A0A3Q0KL27_SCHMA Loading...

P-type Ca(2+) transporter

AlphaFold DB , UniProt , Accession A0A3Q0KL27, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,025 aa.

						>A0A3Q0KL27_SCHMA|A0A3Q0KL27
MITGGQAHINARDAAVKSVEELASYFKVDLKTGLDHTEAQHRLKLCGPNELKHPNPDPLYKKYLEQFKEPMILLLLSSACISLIMKQYDDTISITVAVLIVVTVAFIQSYRSEKVLEALQKLMPPKCSCLRGGEMHTFLASYLVPGDIVCLSVGDRLPADLRLFDLTDLRMDESSLTGETEAVPKSSEVLCTHFPISNTSEVRFSSTQNVNIGDNKAVERLRGCHDLINIGFMGTLVCSGTGKGLVIGTGEHSEFGEVFRMMHSEEAPRTPLQKSMDKLGKHLSAISLIIISSIVIIGLFQGRHILELLTIGVSLAVAAIPEGLPIVVTVTLAIGQMRMAARNAIVRRLPAVETLGCVNVVCSDKTGTMTKNEMTVSHIVTGSLERYTIPIEQANKHTDTACVKLDINYANHTNYLTVSSAATANTTIKLDNASLLNKLMSNHITHYQMSANARSASFDELRTPYYYPPSLDSIIQIGCICNNATIRDNQLFGQPTEGALLRLTAQFHALDERAFYTRLQEWPFSSESKLMIVKCVRNNQPSTDEPVYFAKGAVDQLLDRCAFTSLSNDSAISMQSSPSDSHSHMLSNRSSNNSSIKPMDLETRKAILNEASILGNLGLRVLALAKGTNSEQMIFHGLVGLIDPPRPGVNSCIRILCESGVRVIMITGDAKETACTIGSRLSLYRPGDLCLSGEEVERISVEQLMSVVRNVTVFYRSGPKHKCKIVKALQQSNLVVAMTGDGVNDAIALKSSDIGIAMGRTGTDVCREAADIVLLDDNFATILAAMEEGKALFHNIKNFIGFQLSTSIAALTLIALSTLLSLPSPLNAMQILFINILMDGPPAQSLGVEPPDPHVVRQPPRRANDSILDGRLMFNVLTASSLIVSGTLWIFFRELSDNKVTPHDTTMTFTCFVLFDMFNALSFRSQNKSIFSLGFFSNRLFVLAVGLSLFGQLLVIYFPPLQAVFQTEALTLKDLVLLVCLTSSVFFVSELRKLVRIRSDVYFWATYFLSFMKLPRRVKMDDNMV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.9	Very low	64.3	Low	172 Å²	172	56.8 Å²	56.8	85%	0.847	35%	0.354	S	S	*	.				0	136.8	0	-68.2	177.4	-178.8	0	0	108.7
2	I	53.5	Low	65.7	Low	21 Å²	21	59.7 Å²	59.7	11%	0.108	35%	0.354	C	S	.	.			trans	-81.4	129.1	175.3	-60.3	174.5	0	0	0	107.4	Q6 A7 F26	I2-Q6 HydrophobicContact CG2-CB 3.92Å; I2-A7 HydrophobicContact CG2-CB 4.39Å; I2-F26 HydrophobicContact CD1-CD1 4.34Å
3	T	49	Very low	67.1	Low	97 Å²	97	62.2 Å²	62.2	60%	0.595	36%	0.364	S	S	*	.			trans	-81	141	174.5	48.4	0	0	0	0	110	G5 Q6	T3-G5 PolarHBondContact O-N 3.33Å; T3-Q6 PolarHBondContact O-N 3.11Å
4	G	47.1	Very low	68.5	Low	46 Å²	46	57.7 Å²	57.7	47%	0.474	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-51	-23.7	-164.3	0	0	0	0	0	118.2
5	G	47	Very low	69.6	Low	82 Å²	82	53.9 Å²	53.9	85%	0.845	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-78.8	-12.7	174.7	0	0	0	0	0	115.6	T3	T3-G5 PolarHBondContact O-N 3.33Å
6	Q	54.6	Low	70.7	Confident	106 Å²	106	54.2 Å²	54.2	50%	0.495	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-103.2	4.4	-179.9	-76.2	-176.7	-22.4	0	0	113.2	I2 T3 H8 Y25	I2-Q6 HydrophobicContact CG2-CB 3.92Å; T3-Q6 PolarHBondContact O-N 3.11Å; Q6-H8 VanDerWaalsContact C-N 3.32Å; Q6-H8 PolarHBondContact O-N 3.3Å; Q6-Y25 VanDerWaalsContact O-CE1 3.32Å; Q6-Y25 WeakPolarHBondContact O-CE1 3.49Å; Q6-Y25 PolarHBondContact O-OH 3.15Å
7	A	72.9	Confident	71.5	Confident	7 Å²	7	55.4 Å²	55.4	6%	0.058	32%	0.319	C	S	.	.	S	Bend	trans	-76.8	-14.6	-172	0	0	0	0	0	114.3	I2 F26 C46 P145	I2-A7 HydrophobicContact CG2-CB 4.39Å; A7-F26 VanDerWaalsContact O-CE1 3.29Å; A7-F26 WeakPolarHBondContact O-CE1 3.49Å; A7-C46 VanDerWaalsContact CB-SG 3.56Å; A7-P145 WeakPolarHBondContact O-CB 3.27Å; A7-P145 WeakPolarHBondContact O-CG 3.2Å
8	H	82.8	Confident	72.5	Confident	36 Å²	36	53.8 Å²	53.8	17%	0.167	31%	0.311	C	S	.	.			trans	-123.8	153.7	179.6	-60.9	-74.4	0	0	0	111.2	Q6 P145 I247 T249 H252	Q6-H8 VanDerWaalsContact C-N 3.32Å; Q6-H8 PolarHBondContact O-N 3.3Å; H8-P145 WeakPolarHBondContact CE1-CG 3.43Å; H8-P145 VanDerWaalsContact ND1-CG 3.33Å; H8-P145 WeakPolarHBondContact ND1-CG 3.48Å; H8-I247 WeakPolarHBondContact CA-O 3.45Å; H8-T249 PolarHBondContact CE1-OG1 3.48Å; H8-H252 HydrophobicContact CB-CB 4.19Å; H8-H252 AromaticContact CD2-CD2 3.35Å; H8-H252 PolarHBondContact CD2-CD2 3.24Å; H8-H252 AromaticContact CD2-CG 3.7Å; H8-H252 AromaticContact CG-CG 3.98Å; H8-H252 AromaticContact NE2-CD2 3.4Å; H8-H252 PolarHBondContact NE2-CD2 2.91Å
9	I	86.3	Confident	73.3	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.087	30%	0.298	C	S	.	.			trans	-131.7	138.5	170.8	-169.6	171.4	0	0	0	108.9	D13 A14 K17 L22 F26 I247	I9-D13 HydrophobicContact CD1-CB 4Å; I9-D13 HydrophobicContact CG1-CB 3.81Å; I9-A14 HydrophobicContact CG2-CB 4Å; I9-K17 HydrophobicContact CD1-CD 4.16Å; I9-L22 HydrophobicContact CD1-CD2 3.8Å; I9-L22 HydrophobicContact CG2-CD2 4.16Å; I9-F26 HydrophobicContact CB-CZ 4.49Å; I9-F26 HydrophobicContact CG2-CE2 4.1Å; I9-F26 HydrophobicContact CG2-CZ 3.87Å; I9-I247 HydrophobicContact CG2-CB 3.61Å; I9-I247 HydrophobicContact CG2-CG2 3.73Å; I9-I247 PolarHBondContact N-O 3.02Å; I9-I247 VanDerWaalsContact N-O 3.09Å
10	N	83.1	Confident	74.2	Confident	40 Å²	40	54.7 Å²	54.7	21%	0.214	31%	0.31	C	S	.	.			trans	-65.9	148.8	178	-178.8	-79.5	0	0	0	110.5	R12 D13 A14 E254	N10-R12 VanDerWaalsContact C-N 3.28Å; N10-R12 PolarHBondContact O-N 3.48Å; N10-R12 PolarHBondContact OD1-N 3.33Å; N10-D13 PolarHBondContact O-N 3.29Å; N10-D13 VanDerWaalsContact O-N 3.13Å; N10-A14 PolarHBondContact O-N 2.9Å; N10-E254 PolarHBondContact ND2-OE1 3.17Å; N10-E254 PolarHBondContact OD1-OE1 3.26Å
11	A	84.6	Confident	74.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-53	-40.8	179.9	0	0	0	0	0	113.6	A14 A15 L227 I230 F232 E254	A11-A14 PolarHBondContact O-N 3.12Å; A11-A15 VanDerWaalsContact O-CB 3.31Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 3.08Å; A11-L227 HydrophobicContact CB-CD1 4.11Å; A11-I230 HydrophobicContact CB-CG1 4.48Å; A11-I230 HydrophobicContact CB-CG2 4.13Å; A11-F232 HydrophobicContact CB-CE1 3.94Å; A11-E254 HydrophobicContact CB-CG 3.78Å
12	R	81	Confident	76.9	Confident	91 Å²	91	49.2 Å²	49.2	34%	0.343	28%	0.28	S	S	.	.	H	α-helix	trans	-65.2	-42.9	178.5	-74.1	-171.3	171.9	-173	-5.9	112.7	N10 A14 A15 E219 R220 L227	N10-R12 VanDerWaalsContact C-N 3.28Å; N10-R12 PolarHBondContact O-N 3.48Å; N10-R12 PolarHBondContact OD1-N 3.33Å; R12-A14 VanDerWaalsContact C-N 3.32Å; R12-A15 PolarHBondContact O-N 3.07Å; R12-E219 PolarHBondContact NH2-O 3.38Å; R12-R220 VanDerWaalsContact NH2-CA 3.32Å; R12-R220 PolarHBondContact NH2-O 3.33Å; R12-L227 HydrophobicContact CG-CD1 4.06Å
13	D	84	Confident	78.6	Confident	92 Å²	92	48.6 Å²	48.6	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-72.2	-30.8	-179.9	-63.9	-24.9	0	0	0	111.4	I9 N10 V16 K17	I9-D13 HydrophobicContact CD1-CB 4Å; I9-D13 HydrophobicContact CG1-CB 3.81Å; N10-D13 PolarHBondContact O-N 3.29Å; N10-D13 VanDerWaalsContact O-N 3.13Å; D13-V16 WeakPolarHBondContact O-CG2 3.44Å; D13-K17 WeakPolarHBondContact O-CG 3.5Å
14	A	86	Confident	80.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-71.6	-35	172.9	0	0	0	0	0	112.5	I9 N10 A11 R12 V16 K17 L22 R162 I230 I247	I9-A14 HydrophobicContact CG2-CB 4Å; N10-A14 PolarHBondContact O-N 2.9Å; A11-A14 PolarHBondContact O-N 3.12Å; R12-A14 VanDerWaalsContact C-N 3.32Å; A14-V16 VanDerWaalsContact C-N 3.28Å; A14-V16 PolarHBondContact O-N 3.29Å; A14-K17 PolarHBondContact O-N 2.95Å; A14-L22 HydrophobicContact CB-CD1 4.16Å; A14-R162 WeakPolarHBondContact O-CD 3.25Å; A14-R162 PolarHBondContact O-NE 2.97Å; A14-I230 HydrophobicContact CB-CD1 4Å; A14-I247 HydrophobicContact CB-CD1 3.67Å; A14-I247 HydrophobicContact CB-CG2 4.09Å
15	A	85.6	Confident	82.4	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-29.9	-177.5	0	0	0	0	0	113.3	A11 R12 L190 L227 N229 I230	A11-A15 VanDerWaalsContact O-CB 3.31Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 3.08Å; R12-A15 PolarHBondContact O-N 3.07Å; A15-L190 HydrophobicContact CB-CD1 4.16Å; A15-L190 PolarHBondContact O-N 3.44Å; A15-L190 VanDerWaalsContact O-N 3.08Å; A15-L227 HydrophobicContact CB-CD2 3.76Å; A15-N229 WeakPolarHBondContact CA-OD1 3.34Å; A15-N229 VanDerWaalsContact CB-OD1 3.28Å; A15-N229 WeakPolarHBondContact CB-OD1 3.23Å; A15-N229 PolarHBondContact O-ND2 3.46Å; A15-I230 HydrophobicContact CB-CD1 4.26Å; A15-I230 HydrophobicContact CB-CG1 4Å
16	V	86.4	Confident	84.3	Confident	58 Å²	58	46 Å²	46	35%	0.352	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.3	178.4	-59.6	0	0	0	0	113.8	D13 A14 V189 T192	D13-V16 WeakPolarHBondContact O-CG2 3.44Å; A14-V16 VanDerWaalsContact C-N 3.28Å; A14-V16 PolarHBondContact O-N 3.29Å; V16-V189 VanDerWaalsContact C-CG1 3.43Å; V16-V189 VanDerWaalsContact O-CG1 3.23Å; V16-V189 WeakPolarHBondContact O-CG1 3.31Å; V16-T192 HydrophobicContact CG1-CG2 4.32Å
17	K	85.5	Confident	85.9	Confident	74 Å²	74	48 Å²	48	32%	0.322	24%	0.239	S	C	.	.	S	Bend	trans	-108.4	151.1	178.2	-70.1	-178.9	-179.7	-179.8	0	111.7	I9 D13 A14 L22 R162	I9-K17 HydrophobicContact CD1-CD 4.16Å; D13-K17 WeakPolarHBondContact O-CG 3.5Å; A14-K17 PolarHBondContact O-N 2.95Å; K17-L22 HydrophobicContact CB-CD1 4.24Å; K17-L22 HydrophobicContact CB-CD2 4.43Å; K17-L22 HydrophobicContact CB-CG 4.06Å; K17-L22 HydrophobicContact CD-CD2 4.18Å; K17-R162 PolarHBondContact O-NE 3.46Å; K17-R162 PolarHBondContact O-NH2 3.43Å
18	S	88.3	Confident	86.7	Confident	27 Å²	27	48.4 Å²	48.4	19%	0.189	24%	0.24	C	C	.	.			trans	-71.6	158.7	171.5	88.2	0	0	0	0	111	E20 E21 L22	S18-E20 WeakPolarHBondContact CB-OE2 3.34Å; S18-E20 PolarHBondContact O-N 3.38Å; S18-E20 PolarHBondContact OG-N 3.01Å; S18-E20 PolarHBondContact OG-OE2 3.45Å; S18-E20 VanDerWaalsContact OG-OE2 3.05Å; S18-E21 PolarHBondContact O-N 2.82Å; S18-E21 WeakPolarHBondContact OG-CG 3.46Å; S18-E21 PolarHBondContact OG-N 3.44Å; S18-E21 VanDerWaalsContact OG-N 3.16Å; S18-L22 PolarHBondContact O-N 3.48Å; S18-L22 VanDerWaalsContact O-N 3.14Å
19	V	89	Confident	87.1	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-32.4	179.9	-179.4	0	0	0	0	109.9	L22 A23 L30 R162 F164	V19-L22 PolarHBondContact O-N 3.36Å; V19-A23 VanDerWaalsContact O-CB 3.27Å; V19-A23 WeakPolarHBondContact O-CB 3.49Å; V19-A23 PolarHBondContact O-N 2.71Å; V19-L30 HydrophobicContact CG1-CD1 3.79Å; V19-L30 HydrophobicContact CG1-CD2 3.7Å; V19-L30 HydrophobicContact CG1-CG 4.42Å; V19-R162 HydrophobicContact CG2-CG 4.11Å; V19-F164 HydrophobicContact CB-CB 4.31Å; V19-F164 HydrophobicContact CG1-CB 3.84Å; V19-F164 HydrophobicContact CG1-CD1 3.82Å; V19-F164 HydrophobicContact CG1-CD2 4.48Å; V19-F164 HydrophobicContact CG1-CE1 4.48Å; V19-F164 HydrophobicContact CG1-CG 3.82Å; V19-F164 HydrophobicContact CG2-CB 3.76Å
20	E	90.2	Very high	87.2	Confident	117 Å²	117	51.6 Å²	51.6	55%	0.547	26%	0.259	S	S	.	.	H	α-helix	trans	-68.9	-38.3	176.9	-59.8	72.5	-156.8	0	0	112.2	S18 A23 S24	S18-E20 WeakPolarHBondContact CB-OE2 3.34Å; S18-E20 PolarHBondContact O-N 3.38Å; S18-E20 PolarHBondContact OG-N 3.01Å; S18-E20 PolarHBondContact OG-OE2 3.45Å; S18-E20 VanDerWaalsContact OG-OE2 3.05Å; E20-A23 PolarHBondContact O-N 3.27Å; E20-S24 WeakPolarHBondContact O-CB 3.29Å; E20-S24 PolarHBondContact O-N 3.45Å; E20-S24 PolarHBondContact O-OG 3.34Å
21	E	89.3	Confident	87.5	Confident	112 Å²	112	58.1 Å²	58.1	52%	0.523	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-42.7	173.4	-76.1	178.6	176.3	0	0	111.1	S18 S24 Y25	S18-E21 PolarHBondContact O-N 2.82Å; S18-E21 WeakPolarHBondContact OG-CG 3.46Å; S18-E21 PolarHBondContact OG-N 3.44Å; S18-E21 VanDerWaalsContact OG-N 3.16Å; E21-S24 PolarHBondContact O-N 3.43Å; E21-Y25 WeakPolarHBondContact O-CB 3.32Å; E21-Y25 PolarHBondContact O-N 3.02Å
22	L	88.9	Confident	87.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.3	-39.4	176.7	-70	165.6	0	0	0	111.7	I9 A14 K17 S18 V19 S24 Y25 F26 R162 L245	I9-L22 HydrophobicContact CD1-CD2 3.8Å; I9-L22 HydrophobicContact CG2-CD2 4.16Å; A14-L22 HydrophobicContact CB-CD1 4.16Å; K17-L22 HydrophobicContact CB-CD1 4.24Å; K17-L22 HydrophobicContact CB-CD2 4.43Å; K17-L22 HydrophobicContact CB-CG 4.06Å; K17-L22 HydrophobicContact CD-CD2 4.18Å; S18-L22 PolarHBondContact O-N 3.48Å; S18-L22 VanDerWaalsContact O-N 3.14Å; V19-L22 PolarHBondContact O-N 3.36Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 3.09Å; L22-Y25 WeakPolarHBondContact O-CB 3.31Å; L22-Y25 PolarHBondContact O-N 2.96Å; L22-F26 HydrophobicContact CB-CD2 4.47Å; L22-F26 HydrophobicContact CD2-CE2 4.25Å; L22-F26 WeakPolarHBondContact O-CB 3.22Å; L22-F26 WeakPolarHBondContact O-CD2 3.43Å; L22-F26 PolarHBondContact O-N 2.94Å; L22-R162 HydrophobicContact CD1-CB 3.98Å; L22-R162 HydrophobicContact CD1-CG 3.59Å; L22-L245 HydrophobicContact CB-CD2 3.73Å
23	A	88.9	Confident	88	Confident	8 Å²	8	56.9 Å²	56.9	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-40.8	173.7	0	0	0	0	0	111.3	V19 E20 F26 K27 V28 L30	V19-A23 VanDerWaalsContact O-CB 3.27Å; V19-A23 WeakPolarHBondContact O-CB 3.49Å; V19-A23 PolarHBondContact O-N 2.71Å; E20-A23 PolarHBondContact O-N 3.27Å; A23-F26 CarbonylContact O-C 3.44Å; A23-K27 WeakPolarHBondContact O-CA 3.41Å; A23-K27 PolarHBondContact O-N 3.29Å; A23-V28 HydrophobicContact CB-CG1 4.15Å; A23-V28 PolarHBondContact O-N 2.91Å; A23-L30 HydrophobicContact CB-CD1 4.22Å; A23-L30 HydrophobicContact CB-CD2 3.93Å; A23-L30 HydrophobicContact CB-CG 3.86Å
24	S	88.2	Confident	88.3	Confident	90 Å²	90	52.7 Å²	52.7	63%	0.629	27%	0.266	S	S	*	.	H	α-helix	trans	-67.3	-41.6	174.7	-58.8	0	0	0	0	112.2	E20 E21 L22 K27	E20-S24 WeakPolarHBondContact O-CB 3.29Å; E20-S24 PolarHBondContact O-N 3.45Å; E20-S24 PolarHBondContact O-OG 3.34Å; E21-S24 PolarHBondContact O-N 3.43Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 3.09Å; S24-K27 PolarHBondContact O-N 3.02Å
25	Y	87.5	Confident	88.5	Confident	81 Å²	81	56.7 Å²	56.7	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-46.8	175.4	-179.7	-93.4	0	0	0	111.6	Q6 E21 L22 K27	Q6-Y25 VanDerWaalsContact O-CE1 3.32Å; Q6-Y25 WeakPolarHBondContact O-CE1 3.49Å; Q6-Y25 PolarHBondContact O-OH 3.15Å; E21-Y25 WeakPolarHBondContact O-CB 3.32Å; E21-Y25 PolarHBondContact O-N 3.02Å; L22-Y25 WeakPolarHBondContact O-CB 3.31Å; L22-Y25 PolarHBondContact O-N 2.96Å; Y25-K27 VanDerWaalsContact C-N 3.31Å; Y25-K27 PolarHBondContact O-N 3.31Å
26	F	87.4	Confident	88.5	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-83.2	-2.5	178.4	-69.5	-62.6	0	0	0	114.1	I2 A7 I9 L22 A23 V28 R42 P145 L245 I247	I2-F26 HydrophobicContact CD1-CD1 4.34Å; A7-F26 VanDerWaalsContact O-CE1 3.29Å; A7-F26 WeakPolarHBondContact O-CE1 3.49Å; I9-F26 HydrophobicContact CB-CZ 4.49Å; I9-F26 HydrophobicContact CG2-CE2 4.1Å; I9-F26 HydrophobicContact CG2-CZ 3.87Å; L22-F26 HydrophobicContact CB-CD2 4.47Å; L22-F26 HydrophobicContact CD2-CE2 4.25Å; L22-F26 WeakPolarHBondContact O-CB 3.22Å; L22-F26 WeakPolarHBondContact O-CD2 3.43Å; L22-F26 PolarHBondContact O-N 2.94Å; A23-F26 CarbonylContact O-C 3.44Å; F26-V28 VanDerWaalsContact C-N 3.33Å; F26-V28 HydrophobicContact CB-CG1 4.28Å; F26-V28 PolarHBondContact O-N 3.31Å; F26-R42 PolarHBondContact O-NH1 3.02Å; F26-R42 VanDerWaalsContact O-NH1 3.16Å; F26-R42 PolarHBondContact O-NH2 3.25Å; F26-P145 HydrophobicContact CD1-CB 4.37Å; F26-P145 HydrophobicContact CE1-CB 3.99Å; F26-L245 HydrophobicContact CD2-CD2 4.03Å; F26-L245 HydrophobicContact CD2-CG 4.45Å; F26-I247 HydrophobicContact CE2-CG2 4.22Å
27	K	88.9	Confident	88.6	Confident	147 Å²	147	62 Å²	62	64%	0.639	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	49.9	-177.7	-58.3	-176.7	177	-173.1	0	112.4	A23 S24 Y25	A23-K27 WeakPolarHBondContact O-CA 3.41Å; A23-K27 PolarHBondContact O-N 3.29Å; S24-K27 PolarHBondContact O-N 3.02Å; Y25-K27 VanDerWaalsContact C-N 3.31Å; Y25-K27 PolarHBondContact O-N 3.31Å
28	V	89.3	Confident	88.8	Confident	16 Å²	16	60.6 Å²	60.6	10%	0.097	31%	0.31	C	S	.	.			trans	-122.4	144.6	178.9	68.8	0	0	0	0	110.1	A23 F26 G33 L34 G146 I148 L245	A23-V28 HydrophobicContact CB-CG1 4.15Å; A23-V28 PolarHBondContact O-N 2.91Å; F26-V28 VanDerWaalsContact C-N 3.33Å; F26-V28 HydrophobicContact CB-CG1 4.28Å; F26-V28 PolarHBondContact O-N 3.31Å; V28-G33 VanDerWaalsContact CG2-C 3.48Å; V28-L34 HydrophobicContact CB-CD1 4.12Å; V28-L34 HydrophobicContact CG2-CB 4.27Å; V28-L34 HydrophobicContact CG2-CD1 4Å; V28-G146 WeakPolarHBondContact CG2-O 3.48Å; V28-I148 HydrophobicContact CG2-CD1 4.5Å; V28-L245 HydrophobicContact CG1-CD1 3.67Å
29	D	90.8	Very high	88.8	Confident	83 Å²	83	59.4 Å²	59.4	44%	0.444	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-88.8	127.6	168.4	-178.7	-9.9	0	0	0	109.4	K31 T32 G33 I148	D29-K31 PolarHBondContact O-N 3.33Å; D29-K31 PolarHBondContact OD1-N 3.29Å; D29-T32 WeakPolarHBondContact CB-OG1 3.36Å; D29-G33 VanDerWaalsContact O-CA 3.26Å; D29-G33 WeakPolarHBondContact O-CA 3.34Å; D29-G33 PolarHBondContact O-N 3.05Å; D29-I148 WeakPolarHBondContact O-CD1 3.41Å
30	L	89	Confident	88.8	Confident	37 Å²	37	65 Å²	65	19%	0.194	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.8	179.7	-65.2	172.5	0	0	0	113.6	V19 A23 I148 F164	V19-L30 HydrophobicContact CG1-CD1 3.79Å; V19-L30 HydrophobicContact CG1-CD2 3.7Å; V19-L30 HydrophobicContact CG1-CG 4.42Å; A23-L30 HydrophobicContact CB-CD1 4.22Å; A23-L30 HydrophobicContact CB-CD2 3.93Å; A23-L30 HydrophobicContact CB-CG 3.86Å; L30-I148 HydrophobicContact CD2-CD1 4.44Å; L30-I148 WeakPolarHBondContact O-CD1 3.39Å; L30-F164 HydrophobicContact CB-CE2 4.36Å; L30-F164 HydrophobicContact CD2-CE1 4.04Å; L30-F164 HydrophobicContact CD2-CE2 4.13Å; L30-F164 HydrophobicContact CD2-CZ 3.81Å
31	K	87.9	Confident	88.7	Confident	178 Å²	178	62.6 Å²	62.6	77%	0.774	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-34.2	-178.7	-68.8	-175.5	179	179.8	0	114	D29 L130	D29-K31 PolarHBondContact O-N 3.33Å; D29-K31 PolarHBondContact OD1-N 3.29Å; K31-L130 WeakPolarHBondContact O-CD2 3.48Å
32	T	87.6	Confident	88.8	Confident	59 Å²	59	57.8 Å²	57.8	36%	0.362	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-16	-179.3	61.6	0	0	0	0	112.7	D29 R131 G132 G133	D29-T32 WeakPolarHBondContact CB-OG1 3.36Å; T32-R131 CarbonylContact O-C 3.59Å; T32-G132 CarbonylContact O-C 3.45Å; T32-G132 PolarHBondContact O-N 3.29Å; T32-G132 VanDerWaalsContact O-N 3.08Å; T32-G133 PolarHBondContact O-N 3.28Å
33	G	90.4	Very high	88.8	Confident	6 Å²	6	59.9 Å²	59.9	6%	0.062	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	68.4	-163.9	-171.4	0	0	0	0	0	112.7	V28 D29 L130	V28-G33 VanDerWaalsContact CG2-C 3.48Å; D29-G33 VanDerWaalsContact O-CA 3.26Å; D29-G33 WeakPolarHBondContact O-CA 3.34Å; D29-G33 PolarHBondContact O-N 3.05Å; G33-L130 WeakPolarHBondContact CA-O 2.92Å
34	L	90.2	Very high	88.6	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.021	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-79.2	147.3	-175.2	-154.7	73.2	0	0	0	111	V28 E38 A39 R131 G132 V144	V28-L34 HydrophobicContact CB-CD1 4.12Å; V28-L34 HydrophobicContact CG2-CB 4.27Å; V28-L34 HydrophobicContact CG2-CD1 4Å; L34-E38 HydrophobicContact CD1-CG 4.07Å; L34-E38 HydrophobicContact CD2-CG 4.27Å; L34-E38 HydrophobicContact CG-CB 4.35Å; L34-E38 HydrophobicContact CG-CG 4.17Å; L34-A39 HydrophobicContact CD2-CB 3.91Å; L34-R131 CarbonylContact O-C 3.54Å; L34-R131 WeakPolarHBondContact O-CA 3.27Å; L34-R131 VanDerWaalsContact O-CB 3.28Å; L34-R131 WeakPolarHBondContact O-CB 3.23Å; L34-G132 PolarHBondContact O-N 3.05Å; L34-V144 HydrophobicContact CD2-CG2 3.84Å
35	D	89	Confident	88.5	Confident	84 Å²	84	68 Å²	68	45%	0.449	33%	0.331	S	S	.	.			trans	-72.3	147.4	170.4	-179.1	46.2	0	0	0	111.3	T37 E38 A39	D35-T37 VanDerWaalsContact C-N 3.27Å; D35-T37 PolarHBondContact O-N 3.19Å; D35-T37 WeakPolarHBondContact OD2-CB 3.36Å; D35-T37 PolarHBondContact OD2-N 3.26Å; D35-T37 PolarHBondContact OD2-OG1 2.7Å; D35-E38 PolarHBondContact O-N 3.38Å; D35-A39 PolarHBondContact O-N 2.71Å
36	H	87.2	Confident	88.4	Confident	72 Å²	72	65.9 Å²	65.9	33%	0.333	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-35.8	-178.6	-88.9	-72.5	0	0	0	112.6	A39 Q40 H136	H36-A39 PolarHBondContact O-N 3.42Å; H36-Q40 PolarHBondContact O-N 3.5Å; H36-Q40 VanDerWaalsContact O-N 3.12Å; H36-H136 AromaticContact CE1-CD2 3.9Å; H36-H136 AromaticContact CE1-NE2 3.76Å; H36-H136 AromaticContact NE2-CD2 3.51Å; H36-H136 AromaticContact NE2-CE1 3.59Å; H36-H136 AromaticContact NE2-NE2 3.01Å; H36-H136 PolarHBondContact NE2-NE2 3.33Å
37	T	88.4	Confident	88.3	Confident	99 Å²	99	66.8 Å²	66.8	61%	0.607	34%	0.336	S	S	*	.	H	α-helix	trans	-70.2	-41.2	-179.5	67.9	0	0	0	0	111.7	D35 Q40 H41	D35-T37 VanDerWaalsContact C-N 3.27Å; D35-T37 PolarHBondContact O-N 3.19Å; D35-T37 WeakPolarHBondContact OD2-CB 3.36Å; D35-T37 PolarHBondContact OD2-N 3.26Å; D35-T37 PolarHBondContact OD2-OG1 2.7Å; T37-Q40 PolarHBondContact O-N 2.97Å; T37-H41 WeakPolarHBondContact O-CB 3.31Å; T37-H41 PolarHBondContact O-N 3.46Å
38	E	88.7	Confident	88.1	Confident	44 Å²	44	63 Å²	63	21%	0.206	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-38.2	176.2	-179.7	62.4	-167.1	0	0	111.1	L34 D35 Q40 H41 R42	L34-E38 HydrophobicContact CD1-CG 4.07Å; L34-E38 HydrophobicContact CD2-CG 4.27Å; L34-E38 HydrophobicContact CG-CB 4.35Å; L34-E38 HydrophobicContact CG-CG 4.17Å; D35-E38 PolarHBondContact O-N 3.38Å; E38-Q40 PolarHBondContact O-N 2.96Å; E38-H41 PolarHBondContact O-N 3.22Å; E38-H41 IonicContact OE2-ND1 3.7Å; E38-R42 WeakPolarHBondContact O-CG 3.38Å; E38-R42 PolarHBondContact O-N 3.24Å; E38-R42 IonicContact OE1-CZ 3.76Å; E38-R42 IonicContact OE1-NE 2.79Å; E38-R42 PolarHBondContact OE1-NE 3.04Å; E38-R42 IonicContact OE1-NH2 3.39Å; E38-R42 PolarHBondContact OE1-NH2 3.41Å; E38-R42 VanDerWaalsContact OE1-NH2 3.09Å
39	A	88.4	Confident	88	Confident	3 Å²	3	62.9 Å²	62.9	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-47	174.5	0	0	0	0	0	111.9	L34 D35 H36 H41 R42 L43 V144	L34-A39 HydrophobicContact CD2-CB 3.91Å; D35-A39 PolarHBondContact O-N 2.71Å; H36-A39 PolarHBondContact O-N 3.42Å; A39-H41 VanDerWaalsContact C-N 3.33Å; A39-H41 PolarHBondContact O-N 2.95Å; A39-R42 PolarHBondContact O-N 2.95Å; A39-L43 WeakPolarHBondContact O-CB 3.46Å; A39-L43 PolarHBondContact O-N 3.32Å; A39-V144 HydrophobicContact CB-CG2 4.31Å
40	Q	88.9	Confident	87.3	Confident	126 Å²	126	63.7 Å²	63.7	59%	0.589	33%	0.327	S	S	*	.	H	α-helix	trans	-64.9	-36.8	176.1	-73.7	-174.7	-1.1	0	0	112.7	H36 T37 E38 L43 K44	H36-Q40 PolarHBondContact O-N 3.5Å; H36-Q40 VanDerWaalsContact O-N 3.12Å; T37-Q40 PolarHBondContact O-N 2.97Å; E38-Q40 PolarHBondContact O-N 2.96Å; Q40-L43 PolarHBondContact O-N 2.94Å; Q40-K44 PolarHBondContact O-N 3.3Å
41	H	88.9	Confident	86.3	Confident	66 Å²	66	63.4 Å²	63.4	31%	0.306	33%	0.325	S	S	.	.	H	α-helix	trans	-64.8	-45.2	176.1	178.7	-108.5	0	0	0	111.5	T37 E38 A39 L43 K44 L45	T37-H41 WeakPolarHBondContact O-CB 3.31Å; T37-H41 PolarHBondContact O-N 3.46Å; E38-H41 PolarHBondContact O-N 3.22Å; E38-H41 IonicContact OE2-ND1 3.7Å; A39-H41 VanDerWaalsContact C-N 3.33Å; A39-H41 PolarHBondContact O-N 2.95Å; H41-L43 VanDerWaalsContact C-N 3.33Å; H41-L43 PolarHBondContact O-N 3.46Å; H41-K44 PolarHBondContact O-N 2.95Å; H41-L45 WeakPolarHBondContact CE1-CD1 3.5Å; H41-L45 PolarHBondContact O-N 3.43Å
42	R	90.1	Very high	85	Confident	11 Å²	11	62.2 Å²	62.2	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-37.1	175.1	-70.9	-177.3	-167.8	-169.7	4.4	112.6	F26 E38 A39 K44 L45 C46 V144 P145	F26-R42 PolarHBondContact O-NH1 3.02Å; F26-R42 VanDerWaalsContact O-NH1 3.16Å; F26-R42 PolarHBondContact O-NH2 3.25Å; E38-R42 WeakPolarHBondContact O-CG 3.38Å; E38-R42 PolarHBondContact O-N 3.24Å; E38-R42 IonicContact OE1-CZ 3.76Å; E38-R42 IonicContact OE1-NE 2.79Å; E38-R42 PolarHBondContact OE1-NE 3.04Å; E38-R42 IonicContact OE1-NH2 3.39Å; E38-R42 PolarHBondContact OE1-NH2 3.41Å; E38-R42 VanDerWaalsContact OE1-NH2 3.09Å; A39-R42 PolarHBondContact O-N 2.95Å; R42-K44 VanDerWaalsContact C-N 3.28Å; R42-K44 PolarHBondContact O-N 3.35Å; R42-L45 PolarHBondContact O-N 3.39Å; R42-L45 VanDerWaalsContact O-N 3.1Å; R42-C46 WeakPolarHBondContact O-CB 3.48Å; R42-C46 PolarHBondContact O-N 2.99Å; R42-C46 PolarHBondContact O-SG 2.88Å; R42-C46 VanDerWaalsContact O-SG 3.36Å; R42-V144 HydrophobicContact CB-CB 3.86Å; R42-V144 HydrophobicContact CB-CG1 3.98Å; R42-V144 HydrophobicContact CB-CG2 4Å; R42-P145 WeakPolarHBondContact CD-O 3.48Å; R42-P145 PolarHBondContact NH1-O 3.16Å
43	L	88.4	Confident	83.5	Confident	44 Å²	44	64.7 Å²	64.7	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-38.7	177.1	-174.1	67.8	0	0	0	111.4	A39 Q40 H41 L45 G47 P48 Y142 V144	A39-L43 WeakPolarHBondContact O-CB 3.46Å; A39-L43 PolarHBondContact O-N 3.32Å; Q40-L43 PolarHBondContact O-N 2.94Å; H41-L43 VanDerWaalsContact C-N 3.33Å; H41-L43 PolarHBondContact O-N 3.46Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-G47 CarbonylContact O-C 3.33Å; L43-G47 WeakPolarHBondContact O-CA 3.44Å; L43-G47 PolarHBondContact O-N 3.27Å; L43-P48 HydrophobicContact CD1-CB 4.48Å; L43-Y142 HydrophobicContact CD1-CD1 4.48Å; L43-Y142 HydrophobicContact CD2-CD1 3.79Å; L43-Y142 HydrophobicContact CD2-CE1 4.44Å; L43-V144 HydrophobicContact CB-CG1 3.91Å; L43-V144 HydrophobicContact CD1-CG1 4.15Å
44	K	86.6	Confident	81.8	Confident	181 Å²	181	69.8 Å²	69.8	79%	0.787	36%	0.359	S	S	*	.	H	α-helix	trans	-69.1	-31.2	175.1	-69.7	178.7	-176.6	177.5	0	113.1	Q40 H41 R42	Q40-K44 PolarHBondContact O-N 3.3Å; H41-K44 PolarHBondContact O-N 2.95Å; R42-K44 VanDerWaalsContact C-N 3.28Å; R42-K44 PolarHBondContact O-N 3.35Å
45	L	85.5	Confident	80	Confident	88 Å²	88	77 Å²	77	46%	0.461	40%	0.398	S	S	.	.	H	α-helix	trans	-83	-48.1	-178.5	-76.7	168.1	0	0	0	113.1	H41 R42 L43	H41-L45 WeakPolarHBondContact CE1-CD1 3.5Å; H41-L45 PolarHBondContact O-N 3.43Å; R42-L45 PolarHBondContact O-N 3.39Å; R42-L45 VanDerWaalsContact O-N 3.1Å; L43-L45 VanDerWaalsContact C-N 3.34Å
46	C	84	Confident	78.8	Confident	36 Å²	36	77.8 Å²	77.8	24%	0.243	41%	0.408	C	S	.	.	H	α-helix	trans	-88.1	-21.6	-174.8	-48.7	0	0	0	0	111.9	A7 R42	A7-C46 VanDerWaalsContact CB-SG 3.56Å; R42-C46 WeakPolarHBondContact O-CB 3.48Å; R42-C46 PolarHBondContact O-N 2.99Å; R42-C46 PolarHBondContact O-SG 2.88Å; R42-C46 VanDerWaalsContact O-SG 3.36Å
47	G	85.3	Confident	78	Confident	19 Å²	19	77.9 Å²	77.9	20%	0.196	41%	0.41	C	S	.	.			trans	84.3	173.5	-169	0	0	0	0	0	112.4	L43	L43-G47 CarbonylContact O-C 3.33Å; L43-G47 WeakPolarHBondContact O-CA 3.44Å; L43-G47 PolarHBondContact O-N 3.27Å
48	P	85.9	Confident	77.6	Confident	67 Å²	67	75.7 Å²	75.7	44%	0.435	40%	0.398	S	S	.	.			trans	-65.5	151.8	174.8	28.9	-33.9	0	0	0	111.3	L43 E50 S141	L43-P48 HydrophobicContact CD1-CB 4.48Å; P48-E50 HydrophobicContact CB-CG 4.36Å; P48-E50 PolarHBondContact O-N 2.8Å; P48-S141 CarbonylContact C-O 3.55Å; P48-S141 VanDerWaalsContact CA-O 3.27Å; P48-S141 WeakPolarHBondContact CA-O 3.34Å; P48-S141 WeakPolarHBondContact CB-O 3.3Å
49	N	86	Confident	77.3	Confident	13 Å²	13	77.9 Å²	77.9	7%	0.07	41%	0.411	C	S	.	.	S	Bend	trans	-74.3	65.6	170.8	178.7	36.5	0	0	0	110.4	A140 S141 L143 P158 T249 G250	N49-A140 WeakPolarHBondContact CB-O 3.44Å; N49-A140 PolarHBondContact ND2-O 3.02Å; N49-S141 PolarHBondContact N-O 3.14Å; N49-L143 HydrophobicContact CB-CB 4.27Å; N49-P158 PolarHBondContact ND2-O 3.23Å; N49-T249 HydrophobicContact CB-CG2 4.33Å; N49-T249 WeakPolarHBondContact OD1-CA 3.42Å; N49-T249 VanDerWaalsContact OD1-CB 3.31Å; N49-T249 WeakPolarHBondContact OD1-CB 3.35Å; N49-G250 PolarHBondContact OD1-N 3.11Å
50	E	77.4	Confident	77.1	Confident	100 Å²	100	85.6 Å²	85.6	47%	0.467	44%	0.441	S	S	.	.	S	Bend	trans	-135.7	149.3	177.3	-67.6	-179.7	179.9	0	0	108.7	P48 S141	P48-E50 HydrophobicContact CB-CG 4.36Å; P48-E50 PolarHBondContact O-N 2.8Å; E50-S141 WeakPolarHBondContact OE1-CB 3.3Å; E50-S141 PolarHBondContact OE1-OG 3.26Å
51	L	68.5	Low	77	Confident	32 Å²	32	83.5 Å²	83.5	17%	0.168	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-81.5	121.3	173.7	-62.3	163.8	0	0	0	107.3	H53 M233 E251 F259	L51-H53 PolarHBondContact O-N 3.29Å; L51-M233 HydrophobicContact CD1-CE 4.47Å; L51-E251 HydrophobicContact CD2-CG 4.38Å; L51-F259 HydrophobicContact CB-CD1 3.94Å; L51-F259 HydrophobicContact CB-CE1 3.59Å; L51-F259 HydrophobicContact CB-CE2 4.33Å; L51-F259 HydrophobicContact CB-CG 4.45Å; L51-F259 HydrophobicContact CB-CZ 3.76Å; L51-F259 HydrophobicContact CD1-CB 4.22Å; L51-F259 HydrophobicContact CD1-CD1 4.09Å; L51-F259 HydrophobicContact CD1-CD2 3.63Å; L51-F259 HydrophobicContact CD1-CE1 4.27Å; L51-F259 HydrophobicContact CD1-CE2 3.76Å; L51-F259 HydrophobicContact CD1-CG 3.74Å; L51-F259 HydrophobicContact CD1-CZ 4.08Å; L51-F259 HydrophobicContact CD2-CB 4.16Å; L51-F259 HydrophobicContact CD2-CD1 3.9Å; L51-F259 HydrophobicContact CD2-CE1 4.44Å; L51-F259 HydrophobicContact CD2-CG 4.05Å; L51-F259 HydrophobicContact CG-CD1 4.19Å; L51-F259 HydrophobicContact CG-CE1 4.3Å; L51-F259 HydrophobicContact CG-CG 4.29Å; L51-F259 HydrophobicContact CG-CZ 4.47Å
52	K	60.3	Low	76.5	Confident	153 Å²	153	82.6 Å²	82.6	67%	0.665	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-67.2	120.1	-172	-73.1	175.9	179.6	165.5	0	110.8	E251	K52-E251 WeakPolarHBondContact CB-OE1 3.23Å
53	H	55.3	Low	76.2	Confident	110 Å²	110	85.2 Å²	85.2	51%	0.509	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-87.1	145.8	164.1	-66.9	-75.7	0	0	0	110.1	L51 N55 E768	L51-H53 PolarHBondContact O-N 3.29Å; H53-N55 PolarHBondContact O-N 2.87Å; H53-E768 IonicContact CE1-OE1 3.76Å
54	P	53.9	Low	76.1	Confident	114 Å²	114	88 Å²	88	74%	0.74	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-60.8	131.6	173.8	23.2	-30.5	0	0	0	110.1
55	N	53.5	Low	75.8	Confident	154 Å²	154	83.3 Å²	83.3	82%	0.824	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-62.3	136.2	178.6	-76.5	-30.5	0	0	0	110.3	H53 D57	H53-N55 PolarHBondContact O-N 2.87Å; N55-D57 PolarHBondContact O-N 2.98Å
56	P	62.9	Low	75.3	Confident	101 Å²	101	80.4 Å²	80.4	66%	0.656	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-63.2	137.9	176.5	24.8	-31.9	0	0	0	110.6
57	D	70.1	Confident	75.2	Confident	74 Å²	74	81.3 Å²	81.3	40%	0.396	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-57.9	139.9	175	-83.4	-57.8	0	0	0	111.1	N55 K61 K62	N55-D57 PolarHBondContact O-N 2.98Å; D57-K61 IonicContact OD1-NZ 4Å; D57-K61 PolarHBondContact OD1-NZ 2.97Å; D57-K61 IonicContact OD2-NZ 3.38Å; D57-K62 HydrophobicContact CB-CG 4.27Å
58	P	81.8	Confident	74.9	Confident	54 Å²	54	87.6 Å²	87.6	35%	0.351	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-66.2	142.8	-179.4	26.8	-33.4	0	0	0	111.6	Y60 K61 K62	P58-Y60 VanDerWaalsContact C-N 3.28Å; P58-Y60 HydrophobicContact CB-CD1 3.82Å; P58-Y60 HydrophobicContact CB-CE1 3.47Å; P58-Y60 VanDerWaalsContact CB-CE1 3.47Å; P58-Y60 HydrophobicContact CG-CD1 4.3Å; P58-Y60 HydrophobicContact CG-CE1 3.64Å; P58-Y60 PolarHBondContact O-N 2.8Å; P58-Y60 VanDerWaalsContact O-N 3.15Å; P58-K61 HydrophobicContact CG-CB 3.97Å; P58-K61 WeakPolarHBondContact O-CB 3.41Å; P58-K61 PolarHBondContact O-N 2.92Å; P58-K62 PolarHBondContact O-N 2.97Å
59	L	81.4	Confident	74.1	Confident	90 Å²	90	88 Å²	88	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-56.4	-36.3	-171.4	-64.4	176.2	0	0	0	114.2	K61 K62 Y63 Y110	L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-K62 PolarHBondContact O-N 3.16Å; L59-Y63 PolarHBondContact O-N 2.96Å; L59-Y110 HydrophobicContact CD1-CE2 4.39Å; L59-Y110 HydrophobicContact CD2-CD2 3.82Å; L59-Y110 HydrophobicContact CD2-CE2 3.56Å
60	Y	84.8	Confident	73.1	Confident	165 Å²	165	92.3 Å²	92.3	65%	0.647	46%	0.461	S	S	*	.	H	α-helix	trans	-66.3	-33.6	178.6	72.8	-93.7	0	0	0	112.1	P58 Y63 L64	P58-Y60 VanDerWaalsContact C-N 3.28Å; P58-Y60 HydrophobicContact CB-CD1 3.82Å; P58-Y60 HydrophobicContact CB-CE1 3.47Å; P58-Y60 VanDerWaalsContact CB-CE1 3.47Å; P58-Y60 HydrophobicContact CG-CD1 4.3Å; P58-Y60 HydrophobicContact CG-CE1 3.64Å; P58-Y60 PolarHBondContact O-N 2.8Å; P58-Y60 VanDerWaalsContact O-N 3.15Å; Y60-Y63 PolarHBondContact O-N 3.44Å; Y60-L64 HydrophobicContact CD2-CD1 4.33Å; Y60-L64 WeakPolarHBondContact O-CB 3.4Å; Y60-L64 WeakPolarHBondContact O-CG 3.22Å; Y60-L64 PolarHBondContact O-N 3.33Å
61	K	85.8	Confident	72.6	Confident	81 Å²	81	88 Å²	88	35%	0.352	44%	0.441	S	S	.	.	H	α-helix	trans	-69.3	-43.3	177	-177.3	-174	166.3	-160.9	0	109.9	D57 P58 L59 Y63 L64 E65	D57-K61 IonicContact OD1-NZ 4Å; D57-K61 PolarHBondContact OD1-NZ 2.97Å; D57-K61 IonicContact OD2-NZ 3.38Å; P58-K61 HydrophobicContact CG-CB 3.97Å; P58-K61 WeakPolarHBondContact O-CB 3.41Å; P58-K61 PolarHBondContact O-N 2.92Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 2.94Å; K61-Y63 PolarHBondContact O-N 2.99Å; K61-L64 PolarHBondContact O-N 2.61Å; K61-E65 WeakPolarHBondContact CE-OE1 3.48Å; K61-E65 WeakPolarHBondContact O-CG 3.4Å; K61-E65 PolarHBondContact O-N 3.19Å
62	K	78.2	Confident	72.9	Confident	48 Å²	48	86.5 Å²	86.5	21%	0.209	43%	0.433	C	S	.	.	H	α-helix	trans	-58.8	-44	173.4	-72.5	-173.2	169.7	-172.8	0	112.2	D57 P58 L59 E65 F106 E113	D57-K62 HydrophobicContact CB-CG 4.27Å; P58-K62 PolarHBondContact O-N 2.97Å; L59-K62 PolarHBondContact O-N 3.16Å; K62-E65 PolarHBondContact O-N 3.4Å; K62-F106 HydrophobicContact CB-CE2 4.21Å; K62-E113 IonicContact NZ-OE1 2.68Å; K62-E113 PolarHBondContact NZ-OE1 3.08Å; K62-E113 IonicContact NZ-OE2 3.57Å; K62-E113 PolarHBondContact NZ-OE2 3.23Å
63	Y	84.2	Confident	73.6	Confident	65 Å²	65	83.7 Å²	83.7	26%	0.255	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-44.1	176	-174.3	-98.7	0	0	0	112.4	L59 Y60 K61 E65 Q66 F67 V102 T103 F106	L59-Y63 PolarHBondContact O-N 2.96Å; Y60-Y63 PolarHBondContact O-N 3.44Å; K61-Y63 PolarHBondContact O-N 2.99Å; Y63-E65 VanDerWaalsContact C-N 3.34Å; Y63-E65 PolarHBondContact O-N 2.9Å; Y63-Q66 WeakPolarHBondContact O-CB 3.48Å; Y63-Q66 PolarHBondContact O-N 2.86Å; Y63-F67 HydrophobicContact CD1-CE2 4.26Å; Y63-F67 AromaticContact CE1-CE2 3.75Å; Y63-F67 HydrophobicContact CE1-CE2 3.75Å; Y63-V102 HydrophobicContact CE1-CG1 4.41Å; Y63-V102 HydrophobicContact CE2-CG1 3.89Å; Y63-T103 PolarHBondContact OH-OG1 3.44Å; Y63-T103 VanDerWaalsContact OH-OG1 3.08Å; Y63-F106 HydrophobicContact CD2-CB 3.71Å; Y63-F106 AromaticContact CD2-CD1 3.79Å; Y63-F106 HydrophobicContact CD2-CD1 3.79Å; Y63-F106 AromaticContact CD2-CD2 3.87Å; Y63-F106 HydrophobicContact CD2-CD2 3.87Å; Y63-F106 HydrophobicContact CD2-CE1 4.36Å; Y63-F106 HydrophobicContact CD2-CE2 4.43Å; Y63-F106 AromaticContact CD2-CG 3.5Å; Y63-F106 HydrophobicContact CD2-CG 3.5Å; Y63-F106 HydrophobicContact CE2-CB 4.08Å; Y63-F106 HydrophobicContact CE2-CD1 4.38Å; Y63-F106 HydrophobicContact CE2-CG 4.25Å; Y63-F106 HydrophobicContact CG-CD2 4.44Å; Y63-F106 HydrophobicContact CG-CG 4.48Å
64	L	85.8	Confident	74.2	Confident	102 Å²	102	81 Å²	81	53%	0.534	41%	0.414	S	S	.	.	H	α-helix	trans	-69.5	-29.2	178.7	-74	170.4	0	0	0	113.3	Y60 K61 Q66 F67	Y60-L64 HydrophobicContact CD2-CD1 4.33Å; Y60-L64 WeakPolarHBondContact O-CB 3.4Å; Y60-L64 WeakPolarHBondContact O-CG 3.22Å; Y60-L64 PolarHBondContact O-N 3.33Å; K61-L64 PolarHBondContact O-N 2.61Å; L64-Q66 PolarHBondContact O-N 3.44Å; L64-F67 PolarHBondContact O-N 2.86Å
65	E	81.7	Confident	75	Confident	84 Å²	84	76.4 Å²	76.4	39%	0.393	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-28.5	174.6	-84.8	175.9	174.2	0	0	112.5	K61 K62 Y63 F67 K68	K61-E65 WeakPolarHBondContact CE-OE1 3.48Å; K61-E65 WeakPolarHBondContact O-CG 3.4Å; K61-E65 PolarHBondContact O-N 3.19Å; K62-E65 PolarHBondContact O-N 3.4Å; Y63-E65 VanDerWaalsContact C-N 3.34Å; Y63-E65 PolarHBondContact O-N 2.9Å; E65-F67 PolarHBondContact O-N 2.92Å; E65-K68 WeakPolarHBondContact O-CB 3.34Å; E65-K68 PolarHBondContact O-N 3.41Å
66	Q	74.6	Confident	76.3	Confident	27 Å²	27	72 Å²	72	13%	0.126	36%	0.36	C	S	.	.	H	α-helix	trans	-61.5	-30.9	175.5	-159	66.2	28.4	0	0	112.5	Y63 L64 K68 E69 V102 A105	Y63-Q66 WeakPolarHBondContact O-CB 3.48Å; Y63-Q66 PolarHBondContact O-N 2.86Å; L64-Q66 PolarHBondContact O-N 3.44Å; Q66-K68 PolarHBondContact O-N 3.19Å; Q66-E69 PolarHBondContact NE2-OE1 3.14Å; Q66-E69 PolarHBondContact NE2-OE2 2.95Å; Q66-E69 WeakPolarHBondContact O-CB 3.39Å; Q66-E69 PolarHBondContact O-N 3.05Å; Q66-V102 HydrophobicContact CB-CG1 4Å; Q66-V102 HydrophobicContact CG-CG1 4.04Å; Q66-A105 HydrophobicContact CG-CB 4.17Å
67	F	82.5	Confident	77	Confident	54 Å²	54	69.8 Å²	69.8	24%	0.237	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.6	175.5	-75.7	-86	0	0	0	113.7	Y63 L64 E65 E69 I72 L76 V98 V102	Y63-F67 HydrophobicContact CD1-CE2 4.26Å; Y63-F67 AromaticContact CE1-CE2 3.75Å; Y63-F67 HydrophobicContact CE1-CE2 3.75Å; L64-F67 PolarHBondContact O-N 2.86Å; E65-F67 PolarHBondContact O-N 2.92Å; F67-E69 VanDerWaalsContact C-N 3.26Å; F67-I72 HydrophobicContact CD1-CG2 4.03Å; F67-L76 HydrophobicContact CD1-CD1 4.13Å; F67-V98 HydrophobicContact CE1-CG1 4.34Å; F67-V102 HydrophobicContact CD1-CG2 4.14Å; F67-V102 HydrophobicContact CD2-CG1 4.13Å; F67-V102 HydrophobicContact CE1-CG2 3.85Å; F67-V102 HydrophobicContact CE2-CB 4.49Å; F67-V102 HydrophobicContact CE2-CG1 3.68Å; F67-V102 HydrophobicContact CE2-CG2 4.3Å; F67-V102 HydrophobicContact CZ-CB 4.3Å; F67-V102 HydrophobicContact CZ-CG1 3.97Å; F67-V102 HydrophobicContact CZ-CG2 3.94Å
68	K	78.6	Confident	77.1	Confident	152 Å²	152	66.7 Å²	66.7	66%	0.661	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.3	175.6	-63.8	-178	178.5	174.2	0	112.7	E65 Q66	E65-K68 WeakPolarHBondContact O-CB 3.34Å; E65-K68 PolarHBondContact O-N 3.41Å; Q66-K68 PolarHBondContact O-N 3.19Å
69	E	69.4	Low	76.9	Confident	75 Å²	75	64.4 Å²	64.4	35%	0.35	32%	0.316	S	S	.	.	S	Bend	trans	-61.6	133.5	175.8	-75.4	-172.3	162.2	0	0	110.6	Q66 F67 M71 I72 L73	Q66-E69 PolarHBondContact NE2-OE1 3.14Å; Q66-E69 PolarHBondContact NE2-OE2 2.95Å; Q66-E69 WeakPolarHBondContact O-CB 3.39Å; Q66-E69 PolarHBondContact O-N 3.05Å; F67-E69 VanDerWaalsContact C-N 3.26Å; E69-M71 PolarHBondContact O-N 3.14Å; E69-M71 VanDerWaalsContact O-N 3.1Å; E69-I72 HydrophobicContact CB-CG1 4.38Å; E69-I72 PolarHBondContact O-N 2.77Å; E69-I72 VanDerWaalsContact O-N 3.08Å; E69-L73 PolarHBondContact O-N 3.35Å
70	P	65.2	Low	77	Confident	104 Å²	104	63.4 Å²	63.4	68%	0.675	32%	0.316	S	S	*	.	H	α-helix	trans	-54.9	-34.3	-172.8	-27.7	33.6	0	0	0	114.5	L74	P70-L74 WeakPolarHBondContact O-CB 3.43Å; P70-L74 PolarHBondContact O-N 3.43Å
71	M	66.5	Low	76.6	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.044	30%	0.298	C	S	.	.	H	α-helix	trans	-75.7	-37.2	-179.7	-158.5	-165.6	90.1	0	0	112.3	E69 L73 L74 L75 V317 E322	E69-M71 PolarHBondContact O-N 3.14Å; E69-M71 VanDerWaalsContact O-N 3.1Å; M71-L73 VanDerWaalsContact C-N 3.32Å; M71-L74 CarbonylContact O-C 3.48Å; M71-L74 WeakPolarHBondContact O-CA 3.28Å; M71-L74 WeakPolarHBondContact O-CB 3.19Å; M71-L74 PolarHBondContact O-N 2.85Å; M71-L75 HydrophobicContact CE-CD1 3.54Å; M71-L75 HydrophobicContact CE-CG 4.16Å; M71-L75 PolarHBondContact O-N 3.04Å; M71-V317 HydrophobicContact CE-CG1 4.28Å; M71-V317 HydrophobicContact SD-CG1 4.29Å; M71-E322 WeakPolarHBondContact CB-OE1 3.27Å; M71-E322 HydrophobicContact CE-CG 3.84Å; M71-E322 WeakPolarHBondContact CE-OE1 3.49Å; M71-E322 WeakPolarHBondContact CE-OE2 3.49Å; M71-E322 HydrophobicContact SD-CG 3.3Å; M71-E322 WeakPolarHBondContact SD-CG 3.29Å
72	I	73.8	Confident	76	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-39.1	176	-61.2	-153.8	0	0	0	110.4	F67 E69 L74 L75 L76 V98 V102	F67-I72 HydrophobicContact CD1-CG2 4.03Å; E69-I72 HydrophobicContact CB-CG1 4.38Å; E69-I72 PolarHBondContact O-N 2.77Å; E69-I72 VanDerWaalsContact O-N 3.08Å; I72-L74 VanDerWaalsContact C-N 3.26Å; I72-L74 PolarHBondContact O-N 3.22Å; I72-L75 PolarHBondContact O-N 3.41Å; I72-L76 HydrophobicContact CG2-CD1 3.96Å; I72-L76 HydrophobicContact CG2-CG 4.39Å; I72-L76 VanDerWaalsContact O-CB 3.29Å; I72-L76 WeakPolarHBondContact O-CB 3.29Å; I72-L76 VanDerWaalsContact O-CG 3.25Å; I72-L76 WeakPolarHBondContact O-CG 3.4Å; I72-L76 PolarHBondContact O-N 3.49Å; I72-V98 HydrophobicContact CG2-CG1 3.72Å; I72-V102 HydrophobicContact CD1-CB 4.4Å; I72-V102 HydrophobicContact CD1-CG2 3.28Å; I72-V102 HydrophobicContact CG2-CG2 4.18Å
73	L	75.6	Confident	76.3	Confident	94 Å²	94	56.7 Å²	56.7	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-38.7	169.4	-74.4	168.8	0	0	0	111.9	E69 M71 S77	E69-L73 PolarHBondContact O-N 3.35Å; M71-L73 VanDerWaalsContact C-N 3.32Å; L73-S77 WeakPolarHBondContact O-CB 3.39Å; L73-S77 PolarHBondContact O-N 3.3Å
74	L	68.5	Low	76.2	Confident	54 Å²	54	59.9 Å²	59.9	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-68.7	-44.2	177.3	-168.4	141	0	0	0	112.2	P70 M71 I72 S77 S78 V313 A316 V317	P70-L74 WeakPolarHBondContact O-CB 3.43Å; P70-L74 PolarHBondContact O-N 3.43Å; M71-L74 CarbonylContact O-C 3.48Å; M71-L74 WeakPolarHBondContact O-CA 3.28Å; M71-L74 WeakPolarHBondContact O-CB 3.19Å; M71-L74 PolarHBondContact O-N 2.85Å; I72-L74 VanDerWaalsContact C-N 3.26Å; I72-L74 PolarHBondContact O-N 3.22Å; L74-S77 WeakPolarHBondContact O-CB 3.17Å; L74-S77 PolarHBondContact O-N 3.47Å; L74-S77 PolarHBondContact O-OG 3.44Å; L74-S78 PolarHBondContact O-N 2.96Å; L74-V313 HydrophobicContact CD2-CB 4.43Å; L74-V313 HydrophobicContact CD2-CG1 3.96Å; L74-V313 HydrophobicContact CD2-CG2 4.4Å; L74-A316 HydrophobicContact CD1-CB 3.73Å; L74-A316 HydrophobicContact CD2-CB 3.79Å; L74-A316 HydrophobicContact CG-CB 4.45Å; L74-V317 HydrophobicContact CD2-CG2 4.34Å
75	L	70.5	Confident	75.6	Confident	16 Å²	16	58.6 Å²	58.6	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-41.4	173.7	-75.6	177.9	0	0	0	112.1	M71 I72 S77 S78 A79 I94 V98 V317	M71-L75 HydrophobicContact CE-CD1 3.54Å; M71-L75 HydrophobicContact CE-CG 4.16Å; M71-L75 PolarHBondContact O-N 3.04Å; I72-L75 PolarHBondContact O-N 3.41Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.05Å; L75-S78 WeakPolarHBondContact O-CB 3.43Å; L75-S78 PolarHBondContact O-N 2.96Å; L75-S78 VanDerWaalsContact O-N 3.16Å; L75-A79 PolarHBondContact O-N 3.12Å; L75-I94 HydrophobicContact CB-CG2 4.36Å; L75-I94 HydrophobicContact CD2-CG2 4.46Å; L75-V98 HydrophobicContact CB-CG2 3.5Å; L75-V98 HydrophobicContact CD1-CG2 3.74Å; L75-V98 HydrophobicContact CG-CG2 4.27Å; L75-V317 HydrophobicContact CD2-CG2 3.62Å; L75-V317 HydrophobicContact CG-CG2 4.23Å
76	L	80.1	Confident	75.5	Confident	63 Å²	63	62 Å²	62	33%	0.33	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-37.6	173.5	-76.6	168.4	0	0	0	111.5	F67 I72 A79 C80 V98	F67-L76 HydrophobicContact CD1-CD1 4.13Å; I72-L76 HydrophobicContact CG2-CD1 3.96Å; I72-L76 HydrophobicContact CG2-CG 4.39Å; I72-L76 VanDerWaalsContact O-CB 3.29Å; I72-L76 WeakPolarHBondContact O-CB 3.29Å; I72-L76 VanDerWaalsContact O-CG 3.25Å; I72-L76 WeakPolarHBondContact O-CG 3.4Å; I72-L76 PolarHBondContact O-N 3.49Å; L76-A79 PolarHBondContact O-N 2.98Å; L76-C80 WeakPolarHBondContact O-CB 3.47Å; L76-C80 PolarHBondContact O-N 3.07Å; L76-V98 HydrophobicContact CD2-CG1 4.45Å; L76-V98 HydrophobicContact CG-CG1 4.44Å
77	S	77.7	Confident	75.6	Confident	53 Å²	53	65 Å²	65	37%	0.371	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-40	173.7	79.2	0	0	0	0	111.7	L73 L74 L75 C80 I81	L73-S77 WeakPolarHBondContact O-CB 3.39Å; L73-S77 PolarHBondContact O-N 3.3Å; L74-S77 WeakPolarHBondContact O-CB 3.17Å; L74-S77 PolarHBondContact O-N 3.47Å; L74-S77 PolarHBondContact O-OG 3.44Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.05Å; S77-C80 WeakPolarHBondContact O-CB 3.32Å; S77-C80 PolarHBondContact O-N 2.87Å; S77-I81 VanDerWaalsContact O-CG1 3.29Å; S77-I81 WeakPolarHBondContact O-CG1 3.49Å; S77-I81 PolarHBondContact O-N 3.49Å
78	S	71.5	Confident	75.4	Confident	9 Å²	9	68.6 Å²	68.6	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-45.5	173.9	-169.6	0	0	0	0	112.1	L74 L75 C80 I81 S82	L74-S78 PolarHBondContact O-N 2.96Å; L75-S78 WeakPolarHBondContact O-CB 3.43Å; L75-S78 PolarHBondContact O-N 2.96Å; L75-S78 VanDerWaalsContact O-N 3.16Å; S78-C80 VanDerWaalsContact C-N 3.28Å; S78-C80 PolarHBondContact O-N 2.97Å; S78-I81 PolarHBondContact O-N 2.97Å; S78-S82 PolarHBondContact O-N 3.5Å; S78-S82 PolarHBondContact O-OG 3.45Å
79	A	78	Confident	74.9	Confident	6 Å²	6	67.6 Å²	67.6	5%	0.05	35%	0.351	C	S	.	.	H	α-helix	trans	-60.1	-40.4	175.7	0	0	0	0	0	111.3	L75 L76 S82 L83 I94	L75-A79 PolarHBondContact O-N 3.12Å; L76-A79 PolarHBondContact O-N 2.98Å; A79-S82 PolarHBondContact O-N 2.79Å; A79-L83 WeakPolarHBondContact O-CB 3.2Å; A79-L83 PolarHBondContact O-N 2.83Å; A79-I94 HydrophobicContact CB-CB 4.15Å; A79-I94 HydrophobicContact CB-CG2 3.82Å
80	C	83.5	Confident	74.7	Confident	69 Å²	69	67.3 Å²	67.3	47%	0.466	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-42.1	175.9	-168.7	0	0	0	0	111.7	L76 S77 S78 L83 I84	L76-C80 WeakPolarHBondContact O-CB 3.47Å; L76-C80 PolarHBondContact O-N 3.07Å; S77-C80 WeakPolarHBondContact O-CB 3.32Å; S77-C80 PolarHBondContact O-N 2.87Å; S78-C80 VanDerWaalsContact C-N 3.28Å; S78-C80 PolarHBondContact O-N 2.97Å; C80-L83 WeakPolarHBondContact O-CB 3.41Å; C80-L83 PolarHBondContact O-N 3Å; C80-I84 VanDerWaalsContact O-CG1 3.31Å; C80-I84 WeakPolarHBondContact O-CG1 3.38Å; C80-I84 PolarHBondContact O-N 2.96Å
81	I	77.3	Confident	75.2	Confident	55 Å²	55	63 Å²	63	28%	0.282	32%	0.324	S	S	.	.	H	α-helix	trans	-67.1	-44.8	177	-66.5	163.7	0	0	0	111.1	S77 S78 L83 I84 M85 L309	S77-I81 VanDerWaalsContact O-CG1 3.29Å; S77-I81 WeakPolarHBondContact O-CG1 3.49Å; S77-I81 PolarHBondContact O-N 3.49Å; S78-I81 PolarHBondContact O-N 2.97Å; I81-L83 PolarHBondContact O-N 3.38Å; I81-I84 WeakPolarHBondContact O-CB 3.46Å; I81-I84 PolarHBondContact O-N 2.88Å; I81-I84 VanDerWaalsContact O-N 3.15Å; I81-M85 HydrophobicContact CG2-CG 4.38Å; I81-M85 WeakPolarHBondContact O-CG 3.46Å; I81-M85 PolarHBondContact O-N 3.27Å; I81-L309 HydrophobicContact CB-CD2 4.39Å; I81-L309 HydrophobicContact CD1-CD1 3.97Å; I81-L309 HydrophobicContact CD1-CD2 3.7Å; I81-L309 HydrophobicContact CD1-CG 4.4Å; I81-L309 HydrophobicContact CG2-CD2 3.84Å
82	S	73.5	Confident	75.8	Confident	8 Å²	8	67.5 Å²	67.5	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-58.2	-36.3	173.9	-64.8	0	0	0	0	112.1	S78 A79 M85 K86 Q87 T91	S78-S82 PolarHBondContact O-N 3.5Å; S78-S82 PolarHBondContact O-OG 3.45Å; A79-S82 PolarHBondContact O-N 2.79Å; S82-M85 WeakPolarHBondContact O-CB 3.48Å; S82-M85 PolarHBondContact O-N 3.33Å; S82-K86 PolarHBondContact O-N 3.43Å; S82-Q87 PolarHBondContact O-N 3.38Å; S82-T91 VanDerWaalsContact CB-OG1 3.27Å; S82-T91 WeakPolarHBondContact CB-OG1 3.46Å
83	L	82.9	Confident	75.7	Confident	90 Å²	90	70 Å²	70	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-45.1	175.8	-174.4	66.2	0	0	0	111.3	A79 C80 I81 M85 K86 Y88 T91	A79-L83 WeakPolarHBondContact O-CB 3.2Å; A79-L83 PolarHBondContact O-N 2.83Å; C80-L83 WeakPolarHBondContact O-CB 3.41Å; C80-L83 PolarHBondContact O-N 3Å; I81-L83 PolarHBondContact O-N 3.38Å; L83-M85 PolarHBondContact O-N 2.88Å; L83-K86 PolarHBondContact O-N 3.08Å; L83-Y88 HydrophobicContact CD1-CD1 4.24Å; L83-Y88 HydrophobicContact CD1-CE1 4.11Å; L83-T91 WeakPolarHBondContact CA-OG1 3.3Å; L83-T91 HydrophobicContact CB-CG2 3.86Å; L83-T91 HydrophobicContact CD1-CG2 4.05Å; L83-T91 HydrophobicContact CG-CG2 4.45Å; L83-T91 PolarHBondContact N-OG1 3.33Å
84	I	83.9	Confident	75.5	Confident	133 Å²	133	66.9 Å²	66.9	68%	0.682	35%	0.348	S	S	*	.	H	α-helix	trans	-60	-36.2	175.6	-67.7	165	0	0	0	110.5	C80 I81 K86	C80-I84 VanDerWaalsContact O-CG1 3.31Å; C80-I84 WeakPolarHBondContact O-CG1 3.38Å; C80-I84 PolarHBondContact O-N 2.96Å; I81-I84 WeakPolarHBondContact O-CB 3.46Å; I81-I84 PolarHBondContact O-N 2.88Å; I81-I84 VanDerWaalsContact O-N 3.15Å; I84-K86 PolarHBondContact O-N 2.81Å
85	M	73.4	Confident	76	Confident	74 Å²	74	67.5 Å²	67.5	37%	0.365	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.4	177.4	-68.2	-124.9	72.2	0	0	114.7	I81 S82 L83 Q87 L306	I81-M85 HydrophobicContact CG2-CG 4.38Å; I81-M85 WeakPolarHBondContact O-CG 3.46Å; I81-M85 PolarHBondContact O-N 3.27Å; S82-M85 WeakPolarHBondContact O-CB 3.48Å; S82-M85 PolarHBondContact O-N 3.33Å; L83-M85 PolarHBondContact O-N 2.88Å; M85-Q87 PolarHBondContact O-N 2.81Å; M85-L306 HydrophobicContact CE-CD1 3.24Å; M85-L306 HydrophobicContact CE-CD2 3.86Å; M85-L306 HydrophobicContact CE-CG 4.12Å; M85-L306 HydrophobicContact SD-CB 4.3Å; M85-L306 HydrophobicContact SD-CD1 3.55Å; M85-L306 VanDerWaalsContact SD-CD1 3.55Å; M85-L306 HydrophobicContact SD-CD2 3.32Å; M85-L306 WeakPolarHBondContact SD-CD2 3.46Å; M85-L306 HydrophobicContact SD-CG 3.86Å
86	K	79.5	Confident	76.4	Confident	155 Å²	155	70.4 Å²	70.4	67%	0.674	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	23.8	-172.8	-58.4	-178.6	175.9	179.7	0	114.2	S82 L83 I84 Y88	S82-K86 PolarHBondContact O-N 3.43Å; L83-K86 PolarHBondContact O-N 3.08Å; I84-K86 PolarHBondContact O-N 2.81Å; K86-Y88 VanDerWaalsContact C-N 3.34Å; K86-Y88 HydrophobicContact CB-CE2 4.19Å; K86-Y88 WeakPolarHBondContact O-CD2 3.44Å; K86-Y88 PolarHBondContact O-N 3.19Å
87	Q	74.9	Confident	75.8	Confident	90 Å²	90	68 Å²	68	42%	0.421	36%	0.362	S	S	.	.			trans	-86.2	79.9	167.9	-76	175.3	-32.1	0	0	108.6	S82 M85 D89 D90 T91	S82-Q87 PolarHBondContact O-N 3.38Å; M85-Q87 PolarHBondContact O-N 2.81Å; Q87-D89 VanDerWaalsContact C-N 3.3Å; Q87-D89 PolarHBondContact O-N 3.41Å; Q87-D90 HydrophobicContact CB-CB 4.37Å; Q87-T91 PolarHBondContact O-N 3.15Å; Q87-T91 VanDerWaalsContact O-N 3.14Å; Q87-T91 PolarHBondContact O-OG1 2.9Å
88	Y	79.9	Confident	75.7	Confident	130 Å²	130	65.6 Å²	65.6	51%	0.51	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-34.5	-175.9	-63.2	-69	0	0	0	112.5	L83 K86 T91 I92	L83-Y88 HydrophobicContact CD1-CD1 4.24Å; L83-Y88 HydrophobicContact CD1-CE1 4.11Å; K86-Y88 VanDerWaalsContact C-N 3.34Å; K86-Y88 HydrophobicContact CB-CE2 4.19Å; K86-Y88 WeakPolarHBondContact O-CD2 3.44Å; K86-Y88 PolarHBondContact O-N 3.19Å; Y88-T91 PolarHBondContact O-N 3.3Å; Y88-I92 WeakPolarHBondContact O-CB 3.38Å; Y88-I92 VanDerWaalsContact O-CG1 3.29Å; Y88-I92 WeakPolarHBondContact O-CG1 3.44Å; Y88-I92 PolarHBondContact O-N 3.05Å
89	D	68.2	Low	76.3	Confident	132 Å²	132	69.8 Å²	69.8	71%	0.706	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-47.5	-179.8	-61.9	-42.6	0	0	0	111.7	Q87 S93	Q87-D89 VanDerWaalsContact C-N 3.3Å; Q87-D89 PolarHBondContact O-N 3.41Å; D89-S93 VanDerWaalsContact O-CB 3.31Å; D89-S93 WeakPolarHBondContact O-CB 3.21Å; D89-S93 PolarHBondContact O-N 2.71Å; D89-S93 PolarHBondContact O-OG 3.47Å
90	D	63.6	Low	76.2	Confident	68 Å²	68	74.1 Å²	74.1	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-66.2	-40.8	177.1	-64.2	-24.3	0	0	0	111.2	Q87 S93 I94	Q87-D90 HydrophobicContact CB-CB 4.37Å; D90-S93 PolarHBondContact O-N 3.2Å; D90-I94 WeakPolarHBondContact O-CB 3.47Å; D90-I94 WeakPolarHBondContact O-CD1 3.31Å; D90-I94 WeakPolarHBondContact O-CG1 3.34Å; D90-I94 PolarHBondContact O-N 3.3Å
91	T	76	Confident	75.5	Confident	14 Å²	14	71.7 Å²	71.7	9%	0.086	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-48.6	180	-56	0	0	0	0	112	S82 L83 Q87 Y88 S93 T95	S82-T91 VanDerWaalsContact CB-OG1 3.27Å; S82-T91 WeakPolarHBondContact CB-OG1 3.46Å; L83-T91 WeakPolarHBondContact CA-OG1 3.3Å; L83-T91 HydrophobicContact CB-CG2 3.86Å; L83-T91 HydrophobicContact CD1-CG2 4.05Å; L83-T91 HydrophobicContact CG-CG2 4.45Å; L83-T91 PolarHBondContact N-OG1 3.33Å; Q87-T91 PolarHBondContact O-N 3.15Å; Q87-T91 VanDerWaalsContact O-N 3.14Å; Q87-T91 PolarHBondContact O-OG1 2.9Å; Y88-T91 PolarHBondContact O-N 3.3Å; T91-S93 VanDerWaalsContact C-N 3.34Å; T91-T95 WeakPolarHBondContact O-CB 3.49Å; T91-T95 PolarHBondContact O-N 3.05Å; T91-T95 PolarHBondContact O-OG1 2.96Å
92	I	79.9	Confident	75.6	Confident	104 Å²	104	69.1 Å²	69.1	53%	0.533	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-44.6	179.5	-68	167.6	0	0	0	109.5	Y88 T95 V96	Y88-I92 WeakPolarHBondContact O-CB 3.38Å; Y88-I92 VanDerWaalsContact O-CG1 3.29Å; Y88-I92 WeakPolarHBondContact O-CG1 3.44Å; Y88-I92 PolarHBondContact O-N 3.05Å; I92-T95 PolarHBondContact O-N 2.93Å; I92-V96 HydrophobicContact CG2-CG2 4.3Å; I92-V96 WeakPolarHBondContact O-CB 3.42Å; I92-V96 WeakPolarHBondContact O-CG2 3.48Å; I92-V96 PolarHBondContact O-N 3.37Å
93	S	70.5	Confident	75.9	Confident	52 Å²	52	70.8 Å²	70.8	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-49.1	-179.9	-59.2	0	0	0	0	112	D89 D90 T91 T95 V96 A97	D89-S93 VanDerWaalsContact O-CB 3.31Å; D89-S93 WeakPolarHBondContact O-CB 3.21Å; D89-S93 PolarHBondContact O-N 2.71Å; D89-S93 PolarHBondContact O-OG 3.47Å; D90-S93 PolarHBondContact O-N 3.2Å; T91-S93 VanDerWaalsContact C-N 3.34Å; S93-T95 PolarHBondContact O-N 2.72Å; S93-V96 PolarHBondContact O-N 3.39Å; S93-A97 VanDerWaalsContact O-CB 3.3Å; S93-A97 WeakPolarHBondContact O-CB 3.33Å; S93-A97 PolarHBondContact O-N 3.34Å
94	I	71.6	Confident	75.4	Confident	29 Å²	29	69.2 Å²	69.2	15%	0.149	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-41.9	178.3	-63.6	164	0	0	0	110.7	L75 A79 D90 A97 V98	L75-I94 HydrophobicContact CB-CG2 4.36Å; L75-I94 HydrophobicContact CD2-CG2 4.46Å; A79-I94 HydrophobicContact CB-CB 4.15Å; A79-I94 HydrophobicContact CB-CG2 3.82Å; D90-I94 WeakPolarHBondContact O-CB 3.47Å; D90-I94 WeakPolarHBondContact O-CD1 3.31Å; D90-I94 WeakPolarHBondContact O-CG1 3.34Å; D90-I94 PolarHBondContact O-N 3.3Å; I94-A97 PolarHBondContact O-N 3.01Å; I94-V98 HydrophobicContact CG2-CG2 4.34Å; I94-V98 WeakPolarHBondContact O-CG2 3.36Å; I94-V98 PolarHBondContact O-N 3.03Å
95	T	79.3	Confident	74.5	Confident	67 Å²	67	63.3 Å²	63.3	41%	0.411	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-44.3	-178.4	-55.7	0	0	0	0	111.8	T91 I92 S93 V98 L99	T91-T95 WeakPolarHBondContact O-CB 3.49Å; T91-T95 PolarHBondContact O-N 3.05Å; T91-T95 PolarHBondContact O-OG1 2.96Å; I92-T95 PolarHBondContact O-N 2.93Å; S93-T95 PolarHBondContact O-N 2.72Å; T95-V98 PolarHBondContact O-N 2.95Å; T95-L99 PolarHBondContact O-N 2.91Å
96	V	78.3	Confident	74.8	Confident	77 Å²	77	61.6 Å²	61.6	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-42.8	176.2	171.3	0	0	0	0	110.6	I92 S93 L99 I100	I92-V96 HydrophobicContact CG2-CG2 4.3Å; I92-V96 WeakPolarHBondContact O-CB 3.42Å; I92-V96 WeakPolarHBondContact O-CG2 3.48Å; I92-V96 PolarHBondContact O-N 3.37Å; S93-V96 PolarHBondContact O-N 3.39Å; V96-L99 PolarHBondContact O-N 2.84Å; V96-I100 HydrophobicContact CG1-CD1 3.92Å; V96-I100 WeakPolarHBondContact O-CG1 3.25Å; V96-I100 PolarHBondContact O-N 2.67Å
97	A	68.8	Low	74.5	Confident	13 Å²	13	59 Å²	59	11%	0.107	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-50.8	176.1	0	0	0	0	0	111.3	S93 I94 L99 I100 V101 L832	S93-A97 VanDerWaalsContact O-CB 3.3Å; S93-A97 WeakPolarHBondContact O-CB 3.33Å; S93-A97 PolarHBondContact O-N 3.34Å; I94-A97 PolarHBondContact O-N 3.01Å; A97-L99 VanDerWaalsContact C-N 3.31Å; A97-L99 PolarHBondContact O-N 3.03Å; A97-I100 PolarHBondContact O-N 3.49Å; A97-V101 VanDerWaalsContact O-CG2 3.28Å; A97-V101 WeakPolarHBondContact O-CG2 3.49Å; A97-V101 PolarHBondContact O-N 3.37Å; A97-L832 HydrophobicContact CB-CD2 3.74Å
98	V	75.6	Confident	73.8	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-54.9	-46.7	176.2	167.5	0	0	0	0	111.2	F67 I72 L75 L76 I94 T95 I100 V101 V102	F67-V98 HydrophobicContact CE1-CG1 4.34Å; I72-V98 HydrophobicContact CG2-CG1 3.72Å; L75-V98 HydrophobicContact CB-CG2 3.5Å; L75-V98 HydrophobicContact CD1-CG2 3.74Å; L75-V98 HydrophobicContact CG-CG2 4.27Å; L76-V98 HydrophobicContact CD2-CG1 4.45Å; L76-V98 HydrophobicContact CG-CG1 4.44Å; I94-V98 HydrophobicContact CG2-CG2 4.34Å; I94-V98 WeakPolarHBondContact O-CG2 3.36Å; I94-V98 PolarHBondContact O-N 3.03Å; T95-V98 PolarHBondContact O-N 2.95Å; V98-I100 VanDerWaalsContact C-N 3.33Å; V98-I100 PolarHBondContact O-N 3.17Å; V98-V101 PolarHBondContact O-N 2.93Å; V98-V102 HydrophobicContact CG1-CG2 4.1Å; V98-V102 VanDerWaalsContact O-CG2 3.28Å; V98-V102 WeakPolarHBondContact O-CG2 3.27Å; V98-V102 PolarHBondContact O-N 3.41Å
99	L	82.8	Confident	73.1	Confident	97 Å²	97	53.9 Å²	53.9	51%	0.508	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-40.7	-179.1	-172.2	127.1	0	0	0	112.3	T95 V96 A97 T103	T95-L99 PolarHBondContact O-N 2.91Å; V96-L99 PolarHBondContact O-N 2.84Å; A97-L99 VanDerWaalsContact C-N 3.31Å; A97-L99 PolarHBondContact O-N 3.03Å; L99-T103 VanDerWaalsContact O-CB 3.27Å; L99-T103 WeakPolarHBondContact O-CB 3.28Å; L99-T103 PolarHBondContact O-N 3.32Å; L99-T103 PolarHBondContact O-OG1 3.41Å
100	I	77.1	Confident	73.1	Confident	96 Å²	96	51.5 Å²	51.5	49%	0.492	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-48.1	174.5	-67.9	168.9	0	0	0	110	V96 A97 V98 T103 V104	V96-I100 HydrophobicContact CG1-CD1 3.92Å; V96-I100 WeakPolarHBondContact O-CG1 3.25Å; V96-I100 PolarHBondContact O-N 2.67Å; A97-I100 PolarHBondContact O-N 3.49Å; V98-I100 VanDerWaalsContact C-N 3.33Å; V98-I100 PolarHBondContact O-N 3.17Å; I100-T103 PolarHBondContact O-N 3.02Å; I100-V104 HydrophobicContact CG2-CG2 4.26Å; I100-V104 WeakPolarHBondContact O-CB 3.22Å; I100-V104 VanDerWaalsContact O-CG2 3.31Å; I100-V104 WeakPolarHBondContact O-CG2 3.11Å; I100-V104 PolarHBondContact O-N 2.89Å
101	V	68.9	Low	73.2	Confident	19 Å²	19	57.2 Å²	57.2	12%	0.115	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-48.8	-178.7	175	0	0	0	0	111.6	A97 V98 T103 V104 A105 I836	A97-V101 VanDerWaalsContact O-CG2 3.28Å; A97-V101 WeakPolarHBondContact O-CG2 3.49Å; A97-V101 PolarHBondContact O-N 3.37Å; V98-V101 PolarHBondContact O-N 2.93Å; V101-T103 VanDerWaalsContact C-N 3.28Å; V101-T103 PolarHBondContact O-N 3.42Å; V101-V104 PolarHBondContact O-N 2.88Å; V101-A105 WeakPolarHBondContact O-CB 3.38Å; V101-A105 PolarHBondContact O-N 2.98Å; V101-I836 HydrophobicContact CB-CD1 4.2Å; V101-I836 HydrophobicContact CG1-CD1 3.87Å; V101-I836 HydrophobicContact CG2-CD1 3.23Å
102	V	78.5	Confident	72.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-55.6	-46.2	174.9	172.3	0	0	0	0	110.8	Y63 Q66 F67 I72 V98 A105 F106	Y63-V102 HydrophobicContact CE1-CG1 4.41Å; Y63-V102 HydrophobicContact CE2-CG1 3.89Å; Q66-V102 HydrophobicContact CB-CG1 4Å; Q66-V102 HydrophobicContact CG-CG1 4.04Å; F67-V102 HydrophobicContact CD1-CG2 4.14Å; F67-V102 HydrophobicContact CD2-CG1 4.13Å; F67-V102 HydrophobicContact CE1-CG2 3.85Å; F67-V102 HydrophobicContact CE2-CB 4.49Å; F67-V102 HydrophobicContact CE2-CG1 3.68Å; F67-V102 HydrophobicContact CE2-CG2 4.3Å; F67-V102 HydrophobicContact CZ-CB 4.3Å; F67-V102 HydrophobicContact CZ-CG1 3.97Å; F67-V102 HydrophobicContact CZ-CG2 3.94Å; I72-V102 HydrophobicContact CD1-CB 4.4Å; I72-V102 HydrophobicContact CD1-CG2 3.28Å; I72-V102 HydrophobicContact CG2-CG2 4.18Å; V98-V102 HydrophobicContact CG1-CG2 4.1Å; V98-V102 VanDerWaalsContact O-CG2 3.28Å; V98-V102 WeakPolarHBondContact O-CG2 3.27Å; V98-V102 PolarHBondContact O-N 3.41Å; V102-A105 PolarHBondContact O-N 3.47Å; V102-F106 WeakPolarHBondContact O-CB 3.4Å; V102-F106 PolarHBondContact O-N 3.34Å
103	T	81.3	Confident	71.3	Confident	43 Å²	43	56 Å²	56	26%	0.264	29%	0.293	S	S	.	.	H	α-helix	trans	-68.4	-41	-176	-57.3	0	0	0	0	111.4	Y63 L99 I100 V101 F106 I107	Y63-T103 PolarHBondContact OH-OG1 3.44Å; Y63-T103 VanDerWaalsContact OH-OG1 3.08Å; L99-T103 VanDerWaalsContact O-CB 3.27Å; L99-T103 WeakPolarHBondContact O-CB 3.28Å; L99-T103 PolarHBondContact O-N 3.32Å; L99-T103 PolarHBondContact O-OG1 3.41Å; I100-T103 PolarHBondContact O-N 3.02Å; V101-T103 VanDerWaalsContact C-N 3.28Å; V101-T103 PolarHBondContact O-N 3.42Å; T103-F106 PolarHBondContact O-N 3.05Å; T103-I107 HydrophobicContact CG2-CD1 3.93Å; T103-I107 HydrophobicContact CG2-CG1 4.49Å; T103-I107 WeakPolarHBondContact O-CB 3.2Å; T103-I107 VanDerWaalsContact O-CG1 3.25Å; T103-I107 WeakPolarHBondContact O-CG1 3.33Å; T103-I107 PolarHBondContact O-N 3.05Å
104	V	71.7	Confident	70.8	Confident	57 Å²	57	57.8 Å²	57.8	35%	0.345	29%	0.294	S	S	.	.	H	α-helix	trans	-63.4	-46	174.1	171	0	0	0	0	110.6	I100 V101 F106 I107 Q108	I100-V104 HydrophobicContact CG2-CG2 4.26Å; I100-V104 WeakPolarHBondContact O-CB 3.22Å; I100-V104 VanDerWaalsContact O-CG2 3.31Å; I100-V104 WeakPolarHBondContact O-CG2 3.11Å; I100-V104 PolarHBondContact O-N 2.89Å; V101-V104 PolarHBondContact O-N 2.88Å; V104-F106 VanDerWaalsContact C-N 3.34Å; V104-F106 PolarHBondContact O-N 2.89Å; V104-I107 PolarHBondContact O-N 3.4Å; V104-Q108 HydrophobicContact CG1-CG 4.33Å; V104-Q108 WeakPolarHBondContact O-CB 3.48Å; V104-Q108 VanDerWaalsContact O-CG 3.22Å; V104-Q108 WeakPolarHBondContact O-CG 3.39Å; V104-Q108 PolarHBondContact O-N 3.4Å
105	A	65.6	Low	69.8	Low	10 Å²	10	59 Å²	59	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-41	177.7	0	0	0	0	0	112.2	Q66 V101 V102 Q108 S109 I326	Q66-A105 HydrophobicContact CG-CB 4.17Å; V101-A105 WeakPolarHBondContact O-CB 3.38Å; V101-A105 PolarHBondContact O-N 2.98Å; V102-A105 PolarHBondContact O-N 3.47Å; A105-Q108 PolarHBondContact O-N 3.38Å; A105-S109 WeakPolarHBondContact O-CB 3.25Å; A105-S109 PolarHBondContact O-N 3.35Å; A105-S109 PolarHBondContact O-OG 2.9Å; A105-I326 HydrophobicContact CB-CD1 4.48Å
106	F	78	Confident	68.3	Low	37 Å²	37	57.8 Å²	57.8	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-46.7	174	175.5	-102.3	0	0	0	112.5	K62 Y63 V102 T103 V104 Q108 S109 Y110	K62-F106 HydrophobicContact CB-CE2 4.21Å; Y63-F106 HydrophobicContact CD2-CB 3.71Å; Y63-F106 AromaticContact CD2-CD1 3.79Å; Y63-F106 HydrophobicContact CD2-CD1 3.79Å; Y63-F106 AromaticContact CD2-CD2 3.87Å; Y63-F106 HydrophobicContact CD2-CD2 3.87Å; Y63-F106 HydrophobicContact CD2-CE1 4.36Å; Y63-F106 HydrophobicContact CD2-CE2 4.43Å; Y63-F106 AromaticContact CD2-CG 3.5Å; Y63-F106 HydrophobicContact CD2-CG 3.5Å; Y63-F106 HydrophobicContact CE2-CB 4.08Å; Y63-F106 HydrophobicContact CE2-CD1 4.38Å; Y63-F106 HydrophobicContact CE2-CG 4.25Å; Y63-F106 HydrophobicContact CG-CD2 4.44Å; Y63-F106 HydrophobicContact CG-CG 4.48Å; V102-F106 WeakPolarHBondContact O-CB 3.4Å; V102-F106 PolarHBondContact O-N 3.34Å; T103-F106 PolarHBondContact O-N 3.05Å; V104-F106 VanDerWaalsContact C-N 3.34Å; V104-F106 PolarHBondContact O-N 2.89Å; F106-Q108 VanDerWaalsContact C-N 3.26Å; F106-Q108 PolarHBondContact O-N 3.46Å; F106-S109 WeakPolarHBondContact CA-OG 3.35Å; F106-S109 PolarHBondContact O-N 3.05Å; F106-S109 PolarHBondContact O-OG 3.45Å; F106-Y110 WeakPolarHBondContact O-CB 3.5Å; F106-Y110 PolarHBondContact O-N 3.48Å
107	I	73.5	Confident	67.3	Low	100 Å²	100	58 Å²	58	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-41.2	178.4	-72.3	169	0	0	0	110.3	T103 V104 R111	T103-I107 HydrophobicContact CG2-CD1 3.93Å; T103-I107 HydrophobicContact CG2-CG1 4.49Å; T103-I107 WeakPolarHBondContact O-CB 3.2Å; T103-I107 VanDerWaalsContact O-CG1 3.25Å; T103-I107 WeakPolarHBondContact O-CG1 3.33Å; T103-I107 PolarHBondContact O-N 3.05Å; V104-I107 PolarHBondContact O-N 3.4Å; I107-R111 WeakPolarHBondContact O-CB 3.3Å; I107-R111 PolarHBondContact O-N 3.1Å
108	Q	61.7	Low	66.3	Low	62 Å²	62	61.2 Å²	61.2	29%	0.29	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-48.5	178.3	-74.2	172.3	-11.1	0	0	111.6	V104 A105 F106 R111 S112 I326	V104-Q108 HydrophobicContact CG1-CG 4.33Å; V104-Q108 WeakPolarHBondContact O-CB 3.48Å; V104-Q108 VanDerWaalsContact O-CG 3.22Å; V104-Q108 WeakPolarHBondContact O-CG 3.39Å; V104-Q108 PolarHBondContact O-N 3.4Å; A105-Q108 PolarHBondContact O-N 3.38Å; F106-Q108 VanDerWaalsContact C-N 3.26Å; F106-Q108 PolarHBondContact O-N 3.46Å; Q108-R111 PolarHBondContact O-N 3.1Å; Q108-S112 PolarHBondContact O-N 3.05Å; Q108-S112 VanDerWaalsContact O-N 3.14Å; Q108-S112 PolarHBondContact O-OG 2.98Å; Q108-I326 HydrophobicContact CB-CG2 4.25Å; Q108-I326 HydrophobicContact CG-CG2 4.47Å
109	S	63.8	Low	65	Low	52 Å²	52	65 Å²	65	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-44.9	177.9	54	0	0	0	0	112.3	A105 F106 R111 S112 E113	A105-S109 WeakPolarHBondContact O-CB 3.25Å; A105-S109 PolarHBondContact O-N 3.35Å; A105-S109 PolarHBondContact O-OG 2.9Å; F106-S109 WeakPolarHBondContact CA-OG 3.35Å; F106-S109 PolarHBondContact O-N 3.05Å; F106-S109 PolarHBondContact O-OG 3.45Å; S109-R111 PolarHBondContact O-N 2.94Å; S109-S112 WeakPolarHBondContact O-CB 3.2Å; S109-S112 PolarHBondContact O-N 2.81Å; S109-E113 PolarHBondContact O-N 2.84Å
110	Y	69.1	Low	63.1	Low	82 Å²	82	65.3 Å²	65.3	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-42.2	178.6	178.6	-107.9	0	0	0	112.5	L59 F106 S112 E113 K114	L59-Y110 HydrophobicContact CD1-CE2 4.39Å; L59-Y110 HydrophobicContact CD2-CD2 3.82Å; L59-Y110 HydrophobicContact CD2-CE2 3.56Å; F106-Y110 WeakPolarHBondContact O-CB 3.5Å; F106-Y110 PolarHBondContact O-N 3.48Å; Y110-S112 VanDerWaalsContact C-N 3.33Å; Y110-S112 PolarHBondContact O-N 3.3Å; Y110-E113 PolarHBondContact O-N 3.44Å; Y110-K114 HydrophobicContact CD1-CG 4.43Å; Y110-K114 HydrophobicContact CE1-CG 3.9Å; Y110-K114 HydrophobicContact CE2-CG 4.06Å; Y110-K114 PolarHBondContact O-N 2.84Å; Y110-K114 WeakPolarHBondContact OH-CE 3.41Å
111	R	66	Low	61.3	Low	187 Å²	187	69.9 Å²	69.9	71%	0.706	35%	0.351	S	S	*	.	H	α-helix	trans	-65.6	-39.2	178.1	-168.8	178.5	-175.2	-172.4	1.8	111.4	I107 Q108 S109 E113 K114 V115	I107-R111 WeakPolarHBondContact O-CB 3.3Å; I107-R111 PolarHBondContact O-N 3.1Å; Q108-R111 PolarHBondContact O-N 3.1Å; S109-R111 PolarHBondContact O-N 2.94Å; R111-E113 VanDerWaalsContact C-N 3.35Å; R111-K114 PolarHBondContact O-N 3.46Å; R111-V115 WeakPolarHBondContact O-CG2 3.49Å; R111-V115 PolarHBondContact O-N 3.38Å
112	S	54.1	Low	59.9	Low	20 Å²	20	75.4 Å²	75.4	14%	0.14	38%	0.379	C	S	.	.	H	α-helix	trans	-61.7	-41.4	175.1	-69.9	0	0	0	0	112	Q108 S109 Y110 L116	Q108-S112 PolarHBondContact O-N 3.05Å; Q108-S112 VanDerWaalsContact O-N 3.14Å; Q108-S112 PolarHBondContact O-OG 2.98Å; S109-S112 WeakPolarHBondContact O-CB 3.2Å; S109-S112 PolarHBondContact O-N 2.81Å; Y110-S112 VanDerWaalsContact C-N 3.33Å; Y110-S112 PolarHBondContact O-N 3.3Å; S112-L116 WeakPolarHBondContact O-CD1 3.35Å; S112-L116 WeakPolarHBondContact O-CG 3.3Å
113	E	62.2	Low	57.7	Low	73 Å²	73	83.8 Å²	83.8	34%	0.341	42%	0.421	S	S	.	.	H	α-helix	trans	-67	-42.2	175.2	-74.3	-176	149	0	0	113.2	K62 S109 Y110 R111 V115 L116 E117	K62-E113 IonicContact NZ-OE1 2.68Å; K62-E113 PolarHBondContact NZ-OE1 3.08Å; K62-E113 IonicContact NZ-OE2 3.57Å; K62-E113 PolarHBondContact NZ-OE2 3.23Å; S109-E113 PolarHBondContact O-N 2.84Å; Y110-E113 PolarHBondContact O-N 3.44Å; R111-E113 VanDerWaalsContact C-N 3.35Å; E113-V115 VanDerWaalsContact C-N 3.3Å; E113-V115 PolarHBondContact O-N 3.5Å; E113-L116 WeakPolarHBondContact O-CA 3.42Å; E113-L116 WeakPolarHBondContact O-CB 3.1Å; E113-L116 PolarHBondContact O-N 2.88Å; E113-E117 PolarHBondContact O-N 3.05Å
114	K	58.7	Low	56.2	Low	89 Å²	89	85 Å²	85	39%	0.387	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-36.9	-179	-90.2	-75.5	169.9	-141	0	113.6	Y110 R111 L116 E117 A118	Y110-K114 HydrophobicContact CD1-CG 4.43Å; Y110-K114 HydrophobicContact CE1-CG 3.9Å; Y110-K114 HydrophobicContact CE2-CG 4.06Å; Y110-K114 PolarHBondContact O-N 2.84Å; Y110-K114 WeakPolarHBondContact OH-CE 3.41Å; R111-K114 PolarHBondContact O-N 3.46Å; K114-L116 PolarHBondContact O-N 3.12Å; K114-E117 IonicContact NZ-OE2 3.68Å; K114-E117 PolarHBondContact NZ-OE2 3.29Å; K114-A118 PolarHBondContact O-N 3Å
115	V	50.6	Low	55.9	Low	56 Å²	56	86.7 Å²	86.7	34%	0.339	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-33.7	175.1	170.3	0	0	0	0	110.9	R111 E113 M337	R111-V115 WeakPolarHBondContact O-CG2 3.49Å; R111-V115 PolarHBondContact O-N 3.38Å; E113-V115 VanDerWaalsContact C-N 3.3Å; E113-V115 PolarHBondContact O-N 3.5Å; V115-M337 HydrophobicContact CG1-CE 3.42Å; V115-M337 VanDerWaalsContact CG1-CE 3.42Å; V115-M337 HydrophobicContact CG2-CE 4.45Å
116	L	48.8	Very low	56.4	Low	40 Å²	40	93.9 Å²	93.9	21%	0.209	47%	0.471	C	S	.	.	H	α-helix	trans	-74.2	-43.8	179.2	-64.7	162.1	0	0	0	111.9	S112 E113 K114 A118 L119 L349	S112-L116 WeakPolarHBondContact O-CD1 3.35Å; S112-L116 WeakPolarHBondContact O-CG 3.3Å; E113-L116 WeakPolarHBondContact O-CA 3.42Å; E113-L116 WeakPolarHBondContact O-CB 3.1Å; E113-L116 PolarHBondContact O-N 2.88Å; K114-L116 PolarHBondContact O-N 3.12Å; L116-A118 VanDerWaalsContact C-N 3.27Å; L116-A118 PolarHBondContact O-N 3.41Å; L116-L119 PolarHBondContact O-N 2.74Å; L116-L349 HydrophobicContact CD1-CD1 3.73Å; L116-L349 HydrophobicContact CD1-CG 4.26Å; L116-L349 HydrophobicContact CD2-CD1 4.27Å; L116-L349 HydrophobicContact CD2-CD2 4.18Å; L116-L349 HydrophobicContact CD2-CG 4.01Å
117	E	56.2	Low	56.9	Low	82 Å²	82	92.7 Å²	92.7	38%	0.383	47%	0.467	S	S	.	.	H	α-helix	trans	-61.3	-35.1	180	-72.9	-178.2	169.6	0	0	112.6	E113 K114 L119 Q120	E113-E117 PolarHBondContact O-N 3.05Å; K114-E117 IonicContact NZ-OE2 3.68Å; K114-E117 PolarHBondContact NZ-OE2 3.29Å; E117-L119 PolarHBondContact O-N 3.28Å; E117-Q120 PolarHBondContact O-N 3.25Å
118	A	47.4	Very low	57.6	Low	80 Å²	80	89.8 Å²	89.8	66%	0.661	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.6	-178.7	0	0	0	0	0	113.2	K114 L116	K114-A118 PolarHBondContact O-N 3Å; L116-A118 VanDerWaalsContact C-N 3.27Å; L116-A118 PolarHBondContact O-N 3.41Å
119	L	48.2	Very low	59.1	Low	83 Å²	83	86.9 Å²	86.9	44%	0.435	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-13	-179	-70.5	168.7	0	0	0	113.6	L116 E117	L116-L119 PolarHBondContact O-N 2.74Å; E117-L119 PolarHBondContact O-N 3.28Å
120	Q	44.6	Very low	60.4	Low	103 Å²	103	85.1 Å²	85.1	48%	0.481	43%	0.429	S	S	.	.			trans	-102	-0.7	-169.6	-71.4	-175.8	-15.5	0	0	115.2	E117 L122	E117-Q120 PolarHBondContact O-N 3.25Å; Q120-L122 PolarHBondContact O-N 3.37Å
121	K	38.7	Very low	61.5	Low	192 Å²	192	82.1 Å²	82.1	84%	0.835	42%	0.417	S	S	*	.			trans	-81	92	-179.8	-75.4	-173	176.7	-177	0	111.8
122	L	39	Very low	62.5	Low	135 Å²	135	75.6 Å²	75.6	71%	0.707	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-92.6	140.9	162.6	-75.6	158.7	0	0	0	109.6	Q120	Q120-L122 PolarHBondContact O-N 3.37Å
123	M	33	Very low	64	Low	176 Å²	176	76.6 Å²	76.6	87%	0.867	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-77	138.1	-177.8	-72.8	178.6	48.1	0	0	111.6
124	P	48.4	Very low	65.2	Low	69 Å²	69	79.5 Å²	79.5	45%	0.448	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-72.4	144.9	177.4	25.7	-30.8	0	0	0	112.5	L139	P124-L139 HydrophobicContact CG-CD2 4.15Å
125	P	66	Low	66.6	Low	93 Å²	93	80 Å²	80	60%	0.604	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-72.3	154.2	-177.8	28.1	-33.4	0	0	0	113.3	A140	P125-A140 HydrophobicContact CG-CB 4.37Å; P125-A140 WeakPolarHBondContact O-CB 3.29Å; P125-A140 PolarHBondContact O-N 3.08Å
126	K	77.2	Confident	68.4	Low	161 Å²	161	80 Å²	80	70%	0.7	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	154.9	174	-65.2	-178.4	-178.1	179.7	0	110.6	T137 F138 L139	K126-T137 HydrophobicContact CB-CG2 4.43Å; K126-F138 CarbonylContact C-O 3.5Å; K126-F138 VanDerWaalsContact CA-O 3.32Å; K126-F138 WeakPolarHBondContact CA-O 3.25Å; K126-L139 HydrophobicContact CG-CD2 4.32Å
127	C	86.8	Confident	70.2	Confident	12 Å²	12	82.4 Å²	82.4	8%	0.081	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.2	174.4	63.9	0	0	0	0	111.5	T137 F138 L143 P158	C127-T137 VanDerWaalsContact O-CA 3.3Å; C127-T137 WeakPolarHBondContact O-CA 3.2Å; C127-F138 PolarHBondContact N-O 3.2Å; C127-F138 PolarHBondContact O-N 2.92Å; C127-L143 HydrophobicContact CB-CD1 4.15Å; C127-L143 WeakPolarHBondContact SG-CD1 3.41Å; C127-P158 HydrophobicContact CB-CB 3.99Å; C127-P158 HydrophobicContact CB-CG 3.83Å
128	S	89.5	Confident	71.8	Confident	39 Å²	39	80.3 Å²	80.3	27%	0.273	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.3	173.8	-63.9	0	0	0	0	110.8	H136 T137 C150	S128-H136 WeakPolarHBondContact CA-O 3.07Å; S128-T137 PolarHBondContact OG-OG1 2.85Å; S128-C150 PolarHBondContact O-N 3.4Å; S128-C150 VanDerWaalsContact O-N 3.13Å
129	C	92.2	Very high	73.6	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.4	179.3	80.9	0	0	0	0	111.7	H136 F138 L143 I148	C129-H136 PolarHBondContact N-O 2.74Å; C129-H136 PolarHBondContact O-N 2.93Å; C129-F138 HydrophobicContact CB-CZ 4.38Å; C129-F138 WeakPolarHBondContact SG-CE1 3.29Å; C129-F138 WeakPolarHBondContact SG-CZ 3.08Å; C129-L143 HydrophobicContact CB-CD2 4.48Å; C129-I148 CarbonylContact C-O 3.6Å; C129-I148 WeakPolarHBondContact CA-O 3.33Å; C129-I148 WeakPolarHBondContact CB-O 3.23Å
130	L	92	Very high	75.5	Confident	16 Å²	16	75.5 Å²	75.5	8%	0.084	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.6	174.3	-175.9	66.9	0	0	0	109.6	K31 G33 M135 I148	K31-L130 WeakPolarHBondContact O-CD2 3.48Å; G33-L130 WeakPolarHBondContact CA-O 2.92Å; L130-M135 HydrophobicContact CB-SD 4.17Å; L130-M135 HydrophobicContact CD1-SD 4.18Å; L130-I148 HydrophobicContact CB-CB 4.21Å; L130-I148 HydrophobicContact CB-CG2 4.29Å; L130-I148 PolarHBondContact N-O 2.79Å
131	R	91.1	Very high	77.5	Confident	18 Å²	18	71 Å²	71	7%	0.068	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.6	174.3	-72.2	-179.1	178.2	168.5	2.8	109.7	T32 L34 G133 E134 Y142 D147	T32-R131 CarbonylContact O-C 3.59Å; L34-R131 CarbonylContact O-C 3.54Å; L34-R131 WeakPolarHBondContact O-CA 3.27Å; L34-R131 VanDerWaalsContact O-CB 3.28Å; L34-R131 WeakPolarHBondContact O-CB 3.23Å; R131-G133 PolarHBondContact O-N 2.97Å; R131-G133 VanDerWaalsContact O-N 3.09Å; R131-E134 PolarHBondContact N-O 2.98Å; R131-E134 PolarHBondContact O-N 3.1Å; R131-Y142 PolarHBondContact NH2-O 2.9Å; R131-D147 IonicContact CZ-OD1 3.84Å; R131-D147 IonicContact CZ-OD2 3.73Å; R131-D147 IonicContact NE-OD1 2.98Å; R131-D147 PolarHBondContact NE-OD1 2.97Å; R131-D147 IonicContact NE-OD2 2.64Å; R131-D147 IonicContact NH2-OD1 3.59Å; R131-D147 PolarHBondContact NH2-OD1 3.34Å; R131-D147 IonicContact NH2-OD2 2.61Å; R131-D147 PolarHBondContact NH2-OD2 3.15Å
132	G	87.4	Confident	79.9	Confident	50 Å²	50	67.4 Å²	67.4	52%	0.515	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	22	-178.9	0	0	0	0	0	115.3	T32 L34 E134	T32-G132 CarbonylContact O-C 3.45Å; T32-G132 PolarHBondContact O-N 3.29Å; T32-G132 VanDerWaalsContact O-N 3.08Å; L34-G132 PolarHBondContact O-N 3.05Å; G132-E134 VanDerWaalsContact C-N 3.35Å
133	G	85.6	Confident	82.4	Confident	42 Å²	42	61 Å²	61	43%	0.433	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-3.4	-176.5	0	0	0	0	0	115	T32 R131	T32-G133 PolarHBondContact O-N 3.28Å; R131-G133 PolarHBondContact O-N 2.97Å; R131-G133 VanDerWaalsContact O-N 3.09Å
134	E	87.4	Confident	85.2	Confident	133 Å²	133	52.6 Å²	52.6	62%	0.621	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.3	179.4	-67.2	-169	165	0	0	112.2	R131 G132 H136	R131-E134 PolarHBondContact N-O 2.98Å; R131-E134 PolarHBondContact O-N 3.1Å; G132-E134 VanDerWaalsContact C-N 3.35Å; E134-H136 PolarHBondContact O-CD2 3.44Å; E134-H136 PolarHBondContact O-N 2.87Å
135	M	88.2	Confident	87.3	Confident	100 Å²	100	49.4 Å²	49.4	49%	0.493	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.2	174.5	-75.2	-60.1	-59.1	0	0	110	L130 C150	L130-M135 HydrophobicContact CB-SD 4.17Å; L130-M135 HydrophobicContact CD1-SD 4.18Å; M135-C150 HydrophobicContact CE-CB 3.67Å; M135-C150 VanDerWaalsContact CE-SG 3.54Å; M135-C150 HydrophobicContact SD-CB 4.42Å; M135-C150 PolarHBondContact SD-SG 3.31Å
136	H	88.7	Confident	88.5	Confident	55 Å²	55	45 Å²	45	26%	0.255	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.8	176.6	-67.8	-76.8	0	0	0	111	H36 S128 C129 E134 F138	H36-H136 AromaticContact CE1-CD2 3.9Å; H36-H136 AromaticContact CE1-NE2 3.76Å; H36-H136 AromaticContact NE2-CD2 3.51Å; H36-H136 AromaticContact NE2-CE1 3.59Å; H36-H136 AromaticContact NE2-NE2 3.01Å; H36-H136 PolarHBondContact NE2-NE2 3.33Å; S128-H136 WeakPolarHBondContact CA-O 3.07Å; C129-H136 PolarHBondContact N-O 2.74Å; C129-H136 PolarHBondContact O-N 2.93Å; E134-H136 PolarHBondContact O-CD2 3.44Å; E134-H136 PolarHBondContact O-N 2.87Å; H136-F138 HydrophobicContact CB-CD1 4.03Å; H136-F138 HydrophobicContact CB-CE1 4.14Å
137	T	87.2	Confident	89.3	Confident	92 Å²	92	37.3 Å²	37.3	56%	0.564	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.8	173.6	-56.4	0	0	0	0	109.9	K126 C127 S128	K126-T137 HydrophobicContact CB-CG2 4.43Å; C127-T137 VanDerWaalsContact O-CA 3.3Å; C127-T137 WeakPolarHBondContact O-CA 3.2Å; S128-T137 PolarHBondContact OG-OG1 2.85Å
138	F	89.1	Confident	89.7	Confident	37 Å²	37	36.7 Å²	36.7	16%	0.162	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-177.1	179.7	55.2	-105.1	0	0	0	111.3	K126 C127 C129 H136 Y142 L143	K126-F138 CarbonylContact C-O 3.5Å; K126-F138 VanDerWaalsContact CA-O 3.32Å; K126-F138 WeakPolarHBondContact CA-O 3.25Å; C127-F138 PolarHBondContact N-O 3.2Å; C127-F138 PolarHBondContact O-N 2.92Å; C129-F138 HydrophobicContact CB-CZ 4.38Å; C129-F138 WeakPolarHBondContact SG-CE1 3.29Å; C129-F138 WeakPolarHBondContact SG-CZ 3.08Å; H136-F138 HydrophobicContact CB-CD1 4.03Å; H136-F138 HydrophobicContact CB-CE1 4.14Å; F138-Y142 HydrophobicContact CD2-CD2 4.25Å; F138-L143 HydrophobicContact CE2-CG 4.43Å
139	L	85.6	Confident	89.9	Confident	55 Å²	55	35 Å²	35	29%	0.288	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.3	-179.9	-70	170.1	0	0	0	111.6	P124 K126 S141 Y142	P124-L139 HydrophobicContact CG-CD2 4.15Å; K126-L139 HydrophobicContact CG-CD2 4.32Å; L139-S141 PolarHBondContact O-N 2.96Å; L139-Y142 HydrophobicContact CB-CD2 3.99Å; L139-Y142 HydrophobicContact CB-CE2 4.12Å; L139-Y142 HydrophobicContact CD1-CE2 4.09Å; L139-Y142 PolarHBondContact O-N 3.33Å
140	A	86.8	Confident	89.9	Confident	8 Å²	8	36 Å²	36	7%	0.066	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-55.2	-24	-179.8	0	0	0	0	0	113.5	N49 P125 Y142 L143 P158	N49-A140 WeakPolarHBondContact CB-O 3.44Å; N49-A140 PolarHBondContact ND2-O 3.02Å; P125-A140 HydrophobicContact CG-CB 4.37Å; P125-A140 WeakPolarHBondContact O-CB 3.29Å; P125-A140 PolarHBondContact O-N 3.08Å; A140-Y142 PolarHBondContact O-N 3.28Å; A140-L143 HydrophobicContact CB-CD1 4.45Å; A140-L143 WeakPolarHBondContact O-CB 3.18Å; A140-L143 PolarHBondContact O-N 3.49Å; A140-P158 HydrophobicContact CB-CB 3.82Å
141	S	86.8	Confident	89.9	Confident	8 Å²	8	35.5 Å²	35.5	6%	0.056	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.1	-18.1	176	57.3	0	0	0	0	115.1	P48 N49 E50 L139	P48-S141 CarbonylContact C-O 3.55Å; P48-S141 VanDerWaalsContact CA-O 3.27Å; P48-S141 WeakPolarHBondContact CA-O 3.34Å; P48-S141 WeakPolarHBondContact CB-O 3.3Å; N49-S141 PolarHBondContact N-O 3.14Å; E50-S141 WeakPolarHBondContact OE1-CB 3.3Å; E50-S141 PolarHBondContact OE1-OG 3.26Å; L139-S141 PolarHBondContact O-N 2.96Å
142	Y	89.6	Confident	89.6	Confident	116 Å²	116	37.5 Å²	37.5	46%	0.455	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-94.9	5.7	176.6	-58.7	-50.4	0	0	0	114.2	L43 R131 F138 L139 A140	L43-Y142 HydrophobicContact CD1-CD1 4.48Å; L43-Y142 HydrophobicContact CD2-CD1 3.79Å; L43-Y142 HydrophobicContact CD2-CE1 4.44Å; R131-Y142 PolarHBondContact NH2-O 2.9Å; F138-Y142 HydrophobicContact CD2-CD2 4.25Å; L139-Y142 HydrophobicContact CB-CD2 3.99Å; L139-Y142 HydrophobicContact CB-CE2 4.12Å; L139-Y142 HydrophobicContact CD1-CE2 4.09Å; L139-Y142 PolarHBondContact O-N 3.33Å; A140-Y142 PolarHBondContact O-N 3.28Å
143	L	91.3	Very high	89.2	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.			trans	-70	140.8	171.7	-83.5	158.2	0	0	0	110.8	N49 C127 C129 F138 A140 D147 V149 P158 V246	N49-L143 HydrophobicContact CB-CB 4.27Å; C127-L143 HydrophobicContact CB-CD1 4.15Å; C127-L143 WeakPolarHBondContact SG-CD1 3.41Å; C129-L143 HydrophobicContact CB-CD2 4.48Å; F138-L143 HydrophobicContact CE2-CG 4.43Å; A140-L143 HydrophobicContact CB-CD1 4.45Å; A140-L143 WeakPolarHBondContact O-CB 3.18Å; A140-L143 PolarHBondContact O-N 3.49Å; L143-D147 HydrophobicContact CD2-CB 3.83Å; L143-V149 HydrophobicContact CD1-CG2 4.46Å; L143-V149 HydrophobicContact CD2-CG2 3.61Å; L143-P158 HydrophobicContact CD1-CB 3.4Å; L143-P158 VanDerWaalsContact CD1-CB 3.4Å; L143-P158 HydrophobicContact CD1-CG 3.34Å; L143-V246 HydrophobicContact CD2-CG2 4.03Å
144	V	92.6	Very high	88.6	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.208	C	C	.	.			trans	-129.9	156.8	176.8	-64.2	0	0	0	0	110.6	L34 A39 R42 L43 G146 D147	L34-V144 HydrophobicContact CD2-CG2 3.84Å; A39-V144 HydrophobicContact CB-CG2 4.31Å; R42-V144 HydrophobicContact CB-CB 3.86Å; R42-V144 HydrophobicContact CB-CG1 3.98Å; R42-V144 HydrophobicContact CB-CG2 4Å; L43-V144 HydrophobicContact CB-CG1 3.91Å; L43-V144 HydrophobicContact CD1-CG1 4.15Å; V144-G146 PolarHBondContact O-N 3.03Å; V144-D147 WeakPolarHBondContact CG2-OD2 3.39Å; V144-D147 PolarHBondContact N-OD2 3.13Å; V144-D147 WeakPolarHBondContact O-CB 3.36Å; V144-D147 PolarHBondContact O-N 3.46Å; V144-D147 VanDerWaalsContact O-N 3.08Å
145	P	92.5	Very high	88.2	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	135	173.5	-25.4	35.3	0	0	0	112.2	A7 H8 F26 R42 T249	A7-P145 WeakPolarHBondContact O-CB 3.27Å; A7-P145 WeakPolarHBondContact O-CG 3.2Å; H8-P145 WeakPolarHBondContact CE1-CG 3.43Å; H8-P145 VanDerWaalsContact ND1-CG 3.33Å; H8-P145 WeakPolarHBondContact ND1-CG 3.48Å; F26-P145 HydrophobicContact CD1-CB 4.37Å; F26-P145 HydrophobicContact CE1-CB 3.99Å; R42-P145 WeakPolarHBondContact CD-O 3.48Å; R42-P145 PolarHBondContact NH1-O 3.16Å; P145-T249 HydrophobicContact CG-CG2 4.4Å
146	G	91.1	Very high	87.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-7	-173.5	0	0	0	0	0	115.4	V28 V144 L245 V246	V28-G146 WeakPolarHBondContact CG2-O 3.48Å; V144-G146 PolarHBondContact O-N 3.03Å; G146-L245 WeakPolarHBondContact O-CD1 3.28Å; G146-V246 PolarHBondContact N-O 3.07Å
147	D	93.6	Very high	88	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.			trans	-64.5	152.9	168.5	-81.6	-37.9	0	0	0	111.1	R131 L143 V144 V246	R131-D147 IonicContact CZ-OD1 3.84Å; R131-D147 IonicContact CZ-OD2 3.73Å; R131-D147 IonicContact NE-OD1 2.98Å; R131-D147 PolarHBondContact NE-OD1 2.97Å; R131-D147 IonicContact NE-OD2 2.64Å; R131-D147 IonicContact NH2-OD1 3.59Å; R131-D147 PolarHBondContact NH2-OD1 3.34Å; R131-D147 IonicContact NH2-OD2 2.61Å; R131-D147 PolarHBondContact NH2-OD2 3.15Å; L143-D147 HydrophobicContact CD2-CB 3.83Å; V144-D147 WeakPolarHBondContact CG2-OD2 3.39Å; V144-D147 PolarHBondContact N-OD2 3.13Å; V144-D147 WeakPolarHBondContact O-CB 3.36Å; V144-D147 PolarHBondContact O-N 3.46Å; V144-D147 VanDerWaalsContact O-N 3.08Å; D147-V246 HydrophobicContact CB-CB 4.47Å; D147-V246 HydrophobicContact CB-CG2 3.87Å; D147-V246 WeakPolarHBondContact O-CG2 3.48Å; D147-V246 PolarHBondContact O-N 3.04Å
148	I	94.4	Very high	88	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115	174.1	-61.8	175.3	0	0	0	108.3	V28 D29 L30 C129 L130 F164 K243 G244 L245	V28-I148 HydrophobicContact CG2-CD1 4.5Å; D29-I148 WeakPolarHBondContact O-CD1 3.41Å; L30-I148 HydrophobicContact CD2-CD1 4.44Å; L30-I148 WeakPolarHBondContact O-CD1 3.39Å; C129-I148 CarbonylContact C-O 3.6Å; C129-I148 WeakPolarHBondContact CA-O 3.33Å; C129-I148 WeakPolarHBondContact CB-O 3.23Å; L130-I148 HydrophobicContact CB-CB 4.21Å; L130-I148 HydrophobicContact CB-CG2 4.29Å; L130-I148 PolarHBondContact N-O 2.79Å; I148-F164 HydrophobicContact CD1-CZ 4.16Å; I148-F164 HydrophobicContact CG1-CZ 4.29Å; I148-F164 HydrophobicContact CG2-CE1 4.2Å; I148-F164 HydrophobicContact CG2-CZ 3.69Å; I148-K243 HydrophobicContact CG2-CB 4.32Å; I148-K243 HydrophobicContact CG2-CD 4.47Å; I148-G244 CarbonylContact C-O 3.59Å; I148-G244 WeakPolarHBondContact CA-O 3.49Å; I148-L245 HydrophobicContact CG1-CD1 4.32Å
149	V	94.2	Very high	88.1	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.3	178.3	179.8	0	0	0	0	109	L143 L151 P158 L161 K243 G244 V246	L143-V149 HydrophobicContact CD1-CG2 4.46Å; L143-V149 HydrophobicContact CD2-CG2 3.61Å; V149-L151 HydrophobicContact CG1-CD2 3.89Å; V149-P158 HydrophobicContact CG1-CG 4.1Å; V149-P158 HydrophobicContact CG2-CG 4.32Å; V149-L161 HydrophobicContact CB-CD1 3.99Å; V149-L161 HydrophobicContact CB-CD2 4.15Å; V149-L161 HydrophobicContact CG1-CD1 4.21Å; V149-L161 HydrophobicContact CG2-CD2 3.95Å; V149-K243 CarbonylContact O-C 3.39Å; V149-K243 WeakPolarHBondContact O-CA 3.3Å; V149-G244 PolarHBondContact N-O 2.86Å; V149-G244 PolarHBondContact O-N 3.29Å; V149-V246 HydrophobicContact CG2-CG2 3.82Å
150	C	93	Very high	88.3	Confident	23 Å²	23	26 Å²	26	16%	0.155	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	134.8	171.8	-66.2	0	0	0	0	109.1	S128 M135	S128-C150 PolarHBondContact O-N 3.4Å; S128-C150 VanDerWaalsContact O-N 3.13Å; M135-C150 HydrophobicContact CE-CB 3.67Å; M135-C150 VanDerWaalsContact CE-SG 3.54Å; M135-C150 HydrophobicContact SD-CB 4.42Å; M135-C150 PolarHBondContact SD-SG 3.31Å
151	L	91.1	Very high	88.7	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.9	-174.1	-58	176.1	0	0	0	109.6	V149 L157 L161 L163 L169 M171 V237 T241 G242	V149-L151 HydrophobicContact CG1-CD2 3.89Å; L151-L157 HydrophobicContact CD1-CD1 4.35Å; L151-L157 HydrophobicContact CD2-CD1 3.84Å; L151-L157 HydrophobicContact CD2-CG 4.02Å; L151-L161 HydrophobicContact CD1-CD1 4.07Å; L151-L161 HydrophobicContact CD2-CD1 3.91Å; L151-L161 HydrophobicContact CG-CD1 4.34Å; L151-L163 HydrophobicContact CD1-CD2 3.7Å; L151-L169 HydrophobicContact CD1-CD2 4.48Å; L151-M171 HydrophobicContact CD1-CE 3.56Å; L151-V237 HydrophobicContact CB-CG2 4.27Å; L151-T241 WeakPolarHBondContact O-CA 3.41Å; L151-G242 WeakPolarHBondContact CB-O 3.28Å; L151-G242 PolarHBondContact N-O 2.88Å; L151-G242 PolarHBondContact O-N 3.44Å; L151-G242 VanDerWaalsContact O-N 3.08Å
152	S	86	Confident	89.1	Confident	60 Å²	60	25.3 Å²	25.3	42%	0.42	14%	0.136	S	C	.	.			trans	-120.9	161	172.4	-57.6	0	0	0	0	110.5	G154 D155 V237	S152-G154 PolarHBondContact O-N 3.06Å; S152-D155 WeakPolarHBondContact CB-OD2 3.27Å; S152-D155 PolarHBondContact N-OD2 2.98Å; S152-D155 WeakPolarHBondContact O-CB 3.47Å; S152-D155 PolarHBondContact O-N 2.84Å; S152-V237 WeakPolarHBondContact O-CB 3.4Å
153	V	79.4	Confident	89.3	Confident	62 Å²	62	19.8 Å²	19.8	38%	0.376	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	127.8	175.1	-178.6	0	0	0	0	110.5	C238 G240 F492	V153-C238 WeakPolarHBondContact CG1-O 3.41Å; V153-G240 VanDerWaalsContact CG2-O 3.23Å; V153-G240 WeakPolarHBondContact CG2-O 3.48Å; V153-F492 HydrophobicContact CG1-CD1 3.66Å; V153-F492 HydrophobicContact CG1-CE1 4.26Å
154	G	71.1	Confident	89.3	Confident	39 Å²	39	20.8 Å²	20.8	40%	0.402	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	-11.7	-177.5	0	0	0	0	0	114.9	S152 L236 V237	S152-G154 PolarHBondContact O-N 3.06Å; G154-L236 WeakPolarHBondContact O-CD1 3.39Å; G154-V237 PolarHBondContact N-O 2.65Å
155	D	80.5	Confident	89.3	Confident	63 Å²	63	25.1 Å²	25.1	34%	0.337	14%	0.142	S	C	.	.	P	Polyproline II helix	trans	-72.7	138.9	176.7	-68.1	-25.4	0	0	0	111.2	S152 V237	S152-D155 WeakPolarHBondContact CB-OD2 3.27Å; S152-D155 PolarHBondContact N-OD2 2.98Å; S152-D155 WeakPolarHBondContact O-CB 3.47Å; S152-D155 PolarHBondContact O-N 2.84Å; D155-V237 PolarHBondContact O-N 3.3Å
156	R	82.5	Confident	89.1	Confident	136 Å²	136	26.9 Å²	26.9	51%	0.513	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-93.1	136.4	163.9	-77.5	-173.1	179	-93.6	3	109.6	P158 G234 T235 L236	R156-P158 WeakPolarHBondContact O-CD 3.33Å; R156-G234 PolarHBondContact NH1-O 3.35Å; R156-T235 WeakPolarHBondContact CA-O 3.48Å; R156-L236 HydrophobicContact CG-CD1 4.05Å
157	L	89.1	Confident	88.8	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.016	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-69	123.2	-176.1	-93	67.4	0	0	0	110.2	L151 A159 L161 M171 G231 F232 G234 T235 V237	L151-L157 HydrophobicContact CD1-CD1 4.35Å; L151-L157 HydrophobicContact CD2-CD1 3.84Å; L151-L157 HydrophobicContact CD2-CG 4.02Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-L161 HydrophobicContact CD2-CD1 3.94Å; L157-L161 HydrophobicContact CD2-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 4Å; L157-M171 HydrophobicContact CD1-CE 3.68Å; L157-M171 HydrophobicContact CD1-SD 4.34Å; L157-M171 HydrophobicContact CD2-CE 3.74Å; L157-M171 HydrophobicContact CD2-SD 4Å; L157-M171 HydrophobicContact CG-CE 4.31Å; L157-G231 VanDerWaalsContact CD2-CA 3.41Å; L157-F232 WeakPolarHBondContact CB-O 3.37Å; L157-G234 PolarHBondContact O-N 3.45Å; L157-T235 PolarHBondContact N-O 2.87Å; L157-V237 HydrophobicContact CD1-CG2 3.65Å
158	P	87.8	Confident	88.2	Confident	18 Å²	18	37.5 Å²	37.5	12%	0.117	21%	0.211	C	C	.	.	S	Bend	trans	-83.6	-11.5	-173.4	34.3	-38.2	0	0	0	113.6	N49 C127 A140 L143 V149 R156	N49-P158 PolarHBondContact ND2-O 3.23Å; C127-P158 HydrophobicContact CB-CB 3.99Å; C127-P158 HydrophobicContact CB-CG 3.83Å; A140-P158 HydrophobicContact CB-CB 3.82Å; L143-P158 HydrophobicContact CD1-CB 3.4Å; L143-P158 VanDerWaalsContact CD1-CB 3.4Å; L143-P158 HydrophobicContact CD1-CG 3.34Å; V149-P158 HydrophobicContact CG1-CG 4.1Å; V149-P158 HydrophobicContact CG2-CG 4.32Å; R156-P158 WeakPolarHBondContact O-CD 3.33Å
159	A	90.3	Very high	87.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-159.4	174.5	-177.9	0	0	0	0	0	109	L157 L161 M233 V246 G248 T249	L157-A159 VanDerWaalsContact C-N 3.34Å; A159-L161 HydrophobicContact CB-CD2 4.47Å; A159-M233 PolarHBondContact O-N 3.45Å; A159-V246 HydrophobicContact CB-CG1 3.96Å; A159-V246 HydrophobicContact CB-CG2 4.45Å; A159-G248 WeakPolarHBondContact CB-O 3.19Å; A159-T249 HydrophobicContact CB-CG2 4.18Å
160	D	91.5	Very high	87.3	Confident	3 Å²	3	40 Å²	40	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131	169.8	-73.4	-4.8	0	0	0	109.8	G231 F232 M233 I247 G248 S253 E254	D160-G231 CarbonylContact C-O 3.48Å; D160-G231 WeakPolarHBondContact CA-O 3.47Å; D160-F232 WeakPolarHBondContact OD1-CA 3.3Å; D160-M233 PolarHBondContact OD1-N 3.03Å; D160-I247 HydrophobicContact CB-CD1 4.26Å; D160-I247 HydrophobicContact CB-CG1 3.84Å; D160-I247 VanDerWaalsContact O-CG1 3.24Å; D160-I247 WeakPolarHBondContact O-CG1 3.43Å; D160-I247 PolarHBondContact O-N 3.25Å; D160-G248 PolarHBondContact N-O 3.02Å; D160-S253 WeakPolarHBondContact OD2-CA 3.37Å; D160-S253 WeakPolarHBondContact OD2-CB 3.38Å; D160-E254 PolarHBondContact OD2-N 3.47Å
161	L	94	Very high	86.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.2	-170.9	-54.9	-179.9	0	0	0	111.3	V149 L151 L157 A159 L163 I230 G231 L245 V246	V149-L161 HydrophobicContact CB-CD1 3.99Å; V149-L161 HydrophobicContact CB-CD2 4.15Å; V149-L161 HydrophobicContact CG1-CD1 4.21Å; V149-L161 HydrophobicContact CG2-CD2 3.95Å; L151-L161 HydrophobicContact CD1-CD1 4.07Å; L151-L161 HydrophobicContact CD2-CD1 3.91Å; L151-L161 HydrophobicContact CG-CD1 4.34Å; L157-L161 HydrophobicContact CD2-CD1 3.94Å; L157-L161 HydrophobicContact CD2-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 4Å; A159-L161 HydrophobicContact CB-CD2 4.47Å; L161-L163 HydrophobicContact CB-CD2 4.22Å; L161-I230 CarbonylContact O-C 3.57Å; L161-I230 WeakPolarHBondContact O-CA 3.47Å; L161-G231 PolarHBondContact N-O 3.21Å; L161-G231 PolarHBondContact O-N 3Å; L161-L245 CarbonylContact C-O 3.59Å; L161-L245 WeakPolarHBondContact CA-O 3.39Å; L161-V246 HydrophobicContact CD2-CB 4.23Å; L161-V246 HydrophobicContact CD2-CG2 3.57Å
162	R	94.6	Very high	86.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	114.8	159.6	180	71.9	175.5	80	3.5	108.6	A14 K17 V19 L22 S187 N229 I230 G244 L245 I247	A14-R162 WeakPolarHBondContact O-CD 3.25Å; A14-R162 PolarHBondContact O-NE 2.97Å; K17-R162 PolarHBondContact O-NE 3.46Å; K17-R162 PolarHBondContact O-NH2 3.43Å; V19-R162 HydrophobicContact CG2-CG 4.11Å; L22-R162 HydrophobicContact CD1-CB 3.98Å; L22-R162 HydrophobicContact CD1-CG 3.59Å; R162-S187 PolarHBondContact NH1-O 3.37Å; R162-S187 PolarHBondContact NH2-O 2.89Å; R162-N229 PolarHBondContact NH1-O 2.96Å; R162-N229 PolarHBondContact NH2-ND2 3.48Å; R162-I230 HydrophobicContact CB-CD1 4.47Å; R162-G244 CarbonylContact O-C 3.51Å; R162-G244 WeakPolarHBondContact O-CA 3.43Å; R162-L245 HydrophobicContact CB-CB 4.45Å; R162-L245 PolarHBondContact N-O 3.39Å; R162-L245 PolarHBondContact O-N 2.88Å; R162-I247 HydrophobicContact CB-CG2 3.89Å
163	L	94.2	Very high	85.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.4	-171.6	-61.7	176.1	0	0	0	112.6	L151 L161 L166 L169 M171 K185 N229	L151-L163 HydrophobicContact CD1-CD2 3.7Å; L161-L163 HydrophobicContact CB-CD2 4.22Å; L163-L166 HydrophobicContact CB-CD1 4.04Å; L163-L166 HydrophobicContact CB-CD2 4.13Å; L163-L166 HydrophobicContact CB-CG 4.44Å; L163-L169 HydrophobicContact CD1-CD2 3.92Å; L163-L169 HydrophobicContact CD2-CD2 4.26Å; L163-M171 HydrophobicContact CD1-CE 4.13Å; L163-M171 HydrophobicContact CD1-SD 4.24Å; L163-M171 HydrophobicContact CD2-CE 4Å; L163-K185 HydrophobicContact CD1-CB 3.76Å; L163-K185 HydrophobicContact CD1-CD 3.87Å; L163-K185 HydrophobicContact CD1-CG 3.77Å; L163-N229 PolarHBondContact N-O 3.42Å
164	F	93	Very high	85	Confident	21 Å²	21	35.4 Å²	35.4	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	162	175.5	70.8	-86	0	0	0	110.5	V19 L30 I148 K243 L245	V19-F164 HydrophobicContact CB-CB 4.31Å; V19-F164 HydrophobicContact CG1-CB 3.84Å; V19-F164 HydrophobicContact CG1-CD1 3.82Å; V19-F164 HydrophobicContact CG1-CD2 4.48Å; V19-F164 HydrophobicContact CG1-CE1 4.48Å; V19-F164 HydrophobicContact CG1-CG 3.82Å; V19-F164 HydrophobicContact CG2-CB 3.76Å; L30-F164 HydrophobicContact CB-CE2 4.36Å; L30-F164 HydrophobicContact CD2-CE1 4.04Å; L30-F164 HydrophobicContact CD2-CE2 4.13Å; L30-F164 HydrophobicContact CD2-CZ 3.81Å; I148-F164 HydrophobicContact CD1-CZ 4.16Å; I148-F164 HydrophobicContact CG1-CZ 4.29Å; I148-F164 HydrophobicContact CG2-CE1 4.2Å; I148-F164 HydrophobicContact CG2-CZ 3.69Å; F164-K243 HydrophobicContact CD1-CB 4.37Å; F164-K243 HydrophobicContact CD2-CB 4.22Å; F164-K243 HydrophobicContact CE1-CB 4.02Å; F164-K243 HydrophobicContact CE2-CB 3.85Å; F164-K243 HydrophobicContact CE2-CD 4.13Å; F164-K243 HydrophobicContact CG-CB 4.47Å; F164-K243 HydrophobicContact CZ-CB 3.74Å; F164-K243 HydrophobicContact CZ-CD 4.4Å; F164-K243 PolarHBondContact N-O 2.91Å; F164-K243 CarbonylContact O-C 3.5Å; F164-K243 WeakPolarHBondContact O-CA 3.02Å; F164-K243 PolarHBondContact O-N 2.9Å; F164-L245 HydrophobicContact CD1-CB 4.45Å; F164-L245 HydrophobicContact CE1-CB 4.09Å
165	D	90.9	Very high	84.7	Confident	93 Å²	93	34 Å²	34	50%	0.497	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	58.9	-179.8	-165.4	21.8	0	0	0	112	G242 K243	D165-G242 WeakPolarHBondContact O-CA 3.2Å; D165-K243 HydrophobicContact CB-CB 4.4Å; D165-K243 HydrophobicContact CB-CD 4.38Å; D165-K243 IonicContact OD2-NZ 3.92Å; D165-K243 PolarHBondContact OD2-NZ 3.38Å
166	L	89.1	Confident	84	Confident	38 Å²	38	31.3 Å²	31.3	20%	0.199	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.3	-173.2	-58.9	-174.7	0	0	0	112.1	L163 L169 K185	L163-L166 HydrophobicContact CB-CD1 4.04Å; L163-L166 HydrophobicContact CB-CD2 4.13Å; L163-L166 HydrophobicContact CB-CG 4.44Å; L166-L169 HydrophobicContact CB-CB 4.3Å; L166-L169 HydrophobicContact CD1-CB 4.47Å; L166-L169 HydrophobicContact CD1-CD2 4.14Å; L166-L169 HydrophobicContact CD2-CB 4.11Å; L166-L169 HydrophobicContact CD2-CD2 3.32Å; L166-L169 HydrophobicContact CD2-CG 4.3Å; L166-L169 HydrophobicContact CG-CD2 4.28Å; L166-K185 HydrophobicContact CD1-CB 4.04Å
167	T	85.4	Confident	83.1	Confident	82 Å²	82	26.3 Å²	26.3	50%	0.503	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	104.6	170.2	-54.6	0	0	0	0	108.9	L169 G240 T241	T167-L169 PolarHBondContact O-N 3Å; T167-G240 CarbonylContact O-C 3.47Å; T167-G240 WeakPolarHBondContact O-CA 3.42Å; T167-T241 PolarHBondContact N-O 3.49Å; T167-T241 PolarHBondContact O-N 3.39Å
168	D	80.4	Confident	81.5	Confident	141 Å²	141	27.4 Å²	27.4	75%	0.754	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	45.7	36.4	-179.8	-68.1	-29.3	0	0	0	115	R170 S239 G240	D168-R170 PolarHBondContact O-N 3.14Å; D168-S239 CarbonylContact O-C 3.51Å; D168-S239 PolarHBondContact O-OG 2.96Å; D168-G240 WeakPolarHBondContact O-CA 3.26Å
169	L	84.8	Confident	80.3	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	122	-176.4	-173.3	75	0	0	0	110.4	L151 L163 L166 T167 M171 K185 V237 S239	L151-L169 HydrophobicContact CD1-CD2 4.48Å; L163-L169 HydrophobicContact CD1-CD2 3.92Å; L163-L169 HydrophobicContact CD2-CD2 4.26Å; L166-L169 HydrophobicContact CB-CB 4.3Å; L166-L169 HydrophobicContact CD1-CB 4.47Å; L166-L169 HydrophobicContact CD1-CD2 4.14Å; L166-L169 HydrophobicContact CD2-CB 4.11Å; L166-L169 HydrophobicContact CD2-CD2 3.32Å; L166-L169 HydrophobicContact CD2-CG 4.3Å; L166-L169 HydrophobicContact CG-CD2 4.28Å; T167-L169 PolarHBondContact O-N 3Å; L169-M171 HydrophobicContact CD1-CE 4.25Å; L169-M171 HydrophobicContact CD2-CE 3.51Å; L169-M171 HydrophobicContact CG-CE 4.11Å; L169-K185 HydrophobicContact CB-CB 4.37Å; L169-K185 HydrophobicContact CD2-CB 3.94Å; L169-K185 HydrophobicContact CD2-CG 4.24Å; L169-K185 HydrophobicContact CG-CB 4.3Å; L169-K185 PolarHBondContact O-N 2.88Å; L169-V237 HydrophobicContact CD1-CG1 3.65Å; L169-S239 WeakPolarHBondContact CA-O 3.19Å
170	R	83.9	Confident	78.7	Confident	50 Å²	50	33.6 Å²	33.6	19%	0.189	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.9	170.4	-57.8	-172.1	165.2	-164.1	-7.3	110.1	D168 A182 V183 P184 C238 S239 F524	D168-R170 PolarHBondContact O-N 3.14Å; R170-A182 HydrophobicContact CB-CB 4.25Å; R170-V183 WeakPolarHBondContact CA-O 3.27Å; R170-P184 HydrophobicContact CG-CB 4.42Å; R170-C238 PolarHBondContact O-N 2.65Å; R170-S239 WeakPolarHBondContact CB-OG 3.49Å; R170-S239 WeakPolarHBondContact CG-OG 3.48Å; R170-S239 PolarHBondContact N-O 3.19Å; R170-S239 PolarHBondContact O-N 3.29Å; R170-F524 PolarHBondContact NH2-O 3.46Å
171	M	83.7	Confident	77.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.3	-177.3	-70.1	175.6	172.1	0	0	111.2	L151 L157 L163 L169 E173 A182 V183 K185 L236 V237	L151-M171 HydrophobicContact CD1-CE 3.56Å; L157-M171 HydrophobicContact CD1-CE 3.68Å; L157-M171 HydrophobicContact CD1-SD 4.34Å; L157-M171 HydrophobicContact CD2-CE 3.74Å; L157-M171 HydrophobicContact CD2-SD 4Å; L157-M171 HydrophobicContact CG-CE 4.31Å; L163-M171 HydrophobicContact CD1-CE 4.13Å; L163-M171 HydrophobicContact CD1-SD 4.24Å; L163-M171 HydrophobicContact CD2-CE 4Å; L169-M171 HydrophobicContact CD1-CE 4.25Å; L169-M171 HydrophobicContact CD2-CE 3.51Å; L169-M171 HydrophobicContact CG-CE 4.11Å; M171-E173 HydrophobicContact CB-CG 4.45Å; M171-E173 PolarHBondContact O-N 3.5Å; M171-A182 CarbonylContact O-C 3.59Å; M171-A182 WeakPolarHBondContact O-CA 3.44Å; M171-V183 PolarHBondContact N-O 3.48Å; M171-V183 PolarHBondContact O-N 3.43Å; M171-K185 HydrophobicContact CB-CG 4.42Å; M171-K185 HydrophobicContact CG-CG 4.1Å; M171-K185 HydrophobicContact SD-CD 4.31Å; M171-K185 HydrophobicContact SD-CG 3.93Å; M171-L236 CarbonylContact C-O 3.41Å; M171-L236 VanDerWaalsContact CA-O 3.29Å; M171-L236 WeakPolarHBondContact CA-O 3.45Å; M171-V237 HydrophobicContact CE-CG2 4.08Å
172	D	75.5	Confident	76.4	Confident	34 Å²	34	37.1 Å²	37.1	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	106.1	167.5	172.5	14.6	0	0	0	109.2	S174 T235 L236 C238	D172-S174 VanDerWaalsContact CG-OG 3.25Å; D172-S174 WeakPolarHBondContact OD1-CA 3.27Å; D172-S174 WeakPolarHBondContact OD1-CB 3.44Å; D172-S174 PolarHBondContact OD1-N 3.1Å; D172-S174 PolarHBondContact OD1-OG 3.12Å; D172-S174 PolarHBondContact OD2-OG 2.94Å; D172-T235 WeakPolarHBondContact O-CB 3.41Å; D172-L236 HydrophobicContact CB-CB 4.31Å; D172-L236 PolarHBondContact N-O 3.48Å; D172-L236 PolarHBondContact O-N 2.92Å; D172-L236 VanDerWaalsContact O-N 3.16Å; D172-C238 WeakPolarHBondContact CB-SG 3.26Å; D172-C238 PolarHBondContact N-SG 2.95Å
173	E	76.5	Confident	75.7	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.211	C	C	.	.			trans	-96.7	11.3	176.7	-51.8	-163.7	148.6	0	0	112.5	M171 S175 L176 T177 V183 K185 F232 T235	M171-E173 HydrophobicContact CB-CG 4.45Å; M171-E173 PolarHBondContact O-N 3.5Å; E173-S175 PolarHBondContact O-N 3.41Å; E173-L176 PolarHBondContact O-N 2.92Å; E173-T177 HydrophobicContact CB-CG2 4.12Å; E173-T177 PolarHBondContact O-N 2.87Å; E173-T177 PolarHBondContact O-OG1 2.99Å; E173-V183 HydrophobicContact CG-CG2 4.24Å; E173-K185 WeakPolarHBondContact OE1-CE 3.49Å; E173-K185 IonicContact OE1-NZ 3.96Å; E173-K185 PolarHBondContact OE1-NZ 3.35Å; E173-F232 WeakPolarHBondContact OE1-CD2 3.27Å; E173-T235 HydrophobicContact CB-CG2 4.24Å; E173-T235 HydrophobicContact CG-CG2 4.05Å
174	S	65.5	Low	75.1	Confident	18 Å²	18	41.9 Å²	41.9	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-53.3	-30.5	177	61.8	0	0	0	0	112.2	D172 L176 G178 E179	D172-S174 VanDerWaalsContact CG-OG 3.25Å; D172-S174 WeakPolarHBondContact OD1-CA 3.27Å; D172-S174 WeakPolarHBondContact OD1-CB 3.44Å; D172-S174 PolarHBondContact OD1-N 3.1Å; D172-S174 PolarHBondContact OD1-OG 3.12Å; D172-S174 PolarHBondContact OD2-OG 2.94Å; S174-L176 PolarHBondContact O-N 3.33Å; S174-G178 WeakPolarHBondContact O-CA 3.27Å; S174-G178 PolarHBondContact O-N 2.9Å; S174-E179 WeakPolarHBondContact CA-O 3.41Å; S174-E179 WeakPolarHBondContact CB-O 3.22Å; S174-E179 PolarHBondContact N-O 3.44Å
175	S	64.9	Low	74.9	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-49.5	175.9	-65.7	0	0	0	0	110.4	E173 V743 T763	E173-S175 PolarHBondContact O-N 3.41Å; S175-V743 WeakPolarHBondContact O-CA 3.49Å; S175-V743 WeakPolarHBondContact O-CB 3.49Å; S175-V743 WeakPolarHBondContact O-CG2 3.16Å; S175-V743 PolarHBondContact O-N 3.33Å; S175-T763 WeakPolarHBondContact OG-CG2 3.36Å
176	L	66	Low	74.7	Confident	8 Å²	8	38.8 Å²	38.8	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-86.8	-31.5	-177.6	-169.8	71.7	0	0	0	113.7	E173 S174 L221 C224 F232 F255 N744	E173-L176 PolarHBondContact O-N 2.92Å; S174-L176 PolarHBondContact O-N 3.33Å; L176-L221 HydrophobicContact CD1-CD2 4.11Å; L176-L221 HydrophobicContact CG-CD2 4.36Å; L176-C224 HydrophobicContact CD2-CB 4.38Å; L176-F232 HydrophobicContact CD2-CB 4.05Å; L176-F232 HydrophobicContact CD2-CD1 4.21Å; L176-F232 HydrophobicContact CD2-CD2 4.02Å; L176-F232 HydrophobicContact CD2-CG 3.83Å; L176-F255 HydrophobicContact CD1-CD2 4.35Å; L176-N744 PolarHBondContact O-OD1 2.84Å
177	T	63.7	Low	74.6	Confident	31 Å²	31	39.7 Å²	39.7	19%	0.19	23%	0.228	C	C	.	.	H	α-helix	trans	-112.1	-18.1	-169.1	65.3	0	0	0	0	113.9	E173 E179 N744	E173-T177 HydrophobicContact CB-CG2 4.12Å; E173-T177 PolarHBondContact O-N 2.87Å; E173-T177 PolarHBondContact O-OG1 2.99Å; T177-E179 PolarHBondContact O-N 3.25Å; T177-E179 PolarHBondContact OG1-N 2.99Å; T177-N744 PolarHBondContact O-ND2 3.27Å
178	G	55.5	Low	74.6	Confident	25 Å²	25	42.7 Å²	42.7	26%	0.258	24%	0.236	S	C	.	.			trans	77.1	-7.3	-174.2	0	0	0	0	0	114.9	S174 N744	S174-G178 WeakPolarHBondContact O-CA 3.27Å; S174-G178 PolarHBondContact O-N 2.9Å; G178-N744 WeakPolarHBondContact CA-ND2 3.4Å; G178-N744 PolarHBondContact N-ND2 3.34Å
179	E	62.4	Low	74.7	Confident	106 Å²	106	39.2 Å²	39.2	50%	0.495	22%	0.22	S	C	.	.			trans	-84.2	130.3	179.8	-63.9	-61.4	154.2	0	0	110.5	S174 T177 E181	S174-E179 WeakPolarHBondContact CA-O 3.41Å; S174-E179 WeakPolarHBondContact CB-O 3.22Å; S174-E179 PolarHBondContact N-O 3.44Å; T177-E179 PolarHBondContact O-N 3.25Å; T177-E179 PolarHBondContact OG1-N 2.99Å; E179-E181 VanDerWaalsContact C-N 3.32Å; E179-E181 PolarHBondContact O-N 3.23Å
180	T	56.5	Low	74.3	Confident	43 Å²	43	39.7 Å²	39.7	26%	0.264	22%	0.223	S	C	.	.			trans	-85.2	-6.6	-173.3	57.3	0	0	0	0	113.6	T366 N372	T180-T366 HydrophobicContact CG2-CG2 3.54Å; T180-N372 WeakPolarHBondContact CG2-OD1 3.31Å
181	E	64.2	Low	73.1	Confident	70 Å²	70	42 Å²	42	33%	0.327	25%	0.245	S	C	.	.	S	Bend	trans	-85.6	119.5	-179	-165.9	158	155.4	0	0	110.4	E179 V183 R620	E179-E181 VanDerWaalsContact C-N 3.32Å; E179-E181 PolarHBondContact O-N 3.23Å; E181-V183 PolarHBondContact O-N 3.43Å; E181-R620 IonicContact OE2-CZ 2.64Å; E181-R620 IonicContact OE2-NH1 3.65Å; E181-R620 PolarHBondContact OE2-NH1 3.05Å; E181-R620 IonicContact OE2-NH2 3.89Å; E181-R620 PolarHBondContact OE2-NH2 3.46Å
182	A	73.2	Confident	71.7	Confident	6 Å²	6	47.7 Å²	47.7	5%	0.05	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-63.3	124.3	178.7	0	0	0	0	0	111.1	R170 M171 C238	R170-A182 HydrophobicContact CB-CB 4.25Å; M171-A182 CarbonylContact O-C 3.59Å; M171-A182 WeakPolarHBondContact O-CA 3.44Å; A182-C238 HydrophobicContact CB-CB 4.16Å
183	V	80.8	Confident	70.2	Confident	29 Å²	29	54.3 Å²	54.3	18%	0.176	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.6	-175.6	-177.9	0	0	0	0	109.7	R170 M171 E173 E181 I228	R170-V183 WeakPolarHBondContact CA-O 3.27Å; M171-V183 PolarHBondContact N-O 3.48Å; M171-V183 PolarHBondContact O-N 3.43Å; E173-V183 HydrophobicContact CG-CG2 4.24Å; E181-V183 PolarHBondContact O-N 3.43Å; V183-I228 HydrophobicContact CG1-CG2 4.41Å
184	P	82.1	Confident	68.6	Low	71 Å²	71	59 Å²	59	46%	0.461	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.5	172.2	29.5	-33	0	0	0	111.1	R170	R170-P184 HydrophobicContact CG-CB 4.42Å
185	K	88	Confident	67.1	Low	20 Å²	20	63.7 Å²	63.7	9%	0.087	36%	0.36	C	S	.	.			trans	-105.3	146.8	-177.6	-62.5	-63.7	-177.6	174.5	0	111.8	L163 L166 L169 M171 E173 L227 I228 I230	L163-K185 HydrophobicContact CD1-CB 3.76Å; L163-K185 HydrophobicContact CD1-CD 3.87Å; L163-K185 HydrophobicContact CD1-CG 3.77Å; L166-K185 HydrophobicContact CD1-CB 4.04Å; L169-K185 HydrophobicContact CB-CB 4.37Å; L169-K185 HydrophobicContact CD2-CB 3.94Å; L169-K185 HydrophobicContact CD2-CG 4.24Å; L169-K185 HydrophobicContact CG-CB 4.3Å; L169-K185 PolarHBondContact O-N 2.88Å; M171-K185 HydrophobicContact CB-CG 4.42Å; M171-K185 HydrophobicContact CG-CG 4.1Å; M171-K185 HydrophobicContact SD-CD 4.31Å; M171-K185 HydrophobicContact SD-CG 3.93Å; E173-K185 WeakPolarHBondContact OE1-CE 3.49Å; E173-K185 IonicContact OE1-NZ 3.96Å; E173-K185 PolarHBondContact OE1-NZ 3.35Å; K185-L227 PolarHBondContact NZ-O 2.7Å; K185-I228 CarbonylContact C-O 3.56Å; K185-I228 WeakPolarHBondContact CA-O 3.37Å; K185-I228 WeakPolarHBondContact CB-O 3.37Å; K185-I228 WeakPolarHBondContact CD-O 3.45Å; K185-I230 WeakPolarHBondContact CE-O 3.45Å; K185-I230 PolarHBondContact NZ-O 2.87Å
186	S	86.6	Confident	66	Low	30 Å²	30	68.7 Å²	68.7	21%	0.21	39%	0.385	C	S	.	.			trans	-128.4	149.1	178.7	179.6	0	0	0	0	110.6	E188 I228 N229	S186-E188 VanDerWaalsContact C-N 3.34Å; S186-E188 PolarHBondContact OG-N 2.8Å; S186-I228 PolarHBondContact N-O 3.05Å; S186-N229 WeakPolarHBondContact O-CA 3.47Å; S186-N229 WeakPolarHBondContact O-CB 3.38Å
187	S	87.5	Confident	64.4	Low	57 Å²	57	73.4 Å²	73.4	40%	0.399	42%	0.419	S	S	.	.			trans	-83.1	-14.7	172.9	53	0	0	0	0	112.8	R162	R162-S187 PolarHBondContact NH1-O 3.37Å; R162-S187 PolarHBondContact NH2-O 2.89Å
188	E	84.6	Confident	62.6	Low	144 Å²	144	79.5 Å²	79.5	67%	0.673	45%	0.45	S	S	*	.	S	Bend	trans	-62.2	151	-173.2	-65.9	-176.2	173.8	0	0	113.1	S186 N229	S186-E188 VanDerWaalsContact C-N 3.34Å; S186-E188 PolarHBondContact OG-N 2.8Å; E188-N229 WeakPolarHBondContact O-CB 3.45Å; E188-N229 PolarHBondContact O-ND2 2.75Å
189	V	83.1	Confident	61.5	Low	68 Å²	68	83.3 Å²	83.3	41%	0.412	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-77.5	133.1	178.2	-177.9	0	0	0	0	109.4	V16	V16-V189 VanDerWaalsContact C-CG1 3.43Å; V16-V189 VanDerWaalsContact O-CG1 3.23Å; V16-V189 WeakPolarHBondContact O-CG1 3.31Å
190	L	76.2	Confident	59.9	Low	13 Å²	13	83.2 Å²	83.2	7%	0.068	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-83.1	130.4	178.4	-63.7	-174.4	0	0	0	110.1	A15 F194 D226 L227 I228	A15-L190 HydrophobicContact CB-CD1 4.16Å; A15-L190 PolarHBondContact O-N 3.44Å; A15-L190 VanDerWaalsContact O-N 3.08Å; L190-F194 HydrophobicContact CB-CD2 4.22Å; L190-F194 HydrophobicContact CB-CE2 3.54Å; L190-F194 HydrophobicContact CB-CZ 4.33Å; L190-F194 HydrophobicContact CD1-CE2 4.31Å; L190-F194 HydrophobicContact CD2-CE2 3.76Å; L190-F194 HydrophobicContact CD2-CZ 3.63Å; L190-F194 HydrophobicContact CG-CE2 4.02Å; L190-F194 HydrophobicContact CG-CZ 4.34Å; L190-D226 WeakPolarHBondContact CD1-O 3.28Å; L190-L227 HydrophobicContact CD1-CD2 3.98Å; L190-I228 HydrophobicContact CD2-CD1 4.22Å; L190-I228 HydrophobicContact CD2-CG1 3.84Å
191	C	58.7	Low	58.5	Low	99 Å²	99	90 Å²	90	67%	0.669	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-67.9	147.2	177.6	-73.3	0	0	0	0	111.3	H193 F194	C191-H193 PolarHBondContact O-N 2.84Å; C191-F194 VanDerWaalsContact O-CD2 3.27Å; C191-F194 WeakPolarHBondContact O-CD2 3.45Å
192	T	54.2	Low	56.8	Low	119 Å²	119	91.9 Å²	91.9	73%	0.73	53%	0.525	S	S	*	.	S	Bend	trans	-63.7	-13.3	-177.3	50.6	0	0	0	0	114.8	V16	V16-T192 HydrophobicContact CG1-CG2 4.32Å
193	H	43.2	Very low	54.4	Low	173 Å²	173	102.7 Å²	102.7	80%	0.801	56%	0.564	S	S	*	*			trans	-108.4	66.1	176.5	-77.6	-77.7	0	0	0	111.6	C191 P195	C191-H193 PolarHBondContact O-N 2.84Å; H193-P195 WeakPolarHBondContact O-CD 3.46Å
194	F	43.7	Very low	51.9	Low	101 Å²	101	110.5 Å²	110.5	44%	0.443	60%	0.596	S	S	.	*			trans	-73.8	122.1	160.1	-94.8	-93.4	0	0	0	108.7	L190 C191 I196	L190-F194 HydrophobicContact CB-CD2 4.22Å; L190-F194 HydrophobicContact CB-CE2 3.54Å; L190-F194 HydrophobicContact CB-CZ 4.33Å; L190-F194 HydrophobicContact CD1-CE2 4.31Å; L190-F194 HydrophobicContact CD2-CE2 3.76Å; L190-F194 HydrophobicContact CD2-CZ 3.63Å; L190-F194 HydrophobicContact CG-CE2 4.02Å; L190-F194 HydrophobicContact CG-CZ 4.34Å; C191-F194 VanDerWaalsContact O-CD2 3.27Å; C191-F194 WeakPolarHBondContact O-CD2 3.45Å; F194-I196 PolarHBondContact O-N 2.78Å
195	P	34.9	Very low	49.1	Very low	116 Å²	116	112 Å²	112	75%	0.753	61%	0.608	S	S	*	*			trans	-70.9	105.6	174	28.5	-29	0	0	0	107.6	H193 S197	H193-P195 WeakPolarHBondContact O-CD 3.46Å; P195-S197 PolarHBondContact O-N 3.05Å
196	I	40.8	Very low	46.2	Very low	114 Å²	114	116.5 Å²	116.5	59%	0.585	64%	0.642	S	S	*	*			trans	-57	107.8	163.2	-60.2	168	0	0	0	105.4	F194 N198 T199	F194-I196 PolarHBondContact O-N 2.78Å; I196-N198 PolarHBondContact O-N 3.47Å; I196-T199 HydrophobicContact CG2-CG2 4.23Å
197	S	31.9	Very low	43.3	Very low	106 Å²	106	121 Å²	121	74%	0.741	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	116.4	174.2	53.5	0	0	0	0	108.3	P195	P195-S197 PolarHBondContact O-N 3.05Å
198	N	27	Very low	40.4	Very low	160 Å²	160	126.6 Å²	126.6	86%	0.856	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.5	70.3	178.1	-61.6	-13.5	0	0	0	117.1	I196	I196-N198 PolarHBondContact O-N 3.47Å
199	T	32.5	Very low	37.7	Very low	105 Å²	105	128 Å²	128	64%	0.644	70%	0.7	S	S	*	*			trans	-107.5	98.2	145.5	31.8	0	0	0	0	109	I196 E201	I196-T199 HydrophobicContact CG2-CG2 4.23Å; T199-E201 PolarHBondContact O-N 3.42Å
200	S	28.6	Very low	35.1	Very low	104 Å²	104	130.1 Å²	130.1	73%	0.727	71%	0.713	S	S	*	*			trans	-55.6	130	160.1	-55	0	0	0	0	107.4	V202	S200-V202 PolarHBondContact O-N 3.28Å
201	E	26.5	Very low	33.1	Very low	185 Å²	185	136 Å²	136	86%	0.864	75%	0.745	S	S	*	*			trans	-52.7	96.9	174.1	-72	-177	149.6	0	0	110.6	T199 R203	T199-E201 PolarHBondContact O-N 3.42Å; E201-R203 PolarHBondContact O-N 2.98Å
202	V	29.1	Very low	31.9	Very low	110 Å²	110	137.9 Å²	137.9	67%	0.667	75%	0.747	S	S	*	*			trans	-83.2	101.3	166.9	177.5	0	0	0	0	106.7	S200 F204	S200-V202 PolarHBondContact O-N 3.28Å; V202-F204 PolarHBondContact O-N 2.97Å
203	R	21.6	Very low	31.2	Very low	232 Å²	232	134.9 Å²	134.9	88%	0.875	74%	0.74	S	S	*	*			trans	-58.1	107.2	163.2	-75.4	-179.3	177.8	172.7	-0.5	108.6	E201 S205	E201-R203 PolarHBondContact O-N 2.98Å; R203-S205 PolarHBondContact O-N 3.35Å; R203-S205 VanDerWaalsContact O-N 3.07Å
204	F	28.7	Very low	31.2	Very low	194 Å²	194	132 Å²	132	85%	0.851	73%	0.73	S	S	*	*			trans	-70.7	98.6	169.5	-92.8	-90.1	0	0	0	109.7	V202	V202-F204 PolarHBondContact O-N 2.97Å
205	S	23.9	Very low	31.1	Very low	102 Å²	102	131.5 Å²	131.5	71%	0.713	73%	0.732	S	S	*	*			trans	-72.9	123.8	159.2	51.5	0	0	0	0	109.1	R203 T207	R203-S205 PolarHBondContact O-N 3.35Å; R203-S205 VanDerWaalsContact O-N 3.07Å; S205-T207 PolarHBondContact O-N 3.38Å
206	S	26.3	Very low	31.6	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	72%	0.723	S	S	*	*			trans	-55	108.8	178.6	49.2	0	0	0	0	113.4
207	T	25.6	Very low	31.8	Very low	126 Å²	126	127 Å²	127	77%	0.773	70%	0.698	S	S	*	*			trans	-163.1	124.9	149.2	23.7	0	0	0	0	112.3	S205	S205-T207 PolarHBondContact O-N 3.38Å
208	Q	27.4	Very low	32.3	Very low	174 Å²	174	122.8 Å²	122.8	81%	0.813	67%	0.668	S	S	*	*			trans	78.7	99.3	153.9	-62.4	-170.6	-10.6	0	0	120.7	V210	Q208-V210 PolarHBondContact O-N 2.7Å
209	N	26.9	Very low	33.2	Very low	172 Å²	172	121.2 Å²	121.2	92%	0.92	66%	0.655	S	S	*	*			trans	20.5	82.3	136.4	-68.7	-4.9	0	0	0	118.2
210	V	29.1	Very low	34.1	Very low	114 Å²	114	120.6 Å²	120.6	69%	0.691	64%	0.641	S	S	*	*			trans	-129.5	130.4	155.6	-179.5	0	0	0	0	107.3	Q208 I212	Q208-V210 PolarHBondContact O-N 2.7Å; V210-I212 WeakPolarHBondContact O-CG1 3.31Å; V210-I212 PolarHBondContact O-N 2.76Å
211	N	33.5	Very low	35	Very low	137 Å²	137	117.2 Å²	117.2	73%	0.733	62%	0.615	S	S	*	*			trans	-45.3	109	-175.6	-77.9	-26.1	0	0	0	112.4	G213	N211-G213 PolarHBondContact O-N 3.03Å; N211-G213 VanDerWaalsContact O-N 3.13Å
212	I	34.9	Very low	36.1	Very low	137 Å²	137	115.6 Å²	115.6	70%	0.703	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-4.1	-171.5	-68	171.1	0	0	0	113	V210	V210-I212 WeakPolarHBondContact O-CG1 3.31Å; V210-I212 PolarHBondContact O-N 2.76Å
213	G	38.3	Very low	37.3	Very low	57 Å²	57	110.9 Å²	110.9	59%	0.588	57%	0.574	S	S	*	*	H	α-helix	trans	-72.1	-44.1	-178.6	0	0	0	0	0	114.6	N211	N211-G213 PolarHBondContact O-N 3.03Å; N211-G213 VanDerWaalsContact O-N 3.13Å
214	D	43.6	Very low	39.2	Very low	111 Å²	111	100 Å²	100	59%	0.594	53%	0.533	S	S	*	.	H	α-helix	trans	-82.9	-21	-164.1	-59.5	-30.1	0	0	0	113.9
215	N	41.2	Very low	40.7	Very low	91 Å²	91	95.2 Å²	95.2	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-76.4	-30.2	-177.4	-78.9	-26.8	0	0	0	113.8	E219 K720	N215-E219 PolarHBondContact O-N 3.26Å; N215-K720 PolarHBondContact OD1-NZ 3.18Å
216	K	46.5	Very low	42.8	Very low	129 Å²	129	93.3 Å²	93.3	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-71.6	-35.5	-178.2	-77.3	-177.7	176.7	179.1	0	113.4	R220	K216-R220 VanDerWaalsContact O-CG 3.3Å; K216-R220 WeakPolarHBondContact O-CG 3.48Å; K216-R220 PolarHBondContact O-N 2.89Å; K216-R220 VanDerWaalsContact O-N 3.09Å
217	A	44.2	Very low	45.5	Very low	7 Å²	7	88.7 Å²	88.7	6%	0.058	46%	0.462	C	S	.	.	H	α-helix	trans	-66.9	-38.6	-177.9	0	0	0	0	0	112.3	R220 L221 E257 M261	A217-R220 VanDerWaalsContact O-CB 3.3Å; A217-R220 WeakPolarHBondContact O-CB 3.42Å; A217-R220 PolarHBondContact O-N 3.47Å; A217-L221 PolarHBondContact O-N 3.26Å; A217-E257 HydrophobicContact CB-CG 4.05Å; A217-M261 HydrophobicContact CB-SD 4.12Å
218	V	43.6	Very low	48.3	Very low	18 Å²	18	85.5 Å²	85.5	11%	0.109	44%	0.439	C	S	.	.	H	α-helix	trans	-80.8	-31.1	-179.3	-176.2	0	0	0	0	112.9	R220 L221 R222 M261 K720	V218-R220 PolarHBondContact O-N 3.38Å; V218-L221 PolarHBondContact O-N 3.49Å; V218-R222 PolarHBondContact O-N 3.23Å; V218-M261 HydrophobicContact CG2-CE 4.29Å; V218-M261 HydrophobicContact CG2-SD 3.97Å; V218-K720 HydrophobicContact CB-CD 4.02Å; V218-K720 HydrophobicContact CG1-CD 3.52Å; V218-K720 VanDerWaalsContact CG1-CE 3.49Å; V218-K720 HydrophobicContact CG1-CG 3.85Å; V218-K720 HydrophobicContact CG2-CD 4.42Å
219	E	46.1	Very low	51.4	Low	127 Å²	127	77.2 Å²	77.2	59%	0.593	40%	0.4	S	S	*	.	H	α-helix	trans	-64.8	-25.2	166.5	-78.8	-179.3	170.8	0	0	112	R12 N215	R12-E219 PolarHBondContact NH2-O 3.38Å; N215-E219 PolarHBondContact O-N 3.26Å
220	R	50.4	Low	54.4	Low	92 Å²	92	69 Å²	69	35%	0.347	36%	0.357	S	S	.	.	H	α-helix	trans	-64.8	-48.4	169.6	-73.3	173.5	-170.2	166.4	-0.4	112.2	R12 K216 A217 V218 R222 G223 C224	R12-R220 VanDerWaalsContact NH2-CA 3.32Å; R12-R220 PolarHBondContact NH2-O 3.33Å; K216-R220 VanDerWaalsContact O-CG 3.3Å; K216-R220 WeakPolarHBondContact O-CG 3.48Å; K216-R220 PolarHBondContact O-N 2.89Å; K216-R220 VanDerWaalsContact O-N 3.09Å; A217-R220 VanDerWaalsContact O-CB 3.3Å; A217-R220 WeakPolarHBondContact O-CB 3.42Å; A217-R220 PolarHBondContact O-N 3.47Å; V218-R220 PolarHBondContact O-N 3.38Å; R220-R222 PolarHBondContact O-N 3.3Å; R220-G223 PolarHBondContact O-N 3.17Å; R220-C224 PolarHBondContact O-N 3.01Å
221	L	48.3	Very low	57.3	Low	33 Å²	33	63.6 Å²	63.6	17%	0.173	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-40	178.8	-70.3	165.2	0	0	0	113.6	L176 A217 V218 G223 C224 V258 M261	L176-L221 HydrophobicContact CD1-CD2 4.11Å; L176-L221 HydrophobicContact CG-CD2 4.36Å; A217-L221 PolarHBondContact O-N 3.26Å; V218-L221 PolarHBondContact O-N 3.49Å; L221-G223 PolarHBondContact O-N 3.33Å; L221-G223 VanDerWaalsContact O-N 3.14Å; L221-C224 WeakPolarHBondContact O-CB 3.34Å; L221-C224 PolarHBondContact O-N 3.43Å; L221-V258 HydrophobicContact CD1-CG2 3.72Å; L221-V258 HydrophobicContact CD2-CG2 4.01Å; L221-M261 HydrophobicContact CD1-CE 4.07Å
222	R	48.2	Very low	59.9	Low	151 Å²	151	57 Å²	57	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-59.5	-24	176	-89.5	-167.7	177.5	171.6	7.1	113.3	V218 R220 H225 E697 H721	V218-R222 PolarHBondContact O-N 3.23Å; R220-R222 PolarHBondContact O-N 3.3Å; R222-H225 PolarHBondContact O-CE1 3.21Å; R222-H225 PolarHBondContact O-ND1 2.85Å; R222-E697 IonicContact CZ-OE2 3.53Å; R222-E697 IonicContact NH1-OE2 2.86Å; R222-E697 IonicContact NH2-OE2 3.36Å; R222-E697 PolarHBondContact NH2-OE2 3.37Å; R222-H721 PolarHBondContact NH2-CE1 2.91Å; R222-H721 VanDerWaalsContact NH2-CE1 3.31Å; R222-H721 PolarHBondContact NH2-NE2 3.4Å; R222-H721 VanDerWaalsContact NH2-NE2 3.15Å
223	G	54.5	Low	62.3	Low	10 Å²	10	51.6 Å²	51.6	10%	0.103	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	2	176.8	0	0	0	0	0	114.4	R220 L221 H225 D226	R220-G223 PolarHBondContact O-N 3.17Å; L221-G223 PolarHBondContact O-N 3.33Å; L221-G223 VanDerWaalsContact O-N 3.14Å; G223-H225 VanDerWaalsContact C-N 3.29Å; G223-H225 PolarHBondContact O-N 2.74Å; G223-D226 WeakPolarHBondContact O-CB 3.5Å; G223-D226 PolarHBondContact O-N 2.69Å; G223-D226 VanDerWaalsContact O-N 3.12Å
224	C	61.6	Low	64.1	Low	3 Å²	3	49.6 Å²	49.6	2%	0.02	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-64.4	-34.2	-177.9	-74.7	0	0	0	0	112.5	L176 R220 L221 D226 L227 F232	L176-C224 HydrophobicContact CD2-CB 4.38Å; R220-C224 PolarHBondContact O-N 3.01Å; L221-C224 WeakPolarHBondContact O-CB 3.34Å; L221-C224 PolarHBondContact O-N 3.43Å; C224-D226 PolarHBondContact O-N 2.95Å; C224-L227 WeakPolarHBondContact O-CB 3.28Å; C224-L227 PolarHBondContact O-N 3.08Å; C224-F232 HydrophobicContact CB-CE1 4.38Å; C224-F232 HydrophobicContact CB-CE2 4.03Å; C224-F232 HydrophobicContact CB-CZ 3.72Å
225	H	61	Low	65.9	Low	94 Å²	94	44.3 Å²	44.3	44%	0.435	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-59.1	-27.2	174.2	71	-49.4	0	0	0	113.5	R222 G223 L227	R222-H225 PolarHBondContact O-CE1 3.21Å; R222-H225 PolarHBondContact O-ND1 2.85Å; G223-H225 VanDerWaalsContact C-N 3.29Å; G223-H225 PolarHBondContact O-N 2.74Å; H225-L227 VanDerWaalsContact C-N 3.33Å
226	D	67.9	Low	67.8	Low	62 Å²	62	42.3 Å²	42.3	33%	0.332	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-80	-17.8	178.1	-58.3	-46	0	0	0	112.2	L190 G223 C224 I228	L190-D226 WeakPolarHBondContact CD1-O 3.28Å; G223-D226 WeakPolarHBondContact O-CB 3.5Å; G223-D226 PolarHBondContact O-N 2.69Å; G223-D226 VanDerWaalsContact O-N 3.12Å; C224-D226 PolarHBondContact O-N 2.95Å; D226-I228 PolarHBondContact O-N 3.47Å
227	L	82.3	Confident	69.6	Low	18 Å²	18	36.2 Å²	36.2	9%	0.094	17%	0.174	C	C	.	.			trans	-81.9	63.8	-178.9	-55.2	-177.5	0	0	0	111	A11 R12 A15 K185 L190 C224 H225 N229 I230 F232	A11-L227 HydrophobicContact CB-CD1 4.11Å; R12-L227 HydrophobicContact CG-CD1 4.06Å; A15-L227 HydrophobicContact CB-CD2 3.76Å; K185-L227 PolarHBondContact NZ-O 2.7Å; L190-L227 HydrophobicContact CD1-CD2 3.98Å; C224-L227 WeakPolarHBondContact O-CB 3.28Å; C224-L227 PolarHBondContact O-N 3.08Å; H225-L227 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.34Å; L227-I230 HydrophobicContact CB-CB 4.19Å; L227-I230 HydrophobicContact CB-CG1 4.08Å; L227-I230 PolarHBondContact O-N 3Å; L227-I230 VanDerWaalsContact O-N 3.11Å; L227-F232 HydrophobicContact CB-CZ 4.09Å; L227-F232 HydrophobicContact CD1-CZ 4.13Å
228	I	85.8	Confident	71.2	Confident	58 Å²	58	36.8 Å²	36.8	30%	0.297	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.5	-177.6	60.4	169.9	0	0	0	114	V183 K185 S186 L190 D226	V183-I228 HydrophobicContact CG1-CG2 4.41Å; K185-I228 CarbonylContact C-O 3.56Å; K185-I228 WeakPolarHBondContact CA-O 3.37Å; K185-I228 WeakPolarHBondContact CB-O 3.37Å; K185-I228 WeakPolarHBondContact CD-O 3.45Å; S186-I228 PolarHBondContact N-O 3.05Å; L190-I228 HydrophobicContact CD2-CD1 4.22Å; L190-I228 HydrophobicContact CD2-CG1 3.84Å; D226-I228 PolarHBondContact O-N 3.47Å
229	N	90.7	Very high	72.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.2	-179.4	75.5	-14.4	0	0	0	114.7	A15 R162 L163 S186 E188 L227	A15-N229 WeakPolarHBondContact CA-OD1 3.34Å; A15-N229 VanDerWaalsContact CB-OD1 3.28Å; A15-N229 WeakPolarHBondContact CB-OD1 3.23Å; A15-N229 PolarHBondContact O-ND2 3.46Å; R162-N229 PolarHBondContact NH1-O 2.96Å; R162-N229 PolarHBondContact NH2-ND2 3.48Å; L163-N229 PolarHBondContact N-O 3.42Å; S186-N229 WeakPolarHBondContact O-CA 3.47Å; S186-N229 WeakPolarHBondContact O-CB 3.38Å; E188-N229 WeakPolarHBondContact O-CB 3.45Å; E188-N229 PolarHBondContact O-ND2 2.75Å; L227-N229 PolarHBondContact O-N 3.34Å
230	I	91.7	Very high	74.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.4	172.6	-56.7	-60.1	0	0	0	109	A11 A14 A15 L161 R162 K185 L227 F232 I247	A11-I230 HydrophobicContact CB-CG1 4.48Å; A11-I230 HydrophobicContact CB-CG2 4.13Å; A14-I230 HydrophobicContact CB-CD1 4Å; A15-I230 HydrophobicContact CB-CD1 4.26Å; A15-I230 HydrophobicContact CB-CG1 4Å; L161-I230 CarbonylContact O-C 3.57Å; L161-I230 WeakPolarHBondContact O-CA 3.47Å; R162-I230 HydrophobicContact CB-CD1 4.47Å; K185-I230 WeakPolarHBondContact CE-O 3.45Å; K185-I230 PolarHBondContact NZ-O 2.87Å; L227-I230 HydrophobicContact CB-CB 4.19Å; L227-I230 HydrophobicContact CB-CG1 4.08Å; L227-I230 PolarHBondContact O-N 3Å; L227-I230 VanDerWaalsContact O-N 3.11Å; I230-F232 HydrophobicContact CB-CE1 4.35Å; I230-F232 HydrophobicContact CB-CZ 4.18Å; I230-F232 HydrophobicContact CG2-CD1 3.91Å; I230-F232 HydrophobicContact CG2-CE1 3.61Å; I230-F232 HydrophobicContact CG2-CE2 4.46Å; I230-F232 HydrophobicContact CG2-CG 4.45Å; I230-F232 HydrophobicContact CG2-CZ 3.92Å; I230-I247 HydrophobicContact CD1-CD1 3.97Å; I230-I247 HydrophobicContact CG2-CD1 4.38Å
231	G	90	Very high	76.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.5	164.5	0	0	0	0	0	109.2	L157 D160 L161	L157-G231 VanDerWaalsContact CD2-CA 3.41Å; D160-G231 CarbonylContact C-O 3.48Å; D160-G231 WeakPolarHBondContact CA-O 3.47Å; L161-G231 PolarHBondContact N-O 3.21Å; L161-G231 PolarHBondContact O-N 3Å
232	F	87.6	Confident	78.1	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.			trans	-97.3	148.4	-174	-57.8	-78.1	0	0	0	112.1	A11 L157 D160 E173 L176 C224 L227 I230 G234 T235 E254	A11-F232 HydrophobicContact CB-CE1 3.94Å; L157-F232 WeakPolarHBondContact CB-O 3.37Å; D160-F232 WeakPolarHBondContact OD1-CA 3.3Å; E173-F232 WeakPolarHBondContact OE1-CD2 3.27Å; L176-F232 HydrophobicContact CD2-CB 4.05Å; L176-F232 HydrophobicContact CD2-CD1 4.21Å; L176-F232 HydrophobicContact CD2-CD2 4.02Å; L176-F232 HydrophobicContact CD2-CG 3.83Å; C224-F232 HydrophobicContact CB-CE1 4.38Å; C224-F232 HydrophobicContact CB-CE2 4.03Å; C224-F232 HydrophobicContact CB-CZ 3.72Å; L227-F232 HydrophobicContact CB-CZ 4.09Å; L227-F232 HydrophobicContact CD1-CZ 4.13Å; I230-F232 HydrophobicContact CB-CE1 4.35Å; I230-F232 HydrophobicContact CB-CZ 4.18Å; I230-F232 HydrophobicContact CG2-CD1 3.91Å; I230-F232 HydrophobicContact CG2-CE1 3.61Å; I230-F232 HydrophobicContact CG2-CE2 4.46Å; I230-F232 HydrophobicContact CG2-CG 4.45Å; I230-F232 HydrophobicContact CG2-CZ 3.92Å; F232-G234 PolarHBondContact O-N 3.12Å; F232-T235 HydrophobicContact CB-CG2 3.92Å; F232-T235 PolarHBondContact O-N 2.94Å; F232-T235 PolarHBondContact O-OG1 2.92Å; F232-E254 HydrophobicContact CD1-CB 4.09Å; F232-E254 HydrophobicContact CD1-CG 4.03Å; F232-E254 HydrophobicContact CE1-CB 4.42Å; F232-E254 HydrophobicContact CE1-CG 3.95Å
233	M	84.1	Confident	80.3	Confident	22 Å²	22	25.8 Å²	25.8	11%	0.108	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.8	174.1	-172.3	171.7	87.2	0	0	110.8	L51 A159 D160 S253 F255	L51-M233 HydrophobicContact CD1-CE 4.47Å; A159-M233 PolarHBondContact O-N 3.45Å; D160-M233 PolarHBondContact OD1-N 3.03Å; M233-S253 WeakPolarHBondContact CE-OG 3.34Å; M233-F255 HydrophobicContact CB-CB 4.09Å; M233-F255 HydrophobicContact CE-CB 4.01Å; M233-F255 HydrophobicContact CE-CD1 3.31Å; M233-F255 HydrophobicContact CE-CE1 3.99Å; M233-F255 HydrophobicContact CE-CG 4.02Å; M233-F255 WeakPolarHBondContact O-CD2 3.32Å
234	G	77.2	Confident	82.2	Confident	15 Å²	15	25.3 Å²	25.3	16%	0.155	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-13.3	177.7	0	0	0	0	0	115.9	R156 L157 F232	R156-G234 PolarHBondContact NH1-O 3.35Å; L157-G234 PolarHBondContact O-N 3.45Å; F232-G234 PolarHBondContact O-N 3.12Å
235	T	80.4	Confident	83.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.			trans	-73.8	149.1	177.9	64.5	0	0	0	0	111.8	R156 L157 D172 E173 F232	R156-T235 WeakPolarHBondContact CA-O 3.48Å; L157-T235 PolarHBondContact N-O 2.87Å; D172-T235 WeakPolarHBondContact O-CB 3.41Å; E173-T235 HydrophobicContact CB-CG2 4.24Å; E173-T235 HydrophobicContact CG-CG2 4.05Å; F232-T235 HydrophobicContact CB-CG2 3.92Å; F232-T235 PolarHBondContact O-N 2.94Å; F232-T235 PolarHBondContact O-OG1 2.92Å
236	L	80.9	Confident	85.4	Confident	49 Å²	49	20.7 Å²	20.7	26%	0.257	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.7	-175.8	177.4	70.6	0	0	0	111.3	G154 R156 M171 D172 C238	G154-L236 WeakPolarHBondContact O-CD1 3.39Å; R156-L236 HydrophobicContact CG-CD1 4.05Å; M171-L236 CarbonylContact C-O 3.41Å; M171-L236 VanDerWaalsContact CA-O 3.29Å; M171-L236 WeakPolarHBondContact CA-O 3.45Å; D172-L236 HydrophobicContact CB-CB 4.31Å; D172-L236 PolarHBondContact N-O 3.48Å; D172-L236 PolarHBondContact O-N 2.92Å; D172-L236 VanDerWaalsContact O-N 3.16Å; L236-C238 PolarHBondContact O-N 3.1Å
237	V	84.7	Confident	86.6	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.2	171.4	-177.4	0	0	0	0	109.9	L151 S152 G154 D155 L157 L169 M171	L151-V237 HydrophobicContact CB-CG2 4.27Å; S152-V237 WeakPolarHBondContact O-CB 3.4Å; G154-V237 PolarHBondContact N-O 2.65Å; D155-V237 PolarHBondContact O-N 3.3Å; L157-V237 HydrophobicContact CD1-CG2 3.65Å; L169-V237 HydrophobicContact CD1-CG1 3.65Å; M171-V237 HydrophobicContact CE-CG2 4.08Å
238	C	77.7	Confident	86.9	Confident	20 Å²	20	16.9 Å²	16.9	14%	0.135	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-37.3	-177.7	-64	0	0	0	0	113.5	V153 R170 D172 A182 L236	V153-C238 WeakPolarHBondContact CG1-O 3.41Å; R170-C238 PolarHBondContact O-N 2.65Å; D172-C238 WeakPolarHBondContact CB-SG 3.26Å; D172-C238 PolarHBondContact N-SG 2.95Å; A182-C238 HydrophobicContact CB-CB 4.16Å; L236-C238 PolarHBondContact O-N 3.1Å
239	S	76.4	Confident	87.1	Confident	36 Å²	36	14.4 Å²	14.4	25%	0.252	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	159.4	-179.2	68.2	0	0	0	0	110.4	D168 L169 R170	D168-S239 CarbonylContact O-C 3.51Å; D168-S239 PolarHBondContact O-OG 2.96Å; L169-S239 WeakPolarHBondContact CA-O 3.19Å; R170-S239 WeakPolarHBondContact CB-OG 3.49Å; R170-S239 WeakPolarHBondContact CG-OG 3.48Å; R170-S239 PolarHBondContact N-O 3.19Å; R170-S239 PolarHBondContact O-N 3.29Å
240	G	79.6	Confident	86.6	Confident	18 Å²	18	14.5 Å²	14.5	19%	0.186	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.3	-176.8	177.6	0	0	0	0	0	114.1	V153 T167 D168	V153-G240 VanDerWaalsContact CG2-O 3.23Å; V153-G240 WeakPolarHBondContact CG2-O 3.48Å; T167-G240 CarbonylContact O-C 3.47Å; T167-G240 WeakPolarHBondContact O-CA 3.42Å; D168-G240 WeakPolarHBondContact O-CA 3.26Å
241	T	87.8	Confident	85.9	Confident	67 Å²	67	17.7 Å²	17.7	41%	0.411	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.1	176.6	57	0	0	0	0	109.8	L151 T167	L151-T241 WeakPolarHBondContact O-CA 3.41Å; T167-T241 PolarHBondContact N-O 3.49Å; T167-T241 PolarHBondContact O-N 3.39Å
242	G	90.9	Very high	85.6	Confident	6 Å²	6	23.1 Å²	23.1	6%	0.062	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	169.2	-179.3	0	0	0	0	0	113.6	L151 D165	L151-G242 WeakPolarHBondContact CB-O 3.28Å; L151-G242 PolarHBondContact N-O 2.88Å; L151-G242 PolarHBondContact O-N 3.44Å; L151-G242 VanDerWaalsContact O-N 3.08Å; D165-G242 WeakPolarHBondContact O-CA 3.2Å
243	K	93.9	Very high	85.4	Confident	62 Å²	62	23.2 Å²	23.2	27%	0.27	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	155.9	163.8	-66	177.2	-172.9	140.1	0	110.1	I148 V149 F164 D165	I148-K243 HydrophobicContact CG2-CB 4.32Å; I148-K243 HydrophobicContact CG2-CD 4.47Å; V149-K243 CarbonylContact O-C 3.39Å; V149-K243 WeakPolarHBondContact O-CA 3.3Å; F164-K243 HydrophobicContact CD1-CB 4.37Å; F164-K243 HydrophobicContact CD2-CB 4.22Å; F164-K243 HydrophobicContact CE1-CB 4.02Å; F164-K243 HydrophobicContact CE2-CB 3.85Å; F164-K243 HydrophobicContact CE2-CD 4.13Å; F164-K243 HydrophobicContact CG-CB 4.47Å; F164-K243 HydrophobicContact CZ-CB 3.74Å; F164-K243 HydrophobicContact CZ-CD 4.4Å; F164-K243 PolarHBondContact N-O 2.91Å; F164-K243 CarbonylContact O-C 3.5Å; F164-K243 WeakPolarHBondContact O-CA 3.02Å; F164-K243 PolarHBondContact O-N 2.9Å; D165-K243 HydrophobicContact CB-CB 4.4Å; D165-K243 HydrophobicContact CB-CD 4.38Å; D165-K243 IonicContact OD2-NZ 3.92Å; D165-K243 PolarHBondContact OD2-NZ 3.38Å
244	G	94	Very high	85.1	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	133	-179.5	0	0	0	0	0	112	I148 V149 R162	I148-G244 CarbonylContact C-O 3.59Å; I148-G244 WeakPolarHBondContact CA-O 3.49Å; V149-G244 PolarHBondContact N-O 2.86Å; V149-G244 PolarHBondContact O-N 3.29Å; R162-G244 CarbonylContact O-C 3.51Å; R162-G244 WeakPolarHBondContact O-CA 3.43Å
245	L	95	Very high	85	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.8	173.6	178.2	66	0	0	0	109.2	L22 F26 V28 G146 I148 L161 R162 F164 I247	L22-L245 HydrophobicContact CB-CD2 3.73Å; F26-L245 HydrophobicContact CD2-CD2 4.03Å; F26-L245 HydrophobicContact CD2-CG 4.45Å; V28-L245 HydrophobicContact CG1-CD1 3.67Å; G146-L245 WeakPolarHBondContact O-CD1 3.28Å; I148-L245 HydrophobicContact CG1-CD1 4.32Å; L161-L245 CarbonylContact C-O 3.59Å; L161-L245 WeakPolarHBondContact CA-O 3.39Å; R162-L245 HydrophobicContact CB-CB 4.45Å; R162-L245 PolarHBondContact N-O 3.39Å; R162-L245 PolarHBondContact O-N 2.88Å; F164-L245 HydrophobicContact CD1-CB 4.45Å; F164-L245 HydrophobicContact CE1-CB 4.09Å; L245-I247 PolarHBondContact O-N 2.95Å
246	V	94.7	Very high	84.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	119.5	-179.1	-179.9	0	0	0	0	110.8	L143 G146 D147 V149 A159 L161 T249	L143-V246 HydrophobicContact CD2-CG2 4.03Å; G146-V246 PolarHBondContact N-O 3.07Å; D147-V246 HydrophobicContact CB-CB 4.47Å; D147-V246 HydrophobicContact CB-CG2 3.87Å; D147-V246 WeakPolarHBondContact O-CG2 3.48Å; D147-V246 PolarHBondContact O-N 3.04Å; V149-V246 HydrophobicContact CG2-CG2 3.82Å; A159-V246 HydrophobicContact CB-CG1 3.96Å; A159-V246 HydrophobicContact CB-CG2 4.45Å; L161-V246 HydrophobicContact CD2-CB 4.23Å; L161-V246 HydrophobicContact CD2-CG2 3.57Å; V246-T249 HydrophobicContact CG1-CG2 3.47Å; V246-T249 VanDerWaalsContact CG1-CG2 3.47Å
247	I	93.2	Very high	84.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-29.2	179.8	54.7	166.9	0	0	0	113.3	H8 I9 A14 F26 D160 R162 I230 L245	H8-I247 WeakPolarHBondContact CA-O 3.45Å; I9-I247 HydrophobicContact CG2-CB 3.61Å; I9-I247 HydrophobicContact CG2-CG2 3.73Å; I9-I247 PolarHBondContact N-O 3.02Å; I9-I247 VanDerWaalsContact N-O 3.09Å; A14-I247 HydrophobicContact CB-CD1 3.67Å; A14-I247 HydrophobicContact CB-CG2 4.09Å; F26-I247 HydrophobicContact CE2-CG2 4.22Å; D160-I247 HydrophobicContact CB-CD1 4.26Å; D160-I247 HydrophobicContact CB-CG1 3.84Å; D160-I247 VanDerWaalsContact O-CG1 3.24Å; D160-I247 WeakPolarHBondContact O-CG1 3.43Å; D160-I247 PolarHBondContact O-N 3.25Å; R162-I247 HydrophobicContact CB-CG2 3.89Å; I230-I247 HydrophobicContact CD1-CD1 3.97Å; I230-I247 HydrophobicContact CG2-CD1 4.38Å; L245-I247 PolarHBondContact O-N 2.95Å
248	G	89.4	Confident	83.5	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	135	-177	0	0	0	0	0	111	A159 D160	A159-G248 WeakPolarHBondContact CB-O 3.19Å; D160-G248 PolarHBondContact N-O 3.02Å
249	T	89.3	Confident	83	Confident	6 Å²	6	22 Å²	22	4%	0.037	12%	0.118	C	C	.	.			trans	-126.8	152.8	177.9	62.1	0	0	0	0	110.4	H8 N49 P145 A159 V246 E251 H252	H8-T249 PolarHBondContact CE1-OG1 3.48Å; N49-T249 HydrophobicContact CB-CG2 4.33Å; N49-T249 WeakPolarHBondContact OD1-CA 3.42Å; N49-T249 VanDerWaalsContact OD1-CB 3.31Å; N49-T249 WeakPolarHBondContact OD1-CB 3.35Å; P145-T249 HydrophobicContact CG-CG2 4.4Å; A159-T249 HydrophobicContact CB-CG2 4.18Å; V246-T249 HydrophobicContact CG1-CG2 3.47Å; V246-T249 VanDerWaalsContact CG1-CG2 3.47Å; T249-E251 PolarHBondContact O-N 3.3Å; T249-H252 WeakPolarHBondContact O-CB 3.48Å; T249-H252 PolarHBondContact O-N 2.91Å
250	G	80.4	Confident	82.9	Confident	3 Å²	3	26.1 Å²	26.1	3%	0.031	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	52.2	-127.7	175.6	0	0	0	0	0	112.8	N49 H252 S253 G256	N49-G250 PolarHBondContact OD1-N 3.11Å; G250-H252 PolarHBondContact O-N 3.2Å; G250-H252 VanDerWaalsContact O-N 3.15Å; G250-S253 PolarHBondContact O-N 3.36Å; G250-S253 PolarHBondContact O-OG 2.85Å; G250-G256 WeakPolarHBondContact O-CA 3.47Å
251	E	76.6	Confident	82.4	Confident	67 Å²	67	26.4 Å²	26.4	31%	0.313	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-61.1	-17.7	179	-66.8	177.8	-171.3	0	0	114.4	L51 K52 T249	L51-E251 HydrophobicContact CD2-CG 4.38Å; K52-E251 WeakPolarHBondContact CB-OE1 3.23Å; T249-E251 PolarHBondContact O-N 3.3Å
252	H	84.3	Confident	81.6	Confident	114 Å²	114	23.2 Å²	23.2	53%	0.528	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-93.5	-1.2	-179.7	-62.5	-59.6	0	0	0	113.9	H8 T249 G250	H8-H252 HydrophobicContact CB-CB 4.19Å; H8-H252 AromaticContact CD2-CD2 3.35Å; H8-H252 PolarHBondContact CD2-CD2 3.24Å; H8-H252 AromaticContact CD2-CG 3.7Å; H8-H252 AromaticContact CG-CG 3.98Å; H8-H252 AromaticContact NE2-CD2 3.4Å; H8-H252 PolarHBondContact NE2-CD2 2.91Å; T249-H252 WeakPolarHBondContact O-CB 3.48Å; T249-H252 PolarHBondContact O-N 2.91Å; G250-H252 PolarHBondContact O-N 3.2Å; G250-H252 VanDerWaalsContact O-N 3.15Å
253	S	84	Confident	80.6	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.014	12%	0.12	C	C	.	.	S	Bend	trans	-79.1	159.4	168.2	64.1	0	0	0	0	111.3	D160 M233 G250 F255 G256 E257	D160-S253 WeakPolarHBondContact OD2-CA 3.37Å; D160-S253 WeakPolarHBondContact OD2-CB 3.38Å; M233-S253 WeakPolarHBondContact CE-OG 3.34Å; G250-S253 PolarHBondContact O-N 3.36Å; G250-S253 PolarHBondContact O-OG 2.85Å; S253-F255 PolarHBondContact O-N 2.65Å; S253-G256 CarbonylContact O-C 3.6Å; S253-G256 WeakPolarHBondContact O-CA 3.22Å; S253-G256 PolarHBondContact O-N 3.45Å; S253-G256 PolarHBondContact OG-N 2.72Å; S253-E257 PolarHBondContact O-N 3.09Å
254	E	77.1	Confident	79.5	Confident	10 Å²	10	27.9 Å²	27.9	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-35.1	173.8	-65.5	-61.6	150.9	0	0	111.2	N10 A11 D160 F232 E257 V258	N10-E254 PolarHBondContact ND2-OE1 3.17Å; N10-E254 PolarHBondContact OD1-OE1 3.26Å; A11-E254 HydrophobicContact CB-CG 3.78Å; D160-E254 PolarHBondContact OD2-N 3.47Å; F232-E254 HydrophobicContact CD1-CB 4.09Å; F232-E254 HydrophobicContact CD1-CG 4.03Å; F232-E254 HydrophobicContact CE1-CB 4.42Å; F232-E254 HydrophobicContact CE1-CG 3.95Å; E254-E257 WeakPolarHBondContact O-CB 3.32Å; E254-E257 PolarHBondContact O-N 3.42Å; E254-V258 PolarHBondContact O-N 2.64Å
255	F	74.5	Confident	78.4	Confident	15 Å²	15	30.4 Å²	30.4	7%	0.066	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-37.9	172	-170.7	-88.8	0	0	0	112.2	L176 M233 S253 E257 V258 F259 V743 V765	L176-F255 HydrophobicContact CD1-CD2 4.35Å; M233-F255 HydrophobicContact CB-CB 4.09Å; M233-F255 HydrophobicContact CE-CB 4.01Å; M233-F255 HydrophobicContact CE-CD1 3.31Å; M233-F255 HydrophobicContact CE-CE1 3.99Å; M233-F255 HydrophobicContact CE-CG 4.02Å; M233-F255 WeakPolarHBondContact O-CD2 3.32Å; S253-F255 PolarHBondContact O-N 2.65Å; F255-E257 VanDerWaalsContact C-N 3.33Å; F255-V258 PolarHBondContact O-N 2.85Å; F255-F259 PolarHBondContact O-N 3.22Å; F255-V743 HydrophobicContact CD2-CG2 4.11Å; F255-V743 HydrophobicContact CE2-CG2 3.47Å; F255-V743 VanDerWaalsContact CE2-CG2 3.47Å; F255-V743 HydrophobicContact CZ-CG2 4.3Å; F255-V765 HydrophobicContact CD1-CG2 3.87Å; F255-V765 HydrophobicContact CE1-CB 4.27Å; F255-V765 HydrophobicContact CE1-CG2 3.02Å; F255-V765 HydrophobicContact CE2-CB 4.44Å; F255-V765 HydrophobicContact CE2-CG2 3.89Å; F255-V765 HydrophobicContact CZ-CB 3.86Å; F255-V765 HydrophobicContact CZ-CG2 3.04Å
256	G	73.5	Confident	77.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-33.4	173.8	0	0	0	0	0	113.5	G250 S253 F259 R260	G250-G256 WeakPolarHBondContact O-CA 3.47Å; S253-G256 CarbonylContact O-C 3.6Å; S253-G256 WeakPolarHBondContact O-CA 3.22Å; S253-G256 PolarHBondContact O-N 3.45Å; S253-G256 PolarHBondContact OG-N 2.72Å; G256-F259 WeakPolarHBondContact O-CB 3.48Å; G256-F259 PolarHBondContact O-N 3.07Å; G256-R260 WeakPolarHBondContact O-CB 3.47Å; G256-R260 PolarHBondContact O-N 3.39Å
257	E	72.9	Confident	76.1	Confident	37 Å²	37	40.7 Å²	40.7	17%	0.173	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-45.1	172.2	-175.9	65	-151.7	0	0	111	A217 S253 E254 F255 F259 R260 M261	A217-E257 HydrophobicContact CB-CG 4.05Å; S253-E257 PolarHBondContact O-N 3.09Å; E254-E257 WeakPolarHBondContact O-CB 3.32Å; E254-E257 PolarHBondContact O-N 3.42Å; F255-E257 VanDerWaalsContact C-N 3.33Å; E257-F259 VanDerWaalsContact C-N 3.29Å; E257-F259 PolarHBondContact O-N 3.5Å; E257-R260 PolarHBondContact O-N 3.3Å; E257-R260 IonicContact OE1-CZ 3.6Å; E257-R260 IonicContact OE1-NE 2.69Å; E257-R260 IonicContact OE1-NH2 2.77Å; E257-R260 PolarHBondContact OE1-NH2 3.03Å; E257-R260 IonicContact OE2-CZ 3.93Å; E257-R260 IonicContact OE2-NE 2.74Å; E257-R260 IonicContact OE2-NH1 2.61Å; E257-R260 PolarHBondContact OE2-NH1 3.23Å; E257-R260 IonicContact OE2-NH2 3.04Å; E257-R260 PolarHBondContact OE2-NH2 3.47Å; E257-M261 HydrophobicContact CG-CE 4.38Å; E257-M261 WeakPolarHBondContact O-CG 3.39Å; E257-M261 PolarHBondContact O-N 2.91Å
258	V	68.8	Low	75.4	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-42.1	173.1	-179.1	0	0	0	0	111	L221 E254 F255 R260 M261 M262 V743	L221-V258 HydrophobicContact CD1-CG2 3.72Å; L221-V258 HydrophobicContact CD2-CG2 4.01Å; E254-V258 PolarHBondContact O-N 2.64Å; F255-V258 PolarHBondContact O-N 2.85Å; V258-R260 VanDerWaalsContact C-N 3.32Å; V258-R260 PolarHBondContact O-N 3.39Å; V258-M261 HydrophobicContact CB-CE 4.41Å; V258-M261 HydrophobicContact CG2-CE 4.11Å; V258-M261 PolarHBondContact O-N 3.27Å; V258-M262 WeakPolarHBondContact O-CB 3.34Å; V258-M262 PolarHBondContact O-N 3.36Å; V258-V743 HydrophobicContact CB-CG1 4.17Å; V258-V743 HydrophobicContact CG1-CG1 3.56Å; V258-V743 HydrophobicContact CG2-CG1 4.39Å
259	F	67.7	Low	74.8	Confident	13 Å²	13	50.2 Å²	50.2	6%	0.057	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-40.5	176.1	-171	-95.3	0	0	0	112.7	L51 F255 G256 E257 M262 H263 V765 E768	L51-F259 HydrophobicContact CB-CD1 3.94Å; L51-F259 HydrophobicContact CB-CE1 3.59Å; L51-F259 HydrophobicContact CB-CE2 4.33Å; L51-F259 HydrophobicContact CB-CG 4.45Å; L51-F259 HydrophobicContact CB-CZ 3.76Å; L51-F259 HydrophobicContact CD1-CB 4.22Å; L51-F259 HydrophobicContact CD1-CD1 4.09Å; L51-F259 HydrophobicContact CD1-CD2 3.63Å; L51-F259 HydrophobicContact CD1-CE1 4.27Å; L51-F259 HydrophobicContact CD1-CE2 3.76Å; L51-F259 HydrophobicContact CD1-CG 3.74Å; L51-F259 HydrophobicContact CD1-CZ 4.08Å; L51-F259 HydrophobicContact CD2-CB 4.16Å; L51-F259 HydrophobicContact CD2-CD1 3.9Å; L51-F259 HydrophobicContact CD2-CE1 4.44Å; L51-F259 HydrophobicContact CD2-CG 4.05Å; L51-F259 HydrophobicContact CG-CD1 4.19Å; L51-F259 HydrophobicContact CG-CE1 4.3Å; L51-F259 HydrophobicContact CG-CG 4.29Å; L51-F259 HydrophobicContact CG-CZ 4.47Å; F255-F259 PolarHBondContact O-N 3.22Å; G256-F259 WeakPolarHBondContact O-CB 3.48Å; G256-F259 PolarHBondContact O-N 3.07Å; E257-F259 VanDerWaalsContact C-N 3.29Å; E257-F259 PolarHBondContact O-N 3.5Å; F259-M262 HydrophobicContact CD2-CE 3.74Å; F259-M262 HydrophobicContact CE2-CE 3.89Å; F259-M262 HydrophobicContact CG-CE 4.39Å; F259-M262 PolarHBondContact O-N 3.44Å; F259-H263 AromaticContact CD1-CE1 3.83Å; F259-H263 AromaticContact CD1-ND1 3.51Å; F259-H263 AromaticContact CE1-CE1 3.16Å; F259-H263 WeakPolarHBondContact CE1-CE1 3.42Å; F259-H263 AromaticContact CE1-ND1 3.31Å; F259-H263 VanDerWaalsContact CE1-ND1 3.31Å; F259-H263 WeakPolarHBondContact CE1-ND1 3.28Å; F259-H263 AromaticContact CE1-NE2 3.97Å; F259-H263 AromaticContact CE2-CE1 3.63Å; F259-H263 AromaticContact CG-ND1 3.99Å; F259-H263 AromaticContact CZ-CE1 3.08Å; F259-H263 WeakPolarHBondContact CZ-CE1 3.14Å; F259-H263 AromaticContact CZ-ND1 3.68Å; F259-H263 AromaticContact CZ-NE2 3.95Å; F259-H263 PolarHBondContact O-N 2.69Å; F259-H263 PolarHBondContact O-ND1 3.19Å; F259-V765 HydrophobicContact CD2-CG2 4.14Å; F259-E768 HydrophobicContact CE2-CB 4.43Å; F259-E768 HydrophobicContact CE2-CG 3.76Å; F259-E768 HydrophobicContact CZ-CG 4.28Å
260	R	72.5	Confident	74.5	Confident	123 Å²	123	50.7 Å²	50.7	46%	0.464	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-45.9	176.1	-172.7	179.4	73.7	-157.5	5.7	111.4	G256 E257 V258 M262 H263 S264	G256-R260 WeakPolarHBondContact O-CB 3.47Å; G256-R260 PolarHBondContact O-N 3.39Å; E257-R260 PolarHBondContact O-N 3.3Å; E257-R260 IonicContact OE1-CZ 3.6Å; E257-R260 IonicContact OE1-NE 2.69Å; E257-R260 IonicContact OE1-NH2 2.77Å; E257-R260 PolarHBondContact OE1-NH2 3.03Å; E257-R260 IonicContact OE2-CZ 3.93Å; E257-R260 IonicContact OE2-NE 2.74Å; E257-R260 IonicContact OE2-NH1 2.61Å; E257-R260 PolarHBondContact OE2-NH1 3.23Å; E257-R260 IonicContact OE2-NH2 3.04Å; E257-R260 PolarHBondContact OE2-NH2 3.47Å; V258-R260 VanDerWaalsContact C-N 3.32Å; V258-R260 PolarHBondContact O-N 3.39Å; R260-M262 VanDerWaalsContact C-N 3.3Å; R260-M262 PolarHBondContact O-N 3.45Å; R260-H263 PolarHBondContact O-N 3.34Å; R260-H263 VanDerWaalsContact O-N 3.17Å; R260-S264 PolarHBondContact O-N 2.92Å
261	M	69.8	Low	74.5	Confident	24 Å²	24	51.1 Å²	51.1	12%	0.118	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-44.3	174.6	-72.1	-171.8	-67.8	0	0	110.9	A217 V218 L221 E257 V258 H263 S264 E265 I747	A217-M261 HydrophobicContact CB-SD 4.12Å; V218-M261 HydrophobicContact CG2-CE 4.29Å; V218-M261 HydrophobicContact CG2-SD 3.97Å; L221-M261 HydrophobicContact CD1-CE 4.07Å; E257-M261 HydrophobicContact CG-CE 4.38Å; E257-M261 WeakPolarHBondContact O-CG 3.39Å; E257-M261 PolarHBondContact O-N 2.91Å; V258-M261 HydrophobicContact CB-CE 4.41Å; V258-M261 HydrophobicContact CG2-CE 4.11Å; V258-M261 PolarHBondContact O-N 3.27Å; M261-H263 VanDerWaalsContact C-N 3.33Å; M261-H263 PolarHBondContact O-N 3.18Å; M261-S264 WeakPolarHBondContact CA-OG 3.47Å; M261-S264 PolarHBondContact O-N 3.02Å; M261-S264 PolarHBondContact O-OG 3.02Å; M261-E265 PolarHBondContact O-N 3.27Å; M261-I747 HydrophobicContact CE-CD1 4.48Å
262	M	71.4	Confident	74.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-39.2	175.6	179.7	-85.9	-68.8	0	0	112.3	V258 F259 R260 E265 K750 E768 A769	V258-M262 WeakPolarHBondContact O-CB 3.34Å; V258-M262 PolarHBondContact O-N 3.36Å; F259-M262 HydrophobicContact CD2-CE 3.74Å; F259-M262 HydrophobicContact CE2-CE 3.89Å; F259-M262 HydrophobicContact CG-CE 4.39Å; F259-M262 PolarHBondContact O-N 3.44Å; R260-M262 VanDerWaalsContact C-N 3.3Å; R260-M262 PolarHBondContact O-N 3.45Å; M262-E265 PolarHBondContact O-N 3.14Å; M262-K750 HydrophobicContact CG-CB 4.04Å; M262-K750 HydrophobicContact CG-CD 4.49Å; M262-K750 HydrophobicContact CG-CG 4.17Å; M262-K750 HydrophobicContact SD-CD 4.02Å; M262-K750 HydrophobicContact SD-CG 4.29Å; M262-E768 HydrophobicContact CE-CB 4.45Å; M262-E768 HydrophobicContact CE-CG 4.13Å; M262-A769 HydrophobicContact CE-CB 4.4Å; M262-A769 HydrophobicContact CG-CB 3.83Å; M262-A769 HydrophobicContact SD-CB 4.09Å
263	H	69.2	Low	74.5	Confident	79 Å²	79	46.5 Å²	46.5	37%	0.366	23%	0.228	S	C	.	.	H	α-helix	trans	-72.1	-27.7	175.9	-84.9	74.7	0	0	0	113.9	F259 R260 M261 E265	F259-H263 AromaticContact CD1-CE1 3.83Å; F259-H263 AromaticContact CD1-ND1 3.51Å; F259-H263 AromaticContact CE1-CE1 3.16Å; F259-H263 WeakPolarHBondContact CE1-CE1 3.42Å; F259-H263 AromaticContact CE1-ND1 3.31Å; F259-H263 VanDerWaalsContact CE1-ND1 3.31Å; F259-H263 WeakPolarHBondContact CE1-ND1 3.28Å; F259-H263 AromaticContact CE1-NE2 3.97Å; F259-H263 AromaticContact CE2-CE1 3.63Å; F259-H263 AromaticContact CG-ND1 3.99Å; F259-H263 AromaticContact CZ-CE1 3.08Å; F259-H263 WeakPolarHBondContact CZ-CE1 3.14Å; F259-H263 AromaticContact CZ-ND1 3.68Å; F259-H263 AromaticContact CZ-NE2 3.95Å; F259-H263 PolarHBondContact O-N 2.69Å; F259-H263 PolarHBondContact O-ND1 3.19Å; R260-H263 PolarHBondContact O-N 3.34Å; R260-H263 VanDerWaalsContact O-N 3.17Å; M261-H263 VanDerWaalsContact C-N 3.33Å; M261-H263 PolarHBondContact O-N 3.18Å; H263-E265 VanDerWaalsContact C-N 3.26Å
264	S	71.7	Confident	74.4	Confident	86 Å²	86	52 Å²	52	60%	0.601	25%	0.251	S	S	*	.	H	α-helix	trans	-72.2	-21.6	175.5	70.5	0	0	0	0	113.1	R260 M261 E266	R260-S264 PolarHBondContact O-N 2.92Å; M261-S264 WeakPolarHBondContact CA-OG 3.47Å; M261-S264 PolarHBondContact O-N 3.02Å; M261-S264 PolarHBondContact O-OG 3.02Å; S264-E266 PolarHBondContact O-N 3.43Å
265	E	70.7	Confident	74.5	Confident	54 Å²	54	52.4 Å²	52.4	25%	0.252	26%	0.256	S	S	.	.	S	Bend	trans	-78.7	112	175.6	-163	74.9	-163.4	0	0	110	M261 M262 H263 A267 K727 K750	M261-E265 PolarHBondContact O-N 3.27Å; M262-E265 PolarHBondContact O-N 3.14Å; H263-E265 VanDerWaalsContact C-N 3.26Å; E265-A267 PolarHBondContact O-N 3.06Å; E265-K727 VanDerWaalsContact OE1-CE 3.23Å; E265-K727 WeakPolarHBondContact OE1-CE 3.37Å; E265-K727 IonicContact OE1-NZ 3.22Å; E265-K727 PolarHBondContact OE1-NZ 2.93Å; E265-K727 IonicContact OE2-NZ 2.63Å; E265-K750 HydrophobicContact CB-CG 4.23Å
266	E	71.3	Confident	74.6	Confident	178 Å²	178	53.3 Å²	53.3	83%	0.832	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-71.2	127.2	174.9	-72.2	-172.7	174.8	0	0	110.7	S264	S264-E266 PolarHBondContact O-N 3.43Å
267	A	69.8	Low	74.7	Confident	38 Å²	38	56.8 Å²	56.8	31%	0.314	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-69	137.9	175.3	0	0	0	0	0	110.5	E265	E265-A267 PolarHBondContact O-N 3.06Å
268	P	78.7	Confident	75.1	Confident	46 Å²	46	61.1 Å²	61.1	30%	0.299	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-63.9	145.7	-179.5	26.6	-34.2	0	0	0	111.4	T270	P268-T270 PolarHBondContact O-N 3.27Å
269	R	77.1	Confident	75.6	Confident	154 Å²	154	61.7 Å²	61.7	58%	0.581	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-63.6	134.5	172.8	-70.5	-161.4	-176.1	-169.1	0.7	110.8	K274 D277	R269-K274 HydrophobicContact CB-CG 4.27Å; R269-K274 VanDerWaalsContact O-CE 3.24Å; R269-K274 WeakPolarHBondContact O-CE 3.28Å; R269-K274 PolarHBondContact O-NZ 3.15Å; R269-D277 IonicContact NH1-OD2 3.44Å; R269-D277 PolarHBondContact NH1-OD2 3.44Å
270	T	82.2	Confident	76	Confident	16 Å²	16	63 Å²	63	10%	0.098	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-71.2	154.6	-175.7	69.2	0	0	0	0	112.4	P268 L272 Q273 K274 P350 T354	P268-T270 PolarHBondContact O-N 3.27Å; T270-L272 VanDerWaalsContact C-N 3.28Å; T270-L272 PolarHBondContact O-N 3.3Å; T270-Q273 PolarHBondContact O-N 2.99Å; T270-Q273 VanDerWaalsContact O-N 3.15Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.28Å; T270-Q273 PolarHBondContact OG1-N 3.47Å; T270-K274 PolarHBondContact O-N 3.16Å; T270-P350 HydrophobicContact CG2-CB 3.76Å; T270-P350 WeakPolarHBondContact OG1-CB 3.43Å; T270-T354 WeakPolarHBondContact CB-OG1 3.48Å
271	P	81.5	Confident	76.4	Confident	11 Å²	11	64.9 Å²	64.9	7%	0.071	33%	0.329	C	S	.	.	H	α-helix	trans	-56.1	-39.9	176.8	-27.2	37	0	0	0	113.4	K274 S275 T354	P271-K274 PolarHBondContact O-N 3.39Å; P271-S275 WeakPolarHBondContact O-CB 3.48Å; P271-S275 PolarHBondContact O-N 2.85Å; P271-S275 PolarHBondContact O-OG 2.67Å; P271-T354 WeakPolarHBondContact CD-OG1 3.35Å; P271-T354 HydrophobicContact CG-CG2 4.33Å
272	L	79.9	Confident	77	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-58.5	-49.4	173.5	-177.5	62.3	0	0	0	112.1	T270 K274 S275 M276 V328 L332 E353 I796 I867	T270-L272 VanDerWaalsContact C-N 3.28Å; T270-L272 PolarHBondContact O-N 3.3Å; L272-K274 PolarHBondContact O-N 3.25Å; L272-S275 WeakPolarHBondContact O-CB 3.4Å; L272-S275 PolarHBondContact O-N 3.27Å; L272-S275 VanDerWaalsContact O-N 3.15Å; L272-M276 HydrophobicContact CD1-CG 4.22Å; L272-M276 HydrophobicContact CG-CG 4.33Å; L272-M276 WeakPolarHBondContact O-CB 3.34Å; L272-M276 VanDerWaalsContact O-CG 3.25Å; L272-M276 WeakPolarHBondContact O-CG 3.38Å; L272-M276 PolarHBondContact O-N 2.85Å; L272-V328 HydrophobicContact CD2-CG1 4.14Å; L272-L332 HydrophobicContact CD2-CD1 4Å; L272-L332 HydrophobicContact CD2-CD2 4.24Å; L272-E353 HydrophobicContact CB-CB 4.23Å; L272-E353 HydrophobicContact CB-CG 3.94Å; L272-E353 WeakPolarHBondContact CB-OE2 3.44Å; L272-E353 HydrophobicContact CD2-CB 4.18Å; L272-E353 HydrophobicContact CD2-CG 4.24Å; L272-E353 HydrophobicContact CG-CG 4.47Å; L272-E353 PolarHBondContact N-OE2 3.21Å; L272-E353 VanDerWaalsContact N-OE2 3.11Å; L272-I796 HydrophobicContact CD1-CD1 3.98Å; L272-I796 HydrophobicContact CD1-CG2 4.21Å; L272-I796 HydrophobicContact CD2-CD1 3.9Å; L272-I867 HydrophobicContact CD1-CD1 3.72Å
273	Q	79.8	Confident	77.2	Confident	79 Å²	79	70.2 Å²	70.2	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-47.2	179.6	-76.5	176.1	-19.1	0	0	111.6	T270 S275 M276 D277 P350	T270-Q273 PolarHBondContact O-N 2.99Å; T270-Q273 VanDerWaalsContact O-N 3.15Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.28Å; T270-Q273 PolarHBondContact OG1-N 3.47Å; Q273-S275 PolarHBondContact O-N 3.15Å; Q273-M276 PolarHBondContact O-N 3.41Å; Q273-D277 PolarHBondContact O-N 3.45Å; Q273-P350 HydrophobicContact CG-CB 4.34Å
274	K	82.1	Confident	77.5	Confident	117 Å²	117	69.5 Å²	69.5	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-58.5	-39.5	176.4	-69.6	174.7	-179	165.7	0	111.7	R269 T270 P271 L272 K278	R269-K274 HydrophobicContact CB-CG 4.27Å; R269-K274 VanDerWaalsContact O-CE 3.24Å; R269-K274 WeakPolarHBondContact O-CE 3.28Å; R269-K274 PolarHBondContact O-NZ 3.15Å; T270-K274 PolarHBondContact O-N 3.16Å; P271-K274 PolarHBondContact O-N 3.39Å; L272-K274 PolarHBondContact O-N 3.25Å; K274-K278 WeakPolarHBondContact O-CB 3.31Å; K274-K278 PolarHBondContact O-N 3.01Å; K274-K278 VanDerWaalsContact O-N 3.11Å
275	S	79.3	Confident	78.1	Confident	19 Å²	19	67.9 Å²	67.9	13%	0.133	35%	0.35	C	S	.	.	H	α-helix	trans	-71.3	-37.3	179.2	-59.4	0	0	0	0	112.5	P271 L272 Q273 K278 L279	P271-S275 WeakPolarHBondContact O-CB 3.48Å; P271-S275 PolarHBondContact O-N 2.85Å; P271-S275 PolarHBondContact O-OG 2.67Å; L272-S275 WeakPolarHBondContact O-CB 3.4Å; L272-S275 PolarHBondContact O-N 3.27Å; L272-S275 VanDerWaalsContact O-N 3.15Å; Q273-S275 PolarHBondContact O-N 3.15Å; S275-K278 PolarHBondContact O-N 3.45Å; S275-L279 WeakPolarHBondContact O-CB 3.48Å; S275-L279 PolarHBondContact O-N 3.37Å
276	M	76.6	Confident	78.7	Confident	34 Å²	34	70 Å²	70	17%	0.167	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-45.3	174.3	-70.5	-68.9	92.6	0	0	112	L272 Q273 K278 L279 G280 L324 V328 I800 I867	L272-M276 HydrophobicContact CD1-CG 4.22Å; L272-M276 HydrophobicContact CG-CG 4.33Å; L272-M276 WeakPolarHBondContact O-CB 3.34Å; L272-M276 VanDerWaalsContact O-CG 3.25Å; L272-M276 WeakPolarHBondContact O-CG 3.38Å; L272-M276 PolarHBondContact O-N 2.85Å; Q273-M276 PolarHBondContact O-N 3.41Å; M276-K278 VanDerWaalsContact C-N 3.27Å; M276-K278 PolarHBondContact O-N 3.47Å; M276-L279 HydrophobicContact CE-CB 4.48Å; M276-L279 HydrophobicContact CE-CD2 3.73Å; M276-L279 PolarHBondContact O-N 2.86Å; M276-G280 PolarHBondContact O-N 3.31Å; M276-L324 HydrophobicContact CE-CD2 4.45Å; M276-L324 HydrophobicContact SD-CD2 3.43Å; M276-L324 WeakPolarHBondContact SD-CD2 3Å; M276-V328 HydrophobicContact SD-CG2 4.2Å; M276-I800 HydrophobicContact CE-CD1 3.41Å; M276-I800 VanDerWaalsContact CE-CD1 3.41Å; M276-I800 HydrophobicContact SD-CD1 4.21Å; M276-I867 HydrophobicContact CE-CD1 3.28Å; M276-I867 HydrophobicContact CE-CG1 4.49Å; M276-I867 HydrophobicContact CE-CG2 4.37Å
277	D	75.1	Confident	79.2	Confident	74 Å²	74	62.1 Å²	62.1	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-58.8	-42.4	174.9	-74	-12.9	0	0	0	111	R269 Q273 K281	R269-D277 IonicContact NH1-OD2 3.44Å; R269-D277 PolarHBondContact NH1-OD2 3.44Å; Q273-D277 PolarHBondContact O-N 3.45Å; D277-K281 WeakPolarHBondContact O-CB 3.47Å; D277-K281 WeakPolarHBondContact O-CG 3.43Å; D277-K281 PolarHBondContact O-N 2.85Å
278	K	81.6	Confident	79.8	Confident	128 Å²	128	65.6 Å²	65.6	56%	0.557	34%	0.339	S	S	*	.	H	α-helix	trans	-67.2	-43	178.4	-168	177.8	-178.7	-177.9	0	111.8	K274 S275 M276 K281 H282	K274-K278 WeakPolarHBondContact O-CB 3.31Å; K274-K278 PolarHBondContact O-N 3.01Å; K274-K278 VanDerWaalsContact O-N 3.11Å; S275-K278 PolarHBondContact O-N 3.45Å; M276-K278 VanDerWaalsContact C-N 3.27Å; M276-K278 PolarHBondContact O-N 3.47Å; K278-K281 PolarHBondContact O-N 2.97Å; K278-H282 WeakPolarHBondContact CE-NE2 3.48Å; K278-H282 PolarHBondContact O-CD2 3.5Å; K278-H282 PolarHBondContact O-N 2.94Å
279	L	80.4	Confident	80.3	Confident	17 Å²	17	68.3 Å²	68.3	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-52.6	175.1	177.3	67.5	0	0	0	110.7	S275 M276 K281 H282 L283 L324 I800 L804 L868	S275-L279 WeakPolarHBondContact O-CB 3.48Å; S275-L279 PolarHBondContact O-N 3.37Å; M276-L279 HydrophobicContact CE-CB 4.48Å; M276-L279 HydrophobicContact CE-CD2 3.73Å; M276-L279 PolarHBondContact O-N 2.86Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.34Å; L279-H282 PolarHBondContact O-N 3.2Å; L279-L283 VanDerWaalsContact O-CB 3.3Å; L279-L283 WeakPolarHBondContact O-CB 3.25Å; L279-L283 PolarHBondContact O-N 2.93Å; L279-L324 HydrophobicContact CD2-CD1 4Å; L279-I800 HydrophobicContact CD2-CG2 4.19Å; L279-L804 HydrophobicContact CD1-CD1 4.29Å; L279-L868 HydrophobicContact CD1-CD1 3.19Å; L279-L868 HydrophobicContact CD1-CG 3.91Å
280	G	76.5	Confident	80.8	Confident	41 Å²	41	63.4 Å²	63.4	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-57.9	-43.6	-179.9	0	0	0	0	0	112.4	M276 L283 S284	M276-G280 PolarHBondContact O-N 3.31Å; G280-L283 PolarHBondContact O-N 3.46Å; G280-S284 VanDerWaalsContact O-CB 3.25Å; G280-S284 WeakPolarHBondContact O-CB 3.31Å; G280-S284 PolarHBondContact O-N 3.37Å
281	K	79.2	Confident	80.9	Confident	162 Å²	162	64 Å²	64	70%	0.704	34%	0.337	S	S	*	.	H	α-helix	trans	-61.7	-47.4	175.8	-76.7	178.1	-177.7	179.8	0	112.8	D277 K278 L279 A285	D277-K281 WeakPolarHBondContact O-CB 3.47Å; D277-K281 WeakPolarHBondContact O-CG 3.43Å; D277-K281 PolarHBondContact O-N 2.85Å; K278-K281 PolarHBondContact O-N 2.97Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.34Å; K281-A285 WeakPolarHBondContact O-CB 3.25Å; K281-A285 PolarHBondContact O-N 2.99Å
282	H	82.1	Confident	81	Confident	105 Å²	105	66 Å²	66	49%	0.486	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-43.8	179.1	-78	-56.6	0	0	0	111.9	K278 L279 A285 I286	K278-H282 WeakPolarHBondContact CE-NE2 3.48Å; K278-H282 PolarHBondContact O-CD2 3.5Å; K278-H282 PolarHBondContact O-N 2.94Å; L279-H282 PolarHBondContact O-N 3.2Å; H282-A285 PolarHBondContact O-N 3.23Å; H282-I286 VanDerWaalsContact O-CG1 3.28Å; H282-I286 WeakPolarHBondContact O-CG1 3.3Å; H282-I286 PolarHBondContact O-N 3.34Å
283	L	76.2	Confident	81.4	Confident	32 Å²	32	68.4 Å²	68.4	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-64.9	-45.2	-178.1	-157.7	116	0	0	0	111.6	L279 G280 A285 I286 S287 A319 P321 L804	L279-L283 VanDerWaalsContact O-CB 3.3Å; L279-L283 WeakPolarHBondContact O-CB 3.25Å; L279-L283 PolarHBondContact O-N 2.93Å; G280-L283 PolarHBondContact O-N 3.46Å; L283-A285 PolarHBondContact O-N 3.27Å; L283-I286 PolarHBondContact O-N 3.22Å; L283-S287 WeakPolarHBondContact O-CB 3.44Å; L283-S287 PolarHBondContact O-N 3.31Å; L283-S287 PolarHBondContact O-OG 3.06Å; L283-A319 WeakPolarHBondContact CD2-O 3.03Å; L283-P321 VanDerWaalsContact CD2-CD 3.44Å; L283-P321 HydrophobicContact CD2-CG 4.32Å; L283-L804 HydrophobicContact CD1-CD2 3.33Å; L283-L804 HydrophobicContact CD1-CG 4.44Å
284	S	76.1	Confident	81.7	Confident	64 Å²	64	65.3 Å²	65.3	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-40.1	175	175.9	0	0	0	0	112.5	G280 S287 L288	G280-S284 VanDerWaalsContact O-CB 3.25Å; G280-S284 WeakPolarHBondContact O-CB 3.31Å; G280-S284 PolarHBondContact O-N 3.37Å; S284-S287 WeakPolarHBondContact CA-OG 3.43Å; S284-S287 PolarHBondContact O-OG 3.43Å; S284-L288 VanDerWaalsContact O-CB 3.28Å; S284-L288 WeakPolarHBondContact O-CB 3.45Å; S284-L288 PolarHBondContact O-N 2.84Å
285	A	84	Confident	81.8	Confident	51 Å²	51	61.9 Å²	61.9	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-65.8	-45.5	176.9	0	0	0	0	0	111.9	K281 H282 L283 L288 I289	K281-A285 WeakPolarHBondContact O-CB 3.25Å; K281-A285 PolarHBondContact O-N 2.99Å; H282-A285 PolarHBondContact O-N 3.23Å; L283-A285 PolarHBondContact O-N 3.27Å; A285-L288 PolarHBondContact O-N 3.15Å; A285-I289 WeakPolarHBondContact O-CD1 3.24Å; A285-I289 VanDerWaalsContact O-CG1 3.29Å; A285-I289 WeakPolarHBondContact O-CG1 3.42Å; A285-I289 PolarHBondContact O-N 2.98Å; A285-I289 VanDerWaalsContact O-N 3.14Å
286	I	84.2	Confident	82.2	Confident	100 Å²	100	65.3 Å²	65.3	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-45.4	179.1	-68.2	166.1	0	0	0	110.6	H282 L283 L288 I289 I290	H282-I286 VanDerWaalsContact O-CG1 3.28Å; H282-I286 WeakPolarHBondContact O-CG1 3.3Å; H282-I286 PolarHBondContact O-N 3.34Å; L283-I286 PolarHBondContact O-N 3.22Å; I286-L288 PolarHBondContact O-N 3.27Å; I286-I289 PolarHBondContact O-N 2.69Å; I286-I290 HydrophobicContact CG2-CD1 3.77Å; I286-I290 WeakPolarHBondContact O-CG1 3.49Å; I286-I290 PolarHBondContact O-N 3.4Å
287	S	80.5	Confident	82.7	Confident	12 Å²	12	66.8 Å²	66.8	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-63.3	-41.9	-179.9	65.4	0	0	0	0	111.9	L283 S284 I289 I290 I291 A319	L283-S287 WeakPolarHBondContact O-CB 3.44Å; L283-S287 PolarHBondContact O-N 3.31Å; L283-S287 PolarHBondContact O-OG 3.06Å; S284-S287 WeakPolarHBondContact CA-OG 3.43Å; S284-S287 PolarHBondContact O-OG 3.43Å; S287-I289 VanDerWaalsContact C-N 3.32Å; S287-I289 PolarHBondContact O-N 3.47Å; S287-I290 PolarHBondContact O-N 3.5Å; S287-I291 WeakPolarHBondContact O-CB 3.32Å; S287-I291 WeakPolarHBondContact O-CD1 3.47Å; S287-I291 WeakPolarHBondContact O-CG1 3.46Å; S287-I291 PolarHBondContact O-N 3.28Å; S287-A319 VanDerWaalsContact CB-CB 3.41Å
288	L	83.9	Confident	83.1	Confident	110 Å²	110	63.2 Å²	63.2	58%	0.576	35%	0.348	S	S	*	.	H	α-helix	trans	-63.7	-37.9	178	-168.7	137.1	0	0	0	112.2	S284 A285 I286 S292	S284-L288 VanDerWaalsContact O-CB 3.28Å; S284-L288 WeakPolarHBondContact O-CB 3.45Å; S284-L288 PolarHBondContact O-N 2.84Å; A285-L288 PolarHBondContact O-N 3.15Å; I286-L288 PolarHBondContact O-N 3.27Å; L288-S292 VanDerWaalsContact O-CB 3.23Å; L288-S292 WeakPolarHBondContact O-CB 3.17Å; L288-S292 PolarHBondContact O-N 3.19Å; L288-S292 PolarHBondContact O-OG 3.38Å
289	I	89	Confident	83.3	Confident	104 Å²	104	61.5 Å²	61.5	53%	0.533	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-47.1	174.1	-69.5	165.2	0	0	0	110.7	A285 I286 S287 S293	A285-I289 WeakPolarHBondContact O-CD1 3.24Å; A285-I289 VanDerWaalsContact O-CG1 3.29Å; A285-I289 WeakPolarHBondContact O-CG1 3.42Å; A285-I289 PolarHBondContact O-N 2.98Å; A285-I289 VanDerWaalsContact O-N 3.14Å; I286-I289 PolarHBondContact O-N 2.69Å; S287-I289 VanDerWaalsContact C-N 3.32Å; S287-I289 PolarHBondContact O-N 3.47Å; I289-S293 WeakPolarHBondContact O-CB 3.38Å; I289-S293 PolarHBondContact O-N 3.4Å; I289-S293 PolarHBondContact O-OG 3.46Å
290	I	85.8	Confident	83.6	Confident	51 Å²	51	69.1 Å²	69.1	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-66.1	-47.3	-178.3	-66.3	169.2	0	0	0	110.7	I286 S287 S292 S293 I294 L811	I286-I290 HydrophobicContact CG2-CD1 3.77Å; I286-I290 WeakPolarHBondContact O-CG1 3.49Å; I286-I290 PolarHBondContact O-N 3.4Å; S287-I290 PolarHBondContact O-N 3.5Å; I290-S292 PolarHBondContact O-N 3.2Å; I290-S293 PolarHBondContact O-N 2.85Å; I290-I294 HydrophobicContact CG2-CD1 3.61Å; I290-I294 HydrophobicContact CG2-CG1 4.41Å; I290-I294 VanDerWaalsContact O-CG1 3.31Å; I290-I294 WeakPolarHBondContact O-CG1 3.34Å; I290-I294 PolarHBondContact O-N 3.41Å; I290-L811 HydrophobicContact CB-CD2 4.09Å; I290-L811 HydrophobicContact CD1-CD2 3.38Å; I290-L811 HydrophobicContact CG1-CD2 4.31Å; I290-L811 HydrophobicContact CG2-CD2 3.7Å; I290-L811 HydrophobicContact CG2-CG 4.44Å
291	I	84.4	Confident	84.1	Confident	28 Å²	28	70.6 Å²	70.6	14%	0.144	37%	0.373	C	S	.	.	H	α-helix	trans	-58.9	-48.8	178	-67.7	163.9	0	0	0	110.5	S287 S293 I294 V295 L315 A316	S287-I291 WeakPolarHBondContact O-CB 3.32Å; S287-I291 WeakPolarHBondContact O-CD1 3.47Å; S287-I291 WeakPolarHBondContact O-CG1 3.46Å; S287-I291 PolarHBondContact O-N 3.28Å; I291-S293 VanDerWaalsContact C-N 3.3Å; I291-S293 PolarHBondContact O-N 3Å; I291-I294 PolarHBondContact O-N 3.07Å; I291-V295 HydrophobicContact CG2-CG2 4.45Å; I291-V295 WeakPolarHBondContact O-CG2 3.36Å; I291-V295 PolarHBondContact O-N 3.06Å; I291-L315 HydrophobicContact CD1-CB 4.14Å; I291-L315 HydrophobicContact CG1-CB 3.67Å; I291-L315 HydrophobicContact CG1-CD1 4.33Å; I291-A316 HydrophobicContact CD1-CB 3.98Å
292	S	85.4	Confident	84.2	Confident	53 Å²	53	66 Å²	66	37%	0.371	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-41.4	178.9	-58.2	0	0	0	0	111.5	L288 I290 I294 V295 I296	L288-S292 VanDerWaalsContact O-CB 3.23Å; L288-S292 WeakPolarHBondContact O-CB 3.17Å; L288-S292 PolarHBondContact O-N 3.19Å; L288-S292 PolarHBondContact O-OG 3.38Å; I290-S292 PolarHBondContact O-N 3.2Å; S292-I294 PolarHBondContact O-N 2.97Å; S292-V295 PolarHBondContact O-N 3.27Å; S292-I296 WeakPolarHBondContact O-CD1 3.35Å; S292-I296 VanDerWaalsContact O-CG1 3.23Å; S292-I296 WeakPolarHBondContact O-CG1 3.37Å; S292-I296 PolarHBondContact O-N 3.05Å
293	S	88	Confident	84	Confident	55 Å²	55	63 Å²	63	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-43	178	-57.6	0	0	0	0	111.7	I289 I290 I291 I296 I297	I289-S293 WeakPolarHBondContact O-CB 3.38Å; I289-S293 PolarHBondContact O-N 3.4Å; I289-S293 PolarHBondContact O-OG 3.46Å; I290-S293 PolarHBondContact O-N 2.85Å; I291-S293 VanDerWaalsContact C-N 3.3Å; I291-S293 PolarHBondContact O-N 3Å; S293-I296 PolarHBondContact O-N 3.04Å; S293-I297 VanDerWaalsContact O-CG1 3.25Å; S293-I297 WeakPolarHBondContact O-CG1 3.22Å; S293-I297 PolarHBondContact O-N 3.38Å
294	I	85.8	Confident	84.3	Confident	14 Å²	14	68.4 Å²	68.4	7%	0.072	38%	0.38	C	S	.	.	H	α-helix	trans	-66.7	-43.1	178.8	-67.9	162.8	0	0	0	111	I290 I291 S292 I296 I297 G298 I311 L315 A815 T818	I290-I294 HydrophobicContact CG2-CD1 3.61Å; I290-I294 HydrophobicContact CG2-CG1 4.41Å; I290-I294 VanDerWaalsContact O-CG1 3.31Å; I290-I294 WeakPolarHBondContact O-CG1 3.34Å; I290-I294 PolarHBondContact O-N 3.41Å; I291-I294 PolarHBondContact O-N 3.07Å; S292-I294 PolarHBondContact O-N 2.97Å; I294-I296 VanDerWaalsContact C-N 3.31Å; I294-I296 PolarHBondContact O-N 3.01Å; I294-I297 PolarHBondContact O-N 3.39Å; I294-G298 PolarHBondContact O-N 3.21Å; I294-I311 HydrophobicContact CG2-CG2 4.29Å; I294-L315 HydrophobicContact CB-CD1 4.36Å; I294-L315 HydrophobicContact CD1-CD1 3.55Å; I294-L315 HydrophobicContact CD1-CD2 4.2Å; I294-L315 HydrophobicContact CG2-CD1 4.17Å; I294-A815 HydrophobicContact CD1-CB 3.5Å; I294-A815 HydrophobicContact CG1-CB 4.36Å; I294-T818 HydrophobicContact CG2-CG2 3.74Å
295	V	83.7	Confident	84.4	Confident	46 Å²	46	71 Å²	71	28%	0.279	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-42.8	176.6	172.9	0	0	0	0	110.7	I291 S292 G298 L299	I291-V295 HydrophobicContact CG2-CG2 4.45Å; I291-V295 WeakPolarHBondContact O-CG2 3.36Å; I291-V295 PolarHBondContact O-N 3.06Å; S292-V295 PolarHBondContact O-N 3.27Å; V295-G298 PolarHBondContact O-N 3.38Å; V295-L299 HydrophobicContact CG1-CD1 4.34Å; V295-L299 VanDerWaalsContact O-CG 3.31Å; V295-L299 WeakPolarHBondContact O-CG 3.38Å; V295-L299 PolarHBondContact O-N 2.8Å
296	I	87.9	Confident	83.8	Confident	91 Å²	91	72.6 Å²	72.6	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-47.6	176.3	-68.5	165	0	0	0	111.1	S292 S293 I294 G298 L299 F300	S292-I296 WeakPolarHBondContact O-CD1 3.35Å; S292-I296 VanDerWaalsContact O-CG1 3.23Å; S292-I296 WeakPolarHBondContact O-CG1 3.37Å; S292-I296 PolarHBondContact O-N 3.05Å; S293-I296 PolarHBondContact O-N 3.04Å; I294-I296 VanDerWaalsContact C-N 3.31Å; I294-I296 PolarHBondContact O-N 3.01Å; I296-G298 VanDerWaalsContact C-N 3.35Å; I296-G298 PolarHBondContact O-N 3.48Å; I296-L299 WeakPolarHBondContact O-CB 3.25Å; I296-L299 PolarHBondContact O-N 3.09Å; I296-F300 HydrophobicContact CG2-CD2 3.85Å; I296-F300 HydrophobicContact CG2-CE2 3.64Å; I296-F300 WeakPolarHBondContact O-CD2 3.26Å; I296-F300 PolarHBondContact O-N 3.05Å; I296-F300 VanDerWaalsContact O-N 3.08Å
297	I	87.4	Confident	83.3	Confident	64 Å²	64	71.6 Å²	71.6	33%	0.328	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-43.3	178.9	-68.4	165.3	0	0	0	110.9	S293 I294 L299 F300 Q301 L819	S293-I297 VanDerWaalsContact O-CG1 3.25Å; S293-I297 WeakPolarHBondContact O-CG1 3.22Å; S293-I297 PolarHBondContact O-N 3.38Å; I294-I297 PolarHBondContact O-N 3.39Å; I297-L299 VanDerWaalsContact C-N 3.33Å; I297-L299 PolarHBondContact O-N 3.27Å; I297-F300 CarbonylContact O-C 3.56Å; I297-F300 WeakPolarHBondContact O-CA 3.25Å; I297-F300 WeakPolarHBondContact O-CB 3.28Å; I297-F300 PolarHBondContact O-N 3.27Å; I297-F300 VanDerWaalsContact O-N 3.12Å; I297-Q301 HydrophobicContact CG2-CG 4.45Å; I297-Q301 WeakPolarHBondContact O-CG 3.44Å; I297-Q301 PolarHBondContact O-N 3.49Å; I297-L819 HydrophobicContact CD1-CD1 4.11Å
298	G	83.8	Confident	83.3	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-68	-31.3	179.1	0	0	0	0	0	113.2	I294 V295 I296 Q301 G302 R303	I294-G298 PolarHBondContact O-N 3.21Å; V295-G298 PolarHBondContact O-N 3.38Å; I296-G298 VanDerWaalsContact C-N 3.35Å; I296-G298 PolarHBondContact O-N 3.48Å; G298-Q301 PolarHBondContact O-N 2.96Å; G298-G302 PolarHBondContact O-N 3.13Å; G298-R303 PolarHBondContact O-N 3.06Å
299	L	85.5	Confident	82.8	Confident	92 Å²	92	69.1 Å²	69.1	48%	0.482	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-42.7	168.6	-74.8	170	0	0	0	110.9	V295 I296 I297 Q301 G302 I305 L308	V295-L299 HydrophobicContact CG1-CD1 4.34Å; V295-L299 VanDerWaalsContact O-CG 3.31Å; V295-L299 WeakPolarHBondContact O-CG 3.38Å; V295-L299 PolarHBondContact O-N 2.8Å; I296-L299 WeakPolarHBondContact O-CB 3.25Å; I296-L299 PolarHBondContact O-N 3.09Å; I297-L299 VanDerWaalsContact C-N 3.33Å; I297-L299 PolarHBondContact O-N 3.27Å; L299-Q301 VanDerWaalsContact C-N 3.33Å; L299-Q301 PolarHBondContact O-N 3.46Å; L299-G302 PolarHBondContact O-N 3.45Å; L299-G302 VanDerWaalsContact O-N 3.11Å; L299-I305 HydrophobicContact CD2-CG1 4.05Å; L299-L308 HydrophobicContact CB-CD1 4.49Å; L299-L308 HydrophobicContact CD2-CD1 3.72Å; L299-L308 HydrophobicContact CG-CD1 3.83Å
300	F	87.3	Confident	82.1	Confident	177 Å²	177	67 Å²	67	78%	0.776	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-32.1	175	-80.7	-66.9	0	0	0	113.4	I296 I297 G302	I296-F300 HydrophobicContact CG2-CD2 3.85Å; I296-F300 HydrophobicContact CG2-CE2 3.64Å; I296-F300 WeakPolarHBondContact O-CD2 3.26Å; I296-F300 PolarHBondContact O-N 3.05Å; I296-F300 VanDerWaalsContact O-N 3.08Å; I297-F300 CarbonylContact O-C 3.56Å; I297-F300 WeakPolarHBondContact O-CA 3.25Å; I297-F300 WeakPolarHBondContact O-CB 3.28Å; I297-F300 PolarHBondContact O-N 3.27Å; I297-F300 VanDerWaalsContact O-N 3.12Å; F300-G302 PolarHBondContact O-N 3.48Å
301	Q	85.4	Confident	81.6	Confident	72 Å²	72	65.2 Å²	65.2	34%	0.336	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.2	173.3	-71.1	176.9	-8.8	0	0	113.2	I297 G298 L299 T818 L819 S821	I297-Q301 HydrophobicContact CG2-CG 4.45Å; I297-Q301 WeakPolarHBondContact O-CG 3.44Å; I297-Q301 PolarHBondContact O-N 3.49Å; G298-Q301 PolarHBondContact O-N 2.96Å; L299-Q301 VanDerWaalsContact C-N 3.33Å; L299-Q301 PolarHBondContact O-N 3.46Å; Q301-T818 PolarHBondContact OE1-O 3.35Å; Q301-L819 PolarHBondContact NE2-O 3.27Å; Q301-S821 PolarHBondContact NE2-OG 3.16Å
302	G	81.5	Confident	81.3	Confident	64 Å²	64	64.5 Å²	64.5	66%	0.66	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	18.4	-179.9	0	0	0	0	0	114.4	G298 L299 F300	G298-G302 PolarHBondContact O-N 3.13Å; L299-G302 PolarHBondContact O-N 3.45Å; L299-G302 VanDerWaalsContact O-N 3.11Å; F300-G302 PolarHBondContact O-N 3.48Å
303	R	78.9	Confident	80.7	Confident	42 Å²	42	62.9 Å²	62.9	16%	0.158	34%	0.337	C	S	.	.			trans	-67.8	147.9	175.1	-66	-163.8	-175.2	-136.5	10.2	110.8	G298 I305 E307 L308 L822	G298-R303 PolarHBondContact O-N 3.06Å; R303-I305 PolarHBondContact O-N 3.46Å; R303-E307 IonicContact CZ-OE1 3.84Å; R303-E307 IonicContact NH1-OE1 2.71Å; R303-E307 PolarHBondContact NH1-OE1 3.15Å; R303-L308 HydrophobicContact CB-CD1 4.1Å; R303-L308 HydrophobicContact CB-CG 4.18Å; R303-L822 PolarHBondContact NH2-O 2.86Å
304	H	81.8	Confident	80.1	Confident	146 Å²	146	61.2 Å²	61.2	68%	0.676	33%	0.326	S	S	*	.			trans	-62.7	138.4	176	-82.6	-79.7	0	0	0	110.6	L306 E307 L308	H304-L306 PolarHBondContact O-N 3.39Å; H304-E307 WeakPolarHBondContact O-CB 3.42Å; H304-E307 PolarHBondContact O-N 2.99Å; H304-L308 PolarHBondContact O-N 3.15Å; H304-L308 VanDerWaalsContact O-N 3.09Å
305	I	78.9	Confident	79.7	Confident	120 Å²	120	60.5 Å²	60.5	62%	0.615	32%	0.322	S	S	*	.	H	α-helix	trans	-51.5	-33	178.7	-71.1	158.6	0	0	0	111.9	L299 R303 L308 L309	L299-I305 HydrophobicContact CD2-CG1 4.05Å; R303-I305 PolarHBondContact O-N 3.46Å; I305-L308 PolarHBondContact O-N 3.02Å; I305-L309 WeakPolarHBondContact O-CB 3.46Å; I305-L309 PolarHBondContact O-N 3.49Å
306	L	71.6	Confident	79.4	Confident	83 Å²	83	58.9 Å²	58.9	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-66.9	-43.7	179.1	-60.4	172.6	0	0	0	112.6	M85 H304 L308 L309 T310	M85-L306 HydrophobicContact CE-CD1 3.24Å; M85-L306 HydrophobicContact CE-CD2 3.86Å; M85-L306 HydrophobicContact CE-CG 4.12Å; M85-L306 HydrophobicContact SD-CB 4.3Å; M85-L306 HydrophobicContact SD-CD1 3.55Å; M85-L306 VanDerWaalsContact SD-CD1 3.55Å; M85-L306 HydrophobicContact SD-CD2 3.32Å; M85-L306 WeakPolarHBondContact SD-CD2 3.46Å; M85-L306 HydrophobicContact SD-CG 3.86Å; H304-L306 PolarHBondContact O-N 3.39Å; L306-L308 VanDerWaalsContact C-N 3.32Å; L306-L309 PolarHBondContact O-N 3.4Å; L306-T310 PolarHBondContact O-N 3.33Å; L306-T310 PolarHBondContact O-OG1 3.11Å
307	E	74.1	Confident	78.6	Confident	80 Å²	80	55 Å²	55	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-67.4	-38	176.7	-163.9	-172.6	163.5	0	0	110.6	R303 H304 L309 T310 I311	R303-E307 IonicContact CZ-OE1 3.84Å; R303-E307 IonicContact NH1-OE1 2.71Å; R303-E307 PolarHBondContact NH1-OE1 3.15Å; H304-E307 WeakPolarHBondContact O-CB 3.42Å; H304-E307 PolarHBondContact O-N 2.99Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 3.46Å; E307-T310 WeakPolarHBondContact CA-OG1 3.22Å; E307-T310 PolarHBondContact O-N 3.01Å; E307-T310 PolarHBondContact O-OG1 3.24Å; E307-I311 HydrophobicContact CG-CD1 4.26Å; E307-I311 WeakPolarHBondContact O-CB 3.41Å; E307-I311 WeakPolarHBondContact O-CD1 3.49Å; E307-I311 WeakPolarHBondContact O-CG1 3.38Å; E307-I311 PolarHBondContact O-N 3.11Å
308	L	79.5	Confident	78.1	Confident	4 Å²	4	52 Å²	52	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-36.8	173.7	-79	156.5	0	0	0	112.6	L299 R303 H304 I305 L306 G312	L299-L308 HydrophobicContact CB-CD1 4.49Å; L299-L308 HydrophobicContact CD2-CD1 3.72Å; L299-L308 HydrophobicContact CG-CD1 3.83Å; R303-L308 HydrophobicContact CB-CD1 4.1Å; R303-L308 HydrophobicContact CB-CG 4.18Å; H304-L308 PolarHBondContact O-N 3.15Å; H304-L308 VanDerWaalsContact O-N 3.09Å; I305-L308 PolarHBondContact O-N 3.02Å; L306-L308 VanDerWaalsContact C-N 3.32Å; L308-G312 PolarHBondContact O-N 2.96Å
309	L	74.2	Confident	77.8	Confident	65 Å²	65	52.2 Å²	52.2	34%	0.34	28%	0.281	S	S	.	.	H	α-helix	trans	-71	-41	178.2	-172.3	134.4	0	0	0	111.7	I81 I305 L306 E307 G312 V313	I81-L309 HydrophobicContact CB-CD2 4.39Å; I81-L309 HydrophobicContact CD1-CD1 3.97Å; I81-L309 HydrophobicContact CD1-CD2 3.7Å; I81-L309 HydrophobicContact CD1-CG 4.4Å; I81-L309 HydrophobicContact CG2-CD2 3.84Å; I305-L309 WeakPolarHBondContact O-CB 3.46Å; I305-L309 PolarHBondContact O-N 3.49Å; L306-L309 PolarHBondContact O-N 3.4Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 3.46Å; L309-G312 PolarHBondContact O-N 3.32Å; L309-V313 WeakPolarHBondContact O-CG2 3.45Å; L309-V313 PolarHBondContact O-N 3.47Å
310	T	72.6	Confident	77	Confident	60 Å²	60	50.8 Å²	50.8	37%	0.368	27%	0.273	S	S	.	.	H	α-helix	trans	-67.4	-38.7	175.2	53.9	0	0	0	0	112.2	L306 E307 S314	L306-T310 PolarHBondContact O-N 3.33Å; L306-T310 PolarHBondContact O-OG1 3.11Å; E307-T310 WeakPolarHBondContact CA-OG1 3.22Å; E307-T310 PolarHBondContact O-N 3.01Å; E307-T310 PolarHBondContact O-OG1 3.24Å; T310-S314 WeakPolarHBondContact O-CB 3.19Å; T310-S314 PolarHBondContact O-N 3.31Å; T310-S314 PolarHBondContact O-OG 3.13Å
311	I	75.4	Confident	76.2	Confident	14 Å²	14	43.3 Å²	43.3	7%	0.072	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-44.2	171.5	-68.8	166.7	0	0	0	110.3	I294 E307 V313 S314 L315 I814 T818	I294-I311 HydrophobicContact CG2-CG2 4.29Å; E307-I311 HydrophobicContact CG-CD1 4.26Å; E307-I311 WeakPolarHBondContact O-CB 3.41Å; E307-I311 WeakPolarHBondContact O-CD1 3.49Å; E307-I311 WeakPolarHBondContact O-CG1 3.38Å; E307-I311 PolarHBondContact O-N 3.11Å; I311-V313 PolarHBondContact O-N 3.14Å; I311-S314 PolarHBondContact O-N 3.31Å; I311-L315 HydrophobicContact CG2-CD1 3.76Å; I311-L315 HydrophobicContact CG2-CG 4.4Å; I311-L315 WeakPolarHBondContact O-CB 3.33Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 3.41Å; I311-I814 HydrophobicContact CG2-CG2 4.44Å; I311-T818 HydrophobicContact CD1-CG2 4.32Å
312	G	78.9	Confident	75.2	Confident	12 Å²	12	41.6 Å²	41.6	12%	0.124	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-45	178.1	0	0	0	0	0	113.1	L308 L309 A316	L308-G312 PolarHBondContact O-N 2.96Å; L309-G312 PolarHBondContact O-N 3.32Å; G312-A316 WeakPolarHBondContact O-CB 3.33Å; G312-A316 PolarHBondContact O-N 3.09Å
313	V	73.6	Confident	74.5	Confident	19 Å²	19	39.1 Å²	39.1	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-47.2	173.6	169.2	0	0	0	0	111	L74 L309 I311 L315 A316 V317	L74-V313 HydrophobicContact CD2-CB 4.43Å; L74-V313 HydrophobicContact CD2-CG1 3.96Å; L74-V313 HydrophobicContact CD2-CG2 4.4Å; L309-V313 WeakPolarHBondContact O-CG2 3.45Å; L309-V313 PolarHBondContact O-N 3.47Å; I311-V313 PolarHBondContact O-N 3.14Å; V313-L315 VanDerWaalsContact C-N 3.32Å; V313-L315 PolarHBondContact O-N 2.85Å; V313-A316 WeakPolarHBondContact O-CB 3.3Å; V313-A316 PolarHBondContact O-N 2.78Å; V313-A316 VanDerWaalsContact O-N 3.12Å; V313-V317 HydrophobicContact CG1-CG2 4.44Å; V313-V317 WeakPolarHBondContact O-CG2 3.26Å; V313-V317 PolarHBondContact O-N 3.18Å
314	S	73.6	Confident	74.3	Confident	20 Å²	20	37.8 Å²	37.8	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-40.7	-179.6	-57.7	0	0	0	0	112	T310 I311 A318	T310-S314 WeakPolarHBondContact O-CB 3.19Å; T310-S314 PolarHBondContact O-N 3.31Å; T310-S314 PolarHBondContact O-OG 3.13Å; I311-S314 PolarHBondContact O-N 3.31Å; S314-A318 WeakPolarHBondContact O-CB 3.36Å; S314-A318 PolarHBondContact O-N 3.01Å
315	L	79	Confident	73.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-39.6	173.6	-77.1	161.6	0	0	0	112.4	I291 I294 I311 V313 V317 A318 A319 L811 I814	I291-L315 HydrophobicContact CD1-CB 4.14Å; I291-L315 HydrophobicContact CG1-CB 3.67Å; I291-L315 HydrophobicContact CG1-CD1 4.33Å; I294-L315 HydrophobicContact CB-CD1 4.36Å; I294-L315 HydrophobicContact CD1-CD1 3.55Å; I294-L315 HydrophobicContact CD1-CD2 4.2Å; I294-L315 HydrophobicContact CG2-CD1 4.17Å; I311-L315 HydrophobicContact CG2-CD1 3.76Å; I311-L315 HydrophobicContact CG2-CG 4.4Å; I311-L315 WeakPolarHBondContact O-CB 3.33Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 3.41Å; V313-L315 VanDerWaalsContact C-N 3.32Å; V313-L315 PolarHBondContact O-N 2.85Å; L315-V317 VanDerWaalsContact C-N 3.35Å; L315-A318 PolarHBondContact O-N 3.09Å; L315-A319 VanDerWaalsContact O-CB 3.25Å; L315-A319 WeakPolarHBondContact O-CB 3.44Å; L315-A319 PolarHBondContact O-N 2.68Å; L315-L811 HydrophobicContact CD2-CD1 4.17Å; L315-L811 HydrophobicContact CD2-CG 3.98Å; L315-I814 HydrophobicContact CD1-CG2 4.46Å; L315-I814 HydrophobicContact CD2-CB 3.85Å; L315-I814 HydrophobicContact CD2-CD1 4.5Å; L315-I814 HydrophobicContact CD2-CG2 3.71Å; L315-I814 HydrophobicContact CG-CG2 3.86Å
316	A	75.8	Confident	73.5	Confident	12 Å²	12	31 Å²	31	10%	0.099	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-42.3	177.7	0	0	0	0	0	111.6	L74 I291 G312 V313 A319	L74-A316 HydrophobicContact CD1-CB 3.73Å; L74-A316 HydrophobicContact CD2-CB 3.79Å; L74-A316 HydrophobicContact CG-CB 4.45Å; I291-A316 HydrophobicContact CD1-CB 3.98Å; G312-A316 WeakPolarHBondContact O-CB 3.33Å; G312-A316 PolarHBondContact O-N 3.09Å; V313-A316 WeakPolarHBondContact O-CB 3.3Å; V313-A316 PolarHBondContact O-N 2.78Å; V313-A316 VanDerWaalsContact O-N 3.12Å; A316-A319 PolarHBondContact O-N 3.34Å
317	V	72.9	Confident	73.9	Confident	9 Å²	9	27 Å²	27	6%	0.055	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-41.7	174.9	175.9	0	0	0	0	111.1	M71 L74 L75 V313 L315 A319 N835	M71-V317 HydrophobicContact CE-CG1 4.28Å; M71-V317 HydrophobicContact SD-CG1 4.29Å; L74-V317 HydrophobicContact CD2-CG2 4.34Å; L75-V317 HydrophobicContact CD2-CG2 3.62Å; L75-V317 HydrophobicContact CG-CG2 4.23Å; V313-V317 HydrophobicContact CG1-CG2 4.44Å; V313-V317 WeakPolarHBondContact O-CG2 3.26Å; V313-V317 PolarHBondContact O-N 3.18Å; L315-V317 VanDerWaalsContact C-N 3.35Å; V317-A319 VanDerWaalsContact C-N 3.26Å; V317-A319 PolarHBondContact O-N 3.47Å; V317-N835 PolarHBondContact O-ND2 3.34Å
318	A	76.8	Confident	74.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.9	-30.4	176.2	0	0	0	0	0	112.9	S314 L315 A810 I814 I831	S314-A318 WeakPolarHBondContact O-CB 3.36Å; S314-A318 PolarHBondContact O-N 3.01Å; L315-A318 PolarHBondContact O-N 3.09Å; A318-A810 HydrophobicContact CB-CB 4.3Å; A318-I814 HydrophobicContact CB-CD1 4.28Å; A318-I831 HydrophobicContact CB-CG2 3.91Å
319	A	76	Confident	74.1	Confident	6 Å²	6	26.1 Å²	26.1	5%	0.05	16%	0.158	C	C	.	.	H	α-helix	trans	-75	-34.1	-173.2	0	0	0	0	0	114.1	L283 S287 L315 A316 V317 P321 L811	L283-A319 WeakPolarHBondContact CD2-O 3.03Å; S287-A319 VanDerWaalsContact CB-CB 3.41Å; L315-A319 VanDerWaalsContact O-CB 3.25Å; L315-A319 WeakPolarHBondContact O-CB 3.44Å; L315-A319 PolarHBondContact O-N 2.68Å; A316-A319 PolarHBondContact O-N 3.34Å; V317-A319 VanDerWaalsContact C-N 3.26Å; V317-A319 PolarHBondContact O-N 3.47Å; A319-P321 WeakPolarHBondContact O-CD 3.39Å; A319-L811 HydrophobicContact CB-CD1 3.61Å
320	I	70.4	Confident	74.4	Confident	62 Å²	62	24.5 Å²	24.5	32%	0.318	15%	0.151	S	C	.	.	S	Bend	trans	-99.7	115.8	-169.5	-58	175.2	0	0	0	109.4	E322	I320-E322 VanDerWaalsContact C-N 3.32Å; I320-E322 PolarHBondContact O-N 2.91Å
321	P	68.8	Low	74.9	Confident	20 Å²	20	21.7 Å²	21.7	13%	0.13	13%	0.133	C	C	.	.			trans	-76.2	85.3	176.6	30.1	-33.8	0	0	0	110	L283 A319 G323 L324	L283-P321 VanDerWaalsContact CD2-CD 3.44Å; L283-P321 HydrophobicContact CD2-CG 4.32Å; A319-P321 WeakPolarHBondContact O-CD 3.39Å; P321-G323 PolarHBondContact O-N 2.77Å; P321-L324 HydrophobicContact CB-CB 4.27Å; P321-L324 HydrophobicContact CB-CD1 4.48Å; P321-L324 HydrophobicContact CG-CB 4.34Å; P321-L324 HydrophobicContact CG-CD1 3.99Å; P321-L324 WeakPolarHBondContact O-CB 3.39Å; P321-L324 PolarHBondContact O-N 3.48Å
322	E	65.9	Low	75.2	Confident	35 Å²	35	21.4 Å²	21.4	16%	0.164	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.5	179.8	-68	-151.5	129.6	0	0	113.7	M71 I320 L324 P325	M71-E322 WeakPolarHBondContact CB-OE1 3.27Å; M71-E322 HydrophobicContact CE-CG 3.84Å; M71-E322 WeakPolarHBondContact CE-OE1 3.49Å; M71-E322 WeakPolarHBondContact CE-OE2 3.49Å; M71-E322 HydrophobicContact SD-CG 3.3Å; M71-E322 WeakPolarHBondContact SD-CG 3.29Å; I320-E322 VanDerWaalsContact C-N 3.32Å; I320-E322 PolarHBondContact O-N 2.91Å; E322-L324 PolarHBondContact O-N 3.46Å; E322-L324 VanDerWaalsContact O-N 3.14Å; E322-P325 VanDerWaalsContact O-CD 3.32Å; E322-P325 WeakPolarHBondContact O-CD 3.34Å
323	G	66.5	Low	75.3	Confident	12 Å²	12	21.5 Å²	21.5	12%	0.124	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-15.1	177.7	0	0	0	0	0	113.1	P321 I326 V327	P321-G323 PolarHBondContact O-N 2.77Å; G323-I326 PolarHBondContact O-N 3.15Å; G323-V327 WeakPolarHBondContact O-CB 3.05Å; G323-V327 WeakPolarHBondContact O-CG2 3.33Å; G323-V327 PolarHBondContact O-N 3.34Å
324	L	74.8	Confident	75.7	Confident	15 Å²	15	22.9 Å²	22.9	8%	0.079	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-52.9	-168.5	-163.7	156.5	0	0	0	112.9	M276 L279 P321 E322 I326 V327 V328 F799 I800	M276-L324 HydrophobicContact CE-CD2 4.45Å; M276-L324 HydrophobicContact SD-CD2 3.43Å; M276-L324 WeakPolarHBondContact SD-CD2 3Å; L279-L324 HydrophobicContact CD2-CD1 4Å; P321-L324 HydrophobicContact CB-CB 4.27Å; P321-L324 HydrophobicContact CB-CD1 4.48Å; P321-L324 HydrophobicContact CG-CB 4.34Å; P321-L324 HydrophobicContact CG-CD1 3.99Å; P321-L324 WeakPolarHBondContact O-CB 3.39Å; P321-L324 PolarHBondContact O-N 3.48Å; E322-L324 PolarHBondContact O-N 3.46Å; E322-L324 VanDerWaalsContact O-N 3.14Å; L324-I326 VanDerWaalsContact C-N 3.26Å; L324-I326 PolarHBondContact O-N 3.46Å; L324-V327 PolarHBondContact O-N 3.05Å; L324-V328 HydrophobicContact CD2-CG2 3.8Å; L324-V328 VanDerWaalsContact O-CG2 3.26Å; L324-V328 WeakPolarHBondContact O-CG2 3.49Å; L324-V328 PolarHBondContact O-N 3.44Å; L324-F799 HydrophobicContact CG-CE2 4.3Å; L324-I800 HydrophobicContact CD1-CD1 4.41Å; L324-I800 HydrophobicContact CD1-CG1 4.05Å; L324-I800 HydrophobicContact CG-CG1 4.35Å
325	P	71.4	Confident	76.1	Confident	80 Å²	80	22 Å²	22	52%	0.519	13%	0.132	S	C	.	.	H	α-helix	trans	-59.4	-37.1	178.5	-23.7	35.5	0	0	0	113.1	E322 T329	E322-P325 VanDerWaalsContact O-CD 3.32Å; E322-P325 WeakPolarHBondContact O-CD 3.34Å; P325-T329 WeakPolarHBondContact O-CB 3.17Å; P325-T329 PolarHBondContact O-N 3.33Å; P325-T329 PolarHBondContact O-OG1 3.26Å
326	I	72.3	Confident	76.2	Confident	42 Å²	42	22.4 Å²	22.4	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-51.8	178.1	-63	165.9	0	0	0	109.8	A105 Q108 G323 L324 V328 T329 V330	A105-I326 HydrophobicContact CB-CD1 4.48Å; Q108-I326 HydrophobicContact CB-CG2 4.25Å; Q108-I326 HydrophobicContact CG-CG2 4.47Å; G323-I326 PolarHBondContact O-N 3.15Å; L324-I326 VanDerWaalsContact C-N 3.26Å; L324-I326 PolarHBondContact O-N 3.46Å; I326-V328 VanDerWaalsContact C-N 3.32Å; I326-V328 PolarHBondContact O-N 2.92Å; I326-T329 PolarHBondContact O-N 3.3Å; I326-T329 VanDerWaalsContact O-N 3.14Å; I326-V330 HydrophobicContact CG2-CG2 4.46Å; I326-V330 WeakPolarHBondContact O-CG2 3.04Å; I326-V330 PolarHBondContact O-N 3.09Å
327	V	79.3	Confident	76.6	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-42.7	-179.1	175.7	0	0	0	0	110.5	G323 L324 T329 T331 F799 A843 Q844	G323-V327 WeakPolarHBondContact O-CB 3.05Å; G323-V327 WeakPolarHBondContact O-CG2 3.33Å; G323-V327 PolarHBondContact O-N 3.34Å; L324-V327 PolarHBondContact O-N 3.05Å; V327-T329 PolarHBondContact O-N 2.75Å; V327-T331 WeakPolarHBondContact O-CB 3.35Å; V327-T331 PolarHBondContact O-N 2.91Å; V327-T331 PolarHBondContact O-OG1 3.28Å; V327-F799 HydrophobicContact CB-CD2 4.26Å; V327-F799 HydrophobicContact CB-CE2 3.91Å; V327-F799 HydrophobicContact CB-CZ 4.2Å; V327-F799 HydrophobicContact CG1-CD1 3.85Å; V327-F799 HydrophobicContact CG1-CD2 3.49Å; V327-F799 VanDerWaalsContact CG1-CD2 3.49Å; V327-F799 HydrophobicContact CG1-CE1 3.78Å; V327-F799 HydrophobicContact CG1-CE2 3.47Å; V327-F799 VanDerWaalsContact CG1-CE2 3.47Å; V327-F799 HydrophobicContact CG1-CG 3.73Å; V327-F799 HydrophobicContact CG1-CZ 3.64Å; V327-A843 HydrophobicContact CG1-CB 4.16Å; V327-A843 HydrophobicContact CG2-CB 4.01Å; V327-Q844 HydrophobicContact CB-CG 4.29Å; V327-Q844 HydrophobicContact CG1-CG 4.27Å; V327-Q844 HydrophobicContact CG2-CG 3.71Å
328	V	81.3	Confident	77.1	Confident	13 Å²	13	29.7 Å²	29.7	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-50.4	173.8	173.2	0	0	0	0	110.2	L272 M276 L324 I326 V330 T331 L332 F799	L272-V328 HydrophobicContact CD2-CG1 4.14Å; M276-V328 HydrophobicContact SD-CG2 4.2Å; L324-V328 HydrophobicContact CD2-CG2 3.8Å; L324-V328 VanDerWaalsContact O-CG2 3.26Å; L324-V328 WeakPolarHBondContact O-CG2 3.49Å; L324-V328 PolarHBondContact O-N 3.44Å; I326-V328 VanDerWaalsContact C-N 3.32Å; I326-V328 PolarHBondContact O-N 2.92Å; V328-V330 PolarHBondContact O-N 2.86Å; V328-T331 PolarHBondContact O-N 3.14Å; V328-L332 HydrophobicContact CG1-CD1 3.77Å; V328-L332 HydrophobicContact CG1-CG 4.25Å; V328-L332 WeakPolarHBondContact O-CB 3.33Å; V328-L332 VanDerWaalsContact O-CG 3.31Å; V328-L332 WeakPolarHBondContact O-CG 3.37Å; V328-L332 PolarHBondContact O-N 3.4Å; V328-F799 HydrophobicContact CB-CZ 4.48Å; V328-F799 HydrophobicContact CG2-CE2 4.39Å; V328-F799 HydrophobicContact CG2-CZ 3.61Å
329	T	77.6	Confident	77.5	Confident	51 Å²	51	29.7 Å²	29.7	31%	0.313	16%	0.164	S	C	.	.	H	α-helix	trans	-62.8	-45.2	-176.4	-58.2	0	0	0	0	111.9	P325 I326 V327 L332 A333 L349	P325-T329 WeakPolarHBondContact O-CB 3.17Å; P325-T329 PolarHBondContact O-N 3.33Å; P325-T329 PolarHBondContact O-OG1 3.26Å; I326-T329 PolarHBondContact O-N 3.3Å; I326-T329 VanDerWaalsContact O-N 3.14Å; V327-T329 PolarHBondContact O-N 2.75Å; T329-L332 PolarHBondContact O-N 3.42Å; T329-A333 WeakPolarHBondContact O-CB 3.31Å; T329-A333 PolarHBondContact O-N 2.91Å; T329-L349 HydrophobicContact CG2-CD1 4.31Å
330	V	79	Confident	77.9	Confident	32 Å²	32	30.7 Å²	30.7	19%	0.194	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-43.2	176.8	172.8	0	0	0	0	110.9	I326 V328 A333 I334	I326-V330 HydrophobicContact CG2-CG2 4.46Å; I326-V330 WeakPolarHBondContact O-CG2 3.04Å; I326-V330 PolarHBondContact O-N 3.09Å; V328-V330 PolarHBondContact O-N 2.86Å; V330-A333 PolarHBondContact O-N 3.49Å; V330-I334 HydrophobicContact CG1-CD1 3.81Å; V330-I334 VanDerWaalsContact O-CG1 3.31Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 2.68Å
331	T	83.1	Confident	78.7	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-47.6	177.7	-61.3	0	0	0	0	111.3	V327 V328 A333 I334 G335 L792 I796 G847	V327-T331 WeakPolarHBondContact O-CB 3.35Å; V327-T331 PolarHBondContact O-N 2.91Å; V327-T331 PolarHBondContact O-OG1 3.28Å; V328-T331 PolarHBondContact O-N 3.14Å; T331-A333 PolarHBondContact O-N 2.92Å; T331-I334 PolarHBondContact O-N 3.31Å; T331-G335 PolarHBondContact O-N 2.91Å; T331-L792 HydrophobicContact CG2-CD2 3.67Å; T331-L792 WeakPolarHBondContact O-CD2 3.42Å; T331-I796 HydrophobicContact CG2-CG1 4.39Å; T331-G847 VanDerWaalsContact CG2-O 3.31Å; T331-G847 WeakPolarHBondContact CG2-O 2.95Å; T331-G847 WeakPolarHBondContact OG1-CA 3.12Å
332	L	83.3	Confident	79.6	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-41.8	176	-69.6	173.6	0	0	0	111.8	L272 V328 T329 I334 G335 Q336 L349 I796	L272-L332 HydrophobicContact CD2-CD1 4Å; L272-L332 HydrophobicContact CD2-CD2 4.24Å; V328-L332 HydrophobicContact CG1-CD1 3.77Å; V328-L332 HydrophobicContact CG1-CG 4.25Å; V328-L332 WeakPolarHBondContact O-CB 3.33Å; V328-L332 VanDerWaalsContact O-CG 3.31Å; V328-L332 WeakPolarHBondContact O-CG 3.37Å; V328-L332 PolarHBondContact O-N 3.4Å; T329-L332 PolarHBondContact O-N 3.42Å; L332-I334 VanDerWaalsContact C-N 3.35Å; L332-I334 PolarHBondContact O-N 3Å; L332-G335 PolarHBondContact O-N 3.3Å; L332-Q336 PolarHBondContact O-N 2.95Å; L332-L349 HydrophobicContact CB-CB 4.4Å; L332-L349 HydrophobicContact CB-CD2 4.09Å; L332-L349 HydrophobicContact CD1-CB 4.49Å; L332-I796 HydrophobicContact CD2-CD1 4.46Å
333	A	80.8	Confident	80.7	Confident	14 Å²	14	37.4 Å²	37.4	12%	0.116	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-41	178.5	0	0	0	0	0	112	T329 V330 T331 Q336 M337 L349	T329-A333 WeakPolarHBondContact O-CB 3.31Å; T329-A333 PolarHBondContact O-N 2.91Å; V330-A333 PolarHBondContact O-N 3.49Å; T331-A333 PolarHBondContact O-N 2.92Å; A333-Q336 WeakPolarHBondContact O-CB 3.22Å; A333-Q336 PolarHBondContact O-N 3.49Å; A333-M337 WeakPolarHBondContact O-CG 3.38Å; A333-M337 PolarHBondContact O-N 3.07Å; A333-L349 HydrophobicContact CB-CD2 4.35Å
334	I	80.9	Confident	81.8	Confident	48 Å²	48	36.9 Å²	36.9	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-69.1	-38.7	176.4	-62	166	0	0	0	110.8	V330 T331 L332 Q336 M337 R338 V848	V330-I334 HydrophobicContact CG1-CD1 3.81Å; V330-I334 VanDerWaalsContact O-CG1 3.31Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 2.68Å; T331-I334 PolarHBondContact O-N 3.31Å; L332-I334 VanDerWaalsContact C-N 3.35Å; L332-I334 PolarHBondContact O-N 3Å; I334-Q336 VanDerWaalsContact C-N 3.33Å; I334-Q336 PolarHBondContact O-N 3.47Å; I334-M337 WeakPolarHBondContact O-CB 3.37Å; I334-M337 PolarHBondContact O-N 2.97Å; I334-R338 PolarHBondContact O-N 3.01Å; I334-V848 HydrophobicContact CB-CG1 3.86Å; I334-V848 HydrophobicContact CD1-CG1 3.37Å; I334-V848 HydrophobicContact CG1-CG1 4.17Å; I334-V848 HydrophobicContact CG2-CG1 3.43Å; I334-V848 VanDerWaalsContact CG2-CG1 3.43Å
335	G	81.7	Confident	82.3	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-56.3	-46.7	170.5	0	0	0	0	0	112.4	T331 L332 M337 R338 M339	T331-G335 PolarHBondContact O-N 2.91Å; L332-G335 PolarHBondContact O-N 3.3Å; G335-M337 VanDerWaalsContact C-N 3.33Å; G335-M337 PolarHBondContact O-N 3.39Å; G335-R338 PolarHBondContact O-N 2.92Å; G335-M339 WeakPolarHBondContact O-CE 3.46Å; G335-M339 PolarHBondContact O-N 3.49Å
336	Q	82.5	Confident	82.8	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-42.2	174.3	171.2	178.3	-4.7	0	0	112.1	L332 A333 I334 R338 M339 A340 V346 L349	L332-Q336 PolarHBondContact O-N 2.95Å; A333-Q336 WeakPolarHBondContact O-CB 3.22Å; A333-Q336 PolarHBondContact O-N 3.49Å; I334-Q336 VanDerWaalsContact C-N 3.33Å; I334-Q336 PolarHBondContact O-N 3.47Å; Q336-R338 VanDerWaalsContact C-N 3.31Å; Q336-R338 PolarHBondContact O-N 3.17Å; Q336-M339 PolarHBondContact O-N 3.36Å; Q336-A340 WeakPolarHBondContact O-CB 3.35Å; Q336-A340 PolarHBondContact O-N 3.41Å; Q336-V346 HydrophobicContact CB-CB 4.38Å; Q336-V346 HydrophobicContact CB-CG2 4.41Å; Q336-V346 HydrophobicContact CG-CB 3.9Å; Q336-V346 HydrophobicContact CG-CG2 4.23Å; Q336-V346 PolarHBondContact NE2-O 3.29Å; Q336-L349 HydrophobicContact CB-CD2 4.23Å
337	M	82.5	Confident	83	Confident	100 Å²	100	34.8 Å²	34.8	49%	0.493	19%	0.187	S	C	.	.	H	α-helix	trans	-61	-40.5	176.5	-69.9	-176.9	-177.8	0	0	112.1	V115 A333 I334 G335 A340 A341	V115-M337 HydrophobicContact CG1-CE 3.42Å; V115-M337 VanDerWaalsContact CG1-CE 3.42Å; V115-M337 HydrophobicContact CG2-CE 4.45Å; A333-M337 WeakPolarHBondContact O-CG 3.38Å; A333-M337 PolarHBondContact O-N 3.07Å; I334-M337 WeakPolarHBondContact O-CB 3.37Å; I334-M337 PolarHBondContact O-N 2.97Å; G335-M337 VanDerWaalsContact C-N 3.33Å; G335-M337 PolarHBondContact O-N 3.39Å; M337-A340 PolarHBondContact O-N 2.76Å; M337-A341 PolarHBondContact O-N 2.95Å
338	R	84.4	Confident	82.6	Confident	74 Å²	74	38.9 Å²	38.9	28%	0.279	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-40	175.9	-69.2	179.7	-179.9	173.6	1.2	112	I334 G335 Q336 A341 R342 V848 E849	I334-R338 PolarHBondContact O-N 3.01Å; G335-R338 PolarHBondContact O-N 2.92Å; Q336-R338 VanDerWaalsContact C-N 3.31Å; Q336-R338 PolarHBondContact O-N 3.17Å; R338-A341 PolarHBondContact O-N 3.04Å; R338-R342 PolarHBondContact O-N 3.44Å; R338-V848 PolarHBondContact NH2-O 2.52Å; R338-E849 PolarHBondContact NH1-O 3.11Å
339	M	86.3	Confident	82.1	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-43.3	173	-98	165.7	-80.6	0	0	112.5	G335 Q336 A341 R342 N343 A344 V346 V352 A785 E788 L792	G335-M339 WeakPolarHBondContact O-CE 3.46Å; G335-M339 PolarHBondContact O-N 3.49Å; Q336-M339 PolarHBondContact O-N 3.36Å; M339-A341 VanDerWaalsContact C-N 3.28Å; M339-A341 PolarHBondContact O-N 3.26Å; M339-R342 CarbonylContact O-C 3.55Å; M339-R342 VanDerWaalsContact O-CA 3.31Å; M339-R342 WeakPolarHBondContact O-CA 3.33Å; M339-R342 PolarHBondContact O-N 3.37Å; M339-N343 PolarHBondContact O-N 2.66Å; M339-A344 CarbonylContact C-O 3.48Å; M339-A344 HydrophobicContact CB-CB 4.19Å; M339-A344 HydrophobicContact CG-CB 4.38Å; M339-A344 PolarHBondContact O-N 2.9Å; M339-V346 HydrophobicContact CB-CG2 4.41Å; M339-V346 HydrophobicContact SD-CG2 3.95Å; M339-V352 HydrophobicContact CE-CB 4.29Å; M339-V352 HydrophobicContact CE-CG1 3.06Å; M339-V352 HydrophobicContact CE-CG2 4.28Å; M339-V352 HydrophobicContact SD-CG1 3.79Å; M339-A785 HydrophobicContact CG-CB 4.06Å; M339-A785 HydrophobicContact SD-CB 3.97Å; M339-E788 HydrophobicContact CE-CB 3.51Å; M339-E788 HydrophobicContact CE-CG 4.35Å; M339-E788 HydrophobicContact CG-CB 4.1Å; M339-E788 HydrophobicContact CG-CG 4.21Å; M339-E788 HydrophobicContact SD-CB 4.17Å; M339-L792 HydrophobicContact CE-CD1 4.07Å
340	A	84.2	Confident	81.9	Confident	27 Å²	27	38.5 Å²	38.5	22%	0.223	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-37.6	177.9	0	0	0	0	0	111.3	Q336 M337 R342 N343 A344	Q336-A340 WeakPolarHBondContact O-CB 3.35Å; Q336-A340 PolarHBondContact O-N 3.41Å; M337-A340 PolarHBondContact O-N 2.76Å; A340-R342 PolarHBondContact O-N 3.37Å; A340-N343 PolarHBondContact O-N 2.86Å; A340-A344 VanDerWaalsContact CA-O 3.26Å; A340-A344 WeakPolarHBondContact CA-O 3.37Å; A340-A344 PolarHBondContact N-O 3Å
341	A	86.8	Confident	81.9	Confident	85 Å²	85	37.2 Å²	37.2	70%	0.702	19%	0.192	S	C	*	.	H	α-helix	trans	-63.7	-20.9	172.2	0	0	0	0	0	113.4	M337 R338 M339	M337-A341 PolarHBondContact O-N 2.95Å; R338-A341 PolarHBondContact O-N 3.04Å; M339-A341 VanDerWaalsContact C-N 3.28Å; M339-A341 PolarHBondContact O-N 3.26Å
342	R	88	Confident	81.7	Confident	103 Å²	103	37.1 Å²	37.1	39%	0.389	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	28.9	171.6	-60.5	-172.6	-176.1	-172	3.4	112.2	R338 M339 A340 A344 T781 E787	R338-R342 PolarHBondContact O-N 3.44Å; M339-R342 CarbonylContact O-C 3.55Å; M339-R342 VanDerWaalsContact O-CA 3.31Å; M339-R342 WeakPolarHBondContact O-CA 3.33Å; M339-R342 PolarHBondContact O-N 3.37Å; A340-R342 PolarHBondContact O-N 3.37Å; R342-A344 PolarHBondContact O-N 3.14Å; R342-T781 WeakPolarHBondContact O-CG2 3.35Å; R342-E787 IonicContact CZ-OE2 2.78Å; R342-E787 IonicContact NH1-OE2 2.72Å; R342-E787 PolarHBondContact NH1-OE2 2.83Å; R342-E787 IonicContact NH2-OE2 2.69Å
343	N	88.6	Confident	81.8	Confident	70 Å²	70	36.8 Å²	36.8	37%	0.374	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	13.9	177.4	-56.2	-39.4	0	0	0	116.3	M339 A340 L775 D776	M339-N343 PolarHBondContact O-N 2.66Å; A340-N343 PolarHBondContact O-N 2.86Å; N343-L775 HydrophobicContact CB-CB 4.2Å; N343-L775 PolarHBondContact O-N 3.47Å; N343-D776 HydrophobicContact CB-CB 4.12Å; N343-D776 PolarHBondContact ND2-OD2 2.89Å
344	A	88.8	Confident	82.1	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	107	173.1	0	0	0	0	0	110.8	M339 A340 R342 I772 L774 T781 A785	M339-A344 CarbonylContact C-O 3.48Å; M339-A344 HydrophobicContact CB-CB 4.19Å; M339-A344 HydrophobicContact CG-CB 4.38Å; M339-A344 PolarHBondContact O-N 2.9Å; A340-A344 VanDerWaalsContact CA-O 3.26Å; A340-A344 WeakPolarHBondContact CA-O 3.37Å; A340-A344 PolarHBondContact N-O 3Å; R342-A344 PolarHBondContact O-N 3.14Å; A344-I772 HydrophobicContact CB-CG2 4.32Å; A344-L774 HydrophobicContact CB-CD2 4.28Å; A344-T781 HydrophobicContact CB-CG2 3.85Å; A344-A785 HydrophobicContact CB-CB 4.33Å
345	I	85.2	Confident	82.4	Confident	34 Å²	34	34 Å²	34	17%	0.174	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.1	173.6	-63.5	-171.7	0	0	0	109.4	I772 V773 L775	I345-I772 CarbonylContact O-C 3.54Å; I345-I772 VanDerWaalsContact O-CA 3.3Å; I345-I772 WeakPolarHBondContact O-CA 3.32Å; I345-V773 PolarHBondContact N-O 2.82Å; I345-V773 PolarHBondContact O-N 2.82Å; I345-L775 HydrophobicContact CD1-CD1 3.81Å; I345-L775 HydrophobicContact CD1-CD2 3.78Å; I345-L775 HydrophobicContact CD1-CG 4.07Å; I345-L775 HydrophobicContact CG1-CD1 3.84Å; I345-L775 HydrophobicContact CG1-CD2 4.17Å; I345-L775 HydrophobicContact CG1-CG 3.99Å
346	V	81.8	Confident	82.6	Confident	2 Å²	2	34 Å²	34	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.1	172.1	-175.8	0	0	0	0	108.8	Q336 M339 R348 V352 D771 I772	Q336-V346 HydrophobicContact CB-CB 4.38Å; Q336-V346 HydrophobicContact CB-CG2 4.41Å; Q336-V346 HydrophobicContact CG-CB 3.9Å; Q336-V346 HydrophobicContact CG-CG2 4.23Å; Q336-V346 PolarHBondContact NE2-O 3.29Å; M339-V346 HydrophobicContact CB-CG2 4.41Å; M339-V346 HydrophobicContact SD-CG2 3.95Å; V346-R348 WeakPolarHBondContact CG1-O 3.26Å; V346-V352 HydrophobicContact CB-CG2 3.95Å; V346-V352 HydrophobicContact CG1-CG2 3.35Å; V346-V352 HydrophobicContact CG2-CG2 3.58Å; V346-D771 CarbonylContact C-O 3.58Å; V346-I772 HydrophobicContact CG1-CG1 4.5Å; V346-I772 HydrophobicContact CG2-CG1 4.32Å
347	R	76.6	Confident	82.9	Confident	57 Å²	57	33.7 Å²	33.7	22%	0.215	17%	0.173	C	C	.	.	S	Bend	trans	-93.3	-28.4	176.5	-61.5	-173.6	66.1	-123.1	-3.9	112.6	R767 E768 A770 D771 V773	R347-R767 WeakPolarHBondContact CD-O 3.35Å; R347-R767 PolarHBondContact NH1-O 2.9Å; R347-E768 IonicContact CZ-OE1 2.6Å; R347-E768 IonicContact CZ-OE2 2.66Å; R347-E768 PolarHBondContact NH1-O 3.34Å; R347-E768 IonicContact NH1-OE1 3.25Å; R347-E768 IonicContact NH1-OE2 3Å; R347-E768 IonicContact NH2-OE1 2.62Å; R347-E768 PolarHBondContact NH2-OE1 2.98Å; R347-E768 IonicContact NH2-OE2 2.76Å; R347-E768 PolarHBondContact NH2-OE2 3.22Å; R347-A770 PolarHBondContact NH1-O 3.01Å; R347-D771 PolarHBondContact N-O 2.83Å; R347-V773 HydrophobicContact CG-CG2 4.4Å
348	R	72	Confident	83.3	Confident	87 Å²	87	28.9 Å²	28.9	33%	0.328	15%	0.149	S	C	.	.	S	Bend	trans	-120.7	112.7	174.5	-64.2	-164.1	-176.3	142.6	-21.8	112	V346 A351 D771	V346-R348 WeakPolarHBondContact CG1-O 3.26Å; R348-A351 HydrophobicContact CB-CB 4.14Å; R348-A351 WeakPolarHBondContact O-CB 3.39Å; R348-A351 PolarHBondContact O-N 2.87Å; R348-D771 VanDerWaalsContact CD-OD1 3.23Å; R348-D771 WeakPolarHBondContact CD-OD1 3.31Å; R348-D771 IonicContact CZ-OD1 2.62Å; R348-D771 IonicContact NE-OD1 3.75Å; R348-D771 IonicContact NH1-OD1 3.44Å; R348-D771 PolarHBondContact NH1-OD1 2.86Å
349	L	70.4	Confident	83.7	Confident	23 Å²	23	26.8 Å²	26.8	12%	0.12	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-45.6	-177.5	-77.6	173.9	0	0	0	114.8	L116 T329 L332 A333 Q336 A351 V352	L116-L349 HydrophobicContact CD1-CD1 3.73Å; L116-L349 HydrophobicContact CD1-CG 4.26Å; L116-L349 HydrophobicContact CD2-CD1 4.27Å; L116-L349 HydrophobicContact CD2-CD2 4.18Å; L116-L349 HydrophobicContact CD2-CG 4.01Å; T329-L349 HydrophobicContact CG2-CD1 4.31Å; L332-L349 HydrophobicContact CB-CB 4.4Å; L332-L349 HydrophobicContact CB-CD2 4.09Å; L332-L349 HydrophobicContact CD1-CB 4.49Å; A333-L349 HydrophobicContact CB-CD2 4.35Å; Q336-L349 HydrophobicContact CB-CD2 4.23Å; L349-A351 PolarHBondContact O-N 2.88Å; L349-V352 WeakPolarHBondContact O-CG2 3.32Å; L349-V352 PolarHBondContact O-N 2.96Å
350	P	74.2	Confident	84.1	Confident	33 Å²	33	26.9 Å²	26.9	21%	0.214	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.3	-179.1	-20.6	35.3	0	0	0	113.5	T270 Q273 V352	T270-P350 HydrophobicContact CG2-CB 3.76Å; T270-P350 WeakPolarHBondContact OG1-CB 3.43Å; Q273-P350 HydrophobicContact CG-CB 4.34Å; P350-V352 VanDerWaalsContact C-N 3.26Å; P350-V352 PolarHBondContact O-N 3.25Å
351	A	78.4	Confident	84.7	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-69	-27.2	-178.8	0	0	0	0	0	112.2	R348 L349 E353 T354 L355 I754 D771	R348-A351 HydrophobicContact CB-CB 4.14Å; R348-A351 WeakPolarHBondContact O-CB 3.39Å; R348-A351 PolarHBondContact O-N 2.87Å; L349-A351 PolarHBondContact O-N 2.88Å; A351-E353 VanDerWaalsContact C-N 3.27Å; A351-E353 PolarHBondContact O-N 3.34Å; A351-T354 VanDerWaalsContact O-CB 3.31Å; A351-T354 WeakPolarHBondContact O-CB 3.49Å; A351-T354 PolarHBondContact O-N 2.69Å; A351-T354 VanDerWaalsContact O-N 3.09Å; A351-L355 PolarHBondContact O-N 3.44Å; A351-I754 HydrophobicContact CB-CD1 4.3Å; A351-I754 HydrophobicContact CB-CG1 4.39Å; A351-I754 VanDerWaalsContact O-CD1 3.23Å; A351-I754 WeakPolarHBondContact O-CD1 3.26Å; A351-D771 HydrophobicContact CB-CB 3.65Å
352	V	79.4	Confident	85.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-54.4	-44.3	179	-177.5	0	0	0	0	112.6	M339 V346 L349 P350 T354 L355 G789 L792	M339-V352 HydrophobicContact CE-CB 4.29Å; M339-V352 HydrophobicContact CE-CG1 3.06Å; M339-V352 HydrophobicContact CE-CG2 4.28Å; M339-V352 HydrophobicContact SD-CG1 3.79Å; V346-V352 HydrophobicContact CB-CG2 3.95Å; V346-V352 HydrophobicContact CG1-CG2 3.35Å; V346-V352 HydrophobicContact CG2-CG2 3.58Å; L349-V352 WeakPolarHBondContact O-CG2 3.32Å; L349-V352 PolarHBondContact O-N 2.96Å; P350-V352 VanDerWaalsContact C-N 3.26Å; P350-V352 PolarHBondContact O-N 3.25Å; V352-T354 VanDerWaalsContact C-N 3.35Å; V352-L355 WeakPolarHBondContact O-CB 3.49Å; V352-L355 PolarHBondContact O-N 3.2Å; V352-G789 WeakPolarHBondContact O-CA 3.28Å; V352-L792 HydrophobicContact CB-CD1 4.23Å; V352-L792 HydrophobicContact CG1-CD1 3.17Å
353	E	84.6	Confident	85.4	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69	-38.3	-178.9	-172.8	-78.4	143.8	0	0	111.2	L272 A351 L355 G356 C357 F793 R861	L272-E353 HydrophobicContact CB-CB 4.23Å; L272-E353 HydrophobicContact CB-CG 3.94Å; L272-E353 WeakPolarHBondContact CB-OE2 3.44Å; L272-E353 HydrophobicContact CD2-CB 4.18Å; L272-E353 HydrophobicContact CD2-CG 4.24Å; L272-E353 HydrophobicContact CG-CG 4.47Å; L272-E353 PolarHBondContact N-OE2 3.21Å; L272-E353 VanDerWaalsContact N-OE2 3.11Å; A351-E353 VanDerWaalsContact C-N 3.27Å; A351-E353 PolarHBondContact O-N 3.34Å; E353-L355 PolarHBondContact O-N 2.75Å; E353-G356 PolarHBondContact O-N 2.64Å; E353-C357 PolarHBondContact OE1-SG 3.49Å; E353-F793 HydrophobicContact CG-CB 4.39Å; E353-F793 HydrophobicContact CG-CD2 4.18Å; E353-F793 VanDerWaalsContact OE1-CD2 3.24Å; E353-F793 WeakPolarHBondContact OE1-CD2 3.37Å; E353-R861 IonicContact OE1-CZ 3.02Å; E353-R861 VanDerWaalsContact OE1-CZ 3.22Å; E353-R861 IonicContact OE1-NE 2.76Å; E353-R861 PolarHBondContact OE1-NE 3.03Å; E353-R861 IonicContact OE1-NH2 3.38Å; E353-R861 PolarHBondContact OE1-NH2 3.47Å; E353-R861 IonicContact OE2-NH2 2.66Å; E353-R861 PolarHBondContact OE2-NH2 2.9Å
354	T	87.3	Confident	85.5	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.9	-35.7	178.4	-50	0	0	0	0	111.3	T270 P271 A351 V352 G356 C357 V358 V735 D753	T270-T354 WeakPolarHBondContact CB-OG1 3.48Å; P271-T354 WeakPolarHBondContact CD-OG1 3.35Å; P271-T354 HydrophobicContact CG-CG2 4.33Å; A351-T354 VanDerWaalsContact O-CB 3.31Å; A351-T354 WeakPolarHBondContact O-CB 3.49Å; A351-T354 PolarHBondContact O-N 2.69Å; A351-T354 VanDerWaalsContact O-N 3.09Å; V352-T354 VanDerWaalsContact C-N 3.35Å; T354-G356 PolarHBondContact O-N 3.13Å; T354-C357 WeakPolarHBondContact O-CA 3.42Å; T354-C357 WeakPolarHBondContact O-CB 3.47Å; T354-C357 PolarHBondContact O-N 3.23Å; T354-V358 PolarHBondContact O-N 2.99Å; T354-V735 HydrophobicContact CG2-CG1 3.75Å; T354-D753 HydrophobicContact CG2-CB 3.87Å
355	L	86.3	Confident	85.5	Confident	2 Å²	2	14.3 Å²	14.3	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-58.6	-32.1	177	-165.2	55.5	0	0	0	113.1	A351 V352 E353 C357 V358 I754 I756 I772 A785 M786	A351-L355 PolarHBondContact O-N 3.44Å; V352-L355 WeakPolarHBondContact O-CB 3.49Å; V352-L355 PolarHBondContact O-N 3.2Å; E353-L355 PolarHBondContact O-N 2.75Å; L355-C357 PolarHBondContact O-N 2.93Å; L355-V358 HydrophobicContact CD1-CG2 4.1Å; L355-I754 HydrophobicContact CB-CD1 3.63Å; L355-I754 HydrophobicContact CD1-CD1 3.93Å; L355-I754 HydrophobicContact CD1-CG2 4.25Å; L355-I754 HydrophobicContact CD2-CD1 4.48Å; L355-I754 HydrophobicContact CG-CD1 4.18Å; L355-I756 HydrophobicContact CD1-CD1 4.16Å; L355-I772 HydrophobicContact CD2-CD1 3.77Å; L355-A785 HydrophobicContact CD2-CB 3.3Å; L355-M786 HydrophobicContact CD1-CG 3.81Å; L355-M786 HydrophobicContact CD2-CG 4.17Å; L355-M786 HydrophobicContact CG-CB 4.38Å; L355-M786 HydrophobicContact CG-CG 3.61Å
356	G	85.7	Confident	85.3	Confident	4 Å²	4	13.3 Å²	13.3	4%	0.041	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-13	175.5	0	0	0	0	0	114.5	E353 T354	E353-G356 PolarHBondContact O-N 2.64Å; T354-G356 PolarHBondContact O-N 3.13Å
357	C	88.8	Confident	85.2	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-6	-177.5	-47.4	0	0	0	0	113.4	E353 T354 L355 N359 V735 R861	E353-C357 PolarHBondContact OE1-SG 3.49Å; T354-C357 WeakPolarHBondContact O-CA 3.42Å; T354-C357 WeakPolarHBondContact O-CB 3.47Å; T354-C357 PolarHBondContact O-N 3.23Å; L355-C357 PolarHBondContact O-N 2.93Å; C357-N359 PolarHBondContact O-N 2.82Å; C357-N359 PolarHBondContact O-ND2 3.15Å; C357-V735 HydrophobicContact CB-CG1 4.4Å; C357-V735 HydrophobicContact CB-CG2 4.37Å; C357-R861 HydrophobicContact CB-CG 4.22Å; C357-R861 PolarHBondContact SG-NE 3.34Å; C357-R861 PolarHBondContact SG-NH2 2.99Å
358	V	92.6	Very high	85.8	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.			trans	-58.4	128.2	-176.6	171.9	0	0	0	0	109.4	T354 L355 V360 V361 V661 V735 A737 I754 P860	T354-V358 PolarHBondContact O-N 2.99Å; L355-V358 HydrophobicContact CD1-CG2 4.1Å; V358-V360 WeakPolarHBondContact CG1-O 3.49Å; V358-V361 HydrophobicContact CG1-CG2 3.8Å; V358-V661 HydrophobicContact CG1-CG1 4.29Å; V358-V661 WeakPolarHBondContact O-CG2 3.5Å; V358-V735 HydrophobicContact CG2-CG1 4.28Å; V358-A737 HydrophobicContact CB-CB 4.48Å; V358-A737 HydrophobicContact CG1-CB 3.66Å; V358-A737 HydrophobicContact CG2-CB 3.92Å; V358-I754 HydrophobicContact CG2-CG2 3.69Å; V358-P860 VanDerWaalsContact O-CB 3.24Å; V358-P860 WeakPolarHBondContact O-CB 3.34Å
359	N	92	Very high	86.6	Confident	29 Å²	29	6.4 Å²	6.4	16%	0.155	4%	0.038	C	C	.	.			trans	-116.1	-18.7	177.5	40	61.3	0	0	0	111.9	C357 R662 L734 V735 P860	C357-N359 PolarHBondContact O-N 2.82Å; C357-N359 PolarHBondContact O-ND2 3.15Å; N359-R662 PolarHBondContact O-N 2.71Å; N359-L734 WeakPolarHBondContact OD1-CA 3.2Å; N359-L734 WeakPolarHBondContact OD1-CB 3.27Å; N359-L734 WeakPolarHBondContact OD1-CD2 3.47Å; N359-V735 VanDerWaalsContact CG-N 3.3Å; N359-V735 PolarHBondContact N-O 2.91Å; N359-V735 VanDerWaalsContact N-O 3.07Å; N359-V735 PolarHBondContact ND2-N 2.96Å; N359-V735 VanDerWaalsContact ND2-N 3.13Å; N359-V735 PolarHBondContact OD1-N 3.3Å; N359-V735 PolarHBondContact OD1-O 3.03Å; N359-P860 HydrophobicContact CB-CG 4.24Å
360	V	94.9	Very high	87.4	Confident	3 Å²	3	5.3 Å²	5.3	2%	0.018	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.1	170.6	-176.7	0	0	0	0	110.6	V358 R662 I664 L729 L734 V735 V736 A737	V358-V360 WeakPolarHBondContact CG1-O 3.49Å; V360-R662 CarbonylContact C-O 3.57Å; V360-R662 VanDerWaalsContact CA-O 3.28Å; V360-R662 WeakPolarHBondContact CA-O 3.27Å; V360-R662 HydrophobicContact CG2-CB 4.34Å; V360-I664 HydrophobicContact CG1-CD1 3.47Å; V360-I664 VanDerWaalsContact CG1-CD1 3.47Å; V360-I664 HydrophobicContact CG1-CG1 3.9Å; V360-L729 HydrophobicContact CG1-CD1 4.04Å; V360-L729 HydrophobicContact CG1-CD2 4.39Å; V360-L729 HydrophobicContact CG2-CD2 4.4Å; V360-L734 HydrophobicContact CG2-CB 4.28Å; V360-L734 HydrophobicContact CG2-CD1 3.86Å; V360-L734 HydrophobicContact CG2-CG 4.45Å; V360-V735 PolarHBondContact N-O 3.24Å; V360-V736 WeakPolarHBondContact O-CA 3.48Å; V360-A737 PolarHBondContact O-N 2.92Å
361	V	95.4	Very high	87.8	Confident	1 Å²	1	5.8 Å²	5.8	1%	0.006	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	109.9	168.4	-179.7	0	0	0	0	108.2	V358 V661 R662 V663 I664 A737 T739	V358-V361 HydrophobicContact CG1-CG2 3.8Å; V361-V661 HydrophobicContact CG2-CG1 3.79Å; V361-R662 PolarHBondContact N-O 2.76Å; V361-V663 HydrophobicContact CB-CG2 4.42Å; V361-V663 CarbonylContact O-C 3.6Å; V361-V663 WeakPolarHBondContact O-CA 3.39Å; V361-I664 PolarHBondContact O-N 3.16Å; V361-A737 CarbonylContact C-O 3.5Å; V361-A737 WeakPolarHBondContact CA-O 3.33Å; V361-A737 HydrophobicContact CG2-CB 4.22Å; V361-T739 HydrophobicContact CG1-CG2 4.3Å
362	C	95.8	Very high	87.7	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.6	168	-62.8	0	0	0	0	108.4	I664 I666 L729 A737 M738 T739	C362-I664 CarbonylContact C-O 3.53Å; C362-I664 WeakPolarHBondContact CA-O 3.33Å; C362-I666 HydrophobicContact CB-CD1 3.71Å; C362-I666 HydrophobicContact CB-CG1 4.42Å; C362-L729 WeakPolarHBondContact SG-CD1 3.15Å; C362-A737 PolarHBondContact N-O 3.45Å; C362-M738 HydrophobicContact CB-SD 4.02Å; C362-M738 CarbonylContact O-C 3.55Å; C362-M738 VanDerWaalsContact O-CA 3.27Å; C362-M738 WeakPolarHBondContact O-CA 3.38Å; C362-T739 PolarHBondContact O-N 3.06Å
363	S	94.5	Very high	87.7	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.3	-179	-175.3	0	0	0	0	111.6	T368 M369 I664 M665 I666 T739	S363-T368 VanDerWaalsContact OG-CG2 3.28Å; S363-T368 WeakPolarHBondContact OG-CG2 3.37Å; S363-M369 WeakPolarHBondContact OG-CG 3.42Å; S363-I664 PolarHBondContact N-O 3.24Å; S363-M665 WeakPolarHBondContact O-CA 3.32Å; S363-I666 PolarHBondContact O-N 3.29Å; S363-T739 WeakPolarHBondContact CA-OG1 3.2Å; S363-T739 WeakPolarHBondContact CB-OG1 3.31Å; S363-T739 PolarHBondContact OG-OG1 3.22Å
364	D	91.2	Very high	87.7	Confident	14 Å²	14	11 Å²	11	8%	0.075	6%	0.056	C	C	.	.			trans	-64.1	154.1	158.9	-155.9	-5	0	0	0	110.2	T368 M369 I666 K722 T739	D364-T368 WeakPolarHBondContact O-CB 3.46Å; D364-T368 WeakPolarHBondContact O-CG2 3.32Å; D364-M369 WeakPolarHBondContact O-CE 3.35Å; D364-I666 WeakPolarHBondContact CA-O 3.48Å; D364-K722 VanDerWaalsContact CG-NZ 3.31Å; D364-K722 IonicContact OD1-NZ 3.2Å; D364-K722 IonicContact OD2-NZ 3.5Å; D364-K722 PolarHBondContact OD2-NZ 3.48Å; D364-T739 PolarHBondContact N-O 3.37Å
365	K	89.1	Confident	87.7	Confident	8 Å²	8	11.2 Å²	11.2	4%	0.035	6%	0.058	C	C	.	.	I	π-helix	trans	-86.9	-63.9	177.5	-176.5	-133.8	57.5	143	0	110.1	T368 M369 T370 D643 M665 D669 I677	K365-T368 PolarHBondContact O-N 2.77Å; K365-M369 HydrophobicContact CB-CE 4.3Å; K365-M369 PolarHBondContact O-N 3.48Å; K365-T370 HydrophobicContact CD-CG2 4.45Å; K365-T370 HydrophobicContact CG-CG2 4.08Å; K365-T370 PolarHBondContact O-N 3.47Å; K365-T370 PolarHBondContact O-OG1 3.29Å; K365-D643 IonicContact NZ-OD2 3.68Å; K365-M665 HydrophobicContact CB-CG 4.22Å; K365-M665 HydrophobicContact CB-SD 4.1Å; K365-M665 HydrophobicContact CG-CE 4.32Å; K365-M665 HydrophobicContact CG-SD 4.13Å; K365-D669 WeakPolarHBondContact CE-OD2 3.23Å; K365-D669 IonicContact NZ-OD1 3.58Å; K365-D669 IonicContact NZ-OD2 3.66Å; K365-D669 PolarHBondContact NZ-OD2 2.83Å; K365-I677 HydrophobicContact CD-CB 4.44Å; K365-I677 HydrophobicContact CD-CG1 4.23Å; K365-I677 HydrophobicContact CD-CG2 4.37Å; K365-I677 HydrophobicContact CG-CG2 3.98Å
366	T	81.5	Confident	87.9	Confident	13 Å²	13	11.2 Å²	11.2	8%	0.08	6%	0.058	C	C	.	.	I	π-helix	trans	-66.6	132.5	-172.6	-56	0	0	0	0	108.9	T180 T368 T370 N372	T180-T366 HydrophobicContact CG2-CG2 3.54Å; T366-T368 PolarHBondContact O-N 3.43Å; T366-T370 WeakPolarHBondContact CA-OG1 3.49Å; T366-N372 HydrophobicContact CG2-CB 4.26Å
367	G	79.5	Confident	87.9	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	70.8	-21.5	177.3	0	0	0	0	0	115.5	T370 R646 D741	G367-T370 CarbonylContact C-O 3.51Å; G367-T370 WeakPolarHBondContact CA-O 3.49Å; G367-T370 PolarHBondContact N-OG1 2.81Å; G367-R646 PolarHBondContact O-NE 3.46Å; G367-R646 PolarHBondContact O-NH2 3.08Å; G367-D741 WeakPolarHBondContact CA-OD2 3.45Å
368	T	88.1	Confident	88	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-99.2	-66.2	-179.6	-65.6	0	0	0	0	112.1	S363 D364 K365 T366 R646 T739 G740 D741 M758 F779	S363-T368 VanDerWaalsContact OG-CG2 3.28Å; S363-T368 WeakPolarHBondContact OG-CG2 3.37Å; D364-T368 WeakPolarHBondContact O-CB 3.46Å; D364-T368 WeakPolarHBondContact O-CG2 3.32Å; K365-T368 PolarHBondContact O-N 2.77Å; T366-T368 PolarHBondContact O-N 3.43Å; T368-R646 WeakPolarHBondContact O-CD 3.24Å; T368-R646 PolarHBondContact O-NE 3.01Å; T368-T739 WeakPolarHBondContact CG2-OG1 3.33Å; T368-G740 VanDerWaalsContact OG1-C 3.3Å; T368-G740 VanDerWaalsContact OG1-CA 3.26Å; T368-G740 WeakPolarHBondContact OG1-CA 3.48Å; T368-D741 PolarHBondContact N-OD1 3.29Å; T368-D741 PolarHBondContact OG1-N 3.49Å; T368-D741 PolarHBondContact OG1-OD1 2.95Å; T368-M758 HydrophobicContact CG2-CE 3.61Å; T368-F779 HydrophobicContact CG2-CD2 4.43Å; T368-F779 HydrophobicContact CG2-CE2 4.1Å
369	M	89.3	Confident	87.9	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-83.4	-29	174.4	-73.8	-171.7	-81.2	0	0	112.3	S363 D364 K365 P645 R646 V649 I653 M665 L681 L683 F779	S363-M369 WeakPolarHBondContact OG-CG 3.42Å; D364-M369 WeakPolarHBondContact O-CE 3.35Å; K365-M369 HydrophobicContact CB-CE 4.3Å; K365-M369 PolarHBondContact O-N 3.48Å; M369-P645 WeakPolarHBondContact O-CA 3.24Å; M369-R646 PolarHBondContact O-N 3.36Å; M369-V649 HydrophobicContact CB-CG1 4.25Å; M369-V649 HydrophobicContact CG-CG1 4.16Å; M369-I653 HydrophobicContact SD-CD1 4.25Å; M369-M665 HydrophobicContact CE-CB 3.98Å; M369-M665 HydrophobicContact CE-CE 3.48Å; M369-M665 VanDerWaalsContact CE-CE 3.48Å; M369-M665 HydrophobicContact CE-CG 3.63Å; M369-M665 HydrophobicContact CE-SD 4.26Å; M369-M665 HydrophobicContact SD-CE 4.29Å; M369-L681 HydrophobicContact CB-CD1 4.16Å; M369-L681 HydrophobicContact CG-CD1 4.41Å; M369-L681 HydrophobicContact SD-CD1 3.63Å; M369-L683 HydrophobicContact CE-CD1 4.48Å; M369-L683 HydrophobicContact SD-CD1 3.93Å; M369-F779 HydrophobicContact CG-CE2 4.29Å
370	T	87.5	Confident	87.9	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-105.1	163.7	177.8	62.3	0	0	0	0	111	K365 T366 G367 N372 D643 P644 R646 I677	K365-T370 HydrophobicContact CD-CG2 4.45Å; K365-T370 HydrophobicContact CG-CG2 4.08Å; K365-T370 PolarHBondContact O-N 3.47Å; K365-T370 PolarHBondContact O-OG1 3.29Å; T366-T370 WeakPolarHBondContact CA-OG1 3.49Å; G367-T370 CarbonylContact C-O 3.51Å; G367-T370 WeakPolarHBondContact CA-O 3.49Å; G367-T370 PolarHBondContact N-OG1 2.81Å; T370-N372 PolarHBondContact O-N 3.31Å; T370-D643 VanDerWaalsContact CB-CG 3.41Å; T370-D643 WeakPolarHBondContact CB-OD1 3.21Å; T370-D643 WeakPolarHBondContact CB-OD2 3.16Å; T370-D643 VanDerWaalsContact OG1-CG 3.29Å; T370-D643 PolarHBondContact OG1-OD2 2.94Å; T370-P644 VanDerWaalsContact CA-O 3.29Å; T370-P644 WeakPolarHBondContact CA-O 3.23Å; T370-P644 WeakPolarHBondContact CB-O 3.48Å; T370-R646 PolarHBondContact O-NE 3.47Å; T370-I677 HydrophobicContact CG2-CG2 4.25Å
371	K	81.6	Confident	87.7	Confident	43 Å²	43	10.5 Å²	10.5	19%	0.187	5%	0.052	C	C	.	.			trans	-72.9	-14.5	-177.8	-70.3	-175.8	-177.1	175.8	0	113.3	E373 N395 P644 R646	K371-E373 HydrophobicContact CB-CB 3.8Å; K371-E373 PolarHBondContact O-N 3.43Å; K371-N395 PolarHBondContact NZ-ND2 2.98Å; K371-N395 PolarHBondContact NZ-OD1 2.63Å; K371-P644 HydrophobicContact CD-CG 4.3Å; K371-P644 PolarHBondContact N-O 2.96Å; K371-R646 HydrophobicContact CG-CG 3.91Å
372	N	77.4	Confident	87.2	Confident	53 Å²	53	10.7 Å²	10.7	28%	0.283	5%	0.054	S	C	.	.	S	Bend	trans	55.3	40.6	-164.5	-165.9	15.2	0	0	0	111.1	T180 T366 T370 D643	T180-N372 WeakPolarHBondContact CG2-OD1 3.31Å; T366-N372 HydrophobicContact CG2-CB 4.26Å; T370-N372 PolarHBondContact O-N 3.31Å; N372-D643 VanDerWaalsContact CA-OD1 3.32Å; N372-D643 WeakPolarHBondContact CA-OD1 3.33Å; N372-D643 PolarHBondContact N-OD1 3.16Å
373	E	79.9	Confident	86.8	Confident	36 Å²	36	12.2 Å²	12.2	17%	0.168	7%	0.065	C	C	.	.			trans	-135.4	91.9	-174.1	-170.5	-168.9	160.7	0	0	108.5	K371 T375 N395 R502 D643 P644	K371-E373 HydrophobicContact CB-CB 3.8Å; K371-E373 PolarHBondContact O-N 3.43Å; E373-T375 PolarHBondContact O-N 2.74Å; E373-T375 PolarHBondContact O-OG1 3.04Å; E373-N395 PolarHBondContact OE2-ND2 3.16Å; E373-R502 VanDerWaalsContact CD-NH1 3.33Å; E373-R502 IonicContact OE1-CZ 3.91Å; E373-R502 IonicContact OE1-NE 3.5Å; E373-R502 PolarHBondContact OE1-NE 2.62Å; E373-R502 IonicContact OE1-NH1 3.55Å; E373-R502 PolarHBondContact OE1-NH1 3.09Å; E373-R502 IonicContact OE1-NH2 2.84Å; E373-R502 PolarHBondContact OE1-NH2 3.47Å; E373-R502 VanDerWaalsContact OE1-NH2 3.1Å; E373-D643 PolarHBondContact N-OD1 2.85Å; E373-D643 VanDerWaalsContact N-OD1 3.11Å; E373-P644 WeakPolarHBondContact O-CD 3.39Å
374	M	84.2	Confident	86.4	Confident	24 Å²	24	15 Å²	15	12%	0.118	8%	0.08	C	C	.	.			trans	-55	129.6	-179.4	-78.6	-65	-80	0	0	111	P495 A499 R620 L641 D643	M374-P495 HydrophobicContact CB-CB 3.92Å; M374-P495 HydrophobicContact CG-CB 3.83Å; M374-A499 HydrophobicContact CB-CB 4.14Å; M374-A499 WeakPolarHBondContact O-CB 3.5Å; M374-R620 HydrophobicContact CE-CB 4.04Å; M374-L641 HydrophobicContact CE-CB 3.36Å; M374-L641 HydrophobicContact CE-CD2 4.24Å; M374-L641 HydrophobicContact CE-CG 4.39Å; M374-D643 HydrophobicContact SD-CB 4.18Å
375	T	87.1	Confident	86.1	Confident	5 Å²	5	17.3 Å²	17.3	3%	0.031	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.5	-174.6	-54.4	0	0	0	0	109.5	E373 S377 I391 A394 L641 I642	E373-T375 PolarHBondContact O-N 2.74Å; E373-T375 PolarHBondContact O-OG1 3.04Å; T375-S377 PolarHBondContact O-N 3.04Å; T375-I391 HydrophobicContact CG2-CG2 4.43Å; T375-A394 HydrophobicContact CG2-CB 4.22Å; T375-L641 WeakPolarHBondContact O-CA 3.34Å; T375-I642 PolarHBondContact N-O 3.42Å; T375-I642 PolarHBondContact O-N 2.85Å
376	V	89.5	Confident	86	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127	173.2	175.7	0	0	0	0	109.2	I379 I389 A499 L500 L503 V639 L641	V376-I379 HydrophobicContact CG1-CD1 4.45Å; V376-I379 HydrophobicContact CG1-CG1 4.08Å; V376-I389 HydrophobicContact CG1-CD1 3.73Å; V376-A499 HydrophobicContact CG2-CB 4.26Å; V376-L500 HydrophobicContact CG2-CD2 4.19Å; V376-L503 HydrophobicContact CB-CD1 4.01Å; V376-L503 HydrophobicContact CG1-CD1 3.89Å; V376-L503 HydrophobicContact CG1-CD2 4.25Å; V376-L503 HydrophobicContact CG2-CB 4.27Å; V376-L503 HydrophobicContact CG2-CD2 4.36Å; V376-V639 HydrophobicContact CB-CG1 4.12Å; V376-V639 HydrophobicContact CG1-CG1 3.42Å; V376-V639 VanDerWaalsContact CG1-CG1 3.42Å; V376-V639 HydrophobicContact CG2-CG1 3.62Å; V376-L641 HydrophobicContact CG2-CD2 4.26Å; V376-L641 HydrophobicContact CG2-CG 4.3Å
377	S	86.9	Confident	86.2	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-30.2	-179.1	66.4	0	0	0	0	113.4	T375 I389 L619 G640	T375-S377 PolarHBondContact O-N 3.04Å; S377-I389 PolarHBondContact O-N 3.37Å; S377-L619 WeakPolarHBondContact OG-CD2 3.46Å; S377-G640 PolarHBondContact N-O 3.41Å; S377-G640 PolarHBondContact OG-O 2.73Å
378	H	90	Very high	86.4	Confident	20 Å²	20	29.4 Å²	29.4	9%	0.093	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.9	-178.4	-64.1	73	0	0	0	110.1	Y387 L614 L619 V639 G640	H378-Y387 CarbonylContact C-O 3.56Å; H378-Y387 VanDerWaalsContact CA-O 3.29Å; H378-Y387 WeakPolarHBondContact CA-O 3.38Å; H378-L614 HydrophobicContact CB-CD2 3.83Å; H378-L619 HydrophobicContact CB-CD1 4.1Å; H378-L619 VanDerWaalsContact ND1-CD1 3.27Å; H378-L619 WeakPolarHBondContact ND1-CD1 3.4Å; H378-V639 WeakPolarHBondContact O-CA 3.42Å; H378-G640 PolarHBondContact N-O 3.09Å; H378-G640 VanDerWaalsContact N-O 3.15Å; H378-G640 PolarHBondContact O-N 2.83Å
379	I	91.2	Very high	86	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.3	170.3	-60.7	178	0	0	0	107.3	V376 R386 Y387 I389 L471 I474 L503 L638 V639	V376-I379 HydrophobicContact CG1-CD1 4.45Å; V376-I379 HydrophobicContact CG1-CG1 4.08Å; I379-R386 CarbonylContact O-C 3.58Å; I379-R386 WeakPolarHBondContact O-CA 3.47Å; I379-Y387 PolarHBondContact N-O 3.44Å; I379-Y387 PolarHBondContact O-N 2.62Å; I379-I389 HydrophobicContact CD1-CD1 3.59Å; I379-I389 HydrophobicContact CG1-CD1 3.8Å; I379-L471 HydrophobicContact CD1-CD2 3.66Å; I379-L471 HydrophobicContact CG2-CD2 4.32Å; I379-L471 HydrophobicContact CG2-CG 4.42Å; I379-I474 HydrophobicContact CG2-CD1 3.63Å; I379-I474 HydrophobicContact CG2-CG2 4.35Å; I379-L503 HydrophobicContact CD1-CD1 4.09Å; I379-L503 HydrophobicContact CD1-CD2 3.83Å; I379-L638 CarbonylContact C-O 3.59Å; I379-L638 WeakPolarHBondContact CA-O 3.36Å; I379-V639 HydrophobicContact CG1-CG2 4.44Å
380	V	91.5	Very high	85.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122	170.8	178.8	0	0	0	0	107.3	L384 E385 R386 L614 G637 L638	V380-L384 HydrophobicContact CG1-CB 4.46Å; V380-L384 HydrophobicContact CG1-CD2 4.14Å; V380-E385 VanDerWaalsContact CA-O 3.29Å; V380-E385 WeakPolarHBondContact CA-O 3.47Å; V380-R386 HydrophobicContact CG2-CB 4.36Å; V380-R386 HydrophobicContact CG2-CG 4.11Å; V380-L614 HydrophobicContact CG2-CD1 3.89Å; V380-L614 HydrophobicContact CG2-CD2 4.46Å; V380-L614 HydrophobicContact CG2-CG 4.48Å; V380-G637 CarbonylContact O-C 3.09Å; V380-G637 WeakPolarHBondContact O-CA 3.4Å; V380-L638 HydrophobicContact CB-CB 4.16Å; V380-L638 PolarHBondContact N-O 2.85Å; V380-L638 PolarHBondContact O-N 2.77Å
381	T	90.8	Very high	84.1	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	170	-179.9	60.6	0	0	0	0	111.6	S383 L384 E385 Y387 L471 I474 H636	T381-S383 PolarHBondContact O-N 2.92Å; T381-S383 PolarHBondContact OG1-OG 2.91Å; T381-L384 WeakPolarHBondContact O-CA 3.38Å; T381-L384 PolarHBondContact O-N 3.27Å; T381-E385 PolarHBondContact N-O 3.36Å; T381-E385 VanDerWaalsContact OG1-CB 3.31Å; T381-E385 WeakPolarHBondContact OG1-CB 3.41Å; T381-E385 PolarHBondContact OG1-N 3.27Å; T381-E385 VanDerWaalsContact OG1-N 3.1Å; T381-E385 PolarHBondContact OG1-OE2 3.21Å; T381-Y387 HydrophobicContact CG2-CD2 4.18Å; T381-Y387 HydrophobicContact CG2-CE2 3.65Å; T381-L471 HydrophobicContact CG2-CD1 4.34Å; T381-I474 HydrophobicContact CG2-CD1 4.29Å; T381-H636 CarbonylContact C-O 3.58Å
382	G	85.6	Confident	82.9	Confident	5 Å²	5	41.7 Å²	41.7	5%	0.052	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.2	174.8	0	0	0	0	0	114.1	L384 T564 S565 H636	G382-L384 VanDerWaalsContact C-N 3.29Å; G382-T564 PolarHBondContact O-OG1 2.91Å; G382-S565 CarbonylContact C-O 3.57Å; G382-S565 VanDerWaalsContact CA-O 3.26Å; G382-S565 WeakPolarHBondContact CA-O 3.31Å; G382-H636 PolarHBondContact N-O 3.49Å
383	S	85.8	Confident	81.4	Confident	32 Å²	32	45.2 Å²	45.2	22%	0.224	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.4	169.5	43.1	0	0	0	0	113.9	T381 E385 S565 S567	T381-S383 PolarHBondContact O-N 2.92Å; T381-S383 PolarHBondContact OG1-OG 2.91Å; S383-E385 VanDerWaalsContact C-N 3.29Å; S383-E385 PolarHBondContact O-N 2.99Å; S383-E385 PolarHBondContact OG-OE2 3.36Å; S383-S565 PolarHBondContact N-O 2.96Å; S383-S567 WeakPolarHBondContact CB-OG 3.22Å; S383-S567 WeakPolarHBondContact OG-CB 3.36Å; S383-S567 PolarHBondContact OG-OG 2.83Å
384	L	86.9	Confident	79.7	Confident	60 Å²	60	44.2 Å²	44.2	31%	0.314	22%	0.224	S	C	.	.			trans	65.1	24.8	-179.8	-52.5	175.3	0	0	0	114.6	V380 T381 G382 A606 I607 E610	V380-L384 HydrophobicContact CG1-CB 4.46Å; V380-L384 HydrophobicContact CG1-CD2 4.14Å; T381-L384 WeakPolarHBondContact O-CA 3.38Å; T381-L384 PolarHBondContact O-N 3.27Å; G382-L384 VanDerWaalsContact C-N 3.29Å; L384-A606 HydrophobicContact CD1-CB 3.74Å; L384-I607 HydrophobicContact CD2-CG1 3.95Å; L384-E610 HydrophobicContact CD2-CB 4.48Å; L384-E610 HydrophobicContact CD2-CG 4.2Å
385	E	85.7	Confident	77.5	Confident	62 Å²	62	46.7 Å²	46.7	29%	0.29	24%	0.237	S	C	.	.			trans	-79.3	127.6	172.1	-57.8	159.9	165.3	0	0	109.7	V380 T381 S383 Y387 S567	V380-E385 VanDerWaalsContact CA-O 3.29Å; V380-E385 WeakPolarHBondContact CA-O 3.47Å; T381-E385 PolarHBondContact N-O 3.36Å; T381-E385 VanDerWaalsContact OG1-CB 3.31Å; T381-E385 WeakPolarHBondContact OG1-CB 3.41Å; T381-E385 PolarHBondContact OG1-N 3.27Å; T381-E385 VanDerWaalsContact OG1-N 3.1Å; T381-E385 PolarHBondContact OG1-OE2 3.21Å; S383-E385 VanDerWaalsContact C-N 3.29Å; S383-E385 PolarHBondContact O-N 2.99Å; S383-E385 PolarHBondContact OG-OE2 3.36Å; E385-Y387 HydrophobicContact CB-CE2 3.81Å; E385-Y387 PolarHBondContact OE2-OH 3.04Å; E385-S567 VanDerWaalsContact CD-OG 3.28Å; E385-S567 WeakPolarHBondContact OE1-CB 3.37Å; E385-S567 PolarHBondContact OE1-OG 3.42Å; E385-S567 PolarHBondContact OE2-OG 3.1Å
386	R	85.8	Confident	75.2	Confident	104 Å²	104	54.5 Å²	54.5	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.7	-176.5	-169.5	-175.6	-70.7	177.2	0.9	111.8	I379 V380 E610	I379-R386 CarbonylContact O-C 3.58Å; I379-R386 WeakPolarHBondContact O-CA 3.47Å; V380-R386 HydrophobicContact CG2-CB 4.36Å; V380-R386 HydrophobicContact CG2-CG 4.11Å; R386-E610 IonicContact CZ-OE2 3.29Å; R386-E610 IonicContact NE-OE2 2.69Å; R386-E610 IonicContact NH2-OE1 3.91Å; R386-E610 IonicContact NH2-OE2 3.88Å; R386-E610 PolarHBondContact NH2-OE2 3.27Å
387	Y	86.3	Confident	72.8	Confident	70 Å²	70	60 Å²	60	28%	0.275	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.7	173.7	-60.8	-89.2	0	0	0	109.9	H378 I379 T381 E385 P468 L471	H378-Y387 CarbonylContact C-O 3.56Å; H378-Y387 VanDerWaalsContact CA-O 3.29Å; H378-Y387 WeakPolarHBondContact CA-O 3.38Å; I379-Y387 PolarHBondContact N-O 3.44Å; I379-Y387 PolarHBondContact O-N 2.62Å; T381-Y387 HydrophobicContact CG2-CD2 4.18Å; T381-Y387 HydrophobicContact CG2-CE2 3.65Å; E385-Y387 HydrophobicContact CB-CE2 3.81Å; E385-Y387 PolarHBondContact OE2-OH 3.04Å; Y387-P468 HydrophobicContact CE1-CG 3.76Å; Y387-P468 VanDerWaalsContact OH-CG 3.31Å; Y387-P468 WeakPolarHBondContact OH-CG 3.41Å; Y387-L471 HydrophobicContact CD1-CD1 4.41Å; Y387-L471 HydrophobicContact CD2-CD1 3.85Å; Y387-L471 HydrophobicContact CE1-CD1 4.27Å; Y387-L471 HydrophobicContact CE2-CD1 3.68Å; Y387-L471 HydrophobicContact CG-CD1 4.22Å
388	T	84.1	Confident	70.3	Confident	100 Å²	100	62.9 Å²	62.9	61%	0.613	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.8	174.2	-53	0	0	0	0	108.8
389	I	80	Confident	67.6	Low	7 Å²	7	69 Å²	69	4%	0.036	35%	0.348	C	S	.	.			trans	-100	126.4	-176.1	-65.7	156.6	0	0	0	109.2	V376 S377 I379 I391 L503 Q506 F507	V376-I389 HydrophobicContact CG1-CD1 3.73Å; S377-I389 PolarHBondContact O-N 3.37Å; I379-I389 HydrophobicContact CD1-CD1 3.59Å; I379-I389 HydrophobicContact CG1-CD1 3.8Å; I389-I391 PolarHBondContact O-N 2.97Å; I389-L503 HydrophobicContact CD1-CD1 3.48Å; I389-L503 VanDerWaalsContact CD1-CD1 3.48Å; I389-Q506 VanDerWaalsContact CG2-NE2 3.3Å; I389-F507 HydrophobicContact CD1-CE2 3.99Å; I389-F507 HydrophobicContact CD1-CZ 4.36Å; I389-F507 HydrophobicContact CG1-CE2 4.2Å; I389-F507 HydrophobicContact CG1-CZ 4.13Å
390	P	70.5	Confident	64.8	Low	72 Å²	72	72.4 Å²	72.4	47%	0.468	37%	0.368	S	S	.	.			trans	-68	117.8	177	18.5	-20.8	0	0	0	110.9	E392 Q506	P390-E392 VanDerWaalsContact C-N 3.33Å; P390-E392 PolarHBondContact O-N 2.96Å; P390-Q506 PolarHBondContact O-NE2 3.14Å
391	I	66.5	Low	61.9	Low	38 Å²	38	75.1 Å²	75.1	20%	0.195	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-69.3	-30.1	-176.2	-54.6	178.1	0	0	0	111.6	T375 I389 Q393 A394 I642 P644	T375-I391 HydrophobicContact CG2-CG2 4.43Å; I389-I391 PolarHBondContact O-N 2.97Å; I391-Q393 PolarHBondContact O-N 2.84Å; I391-A394 PolarHBondContact O-N 2.77Å; I391-I642 HydrophobicContact CD1-CG2 3.97Å; I391-P644 HydrophobicContact CD1-CB 4.28Å; I391-P644 HydrophobicContact CG2-CB 3.36Å; I391-P644 HydrophobicContact CG2-CG 3.88Å
392	E	55.9	Low	59.2	Low	185 Å²	185	77.9 Å²	77.9	86%	0.864	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.2	-176.4	-69.4	-175.7	167	0	0	114.1	P390	P390-E392 VanDerWaalsContact C-N 3.33Å; P390-E392 PolarHBondContact O-N 2.96Å
393	Q	44.5	Very low	56.5	Low	126 Å²	126	79.4 Å²	79.4	59%	0.589	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-91	-13.4	179.4	-70.6	-177.2	-5.4	0	0	113.7	I391 N395	I391-Q393 PolarHBondContact O-N 2.84Å; Q393-N395 PolarHBondContact O-N 3.44Å; Q393-N395 VanDerWaalsContact O-N 3.16Å
394	A	44.1	Very low	54	Low	16 Å²	16	82.1 Å²	82.1	13%	0.132	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18	-174.7	0	0	0	0	0	114.3	T375 I391	T375-A394 HydrophobicContact CG2-CB 4.22Å; I391-A394 PolarHBondContact O-N 2.77Å
395	N	38.3	Very low	51.5	Low	75 Å²	75	81.8 Å²	81.8	40%	0.401	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	3.8	-173.3	-70.1	45.2	0	0	0	114.7	K371 E373 Q393	K371-N395 PolarHBondContact NZ-ND2 2.98Å; K371-N395 PolarHBondContact NZ-OD1 2.63Å; E373-N395 PolarHBondContact OE2-ND2 3.16Å; Q393-N395 PolarHBondContact O-N 3.44Å; Q393-N395 VanDerWaalsContact O-N 3.16Å
396	K	39.2	Very low	49	Very low	170 Å²	170	82.9 Å²	82.9	74%	0.739	43%	0.432	S	S	*	.	S	Bend	trans	-99.3	-13.6	-171.6	-87.6	-174.4	177.2	179.3	0	117.1
397	H	38.4	Very low	46.8	Very low	118 Å²	118	82 Å²	82	55%	0.546	43%	0.433	S	S	.	.			trans	-146.8	108.6	-174	-70	-55.5	0	0	0	113.5
398	T	36.4	Very low	44.4	Very low	61 Å²	61	85.4 Å²	85.4	37%	0.374	46%	0.457	S	S	.	.			trans	-130.6	3.8	170.1	38.9	0	0	0	0	114.3	T400 N489	T398-T400 PolarHBondContact O-N 3.26Å; T398-N489 PolarHBondContact OG1-OD1 2.95Å
399	D	31.8	Very low	42.3	Very low	149 Å²	149	88.8 Å²	88.8	80%	0.797	46%	0.459	S	S	*	.			trans	-94.5	58.5	178.9	-70.7	-21.2	0	0	0	113.6
400	T	33.8	Very low	40.1	Very low	71 Å²	71	92 Å²	92	44%	0.436	49%	0.487	S	S	.	.			trans	-133.4	103.9	172	40.3	0	0	0	0	111.3	T398	T398-T400 PolarHBondContact O-N 3.26Å
401	A	29.7	Very low	38.4	Very low	57 Å²	57	95.4 Å²	95.4	47%	0.471	50%	0.501	S	S	.	.			trans	-75	119.9	164.9	0	0	0	0	0	109
402	C	33.6	Very low	37.2	Very low	58 Å²	58	103.4 Å²	103.4	39%	0.392	54%	0.537	S	S	.	.			trans	-76.2	128.9	173.9	-73.6	0	0	0	0	110.2	L510	C402-L510 HydrophobicContact CB-CD1 3.81Å
403	V	29.3	Very low	36.4	Very low	37 Å²	37	98.8 Å²	98.8	22%	0.224	52%	0.522	C	S	.	.			trans	-108.7	131.7	178.5	-178.7	0	0	0	0	108.9	V418	V403-V418 HydrophobicContact CB-CG1 4.48Å; V403-V418 HydrophobicContact CG1-CG1 3.14Å
404	K	33.4	Very low	36.5	Very low	88 Å²	88	97 Å²	97	38%	0.383	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.7	177	-166.6	-173.3	178.6	-136.7	0	109.6	D406 F515	K404-D406 WeakPolarHBondContact CE-OD1 3.41Å; K404-D406 VanDerWaalsContact NZ-CG 3.27Å; K404-D406 IonicContact NZ-OD1 2.89Å; K404-D406 PolarHBondContact NZ-OD1 3.36Å; K404-D406 IonicContact NZ-OD2 2.76Å; K404-D406 PolarHBondContact NZ-OD2 3.46Å; K404-F515 HydrophobicContact CD-CE1 4.28Å
405	L	33.7	Very low	36.4	Very low	54 Å²	54	101.8 Å²	101.8	28%	0.283	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105	173.4	-79.6	165.7	0	0	0	109.1	L416 V418	L405-L416 HydrophobicContact CD2-CD2 3.27Å; L405-L416 HydrophobicContact CD2-CG 3.94Å; L405-L416 HydrophobicContact CG-CD2 4.5Å; L405-V418 HydrophobicContact CD2-CB 4.46Å; L405-V418 HydrophobicContact CD2-CG1 4.48Å; L405-V418 HydrophobicContact CD2-CG2 3.73Å
406	D	34	Very low	36.7	Very low	85 Å²	85	99.9 Å²	99.9	46%	0.455	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	104.8	168.4	-80.1	-36.1	0	0	0	108.4	K404 N408	K404-D406 WeakPolarHBondContact CE-OD1 3.41Å; K404-D406 VanDerWaalsContact NZ-CG 3.27Å; K404-D406 IonicContact NZ-OD1 2.89Å; K404-D406 PolarHBondContact NZ-OD1 3.36Å; K404-D406 IonicContact NZ-OD2 2.76Å; K404-D406 PolarHBondContact NZ-OD2 3.46Å; D406-N408 PolarHBondContact O-N 2.72Å
407	I	38.5	Very low	36.6	Very low	84 Å²	84	94.4 Å²	94.4	43%	0.431	50%	0.502	S	S	.	.			trans	-83	105.2	176.3	-57.5	170.7	0	0	0	107.8	Y409 L416	I407-Y409 HydrophobicContact CB-CE2 4.36Å; I407-Y409 HydrophobicContact CG2-CD2 4.09Å; I407-Y409 HydrophobicContact CG2-CE1 4.23Å; I407-Y409 HydrophobicContact CG2-CE2 3.55Å; I407-L416 HydrophobicContact CG1-CD1 4.2Å
408	N	37.3	Very low	36.7	Very low	142 Å²	142	90.4 Å²	90.4	76%	0.759	49%	0.486	S	S	*	.			trans	-100.7	109.8	179.5	-134.6	-5.1	0	0	0	109.9	D406 A410	D406-N408 PolarHBondContact O-N 2.72Å; N408-A410 PolarHBondContact O-N 3.37Å; N408-A410 VanDerWaalsContact O-N 3.1Å
409	Y	39.9	Very low	36.7	Very low	171 Å²	171	89.5 Å²	89.5	67%	0.671	48%	0.483	S	S	*	.			trans	-83	81.3	179.5	-66.7	-87.3	0	0	0	110.3	I407	I407-Y409 HydrophobicContact CB-CE2 4.36Å; I407-Y409 HydrophobicContact CG2-CD2 4.09Å; I407-Y409 HydrophobicContact CG2-CE1 4.23Å; I407-Y409 HydrophobicContact CG2-CE2 3.55Å
410	A	33.1	Very low	36.9	Very low	74 Å²	74	84.4 Å²	84.4	61%	0.612	46%	0.458	S	S	*	.			trans	-125.7	113.5	171.2	0	0	0	0	0	110.3	N408	N408-A410 PolarHBondContact O-N 3.37Å; N408-A410 VanDerWaalsContact O-N 3.1Å
411	N	34.9	Very low	37	Very low	145 Å²	145	86.8 Å²	86.8	78%	0.775	49%	0.485	S	S	*	.	S	Bend	trans	60.3	95.4	169.7	-64.1	-14.4	0	0	0	117.8	T413	N411-T413 PolarHBondContact O-N 2.71Å; N411-T413 PolarHBondContact O-OG1 3.4Å
412	H	42.2	Very low	37.3	Very low	205 Å²	205	88.2 Å²	88.2	95%	0.949	50%	0.497	S	S	*	.	S	Bend	trans	34.4	15.9	151.1	-86	-65.8	0	0	0	121.2
413	T	37.9	Very low	37.2	Very low	89 Å²	89	90.1 Å²	90.1	55%	0.546	51%	0.507	S	S	.	.	S	Bend	trans	-137.9	113.3	179	48.8	0	0	0	0	108.6	N411 Y415	N411-T413 PolarHBondContact O-N 2.71Å; N411-T413 PolarHBondContact O-OG1 3.4Å; T413-Y415 PolarHBondContact O-N 3.4Å
414	N	47.3	Very low	37.4	Very low	89 Å²	89	92.7 Å²	92.7	48%	0.476	53%	0.532	S	S	.	.			trans	-75.8	86.7	-170.2	-65.3	-23.6	0	0	0	111.3	L430	N414-L430 HydrophobicContact CB-CB 4.4Å; N414-L430 PolarHBondContact O-N 3.45Å; N414-L430 VanDerWaalsContact O-N 3.15Å
415	Y	42.3	Very low	37.6	Very low	115 Å²	115	94.1 Å²	94.1	45%	0.451	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.7	169.3	-62.7	-78.3	0	0	0	110.4	T413 K429	T413-Y415 PolarHBondContact O-N 3.4Å; Y415-K429 HydrophobicContact CD1-CB 3.87Å; Y415-K429 HydrophobicContact CD1-CG 3.94Å; Y415-K429 HydrophobicContact CE1-CB 3.73Å; Y415-K429 HydrophobicContact CE1-CD 3.73Å; Y415-K429 HydrophobicContact CE1-CG 3.55Å
416	L	43.7	Very low	37.9	Very low	35 Å²	35	95.6 Å²	95.6	18%	0.183	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.9	120.3	174.4	-156.5	102.6	0	0	0	107.9	L405 I407 V418 T427 I428 L430	L405-L416 HydrophobicContact CD2-CD2 3.27Å; L405-L416 HydrophobicContact CD2-CG 3.94Å; L405-L416 HydrophobicContact CG-CD2 4.5Å; I407-L416 HydrophobicContact CG1-CD1 4.2Å; L416-V418 HydrophobicContact CD2-CG2 4.26Å; L416-T427 WeakPolarHBondContact O-CA 3.46Å; L416-I428 PolarHBondContact N-O 2.82Å; L416-I428 PolarHBondContact O-N 3.46Å; L416-L430 HydrophobicContact CB-CD1 4.25Å; L416-L430 HydrophobicContact CD1-CD1 3.98Å
417	T	37.6	Very low	38.1	Very low	55 Å²	55	95.8 Å²	95.8	34%	0.337	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.5	120.6	179.4	-43.6	0	0	0	0	109.3	N425 T427	T417-N425 HydrophobicContact CG2-CB 4.49Å; T417-T427 HydrophobicContact CG2-CG2 4.22Å
418	V	40.8	Very low	38.3	Very low	35 Å²	35	96.3 Å²	96.3	21%	0.212	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	118.7	-178.6	-171.5	0	0	0	0	108.7	V403 L405 L416 T426 I428	V403-V418 HydrophobicContact CB-CG1 4.48Å; V403-V418 HydrophobicContact CG1-CG1 3.14Å; L405-V418 HydrophobicContact CD2-CB 4.46Å; L405-V418 HydrophobicContact CD2-CG1 4.48Å; L405-V418 HydrophobicContact CD2-CG2 3.73Å; L416-V418 HydrophobicContact CD2-CG2 4.26Å; V418-T426 PolarHBondContact N-O 2.99Å; V418-T426 PolarHBondContact O-N 3.01Å; V418-I428 HydrophobicContact CG2-CD1 4.47Å
419	S	35.5	Very low	38.6	Very low	42 Å²	42	95.5 Å²	95.5	29%	0.294	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	120.4	176.1	48.9	0	0	0	0	110.6
420	S	36.3	Very low	38.9	Very low	41 Å²	41	89.8 Å²	89.8	29%	0.287	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.3	172.4	157.4	0	0	0	0	108.3	A422 T423	S420-A422 PolarHBondContact O-N 3.17Å; S420-A422 PolarHBondContact OG-N 3.46Å; S420-A422 VanDerWaalsContact OG-N 3.15Å; S420-T423 PolarHBondContact O-N 3.09Å
421	A	36.5	Very low	39.4	Very low	121 Å²	121	93 Å²	93	100%	1	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-8.8	176.1	0	0	0	0	0	113.5
422	A	35.3	Very low	39.9	Very low	88 Å²	88	91.6 Å²	91.6	73%	0.727	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-12.5	-177.5	0	0	0	0	0	115.1	S420	S420-A422 PolarHBondContact O-N 3.17Å; S420-A422 PolarHBondContact OG-N 3.46Å; S420-A422 VanDerWaalsContact OG-N 3.15Å
423	T	32.1	Very low	40.2	Very low	98 Å²	98	85.5 Å²	85.5	60%	0.601	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.4	-176.2	49.2	0	0	0	0	112.8	S420	S420-T423 PolarHBondContact O-N 3.09Å
424	A	33.1	Very low	40.6	Very low	90 Å²	90	85.2 Å²	85.2	74%	0.744	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-47.6	144.4	-177.8	0	0	0	0	0	114.7	T426	A424-T426 PolarHBondContact O-N 3.25Å; A424-T426 PolarHBondContact O-OG1 3.41Å
425	N	38.7	Very low	40.5	Very low	118 Å²	118	84.6 Å²	84.6	63%	0.631	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-46.2	126.8	-178.3	-64.4	-16.1	0	0	0	112.4	T417	T417-N425 HydrophobicContact CG2-CB 4.49Å
426	T	39.6	Very low	40.7	Very low	86 Å²	86	81.7 Å²	81.7	53%	0.528	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127	174.5	-40.5	0	0	0	0	109.6	V418 A424	V418-T426 PolarHBondContact N-O 2.99Å; V418-T426 PolarHBondContact O-N 3.01Å; A424-T426 PolarHBondContact O-N 3.25Å; A424-T426 PolarHBondContact O-OG1 3.41Å
427	T	38.1	Very low	40.9	Very low	89 Å²	89	85.1 Å²	85.1	55%	0.546	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.7	179.1	3.5	0	0	0	0	110.5	L416 T417	L416-T427 WeakPolarHBondContact O-CA 3.46Å; T417-T427 HydrophobicContact CG2-CG2 4.22Å
428	I	43.1	Very low	41.4	Very low	94 Å²	94	90 Å²	90	48%	0.482	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.9	177.6	-56.8	173.8	0	0	0	109	L416 V418	L416-I428 PolarHBondContact N-O 2.82Å; L416-I428 PolarHBondContact O-N 3.46Å; V418-I428 HydrophobicContact CG2-CD1 4.47Å
429	K	41.9	Very low	41.5	Very low	126 Å²	126	91 Å²	91	55%	0.548	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.5	176.7	-164.4	179.1	-178.1	-175.9	0	110.2	Y415	Y415-K429 HydrophobicContact CD1-CB 3.87Å; Y415-K429 HydrophobicContact CD1-CG 3.94Å; Y415-K429 HydrophobicContact CE1-CB 3.73Å; Y415-K429 HydrophobicContact CE1-CD 3.73Å; Y415-K429 HydrophobicContact CE1-CG 3.55Å
430	L	48	Very low	41.9	Very low	50 Å²	50	93.9 Å²	93.9	26%	0.262	56%	0.556	S	S	.	*			trans	-98.5	111.4	-179.9	-84	157.8	0	0	0	111.1	N414 L416 L435	N414-L430 HydrophobicContact CB-CB 4.4Å; N414-L430 PolarHBondContact O-N 3.45Å; N414-L430 VanDerWaalsContact O-N 3.15Å; L416-L430 HydrophobicContact CB-CD1 4.25Å; L416-L430 HydrophobicContact CD1-CD1 3.98Å; L430-L435 HydrophobicContact CD2-CD2 3.59Å
431	D	42	Very low	42.4	Very low	142 Å²	142	95.9 Å²	95.9	76%	0.759	57%	0.57	S	S	*	*			trans	-93.5	9.3	-178.2	-83	-14.3	0	0	0	114.7
432	N	47.1	Very low	42.6	Very low	115 Å²	115	94.9 Å²	94.9	62%	0.615	55%	0.548	S	S	*	.			trans	-130.4	112.5	-178	-112.5	-22.3	0	0	0	113.9	S434 L435	N432-S434 VanDerWaalsContact C-N 3.3Å; N432-S434 PolarHBondContact O-N 3.2Å; N432-L435 PolarHBondContact O-N 3.12Å
433	A	46.8	Very low	42.8	Very low	77 Å²	77	99.2 Å²	99.2	64%	0.636	55%	0.553	S	S	*	*	H	α-helix	trans	-67.2	-22.6	-178.2	0	0	0	0	0	114.4	L435	A433-L435 VanDerWaalsContact C-N 3.34Å
434	S	47.4	Very low	43.1	Very low	83 Å²	83	97.9 Å²	97.9	58%	0.58	54%	0.541	S	S	*	.	H	α-helix	trans	-71.8	-27.6	177.8	60.6	0	0	0	0	113.2	N432	N432-S434 VanDerWaalsContact C-N 3.3Å; N432-S434 PolarHBondContact O-N 3.2Å
435	L	45.6	Very low	43.2	Very low	77 Å²	77	98.8 Å²	98.8	40%	0.403	54%	0.538	S	S	.	.	H	α-helix	trans	-72.6	-35.6	178.8	-155.4	93.4	0	0	0	111.4	L430 N432 A433 N437 K438 L439	L430-L435 HydrophobicContact CD2-CD2 3.59Å; N432-L435 PolarHBondContact O-N 3.12Å; A433-L435 VanDerWaalsContact C-N 3.34Å; L435-N437 PolarHBondContact O-N 3.27Å; L435-K438 PolarHBondContact O-N 3.46Å; L435-L439 PolarHBondContact O-N 3.19Å
436	L	45.5	Very low	43	Very low	53 Å²	53	99 Å²	99	28%	0.277	54%	0.535	S	S	.	.	H	α-helix	trans	-62.3	-42.1	178.6	-162	85.8	0	0	0	111.6	K438 L439 M440	L436-K438 PolarHBondContact O-N 3.26Å; L436-L439 PolarHBondContact O-N 3.09Å; L436-M440 HydrophobicContact CD2-CE 3.74Å; L436-M440 HydrophobicContact CG-CE 4Å; L436-M440 WeakPolarHBondContact O-CG 3.32Å; L436-M440 PolarHBondContact O-N 3.27Å
437	N	47.7	Very low	42.8	Very low	107 Å²	107	100 Å²	100	57%	0.572	53%	0.53	S	S	*	.	H	α-helix	trans	-68.6	-32.5	179.3	-77.2	-12.9	0	0	0	113.1	L435 M440 S441	L435-N437 PolarHBondContact O-N 3.27Å; N437-M440 PolarHBondContact O-N 3.3Å; N437-S441 PolarHBondContact O-N 3.42Å; N437-S441 VanDerWaalsContact O-N 3.08Å
438	K	48.5	Very low	42.6	Very low	159 Å²	159	99.8 Å²	99.8	69%	0.691	52%	0.522	S	S	*	.	H	α-helix	trans	-72.2	-35.6	176.7	-106.7	179.7	177	-179.3	0	113.1	L435 L436 S441	L435-K438 PolarHBondContact O-N 3.46Å; L436-K438 PolarHBondContact O-N 3.26Å; K438-S441 PolarHBondContact O-OG 2.87Å
439	L	43	Very low	42.1	Very low	54 Å²	54	102 Å²	102	28%	0.283	53%	0.532	S	S	.	.	H	α-helix	trans	-70.7	-35.6	173.3	-76.4	164.1	0	0	0	111.3	L435 L436 Y447	L435-L439 PolarHBondContact O-N 3.19Å; L436-L439 PolarHBondContact O-N 3.09Å; L439-Y447 HydrophobicContact CD2-CD2 4.33Å; L439-Y447 HydrophobicContact CD2-CE2 4.03Å
440	M	43.3	Very low	41.6	Very low	104 Å²	104	99.2 Å²	99.2	51%	0.512	53%	0.529	S	S	.	.	H	α-helix	trans	-71.2	-32.6	176.8	-75.7	-151.1	-99.2	0	0	114.2	L436 N437 N442	L436-M440 HydrophobicContact CD2-CE 3.74Å; L436-M440 HydrophobicContact CG-CE 4Å; L436-M440 WeakPolarHBondContact O-CG 3.32Å; L436-M440 PolarHBondContact O-N 3.27Å; N437-M440 PolarHBondContact O-N 3.3Å; M440-N442 VanDerWaalsContact C-N 3.34Å; M440-N442 PolarHBondContact O-N 3.44Å
441	S	46.2	Very low	40.9	Very low	82 Å²	82	100.6 Å²	100.6	57%	0.573	55%	0.548	S	S	*	.	H	α-helix	trans	-75.1	-20.9	-177.5	70.9	0	0	0	0	114.5	N437 K438	N437-S441 PolarHBondContact O-N 3.42Å; N437-S441 VanDerWaalsContact O-N 3.08Å; K438-S441 PolarHBondContact O-OG 2.87Å
442	N	41.6	Very low	40.2	Very low	100 Å²	100	101.2 Å²	101.2	54%	0.535	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.6	5.8	-165.5	-72.2	2.3	0	0	0	114.8	M440 I444	M440-N442 VanDerWaalsContact C-N 3.34Å; M440-N442 PolarHBondContact O-N 3.44Å; N442-I444 HydrophobicContact CB-CD1 3.51Å; N442-I444 HydrophobicContact CB-CG1 3.49Å; N442-I444 VanDerWaalsContact CB-CG1 3.49Å; N442-I444 PolarHBondContact O-N 3.2Å
443	H	40.7	Very low	39.3	Very low	180 Å²	180	98.7 Å²	98.7	83%	0.833	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	40.1	-175.1	-80.2	-67.1	0	0	0	112.8	T445	H443-T445 PolarHBondContact O-N 3.42Å; H443-T445 VanDerWaalsContact O-N 3.14Å
444	I	38	Very low	38.4	Very low	70 Å²	70	106.6 Å²	106.6	36%	0.359	56%	0.559	S	S	.	*			trans	-81.2	101.6	-176.6	-61.3	170.3	0	0	0	108	N442 H446 Y447	N442-I444 HydrophobicContact CB-CD1 3.51Å; N442-I444 HydrophobicContact CB-CG1 3.49Å; N442-I444 VanDerWaalsContact CB-CG1 3.49Å; N442-I444 PolarHBondContact O-N 3.2Å; I444-H446 VanDerWaalsContact CG2-O 3.24Å; I444-H446 WeakPolarHBondContact CG2-O 3.34Å; I444-Y447 HydrophobicContact CG2-CD2 3.99Å; I444-Y447 HydrophobicContact CG2-CE2 4.34Å
445	T	34.8	Very low	37.5	Very low	108 Å²	108	108.6 Å²	108.6	66%	0.663	57%	0.573	S	S	*	*			trans	-89	-4.9	177.1	50.2	0	0	0	0	113.6	H443	H443-T445 PolarHBondContact O-N 3.42Å; H443-T445 VanDerWaalsContact O-N 3.14Å
446	H	34.9	Very low	36.4	Very low	124 Å²	124	108.3 Å²	108.3	57%	0.574	58%	0.582	S	S	*	*			trans	-140.6	133.6	-175.9	-64.7	-67.9	0	0	0	112.8	I444	I444-H446 VanDerWaalsContact CG2-O 3.24Å; I444-H446 WeakPolarHBondContact CG2-O 3.34Å
447	Y	34.2	Very low	35.4	Very low	107 Å²	107	110.2 Å²	110.2	42%	0.42	60%	0.6	S	S	.	*			trans	-136.1	136.9	174.7	-125.7	-88.2	0	0	0	108.9	L439 I444 L461	L439-Y447 HydrophobicContact CD2-CD2 4.33Å; L439-Y447 HydrophobicContact CD2-CE2 4.03Å; I444-Y447 HydrophobicContact CG2-CD2 3.99Å; I444-Y447 HydrophobicContact CG2-CE2 4.34Å; Y447-L461 HydrophobicContact CE1-CD2 4.32Å
448	Q	35.1	Very low	34.5	Very low	83 Å²	83	112.5 Å²	112.5	39%	0.388	61%	0.605	S	S	.	*			trans	-105.5	136.1	178	-87.1	176.4	-25.7	0	0	111
449	M	30.8	Very low	33.5	Very low	141 Å²	141	112.4 Å²	112.4	70%	0.695	61%	0.612	S	S	*	*			trans	-126.7	141	164.5	-81.1	-165.7	77.8	0	0	109.5
450	S	32.8	Very low	32.8	Very low	67 Å²	67	117.6 Å²	117.6	47%	0.469	64%	0.635	S	S	.	*			trans	-72.4	134	170.6	170.1	0	0	0	0	110.6	N452	S450-N452 PolarHBondContact O-N 3.42Å
451	A	32.4	Very low	32	Very low	80 Å²	80	116.8 Å²	116.8	66%	0.661	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	0.3	-177	0	0	0	0	0	114.6
452	N	28.5	Very low	31.1	Very low	155 Å²	155	123.5 Å²	123.5	83%	0.829	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	19.4	-174.7	-87.7	-17.5	0	0	0	115.8	S450 R454	S450-N452 PolarHBondContact O-N 3.42Å; N452-R454 PolarHBondContact O-N 2.79Å
453	A	28.6	Very low	30.5	Very low	62 Å²	62	124.3 Å²	124.3	51%	0.512	65%	0.654	S	S	.	*			trans	-98.6	79.4	-179.6	0	0	0	0	0	112.7	S455	A453-S455 PolarHBondContact O-N 3.23Å
454	R	27.6	Very low	30.5	Very low	242 Å²	242	121.3 Å²	121.3	91%	0.913	65%	0.65	S	S	*	*	S	Bend	trans	-75.8	104.6	153.8	-73.2	-176.7	-179.5	178	1.1	106.3	N452	N452-R454 PolarHBondContact O-N 2.79Å
455	S	26.9	Very low	30.9	Very low	125 Å²	125	125.7 Å²	125.7	87%	0.874	66%	0.663	S	S	*	*	S	Bend	trans	74.7	93	-177.9	73.4	0	0	0	0	116.2	A453	A453-S455 PolarHBondContact O-N 3.23Å
456	A	23.9	Very low	31.6	Very low	71 Å²	71	131.2 Å²	131.2	59%	0.587	67%	0.674	S	S	*	*			trans	-143.5	134.7	153.1	0	0	0	0	0	108.3
457	S	24.3	Very low	33.1	Very low	93 Å²	93	127.7 Å²	127.7	65%	0.65	66%	0.656	S	S	*	*			trans	-64.1	146.2	177.3	45.7	0	0	0	0	111.2	D459	S457-D459 PolarHBondContact O-N 2.96Å
458	F	28.3	Very low	34.8	Very low	156 Å²	156	124.4 Å²	124.4	68%	0.684	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-64.6	4.4	-170.4	-153.4	-104.2	0	0	0	115.6	L461	F458-L461 HydrophobicContact CD1-CD1 3.41Å; F458-L461 VanDerWaalsContact CD1-CD1 3.41Å; F458-L461 HydrophobicContact CD2-CD1 3.99Å; F458-L461 HydrophobicContact CE1-CD1 3.18Å; F458-L461 HydrophobicContact CE2-CD1 3.79Å; F458-L461 HydrophobicContact CG-CD1 3.82Å; F458-L461 HydrophobicContact CZ-CD1 3.39Å; F458-L461 WeakPolarHBondContact O-CD1 3.49Å
459	D	28.5	Very low	36.5	Very low	157 Å²	157	125.4 Å²	125.4	84%	0.84	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-86.8	-2	-177.9	-76.7	-27.6	0	0	0	114.5	S457	S457-D459 PolarHBondContact O-N 2.96Å
460	E	27.2	Very low	38.6	Very low	163 Å²	163	119.5 Å²	119.5	76%	0.762	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-97.2	21.1	174	-73.7	-169.2	154.6	0	0	114.4	R462	E460-R462 PolarHBondContact O-N 3.42Å
461	L	26.1	Very low	41	Very low	87 Å²	87	116.4 Å²	116.4	46%	0.455	61%	0.612	S	S	.	*			trans	-73.3	89.4	174.3	-78.6	163.1	0	0	0	111.2	Y447 F458	Y447-L461 HydrophobicContact CE1-CD2 4.32Å; F458-L461 HydrophobicContact CD1-CD1 3.41Å; F458-L461 VanDerWaalsContact CD1-CD1 3.41Å; F458-L461 HydrophobicContact CD2-CD1 3.99Å; F458-L461 HydrophobicContact CE1-CD1 3.18Å; F458-L461 HydrophobicContact CE2-CD1 3.79Å; F458-L461 HydrophobicContact CG-CD1 3.82Å; F458-L461 HydrophobicContact CZ-CD1 3.39Å; F458-L461 WeakPolarHBondContact O-CD1 3.49Å
462	R	28.9	Very low	43.4	Very low	222 Å²	222	115.7 Å²	115.7	84%	0.838	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-67.4	132.1	171.9	-75	-174.9	-179.9	-175.9	1.8	111	E460	E460-R462 PolarHBondContact O-N 3.42Å
463	T	28.6	Very low	46.2	Very low	118 Å²	118	109.3 Å²	109.3	72%	0.724	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-59.5	137	173.5	48.7	0	0	0	0	111.3	Y465	T463-Y465 PolarHBondContact O-N 3.4Å
464	P	41	Very low	49.2	Very low	117 Å²	117	106.4 Å²	106.4	76%	0.76	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-60.6	130	172.8	25.8	-31.2	0	0	0	108.8	Y466	P464-Y466 PolarHBondContact O-N 3.17Å
465	Y	45.2	Very low	52.1	Low	162 Å²	162	95.1 Å²	95.1	64%	0.635	50%	0.498	S	S	*	.			trans	-60.3	113.4	172.6	-90.6	-88.4	0	0	0	108.2	T463 Y467	T463-Y465 PolarHBondContact O-N 3.4Å; Y465-Y467 WeakPolarHBondContact O-CD1 3.09Å; Y465-Y467 PolarHBondContact O-N 3.09Å; Y465-Y467 VanDerWaalsContact O-N 3.08Å
466	Y	49.1	Very low	55.1	Low	223 Å²	223	90.3 Å²	90.3	88%	0.875	46%	0.462	S	S	*	.			trans	-74	97.4	176.4	-150	-94.2	0	0	0	107.8	P464	P464-Y466 PolarHBondContact O-N 3.17Å
467	Y	67.8	Low	58.4	Low	51 Å²	51	87 Å²	87	20%	0.2	43%	0.434	C	S	.	.			trans	-93.7	148.3	169.8	57.7	-91.8	0	0	0	110.1	Y465 L471 D472 I475 F507 A509	Y465-Y467 WeakPolarHBondContact O-CD1 3.09Å; Y465-Y467 PolarHBondContact O-N 3.09Å; Y465-Y467 VanDerWaalsContact O-N 3.08Å; Y467-L471 HydrophobicContact CD2-CB 3.9Å; Y467-D472 HydrophobicContact CE2-CB 3.9Å; Y467-D472 PolarHBondContact OH-OD1 3.4Å; Y467-I475 HydrophobicContact CD2-CD1 4.35Å; Y467-I475 HydrophobicContact CE2-CD1 4Å; Y467-F507 HydrophobicContact CD1-CB 4.11Å; Y467-F507 AromaticContact CD1-CD1 3.95Å; Y467-F507 HydrophobicContact CD1-CD1 3.95Å; Y467-F507 HydrophobicContact CD1-CG 4.37Å; Y467-F507 HydrophobicContact CE1-CB 4.11Å; Y467-F507 HydrophobicContact CG-CD1 4.16Å; Y467-A509 HydrophobicContact CE1-CB 4.48Å; Y467-A509 WeakPolarHBondContact OH-CB 3.47Å
468	P	69.2	Low	61.6	Low	38 Å²	38	82.6 Å²	82.6	25%	0.247	40%	0.403	C	S	.	.			trans	-51.7	140.4	-179.8	-23.4	23.2	0	0	0	112.6	Y387 S470 L471	Y387-P468 HydrophobicContact CE1-CG 3.76Å; Y387-P468 VanDerWaalsContact OH-CG 3.31Å; Y387-P468 WeakPolarHBondContact OH-CG 3.41Å; P468-S470 WeakPolarHBondContact CB-OG 3.43Å; P468-S470 PolarHBondContact O-N 2.97Å; P468-L471 HydrophobicContact CB-CD1 3.77Å; P468-L471 HydrophobicContact CG-CD1 3.6Å; P468-L471 WeakPolarHBondContact O-CB 3.36Å; P468-L471 PolarHBondContact O-N 3.47Å
469	P	70.8	Confident	64.5	Low	103 Å²	103	75.2 Å²	75.2	67%	0.669	37%	0.371	S	S	*	.	H	α-helix	trans	-56.6	-26.2	177.6	-24.1	32.1	0	0	0	113.7	L471 D472	P469-L471 VanDerWaalsContact C-N 3.28Å; P469-L471 PolarHBondContact O-N 3.33Å; P469-D472 WeakPolarHBondContact O-CB 3.3Å; P469-D472 PolarHBondContact O-N 3.28Å
470	S	74.6	Confident	67.4	Low	17 Å²	17	67.8 Å²	67.8	12%	0.119	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-30.7	174.5	50	0	0	0	0	112.9	P468	P468-S470 WeakPolarHBondContact CB-OG 3.43Å; P468-S470 PolarHBondContact O-N 2.97Å
471	L	83.7	Confident	70.5	Confident	2 Å²	2	60 Å²	60	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-76.4	-28.2	175	-84.3	98.8	0	0	0	113.2	I379 T381 Y387 Y467 P468 P469 S473 I474 I475 F507	I379-L471 HydrophobicContact CD1-CD2 3.66Å; I379-L471 HydrophobicContact CG2-CD2 4.32Å; I379-L471 HydrophobicContact CG2-CG 4.42Å; T381-L471 HydrophobicContact CG2-CD1 4.34Å; Y387-L471 HydrophobicContact CD1-CD1 4.41Å; Y387-L471 HydrophobicContact CD2-CD1 3.85Å; Y387-L471 HydrophobicContact CE1-CD1 4.27Å; Y387-L471 HydrophobicContact CE2-CD1 3.68Å; Y387-L471 HydrophobicContact CG-CD1 4.22Å; Y467-L471 HydrophobicContact CD2-CB 3.9Å; P468-L471 HydrophobicContact CB-CD1 3.77Å; P468-L471 HydrophobicContact CG-CD1 3.6Å; P468-L471 WeakPolarHBondContact O-CB 3.36Å; P468-L471 PolarHBondContact O-N 3.47Å; P469-L471 VanDerWaalsContact C-N 3.28Å; P469-L471 PolarHBondContact O-N 3.33Å; L471-S473 VanDerWaalsContact C-N 3.29Å; L471-S473 PolarHBondContact O-N 2.66Å; L471-I474 WeakPolarHBondContact O-CB 3.31Å; L471-I474 PolarHBondContact O-N 2.6Å; L471-I475 WeakPolarHBondContact O-CG1 3.21Å; L471-I475 PolarHBondContact O-N 3.44Å; L471-F507 HydrophobicContact CD2-CZ 4.37Å
472	D	83.5	Confident	73.5	Confident	65 Å²	65	56 Å²	56	35%	0.348	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-43.6	-178.7	-168.6	41.4	0	0	0	111.2	Y467 P469 I474 I475 Q476	Y467-D472 HydrophobicContact CE2-CB 3.9Å; Y467-D472 PolarHBondContact OH-OD1 3.4Å; P469-D472 WeakPolarHBondContact O-CB 3.3Å; P469-D472 PolarHBondContact O-N 3.28Å; D472-I474 VanDerWaalsContact C-N 3.33Å; D472-I474 PolarHBondContact O-N 3.25Å; D472-I475 PolarHBondContact O-N 2.9Å; D472-Q476 WeakPolarHBondContact O-CB 3.31Å; D472-Q476 PolarHBondContact O-N 3.22Å
473	S	86.6	Confident	76.2	Confident	21 Å²	21	48.7 Å²	48.7	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-37.1	174.3	-71.8	0	0	0	0	112.7	L471 I477 K626 H636	L471-S473 VanDerWaalsContact C-N 3.29Å; L471-S473 PolarHBondContact O-N 2.66Å; S473-I477 VanDerWaalsContact O-CD1 3.22Å; S473-I477 WeakPolarHBondContact O-CD1 3.44Å; S473-I477 WeakPolarHBondContact O-CG1 3.31Å; S473-I477 PolarHBondContact O-N 3.17Å; S473-K626 PolarHBondContact OG-NZ 3.26Å; S473-K626 VanDerWaalsContact OG-NZ 3.14Å; S473-H636 WeakPolarHBondContact CB-ND1 2.87Å
474	I	90.7	Very high	78.8	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-46.5	178.7	-62.7	174.3	0	0	0	110.4	I379 T381 L471 D472 I477 G478 L624 H636 V639	I379-I474 HydrophobicContact CG2-CD1 3.63Å; I379-I474 HydrophobicContact CG2-CG2 4.35Å; T381-I474 HydrophobicContact CG2-CD1 4.29Å; L471-I474 WeakPolarHBondContact O-CB 3.31Å; L471-I474 PolarHBondContact O-N 2.6Å; D472-I474 VanDerWaalsContact C-N 3.33Å; D472-I474 PolarHBondContact O-N 3.25Å; I474-I477 PolarHBondContact O-N 2.94Å; I474-G478 PolarHBondContact O-N 2.84Å; I474-L624 HydrophobicContact CG2-CD1 4.18Å; I474-H636 HydrophobicContact CG1-CB 4.24Å; I474-V639 HydrophobicContact CG2-CG2 3.8Å
475	I	89.2	Confident	80.7	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-46.2	177.7	-65.5	170.3	0	0	0	109.8	Y467 L471 D472 I477 G478 C479 L503 T504 F507 A509	Y467-I475 HydrophobicContact CD2-CD1 4.35Å; Y467-I475 HydrophobicContact CE2-CD1 4Å; L471-I475 WeakPolarHBondContact O-CG1 3.21Å; L471-I475 PolarHBondContact O-N 3.44Å; D472-I475 PolarHBondContact O-N 2.9Å; I475-I477 PolarHBondContact O-N 3.34Å; I475-G478 PolarHBondContact O-N 3.02Å; I475-C479 WeakPolarHBondContact O-CB 3.47Å; I475-C479 PolarHBondContact O-N 3.44Å; I475-L503 HydrophobicContact CG1-CD2 4.15Å; I475-L503 HydrophobicContact CG1-CG 4.43Å; I475-T504 HydrophobicContact CG2-CG2 3.89Å; I475-T504 WeakPolarHBondContact CG2-OG1 3.4Å; I475-F507 HydrophobicContact CD1-CB 4.08Å; I475-F507 HydrophobicContact CD1-CD2 3.99Å; I475-F507 HydrophobicContact CD1-CG 4.12Å; I475-A509 HydrophobicContact CD1-CB 4.48Å; I475-A509 HydrophobicContact CG2-CB 3.87Å
476	Q	90.4	Very high	82.3	Confident	24 Å²	24	34.9 Å²	34.9	11%	0.112	18%	0.18	C	C	.	.	H	α-helix	trans	-55.2	-51.2	175.9	178.1	-176.1	61.2	0	0	111.9	D472 G478 C479 I480 E512 Y516 F549	D472-Q476 WeakPolarHBondContact O-CB 3.31Å; D472-Q476 PolarHBondContact O-N 3.22Å; Q476-G478 VanDerWaalsContact C-N 3.32Å; Q476-G478 PolarHBondContact O-N 2.9Å; Q476-C479 PolarHBondContact O-N 2.9Å; Q476-I480 HydrophobicContact CG-CD1 3.6Å; Q476-I480 HydrophobicContact CG-CG1 4.44Å; Q476-I480 WeakPolarHBondContact O-CG1 3.47Å; Q476-I480 PolarHBondContact O-N 3.27Å; Q476-E512 WeakPolarHBondContact CG-OE2 3.43Å; Q476-E512 PolarHBondContact NE2-OE2 3.12Å; Q476-Y516 PolarHBondContact NE2-OH 2.92Å; Q476-F549 HydrophobicContact CG-CE1 4.28Å
477	I	92.5	Very high	83.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-44.2	178.7	-60.9	155.9	0	0	0	110.2	S473 I474 I475 C479 I480 C481 F549 L624 K626 H636	S473-I477 VanDerWaalsContact O-CD1 3.22Å; S473-I477 WeakPolarHBondContact O-CD1 3.44Å; S473-I477 WeakPolarHBondContact O-CG1 3.31Å; S473-I477 PolarHBondContact O-N 3.17Å; I474-I477 PolarHBondContact O-N 2.94Å; I475-I477 PolarHBondContact O-N 3.34Å; I477-C479 VanDerWaalsContact C-N 3.27Å; I477-C479 PolarHBondContact O-N 3.44Å; I477-I480 PolarHBondContact O-N 2.91Å; I477-C481 VanDerWaalsContact O-CB 3.29Å; I477-C481 WeakPolarHBondContact O-CB 3.31Å; I477-C481 PolarHBondContact O-N 3.48Å; I477-F549 HydrophobicContact CB-CD1 4.36Å; I477-F549 HydrophobicContact CG1-CD1 3.89Å; I477-F549 HydrophobicContact CG1-CE1 4.47Å; I477-F549 HydrophobicContact CG2-CB 4.35Å; I477-F549 HydrophobicContact CG2-CD1 4.47Å; I477-L624 HydrophobicContact CB-CB 4.29Å; I477-L624 HydrophobicContact CB-CD2 3.96Å; I477-L624 HydrophobicContact CD1-CB 4.2Å; I477-L624 HydrophobicContact CG2-CB 3.95Å; I477-L624 HydrophobicContact CG2-CD2 3.83Å; I477-L624 HydrophobicContact CG2-CG 4.37Å; I477-K626 HydrophobicContact CD1-CB 4.16Å; I477-K626 HydrophobicContact CD1-CD 4.49Å; I477-K626 HydrophobicContact CG1-CB 4.13Å; I477-H636 HydrophobicContact CD1-CB 3.73Å
478	G	90.9	Very high	83.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-26.6	179.3	0	0	0	0	0	114.3	I474 I475 Q476 N482	I474-G478 PolarHBondContact O-N 2.84Å; I475-G478 PolarHBondContact O-N 3.02Å; Q476-G478 VanDerWaalsContact C-N 3.32Å; Q476-G478 PolarHBondContact O-N 2.9Å; G478-N482 VanDerWaalsContact O-CB 3.31Å; G478-N482 WeakPolarHBondContact O-CB 3.48Å; G478-N482 PolarHBondContact O-ND2 3.3Å
479	C	89.4	Confident	83.4	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-83.7	-47.4	175.1	-126.2	0	0	0	0	111.5	I475 Q476 I477 N482 T504 D511 R513	I475-C479 WeakPolarHBondContact O-CB 3.47Å; I475-C479 PolarHBondContact O-N 3.44Å; Q476-C479 PolarHBondContact O-N 2.9Å; I477-C479 VanDerWaalsContact C-N 3.27Å; I477-C479 PolarHBondContact O-N 3.44Å; C479-N482 VanDerWaalsContact O-CB 3.22Å; C479-N482 WeakPolarHBondContact O-CB 3.34Å; C479-T504 PolarHBondContact SG-OG1 2.88Å; C479-D511 PolarHBondContact SG-OD1 2.7Å; C479-R513 WeakPolarHBondContact O-CD 3.16Å; C479-R513 WeakPolarHBondContact O-CG 3.08Å
480	I	90.3	Very high	83.2	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-72.5	-42.5	-175.4	-65.4	171.1	0	0	0	111.6	Q476 I477 N482 Y516 R518 V533 F549	Q476-I480 HydrophobicContact CG-CD1 3.6Å; Q476-I480 HydrophobicContact CG-CG1 4.44Å; Q476-I480 WeakPolarHBondContact O-CG1 3.47Å; Q476-I480 PolarHBondContact O-N 3.27Å; I477-I480 PolarHBondContact O-N 2.91Å; I480-N482 VanDerWaalsContact C-N 3.28Å; I480-N482 PolarHBondContact O-N 3.45Å; I480-N482 VanDerWaalsContact O-N 3.14Å; I480-Y516 HydrophobicContact CD1-CD2 3.44Å; I480-Y516 VanDerWaalsContact CD1-CD2 3.44Å; I480-Y516 HydrophobicContact CD1-CE2 3.37Å; I480-Y516 HydrophobicContact CD1-CG 4.06Å; I480-Y516 HydrophobicContact CG1-CD2 4.13Å; I480-Y516 HydrophobicContact CG1-CE2 4.45Å; I480-R518 PolarHBondContact O-NE 3.36Å; I480-R518 PolarHBondContact O-NH2 3.15Å; I480-V533 HydrophobicContact CG2-CG2 4.14Å; I480-F549 HydrophobicContact CB-CD1 4.44Å; I480-F549 HydrophobicContact CB-CD2 4.45Å; I480-F549 HydrophobicContact CB-CG 4.32Å; I480-F549 HydrophobicContact CD1-CD1 4.32Å; I480-F549 HydrophobicContact CD1-CE1 3.75Å; I480-F549 HydrophobicContact CD1-CE2 4.03Å; I480-F549 HydrophobicContact CD1-CZ 3.58Å; I480-F549 HydrophobicContact CG2-CB 4.43Å; I480-F549 HydrophobicContact CG2-CD1 4.48Å; I480-F549 HydrophobicContact CG2-CD2 3.66Å; I480-F549 HydrophobicContact CG2-CE2 3.96Å; I480-F549 HydrophobicContact CG2-CG 3.94Å
481	C	91.8	Very high	83.1	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-88	65.1	177.7	-166.3	0	0	0	0	109.5	I477 V533 F549 K551	I477-C481 VanDerWaalsContact O-CB 3.29Å; I477-C481 WeakPolarHBondContact O-CB 3.31Å; I477-C481 PolarHBondContact O-N 3.48Å; C481-V533 HydrophobicContact CB-CG2 3.79Å; C481-F549 HydrophobicContact CB-CB 4.05Å; C481-F549 PolarHBondContact SG-O 3.49Å; C481-K551 VanDerWaalsContact O-CD 3.29Å; C481-K551 WeakPolarHBondContact O-CD 3.49Å; C481-K551 WeakPolarHBondContact O-CE 3.47Å; C481-K551 PolarHBondContact O-NZ 2.87Å
482	N	89.5	Confident	82.6	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.231	C	C	.	.			trans	-156.9	125.6	-170	-162.4	-46.6	0	0	0	113.5	G478 C479 I480 A484 E497 L501 R518	G478-N482 VanDerWaalsContact O-CB 3.31Å; G478-N482 WeakPolarHBondContact O-CB 3.48Å; G478-N482 PolarHBondContact O-ND2 3.3Å; C479-N482 VanDerWaalsContact O-CB 3.22Å; C479-N482 WeakPolarHBondContact O-CB 3.34Å; I480-N482 VanDerWaalsContact C-N 3.28Å; I480-N482 PolarHBondContact O-N 3.45Å; I480-N482 VanDerWaalsContact O-N 3.14Å; N482-A484 WeakPolarHBondContact OD1-CB 3.45Å; N482-A484 PolarHBondContact OD1-N 2.69Å; N482-E497 PolarHBondContact ND2-O 3.4Å; N482-E497 WeakPolarHBondContact OD1-CB 3.38Å; N482-L501 VanDerWaalsContact OD1-CD1 3.27Å; N482-L501 WeakPolarHBondContact OD1-CD1 3.47Å; N482-R518 PolarHBondContact O-NH2 2.93Å
483	N	85.2	Confident	82	Confident	70 Å²	70	44.2 Å²	44.2	37%	0.374	22%	0.223	S	C	.	.			trans	-97.3	-8.6	-179.9	-66.8	-10.4	0	0	0	113.9	E497 R518 E521 M531	N483-E497 WeakPolarHBondContact CB-OE2 3.49Å; N483-E497 PolarHBondContact N-OE1 2.97Å; N483-E497 PolarHBondContact N-OE2 2.99Å; N483-R518 PolarHBondContact OD1-NH1 2.79Å; N483-E521 PolarHBondContact ND2-OE1 3.41Å; N483-E521 PolarHBondContact OD1-OE1 3.38Å; N483-E521 PolarHBondContact OD1-OE2 3.47Å; N483-M531 VanDerWaalsContact OD1-CE 3.28Å; N483-M531 WeakPolarHBondContact OD1-CE 3.41Å
484	A	83.7	Confident	81.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.			trans	-72.1	150.8	-179.5	0	0	0	0	0	112.2	N482 L491 F492 E497 L501 R513	N482-A484 WeakPolarHBondContact OD1-CB 3.45Å; N482-A484 PolarHBondContact OD1-N 2.69Å; A484-L491 HydrophobicContact CB-CD1 3.84Å; A484-F492 CarbonylContact C-O 3.29Å; A484-F492 WeakPolarHBondContact CA-O 3.47Å; A484-E497 HydrophobicContact CB-CB 3.65Å; A484-E497 PolarHBondContact N-OE2 3.33Å; A484-L501 HydrophobicContact CB-CD1 3.78Å; A484-L501 WeakPolarHBondContact O-CD1 3.22Å; A484-R513 PolarHBondContact O-NH1 3.36Å
485	T	81.3	Confident	80.9	Confident	54 Å²	54	45.5 Å²	45.5	33%	0.331	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.2	170.7	52.8	0	0	0	0	108.6	F492	T485-F492 PolarHBondContact N-O 3.44Å; T485-F492 PolarHBondContact O-N 3.27Å
486	I	77.6	Confident	80.7	Confident	53 Å²	53	45.8 Å²	45.8	27%	0.272	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.6	175.7	-58.3	174.6	0	0	0	105.9	Q490 L491 L501 R502	I486-Q490 WeakPolarHBondContact CA-O 3.37Å; I486-L491 HydrophobicContact CG1-CD1 4.01Å; I486-L501 HydrophobicContact CD1-CB 4.07Å; I486-R502 HydrophobicContact CD1-CG 3.76Å
487	R	74.2	Confident	80.5	Confident	176 Å²	176	45 Å²	45	66%	0.664	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.2	173.5	-68.4	-175.4	-177	178.8	2.4	108.3	N489 Q490 F492	R487-N489 PolarHBondContact O-N 3.13Å; R487-Q490 PolarHBondContact N-O 2.93Å; R487-Q490 WeakPolarHBondContact O-CA 3.41Å; R487-Q490 WeakPolarHBondContact O-CB 3.43Å; R487-Q490 PolarHBondContact O-N 2.92Å; R487-F492 HydrophobicContact CB-CD2 4.26Å; R487-F492 HydrophobicContact CB-CE2 3.92Å
488	D	68	Low	80.2	Confident	166 Å²	166	45 Å²	45	89%	0.888	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	42.3	179.1	-54.4	-36.4	0	0	0	113.8	Q490	D488-Q490 PolarHBondContact O-N 3.23Å
489	N	67	Low	80.1	Confident	101 Å²	101	45.1 Å²	45.1	54%	0.54	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	2.1	-173.4	-96.2	0	0	0	0	116.4	T398 R487	T398-N489 PolarHBondContact OG1-OD1 2.95Å; R487-N489 PolarHBondContact O-N 3.13Å
490	Q	66.3	Low	80.1	Confident	128 Å²	128	45.2 Å²	45.2	60%	0.598	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.1	171.9	-122.6	177.9	0.8	0	0	110.2	I486 R487 D488 F492	I486-Q490 WeakPolarHBondContact CA-O 3.37Å; R487-Q490 PolarHBondContact N-O 2.93Å; R487-Q490 WeakPolarHBondContact O-CA 3.41Å; R487-Q490 WeakPolarHBondContact O-CB 3.43Å; R487-Q490 PolarHBondContact O-N 2.92Å; D488-Q490 PolarHBondContact O-N 3.23Å; Q490-F492 HydrophobicContact CB-CE2 3.82Å; Q490-F492 HydrophobicContact CB-CZ 4.17Å; Q490-F492 WeakPolarHBondContact O-CD2 3.42Å
491	L	73.8	Confident	80	Confident	51 Å²	51	45.8 Å²	45.8	27%	0.267	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.5	175.3	175.7	63.8	0	0	0	109.6	A484 I486	A484-L491 HydrophobicContact CB-CD1 3.84Å; I486-L491 HydrophobicContact CG1-CD1 4.01Å
492	F	71.6	Confident	79.7	Confident	55 Å²	55	47.4 Å²	47.4	24%	0.241	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	105.4	170	-62.9	-85.9	0	0	0	108.4	V153 A484 T485 R487 Q490	V153-F492 HydrophobicContact CG1-CD1 3.66Å; V153-F492 HydrophobicContact CG1-CE1 4.26Å; A484-F492 CarbonylContact C-O 3.29Å; A484-F492 WeakPolarHBondContact CA-O 3.47Å; T485-F492 PolarHBondContact N-O 3.44Å; T485-F492 PolarHBondContact O-N 3.27Å; R487-F492 HydrophobicContact CB-CD2 4.26Å; R487-F492 HydrophobicContact CB-CE2 3.92Å; Q490-F492 HydrophobicContact CB-CE2 3.82Å; Q490-F492 HydrophobicContact CB-CZ 4.17Å; Q490-F492 WeakPolarHBondContact O-CD2 3.42Å
493	G	72.7	Confident	79.5	Confident	17 Å²	17	47.6 Å²	47.6	18%	0.175	24%	0.239	C	C	.	.	S	Bend	trans	132.2	-170.9	-175	0	0	0	0	0	112
494	Q	74.6	Confident	79.4	Confident	21 Å²	21	44.5 Å²	44.5	10%	0.098	22%	0.222	C	C	.	.			trans	-71.8	142.2	-177.5	-69.4	-171.4	-32.3	0	0	111.7	T496 E497 G498	Q494-T496 VanDerWaalsContact C-N 3.26Å; Q494-T496 PolarHBondContact O-N 3.39Å; Q494-E497 HydrophobicContact CB-CB 4.26Å; Q494-E497 HydrophobicContact CB-CG 3.99Å; Q494-E497 WeakPolarHBondContact O-CB 3.41Å; Q494-E497 PolarHBondContact O-N 2.74Å; Q494-G498 PolarHBondContact O-N 3.31Å
495	P	79.4	Confident	79.1	Confident	29 Å²	29	46.4 Å²	46.4	19%	0.188	24%	0.238	C	C	.	.	H	α-helix	trans	-52.4	-43.4	176.5	-28.4	35.1	0	0	0	113.4	M374 E497 G498 A499	M374-P495 HydrophobicContact CB-CB 3.92Å; M374-P495 HydrophobicContact CG-CB 3.83Å; P495-E497 VanDerWaalsContact C-N 3.28Å; P495-E497 PolarHBondContact O-N 3.4Å; P495-G498 PolarHBondContact O-N 3.49Å; P495-A499 PolarHBondContact O-N 2.86Å
496	T	84.2	Confident	78.8	Confident	11 Å²	11	45.9 Å²	45.9	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-39	177.2	-54.6	0	0	0	0	112.6	Q494 A499 L500 R620 L622 L641	Q494-T496 VanDerWaalsContact C-N 3.26Å; Q494-T496 PolarHBondContact O-N 3.39Å; T496-A499 WeakPolarHBondContact O-CB 3.5Å; T496-L500 PolarHBondContact O-N 2.94Å; T496-R620 PolarHBondContact OG1-NH1 2.72Å; T496-L622 HydrophobicContact CG2-CD1 3.51Å; T496-L622 HydrophobicContact CG2-CG 4.48Å; T496-L641 HydrophobicContact CG2-CD2 4.05Å
497	E	86.7	Confident	78.8	Confident	9 Å²	9	45.5 Å²	45.5	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-75.4	-41.5	178.2	-67.6	-158.4	130.2	0	0	111.9	N482 N483 A484 Q494 P495 A499 L500 L501 K551	N482-E497 PolarHBondContact ND2-O 3.4Å; N482-E497 WeakPolarHBondContact OD1-CB 3.38Å; N483-E497 WeakPolarHBondContact CB-OE2 3.49Å; N483-E497 PolarHBondContact N-OE1 2.97Å; N483-E497 PolarHBondContact N-OE2 2.99Å; A484-E497 HydrophobicContact CB-CB 3.65Å; A484-E497 PolarHBondContact N-OE2 3.33Å; Q494-E497 HydrophobicContact CB-CB 4.26Å; Q494-E497 HydrophobicContact CB-CG 3.99Å; Q494-E497 WeakPolarHBondContact O-CB 3.41Å; Q494-E497 PolarHBondContact O-N 2.74Å; P495-E497 VanDerWaalsContact C-N 3.28Å; P495-E497 PolarHBondContact O-N 3.4Å; E497-A499 PolarHBondContact O-N 3.35Å; E497-L500 PolarHBondContact O-N 3.22Å; E497-L500 VanDerWaalsContact O-N 3.16Å; E497-L501 PolarHBondContact O-N 3.41Å; E497-L501 VanDerWaalsContact O-N 3.1Å; E497-K551 VanDerWaalsContact CG-NZ 3.31Å; E497-K551 IonicContact OE1-NZ 2.71Å; E497-K551 PolarHBondContact OE1-NZ 3.04Å
498	G	86.4	Confident	78.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.8	-38.4	172.2	0	0	0	0	0	112.9	Q494 P495 L500 L501 R502	Q494-G498 PolarHBondContact O-N 3.31Å; P495-G498 PolarHBondContact O-N 3.49Å; G498-L500 PolarHBondContact O-N 3.27Å; G498-L501 PolarHBondContact O-N 3.36Å; G498-R502 PolarHBondContact O-N 2.8Å
499	A	88	Confident	78.8	Confident	2 Å²	2	33.3 Å²	33.3	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-43	176.3	0	0	0	0	0	112.5	M374 V376 P495 T496 E497 L501 R502 L503 L641	M374-A499 HydrophobicContact CB-CB 4.14Å; M374-A499 WeakPolarHBondContact O-CB 3.5Å; V376-A499 HydrophobicContact CG2-CB 4.26Å; P495-A499 PolarHBondContact O-N 2.86Å; T496-A499 WeakPolarHBondContact O-CB 3.5Å; E497-A499 PolarHBondContact O-N 3.35Å; A499-L501 VanDerWaalsContact C-N 3.35Å; A499-R502 PolarHBondContact O-N 3Å; A499-L503 PolarHBondContact O-N 2.79Å; A499-L641 HydrophobicContact CB-CD2 3.52Å
500	L	90.1	Very high	79.1	Confident	3 Å²	3	31 Å²	31	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-35.4	177.4	-66.4	172.4	0	0	0	111.7	V376 T496 E497 G498 L503 T504 K551 L622 V639	V376-L500 HydrophobicContact CG2-CD2 4.19Å; T496-L500 PolarHBondContact O-N 2.94Å; E497-L500 PolarHBondContact O-N 3.22Å; E497-L500 VanDerWaalsContact O-N 3.16Å; G498-L500 PolarHBondContact O-N 3.27Å; L500-L503 WeakPolarHBondContact O-CB 2.98Å; L500-L503 PolarHBondContact O-N 2.78Å; L500-T504 PolarHBondContact O-N 3.1Å; L500-T504 PolarHBondContact O-OG1 3.23Å; L500-K551 HydrophobicContact CD1-CD 3.99Å; L500-L622 HydrophobicContact CD1-CD1 4.4Å; L500-V639 HydrophobicContact CD2-CG1 4.09Å
501	L	87.7	Confident	79.8	Confident	14 Å²	14	27.9 Å²	27.9	7%	0.073	15%	0.15	C	C	.	.	H	α-helix	trans	-69.3	-39.9	174	-88.9	156.4	0	0	0	112.9	N482 A484 I486 E497 G498 A499 L503 T504 A505 R513	N482-L501 VanDerWaalsContact OD1-CD1 3.27Å; N482-L501 WeakPolarHBondContact OD1-CD1 3.47Å; A484-L501 HydrophobicContact CB-CD1 3.78Å; A484-L501 WeakPolarHBondContact O-CD1 3.22Å; I486-L501 HydrophobicContact CD1-CB 4.07Å; E497-L501 PolarHBondContact O-N 3.41Å; E497-L501 VanDerWaalsContact O-N 3.1Å; G498-L501 PolarHBondContact O-N 3.36Å; A499-L501 VanDerWaalsContact C-N 3.35Å; L501-L503 VanDerWaalsContact C-N 3.26Å; L501-L503 PolarHBondContact O-N 3.48Å; L501-T504 WeakPolarHBondContact O-CB 3.41Å; L501-T504 PolarHBondContact O-N 3.39Å; L501-A505 PolarHBondContact O-N 3.38Å; L501-R513 VanDerWaalsContact CD2-NH2 3.28Å
502	R	85.4	Confident	80.1	Confident	35 Å²	35	26.9 Å²	26.9	13%	0.132	14%	0.144	C	C	.	.	H	α-helix	trans	-63.6	-34.3	174.3	-82.7	-169.9	179.6	118	-3.8	112.3	E373 I486 G498 A499 T504 A505 Q506	E373-R502 VanDerWaalsContact CD-NH1 3.33Å; E373-R502 IonicContact OE1-CZ 3.91Å; E373-R502 IonicContact OE1-NE 3.5Å; E373-R502 PolarHBondContact OE1-NE 2.62Å; E373-R502 IonicContact OE1-NH1 3.55Å; E373-R502 PolarHBondContact OE1-NH1 3.09Å; E373-R502 IonicContact OE1-NH2 2.84Å; E373-R502 PolarHBondContact OE1-NH2 3.47Å; E373-R502 VanDerWaalsContact OE1-NH2 3.1Å; I486-R502 HydrophobicContact CD1-CG 3.76Å; G498-R502 PolarHBondContact O-N 2.8Å; A499-R502 PolarHBondContact O-N 3Å; R502-T504 VanDerWaalsContact C-N 3.28Å; R502-T504 PolarHBondContact O-N 2.88Å; R502-A505 PolarHBondContact O-N 3.27Å; R502-Q506 WeakPolarHBondContact O-CB 3.37Å; R502-Q506 PolarHBondContact O-N 3.21Å
503	L	86	Confident	80.7	Confident	5 Å²	5	27.3 Å²	27.3	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-45.4	174.3	-176.4	69.6	0	0	0	111.3	V376 I379 I389 I475 A499 L500 L501 A505 Q506 F507	V376-L503 HydrophobicContact CB-CD1 4.01Å; V376-L503 HydrophobicContact CG1-CD1 3.89Å; V376-L503 HydrophobicContact CG1-CD2 4.25Å; V376-L503 HydrophobicContact CG2-CB 4.27Å; V376-L503 HydrophobicContact CG2-CD2 4.36Å; I379-L503 HydrophobicContact CD1-CD1 4.09Å; I379-L503 HydrophobicContact CD1-CD2 3.83Å; I389-L503 HydrophobicContact CD1-CD1 3.48Å; I389-L503 VanDerWaalsContact CD1-CD1 3.48Å; I475-L503 HydrophobicContact CG1-CD2 4.15Å; I475-L503 HydrophobicContact CG1-CG 4.43Å; A499-L503 PolarHBondContact O-N 2.79Å; L500-L503 WeakPolarHBondContact O-CB 2.98Å; L500-L503 PolarHBondContact O-N 2.78Å; L501-L503 VanDerWaalsContact C-N 3.26Å; L501-L503 PolarHBondContact O-N 3.48Å; L503-A505 VanDerWaalsContact C-N 3.35Å; L503-A505 PolarHBondContact O-N 3.4Å; L503-Q506 PolarHBondContact O-N 3.49Å; L503-F507 HydrophobicContact CD1-CD2 3.81Å; L503-F507 HydrophobicContact CD1-CE2 3.56Å; L503-F507 HydrophobicContact CG-CD2 4.17Å; L503-F507 HydrophobicContact CG-CE2 4.33Å; L503-F507 WeakPolarHBondContact O-CD2 3.31Å; L503-F507 PolarHBondContact O-N 2.99Å; L503-F507 VanDerWaalsContact O-N 3.11Å
504	T	82.8	Confident	81	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-57.9	-47.3	176.2	-48.4	0	0	0	0	111.2	I475 C479 L500 L501 R502 Q506 F507 H508 A509	I475-T504 HydrophobicContact CG2-CG2 3.89Å; I475-T504 WeakPolarHBondContact CG2-OG1 3.4Å; C479-T504 PolarHBondContact SG-OG1 2.88Å; L500-T504 PolarHBondContact O-N 3.1Å; L500-T504 PolarHBondContact O-OG1 3.23Å; L501-T504 WeakPolarHBondContact O-CB 3.41Å; L501-T504 PolarHBondContact O-N 3.39Å; R502-T504 VanDerWaalsContact C-N 3.28Å; R502-T504 PolarHBondContact O-N 2.88Å; T504-Q506 VanDerWaalsContact C-N 3.35Å; T504-Q506 PolarHBondContact O-N 3.36Å; T504-F507 PolarHBondContact O-N 2.95Å; T504-H508 PolarHBondContact O-N 2.88Å; T504-A509 HydrophobicContact CG2-CB 3.78Å; T504-A509 WeakPolarHBondContact CG2-O 3.47Å; T504-A509 PolarHBondContact O-N 3.08Å
505	A	77.4	Confident	81.4	Confident	40 Å²	40	32.3 Å²	32.3	33%	0.331	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-38.8	177.3	0	0	0	0	0	112.5	L501 R502 L503 F507 H508	L501-A505 PolarHBondContact O-N 3.38Å; R502-A505 PolarHBondContact O-N 3.27Å; L503-A505 VanDerWaalsContact C-N 3.35Å; L503-A505 PolarHBondContact O-N 3.4Å; A505-F507 PolarHBondContact O-N 2.88Å; A505-H508 PolarHBondContact O-N 2.91Å; A505-H508 VanDerWaalsContact O-N 3.09Å
506	Q	74.9	Confident	81.8	Confident	43 Å²	43	32.3 Å²	32.3	20%	0.201	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-37.6	-179.2	-174.9	171.9	11.6	0	0	112.8	I389 P390 R502 L503 T504 H508	I389-Q506 VanDerWaalsContact CG2-NE2 3.3Å; P390-Q506 PolarHBondContact O-NE2 3.14Å; R502-Q506 WeakPolarHBondContact O-CB 3.37Å; R502-Q506 PolarHBondContact O-N 3.21Å; L503-Q506 PolarHBondContact O-N 3.49Å; T504-Q506 VanDerWaalsContact C-N 3.35Å; T504-Q506 PolarHBondContact O-N 3.36Å; Q506-H508 VanDerWaalsContact C-N 3.25Å
507	F	77.2	Confident	81.8	Confident	45 Å²	45	35.3 Å²	35.3	20%	0.197	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	4.2	174.6	-78.1	-75.8	0	0	0	113.4	I389 Y467 L471 I475 L503 T504 A505 A509	I389-F507 HydrophobicContact CD1-CE2 3.99Å; I389-F507 HydrophobicContact CD1-CZ 4.36Å; I389-F507 HydrophobicContact CG1-CE2 4.2Å; I389-F507 HydrophobicContact CG1-CZ 4.13Å; Y467-F507 HydrophobicContact CD1-CB 4.11Å; Y467-F507 AromaticContact CD1-CD1 3.95Å; Y467-F507 HydrophobicContact CD1-CD1 3.95Å; Y467-F507 HydrophobicContact CD1-CG 4.37Å; Y467-F507 HydrophobicContact CE1-CB 4.11Å; Y467-F507 HydrophobicContact CG-CD1 4.16Å; L471-F507 HydrophobicContact CD2-CZ 4.37Å; I475-F507 HydrophobicContact CD1-CB 4.08Å; I475-F507 HydrophobicContact CD1-CD2 3.99Å; I475-F507 HydrophobicContact CD1-CG 4.12Å; L503-F507 HydrophobicContact CD1-CD2 3.81Å; L503-F507 HydrophobicContact CD1-CE2 3.56Å; L503-F507 HydrophobicContact CG-CD2 4.17Å; L503-F507 HydrophobicContact CG-CE2 4.33Å; L503-F507 WeakPolarHBondContact O-CD2 3.31Å; L503-F507 PolarHBondContact O-N 2.99Å; L503-F507 VanDerWaalsContact O-N 3.11Å; T504-F507 PolarHBondContact O-N 2.95Å; A505-F507 PolarHBondContact O-N 2.88Å; F507-A509 PolarHBondContact O-N 2.83Å; F507-A509 VanDerWaalsContact O-N 3.13Å
508	H	70	Confident	81.9	Confident	74 Å²	74	38.8 Å²	38.8	34%	0.343	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	28.7	-171.3	-57.1	-71.4	0	0	0	113	T504 A505 Q506	T504-H508 PolarHBondContact O-N 2.88Å; A505-H508 PolarHBondContact O-N 2.91Å; A505-H508 VanDerWaalsContact O-N 3.09Å; Q506-H508 VanDerWaalsContact C-N 3.25Å
509	A	73	Confident	82	Confident	12 Å²	12	43.6 Å²	43.6	10%	0.099	23%	0.228	C	C	.	.			trans	-73.7	155.8	176.4	0	0	0	0	0	110.2	Y467 I475 T504 F507	Y467-A509 HydrophobicContact CE1-CB 4.48Å; Y467-A509 WeakPolarHBondContact OH-CB 3.47Å; I475-A509 HydrophobicContact CD1-CB 4.48Å; I475-A509 HydrophobicContact CG2-CB 3.87Å; T504-A509 HydrophobicContact CG2-CB 3.78Å; T504-A509 WeakPolarHBondContact CG2-O 3.47Å; T504-A509 PolarHBondContact O-N 3.08Å; F507-A509 PolarHBondContact O-N 2.83Å; F507-A509 VanDerWaalsContact O-N 3.13Å
510	L	73.7	Confident	82.1	Confident	51 Å²	51	48 Å²	48	27%	0.267	25%	0.249	S	C	.	.			trans	-76.3	134.4	-179.3	-152.4	92.9	0	0	0	109.7	C402 E512 F515	C402-L510 HydrophobicContact CB-CD1 3.81Å; L510-E512 PolarHBondContact O-N 3.15Å; L510-F515 HydrophobicContact CD2-CD2 4.16Å; L510-F515 HydrophobicContact CD2-CE2 3.22Å; L510-F515 HydrophobicContact CD2-CZ 3.61Å; L510-F515 HydrophobicContact CG-CE2 4.35Å
511	D	79.5	Confident	81.9	Confident	63 Å²	63	51 Å²	51	34%	0.337	26%	0.262	S	S	.	.			trans	-72.1	97	168.5	-174.3	-3.4	0	0	0	109.3	C479 R513	C479-D511 PolarHBondContact SG-OD1 2.7Å; D511-R513 PolarHBondContact O-N 3.33Å; D511-R513 WeakPolarHBondContact OD1-CB 3.4Å; D511-R513 VanDerWaalsContact OD1-CG 3.27Å; D511-R513 WeakPolarHBondContact OD1-CG 3.49Å; D511-R513 IonicContact OD1-CZ 3.4Å; D511-R513 PolarHBondContact OD1-N 3.41Å; D511-R513 IonicContact OD1-NE 2.74Å; D511-R513 PolarHBondContact OD1-NE 2.82Å; D511-R513 IonicContact OD1-NH2 3.76Å; D511-R513 IonicContact OD2-CZ 3.44Å; D511-R513 VanDerWaalsContact OD2-CZ 3.29Å; D511-R513 IonicContact OD2-NE 3.95Å; D511-R513 PolarHBondContact OD2-NE 3.24Å; D511-R513 IonicContact OD2-NH2 3.66Å; D511-R513 PolarHBondContact OD2-NH2 3.19Å
512	E	81	Confident	81.9	Confident	31 Å²	31	55.1 Å²	55.1	15%	0.145	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-74.6	-4.7	-172.6	-67.2	-155.5	158.8	0	0	114.5	Q476 L510 A514 F515 Y516	Q476-E512 WeakPolarHBondContact CG-OE2 3.43Å; Q476-E512 PolarHBondContact NE2-OE2 3.12Å; L510-E512 PolarHBondContact O-N 3.15Å; E512-A514 PolarHBondContact O-N 3.22Å; E512-A514 VanDerWaalsContact O-N 3.11Å; E512-F515 HydrophobicContact CB-CD2 4.37Å; E512-F515 WeakPolarHBondContact O-CB 3.25Å; E512-F515 PolarHBondContact O-N 3.32Å; E512-Y516 HydrophobicContact CB-CE2 4.38Å; E512-Y516 WeakPolarHBondContact O-CD2 3.48Å
513	R	83.4	Confident	81.7	Confident	64 Å²	64	56.9 Å²	56.9	24%	0.242	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.9	-35.4	-176.8	-72.3	-177.8	-68.7	179.7	3.7	113.3	C479 A484 L501 D511 F515 Y516	C479-R513 WeakPolarHBondContact O-CD 3.16Å; C479-R513 WeakPolarHBondContact O-CG 3.08Å; A484-R513 PolarHBondContact O-NH1 3.36Å; L501-R513 VanDerWaalsContact CD2-NH2 3.28Å; D511-R513 PolarHBondContact O-N 3.33Å; D511-R513 WeakPolarHBondContact OD1-CB 3.4Å; D511-R513 VanDerWaalsContact OD1-CG 3.27Å; D511-R513 WeakPolarHBondContact OD1-CG 3.49Å; D511-R513 IonicContact OD1-CZ 3.4Å; D511-R513 PolarHBondContact OD1-N 3.41Å; D511-R513 IonicContact OD1-NE 2.74Å; D511-R513 PolarHBondContact OD1-NE 2.82Å; D511-R513 IonicContact OD1-NH2 3.76Å; D511-R513 IonicContact OD2-CZ 3.44Å; D511-R513 VanDerWaalsContact OD2-CZ 3.29Å; D511-R513 IonicContact OD2-NE 3.95Å; D511-R513 PolarHBondContact OD2-NE 3.24Å; D511-R513 IonicContact OD2-NH2 3.66Å; D511-R513 PolarHBondContact OD2-NH2 3.19Å; R513-F515 PolarHBondContact O-N 3Å; R513-Y516 PolarHBondContact O-N 3.46Å; R513-Y516 VanDerWaalsContact O-O 3.05Å
514	A	80.3	Confident	81.6	Confident	80 Å²	80	58.9 Å²	58.9	66%	0.661	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-66.9	-19.2	178.4	0	0	0	0	0	113.9	E512 N538	E512-A514 PolarHBondContact O-N 3.22Å; E512-A514 VanDerWaalsContact O-N 3.11Å; A514-N538 PolarHBondContact O-ND2 3.3Å
515	F	83.5	Confident	81.2	Confident	63 Å²	63	60.9 Å²	60.9	28%	0.276	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-92.2	-2.6	179.8	-56.6	-84.8	0	0	0	113.1	K404 L510 E512 R513 R537 N538	K404-F515 HydrophobicContact CD-CE1 4.28Å; L510-F515 HydrophobicContact CD2-CD2 4.16Å; L510-F515 HydrophobicContact CD2-CE2 3.22Å; L510-F515 HydrophobicContact CD2-CZ 3.61Å; L510-F515 HydrophobicContact CG-CE2 4.35Å; E512-F515 HydrophobicContact CB-CD2 4.37Å; E512-F515 WeakPolarHBondContact O-CB 3.25Å; E512-F515 PolarHBondContact O-N 3.32Å; R513-F515 PolarHBondContact O-N 3Å; F515-R537 CarbonylContact O-C 3.57Å; F515-R537 WeakPolarHBondContact O-CA 3.24Å; F515-N538 WeakPolarHBondContact O-CB 3.39Å; F515-N538 PolarHBondContact O-N 3.27Å
516	Y	85.9	Confident	80.8	Confident	29 Å²	29	63.5 Å²	63.5	11%	0.114	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.7	179	-72	-90.4	0	0	0	110.4	Q476 I480 E512 R513 C535 V536 R537 F549	Q476-Y516 PolarHBondContact NE2-OH 2.92Å; I480-Y516 HydrophobicContact CD1-CD2 3.44Å; I480-Y516 VanDerWaalsContact CD1-CD2 3.44Å; I480-Y516 HydrophobicContact CD1-CE2 3.37Å; I480-Y516 HydrophobicContact CD1-CG 4.06Å; I480-Y516 HydrophobicContact CG1-CD2 4.13Å; I480-Y516 HydrophobicContact CG1-CE2 4.45Å; E512-Y516 HydrophobicContact CB-CE2 4.38Å; E512-Y516 WeakPolarHBondContact O-CD2 3.48Å; R513-Y516 PolarHBondContact O-N 3.46Å; R513-Y516 VanDerWaalsContact O-O 3.05Å; Y516-C535 HydrophobicContact CD1-CB 3.91Å; Y516-C535 HydrophobicContact CG-CB 4.39Å; Y516-V536 CarbonylContact C-O 3.58Å; Y516-V536 WeakPolarHBondContact CA-O 3.17Å; Y516-R537 HydrophobicContact CD1-CB 4.09Å; Y516-R537 HydrophobicContact CD1-CG 4.44Å; Y516-R537 HydrophobicContact CE1-CB 3.81Å; Y516-R537 HydrophobicContact CE1-CG 4.06Å; Y516-F549 HydrophobicContact CD1-CE2 4.42Å; Y516-F549 HydrophobicContact CE1-CE2 4.26Å; Y516-F549 HydrophobicContact CE1-CZ 4.14Å
517	T	85.7	Confident	80.5	Confident	73 Å²	73	70.3 Å²	70.3	45%	0.448	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.6	166.6	-63.4	0	0	0	0	108.4	L519 C535 V536 N538	T517-L519 PolarHBondContact O-N 2.91Å; T517-C535 WeakPolarHBondContact O-CA 3.36Å; T517-V536 PolarHBondContact N-O 3Å; T517-V536 PolarHBondContact O-N 3.1Å; T517-N538 WeakPolarHBondContact CB-OD1 3.45Å; T517-N538 PolarHBondContact N-OD1 2.92Å; T517-N538 PolarHBondContact OG1-OD1 3.35Å
518	R	88.1	Confident	80.7	Confident	82 Å²	82	69.9 Å²	69.9	31%	0.309	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	119.6	171.6	-73.4	-171	-175.9	166.9	12	109.4	I480 N482 N483 E521	I480-R518 PolarHBondContact O-NE 3.36Å; I480-R518 PolarHBondContact O-NH2 3.15Å; N482-R518 PolarHBondContact O-NH2 2.93Å; N483-R518 PolarHBondContact OD1-NH1 2.79Å; R518-E521 IonicContact CZ-OE2 3.29Å; R518-E521 IonicContact NH1-OE2 2.95Å; R518-E521 PolarHBondContact NH1-OE2 3.24Å
519	L	87.7	Confident	81.4	Confident	102 Å²	102	71.3 Å²	71.3	53%	0.534	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-39.5	175.2	-63.6	-177.3	0	0	0	111.8	T517 K534 V536 P546	T517-L519 PolarHBondContact O-N 2.91Å; L519-K534 HydrophobicContact CB-CD 4.47Å; L519-K534 HydrophobicContact CB-CG 4.4Å; L519-K534 PolarHBondContact N-O 3.11Å; L519-V536 HydrophobicContact CD1-CG2 3.52Å; L519-V536 HydrophobicContact CG-CG2 4.08Å; L519-P546 HydrophobicContact CD1-CB 4.4Å
520	Q	89.9	Confident	82.2	Confident	94 Å²	94	71.2 Å²	71.2	44%	0.439	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.5	-176.3	-171.5	169	9.3	0	0	110	W522 K534	Q520-W522 HydrophobicContact CB-CH2 4.27Å; Q520-W522 HydrophobicContact CB-CZ3 4.3Å; Q520-W522 HydrophobicContact CG-CE3 4.38Å; Q520-W522 HydrophobicContact CG-CH2 3.81Å; Q520-W522 HydrophobicContact CG-CZ2 3.94Å; Q520-W522 HydrophobicContact CG-CZ3 4.03Å; Q520-K534 HydrophobicContact CB-CB 4.15Å; Q520-K534 HydrophobicContact CB-CD 4.44Å; Q520-K534 PolarHBondContact N-O 3.27Å; Q520-K534 PolarHBondContact O-N 3.48Å
521	E	86.7	Confident	83.1	Confident	65 Å²	65	68.9 Å²	68.9	30%	0.304	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.5	177.4	178.4	172.1	146.3	0	0	109.7	N483 R518 M531 V533	N483-E521 PolarHBondContact ND2-OE1 3.41Å; N483-E521 PolarHBondContact OD1-OE1 3.38Å; N483-E521 PolarHBondContact OD1-OE2 3.47Å; R518-E521 IonicContact CZ-OE2 3.29Å; R518-E521 IonicContact NH1-OE2 2.95Å; R518-E521 PolarHBondContact NH1-OE2 3.24Å; E521-M531 HydrophobicContact CG-CE 4.37Å; E521-V533 HydrophobicContact CB-CG1 4.11Å; E521-V533 HydrophobicContact CG-CG1 3.81Å
522	W	88.2	Confident	83.7	Confident	102 Å²	102	66.2 Å²	66.2	39%	0.386	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	99.4	162.5	-65.1	-89.9	0	0	0	106.7	Q520 M531 I532 K534 Y548	Q520-W522 HydrophobicContact CB-CH2 4.27Å; Q520-W522 HydrophobicContact CB-CZ3 4.3Å; Q520-W522 HydrophobicContact CG-CE3 4.38Å; Q520-W522 HydrophobicContact CG-CH2 3.81Å; Q520-W522 HydrophobicContact CG-CZ2 3.94Å; Q520-W522 HydrophobicContact CG-CZ3 4.03Å; W522-M531 WeakPolarHBondContact O-CA 3.38Å; W522-I532 HydrophobicContact CB-CB 4.34Å; W522-I532 HydrophobicContact CE3-CB 3.97Å; W522-I532 HydrophobicContact CE3-CG2 3.9Å; W522-I532 HydrophobicContact CZ3-CG2 4.21Å; W522-I532 PolarHBondContact N-O 3.4Å; W522-I532 PolarHBondContact O-N 3.03Å; W522-K534 HydrophobicContact CZ3-CB 4.12Å; W522-Y548 HydrophobicContact CH2-CE1 4.06Å; W522-Y548 HydrophobicContact CZ3-CD1 4.25Å; W522-Y548 AromaticContact CZ3-CE1 3.96Å; W522-Y548 HydrophobicContact CZ3-CE1 3.96Å
523	P	81.6	Confident	84.3	Confident	71 Å²	71	64.8 Å²	64.8	46%	0.461	34%	0.336	S	S	.	.			trans	-65.9	158.4	-176.4	27.9	-34.4	0	0	0	110.4	S525	P523-S525 PolarHBondContact O-N 2.71Å
524	F	83.8	Confident	84.7	Confident	47 Å²	47	63.9 Å²	63.9	21%	0.206	33%	0.334	C	S	.	.			trans	-59.4	127.3	174	179.5	-92.4	0	0	0	110.9	R170 K529 M531	R170-F524 PolarHBondContact NH2-O 3.46Å; F524-K529 VanDerWaalsContact CE2-C 3.44Å; F524-K529 HydrophobicContact CE2-CB 4.5Å; F524-M531 HydrophobicContact CB-CB 4.21Å
525	S	73.1	Confident	85.2	Confident	48 Å²	48	60 Å²	60	34%	0.336	30%	0.302	S	S	.	.			trans	-125	154.2	168.6	82	0	0	0	0	110.9	P523 E527 S528 K529	P523-S525 PolarHBondContact O-N 2.71Å; S525-E527 PolarHBondContact O-N 3.32Å; S525-S528 PolarHBondContact O-N 3.07Å; S525-S528 PolarHBondContact O-OG 3.13Å; S525-S528 PolarHBondContact OG-N 3.31Å; S525-S528 VanDerWaalsContact OG-N 3.1Å; S525-S528 PolarHBondContact OG-OG 3.02Å; S525-K529 WeakPolarHBondContact O-CA 3.34Å; S525-K529 PolarHBondContact O-N 3.17Å
526	S	69.1	Low	85.4	Confident	94 Å²	94	59.4 Å²	59.4	66%	0.657	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.5	177.6	-53	0	0	0	0	112.9	K529	S526-K529 VanDerWaalsContact O-CG 3.3Å; S526-K529 WeakPolarHBondContact O-CG 3.23Å
527	E	70	Confident	85.4	Confident	186 Å²	186	63.2 Å²	63.2	87%	0.869	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-49.4	175.3	-74.2	-176.2	154.5	0	0	111.8	S525	S525-E527 PolarHBondContact O-N 3.32Å
528	S	80.8	Confident	85	Confident	36 Å²	36	62.6 Å²	62.6	25%	0.252	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-33.5	-178.6	72.8	0	0	0	0	112.1	S525 L530	S525-S528 PolarHBondContact O-N 3.07Å; S525-S528 PolarHBondContact O-OG 3.13Å; S525-S528 PolarHBondContact OG-N 3.31Å; S525-S528 VanDerWaalsContact OG-N 3.1Å; S525-S528 PolarHBondContact OG-OG 3.02Å; S528-L530 VanDerWaalsContact O-CD2 3.28Å; S528-L530 WeakPolarHBondContact O-CD2 3.4Å; S528-L530 VanDerWaalsContact O-CG 3.25Å; S528-L530 WeakPolarHBondContact O-CG 3.18Å; S528-L530 PolarHBondContact O-N 3Å; S528-L530 PolarHBondContact OG-N 3.41Å; S528-L530 PolarHBondContact OG-O 2.98Å; S528-L530 VanDerWaalsContact OG-O 3.05Å
529	K	85.5	Confident	84.2	Confident	104 Å²	104	66.7 Å²	66.7	45%	0.452	34%	0.339	S	S	.	.			trans	56.4	24.8	-171.3	-51.9	-179.1	179.1	179.3	0	113.9	F524 S525 S526 G552 A553 Q556	F524-K529 VanDerWaalsContact CE2-C 3.44Å; F524-K529 HydrophobicContact CE2-CB 4.5Å; S525-K529 WeakPolarHBondContact O-CA 3.34Å; S525-K529 PolarHBondContact O-N 3.17Å; S526-K529 VanDerWaalsContact O-CG 3.3Å; S526-K529 WeakPolarHBondContact O-CG 3.23Å; K529-G552 VanDerWaalsContact O-CA 3.3Å; K529-G552 WeakPolarHBondContact O-CA 3.48Å; K529-A553 HydrophobicContact CB-CB 3.85Å; K529-A553 HydrophobicContact CD-CB 4.41Å; K529-A553 PolarHBondContact O-N 3.28Å; K529-Q556 HydrophobicContact CB-CG 4.29Å; K529-Q556 HydrophobicContact CD-CG 4.49Å
530	L	89.5	Confident	83.1	Confident	11 Å²	11	66.2 Å²	66.2	6%	0.058	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.3	-179.3	41.6	102.2	0	0	0	112.2	S528 I532 K551 Q556	S528-L530 VanDerWaalsContact O-CD2 3.28Å; S528-L530 WeakPolarHBondContact O-CD2 3.4Å; S528-L530 VanDerWaalsContact O-CG 3.25Å; S528-L530 WeakPolarHBondContact O-CG 3.18Å; S528-L530 PolarHBondContact O-N 3Å; S528-L530 PolarHBondContact OG-N 3.41Å; S528-L530 PolarHBondContact OG-O 2.98Å; S528-L530 VanDerWaalsContact OG-O 3.05Å; L530-I532 HydrophobicContact CD1-CD1 3.9Å; L530-I532 HydrophobicContact CD1-CG1 4.11Å; L530-K551 WeakPolarHBondContact CA-O 3.49Å; L530-Q556 HydrophobicContact CD2-CB 3.57Å
531	M	91.6	Very high	81.5	Confident	2 Å²	2	66 Å²	66	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.3	171.2	-178.4	-176.1	178.4	0	0	108.5	N483 E521 W522 F524 V533 A550 K551	N483-M531 VanDerWaalsContact OD1-CE 3.28Å; N483-M531 WeakPolarHBondContact OD1-CE 3.41Å; E521-M531 HydrophobicContact CG-CE 4.37Å; W522-M531 WeakPolarHBondContact O-CA 3.38Å; F524-M531 HydrophobicContact CB-CB 4.21Å; M531-V533 HydrophobicContact CE-CG1 3.91Å; M531-A550 VanDerWaalsContact O-CA 3.27Å; M531-A550 WeakPolarHBondContact O-CA 3.48Å; M531-K551 HydrophobicContact CB-CG 4.15Å; M531-K551 PolarHBondContact N-O 3.49Å; M531-K551 PolarHBondContact O-N 3.46Å; M531-K551 WeakPolarHBondContact SD-CE 3.21Å
532	I	93	Very high	79.9	Confident	7 Å²	7	69.2 Å²	69.2	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.5	176.4	-56.1	179.2	0	0	0	108.4	W522 L530 Y548 F549 A550 M633	W522-I532 HydrophobicContact CB-CB 4.34Å; W522-I532 HydrophobicContact CE3-CB 3.97Å; W522-I532 HydrophobicContact CE3-CG2 3.9Å; W522-I532 HydrophobicContact CZ3-CG2 4.21Å; W522-I532 PolarHBondContact N-O 3.4Å; W522-I532 PolarHBondContact O-N 3.03Å; L530-I532 HydrophobicContact CD1-CD1 3.9Å; L530-I532 HydrophobicContact CD1-CG1 4.11Å; I532-Y548 HydrophobicContact CG2-CD1 4Å; I532-F549 CarbonylContact C-O 3.59Å; I532-F549 WeakPolarHBondContact CA-O 3.38Å; I532-A550 HydrophobicContact CG1-CB 3.91Å; I532-M633 HydrophobicContact CD1-CE 4.28Å
533	V	92.5	Very high	78.2	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.7	170	-70.1	0	0	0	0	110.2	I480 C481 E521 M531 Y548 F549	I480-V533 HydrophobicContact CG2-CG2 4.14Å; C481-V533 HydrophobicContact CB-CG2 3.79Å; E521-V533 HydrophobicContact CB-CG1 4.11Å; E521-V533 HydrophobicContact CG-CG1 3.81Å; M531-V533 HydrophobicContact CE-CG1 3.91Å; V533-Y548 WeakPolarHBondContact O-CA 3.48Å; V533-F549 HydrophobicContact CG2-CB 3.83Å; V533-F549 PolarHBondContact N-O 3.43Å; V533-F549 PolarHBondContact O-N 3.38Å
534	K	92.9	Very high	77.2	Confident	45 Å²	45	70.6 Å²	70.6	20%	0.196	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.4	174.1	-177.6	-177.6	-177.7	173	0	108.6	L519 Q520 W522 P546 Y548	L519-K534 HydrophobicContact CB-CD 4.47Å; L519-K534 HydrophobicContact CB-CG 4.4Å; L519-K534 PolarHBondContact N-O 3.11Å; Q520-K534 HydrophobicContact CB-CB 4.15Å; Q520-K534 HydrophobicContact CB-CD 4.44Å; Q520-K534 PolarHBondContact N-O 3.27Å; Q520-K534 PolarHBondContact O-N 3.48Å; W522-K534 HydrophobicContact CZ3-CB 4.12Å; K534-P546 HydrophobicContact CD-CB 4.31Å; K534-P546 VanDerWaalsContact CE-CB 3.42Å; K534-P546 VanDerWaalsContact CE-CG 3.44Å; K534-P546 HydrophobicContact CG-CB 3.89Å; K534-Y548 HydrophobicContact CB-CD1 4.1Å; K534-Y548 HydrophobicContact CB-CE1 3.91Å; K534-Y548 HydrophobicContact CD-CE1 3.9Å; K534-Y548 WeakPolarHBondContact CE-OH 3.4Å; K534-Y548 HydrophobicContact CG-CD1 4.34Å; K534-Y548 HydrophobicContact CG-CE1 3.88Å; K534-Y548 HydrophobicContact CG-CE2 4.42Å; K534-Y548 PolarHBondContact NZ-OH 3.36Å
535	C	90	Very high	76.7	Confident	0 Å²	0	75 Å²	75	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.8	-171.4	-61.9	0	0	0	0	111.9	Y516 T517 V547 F549	Y516-C535 HydrophobicContact CD1-CB 3.91Å; Y516-C535 HydrophobicContact CG-CB 4.39Å; T517-C535 WeakPolarHBondContact O-CA 3.36Å; C535-V547 PolarHBondContact N-O 3.07Å; C535-V547 PolarHBondContact O-N 3.39Å; C535-F549 HydrophobicContact CB-CD2 4.15Å; C535-F549 HydrophobicContact CB-CE2 3.94Å
536	V	88.4	Confident	77.3	Confident	50 Å²	50	74.4 Å²	74.4	30%	0.303	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.4	166.6	174.8	0	0	0	0	108.4	Y516 T517 L519 P546	Y516-V536 CarbonylContact C-O 3.58Å; Y516-V536 WeakPolarHBondContact CA-O 3.17Å; T517-V536 PolarHBondContact N-O 3Å; T517-V536 PolarHBondContact O-N 3.1Å; L519-V536 HydrophobicContact CD1-CG2 3.52Å; L519-V536 HydrophobicContact CG-CG2 4.08Å; V536-P546 HydrophobicContact CG2-CB 4.22Å
537	R	84.2	Confident	78.3	Confident	109 Å²	109	72 Å²	72	41%	0.411	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.9	179.8	-162.9	172.5	-172.3	171.3	3.7	110.6	F515 Y516 Q540	F515-R537 CarbonylContact O-C 3.57Å; F515-R537 WeakPolarHBondContact O-CA 3.24Å; Y516-R537 HydrophobicContact CD1-CB 4.09Å; Y516-R537 HydrophobicContact CD1-CG 4.44Å; Y516-R537 HydrophobicContact CE1-CB 3.81Å; Y516-R537 HydrophobicContact CE1-CG 4.06Å; R537-Q540 VanDerWaalsContact CD-OE1 3.22Å
538	N	79.1	Confident	79.4	Confident	60 Å²	60	64.5 Å²	64.5	32%	0.321	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	140.6	-179.4	-63.1	-15.1	0	0	0	110.1	A514 F515 T517 Q540	A514-N538 PolarHBondContact O-ND2 3.3Å; F515-N538 WeakPolarHBondContact O-CB 3.39Å; F515-N538 PolarHBondContact O-N 3.27Å; T517-N538 WeakPolarHBondContact CB-OD1 3.45Å; T517-N538 PolarHBondContact N-OD1 2.92Å; T517-N538 PolarHBondContact OG1-OD1 3.35Å; N538-Q540 VanDerWaalsContact C-N 3.27Å; N538-Q540 PolarHBondContact O-N 2.86Å
539	N	71.1	Confident	80.1	Confident	168 Å²	168	62.9 Å²	62.9	90%	0.898	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	16	179.1	-57.9	-18.4	0	0	0	116.6
540	Q	63.3	Low	80.5	Confident	91 Å²	91	58 Å²	58	43%	0.425	32%	0.315	S	S	.	.	S	Bend	trans	-94.5	150.2	163.2	-78.3	-170.6	-52.7	0	0	110.6	R537 N538 D544	R537-Q540 VanDerWaalsContact CD-OE1 3.22Å; N538-Q540 VanDerWaalsContact C-N 3.27Å; N538-Q540 PolarHBondContact O-N 2.86Å; Q540-D544 PolarHBondContact OE1-OD2 3.47Å
541	P	56.7	Low	80.8	Confident	91 Å²	91	58.1 Å²	58.1	59%	0.591	32%	0.315	S	S	*	.			trans	-57.1	144	179.7	22.5	-31.6	0	0	0	111	T543 D544	P541-T543 PolarHBondContact O-N 3.23Å; P541-D544 PolarHBondContact O-N 3.34Å
542	S	53.3	Low	80.8	Confident	131 Å²	131	58.1 Å²	58.1	92%	0.916	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	5.8	-174.5	46.3	0	0	0	0	116.1
543	T	52.6	Low	80.7	Confident	119 Å²	119	59.1 Å²	59.1	73%	0.73	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.9	177.7	48.9	0	0	0	0	114.2	P541	P541-T543 PolarHBondContact O-N 3.23Å
544	D	60.9	Low	80.7	Confident	84 Å²	84	59.8 Å²	59.8	45%	0.449	33%	0.329	S	S	.	.	S	Bend	trans	-76.7	129.8	177.2	-89.6	-22.7	0	0	0	111.8	Q540 P541	Q540-D544 PolarHBondContact OE1-OD2 3.47Å; P541-D544 PolarHBondContact O-N 3.34Å
545	E	73.2	Confident	80.5	Confident	138 Å²	138	62.4 Å²	62.4	65%	0.645	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-62.5	143.7	177.8	-70.2	-173.4	163.9	0	0	111.3	V547	E545-V547 PolarHBondContact O-N 3.4Å
546	P	85.4	Confident	80.6	Confident	36 Å²	36	66 Å²	66	23%	0.234	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-62.7	136.9	176.8	26.5	-33.6	0	0	0	110.9	L519 K534 V536	L519-P546 HydrophobicContact CD1-CB 4.4Å; K534-P546 HydrophobicContact CD-CB 4.31Å; K534-P546 VanDerWaalsContact CE-CB 3.42Å; K534-P546 VanDerWaalsContact CE-CG 3.44Å; K534-P546 HydrophobicContact CG-CB 3.89Å; V536-P546 HydrophobicContact CG2-CB 4.22Å
547	V	90.3	Very high	80.7	Confident	45 Å²	45	63.6 Å²	63.6	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.4	178.5	-174.8	0	0	0	0	109.4	C535 E545 F549	C535-V547 PolarHBondContact N-O 3.07Å; C535-V547 PolarHBondContact O-N 3.39Å; E545-V547 PolarHBondContact O-N 3.4Å; V547-F549 HydrophobicContact CB-CE2 3.86Å; V547-F549 HydrophobicContact CB-CZ 4.24Å; V547-F549 HydrophobicContact CG1-CD2 4.21Å; V547-F549 HydrophobicContact CG1-CE1 4.28Å; V547-F549 HydrophobicContact CG1-CE2 3.61Å; V547-F549 HydrophobicContact CG1-CZ 3.66Å
548	Y	93.6	Very high	81.1	Confident	28 Å²	28	58.5 Å²	58.5	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.6	174	-64.2	-99.5	0	0	0	109.2	W522 I532 V533 K534 K626 G627 T628	W522-Y548 HydrophobicContact CH2-CE1 4.06Å; W522-Y548 HydrophobicContact CZ3-CD1 4.25Å; W522-Y548 AromaticContact CZ3-CE1 3.96Å; W522-Y548 HydrophobicContact CZ3-CE1 3.96Å; I532-Y548 HydrophobicContact CG2-CD1 4Å; V533-Y548 WeakPolarHBondContact O-CA 3.48Å; K534-Y548 HydrophobicContact CB-CD1 4.1Å; K534-Y548 HydrophobicContact CB-CE1 3.91Å; K534-Y548 HydrophobicContact CD-CE1 3.9Å; K534-Y548 WeakPolarHBondContact CE-OH 3.4Å; K534-Y548 HydrophobicContact CG-CD1 4.34Å; K534-Y548 HydrophobicContact CG-CE1 3.88Å; K534-Y548 HydrophobicContact CG-CE2 4.42Å; K534-Y548 PolarHBondContact NZ-OH 3.36Å; Y548-K626 CarbonylContact O-C 3.58Å; Y548-K626 WeakPolarHBondContact O-CA 3.31Å; Y548-G627 PolarHBondContact N-O 3.33Å; Y548-G627 PolarHBondContact O-N 3.25Å; Y548-T628 WeakPolarHBondContact CD2-O 3.47Å; Y548-T628 WeakPolarHBondContact CE2-O 3.12Å
549	F	94.9	Very high	81.6	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.009	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.2	173.1	-61.2	-92.9	0	0	0	108.8	Q476 I477 I480 C481 Y516 I532 V533 C535 V547 K626	Q476-F549 HydrophobicContact CG-CE1 4.28Å; I477-F549 HydrophobicContact CB-CD1 4.36Å; I477-F549 HydrophobicContact CG1-CD1 3.89Å; I477-F549 HydrophobicContact CG1-CE1 4.47Å; I477-F549 HydrophobicContact CG2-CB 4.35Å; I477-F549 HydrophobicContact CG2-CD1 4.47Å; I480-F549 HydrophobicContact CB-CD1 4.44Å; I480-F549 HydrophobicContact CB-CD2 4.45Å; I480-F549 HydrophobicContact CB-CG 4.32Å; I480-F549 HydrophobicContact CD1-CD1 4.32Å; I480-F549 HydrophobicContact CD1-CE1 3.75Å; I480-F549 HydrophobicContact CD1-CE2 4.03Å; I480-F549 HydrophobicContact CD1-CZ 3.58Å; I480-F549 HydrophobicContact CG2-CB 4.43Å; I480-F549 HydrophobicContact CG2-CD1 4.48Å; I480-F549 HydrophobicContact CG2-CD2 3.66Å; I480-F549 HydrophobicContact CG2-CE2 3.96Å; I480-F549 HydrophobicContact CG2-CG 3.94Å; C481-F549 HydrophobicContact CB-CB 4.05Å; C481-F549 PolarHBondContact SG-O 3.49Å; Y516-F549 HydrophobicContact CD1-CE2 4.42Å; Y516-F549 HydrophobicContact CE1-CE2 4.26Å; Y516-F549 HydrophobicContact CE1-CZ 4.14Å; I532-F549 CarbonylContact C-O 3.59Å; I532-F549 WeakPolarHBondContact CA-O 3.38Å; V533-F549 HydrophobicContact CG2-CB 3.83Å; V533-F549 PolarHBondContact N-O 3.43Å; V533-F549 PolarHBondContact O-N 3.38Å; C535-F549 HydrophobicContact CB-CD2 4.15Å; C535-F549 HydrophobicContact CB-CE2 3.94Å; V547-F549 HydrophobicContact CB-CE2 3.86Å; V547-F549 HydrophobicContact CB-CZ 4.24Å; V547-F549 HydrophobicContact CG1-CD2 4.21Å; V547-F549 HydrophobicContact CG1-CE1 4.28Å; V547-F549 HydrophobicContact CG1-CE2 3.61Å; V547-F549 HydrophobicContact CG1-CZ 3.66Å; F549-K626 HydrophobicContact CD1-CB 4.1Å; F549-K626 HydrophobicContact CE1-CB 4.34Å; F549-K626 HydrophobicContact CE1-CD 4.48Å
550	A	94.6	Very high	82.5	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.1	-174.1	0	0	0	0	0	112.2	M531 I532 L557 L624 A625 M633	M531-A550 VanDerWaalsContact O-CA 3.27Å; M531-A550 WeakPolarHBondContact O-CA 3.48Å; I532-A550 HydrophobicContact CG1-CB 3.91Å; A550-L557 HydrophobicContact CB-CD1 3.55Å; A550-L624 WeakPolarHBondContact O-CA 3.42Å; A550-A625 PolarHBondContact N-O 2.77Å; A550-A625 PolarHBondContact O-N 3.34Å; A550-M633 HydrophobicContact CB-CE 3.72Å; A550-M633 HydrophobicContact CB-SD 3.51Å; A550-M633 VanDerWaalsContact CB-SD 3.51Å
551	K	95	Very high	83.9	Confident	14 Å²	14	52 Å²	52	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.6	170.3	72	-178.6	-178.8	-164.7	0	110.2	C481 E497 L500 L530 M531 A623 L624	C481-K551 VanDerWaalsContact O-CD 3.29Å; C481-K551 WeakPolarHBondContact O-CD 3.49Å; C481-K551 WeakPolarHBondContact O-CE 3.47Å; C481-K551 PolarHBondContact O-NZ 2.87Å; E497-K551 VanDerWaalsContact CG-NZ 3.31Å; E497-K551 IonicContact OE1-NZ 2.71Å; E497-K551 PolarHBondContact OE1-NZ 3.04Å; L500-K551 HydrophobicContact CD1-CD 3.99Å; L530-K551 WeakPolarHBondContact CA-O 3.49Å; M531-K551 HydrophobicContact CB-CG 4.15Å; M531-K551 PolarHBondContact N-O 3.49Å; M531-K551 PolarHBondContact O-N 3.46Å; M531-K551 WeakPolarHBondContact SD-CE 3.21Å; K551-A623 VanDerWaalsContact CA-O 3.31Å; K551-A623 WeakPolarHBondContact CA-O 3.48Å; K551-L624 HydrophobicContact CB-CG 4.45Å
552	G	92.7	Very high	85.4	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-164.2	178.1	0	0	0	0	0	114.4	K529 A623	K529-G552 VanDerWaalsContact O-CA 3.3Å; K529-G552 WeakPolarHBondContact O-CA 3.48Å; G552-A623 PolarHBondContact N-O 3.09Å; G552-A623 PolarHBondContact O-N 3.2Å
553	A	90.9	Very high	87.2	Confident	29 Å²	29	46.9 Å²	46.9	24%	0.24	25%	0.25	C	S	.	.			trans	-58.6	139.1	171	0	0	0	0	0	110.6	K529 D555 Q556 L557	K529-A553 HydrophobicContact CB-CB 3.85Å; K529-A553 HydrophobicContact CD-CB 4.41Å; K529-A553 PolarHBondContact O-N 3.28Å; A553-D555 PolarHBondContact O-N 2.97Å; A553-Q556 HydrophobicContact CB-CB 4.43Å; A553-Q556 HydrophobicContact CB-CG 4.35Å; A553-Q556 PolarHBondContact O-N 2.75Å; A553-L557 PolarHBondContact O-N 3.4Å
554	V	92.1	Very high	89	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-50.2	-171.4	-176.4	0	0	0	0	111.6	Q556 L557 L558 I607 L608 A611 V621 A623 L638	V554-Q556 PolarHBondContact O-N 3.49Å; V554-L557 PolarHBondContact O-N 3.36Å; V554-L558 HydrophobicContact CG1-CD1 3.76Å; V554-L558 HydrophobicContact CG1-CG 4.32Å; V554-L558 WeakPolarHBondContact O-CB 3.26Å; V554-L558 VanDerWaalsContact O-CG 3.24Å; V554-L558 WeakPolarHBondContact O-CG 3.45Å; V554-L558 PolarHBondContact O-N 2.97Å; V554-I607 HydrophobicContact CG1-CG2 4.37Å; V554-L608 HydrophobicContact CG1-CD2 4.08Å; V554-A611 HydrophobicContact CB-CB 4.34Å; V554-A611 HydrophobicContact CG1-CB 3.97Å; V554-A611 HydrophobicContact CG2-CB 3.98Å; V554-V621 HydrophobicContact CG2-CB 4.38Å; V554-V621 HydrophobicContact CG2-CG1 3.84Å; V554-A623 HydrophobicContact CB-CB 4.4Å; V554-A623 HydrophobicContact CG1-CB 4.46Å; V554-A623 HydrophobicContact CG2-CB 4.21Å; V554-L638 HydrophobicContact CG1-CD2 3.97Å; V554-L638 HydrophobicContact CG2-CD2 3.91Å
555	D	89.1	Confident	90.2	Very high	100 Å²	100	37.7 Å²	37.7	54%	0.535	20%	0.197	S	C	.	.	H	α-helix	trans	-60.4	-48.6	-177.6	-50.8	-43.5	0	0	0	111.7	A553 L557 L558 D559 L608	A553-D555 PolarHBondContact O-N 2.97Å; D555-L557 VanDerWaalsContact C-N 3.34Å; D555-L557 PolarHBondContact O-N 3.5Å; D555-L558 PolarHBondContact O-N 3.45Å; D555-D559 PolarHBondContact O-N 2.91Å; D555-L608 WeakPolarHBondContact OD1-CD2 3.27Å
556	Q	90.2	Very high	90.6	Very high	76 Å²	76	34.1 Å²	34.1	36%	0.355	18%	0.182	S	C	.	.	H	α-helix	trans	-67.8	-34.7	-175.7	-64.8	-72.1	-13.6	0	0	112.5	K529 L530 A553 V554	K529-Q556 HydrophobicContact CB-CG 4.29Å; K529-Q556 HydrophobicContact CD-CG 4.49Å; L530-Q556 HydrophobicContact CD2-CB 3.57Å; A553-Q556 HydrophobicContact CB-CB 4.43Å; A553-Q556 HydrophobicContact CB-CG 4.35Å; A553-Q556 PolarHBondContact O-N 2.75Å; V554-Q556 PolarHBondContact O-N 3.49Å
557	L	92.3	Very high	89.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-74.7	-38.2	176.1	-166.6	66.4	0	0	0	111.5	A550 A553 V554 D555 D559 R560 C561 A623 A625 M633	A550-L557 HydrophobicContact CB-CD1 3.55Å; A553-L557 PolarHBondContact O-N 3.4Å; V554-L557 PolarHBondContact O-N 3.36Å; D555-L557 VanDerWaalsContact C-N 3.34Å; D555-L557 PolarHBondContact O-N 3.5Å; L557-D559 PolarHBondContact O-N 3.07Å; L557-R560 PolarHBondContact O-N 2.98Å; L557-C561 PolarHBondContact O-N 2.97Å; L557-C561 PolarHBondContact O-SG 2.97Å; L557-A623 HydrophobicContact CB-CB 4.12Å; L557-A623 VanDerWaalsContact CD2-C 3.4Å; L557-A623 HydrophobicContact CD2-CB 3.57Å; L557-A623 VanDerWaalsContact CD2-O 3.29Å; L557-A623 WeakPolarHBondContact CD2-O 3.27Å; L557-A623 HydrophobicContact CG-CB 4.42Å; L557-A625 HydrophobicContact CD1-CB 4.23Å; L557-A625 HydrophobicContact CD2-CB 3.77Å; L557-A625 HydrophobicContact CG-CB 4.06Å; L557-M633 HydrophobicContact CD1-CE 4.01Å
558	L	91.5	Very high	87.8	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-26.4	178	-75.8	175.5	0	0	0	113.3	V554 D555 R560 C561 M599 R604 I607 L608 F635	V554-L558 HydrophobicContact CG1-CD1 3.76Å; V554-L558 HydrophobicContact CG1-CG 4.32Å; V554-L558 WeakPolarHBondContact O-CB 3.26Å; V554-L558 VanDerWaalsContact O-CG 3.24Å; V554-L558 WeakPolarHBondContact O-CG 3.45Å; V554-L558 PolarHBondContact O-N 2.97Å; D555-L558 PolarHBondContact O-N 3.45Å; L558-R560 PolarHBondContact O-N 3.25Å; L558-C561 PolarHBondContact O-N 3.2Å; L558-M599 HydrophobicContact CD2-CE 3.91Å; L558-M599 HydrophobicContact CD2-SD 4.39Å; L558-R604 HydrophobicContact CD1-CG 4.41Å; L558-R604 PolarHBondContact O-NH2 2.89Å; L558-I607 HydrophobicContact CD1-CB 4.39Å; L558-I607 HydrophobicContact CD1-CG2 3.96Å; L558-I607 HydrophobicContact CD2-CD1 4.05Å; L558-I607 HydrophobicContact CD2-CG2 4.25Å; L558-L608 HydrophobicContact CD1-CD2 3.78Å; L558-L608 HydrophobicContact CD1-CG 4Å; L558-F635 HydrophobicContact CD2-CD2 3.88Å; L558-F635 HydrophobicContact CD2-CE2 4.28Å; L558-F635 HydrophobicContact CD2-CG 4.28Å
559	D	89.9	Confident	85.3	Confident	105 Å²	105	42.6 Å²	42.6	56%	0.561	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.1	173	-74.7	-21.4	0	0	0	112.8	D555 L557 R604	D555-D559 PolarHBondContact O-N 2.91Å; L557-D559 PolarHBondContact O-N 3.07Å; D559-R604 IonicContact OD1-NH2 3.74Å
560	R	90.7	Very high	82.4	Confident	71 Å²	71	46.9 Å²	46.9	27%	0.268	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	1.7	177.1	-62.5	177.7	173.4	-83.2	-7.6	113.4	L557 L558 S630 E631 M633	L557-R560 PolarHBondContact O-N 2.98Å; L558-R560 PolarHBondContact O-N 3.25Å; R560-S630 PolarHBondContact NH1-O 3.39Å; R560-E631 IonicContact CZ-OE1 3.98Å; R560-E631 IonicContact NH1-OE1 3.07Å; R560-E631 PolarHBondContact NH1-OE1 3.44Å; R560-E631 IonicContact NH2-OE1 3.78Å; R560-E631 CarbonylContact O-C 3.53Å; R560-M633 HydrophobicContact CB-CE 3.67Å; R560-M633 HydrophobicContact CG-CE 4.5Å; R560-M633 PolarHBondContact O-N 2.72Å
561	C	91.3	Very high	79.2	Confident	7 Å²	7	51.6 Å²	51.6	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.5	-179.1	-71.2	0	0	0	0	110.9	L557 L558 M599 M633 F635	L557-C561 PolarHBondContact O-N 2.97Å; L557-C561 PolarHBondContact O-SG 2.97Å; L558-C561 PolarHBondContact O-N 3.2Å; C561-M599 HydrophobicContact CB-CE 4.14Å; C561-M633 CarbonylContact C-O 3.54Å; C561-M633 VanDerWaalsContact CA-O 3.27Å; C561-M633 WeakPolarHBondContact CA-O 3.35Å; C561-F635 HydrophobicContact CB-CB 4.28Å
562	A	89	Confident	76	Confident	34 Å²	34	58.3 Å²	58.3	28%	0.281	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-20	173	0	0	0	0	0	112.3	M599 Q632 M633	A562-M599 WeakPolarHBondContact O-CB 3.37Å; A562-M599 PolarHBondContact O-N 2.74Å; A562-Q632 HydrophobicContact CB-CB 4.11Å; A562-Q632 HydrophobicContact CB-CG 4.28Å; A562-M633 PolarHBondContact N-O 3.41Å
563	F	91.1	Very high	72.7	Confident	80 Å²	80	63.5 Å²	63.5	35%	0.351	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	163.9	-174.2	-51.2	-85	0	0	0	112.8	I596 K597 M599 M633 I634 F635	F563-I596 HydrophobicContact CB-CG2 3.3Å; F563-I596 HydrophobicContact CD1-CG2 3.64Å; F563-I596 HydrophobicContact CG-CG2 3.61Å; F563-K597 CarbonylContact C-O 3.07Å; F563-K597 VanDerWaalsContact CA-O 3.3Å; F563-K597 WeakPolarHBondContact CA-O 3.3Å; F563-M599 WeakPolarHBondContact O-CE 3.28Å; F563-M633 PolarHBondContact N-O 3.28Å; F563-I634 HydrophobicContact CB-CG1 4.17Å; F563-I634 HydrophobicContact CB-CG2 4.32Å; F563-I634 HydrophobicContact CD2-CG1 4.41Å; F563-I634 CarbonylContact O-C 3.22Å; F563-I634 WeakPolarHBondContact O-CA 3.49Å; F563-F635 PolarHBondContact O-N 3.09Å
564	T	90.6	Very high	69.7	Low	3 Å²	3	70.9 Å²	70.9	2%	0.018	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.1	169.2	-172.2	0	0	0	0	110.6	G382 K597 T603 F635	G382-T564 PolarHBondContact O-OG1 2.91Å; T564-K597 HydrophobicContact CG2-CB 3.77Å; T564-K597 HydrophobicContact CG2-CD 4.43Å; T564-K597 HydrophobicContact CG2-CG 4.46Å; T564-K597 PolarHBondContact N-O 2.86Å; T564-K597 PolarHBondContact O-N 3Å; T564-T603 HydrophobicContact CG2-CG2 3.89Å; T564-F635 WeakPolarHBondContact CA-O 3.23Å
565	S	86.7	Confident	66.5	Low	6 Å²	6	79.1 Å²	79.1	4%	0.042	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.5	175.6	73.4	0	0	0	0	111.9	G382 S383 F635 H636	G382-S565 CarbonylContact C-O 3.57Å; G382-S565 VanDerWaalsContact CA-O 3.26Å; G382-S565 WeakPolarHBondContact CA-O 3.31Å; S383-S565 PolarHBondContact N-O 2.96Å; S565-F635 PolarHBondContact N-O 3.27Å; S565-H636 PolarHBondContact OG-ND1 3.26Å
566	L	79.9	Confident	63.5	Low	64 Å²	64	79.5 Å²	79.5	34%	0.335	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-96.1	147	170.1	-68.5	149.4	0	0	0	111	S595 K597	L566-S595 VanDerWaalsContact CB-O 3.26Å; L566-S595 WeakPolarHBondContact CB-O 3.36Å; L566-S595 WeakPolarHBondContact CB-OG 3.34Å; L566-S595 PolarHBondContact N-O 3.24Å; L566-K597 HydrophobicContact CD1-CB 3.84Å; L566-K597 HydrophobicContact CG-CB 4.29Å
567	S	64.7	Low	60.4	Low	14 Å²	14	81.4 Å²	81.4	10%	0.098	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-74.2	136.9	166	47.9	0	0	0	0	109.4	S383 E385 D569	S383-S567 WeakPolarHBondContact CB-OG 3.22Å; S383-S567 WeakPolarHBondContact OG-CB 3.36Å; S383-S567 PolarHBondContact OG-OG 2.83Å; E385-S567 VanDerWaalsContact CD-OG 3.28Å; E385-S567 WeakPolarHBondContact OE1-CB 3.37Å; E385-S567 PolarHBondContact OE1-OG 3.42Å; E385-S567 PolarHBondContact OE2-OG 3.1Å; S567-D569 PolarHBondContact O-N 3.34Å
568	N	53	Low	57.4	Low	117 Å²	117	87.5 Å²	87.5	63%	0.626	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	19.6	-171.7	-96.6	0.8	0	0	0	115.5	S595	N568-S595 PolarHBondContact OD1-OG 3.36Å
569	D	41	Very low	54.3	Low	155 Å²	155	92.3 Å²	92.3	83%	0.829	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	9.2	-176.4	-85.5	-23.4	0	0	0	115	S567	S567-D569 PolarHBondContact O-N 3.34Å
570	S	33	Very low	51.4	Low	92 Å²	92	95.2 Å²	95.2	64%	0.643	56%	0.558	S	S	*	*			trans	-99.3	24	-177.4	-39.7	0	0	0	0	115.9	I572	S570-I572 PolarHBondContact O-N 3.37Å
571	A	27.7	Very low	48.3	Very low	100 Å²	100	96.7 Å²	96.7	83%	0.826	58%	0.579	S	S	*	*			trans	-98.8	61.7	176	0	0	0	0	0	112.5
572	I	27.8	Very low	45.2	Very low	154 Å²	154	105.3 Å²	105.3	79%	0.79	62%	0.619	S	S	*	*			trans	-134.5	123.8	160.8	-58.5	179.1	0	0	0	108.1	S570	S570-I572 PolarHBondContact O-N 3.37Å
573	S	24.9	Very low	42.4	Very low	112 Å²	112	109.6 Å²	109.6	78%	0.783	65%	0.646	S	S	*	*			trans	86.5	129.5	-179.8	82.1	0	0	0	0	114.8
574	M	26.2	Very low	39.3	Very low	184 Å²	184	114 Å²	114	91%	0.906	67%	0.667	S	S	*	*			cis	-147.5	157.8	18.9	-81.8	-146.2	-139.3	0	0	112.8
575	Q	25.2	Very low	36.1	Very low	185 Å²	185	121.4 Å²	121.4	86%	0.864	70%	0.704	S	S	*	*			trans	-64.6	138.6	171.1	-65.4	162.9	-28.1	0	0	112.8
576	S	26.3	Very low	33.2	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	75%	0.748	S	S	*	*				167.3	131.1	116.1	47.2	0	0	0	0	114.4
577	S	26.6	Very low	30.6	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	77%	0.767	S	S	*	*			trans	76.2	124.2	149.4	-50.9	0	0	0	0	121.3
578	P	29.4	Very low	28.7	Very low	127 Å²	127	138.4 Å²	138.4	83%	0.825	80%	0.801	S	S	*	*			trans	-106.6	124.1	173	36.1	-23.8	0	0	0	112.5
579	S	25.3	Very low	27.4	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	81%	0.814	S	S	*	*			trans	178.8	102.1	152.2	47.8	0	0	0	0	110.1
580	D	30	Very low	26.7	Very low	165 Å²	165	142.4 Å²	142.4	88%	0.882	81%	0.813	S	S	*	*				173.8	131.2	114.3	-86.9	-18.6	0	0	0	111.5
581	S	25	Very low	26.8	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	81%	0.812	S	S	*	*			trans	-81.3	126	-174.1	40.8	0	0	0	0	112.9
582	H	25.9	Very low	27.2	Very low	189 Å²	189	145.8 Å²	145.8	88%	0.875	82%	0.817	S	S	*	*			trans	175.2	106.6	134.1	-103.4	39.9	0	0	0	111.6
583	S	29.2	Very low	27.8	Very low	124 Å²	124	143.3 Å²	143.3	87%	0.867	81%	0.806	S	S	*	*				178.3	128.6	127.4	56.9	0	0	0	0	111.1
584	H	25.9	Very low	29.1	Very low	171 Å²	171	140.2 Å²	140.2	79%	0.792	78%	0.784	S	S	*	*			trans	-57.2	142.2	-178.6	-96.4	-115	0	0	0	115.2
585	M	23.5	Very low	31.1	Very low	160 Å²	160	133.6 Å²	133.6	79%	0.788	76%	0.756	S	S	*	*			trans	62.5	105.1	134.6	-61.4	-169	79.8	0	0	119.3
586	L	26.8	Very low	33.6	Very low	184 Å²	184	128 Å²	128	96%	0.963	73%	0.731	S	S	*	*				-176.8	79.8	125.8	-94.4	154.1	0	0	0	108.6
587	S	25.5	Very low	36.4	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	71%	0.71	S	S	*	*			trans	-117.4	101.3	168.8	59.4	0	0	0	0	108.7
588	N	25.3	Very low	39.3	Very low	151 Å²	151	124.7 Å²	124.7	81%	0.807	70%	0.697	S	S	*	*			trans	159.5	97.5	138.2	-83.4	-17.5	0	0	0	110.3
589	R	24.2	Very low	42	Very low	240 Å²	240	120 Å²	120	91%	0.906	66%	0.664	S	S	*	*	S	Bend		172.7	128.3	123.5	-93.3	161.4	-177.8	-164.3	0.2	110.4
590	S	28.1	Very low	45	Very low	116 Å²	116	117.9 Å²	117.9	81%	0.811	65%	0.645	S	S	*	*			trans	65.7	109.4	166.4	-63.2	0	0	0	0	117.7
591	S	33.6	Very low	47.8	Very low	87 Å²	87	115.9 Å²	115.9	61%	0.608	63%	0.633	S	S	*	*			trans	-170	118.3	141.1	-91	0	0	0	0	112.9	N593	S591-N593 WeakPolarHBondContact CB-OD1 3.21Å; S591-N593 PolarHBondContact O-N 3.25Å; S591-N593 PolarHBondContact OG-OD1 2.85Å
592	N	36.5	Very low	50.9	Low	176 Å²	176	118.5 Å²	118.5	94%	0.941	63%	0.634	S	S	*	*			trans	-63.9	65.9	142.5	-83.6	-14.5	0	0	0	108.2	S594	N592-S594 PolarHBondContact O-N 3.37Å
593	N	40.5	Very low	53.9	Low	103 Å²	103	110.2 Å²	110.2	55%	0.551	60%	0.597	S	S	*	*			trans	-73.9	100	-177.1	-103	-10.4	0	0	0	108.3	S591 S595	S591-N593 WeakPolarHBondContact CB-OD1 3.21Å; S591-N593 PolarHBondContact O-N 3.25Å; S591-N593 PolarHBondContact OG-OD1 2.85Å; N593-S595 PolarHBondContact O-N 2.92Å
594	S	52	Low	56.9	Low	47 Å²	47	107.9 Å²	107.9	33%	0.329	57%	0.569	S	S	.	*			trans	-41.8	127.1	143	49.4	0	0	0	0	107.5	N592 I596	N592-S594 PolarHBondContact O-N 3.37Å; S594-I596 WeakPolarHBondContact O-CG1 3.43Å; S594-I596 PolarHBondContact O-N 3.25Å; S594-I596 VanDerWaalsContact O-N 3.1Å
595	S	68.1	Low	60	Low	44 Å²	44	106.2 Å²	106.2	31%	0.308	56%	0.56	S	S	.	*			trans	-63.2	114	-179.4	30.7	0	0	0	0	109.1	L566 N568 N593	L566-S595 VanDerWaalsContact CB-O 3.26Å; L566-S595 WeakPolarHBondContact CB-O 3.36Å; L566-S595 WeakPolarHBondContact CB-OG 3.34Å; L566-S595 PolarHBondContact N-O 3.24Å; N568-S595 PolarHBondContact OD1-OG 3.36Å; N593-S595 PolarHBondContact O-N 2.92Å
596	I	78.8	Confident	63.3	Low	67 Å²	67	100.3 Å²	100.3	34%	0.344	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129	-176.5	-61.9	166.5	0	0	0	108.4	F563 S594 I634	F563-I596 HydrophobicContact CB-CG2 3.3Å; F563-I596 HydrophobicContact CD1-CG2 3.64Å; F563-I596 HydrophobicContact CG-CG2 3.61Å; S594-I596 WeakPolarHBondContact O-CG1 3.43Å; S594-I596 PolarHBondContact O-N 3.25Å; S594-I596 VanDerWaalsContact O-N 3.1Å; I596-I634 HydrophobicContact CD1-CD1 3.68Å; I596-I634 HydrophobicContact CG1-CD1 4.25Å
597	K	85.2	Confident	66.5	Low	73 Å²	73	91.6 Å²	91.6	32%	0.317	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.6	173.6	-174.1	-170.9	176.9	-164	0	110.2	F563 T564 L566 D600 T603	F563-K597 CarbonylContact C-O 3.07Å; F563-K597 VanDerWaalsContact CA-O 3.3Å; F563-K597 WeakPolarHBondContact CA-O 3.3Å; T564-K597 HydrophobicContact CG2-CB 3.77Å; T564-K597 HydrophobicContact CG2-CD 4.43Å; T564-K597 HydrophobicContact CG2-CG 4.46Å; T564-K597 PolarHBondContact N-O 2.86Å; T564-K597 PolarHBondContact O-N 3Å; L566-K597 HydrophobicContact CD1-CB 3.84Å; L566-K597 HydrophobicContact CG-CB 4.29Å; K597-D600 WeakPolarHBondContact CE-OD2 3.37Å; K597-D600 IonicContact NZ-OD2 2.82Å; K597-D600 PolarHBondContact NZ-OD2 2.94Å; K597-T603 PolarHBondContact NZ-OG1 2.92Å
598	P	86.7	Confident	69.7	Low	83 Å²	83	89.4 Å²	89.4	54%	0.539	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	143.5	172.7	19.2	-25	0	0	0	111.8	D600	P598-D600 VanDerWaalsContact C-N 3.33Å; P598-D600 PolarHBondContact O-N 3.48Å
599	M	85.9	Confident	73	Confident	28 Å²	28	87 Å²	87	14%	0.138	46%	0.457	C	S	.	.			trans	-77.1	81	-179.1	-170	66.6	70.4	0	0	110.5	L558 C561 A562 F563 T603 R604 I607 F635	L558-M599 HydrophobicContact CD2-CE 3.91Å; L558-M599 HydrophobicContact CD2-SD 4.39Å; C561-M599 HydrophobicContact CB-CE 4.14Å; A562-M599 WeakPolarHBondContact O-CB 3.37Å; A562-M599 PolarHBondContact O-N 2.74Å; F563-M599 WeakPolarHBondContact O-CE 3.28Å; M599-T603 HydrophobicContact SD-CG2 4.06Å; M599-R604 HydrophobicContact CG-CB 4.48Å; M599-R604 HydrophobicContact SD-CB 4.32Å; M599-I607 HydrophobicContact CE-CD1 3.85Å; M599-I607 HydrophobicContact SD-CD1 3.84Å; M599-F635 HydrophobicContact CE-CB 3.69Å; M599-F635 HydrophobicContact CE-CG 4.29Å
600	D	88.8	Confident	76.2	Confident	60 Å²	60	77.4 Å²	77.4	32%	0.321	42%	0.423	S	S	.	.			trans	-73.8	164.5	172.4	62.5	33.2	0	0	0	112	K597 P598 E602 T603 R604	K597-D600 WeakPolarHBondContact CE-OD2 3.37Å; K597-D600 IonicContact NZ-OD2 2.82Å; K597-D600 PolarHBondContact NZ-OD2 2.94Å; P598-D600 VanDerWaalsContact C-N 3.33Å; P598-D600 PolarHBondContact O-N 3.48Å; D600-E602 PolarHBondContact O-N 2.88Å; D600-E602 PolarHBondContact OD1-N 2.79Å; D600-T603 VanDerWaalsContact CG-OG1 3.3Å; D600-T603 PolarHBondContact O-N 3.29Å; D600-T603 WeakPolarHBondContact OD1-CA 3.2Å; D600-T603 WeakPolarHBondContact OD1-CB 3.29Å; D600-T603 PolarHBondContact OD1-N 2.92Å; D600-T603 PolarHBondContact OD1-OG1 3.44Å; D600-T603 PolarHBondContact OD2-OG1 3.13Å; D600-R604 PolarHBondContact O-N 3.35Å
601	L	88.2	Confident	79.2	Confident	123 Å²	123	72.5 Å²	72.5	64%	0.644	39%	0.389	S	S	*	.	H	α-helix	trans	-60.1	-31.7	-178	-171.9	70.9	0	0	0	112.3	K605	L601-K605 WeakPolarHBondContact O-CB 3.38Å; L601-K605 WeakPolarHBondContact O-CG 3.43Å; L601-K605 PolarHBondContact O-N 3.29Å
602	E	90	Very high	81.8	Confident	157 Å²	157	71.1 Å²	71.1	73%	0.734	38%	0.38	S	S	*	.	H	α-helix	trans	-72.8	-45.8	-179.2	-169.4	172.3	-170.6	0	0	111.5	D600 K605 A606	D600-E602 PolarHBondContact O-N 2.88Å; D600-E602 PolarHBondContact OD1-N 2.79Å; E602-K605 PolarHBondContact O-N 3.28Å; E602-A606 WeakPolarHBondContact O-CB 3.23Å; E602-A606 PolarHBondContact O-N 3.27Å
603	T	89.5	Confident	84.3	Confident	15 Å²	15	65.3 Å²	65.3	9%	0.092	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-43.7	174.9	-54.3	0	0	0	0	110.4	T564 K597 M599 D600 K605 A606 I607	T564-T603 HydrophobicContact CG2-CG2 3.89Å; K597-T603 PolarHBondContact NZ-OG1 2.92Å; M599-T603 HydrophobicContact SD-CG2 4.06Å; D600-T603 VanDerWaalsContact CG-OG1 3.3Å; D600-T603 PolarHBondContact O-N 3.29Å; D600-T603 WeakPolarHBondContact OD1-CA 3.2Å; D600-T603 WeakPolarHBondContact OD1-CB 3.29Å; D600-T603 PolarHBondContact OD1-N 2.92Å; D600-T603 PolarHBondContact OD1-OG1 3.44Å; D600-T603 PolarHBondContact OD2-OG1 3.13Å; T603-K605 PolarHBondContact O-N 3.43Å; T603-A606 PolarHBondContact O-N 2.97Å; T603-I607 HydrophobicContact CG2-CD1 4.14Å; T603-I607 WeakPolarHBondContact O-CG1 3.18Å; T603-I607 PolarHBondContact O-N 3.09Å
604	R	92.1	Very high	86.6	Confident	76 Å²	76	60.4 Å²	60.4	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-58.6	-47.2	174.2	179.4	177.6	-82.8	172.6	-8.1	111.3	L558 D559 M599 D600 A606 I607 L608	L558-R604 HydrophobicContact CD1-CG 4.41Å; L558-R604 PolarHBondContact O-NH2 2.89Å; D559-R604 IonicContact OD1-NH2 3.74Å; M599-R604 HydrophobicContact CG-CB 4.48Å; M599-R604 HydrophobicContact SD-CB 4.32Å; D600-R604 PolarHBondContact O-N 3.35Å; R604-A606 VanDerWaalsContact C-N 3.32Å; R604-A606 PolarHBondContact O-N 3.23Å; R604-I607 PolarHBondContact O-N 3.41Å; R604-L608 HydrophobicContact CG-CD1 4.16Å; R604-L608 WeakPolarHBondContact O-CG 3.15Å; R604-L608 PolarHBondContact O-N 2.83Å
605	K	92	Very high	88	Confident	136 Å²	136	59.4 Å²	59.4	59%	0.591	32%	0.319	S	S	*	.	H	α-helix	trans	-61.5	-39.4	176.3	-80.7	-179.7	179.3	-179.1	0	112.4	L601 E602 T603 L608 N609	L601-K605 WeakPolarHBondContact O-CB 3.38Å; L601-K605 WeakPolarHBondContact O-CG 3.43Å; L601-K605 PolarHBondContact O-N 3.29Å; E602-K605 PolarHBondContact O-N 3.28Å; T603-K605 PolarHBondContact O-N 3.43Å; K605-L608 PolarHBondContact O-N 2.89Å; K605-N609 WeakPolarHBondContact O-CB 3.23Å; K605-N609 PolarHBondContact O-N 2.68Å
606	A	92.7	Very high	88.6	Confident	36 Å²	36	62.7 Å²	62.7	30%	0.298	33%	0.333	S	S	.	.	H	α-helix	trans	-64.1	-43.9	178.1	0	0	0	0	0	112	L384 E602 T603 R604 N609 E610	L384-A606 HydrophobicContact CD1-CB 3.74Å; E602-A606 WeakPolarHBondContact O-CB 3.23Å; E602-A606 PolarHBondContact O-N 3.27Å; T603-A606 PolarHBondContact O-N 2.97Å; R604-A606 VanDerWaalsContact C-N 3.32Å; R604-A606 PolarHBondContact O-N 3.23Å; A606-N609 PolarHBondContact O-N 2.99Å; A606-E610 PolarHBondContact O-N 2.82Å
607	I	93.1	Very high	88.7	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-44	175.7	-64.4	163.6	0	0	0	110.9	L384 V554 L558 M599 T603 R604 N609 E610 A611 F635 L638	L384-I607 HydrophobicContact CD2-CG1 3.95Å; V554-I607 HydrophobicContact CG1-CG2 4.37Å; L558-I607 HydrophobicContact CD1-CB 4.39Å; L558-I607 HydrophobicContact CD1-CG2 3.96Å; L558-I607 HydrophobicContact CD2-CD1 4.05Å; L558-I607 HydrophobicContact CD2-CG2 4.25Å; M599-I607 HydrophobicContact CE-CD1 3.85Å; M599-I607 HydrophobicContact SD-CD1 3.84Å; T603-I607 HydrophobicContact CG2-CD1 4.14Å; T603-I607 WeakPolarHBondContact O-CG1 3.18Å; T603-I607 PolarHBondContact O-N 3.09Å; R604-I607 PolarHBondContact O-N 3.41Å; I607-N609 VanDerWaalsContact C-N 3.32Å; I607-N609 PolarHBondContact O-N 2.84Å; I607-E610 PolarHBondContact O-N 3.49Å; I607-A611 PolarHBondContact O-N 2.85Å; I607-F635 HydrophobicContact CD1-CD1 3.72Å; I607-F635 HydrophobicContact CD1-CE1 3.73Å; I607-F635 HydrophobicContact CD1-CG 4.26Å; I607-F635 HydrophobicContact CD1-CZ 4.28Å; I607-F635 HydrophobicContact CG1-CD1 4.5Å; I607-F635 HydrophobicContact CG1-CE1 4.02Å; I607-F635 HydrophobicContact CG1-CZ 4.41Å; I607-F635 HydrophobicContact CG2-CE1 4.06Å; I607-F635 HydrophobicContact CG2-CE2 4.06Å; I607-F635 HydrophobicContact CG2-CZ 3.59Å; I607-L638 HydrophobicContact CG2-CD1 4.31Å; I607-L638 HydrophobicContact CG2-CD2 4.2Å; I607-L638 HydrophobicContact CG2-CG 4.46Å
608	L	93.4	Very high	88.3	Confident	58 Å²	58	59.4 Å²	59.4	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-38.1	177.6	-71.2	174.6	0	0	0	112.4	V554 D555 L558 R604 K605 A611 S612	V554-L608 HydrophobicContact CG1-CD2 4.08Å; D555-L608 WeakPolarHBondContact OD1-CD2 3.27Å; L558-L608 HydrophobicContact CD1-CD2 3.78Å; L558-L608 HydrophobicContact CD1-CG 4Å; R604-L608 HydrophobicContact CG-CD1 4.16Å; R604-L608 WeakPolarHBondContact O-CG 3.15Å; R604-L608 PolarHBondContact O-N 2.83Å; K605-L608 PolarHBondContact O-N 2.89Å; L608-A611 PolarHBondContact O-N 3.33Å; L608-S612 PolarHBondContact O-N 3.24Å
609	N	93.3	Very high	88.2	Confident	101 Å²	101	56 Å²	56	54%	0.54	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-43.2	174.9	-166.2	28.1	0	0	0	110.9	K605 A606 I607 S612 I613	K605-N609 WeakPolarHBondContact O-CB 3.23Å; K605-N609 PolarHBondContact O-N 2.68Å; A606-N609 PolarHBondContact O-N 2.99Å; I607-N609 VanDerWaalsContact C-N 3.32Å; I607-N609 PolarHBondContact O-N 2.84Å; N609-S612 WeakPolarHBondContact O-CB 3.38Å; N609-S612 PolarHBondContact O-N 3Å; N609-S612 VanDerWaalsContact O-N 3.16Å; N609-I613 WeakPolarHBondContact O-CG1 3.48Å; N609-I613 PolarHBondContact O-N 3.32Å
610	E	92.3	Very high	88.2	Confident	39 Å²	39	59.1 Å²	59.1	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-39.9	175.3	-83.4	-55.5	160.1	0	0	113.4	L384 R386 A606 I607 S612 I613 L614 L638	L384-E610 HydrophobicContact CD2-CB 4.48Å; L384-E610 HydrophobicContact CD2-CG 4.2Å; R386-E610 IonicContact CZ-OE2 3.29Å; R386-E610 IonicContact NE-OE2 2.69Å; R386-E610 IonicContact NH2-OE1 3.91Å; R386-E610 IonicContact NH2-OE2 3.88Å; R386-E610 PolarHBondContact NH2-OE2 3.27Å; A606-E610 PolarHBondContact O-N 2.82Å; I607-E610 PolarHBondContact O-N 3.49Å; E610-S612 VanDerWaalsContact C-N 3.28Å; E610-S612 PolarHBondContact O-N 3.46Å; E610-I613 PolarHBondContact O-N 2.98Å; E610-L614 WeakPolarHBondContact O-CG 3.47Å; E610-L614 PolarHBondContact O-N 3.37Å; E610-L638 HydrophobicContact CB-CD1 4.28Å
611	A	90.9	Very high	88.3	Confident	13 Å²	13	57.5 Å²	57.5	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-40.3	171.7	0	0	0	0	0	111.7	V554 I607 L608 L614 G615 V621 L638	V554-A611 HydrophobicContact CB-CB 4.34Å; V554-A611 HydrophobicContact CG1-CB 3.97Å; V554-A611 HydrophobicContact CG2-CB 3.98Å; I607-A611 PolarHBondContact O-N 2.85Å; L608-A611 PolarHBondContact O-N 3.33Å; A611-L614 PolarHBondContact O-N 2.96Å; A611-G615 PolarHBondContact O-N 3.29Å; A611-V621 HydrophobicContact CB-CG1 4.23Å; A611-L638 HydrophobicContact CB-CD1 3.85Å
612	S	88.4	Confident	88.5	Confident	58 Å²	58	52.5 Å²	52.5	41%	0.406	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-40.8	174.8	-177.8	0	0	0	0	112	L608 N609 E610 G615 N616	L608-S612 PolarHBondContact O-N 3.24Å; N609-S612 WeakPolarHBondContact O-CB 3.38Å; N609-S612 PolarHBondContact O-N 3Å; N609-S612 VanDerWaalsContact O-N 3.16Å; E610-S612 VanDerWaalsContact C-N 3.28Å; E610-S612 PolarHBondContact O-N 3.46Å; S612-G615 PolarHBondContact O-N 2.84Å; S612-N616 WeakPolarHBondContact O-CB 3.48Å; S612-N616 PolarHBondContact O-N 3.29Å; S612-N616 PolarHBondContact O-ND2 3.38Å
613	I	89.1	Confident	88.8	Confident	54 Å²	54	45 Å²	45	28%	0.277	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-46.4	175.9	-64.2	165.3	0	0	0	110.6	N609 E610 G615 N616 L617	N609-I613 WeakPolarHBondContact O-CG1 3.48Å; N609-I613 PolarHBondContact O-N 3.32Å; E610-I613 PolarHBondContact O-N 2.98Å; I613-G615 VanDerWaalsContact C-N 3.32Å; I613-G615 PolarHBondContact O-N 3.39Å; I613-N616 PolarHBondContact O-N 3.24Å; I613-L617 WeakPolarHBondContact O-CG 3.26Å; I613-L617 PolarHBondContact O-N 2.97Å
614	L	88.2	Confident	89.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-40	175.5	-66.6	177.8	0	0	0	111.9	H378 V380 E610 A611 L617 L619 V621 L638	H378-L614 HydrophobicContact CB-CD2 3.83Å; V380-L614 HydrophobicContact CG2-CD1 3.89Å; V380-L614 HydrophobicContact CG2-CD2 4.46Å; V380-L614 HydrophobicContact CG2-CG 4.48Å; E610-L614 WeakPolarHBondContact O-CG 3.47Å; E610-L614 PolarHBondContact O-N 3.37Å; A611-L614 PolarHBondContact O-N 2.96Å; L614-L617 HydrophobicContact CD2-CD1 4.48Å; L614-L617 WeakPolarHBondContact O-CB 3.45Å; L614-L617 PolarHBondContact O-N 2.75Å; L614-L619 HydrophobicContact CB-CD1 4.26Å; L614-L619 HydrophobicContact CD2-CD1 3.87Å; L614-L619 VanDerWaalsContact O-CB 3.27Å; L614-L619 WeakPolarHBondContact O-CB 3.31Å; L614-L619 WeakPolarHBondContact O-CG 3.27Å; L614-L619 PolarHBondContact O-N 3.02Å; L614-V621 HydrophobicContact CB-CG2 3.51Å; L614-V621 HydrophobicContact CD1-CG1 4.1Å; L614-V621 HydrophobicContact CD1-CG2 4.43Å; L614-L638 HydrophobicContact CD1-CB 4.12Å; L614-L638 HydrophobicContact CD1-CD1 4.27Å
615	G	82.1	Confident	89.2	Confident	26 Å²	26	40.8 Å²	40.8	27%	0.268	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-41.5	174.5	0	0	0	0	0	112.8	A611 S612 I613 L617 G618	A611-G615 PolarHBondContact O-N 3.29Å; S612-G615 PolarHBondContact O-N 2.84Å; I613-G615 VanDerWaalsContact C-N 3.32Å; I613-G615 PolarHBondContact O-N 3.39Å; G615-L617 PolarHBondContact O-N 3.11Å; G615-G618 WeakPolarHBondContact O-CA 3.48Å; G615-G618 PolarHBondContact O-N 3.45Å
616	N	80.6	Confident	89.2	Confident	113 Å²	113	36.6 Å²	36.6	60%	0.604	20%	0.203	S	C	*	.	H	α-helix	trans	-67.2	-22.6	175.6	-69.7	-23.1	0	0	0	112.7	S612 I613 G618	S612-N616 WeakPolarHBondContact O-CB 3.48Å; S612-N616 PolarHBondContact O-N 3.29Å; S612-N616 PolarHBondContact O-ND2 3.38Å; I613-N616 PolarHBondContact O-N 3.24Å; N616-G618 PolarHBondContact O-N 3Å
617	L	81	Confident	89.1	Confident	65 Å²	65	35.3 Å²	35.3	34%	0.34	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	12.9	167.5	-65.7	170.7	0	0	0	112.7	I613 L614 G615 L619 T676	I613-L617 WeakPolarHBondContact O-CG 3.26Å; I613-L617 PolarHBondContact O-N 2.97Å; L614-L617 HydrophobicContact CD2-CD1 4.48Å; L614-L617 WeakPolarHBondContact O-CB 3.45Å; L614-L617 PolarHBondContact O-N 2.75Å; G615-L617 PolarHBondContact O-N 3.11Å; L617-L619 HydrophobicContact CB-CD1 4.11Å; L617-L619 HydrophobicContact CB-CG 4.02Å; L617-L619 PolarHBondContact O-N 3.18Å; L617-T676 VanDerWaalsContact C-CG2 3.5Å; L617-T676 WeakPolarHBondContact O-CG2 3.39Å
618	G	76.1	Confident	88.8	Confident	6 Å²	6	39.4 Å²	39.4	6%	0.062	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	19.2	178.4	0	0	0	0	0	114.2	G615 N616 T676	G615-G618 WeakPolarHBondContact O-CA 3.48Å; G615-G618 PolarHBondContact O-N 3.45Å; N616-G618 PolarHBondContact O-N 3Å; G618-T676 WeakPolarHBondContact CA-OG1 3.24Å; G618-T676 PolarHBondContact N-OG1 3.28Å
619	L	84.6	Confident	88.5	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.052	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-91	140.7	-177.5	-50.5	175	0	0	0	110.4	S377 H378 L614 L617 V621 L641 I642	S377-L619 WeakPolarHBondContact OG-CD2 3.46Å; H378-L619 HydrophobicContact CB-CD1 4.1Å; H378-L619 VanDerWaalsContact ND1-CD1 3.27Å; H378-L619 WeakPolarHBondContact ND1-CD1 3.4Å; L614-L619 HydrophobicContact CB-CD1 4.26Å; L614-L619 HydrophobicContact CD2-CD1 3.87Å; L614-L619 VanDerWaalsContact O-CB 3.27Å; L614-L619 WeakPolarHBondContact O-CB 3.31Å; L614-L619 WeakPolarHBondContact O-CG 3.27Å; L614-L619 PolarHBondContact O-N 3.02Å; L617-L619 HydrophobicContact CB-CD1 4.11Å; L617-L619 HydrophobicContact CB-CG 4.02Å; L617-L619 PolarHBondContact O-N 3.18Å; L619-V621 PolarHBondContact O-N 3Å; L619-L641 CarbonylContact C-O 3.49Å; L619-L641 WeakPolarHBondContact CA-O 3.18Å; L619-I642 HydrophobicContact CD2-CB 3.81Å; L619-I642 HydrophobicContact CD2-CD1 4.02Å; L619-I642 HydrophobicContact CD2-CG1 4.19Å
620	R	85.6	Confident	88	Confident	95 Å²	95	36.4 Å²	36.4	36%	0.358	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	118	164.3	-175.4	175.7	-175.7	159.2	4.3	107.4	E181 M374 T496 L641	E181-R620 IonicContact OE2-CZ 2.64Å; E181-R620 IonicContact OE2-NH1 3.65Å; E181-R620 PolarHBondContact OE2-NH1 3.05Å; E181-R620 IonicContact OE2-NH2 3.89Å; E181-R620 PolarHBondContact OE2-NH2 3.46Å; M374-R620 HydrophobicContact CE-CB 4.04Å; T496-R620 PolarHBondContact OG1-NH1 2.72Å; R620-L641 HydrophobicContact CB-CB 4.36Å; R620-L641 PolarHBondContact N-O 3.15Å; R620-L641 VanDerWaalsContact O-CD1 3.3Å; R620-L641 WeakPolarHBondContact O-CD1 3.42Å; R620-L641 PolarHBondContact O-N 2.9Å
621	V	90.7	Very high	87.5	Confident	25 Å²	25	40 Å²	40	15%	0.152	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.8	-175.4	-170	0	0	0	0	110.4	V554 A611 L614 L619 L638 V639	V554-V621 HydrophobicContact CG2-CB 4.38Å; V554-V621 HydrophobicContact CG2-CG1 3.84Å; A611-V621 HydrophobicContact CB-CG1 4.23Å; L614-V621 HydrophobicContact CB-CG2 3.51Å; L614-V621 HydrophobicContact CD1-CG1 4.1Å; L614-V621 HydrophobicContact CD1-CG2 4.43Å; L619-V621 PolarHBondContact O-N 3Å; V621-L638 HydrophobicContact CG1-CB 4.12Å; V621-L638 HydrophobicContact CG1-CD1 4.35Å; V621-L638 HydrophobicContact CG1-CD2 4.32Å; V621-V639 WeakPolarHBondContact CA-O 3.32Å
622	L	93.2	Very high	87.3	Confident	19 Å²	19	45 Å²	45	10%	0.099	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.6	171.4	-66.9	176.9	0	0	0	110.4	T496 L500 L638 V639 L641	T496-L622 HydrophobicContact CG2-CD1 3.51Å; T496-L622 HydrophobicContact CG2-CG 4.48Å; L500-L622 HydrophobicContact CD1-CD1 4.4Å; L622-L638 CarbonylContact O-C 3.4Å; L622-L638 VanDerWaalsContact O-CA 3.25Å; L622-L638 WeakPolarHBondContact O-CA 2.97Å; L622-V639 PolarHBondContact N-O 2.74Å; L622-V639 PolarHBondContact O-N 2.76Å; L622-L641 HydrophobicContact CB-CD1 4.29Å; L622-L641 HydrophobicContact CD1-CD1 3.63Å; L622-L641 HydrophobicContact CG-CD1 3.74Å
623	A	95.5	Very high	87.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.8	167.2	0	0	0	0	0	110.4	K551 G552 V554 L557 F635 L638	K551-A623 VanDerWaalsContact CA-O 3.31Å; K551-A623 WeakPolarHBondContact CA-O 3.48Å; G552-A623 PolarHBondContact N-O 3.09Å; G552-A623 PolarHBondContact O-N 3.2Å; V554-A623 HydrophobicContact CB-CB 4.4Å; V554-A623 HydrophobicContact CG1-CB 4.46Å; V554-A623 HydrophobicContact CG2-CB 4.21Å; L557-A623 HydrophobicContact CB-CB 4.12Å; L557-A623 VanDerWaalsContact CD2-C 3.4Å; L557-A623 HydrophobicContact CD2-CB 3.57Å; L557-A623 VanDerWaalsContact CD2-O 3.29Å; L557-A623 WeakPolarHBondContact CD2-O 3.27Å; L557-A623 HydrophobicContact CG-CB 4.42Å; A623-F635 HydrophobicContact CB-CE2 3.9Å; A623-L638 HydrophobicContact CB-CD2 3.94Å
624	L	95.4	Very high	87.6	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136	175.5	-62.5	99.4	0	0	0	110.8	I474 I477 A550 K551 H636 G637 V639	I474-L624 HydrophobicContact CG2-CD1 4.18Å; I477-L624 HydrophobicContact CB-CB 4.29Å; I477-L624 HydrophobicContact CB-CD2 3.96Å; I477-L624 HydrophobicContact CD1-CB 4.2Å; I477-L624 HydrophobicContact CG2-CB 3.95Å; I477-L624 HydrophobicContact CG2-CD2 3.83Å; I477-L624 HydrophobicContact CG2-CG 4.37Å; A550-L624 WeakPolarHBondContact O-CA 3.42Å; K551-L624 HydrophobicContact CB-CG 4.45Å; L624-H636 PolarHBondContact O-N 2.84Å; L624-G637 PolarHBondContact N-O 3.2Å; L624-V639 HydrophobicContact CD1-CB 4.01Å; L624-V639 HydrophobicContact CD1-CG2 3.3Å
625	A	94.5	Very high	87.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.3	-178.7	0	0	0	0	0	111.9	A550 L557 M633 I634	A550-A625 PolarHBondContact N-O 2.77Å; A550-A625 PolarHBondContact O-N 3.34Å; L557-A625 HydrophobicContact CD1-CB 4.23Å; L557-A625 HydrophobicContact CD2-CB 3.77Å; L557-A625 HydrophobicContact CG-CB 4.06Å; A625-M633 HydrophobicContact CB-CB 4.06Å; A625-M633 HydrophobicContact CB-SD 4.4Å; A625-I634 CarbonylContact C-O 3.58Å; A625-I634 WeakPolarHBondContact CA-O 3.32Å; A625-I634 WeakPolarHBondContact CB-O 3.43Å
626	K	93.4	Very high	88.4	Confident	49 Å²	49	40 Å²	40	21%	0.213	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.2	171.1	86.6	-167.1	-174.2	-171.2	0	111	S473 I477 Y548 F549 I634 H636	S473-K626 PolarHBondContact OG-NZ 3.26Å; S473-K626 VanDerWaalsContact OG-NZ 3.14Å; I477-K626 HydrophobicContact CD1-CB 4.16Å; I477-K626 HydrophobicContact CD1-CD 4.49Å; I477-K626 HydrophobicContact CG1-CB 4.13Å; Y548-K626 CarbonylContact O-C 3.58Å; Y548-K626 WeakPolarHBondContact O-CA 3.31Å; F549-K626 HydrophobicContact CD1-CB 4.1Å; F549-K626 HydrophobicContact CE1-CB 4.34Å; F549-K626 HydrophobicContact CE1-CD 4.48Å; K626-I634 PolarHBondContact N-O 3.2Å; K626-I634 WeakPolarHBondContact O-CA 3.45Å; K626-I634 WeakPolarHBondContact O-CB 3.48Å; K626-I634 PolarHBondContact O-N 2.87Å; K626-H636 VanDerWaalsContact CD-NE2 3.34Å; K626-H636 WeakPolarHBondContact CD-NE2 3.18Å; K626-H636 WeakPolarHBondContact CE-NE2 3.27Å; K626-H636 WeakPolarHBondContact CG-NE2 3.29Å
627	G	90.8	Very high	89	Confident	9 Å²	9	34.7 Å²	34.7	9%	0.093	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	173	177.9	0	0	0	0	0	113.3	Y548 N629	Y548-G627 PolarHBondContact N-O 3.33Å; Y548-G627 PolarHBondContact O-N 3.25Å; G627-N629 VanDerWaalsContact C-N 3.32Å
628	T	85.5	Confident	89.7	Confident	86 Å²	86	31.6 Å²	31.6	53%	0.528	16%	0.161	S	C	.	.	S	Bend	trans	-82.2	-12.6	174.3	52.6	0	0	0	0	112.6	Y548	Y548-T628 WeakPolarHBondContact CD2-O 3.47Å; Y548-T628 WeakPolarHBondContact CE2-O 3.12Å
629	N	86.6	Confident	90.6	Very high	69 Å²	69	31.3 Å²	31.3	37%	0.369	16%	0.158	S	C	.	.	S	Bend	trans	-138.5	147.4	177.2	-170.1	-6.2	0	0	0	110.7	G627 E631 M633	G627-N629 VanDerWaalsContact C-N 3.32Å; N629-E631 VanDerWaalsContact C-N 3.26Å; N629-E631 PolarHBondContact O-N 3.34Å; N629-E631 PolarHBondContact OD1-N 3.24Å; N629-M633 WeakPolarHBondContact O-CG 3.39Å
630	S	82.9	Confident	90.9	Very high	27 Å²	27	30.9 Å²	30.9	19%	0.189	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.3	178.7	61.4	0	0	0	0	114.8	R560 M633	R560-S630 PolarHBondContact NH1-O 3.39Å; S630-M633 WeakPolarHBondContact O-CE 3.33Å
631	E	83.1	Confident	91	Very high	114 Å²	114	26.3 Å²	26.3	53%	0.533	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-11.6	179.4	-63.8	-73.3	136	0	0	112.6	R560 N629	R560-E631 IonicContact CZ-OE1 3.98Å; R560-E631 IonicContact NH1-OE1 3.07Å; R560-E631 PolarHBondContact NH1-OE1 3.44Å; R560-E631 IonicContact NH2-OE1 3.78Å; R560-E631 CarbonylContact O-C 3.53Å; N629-E631 VanDerWaalsContact C-N 3.26Å; N629-E631 PolarHBondContact O-N 3.34Å; N629-E631 PolarHBondContact OD1-N 3.24Å
632	Q	86.3	Confident	90.8	Very high	120 Å²	120	25.4 Å²	25.4	56%	0.561	13%	0.133	S	C	*	.	S	Bend	trans	-136.1	64.5	-177.5	-67.7	-171.5	-15	0	0	110.7	A562	A562-Q632 HydrophobicContact CB-CB 4.11Å; A562-Q632 HydrophobicContact CB-CG 4.28Å
633	M	91.2	Very high	90.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	164.3	-179.1	-64.8	-170	-91.2	0	0	112.8	I532 A550 L557 R560 C561 A562 F563 A625 N629 S630	I532-M633 HydrophobicContact CD1-CE 4.28Å; A550-M633 HydrophobicContact CB-CE 3.72Å; A550-M633 HydrophobicContact CB-SD 3.51Å; A550-M633 VanDerWaalsContact CB-SD 3.51Å; L557-M633 HydrophobicContact CD1-CE 4.01Å; R560-M633 HydrophobicContact CB-CE 3.67Å; R560-M633 HydrophobicContact CG-CE 4.5Å; R560-M633 PolarHBondContact O-N 2.72Å; C561-M633 CarbonylContact C-O 3.54Å; C561-M633 VanDerWaalsContact CA-O 3.27Å; C561-M633 WeakPolarHBondContact CA-O 3.35Å; A562-M633 PolarHBondContact N-O 3.41Å; F563-M633 PolarHBondContact N-O 3.28Å; A625-M633 HydrophobicContact CB-CB 4.06Å; A625-M633 HydrophobicContact CB-SD 4.4Å; N629-M633 WeakPolarHBondContact O-CG 3.39Å; S630-M633 WeakPolarHBondContact O-CE 3.33Å
634	I	93.2	Very high	89.9	Confident	28 Å²	28	25.4 Å²	25.4	14%	0.144	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.7	172.5	-50.9	170	0	0	0	107.8	F563 I596 A625 K626	F563-I634 HydrophobicContact CB-CG1 4.17Å; F563-I634 HydrophobicContact CB-CG2 4.32Å; F563-I634 HydrophobicContact CD2-CG1 4.41Å; F563-I634 CarbonylContact O-C 3.22Å; F563-I634 WeakPolarHBondContact O-CA 3.49Å; I596-I634 HydrophobicContact CD1-CD1 3.68Å; I596-I634 HydrophobicContact CG1-CD1 4.25Å; A625-I634 CarbonylContact C-O 3.58Å; A625-I634 WeakPolarHBondContact CA-O 3.32Å; A625-I634 WeakPolarHBondContact CB-O 3.43Å; K626-I634 PolarHBondContact N-O 3.2Å; K626-I634 WeakPolarHBondContact O-CA 3.45Å; K626-I634 WeakPolarHBondContact O-CB 3.48Å; K626-I634 PolarHBondContact O-N 2.87Å
635	F	94.6	Very high	89.5	Confident	1 Å²	1	27 Å²	27	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.2	171.6	177.3	-95.5	0	0	0	110.4	L558 C561 F563 T564 S565 M599 I607 A623 G637 L638	L558-F635 HydrophobicContact CD2-CD2 3.88Å; L558-F635 HydrophobicContact CD2-CE2 4.28Å; L558-F635 HydrophobicContact CD2-CG 4.28Å; C561-F635 HydrophobicContact CB-CB 4.28Å; F563-F635 PolarHBondContact O-N 3.09Å; T564-F635 WeakPolarHBondContact CA-O 3.23Å; S565-F635 PolarHBondContact N-O 3.27Å; M599-F635 HydrophobicContact CE-CB 3.69Å; M599-F635 HydrophobicContact CE-CG 4.29Å; I607-F635 HydrophobicContact CD1-CD1 3.72Å; I607-F635 HydrophobicContact CD1-CE1 3.73Å; I607-F635 HydrophobicContact CD1-CG 4.26Å; I607-F635 HydrophobicContact CD1-CZ 4.28Å; I607-F635 HydrophobicContact CG1-CD1 4.5Å; I607-F635 HydrophobicContact CG1-CE1 4.02Å; I607-F635 HydrophobicContact CG1-CZ 4.41Å; I607-F635 HydrophobicContact CG2-CE1 4.06Å; I607-F635 HydrophobicContact CG2-CE2 4.06Å; I607-F635 HydrophobicContact CG2-CZ 3.59Å; A623-F635 HydrophobicContact CB-CE2 3.9Å; F635-G637 WeakPolarHBondContact CE2-O 3.43Å; F635-G637 VanDerWaalsContact CZ-C 3.44Å; F635-L638 HydrophobicContact CE2-CD2 3.82Å; F635-L638 HydrophobicContact CZ-CD2 3.66Å; F635-L638 HydrophobicContact CZ-CG 3.88Å
636	H	92.4	Very high	89.2	Confident	4 Å²	4	28.6 Å²	28.6	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-27.2	-178.2	-89.4	-74.5	0	0	0	114.1	T381 G382 S473 I474 I477 S565 L624 K626	T381-H636 CarbonylContact C-O 3.58Å; G382-H636 PolarHBondContact N-O 3.49Å; S473-H636 WeakPolarHBondContact CB-ND1 2.87Å; I474-H636 HydrophobicContact CG1-CB 4.24Å; I477-H636 HydrophobicContact CD1-CB 3.73Å; S565-H636 PolarHBondContact OG-ND1 3.26Å; L624-H636 PolarHBondContact O-N 2.84Å; K626-H636 VanDerWaalsContact CD-NE2 3.34Å; K626-H636 WeakPolarHBondContact CD-NE2 3.18Å; K626-H636 WeakPolarHBondContact CE-NE2 3.27Å; K626-H636 WeakPolarHBondContact CG-NE2 3.29Å
637	G	93.7	Very high	88.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	177	178.4	0	0	0	0	0	115.1	V380 L624 F635	V380-G637 CarbonylContact O-C 3.09Å; V380-G637 WeakPolarHBondContact O-CA 3.4Å; L624-G637 PolarHBondContact N-O 3.2Å; F635-G637 WeakPolarHBondContact CE2-O 3.43Å; F635-G637 VanDerWaalsContact CZ-C 3.44Å
638	L	94.7	Very high	88.5	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.3	172	-52.1	174.1	0	0	0	110.5	I379 V380 V554 I607 E610 A611 L614 V621 L622 A623 F635	I379-L638 CarbonylContact C-O 3.59Å; I379-L638 WeakPolarHBondContact CA-O 3.36Å; V380-L638 HydrophobicContact CB-CB 4.16Å; V380-L638 PolarHBondContact N-O 2.85Å; V380-L638 PolarHBondContact O-N 2.77Å; V554-L638 HydrophobicContact CG1-CD2 3.97Å; V554-L638 HydrophobicContact CG2-CD2 3.91Å; I607-L638 HydrophobicContact CG2-CD1 4.31Å; I607-L638 HydrophobicContact CG2-CD2 4.2Å; I607-L638 HydrophobicContact CG2-CG 4.46Å; E610-L638 HydrophobicContact CB-CD1 4.28Å; A611-L638 HydrophobicContact CB-CD1 3.85Å; L614-L638 HydrophobicContact CD1-CB 4.12Å; L614-L638 HydrophobicContact CD1-CD1 4.27Å; V621-L638 HydrophobicContact CG1-CB 4.12Å; V621-L638 HydrophobicContact CG1-CD1 4.35Å; V621-L638 HydrophobicContact CG1-CD2 4.32Å; L622-L638 CarbonylContact O-C 3.4Å; L622-L638 VanDerWaalsContact O-CA 3.25Å; L622-L638 WeakPolarHBondContact O-CA 2.97Å; A623-L638 HydrophobicContact CB-CD2 3.94Å; F635-L638 HydrophobicContact CE2-CD2 3.82Å; F635-L638 HydrophobicContact CZ-CD2 3.66Å; F635-L638 HydrophobicContact CZ-CG 3.88Å
639	V	94	Very high	88.7	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.9	172.4	179.7	0	0	0	0	108.6	V376 H378 I379 I474 L500 V621 L622 L624 L641	V376-V639 HydrophobicContact CB-CG1 4.12Å; V376-V639 HydrophobicContact CG1-CG1 3.42Å; V376-V639 VanDerWaalsContact CG1-CG1 3.42Å; V376-V639 HydrophobicContact CG2-CG1 3.62Å; H378-V639 WeakPolarHBondContact O-CA 3.42Å; I379-V639 HydrophobicContact CG1-CG2 4.44Å; I474-V639 HydrophobicContact CG2-CG2 3.8Å; L500-V639 HydrophobicContact CD2-CG1 4.09Å; V621-V639 WeakPolarHBondContact CA-O 3.32Å; L622-V639 PolarHBondContact N-O 2.74Å; L622-V639 PolarHBondContact O-N 2.76Å; L624-V639 HydrophobicContact CD1-CB 4.01Å; L624-V639 HydrophobicContact CD1-CG2 3.3Å; V639-L641 HydrophobicContact CG1-CD1 4.19Å; V639-L641 HydrophobicContact CG1-CG 4.29Å
640	G	91.5	Very high	88.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.5	175.6	0	0	0	0	0	111	S377 H378	S377-G640 PolarHBondContact N-O 3.41Å; S377-G640 PolarHBondContact OG-O 2.73Å; H378-G640 PolarHBondContact N-O 3.09Å; H378-G640 VanDerWaalsContact N-O 3.15Å; H378-G640 PolarHBondContact O-N 2.83Å
641	L	89	Confident	89.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.7	179.8	-55.8	97.3	0	0	0	111.5	M374 T375 V376 T496 A499 L619 R620 L622 V639	M374-L641 HydrophobicContact CE-CB 3.36Å; M374-L641 HydrophobicContact CE-CD2 4.24Å; M374-L641 HydrophobicContact CE-CG 4.39Å; T375-L641 WeakPolarHBondContact O-CA 3.34Å; V376-L641 HydrophobicContact CG2-CD2 4.26Å; V376-L641 HydrophobicContact CG2-CG 4.3Å; T496-L641 HydrophobicContact CG2-CD2 4.05Å; A499-L641 HydrophobicContact CB-CD2 3.52Å; L619-L641 CarbonylContact C-O 3.49Å; L619-L641 WeakPolarHBondContact CA-O 3.18Å; R620-L641 HydrophobicContact CB-CB 4.36Å; R620-L641 PolarHBondContact N-O 3.15Å; R620-L641 VanDerWaalsContact O-CD1 3.3Å; R620-L641 WeakPolarHBondContact O-CD1 3.42Å; R620-L641 PolarHBondContact O-N 2.9Å; L622-L641 HydrophobicContact CB-CD1 4.29Å; L622-L641 HydrophobicContact CD1-CD1 3.63Å; L622-L641 HydrophobicContact CG-CD1 3.74Å; V639-L641 HydrophobicContact CG1-CD1 4.19Å; V639-L641 HydrophobicContact CG1-CG 4.29Å
642	I	86.1	Confident	89.5	Confident	6 Å²	6	23.4 Å²	23.4	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.2	176.4	-161.3	175.6	0	0	0	110.5	T375 I391 L619 P644 I677 R680	T375-I642 PolarHBondContact N-O 3.42Å; T375-I642 PolarHBondContact O-N 2.85Å; I391-I642 HydrophobicContact CD1-CG2 3.97Å; L619-I642 HydrophobicContact CD2-CB 3.81Å; L619-I642 HydrophobicContact CD2-CD1 4.02Å; L619-I642 HydrophobicContact CD2-CG1 4.19Å; I642-P644 WeakPolarHBondContact O-CD 3.44Å; I642-I677 HydrophobicContact CD1-CD1 3.7Å; I642-I677 HydrophobicContact CG1-CD1 4.05Å; I642-R680 VanDerWaalsContact CD1-CZ 3.4Å
643	D	84.2	Confident	89.8	Confident	16 Å²	16	17.9 Å²	17.9	9%	0.086	11%	0.111	C	C	.	.			trans	-86.6	106.2	162.4	-179.6	17.9	0	0	0	109	K365 T370 N372 E373 M374	K365-D643 IonicContact NZ-OD2 3.68Å; T370-D643 VanDerWaalsContact CB-CG 3.41Å; T370-D643 WeakPolarHBondContact CB-OD1 3.21Å; T370-D643 WeakPolarHBondContact CB-OD2 3.16Å; T370-D643 VanDerWaalsContact OG1-CG 3.29Å; T370-D643 PolarHBondContact OG1-OD2 2.94Å; N372-D643 VanDerWaalsContact CA-OD1 3.32Å; N372-D643 WeakPolarHBondContact CA-OD1 3.33Å; N372-D643 PolarHBondContact N-OD1 3.16Å; E373-D643 PolarHBondContact N-OD1 2.85Å; E373-D643 VanDerWaalsContact N-OD1 3.11Å; M374-D643 HydrophobicContact SD-CB 4.18Å
644	P	85.4	Confident	89.8	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.013	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-76.4	147.7	-169.5	31.8	-34.8	0	0	0	112.5	T370 K371 E373 I391 I642	T370-P644 VanDerWaalsContact CA-O 3.29Å; T370-P644 WeakPolarHBondContact CA-O 3.23Å; T370-P644 WeakPolarHBondContact CB-O 3.48Å; K371-P644 HydrophobicContact CD-CG 4.3Å; K371-P644 PolarHBondContact N-O 2.96Å; E373-P644 WeakPolarHBondContact O-CD 3.39Å; I391-P644 HydrophobicContact CD1-CB 4.28Å; I391-P644 HydrophobicContact CG2-CB 3.36Å; I391-P644 HydrophobicContact CG2-CG 3.88Å; I642-P644 WeakPolarHBondContact O-CD 3.44Å
645	P	87.5	Confident	89.7	Confident	36 Å²	36	25.2 Å²	25.2	23%	0.234	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-57.5	146.8	170.6	-23.6	33.6	0	0	0	112.7	M369 L681	M369-P645 WeakPolarHBondContact O-CA 3.24Å; P645-L681 HydrophobicContact CB-CD2 3.91Å; P645-L681 HydrophobicContact CG-CD2 4.15Å
646	R	86.7	Confident	89.5	Confident	33 Å²	33	25.2 Å²	25.2	13%	0.125	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-66.3	146.3	171.6	-63.2	177.4	179.1	-91.3	-1	110.2	G367 T368 M369 T370 K371 G648 V649 T761 D777	G367-R646 PolarHBondContact O-NE 3.46Å; G367-R646 PolarHBondContact O-NH2 3.08Å; T368-R646 WeakPolarHBondContact O-CD 3.24Å; T368-R646 PolarHBondContact O-NE 3.01Å; M369-R646 PolarHBondContact O-N 3.36Å; T370-R646 PolarHBondContact O-NE 3.47Å; K371-R646 HydrophobicContact CG-CG 3.91Å; R646-G648 PolarHBondContact O-N 3.44Å; R646-V649 HydrophobicContact CB-CG2 3.63Å; R646-V649 VanDerWaalsContact O-CG2 3.32Å; R646-V649 WeakPolarHBondContact O-CG2 3.34Å; R646-V649 PolarHBondContact O-N 3.48Å; R646-T761 PolarHBondContact NH2-OG1 2.96Å; R646-D777 WeakPolarHBondContact CD-O 3.47Å
647	P	83.7	Confident	89.5	Confident	100 Å²	100	28.1 Å²	28.1	65%	0.649	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	138.5	174.9	25.6	-33.4	0	0	0	110.2	V649	P647-V649 VanDerWaalsContact C-N 3.32Å; P647-V649 PolarHBondContact O-N 3.29Å
648	G	85.5	Confident	89.3	Confident	31 Å²	31	33.4 Å²	33.4	32%	0.32	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-14.7	178.7	0	0	0	0	0	116.1	R646 N650 S651 C652	R646-G648 PolarHBondContact O-N 3.44Å; G648-N650 PolarHBondContact O-N 3.01Å; G648-S651 WeakPolarHBondContact CA-OG 3.15Å; G648-S651 PolarHBondContact O-N 3.12Å; G648-S651 PolarHBondContact O-OG 3.23Å; G648-C652 WeakPolarHBondContact O-CB 3.48Å; G648-C652 PolarHBondContact O-N 2.94Å
649	V	90.6	Very high	88.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-46.8	179.2	174.7	0	0	0	0	111.4	M369 R646 P647 S651 C652 I653 L681 F779	M369-V649 HydrophobicContact CB-CG1 4.25Å; M369-V649 HydrophobicContact CG-CG1 4.16Å; R646-V649 HydrophobicContact CB-CG2 3.63Å; R646-V649 VanDerWaalsContact O-CG2 3.32Å; R646-V649 WeakPolarHBondContact O-CG2 3.34Å; R646-V649 PolarHBondContact O-N 3.48Å; P647-V649 VanDerWaalsContact C-N 3.32Å; P647-V649 PolarHBondContact O-N 3.29Å; V649-S651 PolarHBondContact O-N 3.49Å; V649-C652 WeakPolarHBondContact O-CB 3.26Å; V649-C652 PolarHBondContact O-N 3.46Å; V649-C652 VanDerWaalsContact O-N 3.12Å; V649-I653 HydrophobicContact CG1-CD1 3.64Å; V649-I653 HydrophobicContact CG1-CG1 4.32Å; V649-I653 WeakPolarHBondContact O-CG1 3.44Å; V649-I653 PolarHBondContact O-N 3.25Å; V649-L681 HydrophobicContact CB-CD2 4.26Å; V649-L681 HydrophobicContact CG1-CD1 4.13Å; V649-L681 HydrophobicContact CG1-CD2 3.74Å; V649-F779 HydrophobicContact CG1-CD1 4.39Å; V649-F779 HydrophobicContact CG2-CB 3.65Å; V649-F779 HydrophobicContact CG2-CG 4.18Å
650	N	88.4	Confident	88.7	Confident	64 Å²	64	36 Å²	36	34%	0.342	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-46.9	-179.9	-171.8	-3.9	0	0	0	111.8	G648 C652 I653 R654 L681	G648-N650 PolarHBondContact O-N 3.01Å; N650-C652 VanDerWaalsContact C-N 3.29Å; N650-C652 PolarHBondContact O-N 3.42Å; N650-I653 PolarHBondContact O-N 3.17Å; N650-R654 WeakPolarHBondContact O-CB 3.22Å; N650-R654 PolarHBondContact O-N 3.43Å; N650-L681 HydrophobicContact CB-CD2 4.22Å
651	S	89.7	Confident	88.8	Confident	49 Å²	49	36.1 Å²	36.1	34%	0.343	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-36.2	174.1	42.5	0	0	0	0	112.8	G648 V649 I655	G648-S651 WeakPolarHBondContact CA-OG 3.15Å; G648-S651 PolarHBondContact O-N 3.12Å; G648-S651 PolarHBondContact O-OG 3.23Å; V649-S651 PolarHBondContact O-N 3.49Å; S651-I655 VanDerWaalsContact O-CG1 3.29Å; S651-I655 WeakPolarHBondContact O-CG1 3.23Å; S651-I655 PolarHBondContact O-N 2.77Å; S651-I655 VanDerWaalsContact O-N 3.1Å
652	C	91.4	Very high	89	Confident	1 Å²	1	39 Å²	39	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-51.3	178.3	-178	0	0	0	0	111.2	G648 V649 N650 R654 I655 L656 F779 L783	G648-C652 WeakPolarHBondContact O-CB 3.48Å; G648-C652 PolarHBondContact O-N 2.94Å; V649-C652 WeakPolarHBondContact O-CB 3.26Å; V649-C652 PolarHBondContact O-N 3.46Å; V649-C652 VanDerWaalsContact O-N 3.12Å; N650-C652 VanDerWaalsContact C-N 3.29Å; N650-C652 PolarHBondContact O-N 3.42Å; C652-R654 VanDerWaalsContact C-N 3.28Å; C652-R654 PolarHBondContact O-N 3.3Å; C652-I655 PolarHBondContact O-N 3.27Å; C652-I655 VanDerWaalsContact O-N 3.13Å; C652-L656 WeakPolarHBondContact O-CG 3.4Å; C652-L656 PolarHBondContact O-N 3.45Å; C652-F779 HydrophobicContact CB-CD1 4.07Å; C652-F779 PolarHBondContact SG-O 2.58Å; C652-F779 VanDerWaalsContact SG-O 3.34Å; C652-L783 HydrophobicContact CB-CD1 4.18Å
653	I	92.6	Very high	89.4	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-44.6	176.4	-70.4	167.7	0	0	0	110.8	M369 V649 N650 I655 L656 C657 V663 L681 L683 F779	M369-I653 HydrophobicContact SD-CD1 4.25Å; V649-I653 HydrophobicContact CG1-CD1 3.64Å; V649-I653 HydrophobicContact CG1-CG1 4.32Å; V649-I653 WeakPolarHBondContact O-CG1 3.44Å; V649-I653 PolarHBondContact O-N 3.25Å; N650-I653 PolarHBondContact O-N 3.17Å; I653-I655 PolarHBondContact O-N 3.33Å; I653-L656 WeakPolarHBondContact O-CB 3.28Å; I653-L656 PolarHBondContact O-N 2.86Å; I653-C657 WeakPolarHBondContact O-CB 3.5Å; I653-C657 PolarHBondContact O-N 2.76Å; I653-C657 PolarHBondContact O-SG 3.4Å; I653-C657 VanDerWaalsContact O-SG 3.33Å; I653-V663 HydrophobicContact CG1-CG1 4.44Å; I653-V663 HydrophobicContact CG2-CG2 4.43Å; I653-L681 HydrophobicContact CD1-CB 3.92Å; I653-L681 HydrophobicContact CD1-CD1 4.07Å; I653-L681 HydrophobicContact CD1-CD2 4.29Å; I653-L681 HydrophobicContact CD1-CG 4.32Å; I653-L683 HydrophobicContact CD1-CD1 3.8Å; I653-L683 HydrophobicContact CD1-CD2 4.16Å; I653-L683 HydrophobicContact CD1-CG 3.96Å; I653-L683 HydrophobicContact CG1-CD2 4.44Å; I653-L683 HydrophobicContact CG2-CD2 3.41Å; I653-L683 VanDerWaalsContact CG2-CD2 3.41Å; I653-L683 HydrophobicContact CG2-CG 4Å; I653-F779 HydrophobicContact CG1-CE1 4.46Å
654	R	91.1	Very high	90	Very high	140 Å²	140	38.3 Å²	38.3	53%	0.528	22%	0.22	S	C	.	.	H	α-helix	trans	-59.5	-46.8	177.8	-173.3	177.1	64.7	-138.7	-2.1	111.9	N650 C652 L656 C657 E658	N650-R654 WeakPolarHBondContact O-CB 3.22Å; N650-R654 PolarHBondContact O-N 3.43Å; C652-R654 VanDerWaalsContact C-N 3.28Å; C652-R654 PolarHBondContact O-N 3.3Å; R654-L656 VanDerWaalsContact C-N 3.34Å; R654-L656 PolarHBondContact O-N 2.8Å; R654-C657 PolarHBondContact O-N 2.79Å; R654-E658 HydrophobicContact CG-CG 4.44Å; R654-E658 WeakPolarHBondContact CG-OE1 3.42Å; R654-E658 IonicContact NE-OE1 3.1Å; R654-E658 WeakPolarHBondContact O-CB 3.43Å; R654-E658 VanDerWaalsContact O-CG 3.3Å; R654-E658 WeakPolarHBondContact O-CG 3.25Å; R654-E658 PolarHBondContact O-N 2.79Å
655	I	90.5	Very high	90.4	Very high	43 Å²	43	38.2 Å²	38.2	22%	0.221	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-38.9	178.6	-66.8	165.7	0	0	0	111.1	S651 C652 I653 E658 S659 L783 V856	S651-I655 VanDerWaalsContact O-CG1 3.29Å; S651-I655 WeakPolarHBondContact O-CG1 3.23Å; S651-I655 PolarHBondContact O-N 2.77Å; S651-I655 VanDerWaalsContact O-N 3.1Å; C652-I655 PolarHBondContact O-N 3.27Å; C652-I655 VanDerWaalsContact O-N 3.13Å; I653-I655 PolarHBondContact O-N 3.33Å; I655-E658 PolarHBondContact O-N 2.91Å; I655-S659 WeakPolarHBondContact O-CB 3.36Å; I655-S659 PolarHBondContact O-N 2.78Å; I655-S659 PolarHBondContact O-OG 3.44Å; I655-L783 HydrophobicContact CB-CD1 3.97Å; I655-L783 HydrophobicContact CB-CD2 4.24Å; I655-L783 HydrophobicContact CD1-CD1 3.82Å; I655-L783 HydrophobicContact CG2-CD1 3.95Å; I655-L783 HydrophobicContact CG2-CD2 3.72Å; I655-V856 HydrophobicContact CG2-CG1 3.58Å
656	L	91.8	Very high	90.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-51.2	174.3	-71.8	171.5	0	0	0	110.7	C652 I653 R654 E658 S659 G660 V661 V663 F779 L783 M786	C652-L656 WeakPolarHBondContact O-CG 3.4Å; C652-L656 PolarHBondContact O-N 3.45Å; I653-L656 WeakPolarHBondContact O-CB 3.28Å; I653-L656 PolarHBondContact O-N 2.86Å; R654-L656 VanDerWaalsContact C-N 3.34Å; R654-L656 PolarHBondContact O-N 2.8Å; L656-E658 PolarHBondContact O-N 3.5Å; L656-S659 CarbonylContact O-C 3.51Å; L656-S659 WeakPolarHBondContact O-CA 3.14Å; L656-S659 PolarHBondContact O-N 3.41Å; L656-S659 VanDerWaalsContact O-N 3.12Å; L656-S659 PolarHBondContact O-OG 3.31Å; L656-G660 PolarHBondContact O-N 3.05Å; L656-V661 CarbonylContact C-O 3.56Å; L656-V661 HydrophobicContact CB-CB 4.27Å; L656-V661 HydrophobicContact CD2-CB 4.38Å; L656-V661 HydrophobicContact CD2-CG1 4.37Å; L656-V661 WeakPolarHBondContact O-CB 3.48Å; L656-V661 PolarHBondContact O-N 2.68Å; L656-V663 HydrophobicContact CB-CG2 4.05Å; L656-V663 HydrophobicContact CD1-CG2 3.9Å; L656-F779 HydrophobicContact CD1-CE1 4.45Å; L656-L783 HydrophobicContact CD2-CD2 3.7Å; L656-L783 HydrophobicContact CG-CD2 3.93Å; L656-M786 HydrophobicContact CD2-CE 4.08Å; L656-M786 HydrophobicContact CD2-SD 3.33Å; L656-M786 WeakPolarHBondContact CD2-SD 3.32Å
657	C	90.6	Very high	90.8	Very high	66 Å²	66	35 Å²	35	45%	0.446	20%	0.202	S	C	.	.	H	α-helix	trans	-62.4	-41.4	177.7	-68.5	0	0	0	0	112.6	I653 R654 S659 G660 V661	I653-C657 WeakPolarHBondContact O-CB 3.5Å; I653-C657 PolarHBondContact O-N 2.76Å; I653-C657 PolarHBondContact O-SG 3.4Å; I653-C657 VanDerWaalsContact O-SG 3.33Å; R654-C657 PolarHBondContact O-N 2.79Å; C657-S659 VanDerWaalsContact C-N 3.26Å; C657-S659 PolarHBondContact O-N 3.49Å; C657-G660 PolarHBondContact O-N 3.17Å; C657-V661 WeakPolarHBondContact CA-O 3.44Å; C657-V661 PolarHBondContact N-O 3.36Å
658	E	89.6	Confident	90.5	Very high	110 Å²	110	31.6 Å²	31.6	51%	0.514	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-34.6	174.2	-77.1	173.2	-166.8	0	0	112	R654 I655 L656 G660	R654-E658 HydrophobicContact CG-CG 4.44Å; R654-E658 WeakPolarHBondContact CG-OE1 3.42Å; R654-E658 IonicContact NE-OE1 3.1Å; R654-E658 WeakPolarHBondContact O-CB 3.43Å; R654-E658 VanDerWaalsContact O-CG 3.3Å; R654-E658 WeakPolarHBondContact O-CG 3.25Å; R654-E658 PolarHBondContact O-N 2.79Å; I655-E658 PolarHBondContact O-N 2.91Å; L656-E658 PolarHBondContact O-N 3.5Å; E658-G660 PolarHBondContact O-N 3.19Å
659	S	88	Confident	90.2	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.028	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	5.2	172.7	77.1	0	0	0	0	113.3	I655 L656 C657 V661 V856 P859 P860	I655-S659 WeakPolarHBondContact O-CB 3.36Å; I655-S659 PolarHBondContact O-N 2.78Å; I655-S659 PolarHBondContact O-OG 3.44Å; L656-S659 CarbonylContact O-C 3.51Å; L656-S659 WeakPolarHBondContact O-CA 3.14Å; L656-S659 PolarHBondContact O-N 3.41Å; L656-S659 VanDerWaalsContact O-N 3.12Å; L656-S659 PolarHBondContact O-OG 3.31Å; C657-S659 VanDerWaalsContact C-N 3.26Å; C657-S659 PolarHBondContact O-N 3.49Å; S659-V661 VanDerWaalsContact C-N 3.33Å; S659-V661 PolarHBondContact O-N 3.03Å; S659-V661 WeakPolarHBondContact OG-CG2 3.27Å; S659-V856 WeakPolarHBondContact CB-O 3.29Å; S659-P859 VanDerWaalsContact O-CA 3.25Å; S659-P859 WeakPolarHBondContact O-CA 3.44Å; S659-P860 WeakPolarHBondContact O-CD 3.34Å
660	G	89.8	Confident	89.7	Confident	53 Å²	53	33.4 Å²	33.4	55%	0.546	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	14.5	-179.9	0	0	0	0	0	115	L656 C657 E658	L656-G660 PolarHBondContact O-N 3.05Å; C657-G660 PolarHBondContact O-N 3.17Å; E658-G660 PolarHBondContact O-N 3.19Å
661	V	93	Very high	89.6	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.194	C	C	.	.			trans	-91.4	125.8	172.5	-178.3	0	0	0	0	108.9	V358 V361 L656 C657 S659 M786 P860	V358-V661 HydrophobicContact CG1-CG1 4.29Å; V358-V661 WeakPolarHBondContact O-CG2 3.5Å; V361-V661 HydrophobicContact CG2-CG1 3.79Å; L656-V661 CarbonylContact C-O 3.56Å; L656-V661 HydrophobicContact CB-CB 4.27Å; L656-V661 HydrophobicContact CD2-CB 4.38Å; L656-V661 HydrophobicContact CD2-CG1 4.37Å; L656-V661 WeakPolarHBondContact O-CB 3.48Å; L656-V661 PolarHBondContact O-N 2.68Å; C657-V661 WeakPolarHBondContact CA-O 3.44Å; C657-V661 PolarHBondContact N-O 3.36Å; S659-V661 VanDerWaalsContact C-N 3.33Å; S659-V661 PolarHBondContact O-N 3.03Å; S659-V661 WeakPolarHBondContact OG-CG2 3.27Å; V661-M786 HydrophobicContact CG2-CE 3.82Å; V661-P860 HydrophobicContact CG2-CG 4.11Å
662	R	93.2	Very high	89.2	Confident	61 Å²	61	37.5 Å²	37.5	23%	0.23	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.9	178.4	-174.2	178.3	-176.5	-129.1	-0.3	110.2	N359 V360 V361 I664 V708 R709 V711	N359-R662 PolarHBondContact O-N 2.71Å; V360-R662 CarbonylContact C-O 3.57Å; V360-R662 VanDerWaalsContact CA-O 3.28Å; V360-R662 WeakPolarHBondContact CA-O 3.27Å; V360-R662 HydrophobicContact CG2-CB 4.34Å; V361-R662 PolarHBondContact N-O 2.76Å; R662-I664 HydrophobicContact CG-CG1 4.39Å; R662-I664 VanDerWaalsContact NH1-CD1 3.27Å; R662-V708 PolarHBondContact NH1-O 3.35Å; R662-R709 PolarHBondContact NH1-O 3.24Å; R662-R709 VanDerWaalsContact NH1-O 3.17Å; R662-R709 PolarHBondContact NH2-O 2.93Å; R662-V711 VanDerWaalsContact NH2-N 3.2Å; R662-V711 PolarHBondContact NH2-O 3.39Å
663	V	94.7	Very high	88.7	Confident	8 Å²	8	39.5 Å²	39.5	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.7	174.4	-175.7	0	0	0	0	109.3	V361 I653 L656 L683	V361-V663 HydrophobicContact CB-CG2 4.42Å; V361-V663 CarbonylContact O-C 3.6Å; V361-V663 WeakPolarHBondContact O-CA 3.39Å; I653-V663 HydrophobicContact CG1-CG1 4.44Å; I653-V663 HydrophobicContact CG2-CG2 4.43Å; L656-V663 HydrophobicContact CB-CG2 4.05Å; L656-V663 HydrophobicContact CD1-CG2 3.9Å; V663-L683 HydrophobicContact CB-CD2 3.56Å; V663-L683 HydrophobicContact CG1-CD1 4.4Å; V663-L683 HydrophobicContact CG1-CD2 3.63Å
664	I	95.4	Very high	88.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.1	-179.9	-57	176.6	0	0	0	108.3	V360 V361 C362 S363 R662 I666 F714 L729	V360-I664 HydrophobicContact CG1-CD1 3.47Å; V360-I664 VanDerWaalsContact CG1-CD1 3.47Å; V360-I664 HydrophobicContact CG1-CG1 3.9Å; V361-I664 PolarHBondContact O-N 3.16Å; C362-I664 CarbonylContact C-O 3.53Å; C362-I664 WeakPolarHBondContact CA-O 3.33Å; S363-I664 PolarHBondContact N-O 3.24Å; R662-I664 HydrophobicContact CG-CG1 4.39Å; R662-I664 VanDerWaalsContact NH1-CD1 3.27Å; I664-I666 HydrophobicContact CG2-CG1 4.21Å; I664-F714 HydrophobicContact CG2-CD2 3.73Å; I664-F714 HydrophobicContact CG2-CE2 3.84Å; I664-L729 HydrophobicContact CD1-CD1 4.01Å; I664-L729 HydrophobicContact CD1-CD2 4.12Å
665	M	94.7	Very high	88.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.9	173.4	-178	-179.8	-65.4	0	0	110	S363 K365 M369 T667 A674 I677 L681 L683 T712 V713 F714	S363-M665 WeakPolarHBondContact O-CA 3.32Å; K365-M665 HydrophobicContact CB-CG 4.22Å; K365-M665 HydrophobicContact CB-SD 4.1Å; K365-M665 HydrophobicContact CG-CE 4.32Å; K365-M665 HydrophobicContact CG-SD 4.13Å; M369-M665 HydrophobicContact CE-CB 3.98Å; M369-M665 HydrophobicContact CE-CE 3.48Å; M369-M665 VanDerWaalsContact CE-CE 3.48Å; M369-M665 HydrophobicContact CE-CG 3.63Å; M369-M665 HydrophobicContact CE-SD 4.26Å; M369-M665 HydrophobicContact SD-CE 4.29Å; M665-T667 HydrophobicContact CG-CG2 4.41Å; M665-T667 HydrophobicContact SD-CG2 4.41Å; M665-A674 HydrophobicContact SD-CB 4.32Å; M665-I677 HydrophobicContact CE-CB 4.33Å; M665-I677 HydrophobicContact CE-CG2 3.87Å; M665-L681 HydrophobicContact CE-CD1 4.38Å; M665-L683 HydrophobicContact CE-CD1 4.09Å; M665-T712 PolarHBondContact N-O 3.29Å; M665-V713 HydrophobicContact CB-CG2 4.38Å; M665-V713 WeakPolarHBondContact O-CA 3.49Å; M665-V713 HydrophobicContact SD-CG1 4.44Å; M665-F714 PolarHBondContact O-N 3.41Å
666	I	93.7	Very high	87.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	106	174.4	-49.8	179.1	0	0	0	109.1	C362 S363 D364 I664 F714 K722 I725	C362-I666 HydrophobicContact CB-CD1 3.71Å; C362-I666 HydrophobicContact CB-CG1 4.42Å; S363-I666 PolarHBondContact O-N 3.29Å; D364-I666 WeakPolarHBondContact CA-O 3.48Å; I664-I666 HydrophobicContact CG2-CG1 4.21Å; I666-F714 HydrophobicContact CB-CB 4.33Å; I666-F714 HydrophobicContact CG1-CB 4.28Å; I666-F714 HydrophobicContact CG1-CD2 4.03Å; I666-F714 HydrophobicContact CG2-CB 3.97Å; I666-K722 HydrophobicContact CG2-CD 4.49Å; I666-K722 HydrophobicContact CG2-CG 3.76Å; I666-I725 HydrophobicContact CD1-CB 4.2Å; I666-I725 HydrophobicContact CD1-CD1 4.18Å; I666-I725 HydrophobicContact CD1-CG2 3.67Å; I666-I725 HydrophobicContact CG2-CD1 3.92Å
667	T	87.9	Confident	87.7	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	19%	0.189	C	C	.	.			trans	-132.1	154.2	-171.6	-172.8	0	0	0	0	113.3	M665 D669 A674 F714 Y715 R716 S717	M665-T667 HydrophobicContact CG-CG2 4.41Å; M665-T667 HydrophobicContact SD-CG2 4.41Å; T667-D669 VanDerWaalsContact C-N 3.29Å; T667-D669 HydrophobicContact CG2-CB 4.01Å; T667-D669 PolarHBondContact OG1-N 2.66Å; T667-A674 HydrophobicContact CG2-CB 3.65Å; T667-F714 PolarHBondContact N-O 2.95Å; T667-Y715 CarbonylContact O-C 3.47Å; T667-Y715 VanDerWaalsContact O-C 3.29Å; T667-Y715 WeakPolarHBondContact O-CA 3.48Å; T667-R716 PolarHBondContact O-N 3.28Å; T667-R716 VanDerWaalsContact O-N 3.1Å; T667-S717 WeakPolarHBondContact O-CB 3.49Å; T667-S717 PolarHBondContact O-N 2.79Å
668	G	78.4	Confident	87.6	Confident	29 Å²	29	29.2 Å²	29.2	30%	0.299	17%	0.168	S	C	.	.	S	Bend	trans	-74.5	-17	169.3	0	0	0	0	0	113.7	R716	G668-R716 WeakPolarHBondContact O-CA 3.42Å
669	D	79.5	Confident	87.6	Confident	36 Å²	36	26.6 Å²	26.6	19%	0.193	16%	0.162	C	C	.	.	S	Bend	trans	-63.6	164.6	-175.9	-75.5	17.9	0	0	0	113.7	K365 T667 T673 Y715 R716	K365-D669 WeakPolarHBondContact CE-OD2 3.23Å; K365-D669 IonicContact NZ-OD1 3.58Å; K365-D669 IonicContact NZ-OD2 3.66Å; K365-D669 PolarHBondContact NZ-OD2 2.83Å; T667-D669 VanDerWaalsContact C-N 3.29Å; T667-D669 HydrophobicContact CG2-CB 4.01Å; T667-D669 PolarHBondContact OG1-N 2.66Å; D669-T673 HydrophobicContact CB-CG2 4.5Å; D669-T673 WeakPolarHBondContact OD2-CG2 3.4Å; D669-Y715 WeakPolarHBondContact O-CB 3.38Å; D669-R716 PolarHBondContact O-N 3.25Å
670	A	78.9	Confident	87.4	Confident	32 Å²	32	30.4 Å²	30.4	26%	0.264	18%	0.176	S	C	.	.			trans	-64.2	158.8	169.4	0	0	0	0	0	112.3	E672 T673 A674	A670-E672 VanDerWaalsContact C-N 3.33Å; A670-E672 PolarHBondContact O-N 2.9Å; A670-T673 PolarHBondContact O-N 3.38Å; A670-A674 WeakPolarHBondContact O-CB 3.39Å; A670-A674 PolarHBondContact O-N 2.86Å
671	K	86.1	Confident	87.4	Confident	89 Å²	89	28 Å²	28	39%	0.387	15%	0.151	S	C	.	.	H	α-helix	trans	-59.3	-43.7	-174.8	-176.1	178.8	179.1	174.6	0	112	T673 A674 C675 Y715	K671-T673 PolarHBondContact O-N 3.22Å; K671-A674 PolarHBondContact O-N 2.81Å; K671-C675 WeakPolarHBondContact O-CB 3.39Å; K671-C675 PolarHBondContact O-N 2.7Å; K671-C675 PolarHBondContact O-SG 3.13Å; K671-C675 VanDerWaalsContact O-SG 3.34Å; K671-Y715 HydrophobicContact CB-CD1 4.19Å; K671-Y715 HydrophobicContact CB-CD2 3.85Å; K671-Y715 HydrophobicContact CB-CE1 4.18Å; K671-Y715 HydrophobicContact CB-CE2 3.85Å; K671-Y715 HydrophobicContact CB-CG 4.01Å; K671-Y715 HydrophobicContact CD-CE1 3.96Å; K671-Y715 HydrophobicContact CG-CD1 4.11Å; K671-Y715 HydrophobicContact CG-CE1 3.93Å; K671-Y715 HydrophobicContact CG-CE2 4.45Å; K671-Y715 HydrophobicContact CG-CG 4.44Å
672	E	82.4	Confident	87.1	Confident	110 Å²	110	32.2 Å²	32.2	51%	0.514	18%	0.18	S	C	.	.	H	α-helix	trans	-62	-46.2	-175.6	-59.5	75.8	-163.7	0	0	110.9	A670 T676	A670-E672 VanDerWaalsContact C-N 3.33Å; A670-E672 PolarHBondContact O-N 2.9Å; E672-T676 VanDerWaalsContact O-CB 3.31Å; E672-T676 WeakPolarHBondContact O-CB 3.48Å; E672-T676 PolarHBondContact O-N 3.43Å; E672-T676 PolarHBondContact O-OG1 3.07Å
673	T	80.7	Confident	86.9	Confident	44 Å²	44	30.2 Å²	30.2	27%	0.27	17%	0.173	S	C	.	.	H	α-helix	trans	-65.2	-46.4	177	-52	0	0	0	0	111.1	D669 A670 K671 T676 I677	D669-T673 HydrophobicContact CB-CG2 4.5Å; D669-T673 WeakPolarHBondContact OD2-CG2 3.4Å; A670-T673 PolarHBondContact O-N 3.38Å; K671-T673 PolarHBondContact O-N 3.22Å; T673-T676 PolarHBondContact O-N 3.01Å; T673-I677 WeakPolarHBondContact O-CG1 3.24Å; T673-I677 PolarHBondContact O-N 3.27Å
674	A	85.6	Confident	86.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-48.6	180	0	0	0	0	0	112.1	M665 T667 A670 K671 T676 I677 G678 V713	M665-A674 HydrophobicContact SD-CB 4.32Å; T667-A674 HydrophobicContact CG2-CB 3.65Å; A670-A674 WeakPolarHBondContact O-CB 3.39Å; A670-A674 PolarHBondContact O-N 2.86Å; K671-A674 PolarHBondContact O-N 2.81Å; A674-T676 VanDerWaalsContact C-N 3.33Å; A674-T676 PolarHBondContact O-N 3.15Å; A674-I677 PolarHBondContact O-N 2.92Å; A674-G678 PolarHBondContact O-N 3.47Å; A674-V713 HydrophobicContact CB-CG1 3.67Å
675	C	88.5	Confident	86.4	Confident	13 Å²	13	40.4 Å²	40.4	9%	0.088	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-36.2	177.8	-71.2	0	0	0	0	112.4	K671 S679 Y684	K671-C675 WeakPolarHBondContact O-CB 3.39Å; K671-C675 PolarHBondContact O-N 2.7Å; K671-C675 PolarHBondContact O-SG 3.13Å; K671-C675 VanDerWaalsContact O-SG 3.34Å; C675-S679 WeakPolarHBondContact O-CB 3.43Å; C675-S679 PolarHBondContact O-N 2.81Å; C675-S679 PolarHBondContact O-OG 3.19Å; C675-Y684 HydrophobicContact CB-CD1 3.91Å; C675-Y684 HydrophobicContact CB-CE1 3.72Å; C675-Y684 HydrophobicContact CB-CG 4.43Å; C675-Y684 WeakPolarHBondContact O-CD1 3.44Å
676	T	84.2	Confident	85.9	Confident	20 Å²	20	46.3 Å²	46.3	12%	0.123	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-51.2	176.8	-62.1	0	0	0	0	111.3	L617 G618 E672 T673 A674 G678 S679 R680	L617-T676 VanDerWaalsContact C-CG2 3.5Å; L617-T676 WeakPolarHBondContact O-CG2 3.39Å; G618-T676 WeakPolarHBondContact CA-OG1 3.24Å; G618-T676 PolarHBondContact N-OG1 3.28Å; E672-T676 VanDerWaalsContact O-CB 3.31Å; E672-T676 WeakPolarHBondContact O-CB 3.48Å; E672-T676 PolarHBondContact O-N 3.43Å; E672-T676 PolarHBondContact O-OG1 3.07Å; T673-T676 PolarHBondContact O-N 3.01Å; A674-T676 VanDerWaalsContact C-N 3.33Å; A674-T676 PolarHBondContact O-N 3.15Å; T676-G678 VanDerWaalsContact C-N 3.27Å; T676-G678 PolarHBondContact O-N 3.31Å; T676-S679 WeakPolarHBondContact O-CB 3.09Å; T676-S679 PolarHBondContact O-N 3.45Å; T676-S679 VanDerWaalsContact O-N 3.15Å; T676-R680 PolarHBondContact O-N 3.18Å
677	I	85.9	Confident	85.5	Confident	3 Å²	3	50 Å²	50	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-40.8	177.8	-64.1	-67.4	0	0	0	109.8	K365 T370 I642 M665 T673 A674 S679 R680 L681	K365-I677 HydrophobicContact CD-CB 4.44Å; K365-I677 HydrophobicContact CD-CG1 4.23Å; K365-I677 HydrophobicContact CD-CG2 4.37Å; K365-I677 HydrophobicContact CG-CG2 3.98Å; T370-I677 HydrophobicContact CG2-CG2 4.25Å; I642-I677 HydrophobicContact CD1-CD1 3.7Å; I642-I677 HydrophobicContact CG1-CD1 4.05Å; M665-I677 HydrophobicContact CE-CB 4.33Å; M665-I677 HydrophobicContact CE-CG2 3.87Å; T673-I677 WeakPolarHBondContact O-CG1 3.24Å; T673-I677 PolarHBondContact O-N 3.27Å; A674-I677 PolarHBondContact O-N 2.92Å; I677-S679 VanDerWaalsContact C-N 3.32Å; I677-S679 PolarHBondContact O-N 2.61Å; I677-R680 PolarHBondContact O-N 3.24Å; I677-L681 HydrophobicContact CG2-CD1 3.99Å; I677-L681 HydrophobicContact CG2-CG 4.49Å; I677-L681 WeakPolarHBondContact O-CG 3.32Å; I677-L681 PolarHBondContact O-N 3.32Å
678	G	89.7	Confident	85.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.2	-42.8	173.3	0	0	0	0	0	112.7	A674 T676 L681 S682 L683 Y684	A674-G678 PolarHBondContact O-N 3.47Å; T676-G678 VanDerWaalsContact C-N 3.27Å; T676-G678 PolarHBondContact O-N 3.31Å; G678-L681 CarbonylContact O-C 3.54Å; G678-L681 PolarHBondContact O-N 2.77Å; G678-S682 PolarHBondContact O-N 3.07Å; G678-L683 PolarHBondContact O-N 3.17Å; G678-Y684 PolarHBondContact O-N 3.04Å; G678-Y684 VanDerWaalsContact O-N 3.17Å
679	S	88.6	Confident	86.2	Confident	55 Å²	55	54.7 Å²	54.7	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-63.3	-44.1	176.9	-57.5	0	0	0	0	111.7	C675 T676 I677 L681 S682 Y684	C675-S679 WeakPolarHBondContact O-CB 3.43Å; C675-S679 PolarHBondContact O-N 2.81Å; C675-S679 PolarHBondContact O-OG 3.19Å; T676-S679 WeakPolarHBondContact O-CB 3.09Å; T676-S679 PolarHBondContact O-N 3.45Å; T676-S679 VanDerWaalsContact O-N 3.15Å; I677-S679 VanDerWaalsContact C-N 3.32Å; I677-S679 PolarHBondContact O-N 2.61Å; S679-L681 VanDerWaalsContact C-N 3.26Å; S679-L681 PolarHBondContact O-N 2.68Å; S679-S682 PolarHBondContact O-N 3.31Å; S679-S682 VanDerWaalsContact O-N 3.07Å; S679-Y684 WeakPolarHBondContact CA-O 3.44Å; S679-Y684 WeakPolarHBondContact OG-CD1 3.31Å
680	R	85.2	Confident	86.9	Confident	84 Å²	84	53.7 Å²	53.7	32%	0.317	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-32.3	178.4	-70.2	-174.9	-178.4	-163.2	5.2	112.8	I642 T676 I677 S682	I642-R680 VanDerWaalsContact CD1-CZ 3.4Å; T676-R680 PolarHBondContact O-N 3.18Å; I677-R680 PolarHBondContact O-N 3.24Å; R680-S682 VanDerWaalsContact C-N 3.28Å
681	L	88.6	Confident	87.6	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.016	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.3	176.6	-67.7	179.5	0	0	0	113.5	M369 P645 V649 N650 I653 M665 I677 G678 S679 L683	M369-L681 HydrophobicContact CB-CD1 4.16Å; M369-L681 HydrophobicContact CG-CD1 4.41Å; M369-L681 HydrophobicContact SD-CD1 3.63Å; P645-L681 HydrophobicContact CB-CD2 3.91Å; P645-L681 HydrophobicContact CG-CD2 4.15Å; V649-L681 HydrophobicContact CB-CD2 4.26Å; V649-L681 HydrophobicContact CG1-CD1 4.13Å; V649-L681 HydrophobicContact CG1-CD2 3.74Å; N650-L681 HydrophobicContact CB-CD2 4.22Å; I653-L681 HydrophobicContact CD1-CB 3.92Å; I653-L681 HydrophobicContact CD1-CD1 4.07Å; I653-L681 HydrophobicContact CD1-CD2 4.29Å; I653-L681 HydrophobicContact CD1-CG 4.32Å; M665-L681 HydrophobicContact CE-CD1 4.38Å; I677-L681 HydrophobicContact CG2-CD1 3.99Å; I677-L681 HydrophobicContact CG2-CG 4.49Å; I677-L681 WeakPolarHBondContact O-CG 3.32Å; I677-L681 PolarHBondContact O-N 3.32Å; G678-L681 CarbonylContact O-C 3.54Å; G678-L681 PolarHBondContact O-N 2.77Å; S679-L681 VanDerWaalsContact C-N 3.26Å; S679-L681 PolarHBondContact O-N 2.68Å; L681-L683 HydrophobicContact CB-CD1 3.97Å; L681-L683 HydrophobicContact CB-CG 4.01Å; L681-L683 HydrophobicContact CD1-CD1 4.18Å; L681-L683 PolarHBondContact O-N 3.38Å
682	S	87	Confident	87.8	Confident	89 Å²	89	49.3 Å²	49.3	62%	0.622	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	24.2	-174.7	-51.3	0	0	0	0	114.1	G678 S679 R680	G678-S682 PolarHBondContact O-N 3.07Å; S679-S682 PolarHBondContact O-N 3.31Å; S679-S682 VanDerWaalsContact O-N 3.07Å; R680-S682 VanDerWaalsContact C-N 3.28Å
683	L	89.2	Confident	87.9	Confident	18 Å²	18	44 Å²	44	9%	0.094	25%	0.254	C	S	.	.	S	Bend	trans	-89.4	-32.2	177.5	-72.7	173.8	0	0	0	113.1	M369 I653 V663 M665 G678 L681	M369-L683 HydrophobicContact CE-CD1 4.48Å; M369-L683 HydrophobicContact SD-CD1 3.93Å; I653-L683 HydrophobicContact CD1-CD1 3.8Å; I653-L683 HydrophobicContact CD1-CD2 4.16Å; I653-L683 HydrophobicContact CD1-CG 3.96Å; I653-L683 HydrophobicContact CG1-CD2 4.44Å; I653-L683 HydrophobicContact CG2-CD2 3.41Å; I653-L683 VanDerWaalsContact CG2-CD2 3.41Å; I653-L683 HydrophobicContact CG2-CG 4Å; V663-L683 HydrophobicContact CB-CD2 3.56Å; V663-L683 HydrophobicContact CG1-CD1 4.4Å; V663-L683 HydrophobicContact CG1-CD2 3.63Å; M665-L683 HydrophobicContact CE-CD1 4.09Å; G678-L683 PolarHBondContact O-N 3.17Å; L681-L683 HydrophobicContact CB-CD1 3.97Å; L681-L683 HydrophobicContact CB-CG 4.01Å; L681-L683 HydrophobicContact CD1-CD1 4.18Å; L681-L683 PolarHBondContact O-N 3.38Å
684	Y	90.7	Very high	88.1	Confident	39 Å²	39	47.5 Å²	47.5	15%	0.153	27%	0.267	C	S	.	.			trans	-121.9	137	-175.9	172.5	-95	0	0	0	110.2	C675 G678 S679 D688 C690 V713	C675-Y684 HydrophobicContact CB-CD1 3.91Å; C675-Y684 HydrophobicContact CB-CE1 3.72Å; C675-Y684 HydrophobicContact CB-CG 4.43Å; C675-Y684 WeakPolarHBondContact O-CD1 3.44Å; G678-Y684 PolarHBondContact O-N 3.04Å; G678-Y684 VanDerWaalsContact O-N 3.17Å; S679-Y684 WeakPolarHBondContact CA-O 3.44Å; S679-Y684 WeakPolarHBondContact OG-CD1 3.31Å; Y684-D688 HydrophobicContact CD2-CB 3.75Å; Y684-D688 HydrophobicContact CE2-CB 3.8Å; Y684-C690 WeakPolarHBondContact CE2-SG 3.4Å; Y684-V713 HydrophobicContact CD2-CG2 4.19Å; Y684-V713 HydrophobicContact CG-CG2 4.48Å
685	R	89.6	Confident	88.3	Confident	184 Å²	184	51.3 Å²	51.3	69%	0.694	29%	0.285	S	S	*	.			trans	-118.2	148.9	169.1	-62.8	179.5	-177.9	-176.6	0.7	109.6	G687 D688	R685-G687 PolarHBondContact O-N 3.05Å; R685-G687 VanDerWaalsContact O-N 3.08Å; R685-D688 PolarHBondContact N-OD2 2.98Å; R685-D688 WeakPolarHBondContact O-CB 3.43Å; R685-D688 PolarHBondContact O-N 3.14Å
686	P	83.9	Confident	88.4	Confident	124 Å²	124	50.7 Å²	50.7	81%	0.805	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	119.2	173.3	-22.8	32.7	0	0	0	110.5
687	G	84.3	Confident	88.4	Confident	77 Å²	77	53.5 Å²	53.5	79%	0.794	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.4	-11.3	-177.3	0	0	0	0	0	115	R685	R685-G687 PolarHBondContact O-N 3.05Å; R685-G687 VanDerWaalsContact O-N 3.08Å
688	D	90.1	Very high	88.5	Confident	57 Å²	57	62.4 Å²	62.4	31%	0.305	33%	0.326	S	S	.	.			trans	-63.9	149.1	171.4	-70	-16.9	0	0	0	110.9	Y684 R685 C690 T712	Y684-D688 HydrophobicContact CD2-CB 3.75Å; Y684-D688 HydrophobicContact CE2-CB 3.8Å; R685-D688 PolarHBondContact N-OD2 2.98Å; R685-D688 WeakPolarHBondContact O-CB 3.43Å; R685-D688 PolarHBondContact O-N 3.14Å; D688-C690 PolarHBondContact O-N 3.4Å; D688-T712 HydrophobicContact CB-CG2 4.09Å; D688-T712 WeakPolarHBondContact CB-OG1 3.28Å
689	L	92.3	Very high	88.4	Confident	72 Å²	72	64.5 Å²	64.5	38%	0.377	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.4	-179.3	-173.5	64.5	0	0	0	110.8	V707 N710 V711 T712	L689-V707 HydrophobicContact CD2-CG1 3.32Å; L689-N710 HydrophobicContact CD2-CB 4.4Å; L689-V711 HydrophobicContact CD2-CG2 3.7Å; L689-V711 HydrophobicContact CG-CG2 4.03Å; L689-V711 WeakPolarHBondContact O-CA 3.27Å; L689-T712 PolarHBondContact O-N 2.95Å
690	C	93.2	Very high	88.3	Confident	14 Å²	14	64 Å²	64	10%	0.095	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.1	171.7	-51.7	0	0	0	0	110	Y684 D688 V713 Y715	Y684-C690 WeakPolarHBondContact CE2-SG 3.4Å; D688-C690 PolarHBondContact O-N 3.4Å; C690-V713 WeakPolarHBondContact CA-O 3.44Å; C690-V713 HydrophobicContact CB-CB 4.39Å; C690-V713 WeakPolarHBondContact CB-O 3.23Å; C690-Y715 HydrophobicContact CB-CD1 4.18Å; C690-Y715 HydrophobicContact CB-CE1 3.99Å
691	L	93.7	Very high	88.3	Confident	14 Å²	14	61.8 Å²	61.8	7%	0.073	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	177	-69.5	176.6	0	0	0	111.2	E695 V696 L704 V707 V711 V713 F714 Y715	L691-E695 HydrophobicContact CD2-CB 4.46Å; L691-V696 HydrophobicContact CB-CG2 4.25Å; L691-L704 HydrophobicContact CD1-CD1 4.24Å; L691-V707 HydrophobicContact CD1-CG1 4.41Å; L691-V711 HydrophobicContact CB-CG1 4.34Å; L691-V711 HydrophobicContact CD1-CG1 4.4Å; L691-V711 HydrophobicContact CD1-CG2 3.55Å; L691-V711 HydrophobicContact CG-CG1 4.24Å; L691-V711 HydrophobicContact CG-CG2 3.95Å; L691-V713 PolarHBondContact N-O 2.82Å; L691-V713 VanDerWaalsContact N-O 3.09Å; L691-F714 HydrophobicContact CB-CD1 3.85Å; L691-F714 HydrophobicContact CB-CE1 3.85Å; L691-F714 HydrophobicContact CD1-CE1 3.89Å; L691-F714 HydrophobicContact CG-CE1 4.42Å; L691-F714 VanDerWaalsContact O-CA 3.27Å; L691-F714 WeakPolarHBondContact O-CA 3.43Å; L691-Y715 VanDerWaalsContact C-CE1 3.43Å; L691-Y715 VanDerWaalsContact O-CD1 3.32Å; L691-Y715 WeakPolarHBondContact O-CD1 3.39Å; L691-Y715 PolarHBondContact O-N 3.16Å
692	S	90.9	Very high	88.3	Confident	15 Å²	15	68 Å²	68	11%	0.105	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	157	171.2	66.2	0	0	0	0	111.6	E694 E695 V696 Y715	S692-E694 PolarHBondContact O-N 3.12Å; S692-E695 WeakPolarHBondContact CB-OE2 3.13Å; S692-E695 PolarHBondContact N-OE2 3Å; S692-E695 PolarHBondContact O-N 2.83Å; S692-E695 WeakPolarHBondContact OG-CB 3.34Å; S692-E695 VanDerWaalsContact OG-CD 3.27Å; S692-E695 VanDerWaalsContact OG-CG 3.23Å; S692-E695 WeakPolarHBondContact OG-CG 3.45Å; S692-E695 PolarHBondContact OG-N 3.29Å; S692-E695 VanDerWaalsContact OG-N 3.16Å; S692-E695 PolarHBondContact OG-OE2 3.42Å; S692-V696 WeakPolarHBondContact O-CG2 3.24Å; S692-V696 PolarHBondContact O-N 3.4Å; S692-Y715 CarbonylContact C-O 3.48Å; S692-Y715 WeakPolarHBondContact CA-O 3.42Å; S692-Y715 VanDerWaalsContact CB-CE2 3.44Å
693	G	84.6	Confident	88.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-56.7	-35.8	171.6	0	0	0	0	0	113.6	V696 E697 Y715 R716 H721	G693-V696 PolarHBondContact O-N 2.92Å; G693-E697 WeakPolarHBondContact O-CB 3.21Å; G693-E697 PolarHBondContact O-N 3.25Å; G693-Y715 PolarHBondContact N-O 2.61Å; G693-R716 WeakPolarHBondContact CA-O 2.89Å; G693-H721 WeakPolarHBondContact CA-ND1 3.43Å; G693-H721 PolarHBondContact O-CE1 3.21Å
694	E	83.8	Confident	88.4	Confident	117 Å²	117	68.4 Å²	68.4	55%	0.547	35%	0.349	S	S	.	.	H	α-helix	trans	-68.3	-39.6	178.8	-167.5	178.7	172.5	0	0	112.1	S692 E697 R698	S692-E694 PolarHBondContact O-N 3.12Å; E694-E697 PolarHBondContact O-N 2.81Å; E694-R698 WeakPolarHBondContact O-CG 3.39Å; E694-R698 PolarHBondContact O-N 3.5Å; E694-R698 VanDerWaalsContact O-N 3.15Å; E694-R698 IonicContact OE1-CZ 3.94Å; E694-R698 IonicContact OE1-NE 2.72Å; E694-R698 IonicContact OE1-NH2 3.77Å; E694-R698 PolarHBondContact OE1-NH2 2.89Å
695	E	90.1	Very high	88.3	Confident	79 Å²	79	69 Å²	69	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-44	172.8	-71.8	162.2	136.2	0	0	111.1	L691 S692 E697 R698 I699	L691-E695 HydrophobicContact CD2-CB 4.46Å; S692-E695 WeakPolarHBondContact CB-OE2 3.13Å; S692-E695 PolarHBondContact N-OE2 3Å; S692-E695 PolarHBondContact O-N 2.83Å; S692-E695 WeakPolarHBondContact OG-CB 3.34Å; S692-E695 VanDerWaalsContact OG-CD 3.27Å; S692-E695 VanDerWaalsContact OG-CG 3.23Å; S692-E695 WeakPolarHBondContact OG-CG 3.45Å; S692-E695 PolarHBondContact OG-N 3.29Å; S692-E695 VanDerWaalsContact OG-N 3.16Å; S692-E695 PolarHBondContact OG-OE2 3.42Å; E695-E697 PolarHBondContact O-N 3.46Å; E695-R698 PolarHBondContact O-N 3.48Å; E695-I699 WeakPolarHBondContact O-CD1 3.3Å; E695-I699 WeakPolarHBondContact O-CG1 3.34Å; E695-I699 PolarHBondContact O-N 3.01Å; E695-I699 VanDerWaalsContact O-N 3.12Å
696	V	90.1	Very high	88.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-36.3	175.7	171.4	0	0	0	0	111.6	L691 S692 G693 L704 F714 H721 K724 I725	L691-V696 HydrophobicContact CB-CG2 4.25Å; S692-V696 WeakPolarHBondContact O-CG2 3.24Å; S692-V696 PolarHBondContact O-N 3.4Å; G693-V696 PolarHBondContact O-N 2.92Å; V696-L704 HydrophobicContact CG1-CD2 4.14Å; V696-F714 HydrophobicContact CG2-CD1 3.66Å; V696-F714 HydrophobicContact CG2-CE1 3.64Å; V696-H721 HydrophobicContact CG1-CB 4.25Å; V696-K724 HydrophobicContact CG1-CD 4.15Å; V696-K724 WeakPolarHBondContact O-CE 3.27Å; V696-K724 PolarHBondContact O-NZ 3.38Å; V696-I725 HydrophobicContact CG1-CD1 4.49Å; V696-I725 HydrophobicContact CG1-CG1 4.07Å; V696-I725 HydrophobicContact CG2-CD1 4.49Å; V696-I725 HydrophobicContact CG2-CG1 4.46Å
697	E	84.9	Confident	88.5	Confident	80 Å²	80	61 Å²	61	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-43.2	177.8	-168.7	141.1	-134.9	0	0	111.5	R222 G693 E694 E695 H721 K724	R222-E697 IonicContact CZ-OE2 3.53Å; R222-E697 IonicContact NH1-OE2 2.86Å; R222-E697 IonicContact NH2-OE2 3.36Å; R222-E697 PolarHBondContact NH2-OE2 3.37Å; G693-E697 WeakPolarHBondContact O-CB 3.21Å; G693-E697 PolarHBondContact O-N 3.25Å; E694-E697 PolarHBondContact O-N 2.81Å; E695-E697 PolarHBondContact O-N 3.46Å; E697-H721 IonicContact OE1-NE2 2.77Å; E697-H721 IonicContact OE2-CE1 3.75Å; E697-H721 IonicContact OE2-NE2 3.78Å; E697-H721 PolarHBondContact OE2-NE2 3.29Å; E697-H721 VanDerWaalsContact OE2-NE2 3.15Å; E697-K724 PolarHBondContact O-NZ 3.35Å; E697-K724 VanDerWaalsContact O-NZ 3.08Å
698	R	87.1	Confident	88.8	Confident	189 Å²	189	57.3 Å²	57.3	71%	0.713	29%	0.289	S	S	*	.	H	α-helix	trans	-69.1	-32	-179.7	-67.7	175	-171.3	-165.4	3.5	114.5	E694 E695	E694-R698 WeakPolarHBondContact O-CG 3.39Å; E694-R698 PolarHBondContact O-N 3.5Å; E694-R698 VanDerWaalsContact O-N 3.15Å; E694-R698 IonicContact OE1-CZ 3.94Å; E694-R698 IonicContact OE1-NE 2.72Å; E694-R698 IonicContact OE1-NH2 3.77Å; E694-R698 PolarHBondContact OE1-NH2 2.89Å; E695-R698 PolarHBondContact O-N 3.48Å
699	I	87.3	Confident	88.6	Confident	44 Å²	44	61.3 Å²	61.3	23%	0.226	30%	0.3	C	S	.	.	S	Bend	trans	-82.9	139.5	-174.5	-62.5	164.6	0	0	0	110.4	E695 Q703 L704 K724	E695-I699 WeakPolarHBondContact O-CD1 3.3Å; E695-I699 WeakPolarHBondContact O-CG1 3.34Å; E695-I699 PolarHBondContact O-N 3.01Å; E695-I699 VanDerWaalsContact O-N 3.12Å; I699-Q703 HydrophobicContact CG2-CB 3.35Å; I699-L704 HydrophobicContact CG2-CB 4.24Å; I699-K724 VanDerWaalsContact O-CE 3.26Å; I699-K724 WeakPolarHBondContact O-CE 3.43Å; I699-K724 PolarHBondContact O-NZ 2.89Å
700	S	88.3	Confident	88.5	Confident	44 Å²	44	63.1 Å²	63.1	31%	0.308	31%	0.31	S	S	.	.			trans	-68.5	162.9	175.1	88.5	0	0	0	0	111.9	E702 Q703 L704	S700-E702 VanDerWaalsContact C-N 3.29Å; S700-E702 VanDerWaalsContact CB-OE2 3.31Å; S700-E702 WeakPolarHBondContact CB-OE2 3.16Å; S700-E702 PolarHBondContact O-N 3.12Å; S700-E702 PolarHBondContact OG-N 3.22Å; S700-E702 PolarHBondContact OG-OE2 3.04Å; S700-Q703 PolarHBondContact O-N 2.97Å; S700-Q703 PolarHBondContact OG-N 3.39Å; S700-L704 WeakPolarHBondContact O-CB 3.32Å; S700-L704 PolarHBondContact O-N 2.95Å
701	V	85.1	Confident	88.5	Confident	39 Å²	39	62.5 Å²	62.5	24%	0.236	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-39.3	178.9	-176.8	0	0	0	0	110.7	Q703 L704 M705 K724 A728	V701-Q703 PolarHBondContact O-N 3.01Å; V701-L704 PolarHBondContact O-N 3.38Å; V701-M705 WeakPolarHBondContact O-CG 3.31Å; V701-M705 PolarHBondContact O-N 3.05Å; V701-K724 HydrophobicContact CG2-CG 4.21Å; V701-A728 HydrophobicContact CG1-CB 4.19Å
702	E	87.2	Confident	88.5	Confident	133 Å²	133	62.7 Å²	62.7	62%	0.621	31%	0.308	S	S	*	.	H	α-helix	trans	-65.4	-40.4	179	-53.8	79.2	-167.4	0	0	112.1	S700 M705	S700-E702 VanDerWaalsContact C-N 3.29Å; S700-E702 VanDerWaalsContact CB-OE2 3.31Å; S700-E702 WeakPolarHBondContact CB-OE2 3.16Å; S700-E702 PolarHBondContact O-N 3.12Å; S700-E702 PolarHBondContact OG-N 3.22Å; S700-E702 PolarHBondContact OG-OE2 3.04Å; E702-M705 WeakPolarHBondContact O-CB 3.28Å; E702-M705 PolarHBondContact O-N 3.38Å
703	Q	89.1	Confident	88.7	Confident	115 Å²	115	62 Å²	62	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-41.7	174.9	-72.4	176.8	-17.8	0	0	110.8	I699 S700 V701 M705 S706	I699-Q703 HydrophobicContact CG2-CB 3.35Å; S700-Q703 PolarHBondContact O-N 2.97Å; S700-Q703 PolarHBondContact OG-N 3.39Å; V701-Q703 PolarHBondContact O-N 3.01Å; Q703-M705 VanDerWaalsContact C-N 3.28Å; Q703-M705 PolarHBondContact O-N 3.32Å; Q703-S706 PolarHBondContact O-N 3Å; Q703-S706 VanDerWaalsContact O-N 3.13Å; Q703-S706 PolarHBondContact O-OG 2.85Å
704	L	89.4	Confident	89.1	Confident	1 Å²	1	62 Å²	62	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-37.3	178	-172.8	59.8	0	0	0	111.4	L691 V696 I699 S700 V701 S706 V707 V708 K724 A728	L691-L704 HydrophobicContact CD1-CD1 4.24Å; V696-L704 HydrophobicContact CG1-CD2 4.14Å; I699-L704 HydrophobicContact CG2-CB 4.24Å; S700-L704 WeakPolarHBondContact O-CB 3.32Å; S700-L704 PolarHBondContact O-N 2.95Å; V701-L704 PolarHBondContact O-N 3.38Å; L704-S706 PolarHBondContact O-N 2.74Å; L704-V707 PolarHBondContact O-N 3.48Å; L704-V707 VanDerWaalsContact O-N 3.08Å; L704-V708 HydrophobicContact CG-CB 4.45Å; L704-V708 VanDerWaalsContact O-CB 3.23Å; L704-V708 WeakPolarHBondContact O-CB 3.38Å; L704-V708 PolarHBondContact O-N 3.37Å; L704-K724 HydrophobicContact CD2-CG 4.3Å; L704-A728 HydrophobicContact CB-CB 4.14Å; L704-A728 HydrophobicContact CD2-CB 3.75Å; L704-A728 HydrophobicContact CG-CB 3.81Å
705	M	89.6	Confident	89.4	Confident	52 Å²	52	58 Å²	58	26%	0.256	28%	0.283	S	S	.	.	H	α-helix	trans	-55.6	-34.4	175.7	-70.3	169.9	62.2	0	0	113.5	V701 E702 Q703 V707 A728 Q731	V701-M705 WeakPolarHBondContact O-CG 3.31Å; V701-M705 PolarHBondContact O-N 3.05Å; E702-M705 WeakPolarHBondContact O-CB 3.28Å; E702-M705 PolarHBondContact O-N 3.38Å; Q703-M705 VanDerWaalsContact C-N 3.28Å; Q703-M705 PolarHBondContact O-N 3.32Å; M705-V707 VanDerWaalsContact C-N 3.33Å; M705-A728 HydrophobicContact CG-CB 4.3Å; M705-A728 WeakPolarHBondContact CG-O 3.44Å; M705-Q731 HydrophobicContact CE-CB 3.83Å; M705-Q731 VanDerWaalsContact CE-O 3.25Å; M705-Q731 WeakPolarHBondContact CE-O 3.42Å; M705-Q731 HydrophobicContact CG-CB 4.28Å; M705-Q731 HydrophobicContact SD-CB 3.65Å; M705-Q731 PolarHBondContact SD-OE1 2.84Å
706	S	86.5	Confident	89	Confident	90 Å²	90	62.5 Å²	62.5	63%	0.629	30%	0.296	S	S	*	.	H	α-helix	trans	-72.2	-28.6	-179.8	71.7	0	0	0	0	113.1	Q703 L704	Q703-S706 PolarHBondContact O-N 3Å; Q703-S706 VanDerWaalsContact O-N 3.13Å; Q703-S706 PolarHBondContact O-OG 2.85Å; L704-S706 PolarHBondContact O-N 2.74Å
707	V	90.4	Very high	88.7	Confident	48 Å²	48	62.7 Å²	62.7	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-103.1	-32.5	-172.3	-170.3	0	0	0	0	111.9	L689 L691 L704 M705 R709 N710 V711	L689-V707 HydrophobicContact CD2-CG1 3.32Å; L691-V707 HydrophobicContact CD1-CG1 4.41Å; L704-V707 PolarHBondContact O-N 3.48Å; L704-V707 VanDerWaalsContact O-N 3.08Å; M705-V707 VanDerWaalsContact C-N 3.33Å; V707-R709 PolarHBondContact O-N 3.44Å; V707-N710 PolarHBondContact O-N 3.43Å; V707-V711 HydrophobicContact CG1-CG2 3.99Å; V707-V711 PolarHBondContact O-N 3.38Å
708	V	90.5	Very high	88.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27	-171.4	74.7	0	0	0	0	113.4	R662 L704 N710 V711 F714 I725 L729	R662-V708 PolarHBondContact NH1-O 3.35Å; L704-V708 HydrophobicContact CG-CB 4.45Å; L704-V708 VanDerWaalsContact O-CB 3.23Å; L704-V708 WeakPolarHBondContact O-CB 3.38Å; L704-V708 PolarHBondContact O-N 3.37Å; V708-N710 PolarHBondContact O-N 3.41Å; V708-V711 PolarHBondContact O-N 3.33Å; V708-F714 HydrophobicContact CG2-CE2 4.48Å; V708-F714 HydrophobicContact CG2-CZ 4.07Å; V708-I725 HydrophobicContact CG2-CG2 4.37Å; V708-L729 HydrophobicContact CB-CD2 4.4Å; V708-L729 HydrophobicContact CG1-CD2 3.92Å; V708-L729 HydrophobicContact CG1-CG 4.39Å; V708-L729 HydrophobicContact CG2-CD1 4.43Å; V708-L729 HydrophobicContact CG2-CD2 3.66Å; V708-L729 HydrophobicContact CG2-CG 3.7Å
709	R	86.7	Confident	87.7	Confident	141 Å²	141	52.4 Å²	52.4	53%	0.532	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.6	176.2	-69.8	-175.2	173.8	-175	-1.7	114.1	R662 V707 S732	R662-R709 PolarHBondContact NH1-O 3.24Å; R662-R709 VanDerWaalsContact NH1-O 3.17Å; R662-R709 PolarHBondContact NH2-O 2.93Å; V707-R709 PolarHBondContact O-N 3.44Å; R709-S732 PolarHBondContact NH2-O 3.36Å
710	N	90.1	Very high	87.3	Confident	111 Å²	111	53.3 Å²	53.3	59%	0.594	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-13.7	-179	-62.7	-17.9	0	0	0	112.9	L689 V707 V708	L689-N710 HydrophobicContact CD2-CB 4.4Å; V707-N710 PolarHBondContact O-N 3.43Å; V708-N710 PolarHBondContact O-N 3.41Å
711	V	92.7	Very high	87.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.8	-176.3	-175.5	0	0	0	0	111.6	R662 L689 L691 V707 V708 F714	R662-V711 VanDerWaalsContact NH2-N 3.2Å; R662-V711 PolarHBondContact NH2-O 3.39Å; L689-V711 HydrophobicContact CD2-CG2 3.7Å; L689-V711 HydrophobicContact CG-CG2 4.03Å; L689-V711 WeakPolarHBondContact O-CA 3.27Å; L691-V711 HydrophobicContact CB-CG1 4.34Å; L691-V711 HydrophobicContact CD1-CG1 4.4Å; L691-V711 HydrophobicContact CD1-CG2 3.55Å; L691-V711 HydrophobicContact CG-CG1 4.24Å; L691-V711 HydrophobicContact CG-CG2 3.95Å; V707-V711 HydrophobicContact CG1-CG2 3.99Å; V707-V711 PolarHBondContact O-N 3.38Å; V708-V711 PolarHBondContact O-N 3.33Å; V711-F714 HydrophobicContact CB-CE1 4.43Å; V711-F714 HydrophobicContact CB-CE2 3.87Å; V711-F714 HydrophobicContact CB-CZ 3.7Å; V711-F714 HydrophobicContact CG1-CD1 4.18Å; V711-F714 HydrophobicContact CG1-CD2 3.88Å; V711-F714 HydrophobicContact CG1-CE1 3.82Å; V711-F714 HydrophobicContact CG1-CE2 3.47Å; V711-F714 VanDerWaalsContact CG1-CE2 3.47Å; V711-F714 HydrophobicContact CG1-CG 4.23Å; V711-F714 HydrophobicContact CG1-CZ 3.43Å; V711-F714 VanDerWaalsContact CG1-CZ 3.43Å; V711-F714 HydrophobicContact CG2-CZ 4.1Å
712	T	93.2	Very high	87.4	Confident	19 Å²	19	49.8 Å²	49.8	12%	0.117	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-31.6	-179.6	53.1	0	0	0	0	113	M665 D688 L689	M665-T712 PolarHBondContact N-O 3.29Å; D688-T712 HydrophobicContact CB-CG2 4.09Å; D688-T712 WeakPolarHBondContact CB-OG1 3.28Å; L689-T712 PolarHBondContact O-N 2.95Å
713	V	94.9	Very high	87.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.6	-176.1	-178.3	0	0	0	0	110.7	M665 A674 Y684 C690 L691	M665-V713 HydrophobicContact CB-CG2 4.38Å; M665-V713 WeakPolarHBondContact O-CA 3.49Å; M665-V713 HydrophobicContact SD-CG1 4.44Å; A674-V713 HydrophobicContact CB-CG1 3.67Å; Y684-V713 HydrophobicContact CD2-CG2 4.19Å; Y684-V713 HydrophobicContact CG-CG2 4.48Å; C690-V713 WeakPolarHBondContact CA-O 3.44Å; C690-V713 HydrophobicContact CB-CB 4.39Å; C690-V713 WeakPolarHBondContact CB-O 3.23Å; L691-V713 PolarHBondContact N-O 2.82Å; L691-V713 VanDerWaalsContact N-O 3.09Å
714	F	94.3	Very high	87.4	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.2	165.4	-67.4	-89	0	0	0	109.3	I664 M665 I666 T667 L691 V696 V708 V711 I725	I664-F714 HydrophobicContact CG2-CD2 3.73Å; I664-F714 HydrophobicContact CG2-CE2 3.84Å; M665-F714 PolarHBondContact O-N 3.41Å; I666-F714 HydrophobicContact CB-CB 4.33Å; I666-F714 HydrophobicContact CG1-CB 4.28Å; I666-F714 HydrophobicContact CG1-CD2 4.03Å; I666-F714 HydrophobicContact CG2-CB 3.97Å; T667-F714 PolarHBondContact N-O 2.95Å; L691-F714 HydrophobicContact CB-CD1 3.85Å; L691-F714 HydrophobicContact CB-CE1 3.85Å; L691-F714 HydrophobicContact CD1-CE1 3.89Å; L691-F714 HydrophobicContact CG-CE1 4.42Å; L691-F714 VanDerWaalsContact O-CA 3.27Å; L691-F714 WeakPolarHBondContact O-CA 3.43Å; V696-F714 HydrophobicContact CG2-CD1 3.66Å; V696-F714 HydrophobicContact CG2-CE1 3.64Å; V708-F714 HydrophobicContact CG2-CE2 4.48Å; V708-F714 HydrophobicContact CG2-CZ 4.07Å; V711-F714 HydrophobicContact CB-CE1 4.43Å; V711-F714 HydrophobicContact CB-CE2 3.87Å; V711-F714 HydrophobicContact CB-CZ 3.7Å; V711-F714 HydrophobicContact CG1-CD1 4.18Å; V711-F714 HydrophobicContact CG1-CD2 3.88Å; V711-F714 HydrophobicContact CG1-CE1 3.82Å; V711-F714 HydrophobicContact CG1-CE2 3.47Å; V711-F714 VanDerWaalsContact CG1-CE2 3.47Å; V711-F714 HydrophobicContact CG1-CG 4.23Å; V711-F714 HydrophobicContact CG1-CZ 3.43Å; V711-F714 VanDerWaalsContact CG1-CZ 3.43Å; V711-F714 HydrophobicContact CG2-CZ 4.1Å; F714-I725 HydrophobicContact CB-CD1 3.96Å; F714-I725 HydrophobicContact CD1-CD1 3.5Å; F714-I725 HydrophobicContact CD1-CG1 4.05Å; F714-I725 HydrophobicContact CD2-CD1 4.01Å; F714-I725 HydrophobicContact CD2-CG2 4.23Å; F714-I725 HydrophobicContact CE1-CD1 3.89Å; F714-I725 HydrophobicContact CE1-CG1 3.89Å; F714-I725 HydrophobicContact CE2-CD1 4.37Å; F714-I725 HydrophobicContact CE2-CG1 4.46Å; F714-I725 HydrophobicContact CE2-CG2 3.79Å; F714-I725 HydrophobicContact CG-CD1 3.55Å; F714-I725 HydrophobicContact CG-CG1 4.38Å; F714-I725 HydrophobicContact CZ-CD1 4.32Å; F714-I725 HydrophobicContact CZ-CG1 4.12Å; F714-I725 HydrophobicContact CZ-CG2 4Å
715	Y	89.4	Confident	87.6	Confident	34 Å²	34	40.9 Å²	40.9	13%	0.133	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	162.3	-175.8	64.9	-89.8	0	0	0	110.9	T667 D669 K671 C690 L691 S692 G693 S717	T667-Y715 CarbonylContact O-C 3.47Å; T667-Y715 VanDerWaalsContact O-C 3.29Å; T667-Y715 WeakPolarHBondContact O-CA 3.48Å; D669-Y715 WeakPolarHBondContact O-CB 3.38Å; K671-Y715 HydrophobicContact CB-CD1 4.19Å; K671-Y715 HydrophobicContact CB-CD2 3.85Å; K671-Y715 HydrophobicContact CB-CE1 4.18Å; K671-Y715 HydrophobicContact CB-CE2 3.85Å; K671-Y715 HydrophobicContact CB-CG 4.01Å; K671-Y715 HydrophobicContact CD-CE1 3.96Å; K671-Y715 HydrophobicContact CG-CD1 4.11Å; K671-Y715 HydrophobicContact CG-CE1 3.93Å; K671-Y715 HydrophobicContact CG-CE2 4.45Å; K671-Y715 HydrophobicContact CG-CG 4.44Å; C690-Y715 HydrophobicContact CB-CD1 4.18Å; C690-Y715 HydrophobicContact CB-CE1 3.99Å; L691-Y715 VanDerWaalsContact C-CE1 3.43Å; L691-Y715 VanDerWaalsContact O-CD1 3.32Å; L691-Y715 WeakPolarHBondContact O-CD1 3.39Å; L691-Y715 PolarHBondContact O-N 3.16Å; S692-Y715 CarbonylContact C-O 3.48Å; S692-Y715 WeakPolarHBondContact CA-O 3.42Å; S692-Y715 VanDerWaalsContact CB-CE2 3.44Å; G693-Y715 PolarHBondContact N-O 2.61Å; Y715-S717 PolarHBondContact O-N 3.09Å; Y715-S717 VanDerWaalsContact O-N 3.1Å; Y715-S717 PolarHBondContact O-OG 3.26Å
716	R	83.1	Confident	87.8	Confident	173 Å²	173	38.4 Å²	38.4	65%	0.653	19%	0.191	S	C	*	.	S	Bend	trans	45.9	39.5	-171.8	-68.8	-171.6	175.6	-167.9	-0	113.3	T667 G668 D669 G693	T667-R716 PolarHBondContact O-N 3.28Å; T667-R716 VanDerWaalsContact O-N 3.1Å; G668-R716 WeakPolarHBondContact O-CA 3.42Å; D669-R716 PolarHBondContact O-N 3.25Å; G693-R716 WeakPolarHBondContact CA-O 2.89Å
717	S	82.9	Confident	88.1	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.021	18%	0.176	C	C	.	.			trans	-98	111.4	-173.4	-69	0	0	0	0	111.7	T667 Y715	T667-S717 WeakPolarHBondContact O-CB 3.49Å; T667-S717 PolarHBondContact O-N 2.79Å; Y715-S717 PolarHBondContact O-N 3.09Å; Y715-S717 VanDerWaalsContact O-N 3.1Å; Y715-S717 PolarHBondContact O-OG 3.26Å
718	G	75.5	Confident	88.2	Confident	21 Å²	21	35.2 Å²	35.2	22%	0.216	16%	0.162	C	C	.	.			trans	-83.6	-179.5	172.8	0	0	0	0	0	113.6	K720 H721 K722	G718-K720 PolarHBondContact O-N 2.99Å; G718-H721 PolarHBondContact N-ND1 3.19Å; G718-H721 VanDerWaalsContact N-ND1 3.18Å; G718-H721 WeakPolarHBondContact O-CB 3.24Å; G718-H721 PolarHBondContact O-N 3.05Å; G718-K722 PolarHBondContact O-N 3.43Å
719	P	76	Confident	88.4	Confident	33 Å²	33	35.2 Å²	35.2	21%	0.214	16%	0.162	C	C	.	.	H	α-helix	trans	-56.5	-43.9	-172	-25.8	33.5	0	0	0	114.4	H721 K722 C723 N744	P719-H721 VanDerWaalsContact C-N 3.32Å; P719-H721 PolarHBondContact O-N 3.41Å; P719-K722 PolarHBondContact O-N 2.81Å; P719-C723 PolarHBondContact O-N 3.38Å; P719-C723 VanDerWaalsContact O-N 3.11Å; P719-N744 HydrophobicContact CG-CB 3.98Å
720	K	77.5	Confident	88.7	Confident	63 Å²	63	30.4 Å²	30.4	27%	0.274	15%	0.146	S	C	.	.	H	α-helix	trans	-59.7	-41.2	175.7	-88.7	174.7	170.1	178.6	0	112.5	N215 V218 G718 C723 K724	N215-K720 PolarHBondContact OD1-NZ 3.18Å; V218-K720 HydrophobicContact CB-CD 4.02Å; V218-K720 HydrophobicContact CG1-CD 3.52Å; V218-K720 VanDerWaalsContact CG1-CE 3.49Å; V218-K720 HydrophobicContact CG1-CG 3.85Å; V218-K720 HydrophobicContact CG2-CD 4.42Å; G718-K720 PolarHBondContact O-N 2.99Å; K720-C723 PolarHBondContact O-N 3.03Å; K720-K724 WeakPolarHBondContact O-CB 3.38Å; K720-K724 PolarHBondContact O-N 3.23Å
721	H	86	Confident	88.7	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.032	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-44.6	-179.3	-48.8	157.3	0	0	0	109.7	R222 G693 V696 E697 G718 P719 C723 K724 I725	R222-H721 PolarHBondContact NH2-CE1 2.91Å; R222-H721 VanDerWaalsContact NH2-CE1 3.31Å; R222-H721 PolarHBondContact NH2-NE2 3.4Å; R222-H721 VanDerWaalsContact NH2-NE2 3.15Å; G693-H721 WeakPolarHBondContact CA-ND1 3.43Å; G693-H721 PolarHBondContact O-CE1 3.21Å; V696-H721 HydrophobicContact CG1-CB 4.25Å; E697-H721 IonicContact OE1-NE2 2.77Å; E697-H721 IonicContact OE2-CE1 3.75Å; E697-H721 IonicContact OE2-NE2 3.78Å; E697-H721 PolarHBondContact OE2-NE2 3.29Å; E697-H721 VanDerWaalsContact OE2-NE2 3.15Å; G718-H721 PolarHBondContact N-ND1 3.19Å; G718-H721 VanDerWaalsContact N-ND1 3.18Å; G718-H721 WeakPolarHBondContact O-CB 3.24Å; G718-H721 PolarHBondContact O-N 3.05Å; P719-H721 VanDerWaalsContact C-N 3.32Å; P719-H721 PolarHBondContact O-N 3.41Å; H721-C723 PolarHBondContact O-N 3.37Å; H721-K724 PolarHBondContact O-N 3.31Å; H721-I725 WeakPolarHBondContact O-CD1 3.38Å; H721-I725 WeakPolarHBondContact O-CG1 3.17Å; H721-I725 PolarHBondContact O-N 3.16Å
722	K	90	Very high	88.6	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-54.4	-50.1	176.1	-62.7	-170.8	171.4	-175.5	0	111	D364 I666 G718 P719 K724 I725 V726 M738 D745 A748	D364-K722 VanDerWaalsContact CG-NZ 3.31Å; D364-K722 IonicContact OD1-NZ 3.2Å; D364-K722 IonicContact OD2-NZ 3.5Å; D364-K722 PolarHBondContact OD2-NZ 3.48Å; I666-K722 HydrophobicContact CG2-CD 4.49Å; I666-K722 HydrophobicContact CG2-CG 3.76Å; G718-K722 PolarHBondContact O-N 3.43Å; P719-K722 PolarHBondContact O-N 2.81Å; K722-K724 PolarHBondContact O-N 2.77Å; K722-I725 PolarHBondContact O-N 3.42Å; K722-V726 WeakPolarHBondContact O-CG2 3.4Å; K722-V726 PolarHBondContact O-N 2.82Å; K722-V726 VanDerWaalsContact O-N 3.1Å; K722-M738 HydrophobicContact CB-CE 4.08Å; K722-M738 HydrophobicContact CD-CE 3.87Å; K722-M738 HydrophobicContact CG-CE 4.31Å; K722-D745 VanDerWaalsContact CD-OD1 3.24Å; K722-D745 WeakPolarHBondContact CD-OD1 3.33Å; K722-D745 WeakPolarHBondContact CE-OD1 3.49Å; K722-D745 IonicContact NZ-OD1 3.43Å; K722-D745 PolarHBondContact NZ-OD1 2.92Å; K722-D745 IonicContact NZ-OD2 3.15Å; K722-A748 HydrophobicContact CB-CB 3.71Å
723	C	87.9	Confident	88.3	Confident	13 Å²	13	36.5 Å²	36.5	9%	0.088	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176.8	-178.7	0	0	0	0	112.7	P719 K720 H721 I725 V726 K727 I747 S751	P719-C723 PolarHBondContact O-N 3.38Å; P719-C723 VanDerWaalsContact O-N 3.11Å; K720-C723 PolarHBondContact O-N 3.03Å; H721-C723 PolarHBondContact O-N 3.37Å; C723-I725 VanDerWaalsContact C-N 3.33Å; C723-I725 PolarHBondContact O-N 3.25Å; C723-V726 PolarHBondContact O-N 3.04Å; C723-K727 WeakPolarHBondContact O-CG 3.38Å; C723-K727 PolarHBondContact O-N 2.81Å; C723-I747 HydrophobicContact CB-CG2 4.25Å; C723-S751 PolarHBondContact SG-OG 3.4Å; C723-S751 VanDerWaalsContact SG-OG 3.37Å
724	K	89.4	Confident	88.2	Confident	49 Å²	49	38.4 Å²	38.4	21%	0.213	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-39.7	179	-168.3	176.1	-177.8	-176.7	0	112.4	V696 E697 I699 V701 L704 K720 H721 K722 K727 A728	V696-K724 HydrophobicContact CG1-CD 4.15Å; V696-K724 WeakPolarHBondContact O-CE 3.27Å; V696-K724 PolarHBondContact O-NZ 3.38Å; E697-K724 PolarHBondContact O-NZ 3.35Å; E697-K724 VanDerWaalsContact O-NZ 3.08Å; I699-K724 VanDerWaalsContact O-CE 3.26Å; I699-K724 WeakPolarHBondContact O-CE 3.43Å; I699-K724 PolarHBondContact O-NZ 2.89Å; V701-K724 HydrophobicContact CG2-CG 4.21Å; L704-K724 HydrophobicContact CD2-CG 4.3Å; K720-K724 WeakPolarHBondContact O-CB 3.38Å; K720-K724 PolarHBondContact O-N 3.23Å; H721-K724 PolarHBondContact O-N 3.31Å; K722-K724 PolarHBondContact O-N 2.77Å; K724-K727 PolarHBondContact O-N 3.14Å; K724-A728 WeakPolarHBondContact O-CB 3.19Å; K724-A728 PolarHBondContact O-N 3.4Å
725	I	93.7	Very high	88.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-47.3	176.2	-65.8	158	0	0	0	110.4	I666 V696 V708 F714 H721 K722 C723 K727 A728 L729	I666-I725 HydrophobicContact CD1-CB 4.2Å; I666-I725 HydrophobicContact CD1-CD1 4.18Å; I666-I725 HydrophobicContact CD1-CG2 3.67Å; I666-I725 HydrophobicContact CG2-CD1 3.92Å; V696-I725 HydrophobicContact CG1-CD1 4.49Å; V696-I725 HydrophobicContact CG1-CG1 4.07Å; V696-I725 HydrophobicContact CG2-CD1 4.49Å; V696-I725 HydrophobicContact CG2-CG1 4.46Å; V708-I725 HydrophobicContact CG2-CG2 4.37Å; F714-I725 HydrophobicContact CB-CD1 3.96Å; F714-I725 HydrophobicContact CD1-CD1 3.5Å; F714-I725 HydrophobicContact CD1-CG1 4.05Å; F714-I725 HydrophobicContact CD2-CD1 4.01Å; F714-I725 HydrophobicContact CD2-CG2 4.23Å; F714-I725 HydrophobicContact CE1-CD1 3.89Å; F714-I725 HydrophobicContact CE1-CG1 3.89Å; F714-I725 HydrophobicContact CE2-CD1 4.37Å; F714-I725 HydrophobicContact CE2-CG1 4.46Å; F714-I725 HydrophobicContact CE2-CG2 3.79Å; F714-I725 HydrophobicContact CG-CD1 3.55Å; F714-I725 HydrophobicContact CG-CG1 4.38Å; F714-I725 HydrophobicContact CZ-CD1 4.32Å; F714-I725 HydrophobicContact CZ-CG1 4.12Å; F714-I725 HydrophobicContact CZ-CG2 4Å; H721-I725 WeakPolarHBondContact O-CD1 3.38Å; H721-I725 WeakPolarHBondContact O-CG1 3.17Å; H721-I725 PolarHBondContact O-N 3.16Å; K722-I725 PolarHBondContact O-N 3.42Å; C723-I725 VanDerWaalsContact C-N 3.33Å; C723-I725 PolarHBondContact O-N 3.25Å; I725-K727 PolarHBondContact O-N 2.91Å; I725-A728 PolarHBondContact O-N 3.45Å; I725-L729 HydrophobicContact CG2-CD1 4.11Å; I725-L729 WeakPolarHBondContact O-CG 3.44Å; I725-L729 PolarHBondContact O-N 2.9Å
726	V	93.9	Very high	88.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-47.8	176.9	170.5	0	0	0	0	110.8	K722 C723 A728 L729 Q730 V736 M738 A748	K722-V726 WeakPolarHBondContact O-CG2 3.4Å; K722-V726 PolarHBondContact O-N 2.82Å; K722-V726 VanDerWaalsContact O-N 3.1Å; C723-V726 PolarHBondContact O-N 3.04Å; V726-A728 PolarHBondContact O-N 2.79Å; V726-L729 PolarHBondContact O-N 2.86Å; V726-Q730 HydrophobicContact CG1-CG 4.48Å; V726-Q730 WeakPolarHBondContact O-CG 3.4Å; V726-Q730 PolarHBondContact O-N 3.37Å; V726-V736 HydrophobicContact CG1-CG1 4.24Å; V726-V736 HydrophobicContact CG2-CG1 4.37Å; V726-M738 HydrophobicContact CG2-SD 3.69Å; V726-A748 HydrophobicContact CG2-CB 4.41Å
727	K	91.8	Very high	89	Confident	70 Å²	70	28.9 Å²	28.9	30%	0.304	15%	0.15	S	C	.	.	H	α-helix	trans	-62.1	-41.1	178.7	-72.4	-178.4	176.5	178.2	0	112.5	E265 C723 K724 I725 L729 Q730 Q731	E265-K727 VanDerWaalsContact OE1-CE 3.23Å; E265-K727 WeakPolarHBondContact OE1-CE 3.37Å; E265-K727 IonicContact OE1-NZ 3.22Å; E265-K727 PolarHBondContact OE1-NZ 2.93Å; E265-K727 IonicContact OE2-NZ 2.63Å; C723-K727 WeakPolarHBondContact O-CG 3.38Å; C723-K727 PolarHBondContact O-N 2.81Å; K724-K727 PolarHBondContact O-N 3.14Å; I725-K727 PolarHBondContact O-N 2.91Å; K727-L729 PolarHBondContact O-N 3.06Å; K727-Q730 PolarHBondContact O-N 2.82Å; K727-Q731 WeakPolarHBondContact O-CB 3.4Å; K727-Q731 VanDerWaalsContact O-CG 3.32Å; K727-Q731 WeakPolarHBondContact O-CG 3.38Å; K727-Q731 PolarHBondContact O-N 3.38Å
728	A	93.5	Very high	89.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-37.3	177	0	0	0	0	0	112.7	V701 L704 M705 K724 I725 V726 S732	V701-A728 HydrophobicContact CG1-CB 4.19Å; L704-A728 HydrophobicContact CB-CB 4.14Å; L704-A728 HydrophobicContact CD2-CB 3.75Å; L704-A728 HydrophobicContact CG-CB 3.81Å; M705-A728 HydrophobicContact CG-CB 4.3Å; M705-A728 WeakPolarHBondContact CG-O 3.44Å; K724-A728 WeakPolarHBondContact O-CB 3.19Å; K724-A728 PolarHBondContact O-N 3.4Å; I725-A728 PolarHBondContact O-N 3.45Å; V726-A728 PolarHBondContact O-N 2.79Å; A728-S732 PolarHBondContact O-N 2.94Å; A728-S732 PolarHBondContact O-OG 2.86Å
729	L	94.6	Very high	90.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-46.5	173.7	-74.5	165.6	0	0	0	111.3	V360 C362 I664 V708 I725 V726 K727 Q731 S732 L734 V736	V360-L729 HydrophobicContact CG1-CD1 4.04Å; V360-L729 HydrophobicContact CG1-CD2 4.39Å; V360-L729 HydrophobicContact CG2-CD2 4.4Å; C362-L729 WeakPolarHBondContact SG-CD1 3.15Å; I664-L729 HydrophobicContact CD1-CD1 4.01Å; I664-L729 HydrophobicContact CD1-CD2 4.12Å; V708-L729 HydrophobicContact CB-CD2 4.4Å; V708-L729 HydrophobicContact CG1-CD2 3.92Å; V708-L729 HydrophobicContact CG1-CG 4.39Å; V708-L729 HydrophobicContact CG2-CD1 4.43Å; V708-L729 HydrophobicContact CG2-CD2 3.66Å; V708-L729 HydrophobicContact CG2-CG 3.7Å; I725-L729 HydrophobicContact CG2-CD1 4.11Å; I725-L729 WeakPolarHBondContact O-CG 3.44Å; I725-L729 PolarHBondContact O-N 2.9Å; V726-L729 PolarHBondContact O-N 2.86Å; K727-L729 PolarHBondContact O-N 3.06Å; L729-Q731 PolarHBondContact O-N 3.19Å; L729-S732 WeakPolarHBondContact O-CA 3.32Å; L729-S732 VanDerWaalsContact O-CB 3.28Å; L729-S732 WeakPolarHBondContact O-CB 3.49Å; L729-S732 PolarHBondContact O-N 2.95Å; L729-L734 HydrophobicContact CD2-CD1 3.95Å; L729-L734 WeakPolarHBondContact O-CB 3.28Å; L729-L734 PolarHBondContact O-N 3.08Å; L729-V736 HydrophobicContact CB-CG2 3.43Å; L729-V736 VanDerWaalsContact CB-CG2 3.43Å; L729-V736 HydrophobicContact CD1-CG1 4.23Å; L729-V736 HydrophobicContact CD1-CG2 4.36Å
730	Q	92.5	Very high	91.3	Very high	41 Å²	41	26.2 Å²	26.2	19%	0.192	13%	0.128	C	C	.	.	H	α-helix	trans	-59.2	-46.9	177.8	-73.8	172.3	-35.4	0	0	112.2	V726 K727 S732 N733 L734 V736 S751 D753	V726-Q730 HydrophobicContact CG1-CG 4.48Å; V726-Q730 WeakPolarHBondContact O-CG 3.4Å; V726-Q730 PolarHBondContact O-N 3.37Å; K727-Q730 PolarHBondContact O-N 2.82Å; Q730-S732 PolarHBondContact O-N 2.69Å; Q730-S732 VanDerWaalsContact O-N 3.15Å; Q730-N733 PolarHBondContact O-N 2.91Å; Q730-L734 WeakPolarHBondContact CA-O 3.37Å; Q730-V736 HydrophobicContact CG-CB 4.26Å; Q730-V736 HydrophobicContact CG-CG2 3.81Å; Q730-S751 PolarHBondContact NE2-O 2.9Å; Q730-D753 WeakPolarHBondContact CG-OD2 3.45Å; Q730-D753 PolarHBondContact NE2-OD2 3Å
731	Q	90.7	Very high	91.6	Very high	107 Å²	107	24 Å²	24	50%	0.5	12%	0.119	S	C	.	.	H	α-helix	trans	-64.1	-18.9	176.8	-70.7	179.6	-1.6	0	0	112.9	M705 K727 L729 N733	M705-Q731 HydrophobicContact CE-CB 3.83Å; M705-Q731 VanDerWaalsContact CE-O 3.25Å; M705-Q731 WeakPolarHBondContact CE-O 3.42Å; M705-Q731 HydrophobicContact CG-CB 4.28Å; M705-Q731 HydrophobicContact SD-CB 3.65Å; M705-Q731 PolarHBondContact SD-OE1 2.84Å; K727-Q731 WeakPolarHBondContact O-CB 3.4Å; K727-Q731 VanDerWaalsContact O-CG 3.32Å; K727-Q731 WeakPolarHBondContact O-CG 3.38Å; K727-Q731 PolarHBondContact O-N 3.38Å; L729-Q731 PolarHBondContact O-N 3.19Å; Q731-N733 PolarHBondContact O-N 3.25Å
732	S	90	Very high	91.1	Very high	9 Å²	9	24 Å²	24	6%	0.063	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	14.4	172.5	-58.7	0	0	0	0	113.7	R709 A728 L729 Q730 L734	R709-S732 PolarHBondContact NH2-O 3.36Å; A728-S732 PolarHBondContact O-N 2.94Å; A728-S732 PolarHBondContact O-OG 2.86Å; L729-S732 WeakPolarHBondContact O-CA 3.32Å; L729-S732 VanDerWaalsContact O-CB 3.28Å; L729-S732 WeakPolarHBondContact O-CB 3.49Å; L729-S732 PolarHBondContact O-N 2.95Å; Q730-S732 PolarHBondContact O-N 2.69Å; Q730-S732 VanDerWaalsContact O-N 3.15Å; S732-L734 VanDerWaalsContact C-N 3.34Å
733	N	87.7	Confident	90.1	Very high	142 Å²	142	24.1 Å²	24.1	76%	0.759	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	36.4	-174.8	-69.6	-42.5	0	0	0	113.9	Q730 Q731	Q730-N733 PolarHBondContact O-N 2.91Å; Q731-N733 PolarHBondContact O-N 3.25Å
734	L	91.3	Very high	89.5	Confident	40 Å²	40	24.5 Å²	24.5	21%	0.209	12%	0.123	C	C	.	.			trans	-107.3	146	174.5	-61.1	171.9	0	0	0	109.3	N359 V360 L729 Q730 S732	N359-L734 WeakPolarHBondContact OD1-CA 3.2Å; N359-L734 WeakPolarHBondContact OD1-CB 3.27Å; N359-L734 WeakPolarHBondContact OD1-CD2 3.47Å; V360-L734 HydrophobicContact CG2-CB 4.28Å; V360-L734 HydrophobicContact CG2-CD1 3.86Å; V360-L734 HydrophobicContact CG2-CG 4.45Å; L729-L734 HydrophobicContact CD2-CD1 3.95Å; L729-L734 WeakPolarHBondContact O-CB 3.28Å; L729-L734 PolarHBondContact O-N 3.08Å; Q730-L734 WeakPolarHBondContact CA-O 3.37Å; S732-L734 VanDerWaalsContact C-N 3.34Å
735	V	93.1	Very high	89.4	Confident	6 Å²	6	22.2 Å²	22.2	4%	0.036	11%	0.113	C	C	.	.			trans	-95.9	114	172.4	-179	0	0	0	0	106.8	T354 C357 V358 N359 V360 D753 A863	T354-V735 HydrophobicContact CG2-CG1 3.75Å; C357-V735 HydrophobicContact CB-CG1 4.4Å; C357-V735 HydrophobicContact CB-CG2 4.37Å; V358-V735 HydrophobicContact CG2-CG1 4.28Å; N359-V735 VanDerWaalsContact CG-N 3.3Å; N359-V735 PolarHBondContact N-O 2.91Å; N359-V735 VanDerWaalsContact N-O 3.07Å; N359-V735 PolarHBondContact ND2-N 2.96Å; N359-V735 VanDerWaalsContact ND2-N 3.13Å; N359-V735 PolarHBondContact OD1-N 3.3Å; N359-V735 PolarHBondContact OD1-O 3.03Å; V360-V735 PolarHBondContact N-O 3.24Å; V735-D753 WeakPolarHBondContact CA-OD2 3.16Å; V735-D753 HydrophobicContact CG1-CB 3.84Å; V735-A863 HydrophobicContact CG2-CB 3.56Å
736	V	95.3	Very high	88.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.5	-167.4	-173.9	0	0	0	0	109.8	V360 V726 L729 Q730 D753 I754	V360-V736 WeakPolarHBondContact O-CA 3.48Å; V726-V736 HydrophobicContact CG1-CG1 4.24Å; V726-V736 HydrophobicContact CG2-CG1 4.37Å; L729-V736 HydrophobicContact CB-CG2 3.43Å; L729-V736 VanDerWaalsContact CB-CG2 3.43Å; L729-V736 HydrophobicContact CD1-CG1 4.23Å; L729-V736 HydrophobicContact CD1-CG2 4.36Å; Q730-V736 HydrophobicContact CG-CB 4.26Å; Q730-V736 HydrophobicContact CG-CG2 3.81Å; V736-D753 PolarHBondContact N-OD2 2.91Å; V736-D753 PolarHBondContact O-N 3.01Å; V736-I754 PolarHBondContact O-N 3.34Å
737	A	95.5	Very high	88.3	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.8	161.9	0	0	0	0	0	109.8	V358 V360 V361 C362 I754	V358-A737 HydrophobicContact CB-CB 4.48Å; V358-A737 HydrophobicContact CG1-CB 3.66Å; V358-A737 HydrophobicContact CG2-CB 3.92Å; V360-A737 PolarHBondContact O-N 2.92Å; V361-A737 CarbonylContact C-O 3.5Å; V361-A737 WeakPolarHBondContact CA-O 3.33Å; V361-A737 HydrophobicContact CG2-CB 4.22Å; C362-A737 PolarHBondContact N-O 3.45Å; A737-I754 CarbonylContact C-O 3.51Å; A737-I754 VanDerWaalsContact CA-O 3.27Å; A737-I754 WeakPolarHBondContact CA-O 3.38Å; A737-I754 HydrophobicContact CB-CG2 3.41Å; A737-I754 VanDerWaalsContact CB-CG2 3.41Å
738	M	95.6	Very high	88.2	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.1	170.6	-177.5	97.7	-171.2	0	0	108.5	C362 K722 V726 A748 L749 I754 I756	C362-M738 HydrophobicContact CB-SD 4.02Å; C362-M738 CarbonylContact O-C 3.55Å; C362-M738 VanDerWaalsContact O-CA 3.27Å; C362-M738 WeakPolarHBondContact O-CA 3.38Å; K722-M738 HydrophobicContact CB-CE 4.08Å; K722-M738 HydrophobicContact CD-CE 3.87Å; K722-M738 HydrophobicContact CG-CE 4.31Å; V726-M738 HydrophobicContact CG2-SD 3.69Å; M738-A748 HydrophobicContact CE-CB 3.69Å; M738-A748 HydrophobicContact CG-CB 4.22Å; M738-A748 HydrophobicContact SD-CB 3.67Å; M738-L749 HydrophobicContact CB-CD2 4Å; M738-L749 HydrophobicContact CG-CD2 3.87Å; M738-L749 HydrophobicContact CG-CG 4.1Å; M738-L749 WeakPolarHBondContact O-CD2 3.18Å; M738-I754 PolarHBondContact N-O 3.03Å; M738-I756 PolarHBondContact O-N 2.91Å
739	T	95.2	Very high	88.1	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.6	171	59.5	0	0	0	0	110.6	V361 C362 S363 D364 T368 I756 F779 I782	V361-T739 HydrophobicContact CG1-CG2 4.3Å; C362-T739 PolarHBondContact O-N 3.06Å; S363-T739 WeakPolarHBondContact CA-OG1 3.2Å; S363-T739 WeakPolarHBondContact CB-OG1 3.31Å; S363-T739 PolarHBondContact OG-OG1 3.22Å; D364-T739 PolarHBondContact N-O 3.37Å; T368-T739 WeakPolarHBondContact CG2-OG1 3.33Å; T739-I756 VanDerWaalsContact CA-O 3.25Å; T739-I756 WeakPolarHBondContact CA-O 3.46Å; T739-I756 HydrophobicContact CG2-CB 3.74Å; T739-I756 HydrophobicContact CG2-CD1 3.97Å; T739-I756 HydrophobicContact CG2-CG1 4.3Å; T739-I756 HydrophobicContact CG2-CG2 4.13Å; T739-F779 HydrophobicContact CG2-CE2 4.22Å; T739-I782 HydrophobicContact CG2-CD1 3.64Å
740	G	91	Very high	87.6	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	174.1	-178.9	0	0	0	0	0	113.6	T368 I756 A757 M758 C766	T368-G740 VanDerWaalsContact OG1-C 3.3Å; T368-G740 VanDerWaalsContact OG1-CA 3.26Å; T368-G740 WeakPolarHBondContact OG1-CA 3.48Å; G740-I756 PolarHBondContact N-O 3.02Å; G740-I756 VanDerWaalsContact N-O 3.09Å; G740-A757 WeakPolarHBondContact O-CA 3.43Å; G740-M758 PolarHBondContact O-N 3.09Å; G740-C766 VanDerWaalsContact C-SG 3.57Å; G740-C766 PolarHBondContact O-SG 2.86Å; G740-C766 VanDerWaalsContact O-SG 3.37Å
741	D	84.1	Confident	87.4	Confident	17 Å²	17	19.1 Å²	19.1	9%	0.091	10%	0.101	C	C	.	.			trans	-137.9	-27.7	178.2	64.4	-65.6	0	0	0	112.6	G367 T368 D745 M758 G762 T763 C766	G367-D741 WeakPolarHBondContact CA-OD2 3.45Å; T368-D741 PolarHBondContact N-OD1 3.29Å; T368-D741 PolarHBondContact OG1-N 3.49Å; T368-D741 PolarHBondContact OG1-OD1 2.95Å; D741-D745 PolarHBondContact N-OD2 3.1Å; D741-M758 HydrophobicContact CB-CB 3.99Å; D741-M758 HydrophobicContact CB-CG 4.01Å; D741-G762 WeakPolarHBondContact O-CA 3.34Å; D741-T763 PolarHBondContact O-N 3.05Å; D741-T763 PolarHBondContact O-OG1 3.06Å; D741-T763 VanDerWaalsContact O-OG1 3.09Å; D741-C766 VanDerWaalsContact CA-SG 3.57Å; D741-C766 WeakPolarHBondContact O-CB 3.43Å
742	G	75.3	Confident	87.5	Confident	7 Å²	7	14.1 Å²	14.1	7%	0.072	8%	0.077	C	C	.	.	S	Bend	trans	-82.2	164	178.9	0	0	0	0	0	114.2	N744 D745	G742-N744 PolarHBondContact O-N 2.94Å; G742-D745 PolarHBondContact N-OD2 3.1Å; G742-D745 PolarHBondContact O-N 3.47Å; G742-D745 VanDerWaalsContact O-N 3.16Å
743	V	70.7	Confident	87.6	Confident	4 Å²	4	15 Å²	15	2%	0.024	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-28	172.9	178.5	0	0	0	0	110.8	S175 F255 V258 D745 A746 T763 V765	S175-V743 WeakPolarHBondContact O-CA 3.49Å; S175-V743 WeakPolarHBondContact O-CB 3.49Å; S175-V743 WeakPolarHBondContact O-CG2 3.16Å; S175-V743 PolarHBondContact O-N 3.33Å; F255-V743 HydrophobicContact CD2-CG2 4.11Å; F255-V743 HydrophobicContact CE2-CG2 3.47Å; F255-V743 VanDerWaalsContact CE2-CG2 3.47Å; F255-V743 HydrophobicContact CZ-CG2 4.3Å; V258-V743 HydrophobicContact CB-CG1 4.17Å; V258-V743 HydrophobicContact CG1-CG1 3.56Å; V258-V743 HydrophobicContact CG2-CG1 4.39Å; V743-D745 PolarHBondContact O-N 3.42Å; V743-D745 VanDerWaalsContact O-N 3.12Å; V743-A746 VanDerWaalsContact O-CB 3.24Å; V743-A746 WeakPolarHBondContact O-CB 3.46Å; V743-A746 PolarHBondContact O-N 2.89Å; V743-T763 HydrophobicContact CG2-CG2 4.2Å; V743-V765 HydrophobicContact CG1-CG1 4.11Å; V743-V765 HydrophobicContact CG2-CB 4.27Å
744	N	75.5	Confident	87.9	Confident	22 Å²	22	8.3 Å²	8.3	12%	0.118	5%	0.046	C	C	.	.	H	α-helix	trans	-56	-27.3	174.1	-72.3	-10.1	0	0	0	113.9	L176 T177 G178 P719 G742	L176-N744 PolarHBondContact O-OD1 2.84Å; T177-N744 PolarHBondContact O-ND2 3.27Å; G178-N744 WeakPolarHBondContact CA-ND2 3.4Å; G178-N744 PolarHBondContact N-ND2 3.34Å; P719-N744 HydrophobicContact CG-CB 3.98Å; G742-N744 PolarHBondContact O-N 2.94Å
745	D	85.9	Confident	88	Confident	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-86.4	-20	179.6	-62.3	-54.8	0	0	0	112.6	K722 D741 G742 V743 I747 A748 L749	K722-D745 VanDerWaalsContact CD-OD1 3.24Å; K722-D745 WeakPolarHBondContact CD-OD1 3.33Å; K722-D745 WeakPolarHBondContact CE-OD1 3.49Å; K722-D745 IonicContact NZ-OD1 3.43Å; K722-D745 PolarHBondContact NZ-OD1 2.92Å; K722-D745 IonicContact NZ-OD2 3.15Å; D741-D745 PolarHBondContact N-OD2 3.1Å; G742-D745 PolarHBondContact N-OD2 3.1Å; G742-D745 PolarHBondContact O-N 3.47Å; G742-D745 VanDerWaalsContact O-N 3.16Å; V743-D745 PolarHBondContact O-N 3.42Å; V743-D745 VanDerWaalsContact O-N 3.12Å; D745-I747 VanDerWaalsContact C-N 3.32Å; D745-I747 PolarHBondContact O-N 3.4Å; D745-A748 CarbonylContact O-C 3.54Å; D745-A748 WeakPolarHBondContact O-CA 3.38Å; D745-A748 PolarHBondContact O-N 2.91Å; D745-L749 HydrophobicContact CB-CD1 3.77Å; D745-L749 HydrophobicContact CB-CG 4.1Å; D745-L749 WeakPolarHBondContact O-CB 3.35Å; D745-L749 WeakPolarHBondContact O-CG 3.42Å; D745-L749 PolarHBondContact O-N 2.85Å
746	A	80.5	Confident	88	Confident	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-56.1	-44.4	-168.1	0	0	0	0	0	113.1	V743 L749 K750 V765 A769	V743-A746 VanDerWaalsContact O-CB 3.24Å; V743-A746 WeakPolarHBondContact O-CB 3.46Å; V743-A746 PolarHBondContact O-N 2.89Å; A746-L749 PolarHBondContact O-N 3.46Å; A746-K750 WeakPolarHBondContact O-CB 3.5Å; A746-K750 PolarHBondContact O-N 2.69Å; A746-V765 HydrophobicContact CB-CG1 3.56Å; A746-A769 HydrophobicContact CB-CB 3.82Å; A746-A769 VanDerWaalsContact O-CB 3.28Å; A746-A769 WeakPolarHBondContact O-CB 3.45Å
747	I	84.7	Confident	87.8	Confident	25 Å²	25	6.2 Å²	6.2	13%	0.128	3%	0.034	C	C	.	.	H	α-helix	trans	-65.6	-42.6	178.4	-58.6	172.9	0	0	0	110.4	M261 C723 D745 K750 S751	M261-I747 HydrophobicContact CE-CD1 4.48Å; C723-I747 HydrophobicContact CB-CG2 4.25Å; D745-I747 VanDerWaalsContact C-N 3.32Å; D745-I747 PolarHBondContact O-N 3.4Å; I747-K750 PolarHBondContact O-N 2.81Å; I747-S751 WeakPolarHBondContact O-CB 3.37Å; I747-S751 PolarHBondContact O-N 3.35Å; I747-S751 PolarHBondContact O-OG 3.12Å
748	A	90.1	Very high	87.5	Confident	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-70.7	-37.9	-179.7	0	0	0	0	0	112.2	K722 V726 M738 D745 S751 S752	K722-A748 HydrophobicContact CB-CB 3.71Å; V726-A748 HydrophobicContact CG2-CB 4.41Å; M738-A748 HydrophobicContact CE-CB 3.69Å; M738-A748 HydrophobicContact CG-CB 4.22Å; M738-A748 HydrophobicContact SD-CB 3.67Å; D745-A748 CarbonylContact O-C 3.54Å; D745-A748 WeakPolarHBondContact O-CA 3.38Å; D745-A748 PolarHBondContact O-N 2.91Å; A748-S751 PolarHBondContact O-N 3.33Å; A748-S752 WeakPolarHBondContact O-CB 3.28Å; A748-S752 PolarHBondContact O-N 2.86Å
749	L	90.7	Very high	86.8	Confident	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.3	-48.3	172.2	-74.7	166.2	0	0	0	110.7	M738 D745 A746 S751 S752 I756 C766 A769	M738-L749 HydrophobicContact CB-CD2 4Å; M738-L749 HydrophobicContact CG-CD2 3.87Å; M738-L749 HydrophobicContact CG-CG 4.1Å; M738-L749 WeakPolarHBondContact O-CD2 3.18Å; D745-L749 HydrophobicContact CB-CD1 3.77Å; D745-L749 HydrophobicContact CB-CG 4.1Å; D745-L749 WeakPolarHBondContact O-CB 3.35Å; D745-L749 WeakPolarHBondContact O-CG 3.42Å; D745-L749 PolarHBondContact O-N 2.85Å; A746-L749 PolarHBondContact O-N 3.46Å; L749-S751 PolarHBondContact O-N 2.91Å; L749-S752 PolarHBondContact O-N 3.49Å; L749-S752 PolarHBondContact O-OG 3.27Å; L749-I756 VanDerWaalsContact CD2-N 3.32Å; L749-I756 WeakPolarHBondContact CD2-O 3.41Å; L749-C766 HydrophobicContact CD1-CB 4.43Å; L749-C766 WeakPolarHBondContact CD1-SG 3.11Å; L749-A769 HydrophobicContact CB-CB 4.3Å
750	K	85.2	Confident	86	Confident	17 Å²	17	16.1 Å²	16.1	7%	0.074	8%	0.075	C	C	.	.	H	α-helix	trans	-65.2	-38.4	178.4	-168.6	67.9	160.1	-155.1	0	113.5	M262 E265 A746 I747 S752	M262-K750 HydrophobicContact CG-CB 4.04Å; M262-K750 HydrophobicContact CG-CD 4.49Å; M262-K750 HydrophobicContact CG-CG 4.17Å; M262-K750 HydrophobicContact SD-CD 4.02Å; M262-K750 HydrophobicContact SD-CG 4.29Å; E265-K750 HydrophobicContact CB-CG 4.23Å; A746-K750 WeakPolarHBondContact O-CB 3.5Å; A746-K750 PolarHBondContact O-N 2.69Å; I747-K750 PolarHBondContact O-N 2.81Å; K750-S752 VanDerWaalsContact C-N 3.34Å
751	S	87.8	Confident	85.4	Confident	5 Å²	5	18.9 Å²	18.9	4%	0.035	9%	0.092	C	C	.	.	H	α-helix	trans	-73.3	-26.1	-179.9	-56.1	0	0	0	0	112.9	C723 Q730 I747 A748 L749	C723-S751 PolarHBondContact SG-OG 3.4Å; C723-S751 VanDerWaalsContact SG-OG 3.37Å; Q730-S751 PolarHBondContact NE2-O 2.9Å; I747-S751 WeakPolarHBondContact O-CB 3.37Å; I747-S751 PolarHBondContact O-N 3.35Å; I747-S751 PolarHBondContact O-OG 3.12Å; A748-S751 PolarHBondContact O-N 3.33Å; L749-S751 PolarHBondContact O-N 2.91Å
752	S	92.8	Very high	84.9	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.007	9%	0.09	C	C	.	.	S	Bend	trans	-69.7	161.8	-177.4	72.6	0	0	0	0	111.9	A748 L749 K750 I754 G755	A748-S752 WeakPolarHBondContact O-CB 3.28Å; A748-S752 PolarHBondContact O-N 2.86Å; L749-S752 PolarHBondContact O-N 3.49Å; L749-S752 PolarHBondContact O-OG 3.27Å; K750-S752 VanDerWaalsContact C-N 3.34Å; S752-I754 PolarHBondContact O-N 2.9Å; S752-I754 PolarHBondContact OG-O 3.41Å; S752-I754 VanDerWaalsContact OG-O 3.07Å; S752-G755 PolarHBondContact OG-N 3.25Å
753	D	92.4	Very high	84.7	Confident	29 Å²	29	18.5 Å²	18.5	16%	0.155	9%	0.09	C	C	.	.	S	Bend	trans	-67.5	-27.9	175.2	-60.7	-75.9	0	0	0	111.3	T354 Q730 V735 V736	T354-D753 HydrophobicContact CG2-CB 3.87Å; Q730-D753 WeakPolarHBondContact CG-OD2 3.45Å; Q730-D753 PolarHBondContact NE2-OD2 3Å; V735-D753 WeakPolarHBondContact CA-OD2 3.16Å; V735-D753 HydrophobicContact CG1-CB 3.84Å; V736-D753 PolarHBondContact N-OD2 2.91Å; V736-D753 PolarHBondContact O-N 3.01Å
754	I	92.6	Very high	84.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	116.8	169.6	-165.5	167.4	0	0	0	112.2	A351 L355 V358 V736 A737 M738 S752 D771 I772	A351-I754 HydrophobicContact CB-CD1 4.3Å; A351-I754 HydrophobicContact CB-CG1 4.39Å; A351-I754 VanDerWaalsContact O-CD1 3.23Å; A351-I754 WeakPolarHBondContact O-CD1 3.26Å; L355-I754 HydrophobicContact CB-CD1 3.63Å; L355-I754 HydrophobicContact CD1-CD1 3.93Å; L355-I754 HydrophobicContact CD1-CG2 4.25Å; L355-I754 HydrophobicContact CD2-CD1 4.48Å; L355-I754 HydrophobicContact CG-CD1 4.18Å; V358-I754 HydrophobicContact CG2-CG2 3.69Å; V736-I754 PolarHBondContact O-N 3.34Å; A737-I754 CarbonylContact C-O 3.51Å; A737-I754 VanDerWaalsContact CA-O 3.27Å; A737-I754 WeakPolarHBondContact CA-O 3.38Å; A737-I754 HydrophobicContact CB-CG2 3.41Å; A737-I754 VanDerWaalsContact CB-CG2 3.41Å; M738-I754 PolarHBondContact N-O 3.03Å; S752-I754 PolarHBondContact O-N 2.9Å; S752-I754 PolarHBondContact OG-O 3.41Å; S752-I754 VanDerWaalsContact OG-O 3.07Å; I754-D771 HydrophobicContact CG1-CB 4.22Å; I754-I772 HydrophobicContact CD1-CD1 3.51Å; I754-I772 HydrophobicContact CD1-CG1 4.16Å; I754-I772 HydrophobicContact CG1-CD1 4.29Å; I754-I772 HydrophobicContact CG1-CG1 4.5Å
755	G	93.2	Very high	84.3	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.9	173.6	0	0	0	0	0	112	S752 D771 I772	S752-G755 PolarHBondContact OG-N 3.25Å; G755-D771 PolarHBondContact N-OD2 3.39Å; G755-D771 PolarHBondContact O-N 3.22Å; G755-I772 PolarHBondContact O-N 2.93Å
756	I	93.8	Very high	83.8	Confident	2 Å²	2	22 Å²	22	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.5	178.5	-52.6	176.8	0	0	0	109.8	L355 M738 T739 G740 L749 I772 L774 I782	L355-I756 HydrophobicContact CD1-CD1 4.16Å; M738-I756 PolarHBondContact O-N 2.91Å; T739-I756 VanDerWaalsContact CA-O 3.25Å; T739-I756 WeakPolarHBondContact CA-O 3.46Å; T739-I756 HydrophobicContact CG2-CB 3.74Å; T739-I756 HydrophobicContact CG2-CD1 3.97Å; T739-I756 HydrophobicContact CG2-CG1 4.3Å; T739-I756 HydrophobicContact CG2-CG2 4.13Å; G740-I756 PolarHBondContact N-O 3.02Å; G740-I756 VanDerWaalsContact N-O 3.09Å; L749-I756 VanDerWaalsContact CD2-N 3.32Å; L749-I756 WeakPolarHBondContact CD2-O 3.41Å; I756-I772 CarbonylContact C-O 3.54Å; I756-I772 WeakPolarHBondContact CA-O 3.47Å; I756-I772 HydrophobicContact CG1-CB 4.38Å; I756-L774 HydrophobicContact CG2-CD1 3.85Å; I756-L774 HydrophobicContact CG2-CD2 4.07Å; I756-L774 HydrophobicContact CG2-CG 3.76Å; I756-I782 HydrophobicContact CD1-CD1 4.36Å; I756-I782 HydrophobicContact CD1-CG1 4.25Å; I756-I782 HydrophobicContact CD1-CG2 4.2Å; I756-I782 HydrophobicContact CG2-CG1 4.46Å
757	A	90.7	Very high	83.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	149.4	177.8	0	0	0	0	0	112.7	G740 R767 A770 I772 V773 L774	G740-A757 WeakPolarHBondContact O-CA 3.43Å; A757-R767 HydrophobicContact CB-CG 4.12Å; A757-A770 HydrophobicContact CB-CB 3.48Å; A757-A770 VanDerWaalsContact CB-CB 3.48Å; A757-I772 PolarHBondContact N-O 2.98Å; A757-V773 WeakPolarHBondContact O-CA 3.25Å; A757-L774 PolarHBondContact O-N 2.87Å
758	M	89.6	Confident	83.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	142.5	164.7	-61.5	-58.1	155.8	0	0	110.5	T368 G740 D741 T761 G762 R767 L774 D777 F779	T368-M758 HydrophobicContact CG2-CE 3.61Å; G740-M758 PolarHBondContact O-N 3.09Å; D741-M758 HydrophobicContact CB-CB 3.99Å; D741-M758 HydrophobicContact CB-CG 4.01Å; M758-T761 WeakPolarHBondContact CB-OG1 2.88Å; M758-G762 VanDerWaalsContact O-CA 3.27Å; M758-G762 WeakPolarHBondContact O-CA 3.43Å; M758-G762 PolarHBondContact O-N 2.93Å; M758-R767 WeakPolarHBondContact O-CG 3.39Å; M758-L774 HydrophobicContact CE-CD1 4.19Å; M758-L774 HydrophobicContact SD-CD1 4.23Å; M758-D777 HydrophobicContact SD-CB 4.17Å; M758-F779 HydrophobicContact CE-CD2 4.08Å
759	G	81.5	Confident	82.8	Confident	11 Å²	11	25.6 Å²	25.6	11%	0.113	12%	0.123	C	C	.	.	S	Bend	trans	-84	-47.6	-173.5	0	0	0	0	0	113.5	R767 L774 D777	G759-R767 WeakPolarHBondContact O-CD 3.27Å; G759-R767 PolarHBondContact O-NE 3.37Å; G759-L774 WeakPolarHBondContact CA-O 3.45Å; G759-L774 PolarHBondContact N-O 3.14Å; G759-D777 WeakPolarHBondContact CA-OD1 3.43Å; G759-D777 PolarHBondContact N-OD1 2.89Å
760	R	78.7	Confident	82.6	Confident	198 Å²	198	25.7 Å²	25.7	75%	0.747	12%	0.124	S	C	*	.	S	Bend	trans	-92.4	-46.8	-175.9	-53.1	178.2	-178.1	-171.3	-4.2	111.7	L775 D777	R760-L775 WeakPolarHBondContact CG-O 3.41Å; R760-L775 PolarHBondContact NE-O 3.5Å; R760-L775 VanDerWaalsContact NE-O 3.15Å; R760-D777 WeakPolarHBondContact CB-OD2 3.07Å; R760-D777 PolarHBondContact N-OD1 3.09Å
761	T	76.6	Confident	82.8	Confident	58 Å²	58	25.2 Å²	25.2	36%	0.356	12%	0.122	S	C	.	.	S	Bend	trans	-80.9	-24	178.2	44.9	0	0	0	0	112.8	R646 M758 D777	R646-T761 PolarHBondContact NH2-OG1 2.96Å; M758-T761 WeakPolarHBondContact CB-OG1 2.88Å; T761-D777 WeakPolarHBondContact CB-OD2 3.44Å; T761-D777 WeakPolarHBondContact CG2-OD2 3.45Å; T761-D777 PolarHBondContact N-OD2 3.2Å; T761-D777 PolarHBondContact OG1-OD2 2.75Å
762	G	74.6	Confident	82.8	Confident	4 Å²	4	25 Å²	25	4%	0.041	12%	0.12	C	C	.	.	S	Bend	trans	-70.7	134.1	-179.3	0	0	0	0	0	114.2	D741 M758 R767	D741-G762 WeakPolarHBondContact O-CA 3.34Å; M758-G762 VanDerWaalsContact O-CA 3.27Å; M758-G762 WeakPolarHBondContact O-CA 3.43Å; M758-G762 PolarHBondContact O-N 2.93Å; G762-R767 PolarHBondContact O-NE 3.23Å; G762-R767 VanDerWaalsContact O-NE 3.08Å
763	T	70.7	Confident	82.6	Confident	12 Å²	12	25.5 Å²	25.5	7%	0.074	12%	0.123	C	C	.	.			trans	-60.6	152.3	174	60.4	0	0	0	0	111.5	S175 D741 V743 V765 C766 R767	S175-T763 WeakPolarHBondContact OG-CG2 3.36Å; D741-T763 PolarHBondContact O-N 3.05Å; D741-T763 PolarHBondContact O-OG1 3.06Å; D741-T763 VanDerWaalsContact O-OG1 3.09Å; V743-T763 HydrophobicContact CG2-CG2 4.2Å; T763-V765 PolarHBondContact O-N 2.77Å; T763-C766 WeakPolarHBondContact O-CB 3.18Å; T763-C766 PolarHBondContact O-N 3.36Å; T763-C766 VanDerWaalsContact O-N 3.09Å; T763-C766 WeakPolarHBondContact OG1-CB 3.46Å; T763-C766 PolarHBondContact OG1-N 3.4Å; T763-R767 PolarHBondContact O-N 3.46Å
764	D	69.1	Low	82.6	Confident	96 Å²	96	24.2 Å²	24.2	51%	0.513	12%	0.116	S	C	.	.	H	α-helix	trans	-57.6	-37.3	179.5	-68.3	-52.1	0	0	0	111.9	R767 E768	D764-R767 PolarHBondContact O-N 3.09Å; D764-R767 IonicContact OD1-CZ 2.76Å; D764-R767 IonicContact OD1-NH1 3.17Å; D764-R767 PolarHBondContact OD1-NH1 3.36Å; D764-R767 IonicContact OD1-NH2 3.97Å; D764-R767 PolarHBondContact OD1-NH2 3.05Å; D764-E768 VanDerWaalsContact O-CB 3.26Å; D764-E768 WeakPolarHBondContact O-CB 3.46Å; D764-E768 PolarHBondContact O-N 3.28Å
765	V	68.3	Low	82.3	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-68.6	-38.8	176.6	169.3	0	0	0	0	112.4	F255 F259 V743 A746 T763 E768 A769	F255-V765 HydrophobicContact CD1-CG2 3.87Å; F255-V765 HydrophobicContact CE1-CB 4.27Å; F255-V765 HydrophobicContact CE1-CG2 3.02Å; F255-V765 HydrophobicContact CE2-CB 4.44Å; F255-V765 HydrophobicContact CE2-CG2 3.89Å; F255-V765 HydrophobicContact CZ-CB 3.86Å; F255-V765 HydrophobicContact CZ-CG2 3.04Å; F259-V765 HydrophobicContact CD2-CG2 4.14Å; V743-V765 HydrophobicContact CG1-CG1 4.11Å; V743-V765 HydrophobicContact CG2-CB 4.27Å; A746-V765 HydrophobicContact CB-CG1 3.56Å; T763-V765 PolarHBondContact O-N 2.77Å; V765-E768 PolarHBondContact O-N 3.5Å; V765-A769 VanDerWaalsContact O-CB 3.29Å; V765-A769 WeakPolarHBondContact O-CB 3.49Å; V765-A769 PolarHBondContact O-N 3.48Å
766	C	77.3	Confident	82.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-45.7	174.6	-178.4	0	0	0	0	110.9	G740 D741 L749 T763 E768 A769 A770	G740-C766 VanDerWaalsContact C-SG 3.57Å; G740-C766 PolarHBondContact O-SG 2.86Å; G740-C766 VanDerWaalsContact O-SG 3.37Å; D741-C766 VanDerWaalsContact CA-SG 3.57Å; D741-C766 WeakPolarHBondContact O-CB 3.43Å; L749-C766 HydrophobicContact CD1-CB 4.43Å; L749-C766 WeakPolarHBondContact CD1-SG 3.11Å; T763-C766 WeakPolarHBondContact O-CB 3.18Å; T763-C766 PolarHBondContact O-N 3.36Å; T763-C766 VanDerWaalsContact O-N 3.09Å; T763-C766 WeakPolarHBondContact OG1-CB 3.46Å; T763-C766 PolarHBondContact OG1-N 3.4Å; C766-E768 VanDerWaalsContact C-N 3.29Å; C766-E768 PolarHBondContact O-N 3.23Å; C766-A769 PolarHBondContact O-N 2.76Å; C766-A770 WeakPolarHBondContact O-CB 3.18Å; C766-A770 PolarHBondContact O-N 2.91Å
767	R	79.3	Confident	81.7	Confident	52 Å²	52	30 Å²	30	20%	0.196	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-36.3	173.8	-71.3	-171.9	-86.8	134.4	-5.2	112.5	R347 A757 M758 G759 G762 T763 D764 V773	R347-R767 WeakPolarHBondContact CD-O 3.35Å; R347-R767 PolarHBondContact NH1-O 2.9Å; A757-R767 HydrophobicContact CB-CG 4.12Å; M758-R767 WeakPolarHBondContact O-CG 3.39Å; G759-R767 WeakPolarHBondContact O-CD 3.27Å; G759-R767 PolarHBondContact O-NE 3.37Å; G762-R767 PolarHBondContact O-NE 3.23Å; G762-R767 VanDerWaalsContact O-NE 3.08Å; T763-R767 PolarHBondContact O-N 3.46Å; D764-R767 PolarHBondContact O-N 3.09Å; D764-R767 IonicContact OD1-CZ 2.76Å; D764-R767 IonicContact OD1-NH1 3.17Å; D764-R767 PolarHBondContact OD1-NH1 3.36Å; D764-R767 IonicContact OD1-NH2 3.97Å; D764-R767 PolarHBondContact OD1-NH2 3.05Å; R767-V773 HydrophobicContact CB-CG2 4.21Å; R767-V773 HydrophobicContact CG-CG1 3.97Å; R767-V773 HydrophobicContact CG-CG2 4.29Å
768	E	74.8	Confident	81.6	Confident	49 Å²	49	32.8 Å²	32.8	23%	0.229	16%	0.162	C	C	.	.	H	α-helix	trans	-72.9	-31.2	177.3	-170.5	56.1	-140.6	0	0	112.9	H53 F259 M262 R347 D764 V765 C766	H53-E768 IonicContact CE1-OE1 3.76Å; F259-E768 HydrophobicContact CE2-CB 4.43Å; F259-E768 HydrophobicContact CE2-CG 3.76Å; F259-E768 HydrophobicContact CZ-CG 4.28Å; M262-E768 HydrophobicContact CE-CB 4.45Å; M262-E768 HydrophobicContact CE-CG 4.13Å; R347-E768 IonicContact CZ-OE1 2.6Å; R347-E768 IonicContact CZ-OE2 2.66Å; R347-E768 PolarHBondContact NH1-O 3.34Å; R347-E768 IonicContact NH1-OE1 3.25Å; R347-E768 IonicContact NH1-OE2 3Å; R347-E768 IonicContact NH2-OE1 2.62Å; R347-E768 PolarHBondContact NH2-OE1 2.98Å; R347-E768 IonicContact NH2-OE2 2.76Å; R347-E768 PolarHBondContact NH2-OE2 3.22Å; D764-E768 VanDerWaalsContact O-CB 3.26Å; D764-E768 WeakPolarHBondContact O-CB 3.46Å; D764-E768 PolarHBondContact O-N 3.28Å; V765-E768 PolarHBondContact O-N 3.5Å; C766-E768 VanDerWaalsContact C-N 3.29Å; C766-E768 PolarHBondContact O-N 3.23Å
769	A	79.8	Confident	81.5	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-77.8	-32.1	176.8	0	0	0	0	0	112.7	M262 A746 L749 V765 C766	M262-A769 HydrophobicContact CE-CB 4.4Å; M262-A769 HydrophobicContact CG-CB 3.83Å; M262-A769 HydrophobicContact SD-CB 4.09Å; A746-A769 HydrophobicContact CB-CB 3.82Å; A746-A769 VanDerWaalsContact O-CB 3.28Å; A746-A769 WeakPolarHBondContact O-CB 3.45Å; L749-A769 HydrophobicContact CB-CB 4.3Å; V765-A769 VanDerWaalsContact O-CB 3.29Å; V765-A769 WeakPolarHBondContact O-CB 3.49Å; V765-A769 PolarHBondContact O-N 3.48Å; C766-A769 PolarHBondContact O-N 2.76Å
770	A	86.6	Confident	81.8	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.017	17%	0.169	C	C	.	.			trans	-75.5	148.2	-175.4	0	0	0	0	0	113.8	R347 A757 C766 I772	R347-A770 PolarHBondContact NH1-O 3.01Å; A757-A770 HydrophobicContact CB-CB 3.48Å; A757-A770 VanDerWaalsContact CB-CB 3.48Å; C766-A770 WeakPolarHBondContact O-CB 3.18Å; C766-A770 PolarHBondContact O-N 2.91Å; A770-I772 WeakPolarHBondContact CB-O 3.26Å
771	D	87.9	Confident	82.4	Confident	7 Å²	7	24.8 Å²	24.8	4%	0.037	14%	0.136	C	C	.	.	S	Bend	trans	-83.2	-24	172.4	-55.3	-68.2	0	0	0	112	V346 R347 R348 A351 I754 G755	V346-D771 CarbonylContact C-O 3.58Å; R347-D771 PolarHBondContact N-O 2.83Å; R348-D771 VanDerWaalsContact CD-OD1 3.23Å; R348-D771 WeakPolarHBondContact CD-OD1 3.31Å; R348-D771 IonicContact CZ-OD1 2.62Å; R348-D771 IonicContact NE-OD1 3.75Å; R348-D771 IonicContact NH1-OD1 3.44Å; R348-D771 PolarHBondContact NH1-OD1 2.86Å; A351-D771 HydrophobicContact CB-CB 3.65Å; I754-D771 HydrophobicContact CG1-CB 4.22Å; G755-D771 PolarHBondContact N-OD2 3.39Å; G755-D771 PolarHBondContact O-N 3.22Å
772	I	88.8	Confident	83.1	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.4	176.7	-60.1	-177.9	0	0	0	110.1	A344 I345 V346 L355 I754 G755 I756 A757 A770 L774	A344-I772 HydrophobicContact CB-CG2 4.32Å; I345-I772 CarbonylContact O-C 3.54Å; I345-I772 VanDerWaalsContact O-CA 3.3Å; I345-I772 WeakPolarHBondContact O-CA 3.32Å; V346-I772 HydrophobicContact CG1-CG1 4.5Å; V346-I772 HydrophobicContact CG2-CG1 4.32Å; L355-I772 HydrophobicContact CD2-CD1 3.77Å; I754-I772 HydrophobicContact CD1-CD1 3.51Å; I754-I772 HydrophobicContact CD1-CG1 4.16Å; I754-I772 HydrophobicContact CG1-CD1 4.29Å; I754-I772 HydrophobicContact CG1-CG1 4.5Å; G755-I772 PolarHBondContact O-N 2.93Å; I756-I772 CarbonylContact C-O 3.54Å; I756-I772 WeakPolarHBondContact CA-O 3.47Å; I756-I772 HydrophobicContact CG1-CB 4.38Å; A757-I772 PolarHBondContact N-O 2.98Å; A770-I772 WeakPolarHBondContact CB-O 3.26Å; I772-L774 HydrophobicContact CG2-CD2 4.18Å
773	V	88.9	Confident	83.8	Confident	11 Å²	11	23 Å²	23	7%	0.067	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.4	175.4	-177.3	0	0	0	0	110.1	I345 R347 A757 R767	I345-V773 PolarHBondContact N-O 2.82Å; I345-V773 PolarHBondContact O-N 2.82Å; R347-V773 HydrophobicContact CG-CG2 4.4Å; A757-V773 WeakPolarHBondContact O-CA 3.25Å; R767-V773 HydrophobicContact CB-CG2 4.21Å; R767-V773 HydrophobicContact CG-CG1 3.97Å; R767-V773 HydrophobicContact CG-CG2 4.29Å
774	L	91.6	Very high	84.6	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	101.7	179.4	-52.6	-177.8	0	0	0	110.6	A344 I756 A757 M758 G759 I772 D776 D777 T781 I782	A344-L774 HydrophobicContact CB-CD2 4.28Å; I756-L774 HydrophobicContact CG2-CD1 3.85Å; I756-L774 HydrophobicContact CG2-CD2 4.07Å; I756-L774 HydrophobicContact CG2-CG 3.76Å; A757-L774 PolarHBondContact O-N 2.87Å; M758-L774 HydrophobicContact CE-CD1 4.19Å; M758-L774 HydrophobicContact SD-CD1 4.23Å; G759-L774 WeakPolarHBondContact CA-O 3.45Å; G759-L774 PolarHBondContact N-O 3.14Å; I772-L774 HydrophobicContact CG2-CD2 4.18Å; L774-D776 PolarHBondContact O-N 3.05Å; L774-D777 PolarHBondContact O-N 3.37Å; L774-T781 HydrophobicContact CD2-CG2 3.87Å; L774-I782 HydrophobicContact CD1-CD1 4.36Å; L774-I782 HydrophobicContact CD1-CG1 3.88Å
775	L	87	Confident	85.6	Confident	71 Å²	71	18.9 Å²	18.9	37%	0.372	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.3	-173	-63.1	177.7	0	0	0	114.7	N343 I345 R760	N343-L775 HydrophobicContact CB-CB 4.2Å; N343-L775 PolarHBondContact O-N 3.47Å; I345-L775 HydrophobicContact CD1-CD1 3.81Å; I345-L775 HydrophobicContact CD1-CD2 3.78Å; I345-L775 HydrophobicContact CD1-CG 4.07Å; I345-L775 HydrophobicContact CG1-CD1 3.84Å; I345-L775 HydrophobicContact CG1-CD2 4.17Å; I345-L775 HydrophobicContact CG1-CG 3.99Å; R760-L775 WeakPolarHBondContact CG-O 3.41Å; R760-L775 PolarHBondContact NE-O 3.5Å; R760-L775 VanDerWaalsContact NE-O 3.15Å
776	D	87.7	Confident	86.6	Confident	43 Å²	43	19 Å²	19	23%	0.23	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	0.3	-177.7	60	1.2	0	0	0	113.8	N343 L774 N778 T781	N343-D776 HydrophobicContact CB-CB 4.12Å; N343-D776 PolarHBondContact ND2-OD2 2.89Å; L774-D776 PolarHBondContact O-N 3.05Å; D776-N778 HydrophobicContact CB-CB 4.4Å; D776-N778 PolarHBondContact O-N 2.89Å; D776-N778 VanDerWaalsContact O-N 3.1Å; D776-N778 WeakPolarHBondContact OD1-CB 3.1Å; D776-N778 PolarHBondContact OD1-N 3.08Å; D776-N778 VanDerWaalsContact OD1-N 3.12Å; D776-T781 PolarHBondContact OD1-OG1 2.93Å; D776-T781 VanDerWaalsContact OD1-OG1 3.14Å; D776-T781 PolarHBondContact OD2-OG1 2.86Å
777	D	87	Confident	87.2	Confident	9 Å²	9	20.3 Å²	20.3	5%	0.048	11%	0.11	C	C	.	.			trans	49.7	28.9	-171.9	-62.7	-1	0	0	0	113	R646 M758 G759 R760 T761 L774	R646-D777 WeakPolarHBondContact CD-O 3.47Å; M758-D777 HydrophobicContact SD-CB 4.17Å; G759-D777 WeakPolarHBondContact CA-OD1 3.43Å; G759-D777 PolarHBondContact N-OD1 2.89Å; R760-D777 WeakPolarHBondContact CB-OD2 3.07Å; R760-D777 PolarHBondContact N-OD1 3.09Å; T761-D777 WeakPolarHBondContact CB-OD2 3.44Å; T761-D777 WeakPolarHBondContact CG2-OD2 3.45Å; T761-D777 PolarHBondContact N-OD2 3.2Å; T761-D777 PolarHBondContact OG1-OD2 2.75Å; L774-D777 PolarHBondContact O-N 3.37Å
778	N	88.5	Confident	87.6	Confident	59 Å²	59	18.1 Å²	18.1	32%	0.316	10%	0.102	S	C	.	.			trans	-96.8	113.9	179.1	-173.6	-5.7	0	0	0	110	D776 A780 T781	D776-N778 HydrophobicContact CB-CB 4.4Å; D776-N778 PolarHBondContact O-N 2.89Å; D776-N778 VanDerWaalsContact O-N 3.1Å; D776-N778 WeakPolarHBondContact OD1-CB 3.1Å; D776-N778 PolarHBondContact OD1-N 3.08Å; D776-N778 VanDerWaalsContact OD1-N 3.12Å; N778-A780 PolarHBondContact O-N 3.11Å; N778-A780 VanDerWaalsContact O-N 3.12Å; N778-A780 VanDerWaalsContact OD1-CB 3.27Å; N778-A780 WeakPolarHBondContact OD1-CB 3.17Å; N778-A780 PolarHBondContact OD1-N 3.08Å; N778-T781 WeakPolarHBondContact O-CB 3.38Å; N778-T781 PolarHBondContact O-N 2.82Å; N778-T781 PolarHBondContact O-OG1 3Å
779	F	86.6	Confident	88.3	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.1	178	-155.8	-94.2	0	0	0	113	T368 M369 V649 C652 I653 L656 T739 M758 T781 I782	T368-F779 HydrophobicContact CG2-CD2 4.43Å; T368-F779 HydrophobicContact CG2-CE2 4.1Å; M369-F779 HydrophobicContact CG-CE2 4.29Å; V649-F779 HydrophobicContact CG1-CD1 4.39Å; V649-F779 HydrophobicContact CG2-CB 3.65Å; V649-F779 HydrophobicContact CG2-CG 4.18Å; C652-F779 HydrophobicContact CB-CD1 4.07Å; C652-F779 PolarHBondContact SG-O 2.58Å; C652-F779 VanDerWaalsContact SG-O 3.34Å; I653-F779 HydrophobicContact CG1-CE1 4.46Å; L656-F779 HydrophobicContact CD1-CE1 4.45Å; T739-F779 HydrophobicContact CG2-CE2 4.22Å; M758-F779 HydrophobicContact CE-CD2 4.08Å; F779-T781 PolarHBondContact O-N 3.42Å; F779-I782 HydrophobicContact CD1-CD1 4.15Å; F779-I782 HydrophobicContact CD2-CD1 3.88Å; F779-I782 HydrophobicContact CE1-CD1 4.01Å; F779-I782 HydrophobicContact CE2-CD1 3.73Å; F779-I782 HydrophobicContact CG-CD1 4.07Å; F779-I782 HydrophobicContact CZ-CD1 3.8Å; F779-I782 WeakPolarHBondContact O-CB 3.35Å; F779-I782 WeakPolarHBondContact O-CG1 3.42Å; F779-I782 PolarHBondContact O-N 3.07Å
780	A	87.7	Confident	88.7	Confident	33 Å²	33	17 Å²	17	27%	0.273	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.5	175	0	0	0	0	0	113.1	N778 I782 L783	N778-A780 PolarHBondContact O-N 3.11Å; N778-A780 VanDerWaalsContact O-N 3.12Å; N778-A780 VanDerWaalsContact OD1-CB 3.27Å; N778-A780 WeakPolarHBondContact OD1-CB 3.17Å; N778-A780 PolarHBondContact OD1-N 3.08Å; A780-I782 PolarHBondContact O-N 2.95Å; A780-L783 WeakPolarHBondContact O-CB 3.41Å; A780-L783 PolarHBondContact O-N 2.89Å
781	T	91.5	Very high	88.7	Confident	9 Å²	9	17.2 Å²	17.2	6%	0.055	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-24.8	176.9	-57.2	0	0	0	0	111.9	R342 A344 L774 D776 N778 F779 L783 A784 A785	R342-T781 WeakPolarHBondContact O-CG2 3.35Å; A344-T781 HydrophobicContact CB-CG2 3.85Å; L774-T781 HydrophobicContact CD2-CG2 3.87Å; D776-T781 PolarHBondContact OD1-OG1 2.93Å; D776-T781 VanDerWaalsContact OD1-OG1 3.14Å; D776-T781 PolarHBondContact OD2-OG1 2.86Å; N778-T781 WeakPolarHBondContact O-CB 3.38Å; N778-T781 PolarHBondContact O-N 2.82Å; N778-T781 PolarHBondContact O-OG1 3Å; F779-T781 PolarHBondContact O-N 3.42Å; T781-L783 VanDerWaalsContact C-N 3.28Å; T781-L783 PolarHBondContact O-N 3.34Å; T781-A784 PolarHBondContact O-N 3.38Å; T781-A785 PolarHBondContact O-N 3.44Å
782	I	91.3	Very high	88.7	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-40.7	172.5	-59.7	173.9	0	0	0	111	T739 I756 L774 F779 A780 A784 A785 M786	T739-I782 HydrophobicContact CG2-CD1 3.64Å; I756-I782 HydrophobicContact CD1-CD1 4.36Å; I756-I782 HydrophobicContact CD1-CG1 4.25Å; I756-I782 HydrophobicContact CD1-CG2 4.2Å; I756-I782 HydrophobicContact CG2-CG1 4.46Å; L774-I782 HydrophobicContact CD1-CD1 4.36Å; L774-I782 HydrophobicContact CD1-CG1 3.88Å; F779-I782 HydrophobicContact CD1-CD1 4.15Å; F779-I782 HydrophobicContact CD2-CD1 3.88Å; F779-I782 HydrophobicContact CE1-CD1 4.01Å; F779-I782 HydrophobicContact CE2-CD1 3.73Å; F779-I782 HydrophobicContact CG-CD1 4.07Å; F779-I782 HydrophobicContact CZ-CD1 3.8Å; F779-I782 WeakPolarHBondContact O-CB 3.35Å; F779-I782 WeakPolarHBondContact O-CG1 3.42Å; F779-I782 PolarHBondContact O-N 3.07Å; A780-I782 PolarHBondContact O-N 2.95Å; I782-A784 PolarHBondContact O-N 2.83Å; I782-A785 PolarHBondContact O-N 3.25Å; I782-M786 HydrophobicContact CG2-CG 4.34Å; I782-M786 HydrophobicContact CG2-SD 4.22Å; I782-M786 WeakPolarHBondContact O-CB 3.43Å; I782-M786 VanDerWaalsContact O-CG 3.32Å; I782-M786 WeakPolarHBondContact O-CG 3.35Å; I782-M786 PolarHBondContact O-N 3.46Å
783	L	89.6	Confident	88.6	Confident	22 Å²	22	18 Å²	18	12%	0.115	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-42	178.2	-70.2	172.7	0	0	0	111.9	C652 I655 L656 A780 T781 A785 M786 E787	C652-L783 HydrophobicContact CB-CD1 4.18Å; I655-L783 HydrophobicContact CB-CD1 3.97Å; I655-L783 HydrophobicContact CB-CD2 4.24Å; I655-L783 HydrophobicContact CD1-CD1 3.82Å; I655-L783 HydrophobicContact CG2-CD1 3.95Å; I655-L783 HydrophobicContact CG2-CD2 3.72Å; L656-L783 HydrophobicContact CD2-CD2 3.7Å; L656-L783 HydrophobicContact CG-CD2 3.93Å; A780-L783 WeakPolarHBondContact O-CB 3.41Å; A780-L783 PolarHBondContact O-N 2.89Å; T781-L783 VanDerWaalsContact C-N 3.28Å; T781-L783 PolarHBondContact O-N 3.34Å; L783-A785 VanDerWaalsContact C-N 3.3Å; L783-A785 PolarHBondContact O-N 3.37Å; L783-M786 PolarHBondContact O-N 2.98Å; L783-E787 PolarHBondContact O-N 3.01Å
784	A	87.8	Confident	88.4	Confident	20 Å²	20	20.6 Å²	20.6	17%	0.165	11%	0.113	C	C	.	.	H	α-helix	trans	-63.2	-39.4	176.6	0	0	0	0	0	111.4	T781 I782 E787 E788	T781-A784 PolarHBondContact O-N 3.38Å; I782-A784 PolarHBondContact O-N 2.83Å; A784-E787 WeakPolarHBondContact O-CB 3.44Å; A784-E787 PolarHBondContact O-N 3.36Å; A784-E788 PolarHBondContact O-N 2.96Å
785	A	89	Confident	88.3	Confident	2 Å²	2	20.8 Å²	20.8	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-69.4	-38.5	175.3	0	0	0	0	0	112	M339 A344 L355 T781 I782 L783 E787 E788 G789	M339-A785 HydrophobicContact CG-CB 4.06Å; M339-A785 HydrophobicContact SD-CB 3.97Å; A344-A785 HydrophobicContact CB-CB 4.33Å; L355-A785 HydrophobicContact CD2-CB 3.3Å; T781-A785 PolarHBondContact O-N 3.44Å; I782-A785 PolarHBondContact O-N 3.25Å; L783-A785 VanDerWaalsContact C-N 3.3Å; L783-A785 PolarHBondContact O-N 3.37Å; A785-E787 PolarHBondContact O-N 3.33Å; A785-E788 PolarHBondContact O-N 3.24Å; A785-G789 PolarHBondContact O-N 3.01Å
786	M	90.1	Very high	88.4	Confident	4 Å²	4	17.4 Å²	17.4	2%	0.02	10%	0.096	C	C	.	.	H	α-helix	trans	-63.7	-37.9	173.6	-74.8	-177.9	79	0	0	112.6	L355 L656 V661 I782 L783 G789 K790	L355-M786 HydrophobicContact CD1-CG 3.81Å; L355-M786 HydrophobicContact CD2-CG 4.17Å; L355-M786 HydrophobicContact CG-CB 4.38Å; L355-M786 HydrophobicContact CG-CG 3.61Å; L656-M786 HydrophobicContact CD2-CE 4.08Å; L656-M786 HydrophobicContact CD2-SD 3.33Å; L656-M786 WeakPolarHBondContact CD2-SD 3.32Å; V661-M786 HydrophobicContact CG2-CE 3.82Å; I782-M786 HydrophobicContact CG2-CG 4.34Å; I782-M786 HydrophobicContact CG2-SD 4.22Å; I782-M786 WeakPolarHBondContact O-CB 3.43Å; I782-M786 VanDerWaalsContact O-CG 3.32Å; I782-M786 WeakPolarHBondContact O-CG 3.35Å; I782-M786 PolarHBondContact O-N 3.46Å; L783-M786 PolarHBondContact O-N 2.98Å; M786-G789 PolarHBondContact O-N 3.22Å; M786-K790 WeakPolarHBondContact O-CG 3.22Å; M786-K790 PolarHBondContact O-N 3.49Å
787	E	89.1	Confident	88.5	Confident	28 Å²	28	16.1 Å²	16.1	13%	0.131	9%	0.088	C	C	.	.	H	α-helix	trans	-55.8	-52.3	173.8	-166.9	-175.3	178.1	0	0	111	R342 L783 A784 A785 K790 A791 P851 V856	R342-E787 IonicContact CZ-OE2 2.78Å; R342-E787 IonicContact NH1-OE2 2.72Å; R342-E787 PolarHBondContact NH1-OE2 2.83Å; R342-E787 IonicContact NH2-OE2 2.69Å; L783-E787 PolarHBondContact O-N 3.01Å; A784-E787 WeakPolarHBondContact O-CB 3.44Å; A784-E787 PolarHBondContact O-N 3.36Å; A785-E787 PolarHBondContact O-N 3.33Å; E787-K790 PolarHBondContact O-N 2.88Å; E787-A791 WeakPolarHBondContact O-CB 3.25Å; E787-A791 PolarHBondContact O-N 2.84Å; E787-P851 HydrophobicContact CG-CB 4.29Å; E787-V856 HydrophobicContact CB-CG2 3.58Å; E787-V856 HydrophobicContact CG-CG2 3.92Å
788	E	88.4	Confident	88.6	Confident	7 Å²	7	15.7 Å²	15.7	3%	0.033	9%	0.086	C	C	.	.	H	α-helix	trans	-65.5	-40.5	179.5	-68.9	-69.1	173.9	0	0	111.5	M339 A784 A785 K790 A791 L792	M339-E788 HydrophobicContact CE-CB 3.51Å; M339-E788 HydrophobicContact CE-CG 4.35Å; M339-E788 HydrophobicContact CG-CB 4.1Å; M339-E788 HydrophobicContact CG-CG 4.21Å; M339-E788 HydrophobicContact SD-CB 4.17Å; A784-E788 PolarHBondContact O-N 2.96Å; A785-E788 PolarHBondContact O-N 3.24Å; E788-K790 PolarHBondContact O-N 3.26Å; E788-A791 PolarHBondContact O-N 3.18Å; E788-L792 WeakPolarHBondContact O-CB 3.41Å; E788-L792 WeakPolarHBondContact O-CD1 3.48Å; E788-L792 VanDerWaalsContact O-CG 3.31Å; E788-L792 WeakPolarHBondContact O-CG 3.26Å; E788-L792 PolarHBondContact O-N 3.45Å
789	G	88.8	Confident	88.6	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-44.9	176.1	0	0	0	0	0	113	V352 A785 M786 F793	V352-G789 WeakPolarHBondContact O-CA 3.28Å; A785-G789 PolarHBondContact O-N 3.01Å; M786-G789 PolarHBondContact O-N 3.22Å; G789-F793 PolarHBondContact O-N 2.85Å
790	K	88	Confident	88.8	Confident	26 Å²	26	12.9 Å²	12.9	11%	0.113	7%	0.071	C	C	.	.	H	α-helix	trans	-66.1	-40.6	175.4	-71.1	179	-173.8	178.8	0	111.9	M786 E787 E788 F793 H794 V855 V856 Q858	M786-K790 WeakPolarHBondContact O-CG 3.22Å; M786-K790 PolarHBondContact O-N 3.49Å; E787-K790 PolarHBondContact O-N 2.88Å; E788-K790 PolarHBondContact O-N 3.26Å; K790-F793 PolarHBondContact O-N 3.33Å; K790-H794 PolarHBondContact O-N 2.79Å; K790-V855 HydrophobicContact CB-CG1 3.22Å; K790-V855 HydrophobicContact CD-CG1 3.63Å; K790-V855 WeakPolarHBondContact CD-O 3.12Å; K790-V855 HydrophobicContact CG-CG1 4.04Å; K790-V855 PolarHBondContact NZ-O 2.92Å; K790-V856 PolarHBondContact NZ-O 2.94Å; K790-Q858 PolarHBondContact NZ-O 2.97Å
791	A	87.4	Confident	88.9	Confident	6 Å²	6	11.3 Å²	11.3	5%	0.05	6%	0.058	C	C	.	.	H	α-helix	trans	-65.8	-42.1	178.4	0	0	0	0	0	112.3	E787 E788 F793 H794 N795 P851	E787-A791 WeakPolarHBondContact O-CB 3.25Å; E787-A791 PolarHBondContact O-N 2.84Å; E788-A791 PolarHBondContact O-N 3.18Å; A791-F793 VanDerWaalsContact C-N 3.32Å; A791-F793 PolarHBondContact O-N 2.86Å; A791-H794 WeakPolarHBondContact O-CB 3.35Å; A791-H794 PolarHBondContact O-N 2.86Å; A791-H794 VanDerWaalsContact O-N 3.1Å; A791-N795 VanDerWaalsContact O-CG 3.32Å; A791-N795 PolarHBondContact O-N 2.62Å; A791-N795 PolarHBondContact O-OD1 3.43Å; A791-P851 HydrophobicContact CB-CB 3.68Å; A791-P851 HydrophobicContact CB-CG 4.45Å
792	L	87.5	Confident	88.9	Confident	5 Å²	5	10.9 Å²	10.9	3%	0.026	6%	0.056	C	C	.	.	H	α-helix	trans	-57	-44	176.2	-81	160.4	0	0	0	112.1	T331 M339 V352 E788 H794 N795 I796	T331-L792 HydrophobicContact CG2-CD2 3.67Å; T331-L792 WeakPolarHBondContact O-CD2 3.42Å; M339-L792 HydrophobicContact CE-CD1 4.07Å; V352-L792 HydrophobicContact CB-CD1 4.23Å; V352-L792 HydrophobicContact CG1-CD1 3.17Å; E788-L792 WeakPolarHBondContact O-CB 3.41Å; E788-L792 WeakPolarHBondContact O-CD1 3.48Å; E788-L792 VanDerWaalsContact O-CG 3.31Å; E788-L792 WeakPolarHBondContact O-CG 3.26Å; E788-L792 PolarHBondContact O-N 3.45Å; L792-H794 VanDerWaalsContact C-N 3.31Å; L792-H794 PolarHBondContact O-N 2.93Å; L792-N795 PolarHBondContact O-N 3.05Å; L792-I796 WeakPolarHBondContact O-CB 3.39Å; L792-I796 WeakPolarHBondContact O-CG1 3.15Å; L792-I796 PolarHBondContact O-N 3.05Å
793	F	86.8	Confident	88.9	Confident	19 Å²	19	11 Å²	11	8%	0.083	6%	0.056	C	C	.	.	H	α-helix	trans	-62.2	-39.8	177.1	-175.7	-101	0	0	0	112.3	E353 G789 K790 A791 I796 K797 R861 I867	E353-F793 HydrophobicContact CG-CB 4.39Å; E353-F793 HydrophobicContact CG-CD2 4.18Å; E353-F793 VanDerWaalsContact OE1-CD2 3.24Å; E353-F793 WeakPolarHBondContact OE1-CD2 3.37Å; G789-F793 PolarHBondContact O-N 2.85Å; K790-F793 PolarHBondContact O-N 3.33Å; A791-F793 VanDerWaalsContact C-N 3.32Å; A791-F793 PolarHBondContact O-N 2.86Å; F793-I796 PolarHBondContact O-N 3.09Å; F793-K797 HydrophobicContact CD1-CD 4.21Å; F793-K797 HydrophobicContact CE1-CD 3.63Å; F793-K797 HydrophobicContact CE1-CG 4.21Å; F793-K797 HydrophobicContact CZ-CD 4.12Å; F793-K797 HydrophobicContact CZ-CG 4.42Å; F793-K797 PolarHBondContact O-N 2.82Å; F793-R861 VanDerWaalsContact CE1-CD 3.49Å; F793-R861 VanDerWaalsContact CE2-CZ 3.48Å; F793-I867 HydrophobicContact CE2-CD1 4.48Å; F793-I867 HydrophobicContact CE2-CG1 3.81Å; F793-I867 HydrophobicContact CZ-CG1 4.2Å
794	H	85.9	Confident	88.9	Confident	66 Å²	66	10.2 Å²	10.2	31%	0.306	5%	0.052	S	C	.	.	H	α-helix	trans	-64.3	-43.9	175.4	-169.3	65	0	0	0	111.7	K790 A791 L792 I796 K797 N798	K790-H794 PolarHBondContact O-N 2.79Å; A791-H794 WeakPolarHBondContact O-CB 3.35Å; A791-H794 PolarHBondContact O-N 2.86Å; A791-H794 VanDerWaalsContact O-N 3.1Å; L792-H794 VanDerWaalsContact C-N 3.31Å; L792-H794 PolarHBondContact O-N 2.93Å; H794-I796 VanDerWaalsContact C-N 3.32Å; H794-I796 PolarHBondContact O-N 2.75Å; H794-K797 PolarHBondContact O-N 3.02Å; H794-N798 PolarHBondContact CD2-ND2 3.22Å; H794-N798 PolarHBondContact NE2-ND2 2.81Å; H794-N798 VanDerWaalsContact O-CG 3.22Å; H794-N798 PolarHBondContact O-N 3.02Å; H794-N798 PolarHBondContact O-ND2 2.87Å; H794-N798 PolarHBondContact O-OD1 3.01Å
795	N	88.9	Confident	89.1	Confident	6 Å²	6	9.2 Å²	9.2	3%	0.032	4%	0.044	C	C	.	.	H	α-helix	trans	-63.7	-39.3	177.1	-66.6	-1.6	0	0	0	111.6	A791 L792 N798 F799 G847 E849	A791-N795 VanDerWaalsContact O-CG 3.32Å; A791-N795 PolarHBondContact O-N 2.62Å; A791-N795 PolarHBondContact O-OD1 3.43Å; L792-N795 PolarHBondContact O-N 3.05Å; N795-N798 WeakPolarHBondContact O-CB 3.3Å; N795-N798 PolarHBondContact O-N 3.4Å; N795-N798 VanDerWaalsContact O-N 3.17Å; N795-F799 WeakPolarHBondContact O-CD1 3.46Å; N795-F799 PolarHBondContact O-N 3.19Å; N795-F799 VanDerWaalsContact O-N 3.09Å; N795-G847 WeakPolarHBondContact CB-O 3.43Å; N795-G847 PolarHBondContact ND2-O 3.45Å; N795-E849 PolarHBondContact ND2-N 2.9Å; N795-E849 PolarHBondContact ND2-O 2.83Å
796	I	89	Confident	89.2	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.2	-47.6	173.9	-71	164.4	0	0	0	111	L272 T331 L332 L792 F793 H794 N798 F799 I800	L272-I796 HydrophobicContact CD1-CD1 3.98Å; L272-I796 HydrophobicContact CD1-CG2 4.21Å; L272-I796 HydrophobicContact CD2-CD1 3.9Å; T331-I796 HydrophobicContact CG2-CG1 4.39Å; L332-I796 HydrophobicContact CD2-CD1 4.46Å; L792-I796 WeakPolarHBondContact O-CB 3.39Å; L792-I796 WeakPolarHBondContact O-CG1 3.15Å; L792-I796 PolarHBondContact O-N 3.05Å; F793-I796 PolarHBondContact O-N 3.09Å; H794-I796 VanDerWaalsContact C-N 3.32Å; H794-I796 PolarHBondContact O-N 2.75Å; I796-N798 VanDerWaalsContact C-N 3.25Å; I796-N798 PolarHBondContact O-N 3.08Å; I796-F799 VanDerWaalsContact CA-CE1 3.43Å; I796-F799 HydrophobicContact CB-CE1 4Å; I796-F799 HydrophobicContact CG1-CE1 3.8Å; I796-F799 HydrophobicContact CG1-CZ 4.48Å; I796-F799 HydrophobicContact CG2-CE1 4.19Å; I796-F799 HydrophobicContact CG2-CZ 4.31Å; I796-I800 HydrophobicContact CG2-CD1 3.45Å; I796-I800 VanDerWaalsContact CG2-CD1 3.45Å; I796-I800 HydrophobicContact CG2-CG1 4.25Å; I796-I800 VanDerWaalsContact O-CB 3.28Å; I796-I800 WeakPolarHBondContact O-CB 3.37Å; I796-I800 VanDerWaalsContact O-CG1 3.25Å; I796-I800 WeakPolarHBondContact O-CG1 3.5Å; I796-I800 PolarHBondContact O-N 2.98Å
797	K	89.1	Confident	89.1	Confident	15 Å²	15	9.2 Å²	9.2	7%	0.065	4%	0.044	C	C	.	.	H	α-helix	trans	-59.1	-36.6	174.9	-79.5	-172.3	161.7	178	0	112.6	F793 H794 G801 S866 I867 D869 L872	F793-K797 HydrophobicContact CD1-CD 4.21Å; F793-K797 HydrophobicContact CE1-CD 3.63Å; F793-K797 HydrophobicContact CE1-CG 4.21Å; F793-K797 HydrophobicContact CZ-CD 4.12Å; F793-K797 HydrophobicContact CZ-CG 4.42Å; F793-K797 PolarHBondContact O-N 2.82Å; H794-K797 PolarHBondContact O-N 3.02Å; K797-G801 PolarHBondContact O-N 2.86Å; K797-S866 WeakPolarHBondContact CE-O 3.29Å; K797-S866 PolarHBondContact NZ-O 2.81Å; K797-S866 VanDerWaalsContact NZ-O 3.09Å; K797-I867 WeakPolarHBondContact CE-O 3.38Å; K797-I867 HydrophobicContact CG-CG2 4.16Å; K797-D869 VanDerWaalsContact NZ-CG 3.26Å; K797-D869 IonicContact NZ-OD1 2.85Å; K797-D869 PolarHBondContact NZ-OD1 2.78Å; K797-D869 IonicContact NZ-OD2 2.61Å; K797-D869 PolarHBondContact NZ-OD2 3.27Å; K797-L872 HydrophobicContact CB-CD2 4.38Å
798	N	88.7	Confident	89.1	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-67.4	-51.7	-178.9	-70.6	-15.2	0	0	0	112.3	H794 N795 I796 G801 F802 F923 Q926	H794-N798 PolarHBondContact CD2-ND2 3.22Å; H794-N798 PolarHBondContact NE2-ND2 2.81Å; H794-N798 VanDerWaalsContact O-CG 3.22Å; H794-N798 PolarHBondContact O-N 3.02Å; H794-N798 PolarHBondContact O-ND2 2.87Å; H794-N798 PolarHBondContact O-OD1 3.01Å; N795-N798 WeakPolarHBondContact O-CB 3.3Å; N795-N798 PolarHBondContact O-N 3.4Å; N795-N798 VanDerWaalsContact O-N 3.17Å; I796-N798 VanDerWaalsContact C-N 3.25Å; I796-N798 PolarHBondContact O-N 3.08Å; N798-G801 PolarHBondContact O-N 3.33Å; N798-F802 PolarHBondContact O-N 3.17Å; N798-F802 VanDerWaalsContact O-N 3.13Å; N798-F923 WeakPolarHBondContact CB-O 3.41Å; N798-Q926 WeakPolarHBondContact OD1-CG 3.28Å; N798-Q926 PolarHBondContact OD1-NE2 3.49Å; N798-Q926 VanDerWaalsContact OD1-NE2 3.14Å
799	F	89.9	Confident	89.3	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-72.9	-33.7	-179.4	84	-107.9	0	0	0	112.5	L324 V327 V328 N795 I796 G801 F802 Q803 A843 L846	L324-F799 HydrophobicContact CG-CE2 4.3Å; V327-F799 HydrophobicContact CB-CD2 4.26Å; V327-F799 HydrophobicContact CB-CE2 3.91Å; V327-F799 HydrophobicContact CB-CZ 4.2Å; V327-F799 HydrophobicContact CG1-CD1 3.85Å; V327-F799 HydrophobicContact CG1-CD2 3.49Å; V327-F799 VanDerWaalsContact CG1-CD2 3.49Å; V327-F799 HydrophobicContact CG1-CE1 3.78Å; V327-F799 HydrophobicContact CG1-CE2 3.47Å; V327-F799 VanDerWaalsContact CG1-CE2 3.47Å; V327-F799 HydrophobicContact CG1-CG 3.73Å; V327-F799 HydrophobicContact CG1-CZ 3.64Å; V328-F799 HydrophobicContact CB-CZ 4.48Å; V328-F799 HydrophobicContact CG2-CE2 4.39Å; V328-F799 HydrophobicContact CG2-CZ 3.61Å; N795-F799 WeakPolarHBondContact O-CD1 3.46Å; N795-F799 PolarHBondContact O-N 3.19Å; N795-F799 VanDerWaalsContact O-N 3.09Å; I796-F799 VanDerWaalsContact CA-CE1 3.43Å; I796-F799 HydrophobicContact CB-CE1 4Å; I796-F799 HydrophobicContact CG1-CE1 3.8Å; I796-F799 HydrophobicContact CG1-CZ 4.48Å; I796-F799 HydrophobicContact CG2-CE1 4.19Å; I796-F799 HydrophobicContact CG2-CZ 4.31Å; F799-G801 VanDerWaalsContact C-N 3.31Å; F799-G801 PolarHBondContact O-N 3.48Å; F799-F802 WeakPolarHBondContact O-CB 3.45Å; F799-F802 PolarHBondContact O-N 2.83Å; F799-Q803 PolarHBondContact O-N 3.08Å; F799-A843 HydrophobicContact CB-CB 4.14Å; F799-A843 VanDerWaalsContact CB-O 3.31Å; F799-A843 WeakPolarHBondContact CB-O 3.4Å; F799-A843 HydrophobicContact CD2-CB 4.31Å; F799-L846 HydrophobicContact CB-CB 3.82Å; F799-L846 HydrophobicContact CB-CD1 4.34Å
800	I	89.8	Confident	89.3	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.8	-41.1	174.7	-72.6	177.9	0	0	0	110.1	M276 L279 L324 I796 F802 Q803 L804 I867	M276-I800 HydrophobicContact CE-CD1 3.41Å; M276-I800 VanDerWaalsContact CE-CD1 3.41Å; M276-I800 HydrophobicContact SD-CD1 4.21Å; L279-I800 HydrophobicContact CD2-CG2 4.19Å; L324-I800 HydrophobicContact CD1-CD1 4.41Å; L324-I800 HydrophobicContact CD1-CG1 4.05Å; L324-I800 HydrophobicContact CG-CG1 4.35Å; I796-I800 HydrophobicContact CG2-CD1 3.45Å; I796-I800 VanDerWaalsContact CG2-CD1 3.45Å; I796-I800 HydrophobicContact CG2-CG1 4.25Å; I796-I800 VanDerWaalsContact O-CB 3.28Å; I796-I800 WeakPolarHBondContact O-CB 3.37Å; I796-I800 VanDerWaalsContact O-CG1 3.25Å; I796-I800 WeakPolarHBondContact O-CG1 3.5Å; I796-I800 PolarHBondContact O-N 2.98Å; I800-F802 VanDerWaalsContact C-N 3.32Å; I800-F802 PolarHBondContact O-N 2.82Å; I800-Q803 PolarHBondContact O-N 3.34Å; I800-L804 HydrophobicContact CG2-CD1 3.58Å; I800-L804 HydrophobicContact CG2-CG 4.5Å; I800-L804 VanDerWaalsContact O-CB 3.28Å; I800-L804 WeakPolarHBondContact O-CB 3.29Å; I800-L804 PolarHBondContact O-N 3.05Å; I800-I867 HydrophobicContact CD1-CG2 3.74Å; I800-I867 HydrophobicContact CG2-CG2 4.25Å
801	G	91	Very high	89.3	Confident	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.8	-45	173.4	0	0	0	0	0	112.4	K797 N798 F799 S805 V876	K797-G801 PolarHBondContact O-N 2.86Å; N798-G801 PolarHBondContact O-N 3.33Å; F799-G801 VanDerWaalsContact C-N 3.31Å; F799-G801 PolarHBondContact O-N 3.48Å; G801-S805 WeakPolarHBondContact O-CB 3.06Å; G801-S805 PolarHBondContact O-N 3.45Å; G801-S805 VanDerWaalsContact O-N 3.09Å; G801-S805 PolarHBondContact O-OG 2.88Å; G801-V876 WeakPolarHBondContact O-CG2 3.49Å
802	F	91.8	Very high	89.5	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.4	-58.5	174.5	166.5	-113.5	0	0	0	111.7	N798 F799 I800 L804 S805 T806 D839 P842 A843 L846 D916 A920 F923	N798-F802 PolarHBondContact O-N 3.17Å; N798-F802 VanDerWaalsContact O-N 3.13Å; F799-F802 WeakPolarHBondContact O-CB 3.45Å; F799-F802 PolarHBondContact O-N 2.83Å; I800-F802 VanDerWaalsContact C-N 3.32Å; I800-F802 PolarHBondContact O-N 2.82Å; F802-L804 VanDerWaalsContact C-N 3.34Å; F802-L804 PolarHBondContact O-N 3.4Å; F802-S805 PolarHBondContact O-N 3.45Å; F802-S805 PolarHBondContact O-OG 3.13Å; F802-T806 PolarHBondContact O-N 3.33Å; F802-T806 VanDerWaalsContact O-N 3.17Å; F802-T806 PolarHBondContact O-OG1 3.18Å; F802-D839 HydrophobicContact CE1-CB 4.37Å; F802-D839 WeakPolarHBondContact CZ-OD1 3.38Å; F802-P842 HydrophobicContact CE1-CB 4.23Å; F802-P842 HydrophobicContact CZ-CB 4.47Å; F802-A843 HydrophobicContact CD1-CB 4.1Å; F802-A843 HydrophobicContact CE1-CB 4.27Å; F802-L846 HydrophobicContact CB-CD1 3.91Å; F802-L846 HydrophobicContact CD1-CD1 4.11Å; F802-L846 HydrophobicContact CG-CD1 4.09Å; F802-D916 HydrophobicContact CE2-CB 4.3Å; F802-D916 WeakPolarHBondContact CE2-O 3.4Å; F802-A920 HydrophobicContact CD2-CB 3.94Å; F802-A920 HydrophobicContact CE2-CB 3.69Å; F802-A920 HydrophobicContact CG-CB 4.5Å; F802-A920 HydrophobicContact CZ-CB 4.02Å; F802-F923 HydrophobicContact CB-CB 4.06Å; F802-F923 HydrophobicContact CB-CD2 4Å; F802-F923 HydrophobicContact CB-CG 4.1Å
803	Q	90.9	Very high	89.6	Confident	3 Å²	3	10.9 Å²	10.9	1%	0.014	6%	0.056	C	C	.	.	H	α-helix	trans	-57.5	-43.3	-178.8	-73.6	-177.3	-35.4	0	0	112.8	F799 I800 S805 T806 S807 A843	F799-Q803 PolarHBondContact O-N 3.08Å; I800-Q803 PolarHBondContact O-N 3.34Å; Q803-S805 VanDerWaalsContact C-N 3.33Å; Q803-S805 PolarHBondContact O-N 3.45Å; Q803-T806 PolarHBondContact O-N 3.01Å; Q803-S807 PolarHBondContact O-N 3.34Å; Q803-S807 PolarHBondContact O-OG 2.82Å; Q803-S807 VanDerWaalsContact O-OG 3.12Å; Q803-A843 HydrophobicContact CG-CB 3.97Å
804	L	89.6	Confident	89.5	Confident	6 Å²	6	10 Å²	10	3%	0.031	5%	0.053	C	C	.	.	H	α-helix	trans	-62.5	-39.7	177.3	-92.9	158.4	0	0	0	112.8	L279 L283 I800 F802 T806 S807 I808 L868 V876	L279-L804 HydrophobicContact CD1-CD1 4.29Å; L283-L804 HydrophobicContact CD1-CD2 3.33Å; L283-L804 HydrophobicContact CD1-CG 4.44Å; I800-L804 HydrophobicContact CG2-CD1 3.58Å; I800-L804 HydrophobicContact CG2-CG 4.5Å; I800-L804 VanDerWaalsContact O-CB 3.28Å; I800-L804 WeakPolarHBondContact O-CB 3.29Å; I800-L804 PolarHBondContact O-N 3.05Å; F802-L804 VanDerWaalsContact C-N 3.34Å; F802-L804 PolarHBondContact O-N 3.4Å; L804-T806 VanDerWaalsContact C-N 3.28Å; L804-T806 PolarHBondContact O-N 3.28Å; L804-S807 PolarHBondContact O-N 2.84Å; L804-I808 HydrophobicContact CD2-CD1 4.12Å; L804-I808 VanDerWaalsContact O-CB 3.26Å; L804-I808 WeakPolarHBondContact O-CB 3.35Å; L804-I808 WeakPolarHBondContact O-CD1 3.42Å; L804-I808 WeakPolarHBondContact O-CG1 3.33Å; L804-I808 PolarHBondContact O-N 3.49Å; L804-L868 HydrophobicContact CD1-CD1 4.02Å; L804-L868 HydrophobicContact CD1-CD2 3.3Å; L804-L868 HydrophobicContact CD1-CG 4.14Å; L804-V876 HydrophobicContact CB-CG1 4.1Å; L804-V876 HydrophobicContact CB-CG2 4.43Å
805	S	92.3	Very high	89.5	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.2	-36.3	178.5	62.5	0	0	0	0	111.9	G801 F802 Q803 A809 N919	G801-S805 WeakPolarHBondContact O-CB 3.06Å; G801-S805 PolarHBondContact O-N 3.45Å; G801-S805 VanDerWaalsContact O-N 3.09Å; G801-S805 PolarHBondContact O-OG 2.88Å; F802-S805 PolarHBondContact O-N 3.45Å; F802-S805 PolarHBondContact O-OG 3.13Å; Q803-S805 VanDerWaalsContact C-N 3.33Å; Q803-S805 PolarHBondContact O-N 3.45Å; S805-A809 WeakPolarHBondContact O-CB 3.4Å; S805-A809 PolarHBondContact O-N 3.45Å; S805-N919 PolarHBondContact OG-ND2 3.1Å
806	T	90.5	Very high	89.5	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.6	-52.8	173.9	-46.1	0	0	0	0	111.4	F802 Q803 L804 I808 A809 A810 I834 D839 F912 D916	F802-T806 PolarHBondContact O-N 3.33Å; F802-T806 VanDerWaalsContact O-N 3.17Å; F802-T806 PolarHBondContact O-OG1 3.18Å; Q803-T806 PolarHBondContact O-N 3.01Å; L804-T806 VanDerWaalsContact C-N 3.28Å; L804-T806 PolarHBondContact O-N 3.28Å; T806-I808 PolarHBondContact O-N 3.46Å; T806-A809 WeakPolarHBondContact O-CB 3.34Å; T806-A809 PolarHBondContact O-N 2.97Å; T806-A809 VanDerWaalsContact O-N 3.14Å; T806-A810 PolarHBondContact O-N 2.97Å; T806-I834 HydrophobicContact CG2-CG2 3.86Å; T806-D839 WeakPolarHBondContact CB-OD2 3.3Å; T806-D839 WeakPolarHBondContact CG2-OD2 3.4Å; T806-D839 PolarHBondContact OG1-OD1 3.12Å; T806-F912 HydrophobicContact CG2-CE1 3.68Å; T806-F912 HydrophobicContact CG2-CZ 4.15Å; T806-D916 WeakPolarHBondContact CG2-OD1 3.47Å; T806-D916 VanDerWaalsContact CG2-OD2 3.23Å; T806-D916 WeakPolarHBondContact CG2-OD2 3.24Å
807	S	88	Confident	89.4	Confident	5 Å²	5	10.6 Å²	10.6	4%	0.035	6%	0.06	C	C	.	.	H	α-helix	trans	-62.2	-41.1	-179.1	-52.8	0	0	0	0	112.4	Q803 L804 A810 L811	Q803-S807 PolarHBondContact O-N 3.34Å; Q803-S807 PolarHBondContact O-OG 2.82Å; Q803-S807 VanDerWaalsContact O-OG 3.12Å; L804-S807 PolarHBondContact O-N 2.84Å; S807-A810 PolarHBondContact O-N 2.89Å; S807-L811 VanDerWaalsContact O-CB 3.27Å; S807-L811 WeakPolarHBondContact O-CB 3.36Å; S807-L811 PolarHBondContact O-N 3.35Å
808	I	89.9	Confident	89	Confident	43 Å²	43	10.1 Å²	10.1	22%	0.221	6%	0.059	C	C	.	.	H	α-helix	trans	-65.7	-41.1	175.7	-69.4	167.7	0	0	0	110.4	L804 T806 T812 V876	L804-I808 HydrophobicContact CD2-CD1 4.12Å; L804-I808 VanDerWaalsContact O-CB 3.26Å; L804-I808 WeakPolarHBondContact O-CB 3.35Å; L804-I808 WeakPolarHBondContact O-CD1 3.42Å; L804-I808 WeakPolarHBondContact O-CG1 3.33Å; L804-I808 PolarHBondContact O-N 3.49Å; T806-I808 PolarHBondContact O-N 3.46Å; I808-T812 WeakPolarHBondContact O-CB 3.41Å; I808-T812 PolarHBondContact O-N 2.99Å; I808-T812 PolarHBondContact O-OG1 2.95Å; I808-V876 HydrophobicContact CD1-CG1 3.64Å
809	A	92.2	Very high	88.8	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-47.6	176.8	0	0	0	0	0	111.6	S805 T806 T812 L813 I883 V884 F912	S805-A809 WeakPolarHBondContact O-CB 3.4Å; S805-A809 PolarHBondContact O-N 3.45Å; T806-A809 WeakPolarHBondContact O-CB 3.34Å; T806-A809 PolarHBondContact O-N 2.97Å; T806-A809 VanDerWaalsContact O-N 3.14Å; A809-T812 PolarHBondContact O-N 3.45Å; A809-L813 VanDerWaalsContact O-CB 3.22Å; A809-L813 WeakPolarHBondContact O-CB 3.46Å; A809-L813 PolarHBondContact O-N 3.36Å; A809-I883 HydrophobicContact CB-CB 4.02Å; A809-I883 HydrophobicContact CB-CD1 4.48Å; A809-I883 HydrophobicContact CB-CG2 3.85Å; A809-V884 HydrophobicContact CB-CG2 4.01Å; A809-V884 WeakPolarHBondContact O-CG2 3.42Å; A809-F912 HydrophobicContact CB-CE2 4.12Å; A809-F912 HydrophobicContact CB-CZ 4.05Å
810	A	89	Confident	88.6	Confident	2 Å²	2	18.9 Å²	18.9	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-49.3	178.4	0	0	0	0	0	111.6	A318 T806 S807 T812 L813 I814 F912	A318-A810 HydrophobicContact CB-CB 4.3Å; T806-A810 PolarHBondContact O-N 2.97Å; S807-A810 PolarHBondContact O-N 2.89Å; A810-T812 VanDerWaalsContact C-N 3.34Å; A810-T812 PolarHBondContact O-N 3.12Å; A810-L813 PolarHBondContact O-N 3.17Å; A810-I814 WeakPolarHBondContact O-CD1 3.14Å; A810-I814 VanDerWaalsContact O-CG1 3.3Å; A810-I814 WeakPolarHBondContact O-CG1 3.27Å; A810-I814 PolarHBondContact O-N 2.96Å; A810-F912 HydrophobicContact CB-CE2 4.31Å; A810-F912 HydrophobicContact CB-CZ 3.82Å
811	L	88.1	Confident	88.2	Confident	13 Å²	13	22.5 Å²	22.5	7%	0.068	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-42.5	179.5	-167.1	117.4	0	0	0	111.7	I290 L315 A319 S807 A815	I290-L811 HydrophobicContact CB-CD2 4.09Å; I290-L811 HydrophobicContact CD1-CD2 3.38Å; I290-L811 HydrophobicContact CG1-CD2 4.31Å; I290-L811 HydrophobicContact CG2-CD2 3.7Å; I290-L811 HydrophobicContact CG2-CG 4.44Å; L315-L811 HydrophobicContact CD2-CD1 4.17Å; L315-L811 HydrophobicContact CD2-CG 3.98Å; A319-L811 HydrophobicContact CB-CD1 3.61Å; S807-L811 VanDerWaalsContact O-CB 3.27Å; S807-L811 WeakPolarHBondContact O-CB 3.36Å; S807-L811 PolarHBondContact O-N 3.35Å; L811-A815 WeakPolarHBondContact O-CB 3.1Å; L811-A815 PolarHBondContact O-N 3.34Å
812	T	90.1	Very high	87.7	Confident	50 Å²	50	23.7 Å²	23.7	31%	0.307	14%	0.136	S	C	.	.	H	α-helix	trans	-69.3	-39	179	-54.8	0	0	0	0	111.8	I808 A809 A810 A815 L816 V884	I808-T812 WeakPolarHBondContact O-CB 3.41Å; I808-T812 PolarHBondContact O-N 2.99Å; I808-T812 PolarHBondContact O-OG1 2.95Å; A809-T812 PolarHBondContact O-N 3.45Å; A810-T812 VanDerWaalsContact C-N 3.34Å; A810-T812 PolarHBondContact O-N 3.12Å; T812-A815 PolarHBondContact O-N 3.49Å; T812-L816 HydrophobicContact CG2-CD1 3.81Å; T812-L816 HydrophobicContact CG2-CG 4.5Å; T812-L816 VanDerWaalsContact O-CB 3.32Å; T812-L816 WeakPolarHBondContact O-CB 2.98Å; T812-L816 PolarHBondContact O-N 2.82Å; T812-V884 HydrophobicContact CG2-CG1 4.33Å; T812-V884 HydrophobicContact CG2-CG2 4.18Å
813	L	90.6	Very high	87.1	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-47.9	177.3	-179.6	67	0	0	0	111.3	A809 A810 L816 S817 P825 L826 V884 L888 F912	A809-L813 VanDerWaalsContact O-CB 3.22Å; A809-L813 WeakPolarHBondContact O-CB 3.46Å; A809-L813 PolarHBondContact O-N 3.36Å; A810-L813 PolarHBondContact O-N 3.17Å; L813-L816 PolarHBondContact O-N 3.22Å; L813-S817 WeakPolarHBondContact O-CB 3.18Å; L813-S817 PolarHBondContact O-N 2.62Å; L813-P825 HydrophobicContact CD1-CG 4.48Å; L813-P825 HydrophobicContact CD2-CG 4.11Å; L813-P825 HydrophobicContact CG-CG 3.88Å; L813-L826 HydrophobicContact CD2-CD1 4.1Å; L813-V884 HydrophobicContact CB-CG2 4.48Å; L813-L888 HydrophobicContact CD1-CB 4.16Å; L813-L888 HydrophobicContact CD1-CD1 3.99Å; L813-F912 HydrophobicContact CD2-CD2 3.93Å; L813-F912 HydrophobicContact CD2-CE2 4.18Å
814	I	85.1	Confident	86.4	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-66.7	-42.1	178.2	-61.8	163.3	0	0	0	110.5	I311 L315 A318 A810 S817 T818 I831	I311-I814 HydrophobicContact CG2-CG2 4.44Å; L315-I814 HydrophobicContact CD1-CG2 4.46Å; L315-I814 HydrophobicContact CD2-CB 3.85Å; L315-I814 HydrophobicContact CD2-CD1 4.5Å; L315-I814 HydrophobicContact CD2-CG2 3.71Å; L315-I814 HydrophobicContact CG-CG2 3.86Å; A318-I814 HydrophobicContact CB-CD1 4.28Å; A810-I814 WeakPolarHBondContact O-CD1 3.14Å; A810-I814 VanDerWaalsContact O-CG1 3.3Å; A810-I814 WeakPolarHBondContact O-CG1 3.27Å; A810-I814 PolarHBondContact O-N 2.96Å; I814-S817 PolarHBondContact O-N 2.75Å; I814-T818 WeakPolarHBondContact O-CB 3.34Å; I814-T818 PolarHBondContact O-N 2.61Å; I814-T818 PolarHBondContact O-OG1 3.24Å; I814-I831 HydrophobicContact CD1-CD1 3.55Å
815	A	86.1	Confident	86.1	Confident	20 Å²	20	28 Å²	28	17%	0.165	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-47.9	176.5	0	0	0	0	0	112.2	I294 L811 T812 T818 L819	I294-A815 HydrophobicContact CD1-CB 3.5Å; I294-A815 HydrophobicContact CG1-CB 4.36Å; L811-A815 WeakPolarHBondContact O-CB 3.1Å; L811-A815 PolarHBondContact O-N 3.34Å; T812-A815 PolarHBondContact O-N 3.49Å; A815-T818 PolarHBondContact O-N 3.12Å; A815-L819 WeakPolarHBondContact O-CB 3.43Å; A815-L819 PolarHBondContact O-N 3.14Å
816	L	88.7	Confident	85.7	Confident	62 Å²	62	28.2 Å²	28.2	33%	0.325	17%	0.167	S	C	.	.	H	α-helix	trans	-64.5	-44.1	178.1	-86.4	161.7	0	0	0	111.9	T812 L813 T818 L819 L820 V884	T812-L816 HydrophobicContact CG2-CD1 3.81Å; T812-L816 HydrophobicContact CG2-CG 4.5Å; T812-L816 VanDerWaalsContact O-CB 3.32Å; T812-L816 WeakPolarHBondContact O-CB 2.98Å; T812-L816 PolarHBondContact O-N 2.82Å; L813-L816 PolarHBondContact O-N 3.22Å; L816-T818 VanDerWaalsContact C-N 3.31Å; L816-T818 PolarHBondContact O-N 3.1Å; L816-L819 PolarHBondContact O-N 3.19Å; L816-L820 WeakPolarHBondContact O-CB 3.4Å; L816-L820 VanDerWaalsContact O-CG 3.27Å; L816-L820 WeakPolarHBondContact O-CG 3.46Å; L816-L820 PolarHBondContact O-N 3.22Å; L816-V884 HydrophobicContact CD1-CG1 3.73Å
817	S	85.7	Confident	85	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-46.2	176.3	177.1	0	0	0	0	111.1	L813 I814 L819 L820 S821 L822 P823	L813-S817 WeakPolarHBondContact O-CB 3.18Å; L813-S817 PolarHBondContact O-N 2.62Å; I814-S817 PolarHBondContact O-N 2.75Å; S817-L819 PolarHBondContact O-N 3.03Å; S817-L820 CarbonylContact O-C 3.46Å; S817-L820 PolarHBondContact O-N 3.19Å; S817-S821 PolarHBondContact O-N 2.61Å; S817-L822 WeakPolarHBondContact O-CB 3.46Å; S817-L822 PolarHBondContact O-N 3.23Å; S817-L822 VanDerWaalsContact OG-CB 3.3Å; S817-L822 WeakPolarHBondContact OG-CB 3.09Å; S817-P823 PolarHBondContact OG-O 2.81Å
818	T	81.8	Confident	84.3	Confident	6 Å²	6	32 Å²	32	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-44.1	178.8	-49.9	0	0	0	0	111.7	I294 Q301 I311 I814 A815 L816 L820 S821	I294-T818 HydrophobicContact CG2-CG2 3.74Å; Q301-T818 PolarHBondContact OE1-O 3.35Å; I311-T818 HydrophobicContact CD1-CG2 4.32Å; I814-T818 WeakPolarHBondContact O-CB 3.34Å; I814-T818 PolarHBondContact O-N 2.61Å; I814-T818 PolarHBondContact O-OG1 3.24Å; A815-T818 PolarHBondContact O-N 3.12Å; L816-T818 VanDerWaalsContact C-N 3.31Å; L816-T818 PolarHBondContact O-N 3.1Å; T818-L820 VanDerWaalsContact C-N 3.3Å; T818-L820 PolarHBondContact O-N 2.91Å; T818-S821 PolarHBondContact O-N 2.79Å
819	L	84.7	Confident	83.5	Confident	99 Å²	99	31.8 Å²	31.8	52%	0.518	19%	0.192	S	C	.	.	H	α-helix	trans	-64.5	-35.7	-179.9	-165.1	130.9	0	0	0	112.1	I297 Q301 A815 L816 S817 S821	I297-L819 HydrophobicContact CD1-CD1 4.11Å; Q301-L819 PolarHBondContact NE2-O 3.27Å; A815-L819 WeakPolarHBondContact O-CB 3.43Å; A815-L819 PolarHBondContact O-N 3.14Å; L816-L819 PolarHBondContact O-N 3.19Å; S817-L819 PolarHBondContact O-N 3.03Å; L819-S821 PolarHBondContact O-N 3.39Å
820	L	85.4	Confident	83.1	Confident	85 Å²	85	31.8 Å²	31.8	45%	0.445	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	6.6	175.1	-64.6	173.3	0	0	0	113.5	L816 S817 T818 L822 F892	L816-L820 WeakPolarHBondContact O-CB 3.4Å; L816-L820 VanDerWaalsContact O-CG 3.27Å; L816-L820 WeakPolarHBondContact O-CG 3.46Å; L816-L820 PolarHBondContact O-N 3.22Å; S817-L820 CarbonylContact O-C 3.46Å; S817-L820 PolarHBondContact O-N 3.19Å; T818-L820 VanDerWaalsContact C-N 3.3Å; T818-L820 PolarHBondContact O-N 2.91Å; L820-L822 HydrophobicContact CB-CD1 3.88Å; L820-L822 HydrophobicContact CB-CG 4.03Å; L820-L822 HydrophobicContact CD1-CD1 4.25Å; L820-L822 PolarHBondContact O-N 2.78Å; L820-F892 HydrophobicContact CD1-CZ 4.08Å
821	S	81.1	Confident	82.7	Confident	76 Å²	76	31.8 Å²	31.8	53%	0.531	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	28.4	-177.5	-55.5	0	0	0	0	114.1	Q301 S817 T818 L819	Q301-S821 PolarHBondContact NE2-OG 3.16Å; S817-S821 PolarHBondContact O-N 2.61Å; T818-S821 PolarHBondContact O-N 2.79Å; L819-S821 PolarHBondContact O-N 3.39Å
822	L	80.2	Confident	82.1	Confident	26 Å²	26	32.2 Å²	32.2	14%	0.136	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-87.2	158.9	176.7	-65.8	168.2	0	0	0	110.8	R303 S817 L820 F891 F892 L895	R303-L822 PolarHBondContact NH2-O 2.86Å; S817-L822 WeakPolarHBondContact O-CB 3.46Å; S817-L822 PolarHBondContact O-N 3.23Å; S817-L822 VanDerWaalsContact OG-CB 3.3Å; S817-L822 WeakPolarHBondContact OG-CB 3.09Å; L820-L822 HydrophobicContact CB-CD1 3.88Å; L820-L822 HydrophobicContact CB-CG 4.03Å; L820-L822 HydrophobicContact CD1-CD1 4.25Å; L820-L822 PolarHBondContact O-N 2.78Å; L822-F891 HydrophobicContact CB-CE1 4.25Å; L822-F891 HydrophobicContact CD1-CE1 4.32Å; L822-F892 HydrophobicContact CD1-CD1 4.45Å; L822-F892 HydrophobicContact CD1-CE1 3.48Å; L822-F892 VanDerWaalsContact CD1-CE1 3.48Å; L822-F892 HydrophobicContact CD1-CE2 4.44Å; L822-F892 HydrophobicContact CD1-CZ 3.48Å; L822-F892 VanDerWaalsContact CD1-CZ 3.48Å; L822-F892 HydrophobicContact CD2-CE1 4.09Å; L822-F892 HydrophobicContact CG-CE1 4.4Å; L822-L895 HydrophobicContact CD2-CD2 4.02Å
823	P	79.3	Confident	81.9	Confident	49 Å²	49	30.6 Å²	30.6	32%	0.318	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-66.3	152.4	168.9	22.3	-26.1	0	0	0	110.9	S817 P825 F891 L895 V900	S817-P823 PolarHBondContact OG-O 2.81Å; P823-P825 WeakPolarHBondContact O-CD 3.39Å; P823-F891 HydrophobicContact CG-CZ 4.19Å; P823-F891 WeakPolarHBondContact O-CZ 3.21Å; P823-L895 HydrophobicContact CG-CD1 4.32Å; P823-V900 HydrophobicContact CB-CG2 3.6Å; P823-V900 HydrophobicContact CG-CG2 3.23Å
824	S	76.2	Confident	81.7	Confident	51 Å²	51	30.7 Å²	30.7	36%	0.357	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-59.8	122.7	-179.3	-171.4	0	0	0	0	110	L826	S824-L826 PolarHBondContact O-N 2.78Å; S824-L826 PolarHBondContact OG-O 2.81Å
825	P	83.8	Confident	81.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-71.4	-22	-174.7	27.3	-32.6	0	0	0	112.6	L813 P823 F891 T908	L813-P825 HydrophobicContact CD1-CG 4.48Å; L813-P825 HydrophobicContact CD2-CG 4.11Å; L813-P825 HydrophobicContact CG-CG 3.88Å; P823-P825 WeakPolarHBondContact O-CD 3.39Å; P825-F891 HydrophobicContact CB-CD1 4.33Å; P825-F891 HydrophobicContact CB-CD2 3.9Å; P825-F891 HydrophobicContact CB-CE1 4.31Å; P825-F891 HydrophobicContact CB-CE2 3.88Å; P825-F891 HydrophobicContact CB-CG 4.12Å; P825-F891 HydrophobicContact CB-CZ 4.07Å; P825-T908 HydrophobicContact CB-CG2 4.06Å
826	L	83.5	Confident	80.9	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	19%	0.193	C	C	.	.	S	Bend	trans	-131.4	142.1	179.7	-61.6	171.6	0	0	0	109.2	L813 S824 I831 I834 F909 F912	L813-L826 HydrophobicContact CD2-CD1 4.1Å; S824-L826 PolarHBondContact O-N 2.78Å; S824-L826 PolarHBondContact OG-O 2.81Å; L826-I831 HydrophobicContact CB-CD1 4.38Å; L826-I831 HydrophobicContact CB-CG1 4.05Å; L826-I834 HydrophobicContact CD1-CD1 4.28Å; L826-F909 HydrophobicContact CD2-CB 3.88Å; L826-F909 HydrophobicContact CD2-CD2 4.35Å; L826-F912 HydrophobicContact CD1-CD2 4.28Å; L826-F912 HydrophobicContact CD1-CG 4.46Å
827	N	76.1	Confident	80.5	Confident	34 Å²	34	33.9 Å²	33.9	18%	0.182	20%	0.197	C	C	.	.			trans	-86.2	164.8	172	72.4	23.7	0	0	0	111.1	M829 Q830 I831 F965 Q966	N827-M829 VanDerWaalsContact C-N 3.26Å; N827-M829 PolarHBondContact O-N 2.98Å; N827-M829 PolarHBondContact OD1-N 2.87Å; N827-Q830 VanDerWaalsContact N-OE1 3.08Å; N827-Q830 PolarHBondContact O-N 2.87Å; N827-Q830 WeakPolarHBondContact OD1-CB 3.17Å; N827-Q830 VanDerWaalsContact OD1-CD 3.31Å; N827-Q830 WeakPolarHBondContact OD1-CG 3.42Å; N827-Q830 PolarHBondContact OD1-N 2.79Å; N827-I831 WeakPolarHBondContact O-CG1 3.49Å; N827-I831 PolarHBondContact O-N 3.49Å; N827-I831 VanDerWaalsContact O-N 3.12Å; N827-F965 PolarHBondContact ND2-O 3.18Å; N827-Q966 PolarHBondContact ND2-OE1 3.15Å
828	A	72.1	Confident	80.5	Confident	51 Å²	51	33.9 Å²	33.9	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-34.7	-178.1	0	0	0	0	0	113	I831 L832	A828-I831 PolarHBondContact O-N 2.83Å; A828-L832 WeakPolarHBondContact O-CB 3.41Å; A828-L832 PolarHBondContact O-N 2.92Å
829	M	73.6	Confident	80.7	Confident	38 Å²	38	33.8 Å²	33.8	19%	0.187	20%	0.196	C	C	.	.	H	α-helix	trans	-69.2	-38.6	179.3	-68.1	-59.4	-66.1	0	0	112.6	N827 L832 F833 V964 F965	N827-M829 VanDerWaalsContact C-N 3.26Å; N827-M829 PolarHBondContact O-N 2.98Å; N827-M829 PolarHBondContact OD1-N 2.87Å; M829-L832 PolarHBondContact O-N 3.48Å; M829-F833 WeakPolarHBondContact O-CB 3.46Å; M829-F833 PolarHBondContact O-N 3.34Å; M829-V964 HydrophobicContact CE-CG1 4.13Å; M829-F965 HydrophobicContact CB-CD1 4.22Å; M829-F965 HydrophobicContact CE-CE1 4.42Å
830	Q	84.1	Confident	80.7	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-41.9	175.2	-74.5	162.8	-0.2	0	0	110.7	N827 L832 F833 I834 F909 F965	N827-Q830 VanDerWaalsContact N-OE1 3.08Å; N827-Q830 PolarHBondContact O-N 2.87Å; N827-Q830 WeakPolarHBondContact OD1-CB 3.17Å; N827-Q830 VanDerWaalsContact OD1-CD 3.31Å; N827-Q830 WeakPolarHBondContact OD1-CG 3.42Å; N827-Q830 PolarHBondContact OD1-N 2.79Å; Q830-L832 VanDerWaalsContact C-N 3.35Å; Q830-F833 WeakPolarHBondContact O-CB 3.43Å; Q830-F833 PolarHBondContact O-N 3.03Å; Q830-I834 VanDerWaalsContact O-CG1 3.31Å; Q830-I834 WeakPolarHBondContact O-CG1 3.33Å; Q830-I834 PolarHBondContact O-N 3.34Å; Q830-F909 HydrophobicContact CB-CD2 3.64Å; Q830-F909 HydrophobicContact CB-CE2 3.81Å; Q830-F909 HydrophobicContact CB-CG 4.3Å; Q830-F909 HydrophobicContact CG-CB 4.43Å; Q830-F909 HydrophobicContact CG-CD1 4.32Å; Q830-F909 HydrophobicContact CG-CD2 3.75Å; Q830-F909 HydrophobicContact CG-CE2 4Å; Q830-F909 HydrophobicContact CG-CG 3.91Å; Q830-F909 HydrophobicContact CG-CZ 4.39Å; Q830-F965 PolarHBondContact NE2-O 3.13Å
831	I	81.3	Confident	80.7	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-44.1	174.7	-64.9	165.4	0	0	0	110.6	A318 I814 L826 N827 A828 F833 I834 N835	A318-I831 HydrophobicContact CB-CG2 3.91Å; I814-I831 HydrophobicContact CD1-CD1 3.55Å; L826-I831 HydrophobicContact CB-CD1 4.38Å; L826-I831 HydrophobicContact CB-CG1 4.05Å; N827-I831 WeakPolarHBondContact O-CG1 3.49Å; N827-I831 PolarHBondContact O-N 3.49Å; N827-I831 VanDerWaalsContact O-N 3.12Å; A828-I831 PolarHBondContact O-N 2.83Å; I831-F833 VanDerWaalsContact C-N 3.31Å; I831-F833 PolarHBondContact O-N 2.87Å; I831-I834 PolarHBondContact O-N 2.82Å; I831-N835 PolarHBondContact O-N 3.15Å
832	L	75.4	Confident	81.1	Confident	21 Å²	21	23.6 Å²	23.6	11%	0.11	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-42.1	176.8	-172.7	70.5	0	0	0	111.6	A97 A828 M829 Q830 I834 N835 I836	A97-L832 HydrophobicContact CB-CD2 3.74Å; A828-L832 WeakPolarHBondContact O-CB 3.41Å; A828-L832 PolarHBondContact O-N 2.92Å; M829-L832 PolarHBondContact O-N 3.48Å; Q830-L832 VanDerWaalsContact C-N 3.35Å; L832-I834 VanDerWaalsContact C-N 3.33Å; L832-I834 PolarHBondContact O-N 3.36Å; L832-N835 PolarHBondContact O-N 2.84Å; L832-I836 HydrophobicContact CD1-CD1 3.49Å; L832-I836 VanDerWaalsContact CD1-CD1 3.49Å; L832-I836 HydrophobicContact CD1-CG1 4.15Å; L832-I836 HydrophobicContact CG-CD1 4Å; L832-I836 WeakPolarHBondContact O-CB 3.41Å; L832-I836 PolarHBondContact O-N 2.73Å
833	F	84.4	Confident	81.6	Confident	16 Å²	16	22.3 Å²	22.3	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-41.1	176.2	-175.2	-94.4	0	0	0	112.2	M829 Q830 I831 L837 M838 F909 Q952 V955 F965	M829-F833 WeakPolarHBondContact O-CB 3.46Å; M829-F833 PolarHBondContact O-N 3.34Å; Q830-F833 WeakPolarHBondContact O-CB 3.43Å; Q830-F833 PolarHBondContact O-N 3.03Å; I831-F833 VanDerWaalsContact C-N 3.31Å; I831-F833 PolarHBondContact O-N 2.87Å; F833-L837 HydrophobicContact CD2-CB 4.34Å; F833-L837 HydrophobicContact CD2-CD2 4.06Å; F833-L837 HydrophobicContact CE2-CB 4.33Å; F833-L837 HydrophobicContact CE2-CD2 3.31Å; F833-L837 HydrophobicContact CE2-CG 4.42Å; F833-L837 HydrophobicContact CZ-CD2 3.67Å; F833-L837 WeakPolarHBondContact O-CB 3.33Å; F833-L837 PolarHBondContact O-N 3.4Å; F833-M838 HydrophobicContact CD1-CE 4.18Å; F833-M838 HydrophobicContact CD1-CG 3.85Å; F833-M838 HydrophobicContact CE1-CE 3.13Å; F833-M838 HydrophobicContact CE1-CG 3.65Å; F833-M838 HydrophobicContact CE1-SD 4.04Å; F833-M838 HydrophobicContact CE2-CE 4.29Å; F833-M838 HydrophobicContact CZ-CE 3.21Å; F833-M838 PolarHBondContact O-N 3.42Å; F833-M838 VanDerWaalsContact O-N 3.15Å; F833-F909 AromaticContact CD1-CE2 3.99Å; F833-F909 HydrophobicContact CD1-CE2 3.99Å; F833-F909 AromaticContact CD1-CZ 3.52Å; F833-F909 HydrophobicContact CD1-CZ 3.52Å; F833-F909 AromaticContact CE1-CZ 3.89Å; F833-F909 HydrophobicContact CE1-CZ 3.89Å; F833-F909 HydrophobicContact CG-CZ 4.27Å; F833-Q952 VanDerWaalsContact CE1-OE1 3.26Å; F833-V955 HydrophobicContact CD2-CG2 4.34Å; F833-V955 HydrophobicContact CE1-CG2 4.37Å; F833-V955 HydrophobicContact CE2-CG2 3.5Å; F833-V955 HydrophobicContact CZ-CB 4.4Å; F833-V955 HydrophobicContact CZ-CG2 3.5Å; F833-F965 HydrophobicContact CB-CD1 4.3Å; F833-F965 HydrophobicContact CB-CE1 3.82Å; F833-F965 HydrophobicContact CD2-CD1 4.48Å; F833-F965 AromaticContact CD2-CE1 3.78Å; F833-F965 HydrophobicContact CD2-CE1 3.78Å; F833-F965 HydrophobicContact CD2-CE2 4.36Å; F833-F965 AromaticContact CD2-CZ 3.7Å; F833-F965 HydrophobicContact CD2-CZ 3.7Å; F833-F965 HydrophobicContact CE2-CZ 4.36Å; F833-F965 HydrophobicContact CG-CE1 4.15Å
834	I	86.8	Confident	82	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.015	13%	0.13	C	C	.	.	I	π-helix	trans	-60.7	-57.4	175.2	-69	160.6	0	0	0	110.1	T806 L826 Q830 I831 L832 I836 M838 D839 F909 F912 V913	T806-I834 HydrophobicContact CG2-CG2 3.86Å; L826-I834 HydrophobicContact CD1-CD1 4.28Å; Q830-I834 VanDerWaalsContact O-CG1 3.31Å; Q830-I834 WeakPolarHBondContact O-CG1 3.33Å; Q830-I834 PolarHBondContact O-N 3.34Å; I831-I834 PolarHBondContact O-N 2.82Å; L832-I834 VanDerWaalsContact C-N 3.33Å; L832-I834 PolarHBondContact O-N 3.36Å; I834-I836 VanDerWaalsContact C-N 3.34Å; I834-I836 PolarHBondContact O-N 3.42Å; I834-M838 PolarHBondContact O-N 2.73Å; I834-D839 PolarHBondContact O-N 3.04Å; I834-F909 HydrophobicContact CD1-CD2 4.16Å; I834-F909 HydrophobicContact CD1-CE2 4.18Å; I834-F909 HydrophobicContact CG1-CD2 4.49Å; I834-F909 HydrophobicContact CG1-CE2 4.03Å; I834-F912 HydrophobicContact CD1-CD1 3.67Å; I834-F912 HydrophobicContact CD1-CE1 4.11Å; I834-F912 HydrophobicContact CD1-CG 4.3Å; I834-F912 HydrophobicContact CG1-CD1 4.36Å; I834-F912 HydrophobicContact CG2-CD1 4.29Å; I834-F912 HydrophobicContact CG2-CE1 3.94Å; I834-V913 HydrophobicContact CG1-CG2 3.94Å
835	N	79.3	Confident	82.6	Confident	12 Å²	12	20 Å²	20	6%	0.064	11%	0.114	C	C	.	.	I	π-helix	trans	-65.1	-33.5	-172.3	-74.8	-2.8	0	0	0	113.9	V317 I831 L832	V317-N835 PolarHBondContact O-ND2 3.34Å; I831-N835 PolarHBondContact O-N 3.15Å; L832-N835 PolarHBondContact O-N 2.84Å
836	I	76.3	Confident	82.9	Confident	59 Å²	59	20 Å²	20	30%	0.303	11%	0.114	S	C	.	.	I	π-helix	trans	-95.8	-52.5	-174.6	-61.8	-172.7	0	0	0	111.8	V101 L832 I834 G840	V101-I836 HydrophobicContact CB-CD1 4.2Å; V101-I836 HydrophobicContact CG1-CD1 3.87Å; V101-I836 HydrophobicContact CG2-CD1 3.23Å; L832-I836 HydrophobicContact CD1-CD1 3.49Å; L832-I836 VanDerWaalsContact CD1-CD1 3.49Å; L832-I836 HydrophobicContact CD1-CG1 4.15Å; L832-I836 HydrophobicContact CG-CD1 4Å; L832-I836 WeakPolarHBondContact O-CB 3.41Å; L832-I836 PolarHBondContact O-N 2.73Å; I834-I836 VanDerWaalsContact C-N 3.34Å; I834-I836 PolarHBondContact O-N 3.42Å; I836-G840 PolarHBondContact O-N 3.07Å
837	L	79.5	Confident	83.1	Confident	79 Å²	79	20 Å²	20	41%	0.414	11%	0.114	S	C	.	.	I	π-helix	trans	-94.1	-37.3	-170.4	-165.4	71.1	0	0	0	112.9	F833 P841	F833-L837 HydrophobicContact CD2-CB 4.34Å; F833-L837 HydrophobicContact CD2-CD2 4.06Å; F833-L837 HydrophobicContact CE2-CB 4.33Å; F833-L837 HydrophobicContact CE2-CD2 3.31Å; F833-L837 HydrophobicContact CE2-CG 4.42Å; F833-L837 HydrophobicContact CZ-CD2 3.67Å; F833-L837 WeakPolarHBondContact O-CB 3.33Å; F833-L837 PolarHBondContact O-N 3.4Å; L837-P841 WeakPolarHBondContact O-CD 3.44Å; L837-P841 WeakPolarHBondContact O-CG 3.31Å
838	M	85.9	Confident	83.6	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-85.7	-36.9	-178.4	-63.5	-64.8	135.5	0	0	112.2	F833 I834 P842 V913 M917 S948 Q952	F833-M838 HydrophobicContact CD1-CE 4.18Å; F833-M838 HydrophobicContact CD1-CG 3.85Å; F833-M838 HydrophobicContact CE1-CE 3.13Å; F833-M838 HydrophobicContact CE1-CG 3.65Å; F833-M838 HydrophobicContact CE1-SD 4.04Å; F833-M838 HydrophobicContact CE2-CE 4.29Å; F833-M838 HydrophobicContact CZ-CE 3.21Å; F833-M838 PolarHBondContact O-N 3.42Å; F833-M838 VanDerWaalsContact O-N 3.15Å; I834-M838 PolarHBondContact O-N 2.73Å; M838-P842 WeakPolarHBondContact O-CD 3.49Å; M838-P842 WeakPolarHBondContact O-CG 3.42Å; M838-V913 HydrophobicContact CG-CG1 3.89Å; M838-V913 HydrophobicContact CG-CG2 4.19Å; M838-V913 HydrophobicContact SD-CG1 3.7Å; M838-M917 HydrophobicContact CB-CE 4.39Å; M838-M917 WeakPolarHBondContact O-CE 3.39Å; M838-S948 WeakPolarHBondContact CE-O 3.37Å; M838-Q952 HydrophobicContact CE-CB 4.4Å
839	D	86.2	Confident	84.3	Confident	4 Å²	4	16.9 Å²	16.9	2%	0.021	9%	0.091	C	C	.	.	S	Bend	trans	-82.9	-39.1	178.1	-82.8	-7.9	0	0	0	112.6	F802 T806 I834 A843	F802-D839 HydrophobicContact CE1-CB 4.37Å; F802-D839 WeakPolarHBondContact CZ-OD1 3.38Å; T806-D839 WeakPolarHBondContact CB-OD2 3.3Å; T806-D839 WeakPolarHBondContact CG2-OD2 3.4Å; T806-D839 PolarHBondContact OG1-OD1 3.12Å; I834-D839 PolarHBondContact O-N 3.04Å; D839-A843 WeakPolarHBondContact O-CB 3.39Å; D839-A843 PolarHBondContact O-N 3.23Å
840	G	83.8	Confident	84.6	Confident	7 Å²	7	18.2 Å²	18.2	7%	0.072	10%	0.102	C	C	.	.	H	α-helix	trans	-57	-64.5	-172.2	0	0	0	0	0	114	I836 A843 Q844	I836-G840 PolarHBondContact O-N 3.07Å; G840-A843 PolarHBondContact O-N 3.36Å; G840-Q844 WeakPolarHBondContact O-CG 3.36Å; G840-Q844 PolarHBondContact O-N 3.2Å
841	P	86.6	Confident	84.1	Confident	39 Å²	39	19.5 Å²	19.5	25%	0.253	11%	0.111	S	C	.	.	H	α-helix	trans	-61.6	-46.2	-176.7	-16.6	27.9	0	0	0	114.1	L837 A843 Q844 S845 A944	L837-P841 WeakPolarHBondContact O-CD 3.44Å; L837-P841 WeakPolarHBondContact O-CG 3.31Å; P841-A843 PolarHBondContact O-N 3.33Å; P841-Q844 PolarHBondContact O-N 3.38Å; P841-S845 PolarHBondContact O-N 3.47Å; P841-A944 HydrophobicContact CB-CB 4.26Å
842	P	89.4	Confident	83.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-41.8	173.7	-27.9	40.2	0	0	0	112.8	F802 M838 Q844 S845 L846 M917 A920 V945	F802-P842 HydrophobicContact CE1-CB 4.23Å; F802-P842 HydrophobicContact CZ-CB 4.47Å; M838-P842 WeakPolarHBondContact O-CD 3.49Å; M838-P842 WeakPolarHBondContact O-CG 3.42Å; P842-Q844 PolarHBondContact O-N 3.35Å; P842-S845 WeakPolarHBondContact CA-OG 3.43Å; P842-S845 PolarHBondContact O-N 2.64Å; P842-S845 VanDerWaalsContact O-N 3.13Å; P842-S845 PolarHBondContact O-OG 2.85Å; P842-L846 WeakPolarHBondContact O-CG 3.39Å; P842-L846 PolarHBondContact O-N 3.43Å; P842-M917 HydrophobicContact CG-CE 4.02Å; P842-M917 HydrophobicContact CG-SD 4.2Å; P842-A920 HydrophobicContact CB-CB 4.29Å; P842-V945 HydrophobicContact CB-CG2 4.45Å; P842-V945 HydrophobicContact CG-CG2 4.46Å
843	A	89.2	Confident	83.6	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-43	175.1	0	0	0	0	0	112.1	V327 F799 F802 Q803 D839 G840 P841 S845 L846 G847	V327-A843 HydrophobicContact CG1-CB 4.16Å; V327-A843 HydrophobicContact CG2-CB 4.01Å; F799-A843 HydrophobicContact CB-CB 4.14Å; F799-A843 VanDerWaalsContact CB-O 3.31Å; F799-A843 WeakPolarHBondContact CB-O 3.4Å; F799-A843 HydrophobicContact CD2-CB 4.31Å; F802-A843 HydrophobicContact CD1-CB 4.1Å; F802-A843 HydrophobicContact CE1-CB 4.27Å; Q803-A843 HydrophobicContact CG-CB 3.97Å; D839-A843 WeakPolarHBondContact O-CB 3.39Å; D839-A843 PolarHBondContact O-N 3.23Å; G840-A843 PolarHBondContact O-N 3.36Å; P841-A843 PolarHBondContact O-N 3.33Å; A843-S845 VanDerWaalsContact C-N 3.29Å; A843-S845 PolarHBondContact O-N 2.98Å; A843-L846 PolarHBondContact O-N 3.03Å; A843-G847 PolarHBondContact O-N 3.4Å
844	Q	88.2	Confident	83.1	Confident	50 Å²	50	30.4 Å²	30.4	23%	0.234	17%	0.171	C	C	.	.	H	α-helix	trans	-59.1	-41.7	173.3	-70.9	177.5	1.4	0	0	111.8	V327 G840 P841 P842 L846 G847	V327-Q844 HydrophobicContact CB-CG 4.29Å; V327-Q844 HydrophobicContact CG1-CG 4.27Å; V327-Q844 HydrophobicContact CG2-CG 3.71Å; G840-Q844 WeakPolarHBondContact O-CG 3.36Å; G840-Q844 PolarHBondContact O-N 3.2Å; P841-Q844 PolarHBondContact O-N 3.38Å; P842-Q844 PolarHBondContact O-N 3.35Å; Q844-L846 VanDerWaalsContact C-N 3.34Å; Q844-L846 PolarHBondContact O-N 3.35Å; Q844-G847 WeakPolarHBondContact O-CA 3.04Å; Q844-G847 PolarHBondContact O-N 2.77Å; Q844-G847 VanDerWaalsContact O-N 3.09Å
845	S	90.1	Very high	82.9	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-69.8	-29.4	-179.7	77.9	0	0	0	0	113.9	P841 P842 A843 G847 V848 N938 F941	P841-S845 PolarHBondContact O-N 3.47Å; P842-S845 WeakPolarHBondContact CA-OG 3.43Å; P842-S845 PolarHBondContact O-N 2.64Å; P842-S845 VanDerWaalsContact O-N 3.13Å; P842-S845 PolarHBondContact O-OG 2.85Å; A843-S845 VanDerWaalsContact C-N 3.29Å; A843-S845 PolarHBondContact O-N 2.98Å; S845-G847 VanDerWaalsContact C-N 3.28Å; S845-V848 WeakPolarHBondContact O-CG2 3.43Å; S845-V848 PolarHBondContact O-N 2.98Å; S845-N938 PolarHBondContact O-ND2 2.71Å; S845-F941 WeakPolarHBondContact OG-CA 3.32Å; S845-F941 VanDerWaalsContact OG-CD2 3.23Å; S845-F941 WeakPolarHBondContact OG-CD2 3.01Å
846	L	89.9	Confident	82.8	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-69	-28.4	170	-70.9	172.5	0	0	0	111.8	F799 F802 P842 A843 Q844 V848 F923 R924 F941	F799-L846 HydrophobicContact CB-CB 3.82Å; F799-L846 HydrophobicContact CB-CD1 4.34Å; F802-L846 HydrophobicContact CB-CD1 3.91Å; F802-L846 HydrophobicContact CD1-CD1 4.11Å; F802-L846 HydrophobicContact CG-CD1 4.09Å; P842-L846 WeakPolarHBondContact O-CG 3.39Å; P842-L846 PolarHBondContact O-N 3.43Å; A843-L846 PolarHBondContact O-N 3.03Å; Q844-L846 VanDerWaalsContact C-N 3.34Å; Q844-L846 PolarHBondContact O-N 3.35Å; L846-V848 PolarHBondContact O-N 3.2Å; L846-F923 HydrophobicContact CD1-CB 4.38Å; L846-R924 HydrophobicContact CD2-CB 4.3Å; L846-R924 HydrophobicContact CD2-CG 3.63Å; L846-F941 HydrophobicContact CD2-CD2 3.92Å; L846-F941 HydrophobicContact CD2-CE2 3.79Å; L846-F941 HydrophobicContact CG-CD2 4.21Å; L846-F941 HydrophobicContact CG-CE2 4.13Å
847	G	86.7	Confident	83.1	Confident	2 Å²	2	36.9 Å²	36.9	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-25.7	172.8	0	0	0	0	0	114.3	T331 N795 A843 Q844 S845	T331-G847 VanDerWaalsContact CG2-O 3.31Å; T331-G847 WeakPolarHBondContact CG2-O 2.95Å; T331-G847 WeakPolarHBondContact OG1-CA 3.12Å; N795-G847 WeakPolarHBondContact CB-O 3.43Å; N795-G847 PolarHBondContact ND2-O 3.45Å; A843-G847 PolarHBondContact O-N 3.4Å; Q844-G847 WeakPolarHBondContact O-CA 3.04Å; Q844-G847 PolarHBondContact O-N 2.77Å; Q844-G847 VanDerWaalsContact O-N 3.09Å; S845-G847 VanDerWaalsContact C-N 3.28Å
848	V	86.2	Confident	83.3	Confident	13 Å²	13	37.9 Å²	37.9	8%	0.079	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	17.3	-174.9	-85	0	0	0	0	115.5	I334 R338 S845 L846 L940	I334-V848 HydrophobicContact CB-CG1 3.86Å; I334-V848 HydrophobicContact CD1-CG1 3.37Å; I334-V848 HydrophobicContact CG1-CG1 4.17Å; I334-V848 HydrophobicContact CG2-CG1 3.43Å; I334-V848 VanDerWaalsContact CG2-CG1 3.43Å; R338-V848 PolarHBondContact NH2-O 2.52Å; S845-V848 WeakPolarHBondContact O-CG2 3.43Å; S845-V848 PolarHBondContact O-N 2.98Å; L846-V848 PolarHBondContact O-N 3.2Å; V848-L940 HydrophobicContact CG2-CB 4.32Å; V848-L940 HydrophobicContact CG2-CD2 3.56Å
849	E	86.7	Confident	83.4	Confident	7 Å²	7	42.7 Å²	42.7	3%	0.033	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-57.7	139.1	173.3	-152.7	63.2	-156.2	0	0	110.6	R338 N795 R924 N938	R338-E849 PolarHBondContact NH1-O 3.11Å; N795-E849 PolarHBondContact ND2-N 2.9Å; N795-E849 PolarHBondContact ND2-O 2.83Å; E849-R924 IonicContact OE1-CZ 3.6Å; E849-R924 IonicContact OE1-NE 2.79Å; E849-R924 PolarHBondContact OE1-NE 3.43Å; E849-R924 IonicContact OE1-NH2 3.84Å; E849-R924 PolarHBondContact OE1-NH2 3.37Å; E849-R924 IonicContact OE2-NE 3.78Å; E849-R924 IonicContact OE2-NH2 3.73Å; E849-N938 WeakPolarHBondContact OE2-CB 3.32Å; E849-N938 PolarHBondContact OE2-ND2 2.87Å
850	P	80.3	Confident	83.5	Confident	66 Å²	66	43.7 Å²	43.7	43%	0.429	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-66.9	147.7	-177.6	24.4	-33.8	0	0	0	112.5
851	P	74	Confident	83.6	Confident	28 Å²	28	45 Å²	45	18%	0.182	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.5	143.4	174.2	6.2	-5.8	0	0	0	111.7	E787 A791	E787-P851 HydrophobicContact CG-CB 4.29Å; A791-P851 HydrophobicContact CB-CB 3.68Å; A791-P851 HydrophobicContact CB-CG 4.45Å
852	D	75.6	Confident	83.4	Confident	42 Å²	42	52.4 Å²	52.4	23%	0.225	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-78.4	123.6	168	-177.8	-16.5	0	0	0	109	H854 V855 K928	D852-H854 PolarHBondContact O-N 3.02Å; D852-H854 IonicContact OD1-CD2 2.79Å; D852-H854 PolarHBondContact OD1-N 3.27Å; D852-H854 VanDerWaalsContact OD1-N 3.14Å; D852-V855 HydrophobicContact CB-CG2 3.89Å; D852-V855 VanDerWaalsContact O-CB 3.24Å; D852-V855 WeakPolarHBondContact O-CB 3.39Å; D852-V855 PolarHBondContact O-N 3.47Å; D852-K928 IonicContact OD1-NZ 3.6Å; D852-K928 WeakPolarHBondContact OD2-CE 3.46Å; D852-K928 IonicContact OD2-NZ 3.21Å; D852-K928 PolarHBondContact OD2-NZ 2.98Å
853	P	69.6	Low	82.8	Confident	96 Å²	96	53.7 Å²	53.7	62%	0.623	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.8	-177.2	-25.3	32.6	0	0	0	114.5	V855	P853-V855 VanDerWaalsContact C-N 3.34Å
854	H	75.5	Confident	82.3	Confident	130 Å²	130	60.7 Å²	60.7	60%	0.602	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.7	-179.8	-65.4	-69.3	0	0	0	114.1	D852 V856 R857	D852-H854 PolarHBondContact O-N 3.02Å; D852-H854 IonicContact OD1-CD2 2.79Å; D852-H854 PolarHBondContact OD1-N 3.27Å; D852-H854 VanDerWaalsContact OD1-N 3.14Å; H854-V856 VanDerWaalsContact C-N 3.32Å; H854-V856 PolarHBondContact O-N 3.29Å; H854-R857 PolarHBondContact O-N 2.97Å
855	V	81	Confident	81.7	Confident	17 Å²	17	61 Å²	61	10%	0.103	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-65.2	-32	-178.1	152.6	0	0	0	0	113	K790 D852 P853 R857 Q858	K790-V855 HydrophobicContact CB-CG1 3.22Å; K790-V855 HydrophobicContact CD-CG1 3.63Å; K790-V855 WeakPolarHBondContact CD-O 3.12Å; K790-V855 HydrophobicContact CG-CG1 4.04Å; K790-V855 PolarHBondContact NZ-O 2.92Å; D852-V855 HydrophobicContact CB-CG2 3.89Å; D852-V855 VanDerWaalsContact O-CB 3.24Å; D852-V855 WeakPolarHBondContact O-CB 3.39Å; D852-V855 PolarHBondContact O-N 3.47Å; P853-V855 VanDerWaalsContact C-N 3.34Å; V855-R857 VanDerWaalsContact C-N 3.26Å; V855-R857 PolarHBondContact O-N 3.48Å; V855-Q858 PolarHBondContact O-N 2.8Å; V855-Q858 VanDerWaalsContact O-N 3.13Å
856	V	78.5	Confident	80.9	Confident	24 Å²	24	63.4 Å²	63.4	15%	0.145	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-55.8	-41.6	178.9	144.3	0	0	0	0	112.2	I655 S659 E787 K790 H854 Q858	I655-V856 HydrophobicContact CG2-CG1 3.58Å; S659-V856 WeakPolarHBondContact CB-O 3.29Å; E787-V856 HydrophobicContact CB-CG2 3.58Å; E787-V856 HydrophobicContact CG-CG2 3.92Å; K790-V856 PolarHBondContact NZ-O 2.94Å; H854-V856 VanDerWaalsContact C-N 3.32Å; H854-V856 PolarHBondContact O-N 3.29Å; V856-Q858 VanDerWaalsContact C-N 3.31Å; V856-Q858 PolarHBondContact O-N 3.31Å
857	R	82.4	Confident	80.4	Confident	169 Å²	169	63.6 Å²	63.6	64%	0.638	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-80.2	-9.2	-176.4	-64.8	-173	-178.6	-179.3	-0.4	114	H854 V855	H854-R857 PolarHBondContact O-N 2.97Å; V855-R857 VanDerWaalsContact C-N 3.26Å; V855-R857 PolarHBondContact O-N 3.48Å
858	Q	84.1	Confident	80.1	Confident	99 Å²	99	65.7 Å²	65.7	46%	0.463	34%	0.34	S	S	.	.	S	Bend	trans	-73.1	145.7	177	-65.7	-178.7	8.7	0	0	110.5	K790 V855 V856	K790-Q858 PolarHBondContact NZ-O 2.97Å; V855-Q858 PolarHBondContact O-N 2.8Å; V855-Q858 VanDerWaalsContact O-N 3.13Å; V856-Q858 VanDerWaalsContact C-N 3.31Å; V856-Q858 PolarHBondContact O-N 3.31Å
859	P	87.8	Confident	80	Confident	101 Å²	101	67.6 Å²	67.6	66%	0.656	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-59.9	148.5	176.8	25.2	-33.4	0	0	0	112.5	S659	S659-P859 VanDerWaalsContact O-CA 3.25Å; S659-P859 WeakPolarHBondContact O-CA 3.44Å
860	P	87.3	Confident	79.9	Confident	26 Å²	26	70.2 Å²	70.2	17%	0.169	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60	140.8	174.6	25.9	-33.8	0	0	0	110.1	V358 N359 S659 V661	V358-P860 VanDerWaalsContact O-CB 3.24Å; V358-P860 WeakPolarHBondContact O-CB 3.34Å; N359-P860 HydrophobicContact CB-CG 4.24Å; S659-P860 WeakPolarHBondContact O-CD 3.34Å; V661-P860 HydrophobicContact CG2-CG 4.11Å
861	R	86.1	Confident	80.2	Confident	34 Å²	34	70.4 Å²	70.4	13%	0.128	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-65.5	157.4	174.2	71.6	178	-166	77.9	1.5	110.3	E353 C357 F793 A863	E353-R861 IonicContact OE1-CZ 3.02Å; E353-R861 VanDerWaalsContact OE1-CZ 3.22Å; E353-R861 IonicContact OE1-NE 2.76Å; E353-R861 PolarHBondContact OE1-NE 3.03Å; E353-R861 IonicContact OE1-NH2 3.38Å; E353-R861 PolarHBondContact OE1-NH2 3.47Å; E353-R861 IonicContact OE2-NH2 2.66Å; E353-R861 PolarHBondContact OE2-NH2 2.9Å; C357-R861 HydrophobicContact CB-CG 4.22Å; C357-R861 PolarHBondContact SG-NE 3.34Å; C357-R861 PolarHBondContact SG-NH2 2.99Å; F793-R861 VanDerWaalsContact CE1-CD 3.49Å; F793-R861 VanDerWaalsContact CE2-CZ 3.48Å; R861-A863 PolarHBondContact NH1-O 3.4Å
862	R	83.2	Confident	80.8	Confident	194 Å²	194	69.1 Å²	69.1	73%	0.732	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-73.5	138.8	171	-57	175.4	174.2	177.4	-1.9	108	N864 D865	R862-N864 PolarHBondContact O-N 2.94Å; R862-D865 PolarHBondContact N-OD2 2.87Å; R862-D865 VanDerWaalsContact O-CB 3.31Å; R862-D865 WeakPolarHBondContact O-CB 3.36Å; R862-D865 PolarHBondContact O-N 2.9Å
863	A	77	Confident	81.5	Confident	28 Å²	28	69.7 Å²	69.7	23%	0.231	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.3	-179.2	0	0	0	0	0	112.6	V735 R861 D865	V735-A863 HydrophobicContact CG2-CB 3.56Å; R861-A863 PolarHBondContact NH1-O 3.4Å; A863-D865 VanDerWaalsContact C-N 3.32Å
864	N	77.2	Confident	82.5	Confident	146 Å²	146	71.1 Å²	71.1	78%	0.781	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	1.1	179.4	-72.1	-12.7	0	0	0	114.1	R862 S866	R862-N864 PolarHBondContact O-N 2.94Å; N864-S866 PolarHBondContact O-N 3.08Å
865	D	75.8	Confident	83.3	Confident	58 Å²	58	65.4 Å²	65.4	31%	0.31	34%	0.335	S	S	.	.			trans	-62.5	123.1	173.5	-72.8	-20.7	0	0	0	108.8	R862 A863	R862-D865 PolarHBondContact N-OD2 2.87Å; R862-D865 VanDerWaalsContact O-CB 3.31Å; R862-D865 WeakPolarHBondContact O-CB 3.36Å; R862-D865 PolarHBondContact O-N 2.9Å; A863-D865 VanDerWaalsContact C-N 3.32Å
866	S	74.3	Confident	83.8	Confident	51 Å²	51	64.6 Å²	64.6	36%	0.357	33%	0.33	S	S	.	.			trans	-62.6	149.6	178.6	48.5	0	0	0	0	111.2	K797 N864 L868 D869	K797-S866 WeakPolarHBondContact CE-O 3.29Å; K797-S866 PolarHBondContact NZ-O 2.81Å; K797-S866 VanDerWaalsContact NZ-O 3.09Å; N864-S866 PolarHBondContact O-N 3.08Å; S866-L868 PolarHBondContact OG-O 3.04Å; S866-L868 VanDerWaalsContact OG-O 3.12Å; S866-D869 PolarHBondContact OG-OD1 3.28Å
867	I	79.7	Confident	84.5	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.026	35%	0.346	C	S	.	.	S	Bend	trans	-67.4	-33.2	167	-68.1	173.3	0	0	0	109.9	L272 M276 F793 K797 I800 D869 L872	L272-I867 HydrophobicContact CD1-CD1 3.72Å; M276-I867 HydrophobicContact CE-CD1 3.28Å; M276-I867 HydrophobicContact CE-CG1 4.49Å; M276-I867 HydrophobicContact CE-CG2 4.37Å; F793-I867 HydrophobicContact CE2-CD1 4.48Å; F793-I867 HydrophobicContact CE2-CG1 3.81Å; F793-I867 HydrophobicContact CZ-CG1 4.2Å; K797-I867 WeakPolarHBondContact CE-O 3.38Å; K797-I867 HydrophobicContact CG-CG2 4.16Å; I800-I867 HydrophobicContact CD1-CG2 3.74Å; I800-I867 HydrophobicContact CG2-CG2 4.25Å; I867-D869 PolarHBondContact O-N 3.27Å; I867-L872 WeakPolarHBondContact O-CD2 3.31Å
868	L	80.3	Confident	85	Confident	45 Å²	45	61.7 Å²	61.7	24%	0.236	33%	0.328	C	S	.	.	S	Bend	trans	-94.4	79.5	172.1	-68.2	175	0	0	0	112.2	L279 L804 S866 L872 M873	L279-L868 HydrophobicContact CD1-CD1 3.19Å; L279-L868 HydrophobicContact CD1-CG 3.91Å; L804-L868 HydrophobicContact CD1-CD1 4.02Å; L804-L868 HydrophobicContact CD1-CD2 3.3Å; L804-L868 HydrophobicContact CD1-CG 4.14Å; S866-L868 PolarHBondContact OG-O 3.04Å; S866-L868 VanDerWaalsContact OG-O 3.12Å; L868-L872 HydrophobicContact CD2-CD2 4.02Å; L868-L872 HydrophobicContact CD2-CG 4.41Å; L868-M873 HydrophobicContact CB-CG 4.18Å; L868-M873 HydrophobicContact CB-SD 4.41Å; L868-M873 HydrophobicContact CD1-SD 4.07Å; L868-M873 HydrophobicContact CD2-CG 4.46Å; L868-M873 HydrophobicContact CD2-SD 3.89Å; L868-M873 HydrophobicContact CG-SD 4.37Å
869	D	83.6	Confident	85.5	Confident	54 Å²	54	57.4 Å²	57.4	29%	0.289	31%	0.309	S	S	.	.			trans	-67.1	151.7	168.7	-61.5	-24.5	0	0	0	110.3	K797 S866 I867 R871 L872 M873	K797-D869 VanDerWaalsContact NZ-CG 3.26Å; K797-D869 IonicContact NZ-OD1 2.85Å; K797-D869 PolarHBondContact NZ-OD1 2.78Å; K797-D869 IonicContact NZ-OD2 2.61Å; K797-D869 PolarHBondContact NZ-OD2 3.27Å; S866-D869 PolarHBondContact OG-OD1 3.28Å; I867-D869 PolarHBondContact O-N 3.27Å; D869-R871 PolarHBondContact O-N 2.87Å; D869-L872 WeakPolarHBondContact O-CA 3.41Å; D869-L872 PolarHBondContact O-N 3.18Å; D869-M873 PolarHBondContact O-N 3.06Å
870	G	84.9	Confident	85.8	Confident	62 Å²	62	52.9 Å²	52.9	64%	0.639	28%	0.28	S	S	*	.	H	α-helix	trans	-53.4	-29.3	176.4	0	0	0	0	0	113.2	F874	G870-F874 WeakPolarHBondContact O-CB 3.37Å; G870-F874 PolarHBondContact O-N 2.82Å
871	R	85.7	Confident	86.2	Confident	69 Å²	69	55.4 Å²	55.4	26%	0.26	30%	0.299	S	S	.	.	H	α-helix	trans	-66.9	-45.8	172.6	-176.8	-176.7	177.2	164.3	5.3	112.8	D869 M873 F874 N875 Q926 N927 R996	D869-R871 PolarHBondContact O-N 2.87Å; R871-M873 VanDerWaalsContact C-N 3.35Å; R871-F874 PolarHBondContact O-N 2.86Å; R871-N875 VanDerWaalsContact O-CG 3.29Å; R871-N875 PolarHBondContact O-N 3.41Å; R871-N875 PolarHBondContact O-OD1 3.14Å; R871-Q926 PolarHBondContact NH2-O 3.38Å; R871-N927 PolarHBondContact NH1-OD1 3.32Å; R871-N927 PolarHBondContact NH2-OD1 3.33Å; R871-R996 VanDerWaalsContact NE-CZ 3.28Å; R871-R996 VanDerWaalsContact NH2-CZ 3.32Å
872	L	87.8	Confident	86.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-43.7	177.9	-176.7	57.5	0	0	0	109.8	K797 I867 L868 D869 F874 N875 V876 F923	K797-L872 HydrophobicContact CB-CD2 4.38Å; I867-L872 WeakPolarHBondContact O-CD2 3.31Å; L868-L872 HydrophobicContact CD2-CD2 4.02Å; L868-L872 HydrophobicContact CD2-CG 4.41Å; D869-L872 WeakPolarHBondContact O-CA 3.41Å; D869-L872 PolarHBondContact O-N 3.18Å; L872-F874 PolarHBondContact O-N 2.8Å; L872-N875 WeakPolarHBondContact O-CA 3.43Å; L872-N875 WeakPolarHBondContact O-CB 3.37Å; L872-N875 PolarHBondContact O-N 3.33Å; L872-V876 HydrophobicContact CD1-CG2 4.36Å; L872-V876 HydrophobicContact CG-CG2 4.35Å; L872-V876 WeakPolarHBondContact O-CB 3.41Å; L872-V876 VanDerWaalsContact O-CG2 3.26Å; L872-V876 WeakPolarHBondContact O-CG2 3.4Å; L872-V876 PolarHBondContact O-N 3.24Å; L872-F923 HydrophobicContact CD1-CE1 3.86Å
873	M	90.1	Very high	87.2	Confident	54 Å²	54	46.4 Å²	46.4	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-44.2	175.4	-80.1	-56.3	-52.7	0	0	112.7	L868 D869 R871 N875 V876 L877	L868-M873 HydrophobicContact CB-CG 4.18Å; L868-M873 HydrophobicContact CB-SD 4.41Å; L868-M873 HydrophobicContact CD1-SD 4.07Å; L868-M873 HydrophobicContact CD2-CG 4.46Å; L868-M873 HydrophobicContact CD2-SD 3.89Å; L868-M873 HydrophobicContact CG-SD 4.37Å; D869-M873 PolarHBondContact O-N 3.06Å; R871-M873 VanDerWaalsContact C-N 3.35Å; M873-N875 PolarHBondContact O-N 3.4Å; M873-V876 PolarHBondContact O-N 3.32Å; M873-L877 HydrophobicContact CE-CD1 4.36Å; M873-L877 HydrophobicContact CE-CG 4.23Å; M873-L877 WeakPolarHBondContact O-CB 3.36Å; M873-L877 VanDerWaalsContact O-CG 3.27Å; M873-L877 WeakPolarHBondContact O-CG 3.34Å; M873-L877 PolarHBondContact O-N 2.84Å
874	F	91.4	Very high	88	Confident	126 Å²	126	45.5 Å²	45.5	55%	0.553	26%	0.259	S	S	*	.	H	α-helix	trans	-57.4	-43	173.1	-177.4	-100.1	0	0	0	111	G870 R871 L872 L877 T878	G870-F874 WeakPolarHBondContact O-CB 3.37Å; G870-F874 PolarHBondContact O-N 2.82Å; R871-F874 PolarHBondContact O-N 2.86Å; L872-F874 PolarHBondContact O-N 2.8Å; F874-L877 PolarHBondContact O-N 3.1Å; F874-T878 PolarHBondContact O-N 3.46Å; F874-T878 PolarHBondContact O-OG1 3.29Å
875	N	90.8	Very high	88.9	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.053	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-45.4	179	-69.8	-9.5	0	0	0	113.1	R871 L872 M873 T878 A879 R992	R871-N875 VanDerWaalsContact O-CG 3.29Å; R871-N875 PolarHBondContact O-N 3.41Å; R871-N875 PolarHBondContact O-OD1 3.14Å; L872-N875 WeakPolarHBondContact O-CA 3.43Å; L872-N875 WeakPolarHBondContact O-CB 3.37Å; L872-N875 PolarHBondContact O-N 3.33Å; M873-N875 PolarHBondContact O-N 3.4Å; N875-T878 PolarHBondContact O-N 2.94Å; N875-A879 PolarHBondContact O-N 3.23Å; N875-R992 VanDerWaalsContact CA-NH1 3.32Å; N875-R992 PolarHBondContact OD1-NE 3.45Å; N875-R992 PolarHBondContact OD1-NH1 3.45Å; N875-R992 PolarHBondContact OD1-NH2 2.94Å
876	V	92.4	Very high	89.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-45.9	177	167	0	0	0	0	111.3	G801 L804 I808 L872 M873 A879 S880 F923	G801-V876 WeakPolarHBondContact O-CG2 3.49Å; L804-V876 HydrophobicContact CB-CG1 4.1Å; L804-V876 HydrophobicContact CB-CG2 4.43Å; I808-V876 HydrophobicContact CD1-CG1 3.64Å; L872-V876 HydrophobicContact CD1-CG2 4.36Å; L872-V876 HydrophobicContact CG-CG2 4.35Å; L872-V876 WeakPolarHBondContact O-CB 3.41Å; L872-V876 VanDerWaalsContact O-CG2 3.26Å; L872-V876 WeakPolarHBondContact O-CG2 3.4Å; L872-V876 PolarHBondContact O-N 3.24Å; M873-V876 PolarHBondContact O-N 3.32Å; V876-A879 PolarHBondContact O-N 3.48Å; V876-S880 WeakPolarHBondContact O-CB 3.3Å; V876-S880 PolarHBondContact O-N 3Å; V876-S880 PolarHBondContact O-OG 3.4Å; V876-F923 HydrophobicContact CG2-CZ 4.11Å
877	L	93.4	Very high	90.7	Very high	91 Å²	91	36.8 Å²	36.8	48%	0.476	22%	0.215	S	C	.	.	H	α-helix	trans	-66.1	-39.2	178.2	-70.5	172.4	0	0	0	112.1	M873 F874 S880 S881	M873-L877 HydrophobicContact CE-CD1 4.36Å; M873-L877 HydrophobicContact CE-CG 4.23Å; M873-L877 WeakPolarHBondContact O-CB 3.36Å; M873-L877 VanDerWaalsContact O-CG 3.27Å; M873-L877 WeakPolarHBondContact O-CG 3.34Å; M873-L877 PolarHBondContact O-N 2.84Å; F874-L877 PolarHBondContact O-N 3.1Å; L877-S880 WeakPolarHBondContact CA-OG 3.06Å; L877-S880 PolarHBondContact O-OG 3.41Å; L877-S881 VanDerWaalsContact O-CB 3.27Å; L877-S881 WeakPolarHBondContact O-CB 3.41Å; L877-S881 PolarHBondContact O-N 3.46Å
878	T	93.2	Very high	91.2	Very high	41 Å²	41	37.7 Å²	37.7	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-44.7	176.6	-36	0	0	0	0	110.8	F874 N875 L882 R992	F874-T878 PolarHBondContact O-N 3.46Å; F874-T878 PolarHBondContact O-OG1 3.29Å; N875-T878 PolarHBondContact O-N 2.94Å; T878-L882 PolarHBondContact O-N 3.4Å; T878-R992 PolarHBondContact OG1-NH1 3.24Å; T878-R992 VanDerWaalsContact OG1-NH1 3.1Å
879	A	94.3	Very high	91.8	Very high	9 Å²	9	42 Å²	42	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-52.5	179.4	0	0	0	0	0	111	N875 V876 S881 L882 I883 F923	N875-A879 PolarHBondContact O-N 3.23Å; V876-A879 PolarHBondContact O-N 3.48Å; A879-S881 VanDerWaalsContact C-N 3.33Å; A879-S881 PolarHBondContact O-N 3.24Å; A879-L882 WeakPolarHBondContact O-CB 3Å; A879-L882 PolarHBondContact O-N 2.97Å; A879-I883 VanDerWaalsContact O-CG1 3.3Å; A879-I883 WeakPolarHBondContact O-CG1 2.95Å; A879-I883 PolarHBondContact O-N 3.29Å; A879-F923 HydrophobicContact CB-CE2 4.48Å
880	S	94.1	Very high	92.3	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-40.4	179.3	52.1	0	0	0	0	112.8	V876 L877 L882 I883 V884	V876-S880 WeakPolarHBondContact O-CB 3.3Å; V876-S880 PolarHBondContact O-N 3Å; V876-S880 PolarHBondContact O-OG 3.4Å; L877-S880 WeakPolarHBondContact CA-OG 3.06Å; L877-S880 PolarHBondContact O-OG 3.41Å; S880-L882 VanDerWaalsContact C-N 3.32Å; S880-L882 PolarHBondContact O-N 2.91Å; S880-I883 PolarHBondContact O-N 3.16Å; S880-V884 WeakPolarHBondContact O-CB 3.35Å; S880-V884 VanDerWaalsContact O-CG2 3.23Å; S880-V884 WeakPolarHBondContact O-CG2 3.35Å; S880-V884 PolarHBondContact O-N 2.91Å
881	S	94.9	Very high	92.5	Very high	80 Å²	80	36.5 Å²	36.5	56%	0.559	19%	0.188	S	C	*	.	H	α-helix	trans	-60.4	-40.9	175	-176	0	0	0	0	112.4	L877 A879 S885	L877-S881 VanDerWaalsContact O-CB 3.27Å; L877-S881 WeakPolarHBondContact O-CB 3.41Å; L877-S881 PolarHBondContact O-N 3.46Å; A879-S881 VanDerWaalsContact C-N 3.33Å; A879-S881 PolarHBondContact O-N 3.24Å; S881-S885 VanDerWaalsContact O-CB 3.28Å; S881-S885 WeakPolarHBondContact O-CB 3.46Å; S881-S885 PolarHBondContact O-N 2.86Å; S881-S885 PolarHBondContact O-OG 3.21Å; S881-S885 VanDerWaalsContact O-OG 3.06Å
882	L	95.3	Very high	92.6	Very high	38 Å²	38	37.8 Å²	37.8	20%	0.199	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-47.9	176.4	-108.9	144	0	0	0	111.2	T878 A879 S880 V884 S885 G886 V985 V988	T878-L882 PolarHBondContact O-N 3.4Å; A879-L882 WeakPolarHBondContact O-CB 3Å; A879-L882 PolarHBondContact O-N 2.97Å; S880-L882 VanDerWaalsContact C-N 3.32Å; S880-L882 PolarHBondContact O-N 2.91Å; L882-V884 PolarHBondContact O-N 3.41Å; L882-S885 WeakPolarHBondContact CA-OG 3.23Å; L882-S885 PolarHBondContact O-N 2.92Å; L882-S885 PolarHBondContact O-OG 2.9Å; L882-G886 PolarHBondContact O-N 3.2Å; L882-V985 HydrophobicContact CB-CG2 3.68Å; L882-V985 HydrophobicContact CD2-CG2 4.19Å; L882-V985 HydrophobicContact CG-CG2 4.37Å; L882-V988 HydrophobicContact CD1-CB 3.86Å; L882-V988 HydrophobicContact CD1-CG1 3.72Å; L882-V988 HydrophobicContact CD1-CG2 3.99Å
883	I	95.3	Very high	92.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-50.3	179.2	-61.9	172.2	0	0	0	110.2	A809 A879 S880 G886 T887 F912 F915 N919 V985	A809-I883 HydrophobicContact CB-CB 4.02Å; A809-I883 HydrophobicContact CB-CD1 4.48Å; A809-I883 HydrophobicContact CB-CG2 3.85Å; A879-I883 VanDerWaalsContact O-CG1 3.3Å; A879-I883 WeakPolarHBondContact O-CG1 2.95Å; A879-I883 PolarHBondContact O-N 3.29Å; S880-I883 PolarHBondContact O-N 3.16Å; I883-G886 PolarHBondContact O-N 3.45Å; I883-T887 HydrophobicContact CG2-CG2 4.47Å; I883-T887 WeakPolarHBondContact O-CB 3.49Å; I883-T887 WeakPolarHBondContact O-CG2 3.41Å; I883-T887 PolarHBondContact O-N 3.37Å; I883-T887 PolarHBondContact O-OG1 2.79Å; I883-F912 HydrophobicContact CG2-CD2 4.18Å; I883-F912 HydrophobicContact CG2-CE2 4Å; I883-F912 HydrophobicContact CG2-CZ 4.41Å; I883-F915 HydrophobicContact CB-CB 4.47Å; I883-F915 HydrophobicContact CB-CG 4.47Å; I883-F915 HydrophobicContact CG1-CB 4.01Å; I883-F915 HydrophobicContact CG1-CD1 4.26Å; I883-F915 HydrophobicContact CG1-CG 4.19Å; I883-F915 HydrophobicContact CG2-CB 4Å; I883-F915 HydrophobicContact CG2-CD2 4.4Å; I883-F915 HydrophobicContact CG2-CG 4.28Å; I883-N919 HydrophobicContact CD1-CB 4.34Å; I883-V985 HydrophobicContact CG1-CG2 4.08Å
884	V	94.7	Very high	92.5	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-48	177.8	172.1	0	0	0	0	111	A809 T812 L813 L816 S880 L882 G886 T887 L888	A809-V884 HydrophobicContact CB-CG2 4.01Å; A809-V884 WeakPolarHBondContact O-CG2 3.42Å; T812-V884 HydrophobicContact CG2-CG1 4.33Å; T812-V884 HydrophobicContact CG2-CG2 4.18Å; L813-V884 HydrophobicContact CB-CG2 4.48Å; L816-V884 HydrophobicContact CD1-CG1 3.73Å; S880-V884 WeakPolarHBondContact O-CB 3.35Å; S880-V884 VanDerWaalsContact O-CG2 3.23Å; S880-V884 WeakPolarHBondContact O-CG2 3.35Å; S880-V884 PolarHBondContact O-N 2.91Å; L882-V884 PolarHBondContact O-N 3.41Å; V884-G886 PolarHBondContact O-N 3.25Å; V884-T887 WeakPolarHBondContact CA-OG1 3.39Å; V884-T887 PolarHBondContact O-N 3.03Å; V884-T887 PolarHBondContact O-OG1 2.89Å; V884-L888 WeakPolarHBondContact O-CB 3.37Å; V884-L888 PolarHBondContact O-N 3.02Å
885	S	94.4	Very high	92	Very high	65 Å²	65	36.7 Å²	36.7	46%	0.455	19%	0.188	S	C	.	.	H	α-helix	trans	-62.9	-40.9	-178.8	66.1	0	0	0	0	112.7	S881 L882 W889	S881-S885 VanDerWaalsContact O-CB 3.28Å; S881-S885 WeakPolarHBondContact O-CB 3.46Å; S881-S885 PolarHBondContact O-N 2.86Å; S881-S885 PolarHBondContact O-OG 3.21Å; S881-S885 VanDerWaalsContact O-OG 3.06Å; L882-S885 WeakPolarHBondContact CA-OG 3.23Å; L882-S885 PolarHBondContact O-N 2.92Å; L882-S885 PolarHBondContact O-OG 2.9Å; S885-W889 VanDerWaalsContact O-CB 3.27Å; S885-W889 WeakPolarHBondContact O-CB 3.46Å; S885-W889 PolarHBondContact O-N 3.47Å
886	G	94.7	Very high	91	Very high	6 Å²	6	40.4 Å²	40.4	6%	0.062	22%	0.215	C	C	.	.	H	α-helix	trans	-71.7	-42.7	179.6	0	0	0	0	0	112.8	L882 I883 V884 W889 I890	L882-G886 PolarHBondContact O-N 3.2Å; I883-G886 PolarHBondContact O-N 3.45Å; V884-G886 PolarHBondContact O-N 3.25Å; G886-W889 PolarHBondContact O-N 3.45Å; G886-I890 PolarHBondContact O-N 3.02Å; G886-I890 VanDerWaalsContact O-N 3.1Å
887	T	93.8	Very high	90	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.8	-42.2	177.7	46.1	0	0	0	0	112.1	I883 V884 W889 I890 F891 C911 F912 F915	I883-T887 HydrophobicContact CG2-CG2 4.47Å; I883-T887 WeakPolarHBondContact O-CB 3.49Å; I883-T887 WeakPolarHBondContact O-CG2 3.41Å; I883-T887 PolarHBondContact O-N 3.37Å; I883-T887 PolarHBondContact O-OG1 2.79Å; V884-T887 WeakPolarHBondContact CA-OG1 3.39Å; V884-T887 PolarHBondContact O-N 3.03Å; V884-T887 PolarHBondContact O-OG1 2.89Å; T887-W889 VanDerWaalsContact C-N 3.3Å; T887-W889 PolarHBondContact O-N 3.22Å; T887-I890 PolarHBondContact O-N 2.84Å; T887-F891 WeakPolarHBondContact O-CB 3.27Å; T887-F891 PolarHBondContact O-N 3.49Å; T887-C911 HydrophobicContact CG2-CB 4.21Å; T887-F912 HydrophobicContact CG2-CB 3.9Å; T887-F912 HydrophobicContact CG2-CD2 3.92Å; T887-F912 HydrophobicContact CG2-CG 4.33Å; T887-F915 HydrophobicContact CG2-CD2 3.87Å; T887-F915 HydrophobicContact CG2-CE2 4.25Å
888	L	91.4	Very high	88.8	Confident	24 Å²	24	49.4 Å²	49.4	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-36	175.1	-164.8	76.9	0	0	0	111.5	L813 V884 F891 F892	L813-L888 HydrophobicContact CD1-CB 4.16Å; L813-L888 HydrophobicContact CD1-CD1 3.99Å; V884-L888 WeakPolarHBondContact O-CB 3.37Å; V884-L888 PolarHBondContact O-N 3.02Å; L888-F891 PolarHBondContact O-N 2.87Å; L888-F892 HydrophobicContact CD1-CE2 4.13Å; L888-F892 HydrophobicContact CD2-CD2 4.29Å; L888-F892 HydrophobicContact CD2-CE2 3.7Å; L888-F892 HydrophobicContact CG-CD2 3.8Å; L888-F892 HydrophobicContact CG-CE2 3.58Å; L888-F892 WeakPolarHBondContact O-CB 3.38Å; L888-F892 WeakPolarHBondContact O-CD2 3.42Å; L888-F892 PolarHBondContact O-N 3.15Å
889	W	92.6	Very high	87.7	Confident	136 Å²	136	55.2 Å²	55.2	52%	0.515	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-45.3	175	177.7	50.3	0	0	0	112.4	S885 G886 T887 F892 R893 L981	S885-W889 VanDerWaalsContact O-CB 3.27Å; S885-W889 WeakPolarHBondContact O-CB 3.46Å; S885-W889 PolarHBondContact O-N 3.47Å; G886-W889 PolarHBondContact O-N 3.45Å; T887-W889 VanDerWaalsContact C-N 3.3Å; T887-W889 PolarHBondContact O-N 3.22Å; W889-F892 PolarHBondContact O-N 3.05Å; W889-R893 WeakPolarHBondContact O-CB 2.99Å; W889-R893 PolarHBondContact O-N 3.31Å; W889-L981 HydrophobicContact CE3-CD1 3.9Å; W889-L981 HydrophobicContact CE3-CD2 3.73Å; W889-L981 HydrophobicContact CE3-CG 4.46Å; W889-L981 HydrophobicContact CZ3-CD1 3.69Å; W889-L981 HydrophobicContact CZ3-CD2 3.82Å; W889-L981 HydrophobicContact CZ3-CG 4.31Å
890	I	92.8	Very high	86.6	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-45.5	174.2	-71.5	-57.4	0	0	0	110.9	G886 T887 F892 R893 E894 M907 C911 L977 L978 L981	G886-I890 PolarHBondContact O-N 3.02Å; G886-I890 VanDerWaalsContact O-N 3.1Å; T887-I890 PolarHBondContact O-N 2.84Å; I890-F892 PolarHBondContact O-N 3.31Å; I890-R893 WeakPolarHBondContact O-CB 3.4Å; I890-R893 PolarHBondContact O-N 3.25Å; I890-R893 VanDerWaalsContact O-N 3.1Å; I890-E894 HydrophobicContact CG2-CG 4.45Å; I890-E894 PolarHBondContact O-N 3.23Å; I890-M907 HydrophobicContact CG2-CB 4.31Å; I890-C911 HydrophobicContact CG2-CB 4.49Å; I890-L977 HydrophobicContact CD1-CD2 4.32Å; I890-L978 HydrophobicContact CG1-CD2 4.4Å; I890-L981 HydrophobicContact CD1-CD2 3.78Å; I890-L981 HydrophobicContact CG1-CD2 3.47Å; I890-L981 VanDerWaalsContact CG1-CD2 3.47Å
891	F	89.6	Confident	86	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-47.8	178.2	-175.9	-113.8	0	0	0	111.7	L822 P823 P825 T887 L888 R893 E894 L895 T908	L822-F891 HydrophobicContact CB-CE1 4.25Å; L822-F891 HydrophobicContact CD1-CE1 4.32Å; P823-F891 HydrophobicContact CG-CZ 4.19Å; P823-F891 WeakPolarHBondContact O-CZ 3.21Å; P825-F891 HydrophobicContact CB-CD1 4.33Å; P825-F891 HydrophobicContact CB-CD2 3.9Å; P825-F891 HydrophobicContact CB-CE1 4.31Å; P825-F891 HydrophobicContact CB-CE2 3.88Å; P825-F891 HydrophobicContact CB-CG 4.12Å; P825-F891 HydrophobicContact CB-CZ 4.07Å; T887-F891 WeakPolarHBondContact O-CB 3.27Å; T887-F891 PolarHBondContact O-N 3.49Å; L888-F891 PolarHBondContact O-N 2.87Å; F891-R893 VanDerWaalsContact C-N 3.31Å; F891-R893 PolarHBondContact O-N 2.69Å; F891-E894 PolarHBondContact O-N 3.29Å; F891-L895 HydrophobicContact CE2-CD1 4.18Å; F891-L895 HydrophobicContact CZ-CD1 4.03Å; F891-L895 VanDerWaalsContact O-CB 3.3Å; F891-L895 WeakPolarHBondContact O-CB 3.38Å; F891-L895 PolarHBondContact O-N 2.92Å; F891-T908 HydrophobicContact CB-CG2 4.08Å; F891-T908 HydrophobicContact CD2-CG2 4.19Å; F891-T908 WeakPolarHBondContact CD2-OG1 3.39Å; F891-T908 HydrophobicContact CG-CG2 4.48Å
892	F	88	Confident	85.3	Confident	97 Å²	97	60 Å²	60	43%	0.425	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-34.7	175.9	-84.4	-56.7	0	0	0	113.8	L820 L822 L888 W889 I890	L820-F892 HydrophobicContact CD1-CZ 4.08Å; L822-F892 HydrophobicContact CD1-CD1 4.45Å; L822-F892 HydrophobicContact CD1-CE1 3.48Å; L822-F892 VanDerWaalsContact CD1-CE1 3.48Å; L822-F892 HydrophobicContact CD1-CE2 4.44Å; L822-F892 HydrophobicContact CD1-CZ 3.48Å; L822-F892 VanDerWaalsContact CD1-CZ 3.48Å; L822-F892 HydrophobicContact CD2-CE1 4.09Å; L822-F892 HydrophobicContact CG-CE1 4.4Å; L888-F892 HydrophobicContact CD1-CE2 4.13Å; L888-F892 HydrophobicContact CD2-CD2 4.29Å; L888-F892 HydrophobicContact CD2-CE2 3.7Å; L888-F892 HydrophobicContact CG-CD2 3.8Å; L888-F892 HydrophobicContact CG-CE2 3.58Å; L888-F892 WeakPolarHBondContact O-CB 3.38Å; L888-F892 WeakPolarHBondContact O-CD2 3.42Å; L888-F892 PolarHBondContact O-N 3.15Å; W889-F892 PolarHBondContact O-N 3.05Å; I890-F892 PolarHBondContact O-N 3.31Å
893	R	88.5	Confident	84.9	Confident	105 Å²	105	60.1 Å²	60.1	40%	0.396	31%	0.311	S	S	.	.	H	α-helix	trans	-67.3	-42.3	-179.2	-165.6	-172.6	89.3	156.9	8.2	111.6	W889 I890 F891 L977	W889-R893 WeakPolarHBondContact O-CB 2.99Å; W889-R893 PolarHBondContact O-N 3.31Å; I890-R893 WeakPolarHBondContact O-CB 3.4Å; I890-R893 PolarHBondContact O-N 3.25Å; I890-R893 VanDerWaalsContact O-N 3.1Å; F891-R893 VanDerWaalsContact C-N 3.31Å; F891-R893 PolarHBondContact O-N 2.69Å; R893-L977 VanDerWaalsContact CZ-CD2 3.43Å; R893-L977 VanDerWaalsContact NH2-CD2 3.26Å
894	E	86.3	Confident	84.5	Confident	36 Å²	36	60.5 Å²	60.5	17%	0.168	31%	0.313	C	S	.	.	H	α-helix	trans	-80.1	-28	-179.1	-57.9	-54.4	139.2	0	0	111.6	I890 F891 S896 D904 M907	I890-E894 HydrophobicContact CG2-CG 4.45Å; I890-E894 PolarHBondContact O-N 3.23Å; F891-E894 PolarHBondContact O-N 3.29Å; E894-S896 PolarHBondContact O-N 3.16Å; E894-D904 HydrophobicContact CB-CB 4.15Å; E894-M907 HydrophobicContact CG-CB 4.35Å; E894-M907 HydrophobicContact CG-CG 4.45Å
895	L	81.8	Confident	84	Confident	17 Å²	17	61 Å²	61	9%	0.089	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-72.1	13.5	176.7	-148.8	87.9	0	0	0	114.8	L822 P823 F891 D897 N898 V900	L822-L895 HydrophobicContact CD2-CD2 4.02Å; P823-L895 HydrophobicContact CG-CD1 4.32Å; F891-L895 HydrophobicContact CE2-CD1 4.18Å; F891-L895 HydrophobicContact CZ-CD1 4.03Å; F891-L895 VanDerWaalsContact O-CB 3.3Å; F891-L895 WeakPolarHBondContact O-CB 3.38Å; F891-L895 PolarHBondContact O-N 2.92Å; L895-D897 PolarHBondContact O-N 2.81Å; L895-N898 PolarHBondContact O-N 3.1Å; L895-V900 HydrophobicContact CD1-CG2 3.92Å
896	S	70.7	Confident	83.9	Confident	88 Å²	88	58 Å²	58	62%	0.615	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-56.6	-22.7	-175.4	63.7	0	0	0	0	113.9	E894	E894-S896 PolarHBondContact O-N 3.16Å
897	D	69.7	Low	83.8	Confident	131 Å²	131	57.7 Å²	57.7	70%	0.701	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-96.8	6.9	-174.1	-63.2	5.8	0	0	0	112.8	L895 K899	L895-D897 PolarHBondContact O-N 2.81Å; D897-K899 PolarHBondContact O-N 3.33Å
898	N	68.9	Low	83.7	Confident	149 Å²	149	57.7 Å²	57.7	80%	0.797	29%	0.292	S	S	*	.	S	Bend	trans	53.8	15.8	-178.3	-81.8	-41.7	0	0	0	115.2	L895	L895-N898 PolarHBondContact O-N 3.1Å
899	K	70.6	Confident	83.8	Confident	162 Å²	162	56.5 Å²	56.5	70%	0.704	29%	0.286	S	S	*	.	S	Bend	trans	-123	130.4	171.8	-72.7	-175.9	179.9	177.2	0	108.7	D897 T901	D897-K899 PolarHBondContact O-N 3.33Å; K899-T901 PolarHBondContact O-N 3.36Å
900	V	71.6	Confident	83.9	Confident	67 Å²	67	50.1 Å²	50.1	41%	0.406	26%	0.262	S	S	.	.			trans	-76.2	112.4	173.9	-176.4	0	0	0	0	108.3	P823 L895 T905	P823-V900 HydrophobicContact CB-CG2 3.6Å; P823-V900 HydrophobicContact CG-CG2 3.23Å; L895-V900 HydrophobicContact CD1-CG2 3.92Å; V900-T905 HydrophobicContact CG1-CG2 3.55Å
901	T	80.7	Confident	84	Confident	56 Å²	56	50.1 Å²	50.1	34%	0.344	26%	0.262	S	S	.	.			trans	-94.5	156.4	171.9	73.9	0	0	0	0	111.2	K899 H903 D904 T905	K899-T901 PolarHBondContact O-N 3.36Å; T901-H903 PolarHBondContact O-N 2.98Å; T901-D904 PolarHBondContact N-OD2 3.16Å; T901-D904 PolarHBondContact O-N 2.94Å; T901-D904 VanDerWaalsContact O-N 3.15Å; T901-D904 PolarHBondContact OG1-N 2.9Å; T901-D904 PolarHBondContact OG1-OD1 3.1Å; T901-D904 PolarHBondContact OG1-OD2 2.72Å; T901-D904 VanDerWaalsContact OG1-OD2 3.08Å; T901-T905 PolarHBondContact O-N 3.48Å
902	P	79.4	Confident	84.2	Confident	74 Å²	74	50.1 Å²	50.1	48%	0.481	26%	0.262	S	S	.	.	H	α-helix	trans	-56.2	-34.9	171.4	-24.7	34.9	0	0	0	112.5	T905 T906 E968	P902-T905 PolarHBondContact O-N 3.2Å; P902-T905 PolarHBondContact O-OG1 2.76Å; P902-T906 WeakPolarHBondContact O-CB 3.27Å; P902-T906 PolarHBondContact O-N 2.82Å; P902-T906 PolarHBondContact O-OG1 2.84Å; P902-E968 HydrophobicContact CB-CB 4.31Å
903	H	86.7	Confident	84.5	Confident	40 Å²	40	45.5 Å²	45.5	19%	0.185	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-46.4	173.4	-175.9	-85.3	0	0	0	112.3	T901 T905 T906 M907 E968 D974	T901-H903 PolarHBondContact O-N 2.98Å; H903-T905 PolarHBondContact O-N 3.28Å; H903-T906 PolarHBondContact O-N 3.04Å; H903-T906 VanDerWaalsContact O-N 3.1Å; H903-M907 WeakPolarHBondContact O-CB 3.39Å; H903-M907 PolarHBondContact O-N 3.23Å; H903-E968 PolarHBondContact N-OE2 3.26Å; H903-D974 IonicContact NE2-OD2 3.09Å; H903-D974 PolarHBondContact NE2-OD2 3.38Å
904	D	87.3	Confident	84.8	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-44.3	-179.7	-49.6	-24.2	0	0	0	112	E894 T901 T906 M907 T908	E894-D904 HydrophobicContact CB-CB 4.15Å; T901-D904 PolarHBondContact N-OD2 3.16Å; T901-D904 PolarHBondContact O-N 2.94Å; T901-D904 VanDerWaalsContact O-N 3.15Å; T901-D904 PolarHBondContact OG1-N 2.9Å; T901-D904 PolarHBondContact OG1-OD1 3.1Å; T901-D904 PolarHBondContact OG1-OD2 2.72Å; T901-D904 VanDerWaalsContact OG1-OD2 3.08Å; D904-T906 VanDerWaalsContact C-N 3.31Å; D904-T906 PolarHBondContact O-N 3.48Å; D904-M907 PolarHBondContact O-N 2.76Å; D904-T908 WeakPolarHBondContact O-CB 3.41Å; D904-T908 PolarHBondContact O-N 3.17Å; D904-T908 PolarHBondContact O-OG1 3.32Å
905	T	85.5	Confident	85.3	Confident	21 Å²	21	39.7 Å²	39.7	13%	0.129	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-37	177.9	64.9	0	0	0	0	110.8	V900 T901 P902 H903 T908 F909	V900-T905 HydrophobicContact CG1-CG2 3.55Å; T901-T905 PolarHBondContact O-N 3.48Å; P902-T905 PolarHBondContact O-N 3.2Å; P902-T905 PolarHBondContact O-OG1 2.76Å; H903-T905 PolarHBondContact O-N 3.28Å; T905-T908 PolarHBondContact O-N 2.79Å; T905-F909 WeakPolarHBondContact O-CB 3.28Å; T905-F909 PolarHBondContact O-N 2.88Å
906	T	91.6	Very high	85.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.9	-38.8	177.8	-51.1	0	0	0	0	112.2	P902 H903 D904 T910 I956 T967 E968 L970	P902-T906 WeakPolarHBondContact O-CB 3.27Å; P902-T906 PolarHBondContact O-N 2.82Å; P902-T906 PolarHBondContact O-OG1 2.84Å; H903-T906 PolarHBondContact O-N 3.04Å; H903-T906 VanDerWaalsContact O-N 3.1Å; D904-T906 VanDerWaalsContact C-N 3.31Å; D904-T906 PolarHBondContact O-N 3.48Å; T906-T910 VanDerWaalsContact O-CB 3.27Å; T906-T910 WeakPolarHBondContact O-CB 3.25Å; T906-T910 PolarHBondContact O-N 3Å; T906-T910 PolarHBondContact O-OG1 3.06Å; T906-I956 HydrophobicContact CG2-CG1 4.22Å; T906-I956 HydrophobicContact CG2-CG2 4.42Å; T906-T967 HydrophobicContact CG2-CG2 4.04Å; T906-T967 VanDerWaalsContact OG1-CA 3.29Å; T906-T967 WeakPolarHBondContact OG1-CA 3.3Å; T906-E968 VanDerWaalsContact CG2-O 3.31Å; T906-E968 WeakPolarHBondContact CG2-O 3.3Å; T906-E968 PolarHBondContact OG1-N 3.19Å; T906-L970 HydrophobicContact CG2-CD1 4.26Å; T906-L970 HydrophobicContact CG2-CD2 4.48Å; T906-L970 HydrophobicContact CG2-CG 4.15Å
907	M	92.5	Very high	86.9	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-48.3	172.6	-91.2	-66	-93.7	0	0	110.9	I890 E894 H903 D904 T910 C911 L970 D974 L977 L978	I890-M907 HydrophobicContact CG2-CB 4.31Å; E894-M907 HydrophobicContact CG-CB 4.35Å; E894-M907 HydrophobicContact CG-CG 4.45Å; H903-M907 WeakPolarHBondContact O-CB 3.39Å; H903-M907 PolarHBondContact O-N 3.23Å; D904-M907 PolarHBondContact O-N 2.76Å; M907-T910 PolarHBondContact O-N 3.4Å; M907-C911 VanDerWaalsContact O-CB 3.22Å; M907-C911 WeakPolarHBondContact O-CB 3.38Å; M907-C911 PolarHBondContact O-N 3.46Å; M907-L970 HydrophobicContact CG-CD2 3.59Å; M907-L970 HydrophobicContact SD-CD1 4.41Å; M907-L970 HydrophobicContact SD-CD2 3.63Å; M907-D974 HydrophobicContact CE-CB 4.13Å; M907-D974 HydrophobicContact SD-CB 3.68Å; M907-L977 HydrophobicContact CE-CD2 4.27Å; M907-L978 HydrophobicContact CE-CD2 4.35Å; M907-L978 HydrophobicContact CE-CG 4.46Å; M907-L978 HydrophobicContact SD-CD1 3.88Å; M907-L978 HydrophobicContact SD-CD2 4.34Å; M907-L978 HydrophobicContact SD-CG 4.17Å
908	T	92.5	Very high	88.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.3	-44.4	-179	-53.3	0	0	0	0	111.5	P825 F891 D904 T905 C911 F912	P825-T908 HydrophobicContact CB-CG2 4.06Å; F891-T908 HydrophobicContact CB-CG2 4.08Å; F891-T908 HydrophobicContact CD2-CG2 4.19Å; F891-T908 WeakPolarHBondContact CD2-OG1 3.39Å; F891-T908 HydrophobicContact CG-CG2 4.48Å; D904-T908 WeakPolarHBondContact O-CB 3.41Å; D904-T908 PolarHBondContact O-N 3.17Å; D904-T908 PolarHBondContact O-OG1 3.32Å; T905-T908 PolarHBondContact O-N 2.79Å; T908-C911 WeakPolarHBondContact O-CB 3.38Å; T908-C911 PolarHBondContact O-N 3.05Å; T908-F912 PolarHBondContact O-N 3.03Å
909	F	92.7	Very high	89.2	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.1	-49.5	174.4	169.6	-121.7	0	0	0	112.1	L826 Q830 F833 I834 T905 C911 F912 V913 V955 T967	L826-F909 HydrophobicContact CD2-CB 3.88Å; L826-F909 HydrophobicContact CD2-CD2 4.35Å; Q830-F909 HydrophobicContact CB-CD2 3.64Å; Q830-F909 HydrophobicContact CB-CE2 3.81Å; Q830-F909 HydrophobicContact CB-CG 4.3Å; Q830-F909 HydrophobicContact CG-CB 4.43Å; Q830-F909 HydrophobicContact CG-CD1 4.32Å; Q830-F909 HydrophobicContact CG-CD2 3.75Å; Q830-F909 HydrophobicContact CG-CE2 4Å; Q830-F909 HydrophobicContact CG-CG 3.91Å; Q830-F909 HydrophobicContact CG-CZ 4.39Å; F833-F909 AromaticContact CD1-CE2 3.99Å; F833-F909 HydrophobicContact CD1-CE2 3.99Å; F833-F909 AromaticContact CD1-CZ 3.52Å; F833-F909 HydrophobicContact CD1-CZ 3.52Å; F833-F909 AromaticContact CE1-CZ 3.89Å; F833-F909 HydrophobicContact CE1-CZ 3.89Å; F833-F909 HydrophobicContact CG-CZ 4.27Å; I834-F909 HydrophobicContact CD1-CD2 4.16Å; I834-F909 HydrophobicContact CD1-CE2 4.18Å; I834-F909 HydrophobicContact CG1-CD2 4.49Å; I834-F909 HydrophobicContact CG1-CE2 4.03Å; T905-F909 WeakPolarHBondContact O-CB 3.28Å; T905-F909 PolarHBondContact O-N 2.88Å; F909-C911 VanDerWaalsContact C-N 3.33Å; F909-C911 PolarHBondContact O-N 2.91Å; F909-F912 PolarHBondContact O-N 2.88Å; F909-V913 HydrophobicContact CD2-CG2 4.19Å; F909-V913 HydrophobicContact CE2-CG2 3.83Å; F909-V913 HydrophobicContact CZ-CG2 4.21Å; F909-V913 WeakPolarHBondContact O-CG2 3.47Å; F909-V913 PolarHBondContact O-N 3.46Å; F909-V955 HydrophobicContact CE1-CG1 4Å; F909-T967 HydrophobicContact CD1-CG2 4.04Å; F909-T967 HydrophobicContact CE1-CG2 4.2Å
910	T	94.3	Very high	90.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-69	-34.1	-179.7	-52.5	0	0	0	0	111.7	T906 M907 L914 Q952 I956 L970 L978	T906-T910 VanDerWaalsContact O-CB 3.27Å; T906-T910 WeakPolarHBondContact O-CB 3.25Å; T906-T910 PolarHBondContact O-N 3Å; T906-T910 PolarHBondContact O-OG1 3.06Å; M907-T910 PolarHBondContact O-N 3.4Å; T910-L914 HydrophobicContact CG2-CD1 4.08Å; T910-L914 HydrophobicContact CG2-CG 4.38Å; T910-L914 WeakPolarHBondContact O-CB 3.49Å; T910-L914 WeakPolarHBondContact O-CG 3.12Å; T910-L914 PolarHBondContact O-N 2.64Å; T910-Q952 HydrophobicContact CG2-CG 4.4Å; T910-Q952 PolarHBondContact OG1-NE2 3.32Å; T910-I956 HydrophobicContact CG2-CD1 3.71Å; T910-I956 VanDerWaalsContact OG1-CD1 3.28Å; T910-I956 WeakPolarHBondContact OG1-CD1 3.17Å; T910-L970 HydrophobicContact CG2-CD1 4Å; T910-L978 HydrophobicContact CG2-CD1 3.82Å
911	C	95.1	Very high	91.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.9	-47.7	171.8	-171.5	0	0	0	0	111.3	T887 I890 M907 T908 F909 L914 F915 L978 T982	T887-C911 HydrophobicContact CG2-CB 4.21Å; I890-C911 HydrophobicContact CG2-CB 4.49Å; M907-C911 VanDerWaalsContact O-CB 3.22Å; M907-C911 WeakPolarHBondContact O-CB 3.38Å; M907-C911 PolarHBondContact O-N 3.46Å; T908-C911 WeakPolarHBondContact O-CB 3.38Å; T908-C911 PolarHBondContact O-N 3.05Å; F909-C911 VanDerWaalsContact C-N 3.33Å; F909-C911 PolarHBondContact O-N 2.91Å; C911-L914 PolarHBondContact O-N 3.38Å; C911-F915 WeakPolarHBondContact O-CD2 3.49Å; C911-F915 PolarHBondContact O-N 3.17Å; C911-L978 HydrophobicContact CB-CD2 3.55Å; C911-T982 WeakPolarHBondContact O-CG2 3.3Å
912	F	94.7	Very high	91.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-49.9	179.4	-164.6	-76.7	0	0	0	111.3	T806 A809 A810 L813 L826 I834 I883 T887 T908 F909 L914 F915 D916	T806-F912 HydrophobicContact CG2-CE1 3.68Å; T806-F912 HydrophobicContact CG2-CZ 4.15Å; A809-F912 HydrophobicContact CB-CE2 4.12Å; A809-F912 HydrophobicContact CB-CZ 4.05Å; A810-F912 HydrophobicContact CB-CE2 4.31Å; A810-F912 HydrophobicContact CB-CZ 3.82Å; L813-F912 HydrophobicContact CD2-CD2 3.93Å; L813-F912 HydrophobicContact CD2-CE2 4.18Å; L826-F912 HydrophobicContact CD1-CD2 4.28Å; L826-F912 HydrophobicContact CD1-CG 4.46Å; I834-F912 HydrophobicContact CD1-CD1 3.67Å; I834-F912 HydrophobicContact CD1-CE1 4.11Å; I834-F912 HydrophobicContact CD1-CG 4.3Å; I834-F912 HydrophobicContact CG1-CD1 4.36Å; I834-F912 HydrophobicContact CG2-CD1 4.29Å; I834-F912 HydrophobicContact CG2-CE1 3.94Å; I883-F912 HydrophobicContact CG2-CD2 4.18Å; I883-F912 HydrophobicContact CG2-CE2 4Å; I883-F912 HydrophobicContact CG2-CZ 4.41Å; T887-F912 HydrophobicContact CG2-CB 3.9Å; T887-F912 HydrophobicContact CG2-CD2 3.92Å; T887-F912 HydrophobicContact CG2-CG 4.33Å; T908-F912 PolarHBondContact O-N 3.03Å; F909-F912 PolarHBondContact O-N 2.88Å; F912-L914 VanDerWaalsContact C-N 3.35Å; F912-L914 PolarHBondContact O-N 3.25Å; F912-F915 WeakPolarHBondContact O-CB 3.38Å; F912-F915 PolarHBondContact O-N 3.32Å; F912-D916 VanDerWaalsContact CD1-OD2 3.27Å; F912-D916 WeakPolarHBondContact CD1-OD2 3.47Å; F912-D916 WeakPolarHBondContact CE1-OD2 3.2Å; F912-D916 PolarHBondContact O-N 3.27Å
913	V	94.2	Very high	92.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.3	-41.9	179.3	172.5	0	0	0	0	112.2	I834 M838 F909 D916 M917 Q952	I834-V913 HydrophobicContact CG1-CG2 3.94Å; M838-V913 HydrophobicContact CG-CG1 3.89Å; M838-V913 HydrophobicContact CG-CG2 4.19Å; M838-V913 HydrophobicContact SD-CG1 3.7Å; F909-V913 HydrophobicContact CD2-CG2 4.19Å; F909-V913 HydrophobicContact CE2-CG2 3.83Å; F909-V913 HydrophobicContact CZ-CG2 4.21Å; F909-V913 WeakPolarHBondContact O-CG2 3.47Å; F909-V913 PolarHBondContact O-N 3.46Å; V913-D916 PolarHBondContact O-N 2.99Å; V913-M917 WeakPolarHBondContact O-CG 3.4Å; V913-M917 PolarHBondContact O-N 2.85Å; V913-M917 VanDerWaalsContact O-N 3.09Å; V913-Q952 HydrophobicContact CG1-CB 4.31Å; V913-Q952 HydrophobicContact CG1-CG 4.02Å
914	L	95	Very high	92.3	Very high	18 Å²	18	6.9 Å²	6.9	9%	0.094	4%	0.035	C	C	.	.	H	α-helix	trans	-67.8	-37.3	178.3	-75.4	174.1	0	0	0	112.2	T910 C911 F912 D916 M917 F918 L949 L978 V979 T982	T910-L914 HydrophobicContact CG2-CD1 4.08Å; T910-L914 HydrophobicContact CG2-CG 4.38Å; T910-L914 WeakPolarHBondContact O-CB 3.49Å; T910-L914 WeakPolarHBondContact O-CG 3.12Å; T910-L914 PolarHBondContact O-N 2.64Å; C911-L914 PolarHBondContact O-N 3.38Å; F912-L914 VanDerWaalsContact C-N 3.35Å; F912-L914 PolarHBondContact O-N 3.25Å; L914-D916 VanDerWaalsContact C-N 3.3Å; L914-D916 PolarHBondContact O-N 3.41Å; L914-M917 PolarHBondContact O-N 2.9Å; L914-F918 VanDerWaalsContact O-CD2 3.3Å; L914-F918 WeakPolarHBondContact O-CD2 3.4Å; L914-F918 PolarHBondContact O-N 3.03Å; L914-F918 VanDerWaalsContact O-N 3.15Å; L914-L949 HydrophobicContact CD2-CD2 3.64Å; L914-L978 HydrophobicContact CD1-CB 3.69Å; L914-L978 HydrophobicContact CD1-CD1 4.38Å; L914-V979 HydrophobicContact CD1-CG2 4.24Å; L914-T982 HydrophobicContact CB-CG2 3.72Å
915	F	95.6	Very high	92.1	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	4%	0.036	C	C	.	.	H	α-helix	trans	-58.4	-43.7	171.6	-95.9	-55.2	0	0	0	111.3	I883 T887 C911 F912 M917 F918 N919 L981 T982 V985	I883-F915 HydrophobicContact CB-CB 4.47Å; I883-F915 HydrophobicContact CB-CG 4.47Å; I883-F915 HydrophobicContact CG1-CB 4.01Å; I883-F915 HydrophobicContact CG1-CD1 4.26Å; I883-F915 HydrophobicContact CG1-CG 4.19Å; I883-F915 HydrophobicContact CG2-CB 4Å; I883-F915 HydrophobicContact CG2-CD2 4.4Å; I883-F915 HydrophobicContact CG2-CG 4.28Å; T887-F915 HydrophobicContact CG2-CD2 3.87Å; T887-F915 HydrophobicContact CG2-CE2 4.25Å; C911-F915 WeakPolarHBondContact O-CD2 3.49Å; C911-F915 PolarHBondContact O-N 3.17Å; F912-F915 WeakPolarHBondContact O-CB 3.38Å; F912-F915 PolarHBondContact O-N 3.32Å; F915-M917 PolarHBondContact O-N 2.81Å; F915-F918 PolarHBondContact O-N 3.26Å; F915-N919 WeakPolarHBondContact O-CB 3.25Å; F915-N919 PolarHBondContact O-N 2.96Å; F915-L981 HydrophobicContact CE2-CG 4.43Å; F915-L981 HydrophobicContact CZ-CG 4.06Å; F915-T982 HydrophobicContact CB-CG2 4.23Å; F915-T982 HydrophobicContact CD1-CG2 3.99Å; F915-T982 HydrophobicContact CD2-CG2 3.55Å; F915-T982 VanDerWaalsContact CE1-CA 3.48Å; F915-T982 HydrophobicContact CE1-CG2 4.24Å; F915-T982 HydrophobicContact CE2-CG2 3.8Å; F915-T982 HydrophobicContact CG-CG2 3.65Å; F915-T982 HydrophobicContact CZ-CG2 4.14Å; F915-V985 HydrophobicContact CD1-CB 4.14Å; F915-V985 HydrophobicContact CD1-CG2 3.42Å; F915-V985 VanDerWaalsContact CD1-CG2 3.42Å; F915-V985 HydrophobicContact CE1-CB 4.41Å; F915-V985 HydrophobicContact CE1-CG2 3.55Å
916	D	93.3	Very high	91.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.4	-40.9	177.6	-67.8	-23.1	0	0	0	112	F802 T806 F912 V913 L914 F918 N919 A920	F802-D916 HydrophobicContact CE2-CB 4.3Å; F802-D916 WeakPolarHBondContact CE2-O 3.4Å; T806-D916 WeakPolarHBondContact CG2-OD1 3.47Å; T806-D916 VanDerWaalsContact CG2-OD2 3.23Å; T806-D916 WeakPolarHBondContact CG2-OD2 3.24Å; F912-D916 VanDerWaalsContact CD1-OD2 3.27Å; F912-D916 WeakPolarHBondContact CD1-OD2 3.47Å; F912-D916 WeakPolarHBondContact CE1-OD2 3.2Å; F912-D916 PolarHBondContact O-N 3.27Å; V913-D916 PolarHBondContact O-N 2.99Å; L914-D916 VanDerWaalsContact C-N 3.3Å; L914-D916 PolarHBondContact O-N 3.41Å; D916-F918 PolarHBondContact O-N 3.41Å; D916-N919 CarbonylContact O-C 3.6Å; D916-N919 WeakPolarHBondContact O-CB 3.29Å; D916-N919 PolarHBondContact O-N 3.2Å; D916-A920 WeakPolarHBondContact O-CB 3.33Å; D916-A920 PolarHBondContact O-N 2.71Å
917	M	93.1	Very high	91.1	Very high	6 Å²	6	10.3 Å²	10.3	3%	0.03	5%	0.053	C	C	.	.	H	α-helix	trans	-64.2	-40.8	177.6	-65.1	-56.1	97.3	0	0	112.6	M838 P842 V913 L914 F915 N919 A920 L921 V945 L949	M838-M917 HydrophobicContact CB-CE 4.39Å; M838-M917 WeakPolarHBondContact O-CE 3.39Å; P842-M917 HydrophobicContact CG-CE 4.02Å; P842-M917 HydrophobicContact CG-SD 4.2Å; V913-M917 WeakPolarHBondContact O-CG 3.4Å; V913-M917 PolarHBondContact O-N 2.85Å; V913-M917 VanDerWaalsContact O-N 3.09Å; L914-M917 PolarHBondContact O-N 2.9Å; F915-M917 PolarHBondContact O-N 2.81Å; M917-N919 VanDerWaalsContact C-N 3.33Å; M917-A920 PolarHBondContact O-N 3.35Å; M917-L921 PolarHBondContact O-N 3Å; M917-V945 HydrophobicContact CB-CG1 4.39Å; M917-V945 HydrophobicContact SD-CG1 4.06Å; M917-V945 HydrophobicContact SD-CG2 4.49Å; M917-L949 HydrophobicContact CB-CD2 4.43Å; M917-L949 HydrophobicContact CG-CD2 3.82Å; M917-L949 HydrophobicContact CG-CG 4.23Å
918	F	93.8	Very high	90.5	Very high	44 Å²	44	14.5 Å²	14.5	19%	0.193	7%	0.071	C	C	.	.	H	α-helix	trans	-70.7	-30.2	173.7	-78.7	-66.6	0	0	0	113	L914 F915 D916 L921 S922 V979 T982 F986	L914-F918 VanDerWaalsContact O-CD2 3.3Å; L914-F918 WeakPolarHBondContact O-CD2 3.4Å; L914-F918 PolarHBondContact O-N 3.03Å; L914-F918 VanDerWaalsContact O-N 3.15Å; F915-F918 PolarHBondContact O-N 3.26Å; D916-F918 PolarHBondContact O-N 3.41Å; F918-L921 HydrophobicContact CD1-CD1 4.12Å; F918-L921 WeakPolarHBondContact O-CB 3.41Å; F918-S922 PolarHBondContact O-N 3.05Å; F918-S922 PolarHBondContact O-OG 2.81Å; F918-V979 HydrophobicContact CZ-CG1 4.35Å; F918-T982 WeakPolarHBondContact CD2-OG1 3.34Å; F918-T982 WeakPolarHBondContact CE2-OG1 3.31Å; F918-F986 HydrophobicContact CB-CB 4.31Å; F918-F986 HydrophobicContact CD1-CB 4.18Å
919	N	92.9	Very high	90	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-71.4	-39.1	174.4	-171.9	34.7	0	0	0	111.9	S805 I883 F915 D916 M917 L921 S922 F923 V985	S805-N919 PolarHBondContact OG-ND2 3.1Å; I883-N919 HydrophobicContact CD1-CB 4.34Å; F915-N919 WeakPolarHBondContact O-CB 3.25Å; F915-N919 PolarHBondContact O-N 2.96Å; D916-N919 CarbonylContact O-C 3.6Å; D916-N919 WeakPolarHBondContact O-CB 3.29Å; D916-N919 PolarHBondContact O-N 3.2Å; M917-N919 VanDerWaalsContact C-N 3.33Å; N919-L921 VanDerWaalsContact C-N 3.27Å; N919-L921 PolarHBondContact O-N 2.82Å; N919-S922 WeakPolarHBondContact O-CA 3.29Å; N919-S922 VanDerWaalsContact O-CB 3.22Å; N919-S922 WeakPolarHBondContact O-CB 3.31Å; N919-S922 PolarHBondContact O-N 2.79Å; N919-F923 WeakPolarHBondContact O-CD2 3.29Å; N919-F923 PolarHBondContact O-N 3.2Å; N919-F923 VanDerWaalsContact O-N 3.11Å; N919-F923 WeakPolarHBondContact OD1-CD2 3.33Å; N919-F923 VanDerWaalsContact OD1-CE2 3.26Å; N919-F923 WeakPolarHBondContact OD1-CE2 3.37Å; N919-V985 HydrophobicContact CB-CG1 3.95Å
920	A	92.4	Very high	89.5	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.3	-41.1	173.3	0	0	0	0	0	111.4	F802 P842 D916 M917 S922 F923 R924 F941	F802-A920 HydrophobicContact CD2-CB 3.94Å; F802-A920 HydrophobicContact CE2-CB 3.69Å; F802-A920 HydrophobicContact CG-CB 4.5Å; F802-A920 HydrophobicContact CZ-CB 4.02Å; P842-A920 HydrophobicContact CB-CB 4.29Å; D916-A920 WeakPolarHBondContact O-CB 3.33Å; D916-A920 PolarHBondContact O-N 2.71Å; M917-A920 PolarHBondContact O-N 3.35Å; A920-S922 VanDerWaalsContact C-N 3.34Å; A920-S922 PolarHBondContact O-N 3.41Å; A920-F923 PolarHBondContact O-N 3Å; A920-R924 PolarHBondContact O-N 3.14Å; A920-F941 HydrophobicContact CB-CE2 4.12Å; A920-F941 HydrophobicContact CB-CZ 4.19Å
921	L	91.3	Very high	88.7	Confident	30 Å²	30	22.1 Å²	22.1	16%	0.157	11%	0.107	C	C	.	.	H	α-helix	trans	-57.3	-46.9	171.6	-86	152.2	0	0	0	111.4	M917 F918 N919 F923 R924 I930 F935 F941 F986	M917-L921 PolarHBondContact O-N 3Å; F918-L921 HydrophobicContact CD1-CD1 4.12Å; F918-L921 WeakPolarHBondContact O-CB 3.41Å; N919-L921 VanDerWaalsContact C-N 3.27Å; N919-L921 PolarHBondContact O-N 2.82Å; L921-F923 PolarHBondContact O-N 3.43Å; L921-R924 WeakPolarHBondContact O-CB 3.5Å; L921-R924 PolarHBondContact O-N 2.96Å; L921-I930 WeakPolarHBondContact O-CD1 3.27Å; L921-F935 HydrophobicContact CD2-CD1 4.29Å; L921-F935 HydrophobicContact CD2-CE1 4.31Å; L921-F941 HydrophobicContact CD2-CE1 3.81Å; L921-F941 HydrophobicContact CD2-CZ 4.27Å; L921-F941 HydrophobicContact CG-CE1 3.94Å; L921-F941 HydrophobicContact CG-CZ 3.96Å; L921-F986 HydrophobicContact CB-CD2 4.1Å; L921-F986 HydrophobicContact CB-CE2 4.49Å
922	S	89.6	Confident	88	Confident	4 Å²	4	26 Å²	26	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-59.4	-33.4	-179.5	-64	0	0	0	0	113.4	F918 N919 A920 F986 S989 K993	F918-S922 PolarHBondContact O-N 3.05Å; F918-S922 PolarHBondContact O-OG 2.81Å; N919-S922 WeakPolarHBondContact O-CA 3.29Å; N919-S922 VanDerWaalsContact O-CB 3.22Å; N919-S922 WeakPolarHBondContact O-CB 3.31Å; N919-S922 PolarHBondContact O-N 2.79Å; A920-S922 VanDerWaalsContact C-N 3.34Å; A920-S922 PolarHBondContact O-N 3.41Å; S922-F986 WeakPolarHBondContact OG-CA 3.31Å; S922-S989 WeakPolarHBondContact OG-CB 3.34Å; S922-K993 PolarHBondContact O-NZ 3.14Å
923	F	90.5	Very high	87.1	Confident	7 Å²	7	28.2 Å²	28.2	3%	0.031	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.5	-179	-82.3	-76.2	0	0	0	115	N798 F802 L846 L872 V876 A879 N919 A920 L921 S925	N798-F923 WeakPolarHBondContact CB-O 3.41Å; F802-F923 HydrophobicContact CB-CB 4.06Å; F802-F923 HydrophobicContact CB-CD2 4Å; F802-F923 HydrophobicContact CB-CG 4.1Å; L846-F923 HydrophobicContact CD1-CB 4.38Å; L872-F923 HydrophobicContact CD1-CE1 3.86Å; V876-F923 HydrophobicContact CG2-CZ 4.11Å; A879-F923 HydrophobicContact CB-CE2 4.48Å; N919-F923 WeakPolarHBondContact O-CD2 3.29Å; N919-F923 PolarHBondContact O-N 3.2Å; N919-F923 VanDerWaalsContact O-N 3.11Å; N919-F923 WeakPolarHBondContact OD1-CD2 3.33Å; N919-F923 VanDerWaalsContact OD1-CE2 3.26Å; N919-F923 WeakPolarHBondContact OD1-CE2 3.37Å; A920-F923 PolarHBondContact O-N 3Å; L921-F923 PolarHBondContact O-N 3.43Å; F923-S925 PolarHBondContact O-N 2.67Å; F923-S925 VanDerWaalsContact O-N 3.12Å
924	R	89.5	Confident	86.3	Confident	3 Å²	3	29.5 Å²	29.5	1%	0.011	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.1	170.8	-78.5	-170.3	69.1	-154	-7	113.2	L846 E849 A920 L921 G934 F935 F941	L846-R924 HydrophobicContact CD2-CB 4.3Å; L846-R924 HydrophobicContact CD2-CG 3.63Å; E849-R924 IonicContact OE1-CZ 3.6Å; E849-R924 IonicContact OE1-NE 2.79Å; E849-R924 PolarHBondContact OE1-NE 3.43Å; E849-R924 IonicContact OE1-NH2 3.84Å; E849-R924 PolarHBondContact OE1-NH2 3.37Å; E849-R924 IonicContact OE2-NE 3.78Å; E849-R924 IonicContact OE2-NH2 3.73Å; A920-R924 PolarHBondContact O-N 3.14Å; L921-R924 WeakPolarHBondContact O-CB 3.5Å; L921-R924 PolarHBondContact O-N 2.96Å; R924-G934 PolarHBondContact NH1-O 3.44Å; R924-G934 PolarHBondContact NH2-O 3.35Å; R924-F935 PolarHBondContact NH1-O 3.24Å; R924-F935 VanDerWaalsContact NH1-O 3.09Å; R924-F941 HydrophobicContact CG-CD2 4.24Å; R924-F941 HydrophobicContact CG-CE1 4.48Å; R924-F941 HydrophobicContact CG-CE2 4.06Å; R924-F941 HydrophobicContact CG-CZ 4.2Å
925	S	84.6	Confident	85.4	Confident	8 Å²	8	32.7 Å²	32.7	6%	0.056	17%	0.172	C	C	.	.			trans	-152	137.6	167.8	-176.2	0	0	0	0	112	F923 N927 K928 K993	F923-S925 PolarHBondContact O-N 2.67Å; F923-S925 VanDerWaalsContact O-N 3.12Å; S925-N927 PolarHBondContact OG-N 2.85Å; S925-K928 PolarHBondContact OG-N 3.18Å; S925-K993 VanDerWaalsContact O-CE 3.23Å; S925-K993 WeakPolarHBondContact O-CE 3.39Å; S925-K993 PolarHBondContact O-NZ 3.31Å
926	Q	77.5	Confident	84.6	Confident	17 Å²	17	40.4 Å²	40.4	8%	0.079	21%	0.206	C	C	.	.	S	Bend	trans	-77.1	-21.7	175.4	-67.6	179.9	26.6	0	0	114.1	N798 R871	N798-Q926 WeakPolarHBondContact OD1-CG 3.28Å; N798-Q926 PolarHBondContact OD1-NE2 3.49Å; N798-Q926 VanDerWaalsContact OD1-NE2 3.14Å; R871-Q926 PolarHBondContact NH2-O 3.38Å
927	N	77.2	Confident	84	Confident	76 Å²	76	43.6 Å²	43.6	41%	0.406	23%	0.229	S	C	.	.	S	Bend	trans	-121.1	-36.3	-169.1	-65	-6.4	0	0	0	112.8	R871 S925	R871-N927 PolarHBondContact NH1-OD1 3.32Å; R871-N927 PolarHBondContact NH2-OD1 3.33Å; S925-N927 PolarHBondContact OG-N 2.85Å
928	K	79.9	Confident	83.6	Confident	87 Å²	87	43.9 Å²	43.9	38%	0.378	23%	0.23	S	C	.	.	S	Bend	trans	-96.3	145.9	-176	-63.6	-174.4	-176.6	-179.1	0	110.4	D852 S925 L933	D852-K928 IonicContact OD1-NZ 3.6Å; D852-K928 WeakPolarHBondContact OD2-CE 3.46Å; D852-K928 IonicContact OD2-NZ 3.21Å; D852-K928 PolarHBondContact OD2-NZ 2.98Å; S925-K928 PolarHBondContact OG-N 3.18Å; K928-L933 HydrophobicContact CB-CD1 3.84Å; K928-L933 HydrophobicContact CB-CG 4.28Å
929	S	82.9	Confident	83.4	Confident	24 Å²	24	52.2 Å²	52.2	17%	0.168	26%	0.26	C	S	.	.			trans	-69.5	147.5	172.4	73.4	0	0	0	0	110.3	F931 S932 L933 E990	S929-F931 PolarHBondContact O-N 2.84Å; S929-S932 PolarHBondContact N-OG 3.4Å; S929-S932 PolarHBondContact O-N 3.41Å; S929-S932 PolarHBondContact O-OG 3.28Å; S929-S932 WeakPolarHBondContact OG-CB 3.12Å; S929-S932 PolarHBondContact OG-N 2.69Å; S929-S932 VanDerWaalsContact OG-N 3.17Å; S929-S932 PolarHBondContact OG-OG 3.24Å; S929-L933 PolarHBondContact O-N 2.7Å; S929-E990 VanDerWaalsContact CA-OE2 3.27Å; S929-E990 WeakPolarHBondContact CA-OE2 3.46Å; S929-E990 VanDerWaalsContact CB-OE2 3.27Å; S929-E990 WeakPolarHBondContact CB-OE2 3.17Å
930	I	82.4	Confident	83.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-29.5	177.1	-71.6	156.6	0	0	0	111.3	L921 S932 L933 G934 F935 F986 E990	L921-I930 WeakPolarHBondContact O-CD1 3.27Å; I930-S932 VanDerWaalsContact C-N 3.27Å; I930-S932 PolarHBondContact O-N 2.75Å; I930-L933 PolarHBondContact O-N 3.37Å; I930-G934 PolarHBondContact O-N 2.98Å; I930-F935 HydrophobicContact CG2-CD1 3.89Å; I930-F935 HydrophobicContact CG2-CD2 4.2Å; I930-F935 HydrophobicContact CG2-CE1 3.64Å; I930-F935 HydrophobicContact CG2-CE2 3.96Å; I930-F935 HydrophobicContact CG2-CG 4.17Å; I930-F935 HydrophobicContact CG2-CZ 3.69Å; I930-F986 HydrophobicContact CB-CE2 4.5Å; I930-F986 HydrophobicContact CD1-CD2 4.03Å; I930-F986 HydrophobicContact CD1-CE2 3.4Å; I930-F986 VanDerWaalsContact CD1-CE2 3.4Å; I930-F986 HydrophobicContact CD1-CZ 4.36Å; I930-E990 HydrophobicContact CD1-CG 4.49Å; I930-E990 VanDerWaalsContact CD1-OE1 3.26Å; I930-E990 WeakPolarHBondContact CD1-OE1 3.48Å; I930-E990 WeakPolarHBondContact CG1-OE1 3.4Å; I930-E990 PolarHBondContact N-OE1 2.7Å; I930-E990 PolarHBondContact N-OE2 2.67Å
931	F	78.4	Confident	83.1	Confident	139 Å²	139	56.6 Å²	56.6	61%	0.61	28%	0.283	S	S	*	.	H	α-helix	trans	-62.6	-33.5	173.6	-58.7	-74.4	0	0	0	112.8	S929 F935	S929-F931 PolarHBondContact O-N 2.84Å; F931-F935 HydrophobicContact CD1-CE2 4.1Å; F931-F935 AromaticContact CE1-CE2 3.99Å; F931-F935 HydrophobicContact CE1-CE2 3.99Å; F931-F935 HydrophobicContact CE1-CZ 4.35Å
932	S	78.4	Confident	83.2	Confident	81 Å²	81	57.9 Å²	57.9	57%	0.566	29%	0.292	S	S	*	.	H	α-helix	trans	-79.6	-26.5	175.6	65.2	0	0	0	0	114	S929 I930	S929-S932 PolarHBondContact N-OG 3.4Å; S929-S932 PolarHBondContact O-N 3.41Å; S929-S932 PolarHBondContact O-OG 3.28Å; S929-S932 WeakPolarHBondContact OG-CB 3.12Å; S929-S932 PolarHBondContact OG-N 2.69Å; S929-S932 VanDerWaalsContact OG-N 3.17Å; S929-S932 PolarHBondContact OG-OG 3.24Å; I930-S932 VanDerWaalsContact C-N 3.27Å; I930-S932 PolarHBondContact O-N 2.75Å
933	L	76.8	Confident	83.3	Confident	46 Å²	46	62.8 Å²	62.8	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-84.1	-29.1	178.1	-81.1	148.7	0	0	0	112.8	K928 S929 I930 S937	K928-L933 HydrophobicContact CB-CD1 3.84Å; K928-L933 HydrophobicContact CB-CG 4.28Å; S929-L933 PolarHBondContact O-N 2.7Å; I930-L933 PolarHBondContact O-N 3.37Å; L933-S937 VanDerWaalsContact O-CB 3.28Å; L933-S937 WeakPolarHBondContact O-CB 3.22Å
934	G	76.6	Confident	83.4	Confident	28 Å²	28	62.9 Å²	62.9	29%	0.289	32%	0.32	S	S	.	.			trans	83.6	132.8	-171.8	0	0	0	0	0	112.6	R924 I930 F936 S937	R924-G934 PolarHBondContact NH1-O 3.44Å; R924-G934 PolarHBondContact NH2-O 3.35Å; I930-G934 PolarHBondContact O-N 2.98Å; G934-F936 VanDerWaalsContact C-N 3.32Å; G934-F936 PolarHBondContact O-N 2.88Å; G934-S937 PolarHBondContact O-N 3.2Å
935	F	76.6	Confident	83.5	Confident	84 Å²	84	63.5 Å²	63.5	37%	0.368	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.1	-180	-79.3	-88.1	0	0	0	112.9	L921 R924 I930 F931 F986	L921-F935 HydrophobicContact CD2-CD1 4.29Å; L921-F935 HydrophobicContact CD2-CE1 4.31Å; R924-F935 PolarHBondContact NH1-O 3.24Å; R924-F935 VanDerWaalsContact NH1-O 3.09Å; I930-F935 HydrophobicContact CG2-CD1 3.89Å; I930-F935 HydrophobicContact CG2-CD2 4.2Å; I930-F935 HydrophobicContact CG2-CE1 3.64Å; I930-F935 HydrophobicContact CG2-CE2 3.96Å; I930-F935 HydrophobicContact CG2-CG 4.17Å; I930-F935 HydrophobicContact CG2-CZ 3.69Å; F931-F935 HydrophobicContact CD1-CE2 4.1Å; F931-F935 AromaticContact CE1-CE2 3.99Å; F931-F935 HydrophobicContact CE1-CE2 3.99Å; F931-F935 HydrophobicContact CE1-CZ 4.35Å; F935-F986 HydrophobicContact CE1-CE2 4.46Å; F935-F986 HydrophobicContact CE1-CZ 4.33Å; F935-F986 HydrophobicContact CZ-CZ 4.04Å
936	F	79.2	Confident	83.9	Confident	163 Å²	163	65 Å²	65	72%	0.715	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	10.4	-175.4	-60.2	-75.2	0	0	0	114.8	G934 N938 V942	G934-F936 VanDerWaalsContact C-N 3.32Å; G934-F936 PolarHBondContact O-N 2.88Å; F936-N938 PolarHBondContact O-N 3.44Å; F936-V942 HydrophobicContact CD1-CG1 4.49Å; F936-V942 HydrophobicContact CD1-CG2 4.14Å; F936-V942 HydrophobicContact CE1-CG1 4.45Å
937	S	80.5	Confident	84.6	Confident	68 Å²	68	69.2 Å²	69.2	48%	0.476	36%	0.363	S	S	.	.	S	Bend	trans	-62.2	-43.3	-179.1	-178.2	0	0	0	0	111.6	L933 G934	L933-S937 VanDerWaalsContact O-CB 3.28Å; L933-S937 WeakPolarHBondContact O-CB 3.22Å; G934-S937 PolarHBondContact O-N 3.2Å
938	N	85.9	Confident	85.3	Confident	11 Å²	11	65.8 Å²	65.8	6%	0.059	35%	0.345	C	S	.	.			trans	-98.4	96.2	174.2	-173.4	-15.4	0	0	0	110.9	S845 E849 F936 L940 F941 V942	S845-N938 PolarHBondContact O-ND2 2.71Å; E849-N938 WeakPolarHBondContact OE2-CB 3.32Å; E849-N938 PolarHBondContact OE2-ND2 2.87Å; F936-N938 PolarHBondContact O-N 3.44Å; N938-L940 VanDerWaalsContact C-N 3.27Å; N938-L940 PolarHBondContact O-N 3.32Å; N938-L940 WeakPolarHBondContact OD1-CB 3.29Å; N938-L940 PolarHBondContact OD1-N 2.97Å; N938-L940 VanDerWaalsContact OD1-N 3.11Å; N938-F941 HydrophobicContact CB-CB 3.89Å; N938-F941 PolarHBondContact O-N 2.98Å; N938-F941 PolarHBondContact OD1-N 2.79Å; N938-V942 PolarHBondContact O-N 2.96Å
939	R	89	Confident	86	Confident	219 Å²	219	64.6 Å²	64.6	83%	0.826	34%	0.342	S	S	*	.	H	α-helix	trans	-62.2	-34.1	178.1	-64.8	-175.3	-177.3	-177.8	1	112.7	F941 V942 L943	R939-F941 VanDerWaalsContact C-N 3.34Å; R939-V942 PolarHBondContact O-N 3.44Å; R939-L943 WeakPolarHBondContact O-CB 3.31Å; R939-L943 PolarHBondContact O-N 3.31Å
940	L	88.4	Confident	86.5	Confident	88 Å²	88	69.2 Å²	69.2	46%	0.461	36%	0.359	S	S	.	.	H	α-helix	trans	-68.2	-37.7	179.9	-154.7	86.8	0	0	0	110.9	V848 N938 L943 A944	V848-L940 HydrophobicContact CG2-CB 4.32Å; V848-L940 HydrophobicContact CG2-CD2 3.56Å; N938-L940 VanDerWaalsContact C-N 3.27Å; N938-L940 PolarHBondContact O-N 3.32Å; N938-L940 WeakPolarHBondContact OD1-CB 3.29Å; N938-L940 PolarHBondContact OD1-N 2.97Å; N938-L940 VanDerWaalsContact OD1-N 3.11Å; L940-L943 PolarHBondContact O-N 3.4Å; L940-A944 VanDerWaalsContact O-CB 3.27Å; L940-A944 WeakPolarHBondContact O-CB 3.37Å; L940-A944 PolarHBondContact O-N 2.78Å
941	F	91.1	Very high	86.9	Confident	5 Å²	5	69.9 Å²	69.9	2%	0.022	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-48.3	174.4	178.9	-87.9	0	0	0	112.1	S845 L846 A920 L921 R924 N938 R939 L943 A944 V945	S845-F941 WeakPolarHBondContact OG-CA 3.32Å; S845-F941 VanDerWaalsContact OG-CD2 3.23Å; S845-F941 WeakPolarHBondContact OG-CD2 3.01Å; L846-F941 HydrophobicContact CD2-CD2 3.92Å; L846-F941 HydrophobicContact CD2-CE2 3.79Å; L846-F941 HydrophobicContact CG-CD2 4.21Å; L846-F941 HydrophobicContact CG-CE2 4.13Å; A920-F941 HydrophobicContact CB-CE2 4.12Å; A920-F941 HydrophobicContact CB-CZ 4.19Å; L921-F941 HydrophobicContact CD2-CE1 3.81Å; L921-F941 HydrophobicContact CD2-CZ 4.27Å; L921-F941 HydrophobicContact CG-CE1 3.94Å; L921-F941 HydrophobicContact CG-CZ 3.96Å; R924-F941 HydrophobicContact CG-CD2 4.24Å; R924-F941 HydrophobicContact CG-CE1 4.48Å; R924-F941 HydrophobicContact CG-CE2 4.06Å; R924-F941 HydrophobicContact CG-CZ 4.2Å; N938-F941 HydrophobicContact CB-CB 3.89Å; N938-F941 PolarHBondContact O-N 2.98Å; N938-F941 PolarHBondContact OD1-N 2.79Å; R939-F941 VanDerWaalsContact C-N 3.34Å; F941-L943 VanDerWaalsContact C-N 3.29Å; F941-L943 PolarHBondContact O-N 2.88Å; F941-A944 PolarHBondContact O-N 2.95Å; F941-V945 HydrophobicContact CD1-CG2 4.21Å; F941-V945 HydrophobicContact CD2-CG2 4.41Å; F941-V945 HydrophobicContact CE1-CG2 3.75Å; F941-V945 HydrophobicContact CE2-CG2 3.96Å; F941-V945 HydrophobicContact CZ-CG2 3.6Å; F941-V945 WeakPolarHBondContact O-CG2 3.45Å; F941-V945 PolarHBondContact O-N 3.37Å
942	V	91.5	Very high	87.7	Confident	58 Å²	58	63.5 Å²	63.5	35%	0.352	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-41.3	178.5	178.9	0	0	0	0	110.9	F936 N938 R939 G946	F936-V942 HydrophobicContact CD1-CG1 4.49Å; F936-V942 HydrophobicContact CD1-CG2 4.14Å; F936-V942 HydrophobicContact CE1-CG1 4.45Å; N938-V942 PolarHBondContact O-N 2.96Å; R939-V942 PolarHBondContact O-N 3.44Å; V942-G946 PolarHBondContact O-N 2.89Å
943	L	93.1	Very high	88.4	Confident	106 Å²	106	63.1 Å²	63.1	56%	0.555	33%	0.33	S	S	*	.	H	α-helix	trans	-64.9	-45.1	176	-177.1	67.2	0	0	0	112	R939 L940 F941 G946 L947	R939-L943 WeakPolarHBondContact O-CB 3.31Å; R939-L943 PolarHBondContact O-N 3.31Å; L940-L943 PolarHBondContact O-N 3.4Å; F941-L943 VanDerWaalsContact C-N 3.29Å; F941-L943 PolarHBondContact O-N 2.88Å; L943-G946 PolarHBondContact O-N 3.43Å; L943-L947 HydrophobicContact CD1-CD1 4.1Å; L943-L947 HydrophobicContact CD1-CG 4.4Å; L943-L947 HydrophobicContact CG-CD1 3.93Å; L943-L947 WeakPolarHBondContact O-CB 3.37Å; L943-L947 WeakPolarHBondContact O-CG 3.27Å; L943-L947 PolarHBondContact O-N 3.21Å
944	A	92.1	Very high	89.1	Confident	9 Å²	9	64.1 Å²	64.1	7%	0.074	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-47.5	-178.7	0	0	0	0	0	111.8	P841 L940 F941 G946 L947 S948	P841-A944 HydrophobicContact CB-CB 4.26Å; L940-A944 VanDerWaalsContact O-CB 3.27Å; L940-A944 WeakPolarHBondContact O-CB 3.37Å; L940-A944 PolarHBondContact O-N 2.78Å; F941-A944 PolarHBondContact O-N 2.95Å; A944-G946 VanDerWaalsContact C-N 3.35Å; A944-L947 PolarHBondContact O-N 2.99Å; A944-S948 WeakPolarHBondContact O-CB 3.38Å; A944-S948 PolarHBondContact O-N 3.46Å; A944-S948 PolarHBondContact O-OG 2.88Å
945	V	92	Very high	89.8	Confident	17 Å²	17	63 Å²	63	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-41.4	176	174	0	0	0	0	110.6	P842 M917 F941 S948 L949	P842-V945 HydrophobicContact CB-CG2 4.45Å; P842-V945 HydrophobicContact CG-CG2 4.46Å; M917-V945 HydrophobicContact CB-CG1 4.39Å; M917-V945 HydrophobicContact SD-CG1 4.06Å; M917-V945 HydrophobicContact SD-CG2 4.49Å; F941-V945 HydrophobicContact CD1-CG2 4.21Å; F941-V945 HydrophobicContact CD2-CG2 4.41Å; F941-V945 HydrophobicContact CE1-CG2 3.75Å; F941-V945 HydrophobicContact CE2-CG2 3.96Å; F941-V945 HydrophobicContact CZ-CG2 3.6Å; F941-V945 WeakPolarHBondContact O-CG2 3.45Å; F941-V945 PolarHBondContact O-N 3.37Å; V945-S948 PolarHBondContact O-N 3.42Å; V945-L949 HydrophobicContact CG1-CD1 4.06Å; V945-L949 HydrophobicContact CG1-CG 4.43Å; V945-L949 WeakPolarHBondContact O-CG 3.27Å; V945-L949 PolarHBondContact O-N 3.21Å
946	G	92.9	Very high	90.5	Very high	38 Å²	38	59 Å²	59	39%	0.392	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-45.4	176.5	0	0	0	0	0	113.2	V942 L943 A944 S948 F950	V942-G946 PolarHBondContact O-N 2.89Å; L943-G946 PolarHBondContact O-N 3.43Å; A944-G946 VanDerWaalsContact C-N 3.35Å; G946-S948 VanDerWaalsContact C-N 3.34Å; G946-F950 WeakPolarHBondContact O-CB 3.49Å; G946-F950 PolarHBondContact O-N 3.11Å
947	L	92.4	Very high	91.2	Very high	106 Å²	106	55.9 Å²	55.9	56%	0.555	29%	0.289	S	S	*	.	H	α-helix	trans	-65.6	-36.6	175.3	-79.3	166.5	0	0	0	112.3	L943 A944 F950 G951	L943-L947 HydrophobicContact CD1-CD1 4.1Å; L943-L947 HydrophobicContact CD1-CG 4.4Å; L943-L947 HydrophobicContact CG-CD1 3.93Å; L943-L947 WeakPolarHBondContact O-CB 3.37Å; L943-L947 WeakPolarHBondContact O-CG 3.27Å; L943-L947 PolarHBondContact O-N 3.21Å; A944-L947 PolarHBondContact O-N 2.99Å; L947-F950 PolarHBondContact O-N 3.49Å; L947-G951 PolarHBondContact O-N 2.99Å
948	S	92.4	Very high	91.7	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.035	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-46.8	177.9	-55.4	0	0	0	0	110.8	M838 A944 V945 G946 F950 G951 Q952	M838-S948 WeakPolarHBondContact CE-O 3.37Å; A944-S948 WeakPolarHBondContact O-CB 3.38Å; A944-S948 PolarHBondContact O-N 3.46Å; A944-S948 PolarHBondContact O-OG 2.88Å; V945-S948 PolarHBondContact O-N 3.42Å; G946-S948 VanDerWaalsContact C-N 3.34Å; S948-F950 VanDerWaalsContact C-N 3.32Å; S948-F950 PolarHBondContact O-N 3.46Å; S948-G951 PolarHBondContact O-N 3.39Å; S948-G951 VanDerWaalsContact O-N 3.17Å; S948-Q952 PolarHBondContact O-N 3.47Å
949	L	93.3	Very high	91.8	Very high	61 Å²	61	61 Å²	61	32%	0.319	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-39.6	174	-71	172.5	0	0	0	112.2	L914 M917 V945 Q952 L953	L914-L949 HydrophobicContact CD2-CD2 3.64Å; M917-L949 HydrophobicContact CB-CD2 4.43Å; M917-L949 HydrophobicContact CG-CD2 3.82Å; M917-L949 HydrophobicContact CG-CG 4.23Å; V945-L949 HydrophobicContact CG1-CD1 4.06Å; V945-L949 HydrophobicContact CG1-CG 4.43Å; V945-L949 WeakPolarHBondContact O-CG 3.27Å; V945-L949 PolarHBondContact O-N 3.21Å; L949-Q952 PolarHBondContact O-N 2.88Å; L949-L953 WeakPolarHBondContact O-CG 3.46Å; L949-L953 PolarHBondContact O-N 3.46Å
950	F	93.7	Very high	91.7	Very high	121 Å²	121	54.1 Å²	54.1	53%	0.531	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-42.1	174.1	-178.8	-105.7	0	0	0	112.1	G946 L947 S948 Q952 L953 L954	G946-F950 WeakPolarHBondContact O-CB 3.49Å; G946-F950 PolarHBondContact O-N 3.11Å; L947-F950 PolarHBondContact O-N 3.49Å; S948-F950 VanDerWaalsContact C-N 3.32Å; S948-F950 PolarHBondContact O-N 3.46Å; F950-Q952 VanDerWaalsContact C-N 3.33Å; F950-Q952 PolarHBondContact O-N 3.35Å; F950-L953 PolarHBondContact O-N 2.83Å; F950-L954 HydrophobicContact CD1-CD1 3.98Å; F950-L954 HydrophobicContact CD1-CG 4.49Å; F950-L954 HydrophobicContact CE1-CD1 3.5Å; F950-L954 VanDerWaalsContact CE1-CD1 3.5Å; F950-L954 HydrophobicContact CE1-CG 4.08Å; F950-L954 HydrophobicContact CZ-CD1 4.03Å; F950-L954 HydrophobicContact CZ-CD2 4.4Å; F950-L954 HydrophobicContact CZ-CG 4.19Å; F950-L954 PolarHBondContact O-N 2.88Å
951	G	91.7	Very high	91.4	Very high	15 Å²	15	52.4 Å²	52.4	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-42.4	172.9	0	0	0	0	0	112.5	L947 S948 L953 L954 V955	L947-G951 PolarHBondContact O-N 2.99Å; S948-G951 PolarHBondContact O-N 3.39Å; S948-G951 VanDerWaalsContact O-N 3.17Å; G951-L953 PolarHBondContact O-N 2.88Å; G951-L954 WeakPolarHBondContact O-CB 3.5Å; G951-L954 PolarHBondContact O-N 2.93Å; G951-V955 PolarHBondContact O-N 3.24Å
952	Q	93.7	Very high	91.2	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.023	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-43.5	175.2	-176.2	63.1	13.5	0	0	111.7	F833 M838 T910 V913 S948 L949 F950 L954 V955 I956	F833-Q952 VanDerWaalsContact CE1-OE1 3.26Å; M838-Q952 HydrophobicContact CE-CB 4.4Å; T910-Q952 HydrophobicContact CG2-CG 4.4Å; T910-Q952 PolarHBondContact OG1-NE2 3.32Å; V913-Q952 HydrophobicContact CG1-CB 4.31Å; V913-Q952 HydrophobicContact CG1-CG 4.02Å; S948-Q952 PolarHBondContact O-N 3.47Å; L949-Q952 PolarHBondContact O-N 2.88Å; F950-Q952 VanDerWaalsContact C-N 3.33Å; F950-Q952 PolarHBondContact O-N 3.35Å; Q952-L954 VanDerWaalsContact C-N 3.31Å; Q952-L954 PolarHBondContact O-N 3.24Å; Q952-V955 PolarHBondContact O-N 2.89Å; Q952-I956 HydrophobicContact CG-CD1 3.82Å; Q952-I956 WeakPolarHBondContact O-CD1 3.33Å; Q952-I956 VanDerWaalsContact O-CG1 3.28Å; Q952-I956 WeakPolarHBondContact O-CG1 3.29Å; Q952-I956 PolarHBondContact O-N 3.46Å
953	L	93.5	Very high	90.6	Very high	73 Å²	73	55.1 Å²	55.1	38%	0.382	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-38.2	175.9	-68.8	170	0	0	0	111.8	L949 F950 G951 I956 Y957	L949-L953 WeakPolarHBondContact O-CG 3.46Å; L949-L953 PolarHBondContact O-N 3.46Å; F950-L953 PolarHBondContact O-N 2.83Å; G951-L953 PolarHBondContact O-N 2.88Å; L953-I956 PolarHBondContact O-N 3.09Å; L953-Y957 HydrophobicContact CB-CD2 4.44Å; L953-Y957 HydrophobicContact CD2-CD2 4.22Å; L953-Y957 HydrophobicContact CD2-CE2 3.82Å; L953-Y957 WeakPolarHBondContact O-CB 3.18Å; L953-Y957 VanDerWaalsContact O-CD2 3.3Å; L953-Y957 WeakPolarHBondContact O-CD2 3.01Å; L953-Y957 PolarHBondContact O-N 3.26Å
954	L	92.3	Very high	89.9	Confident	67 Å²	67	54 Å²	54	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-42.4	173.5	-76.8	174	0	0	0	111.9	F950 G951 Q952 I956 Y957 F958 L961	F950-L954 HydrophobicContact CD1-CD1 3.98Å; F950-L954 HydrophobicContact CD1-CG 4.49Å; F950-L954 HydrophobicContact CE1-CD1 3.5Å; F950-L954 VanDerWaalsContact CE1-CD1 3.5Å; F950-L954 HydrophobicContact CE1-CG 4.08Å; F950-L954 HydrophobicContact CZ-CD1 4.03Å; F950-L954 HydrophobicContact CZ-CD2 4.4Å; F950-L954 HydrophobicContact CZ-CG 4.19Å; F950-L954 PolarHBondContact O-N 2.88Å; G951-L954 WeakPolarHBondContact O-CB 3.5Å; G951-L954 PolarHBondContact O-N 2.93Å; Q952-L954 VanDerWaalsContact C-N 3.31Å; Q952-L954 PolarHBondContact O-N 3.24Å; L954-I956 VanDerWaalsContact C-N 3.27Å; L954-I956 PolarHBondContact O-N 2.91Å; L954-Y957 PolarHBondContact O-N 3.4Å; L954-F958 HydrophobicContact CD2-CB 4.34Å; L954-F958 WeakPolarHBondContact O-CA 3.5Å; L954-F958 WeakPolarHBondContact O-CB 3.46Å; L954-F958 PolarHBondContact O-N 2.79Å; L954-L961 HydrophobicContact CB-CD1 3.9Å
955	V	89.9	Confident	89.3	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-34.3	177	171.5	0	0	0	0	112.1	F833 F909 G951 Q952 L961 Q962 F965 T967	F833-V955 HydrophobicContact CD2-CG2 4.34Å; F833-V955 HydrophobicContact CE1-CG2 4.37Å; F833-V955 HydrophobicContact CE2-CG2 3.5Å; F833-V955 HydrophobicContact CZ-CB 4.4Å; F833-V955 HydrophobicContact CZ-CG2 3.5Å; F909-V955 HydrophobicContact CE1-CG1 4Å; G951-V955 PolarHBondContact O-N 3.24Å; Q952-V955 PolarHBondContact O-N 2.89Å; V955-L961 HydrophobicContact CG2-CD1 4.44Å; V955-Q962 WeakPolarHBondContact O-CG 3.49Å; V955-F965 HydrophobicContact CG1-CB 3.78Å; V955-F965 HydrophobicContact CG1-CD2 3.95Å; V955-F965 HydrophobicContact CG1-CG 3.95Å; V955-F965 HydrophobicContact CG2-CD2 4.01Å; V955-F965 HydrophobicContact CG2-CE2 4.2Å; V955-T967 HydrophobicContact CG1-CG2 4Å; V955-T967 PolarHBondContact O-OG1 2.79Å
956	I	92.9	Very high	88.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-82.1	-30	-178.5	-61.4	161.1	0	0	0	112.4	T906 T910 Q952 L953 L954 Q962 A969 L970	T906-I956 HydrophobicContact CG2-CG1 4.22Å; T906-I956 HydrophobicContact CG2-CG2 4.42Å; T910-I956 HydrophobicContact CG2-CD1 3.71Å; T910-I956 VanDerWaalsContact OG1-CD1 3.28Å; T910-I956 WeakPolarHBondContact OG1-CD1 3.17Å; Q952-I956 HydrophobicContact CG-CD1 3.82Å; Q952-I956 WeakPolarHBondContact O-CD1 3.33Å; Q952-I956 VanDerWaalsContact O-CG1 3.28Å; Q952-I956 WeakPolarHBondContact O-CG1 3.29Å; Q952-I956 PolarHBondContact O-N 3.46Å; L953-I956 PolarHBondContact O-N 3.09Å; L954-I956 VanDerWaalsContact C-N 3.27Å; L954-I956 PolarHBondContact O-N 2.91Å; I956-Q962 PolarHBondContact O-NE2 3.42Å; I956-A969 WeakPolarHBondContact O-CA 3.41Å; I956-L970 HydrophobicContact CD1-CD1 4.24Å; I956-L970 HydrophobicContact CG2-CB 4.16Å; I956-L970 HydrophobicContact CG2-CD1 4.33Å; I956-L970 HydrophobicContact CG2-CG 4.06Å
957	Y	93.4	Very high	88.5	Confident	99 Å²	99	58.4 Å²	58.4	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-116.2	-13	-171.8	-66.4	-66.8	0	0	0	115.5	L953 L954 A969 L970 L975	L953-Y957 HydrophobicContact CB-CD2 4.44Å; L953-Y957 HydrophobicContact CD2-CD2 4.22Å; L953-Y957 HydrophobicContact CD2-CE2 3.82Å; L953-Y957 WeakPolarHBondContact O-CB 3.18Å; L953-Y957 VanDerWaalsContact O-CD2 3.3Å; L953-Y957 WeakPolarHBondContact O-CD2 3.01Å; L953-Y957 PolarHBondContact O-N 3.26Å; L954-Y957 PolarHBondContact O-N 3.4Å; Y957-A969 HydrophobicContact CD1-CB 3.9Å; Y957-A969 HydrophobicContact CE1-CB 3.96Å; Y957-L970 WeakPolarHBondContact CE1-O 3.39Å; Y957-L970 PolarHBondContact OH-O 3.43Å; Y957-L975 WeakPolarHBondContact OH-CD1 3.47Å
958	F	91.3	Very high	88.4	Confident	102 Å²	102	57.6 Å²	57.6	45%	0.447	31%	0.307	S	S	.	.			trans	-96.3	115.3	-178.4	-169.3	-125.3	0	0	0	111.3	L954 P960 L961 Q962	L954-F958 HydrophobicContact CD2-CB 4.34Å; L954-F958 WeakPolarHBondContact O-CA 3.5Å; L954-F958 WeakPolarHBondContact O-CB 3.46Å; L954-F958 PolarHBondContact O-N 2.79Å; F958-P960 VanDerWaalsContact C-CD 3.5Å; F958-P960 HydrophobicContact CD1-CB 4.25Å; F958-P960 HydrophobicContact CD1-CG 4.02Å; F958-P960 HydrophobicContact CE1-CB 3.92Å; F958-P960 HydrophobicContact CE1-CG 3.52Å; F958-P960 HydrophobicContact CE2-CG 4.28Å; F958-P960 HydrophobicContact CZ-CG 3.66Å; F958-L961 HydrophobicContact CB-CD1 4.24Å; F958-L961 HydrophobicContact CD1-CB 4.38Å; F958-L961 HydrophobicContact CD1-CD1 3.8Å; F958-L961 HydrophobicContact CD1-CG 3.9Å; F958-L961 PolarHBondContact O-N 3.34Å; F958-Q962 PolarHBondContact O-N 2.95Å
959	P	86.8	Confident	88.4	Confident	84 Å²	84	59.7 Å²	59.7	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-55.9	-39.7	-169.9	-24	31	0	0	0	116.2	L961 Q962 A963	P959-L961 VanDerWaalsContact C-N 3.31Å; P959-L961 PolarHBondContact O-N 3.07Å; P959-Q962 PolarHBondContact O-N 3.26Å; P959-A963 PolarHBondContact O-N 3.47Å; P959-A963 VanDerWaalsContact O-N 3.13Å
960	P	86.7	Confident	88.3	Confident	75 Å²	75	57 Å²	57	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-37.9	176.3	-23.8	34.7	0	0	0	113	F958 V964	F958-P960 VanDerWaalsContact C-CD 3.5Å; F958-P960 HydrophobicContact CD1-CB 4.25Å; F958-P960 HydrophobicContact CD1-CG 4.02Å; F958-P960 HydrophobicContact CE1-CB 3.92Å; F958-P960 HydrophobicContact CE1-CG 3.52Å; F958-P960 HydrophobicContact CE2-CG 4.28Å; F958-P960 HydrophobicContact CZ-CG 3.66Å; P960-V964 WeakPolarHBondContact O-CG2 3.38Å
961	L	82.9	Confident	88.2	Confident	52 Å²	52	54.9 Å²	54.9	27%	0.272	31%	0.308	S	S	.	.	H	α-helix	trans	-75.2	-36.9	177.8	-72.1	167.9	0	0	0	111	L954 V955 F958 P959 A963 V964 F965	L954-L961 HydrophobicContact CB-CD1 3.9Å; V955-L961 HydrophobicContact CG2-CD1 4.44Å; F958-L961 HydrophobicContact CB-CD1 4.24Å; F958-L961 HydrophobicContact CD1-CB 4.38Å; F958-L961 HydrophobicContact CD1-CD1 3.8Å; F958-L961 HydrophobicContact CD1-CG 3.9Å; F958-L961 PolarHBondContact O-N 3.34Å; P959-L961 VanDerWaalsContact C-N 3.31Å; P959-L961 PolarHBondContact O-N 3.07Å; L961-A963 VanDerWaalsContact C-N 3.26Å; L961-A963 PolarHBondContact O-N 2.55Å; L961-V964 PolarHBondContact O-N 2.85Å; L961-V964 VanDerWaalsContact O-N 3.14Å; L961-F965 HydrophobicContact CB-CD2 4.41Å; L961-F965 HydrophobicContact CD2-CD2 4.25Å; L961-F965 HydrophobicContact CD2-CE2 3.83Å; L961-F965 WeakPolarHBondContact O-CD2 3.22Å; L961-F965 PolarHBondContact O-N 3.29Å
962	Q	86.4	Confident	88.2	Confident	40 Å²	40	60.8 Å²	60.8	19%	0.187	34%	0.335	C	S	.	.	H	α-helix	trans	-56.2	-40.5	173.7	-76.4	-179.3	-36.1	0	0	112.4	V955 I956 F958 P959 Q966 T967	V955-Q962 WeakPolarHBondContact O-CG 3.49Å; I956-Q962 PolarHBondContact O-NE2 3.42Å; F958-Q962 PolarHBondContact O-N 2.95Å; P959-Q962 PolarHBondContact O-N 3.26Å; Q962-Q966 WeakPolarHBondContact O-CA 3.1Å; Q962-Q966 PolarHBondContact O-N 2.95Å; Q962-T967 WeakPolarHBondContact CA-OG1 3.41Å; Q962-T967 WeakPolarHBondContact CB-O 3.48Å; Q962-T967 WeakPolarHBondContact CG-O 3.39Å; Q962-T967 PolarHBondContact O-N 2.9Å; Q962-T967 VanDerWaalsContact O-N 3.08Å
963	A	79.8	Confident	88.2	Confident	80 Å²	80	68.9 Å²	68.9	66%	0.661	37%	0.37	S	S	*	.	H	α-helix	trans	-65.3	-38.7	177.4	0	0	0	0	0	112.9	P959 L961	P959-A963 PolarHBondContact O-N 3.47Å; P959-A963 VanDerWaalsContact O-N 3.13Å; L961-A963 VanDerWaalsContact C-N 3.26Å; L961-A963 PolarHBondContact O-N 2.55Å
964	V	78.4	Confident	88.1	Confident	81 Å²	81	66.5 Å²	66.5	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-75	-42.3	-178.8	175.7	0	0	0	0	111.8	M829 P960 L961	M829-V964 HydrophobicContact CE-CG1 4.13Å; P960-V964 WeakPolarHBondContact O-CG2 3.38Å; L961-V964 PolarHBondContact O-N 2.85Å; L961-V964 VanDerWaalsContact O-N 3.14Å
965	F	78.7	Confident	88.2	Confident	26 Å²	26	65 Å²	65	11%	0.114	35%	0.35	C	S	.	.	H	α-helix	trans	-94.2	-1.9	-176.5	-68.2	-74.8	0	0	0	113.9	N827 M829 Q830 F833 V955 L961 T967	N827-F965 PolarHBondContact ND2-O 3.18Å; M829-F965 HydrophobicContact CB-CD1 4.22Å; M829-F965 HydrophobicContact CE-CE1 4.42Å; Q830-F965 PolarHBondContact NE2-O 3.13Å; F833-F965 HydrophobicContact CB-CD1 4.3Å; F833-F965 HydrophobicContact CB-CE1 3.82Å; F833-F965 HydrophobicContact CD2-CD1 4.48Å; F833-F965 AromaticContact CD2-CE1 3.78Å; F833-F965 HydrophobicContact CD2-CE1 3.78Å; F833-F965 HydrophobicContact CD2-CE2 4.36Å; F833-F965 AromaticContact CD2-CZ 3.7Å; F833-F965 HydrophobicContact CD2-CZ 3.7Å; F833-F965 HydrophobicContact CE2-CZ 4.36Å; F833-F965 HydrophobicContact CG-CE1 4.15Å; V955-F965 HydrophobicContact CG1-CB 3.78Å; V955-F965 HydrophobicContact CG1-CD2 3.95Å; V955-F965 HydrophobicContact CG1-CG 3.95Å; V955-F965 HydrophobicContact CG2-CD2 4.01Å; V955-F965 HydrophobicContact CG2-CE2 4.2Å; L961-F965 HydrophobicContact CB-CD2 4.41Å; L961-F965 HydrophobicContact CD2-CD2 4.25Å; L961-F965 HydrophobicContact CD2-CE2 3.83Å; L961-F965 WeakPolarHBondContact O-CD2 3.22Å; L961-F965 PolarHBondContact O-N 3.29Å; F965-T967 HydrophobicContact CB-CG2 4.2Å
966	Q	81.6	Confident	88.4	Confident	120 Å²	120	68.9 Å²	68.9	56%	0.561	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	48.5	-178.3	-57.5	174.5	-14.8	0	0	112.2	N827 Q962	N827-Q966 PolarHBondContact ND2-OE1 3.15Å; Q962-Q966 WeakPolarHBondContact O-CA 3.1Å; Q962-Q966 PolarHBondContact O-N 2.95Å
967	T	87.5	Confident	88.5	Confident	11 Å²	11	71.2 Å²	71.2	7%	0.067	39%	0.386	C	S	.	.			trans	-110.3	157	-177.6	48.4	0	0	0	0	112.8	T906 F909 V955 Q962 F965	T906-T967 HydrophobicContact CG2-CG2 4.04Å; T906-T967 VanDerWaalsContact OG1-CA 3.29Å; T906-T967 WeakPolarHBondContact OG1-CA 3.3Å; F909-T967 HydrophobicContact CD1-CG2 4.04Å; F909-T967 HydrophobicContact CE1-CG2 4.2Å; V955-T967 HydrophobicContact CG1-CG2 4Å; V955-T967 PolarHBondContact O-OG1 2.79Å; Q962-T967 WeakPolarHBondContact CA-OG1 3.41Å; Q962-T967 WeakPolarHBondContact CB-O 3.48Å; Q962-T967 WeakPolarHBondContact CG-O 3.39Å; Q962-T967 PolarHBondContact O-N 2.9Å; Q962-T967 VanDerWaalsContact O-N 3.08Å; F965-T967 HydrophobicContact CB-CG2 4.2Å
968	E	89.7	Confident	88.6	Confident	90 Å²	90	66.5 Å²	66.5	42%	0.421	37%	0.367	S	S	.	.			trans	-123.3	154.4	177.6	-169.4	171.3	-177.8	0	0	111.5	P902 H903 T906 L970	P902-E968 HydrophobicContact CB-CB 4.31Å; H903-E968 PolarHBondContact N-OE2 3.26Å; T906-E968 VanDerWaalsContact CG2-O 3.31Å; T906-E968 WeakPolarHBondContact CG2-O 3.3Å; T906-E968 PolarHBondContact OG1-N 3.19Å; E968-L970 PolarHBondContact O-N 3.19Å
969	A	91.8	Very high	88.8	Confident	48 Å²	48	64.8 Å²	64.8	40%	0.397	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-68.8	124.4	-177.8	0	0	0	0	0	111.8	I956 Y957	I956-A969 WeakPolarHBondContact O-CA 3.41Å; Y957-A969 HydrophobicContact CD1-CB 3.9Å; Y957-A969 HydrophobicContact CE1-CB 3.96Å
970	L	91.6	Very high	89.2	Confident	6 Å²	6	65 Å²	65	3%	0.031	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-83.4	148.2	176.4	-68.8	173.9	0	0	0	112.1	T906 M907 T910 I956 Y957 E968 D974 L978	T906-L970 HydrophobicContact CG2-CD1 4.26Å; T906-L970 HydrophobicContact CG2-CD2 4.48Å; T906-L970 HydrophobicContact CG2-CG 4.15Å; M907-L970 HydrophobicContact CG-CD2 3.59Å; M907-L970 HydrophobicContact SD-CD1 4.41Å; M907-L970 HydrophobicContact SD-CD2 3.63Å; T910-L970 HydrophobicContact CG2-CD1 4Å; I956-L970 HydrophobicContact CD1-CD1 4.24Å; I956-L970 HydrophobicContact CG2-CB 4.16Å; I956-L970 HydrophobicContact CG2-CD1 4.33Å; I956-L970 HydrophobicContact CG2-CG 4.06Å; Y957-L970 WeakPolarHBondContact CE1-O 3.39Å; Y957-L970 PolarHBondContact OH-O 3.43Å; E968-L970 PolarHBondContact O-N 3.19Å; L970-D974 HydrophobicContact CB-CB 4.3Å; L970-D974 HydrophobicContact CD2-CB 4.26Å; L970-L978 HydrophobicContact CD1-CD1 4.23Å
971	T	92.2	Very high	89.6	Confident	76 Å²	76	62.9 Å²	62.9	47%	0.466	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-79.8	162.2	174.2	70.6	0	0	0	0	111.6	K973 D974 L975	T971-K973 PolarHBondContact O-N 3.1Å; T971-D974 WeakPolarHBondContact CB-OD2 3.47Å; T971-D974 PolarHBondContact N-OD2 3.26Å; T971-D974 WeakPolarHBondContact O-CB 3.43Å; T971-D974 PolarHBondContact O-N 2.8Å; T971-D974 VanDerWaalsContact O-N 3.16Å; T971-D974 PolarHBondContact OG1-N 2.99Å; T971-D974 PolarHBondContact OG1-OD1 3.21Å; T971-D974 PolarHBondContact OG1-OD2 2.93Å; T971-L975 PolarHBondContact O-N 2.81Å; T971-L975 VanDerWaalsContact O-N 3.15Å
972	L	91.4	Very high	90.2	Very high	139 Å²	139	60.4 Å²	60.4	73%	0.728	34%	0.339	S	S	*	.	H	α-helix	trans	-59.7	-32.9	176.1	-161.4	91.9	0	0	0	112.2	D974 L975 V976	L972-D974 VanDerWaalsContact C-N 3.35Å; L972-L975 PolarHBondContact O-N 2.81Å; L972-V976 WeakPolarHBondContact O-CG2 3.16Å; L972-V976 PolarHBondContact O-N 2.9Å; L972-V976 VanDerWaalsContact O-N 3.07Å
973	K	93.1	Very high	90.6	Very high	175 Å²	175	59.7 Å²	59.7	76%	0.761	34%	0.338	S	S	*	.	H	α-helix	trans	-65.7	-40.9	177.9	-69.9	-176.4	-179.7	177.6	0	111.3	T971 V976 L977	T971-K973 PolarHBondContact O-N 3.1Å; K973-V976 PolarHBondContact O-N 2.84Å; K973-L977 WeakPolarHBondContact O-CB 3.2Å; K973-L977 PolarHBondContact O-N 3.28Å
974	D	92.2	Very high	91.3	Very high	22 Å²	22	57.6 Å²	57.6	12%	0.118	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-47.6	177.6	-58.5	-27.8	0	0	0	110.4	H903 M907 L970 T971 L972 V976 L977 L978	H903-D974 IonicContact NE2-OD2 3.09Å; H903-D974 PolarHBondContact NE2-OD2 3.38Å; M907-D974 HydrophobicContact CE-CB 4.13Å; M907-D974 HydrophobicContact SD-CB 3.68Å; L970-D974 HydrophobicContact CB-CB 4.3Å; L970-D974 HydrophobicContact CD2-CB 4.26Å; T971-D974 WeakPolarHBondContact CB-OD2 3.47Å; T971-D974 PolarHBondContact N-OD2 3.26Å; T971-D974 WeakPolarHBondContact O-CB 3.43Å; T971-D974 PolarHBondContact O-N 2.8Å; T971-D974 VanDerWaalsContact O-N 3.16Å; T971-D974 PolarHBondContact OG1-N 2.99Å; T971-D974 PolarHBondContact OG1-OD1 3.21Å; T971-D974 PolarHBondContact OG1-OD2 2.93Å; L972-D974 VanDerWaalsContact C-N 3.35Å; D974-V976 PolarHBondContact O-N 3.43Å; D974-L977 WeakPolarHBondContact O-CB 3.27Å; D974-L977 PolarHBondContact O-N 3.36Å; D974-L978 VanDerWaalsContact O-CG 3.28Å; D974-L978 WeakPolarHBondContact O-CG 3.44Å; D974-L978 PolarHBondContact O-N 2.99Å
975	L	93.5	Very high	92	Very high	36 Å²	36	53.9 Å²	53.9	19%	0.188	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-44.3	176.6	-77.2	169.4	0	0	0	112.8	Y957 T971 L972 L978 V979	Y957-L975 WeakPolarHBondContact OH-CD1 3.47Å; T971-L975 PolarHBondContact O-N 2.81Å; T971-L975 VanDerWaalsContact O-N 3.15Å; L972-L975 PolarHBondContact O-N 2.81Å; L975-L978 PolarHBondContact O-N 2.8Å; L975-V979 VanDerWaalsContact O-CG2 3.31Å; L975-V979 WeakPolarHBondContact O-CG2 3.07Å; L975-V979 PolarHBondContact O-N 2.77Å
976	V	94.6	Very high	92.6	Very high	85 Å²	85	53.4 Å²	53.4	52%	0.515	29%	0.294	S	S	.	.	H	α-helix	trans	-64	-42.9	178.7	171	0	0	0	0	111.3	L972 K973 D974 V979 C980	L972-V976 WeakPolarHBondContact O-CG2 3.16Å; L972-V976 PolarHBondContact O-N 2.9Å; L972-V976 VanDerWaalsContact O-N 3.07Å; K973-V976 PolarHBondContact O-N 2.84Å; D974-V976 PolarHBondContact O-N 3.43Å; V976-V979 PolarHBondContact O-N 2.96Å; V976-C980 PolarHBondContact O-N 2.84Å
977	L	95	Very high	93.1	Very high	49 Å²	49	53.8 Å²	53.8	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-48.4	175.5	175.1	73.1	0	0	0	111	I890 R893 M907 K973 D974 C980 L981	I890-L977 HydrophobicContact CD1-CD2 4.32Å; R893-L977 VanDerWaalsContact CZ-CD2 3.43Å; R893-L977 VanDerWaalsContact NH2-CD2 3.26Å; M907-L977 HydrophobicContact CE-CD2 4.27Å; K973-L977 WeakPolarHBondContact O-CB 3.2Å; K973-L977 PolarHBondContact O-N 3.28Å; D974-L977 WeakPolarHBondContact O-CB 3.27Å; D974-L977 PolarHBondContact O-N 3.36Å; L977-C980 PolarHBondContact O-N 3.37Å; L977-L981 WeakPolarHBondContact O-CB 3.38Å; L977-L981 PolarHBondContact O-N 3.4Å
978	L	95	Very high	93.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-46.1	179.8	-69.3	179.3	0	0	0	111.4	I890 M907 T910 C911 L914 L970 D974 L975 C980 L981 T982	I890-L978 HydrophobicContact CG1-CD2 4.4Å; M907-L978 HydrophobicContact CE-CD2 4.35Å; M907-L978 HydrophobicContact CE-CG 4.46Å; M907-L978 HydrophobicContact SD-CD1 3.88Å; M907-L978 HydrophobicContact SD-CD2 4.34Å; M907-L978 HydrophobicContact SD-CG 4.17Å; T910-L978 HydrophobicContact CG2-CD1 3.82Å; C911-L978 HydrophobicContact CB-CD2 3.55Å; L914-L978 HydrophobicContact CD1-CB 3.69Å; L914-L978 HydrophobicContact CD1-CD1 4.38Å; L970-L978 HydrophobicContact CD1-CD1 4.23Å; D974-L978 VanDerWaalsContact O-CG 3.28Å; D974-L978 WeakPolarHBondContact O-CG 3.44Å; D974-L978 PolarHBondContact O-N 2.99Å; L975-L978 PolarHBondContact O-N 2.8Å; L978-C980 PolarHBondContact O-N 3.42Å; L978-L981 PolarHBondContact O-N 3.01Å; L978-T982 VanDerWaalsContact O-CB 3.32Å; L978-T982 WeakPolarHBondContact O-CB 3.41Å; L978-T982 VanDerWaalsContact O-CG2 3.22Å; L978-T982 WeakPolarHBondContact O-CG2 3.41Å; L978-T982 PolarHBondContact O-N 3.4Å; L978-T982 PolarHBondContact O-OG1 2.89Å
979	V	95.1	Very high	93.4	Very high	66 Å²	66	52.3 Å²	52.3	40%	0.4	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-44.3	179.2	170.5	0	0	0	0	111.6	L914 F918 L975 V976 T982 S983	L914-V979 HydrophobicContact CD1-CG2 4.24Å; F918-V979 HydrophobicContact CZ-CG1 4.35Å; L975-V979 VanDerWaalsContact O-CG2 3.31Å; L975-V979 WeakPolarHBondContact O-CG2 3.07Å; L975-V979 PolarHBondContact O-N 2.77Å; V976-V979 PolarHBondContact O-N 2.96Å; V979-T982 PolarHBondContact O-OG1 2.85Å; V979-S983 WeakPolarHBondContact O-CB 3.44Å; V979-S983 PolarHBondContact O-N 3.46Å; V979-S983 VanDerWaalsContact O-N 3.09Å
980	C	95.2	Very high	93.2	Very high	87 Å²	87	50.4 Å²	50.4	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-60.5	-49.2	176.5	-81.6	0	0	0	0	111.7	V976 L977 L978 S983	V976-C980 PolarHBondContact O-N 2.84Å; L977-C980 PolarHBondContact O-N 3.37Å; L978-C980 PolarHBondContact O-N 3.42Å; C980-S983 PolarHBondContact O-OG 2.89Å
981	L	95.4	Very high	93.1	Very high	32 Å²	32	55.5 Å²	55.5	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-48.5	179.7	177.2	59.9	0	0	0	111.8	W889 I890 F915 L977 L978 S983 S984	W889-L981 HydrophobicContact CE3-CD1 3.9Å; W889-L981 HydrophobicContact CE3-CD2 3.73Å; W889-L981 HydrophobicContact CE3-CG 4.46Å; W889-L981 HydrophobicContact CZ3-CD1 3.69Å; W889-L981 HydrophobicContact CZ3-CD2 3.82Å; W889-L981 HydrophobicContact CZ3-CG 4.31Å; I890-L981 HydrophobicContact CD1-CD2 3.78Å; I890-L981 HydrophobicContact CG1-CD2 3.47Å; I890-L981 VanDerWaalsContact CG1-CD2 3.47Å; F915-L981 HydrophobicContact CE2-CG 4.43Å; F915-L981 HydrophobicContact CZ-CG 4.06Å; L977-L981 WeakPolarHBondContact O-CB 3.38Å; L977-L981 PolarHBondContact O-N 3.4Å; L978-L981 PolarHBondContact O-N 3.01Å; L981-S983 VanDerWaalsContact C-N 3.32Å; L981-S983 PolarHBondContact O-N 3.35Å; L981-S984 VanDerWaalsContact O-CB 3.22Å; L981-S984 WeakPolarHBondContact O-CB 3.26Å; L981-S984 PolarHBondContact O-N 3.31Å; L981-S984 PolarHBondContact O-OG 2.98Å
982	T	95.6	Very high	92.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.2	-27.7	-173.3	54.7	0	0	0	0	113.6	C911 L914 F915 F918 L978 V979 S984 V985	C911-T982 WeakPolarHBondContact O-CG2 3.3Å; L914-T982 HydrophobicContact CB-CG2 3.72Å; F915-T982 HydrophobicContact CB-CG2 4.23Å; F915-T982 HydrophobicContact CD1-CG2 3.99Å; F915-T982 HydrophobicContact CD2-CG2 3.55Å; F915-T982 VanDerWaalsContact CE1-CA 3.48Å; F915-T982 HydrophobicContact CE1-CG2 4.24Å; F915-T982 HydrophobicContact CE2-CG2 3.8Å; F915-T982 HydrophobicContact CG-CG2 3.65Å; F915-T982 HydrophobicContact CZ-CG2 4.14Å; F918-T982 WeakPolarHBondContact CD2-OG1 3.34Å; F918-T982 WeakPolarHBondContact CE2-OG1 3.31Å; L978-T982 VanDerWaalsContact O-CB 3.32Å; L978-T982 WeakPolarHBondContact O-CB 3.41Å; L978-T982 VanDerWaalsContact O-CG2 3.22Å; L978-T982 WeakPolarHBondContact O-CG2 3.41Å; L978-T982 PolarHBondContact O-N 3.4Å; L978-T982 PolarHBondContact O-OG1 2.89Å; V979-T982 PolarHBondContact O-OG1 2.85Å; T982-S984 PolarHBondContact O-N 2.68Å; T982-S984 VanDerWaalsContact O-N 3.09Å; T982-V985 PolarHBondContact O-N 2.89Å
983	S	94.9	Very high	92.7	Very high	24 Å²	24	48.4 Å²	48.4	17%	0.168	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.9	173.5	75.4	0	0	0	0	113.8	V979 C980 L981 V985 F986 F987	V979-S983 WeakPolarHBondContact O-CB 3.44Å; V979-S983 PolarHBondContact O-N 3.46Å; V979-S983 VanDerWaalsContact O-N 3.09Å; C980-S983 PolarHBondContact O-OG 2.89Å; L981-S983 VanDerWaalsContact C-N 3.32Å; L981-S983 PolarHBondContact O-N 3.35Å; S983-V985 VanDerWaalsContact C-N 3.3Å; S983-V985 PolarHBondContact O-N 3.11Å; S983-F986 WeakPolarHBondContact O-CB 3.43Å; S983-F986 PolarHBondContact O-N 3.21Å; S983-F986 VanDerWaalsContact O-N 3.14Å; S983-F987 VanDerWaalsContact O-CD2 3.22Å; S983-F987 WeakPolarHBondContact O-CD2 3.35Å; S983-F987 PolarHBondContact O-N 2.98Å
984	S	94.9	Very high	92.2	Very high	36 Å²	36	44.3 Å²	44.3	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-37.4	179.2	63.2	0	0	0	0	113.5	L981 T982 F986 F987 V988	L981-S984 VanDerWaalsContact O-CB 3.22Å; L981-S984 WeakPolarHBondContact O-CB 3.26Å; L981-S984 PolarHBondContact O-N 3.31Å; L981-S984 PolarHBondContact O-OG 2.98Å; T982-S984 PolarHBondContact O-N 2.68Å; T982-S984 VanDerWaalsContact O-N 3.09Å; S984-F986 VanDerWaalsContact C-N 3.28Å; S984-F986 PolarHBondContact O-N 3.13Å; S984-F987 PolarHBondContact O-N 2.85Å; S984-V988 WeakPolarHBondContact O-CG2 3.2Å; S984-V988 PolarHBondContact O-N 2.63Å
985	V	93.3	Very high	91.8	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-42.1	177.5	163.1	0	0	0	0	111.1	L882 I883 F915 N919 T982 S983 S989	L882-V985 HydrophobicContact CB-CG2 3.68Å; L882-V985 HydrophobicContact CD2-CG2 4.19Å; L882-V985 HydrophobicContact CG-CG2 4.37Å; I883-V985 HydrophobicContact CG1-CG2 4.08Å; F915-V985 HydrophobicContact CD1-CB 4.14Å; F915-V985 HydrophobicContact CD1-CG2 3.42Å; F915-V985 VanDerWaalsContact CD1-CG2 3.42Å; F915-V985 HydrophobicContact CE1-CB 4.41Å; F915-V985 HydrophobicContact CE1-CG2 3.55Å; N919-V985 HydrophobicContact CB-CG1 3.95Å; T982-V985 PolarHBondContact O-N 2.89Å; S983-V985 VanDerWaalsContact C-N 3.3Å; S983-V985 PolarHBondContact O-N 3.11Å; V985-S989 WeakPolarHBondContact O-CB 3.47Å; V985-S989 PolarHBondContact O-N 3.26Å
986	F	91.6	Very high	91	Very high	16 Å²	16	50 Å²	50	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-49.6	177.7	168.1	-93.1	0	0	0	111.7	F918 L921 S922 I930 F935 S983 S984 V988 S989 E990	F918-F986 HydrophobicContact CB-CB 4.31Å; F918-F986 HydrophobicContact CD1-CB 4.18Å; L921-F986 HydrophobicContact CB-CD2 4.1Å; L921-F986 HydrophobicContact CB-CE2 4.49Å; S922-F986 WeakPolarHBondContact OG-CA 3.31Å; I930-F986 HydrophobicContact CB-CE2 4.5Å; I930-F986 HydrophobicContact CD1-CD2 4.03Å; I930-F986 HydrophobicContact CD1-CE2 3.4Å; I930-F986 VanDerWaalsContact CD1-CE2 3.4Å; I930-F986 HydrophobicContact CD1-CZ 4.36Å; F935-F986 HydrophobicContact CE1-CE2 4.46Å; F935-F986 HydrophobicContact CE1-CZ 4.33Å; F935-F986 HydrophobicContact CZ-CZ 4.04Å; S983-F986 WeakPolarHBondContact O-CB 3.43Å; S983-F986 PolarHBondContact O-N 3.21Å; S983-F986 VanDerWaalsContact O-N 3.14Å; S984-F986 VanDerWaalsContact C-N 3.28Å; S984-F986 PolarHBondContact O-N 3.13Å; F986-V988 PolarHBondContact O-N 3.17Å; F986-S989 PolarHBondContact O-N 3.15Å; F986-E990 HydrophobicContact CE1-CG 4.37Å; F986-E990 HydrophobicContact CE2-CG 4.12Å; F986-E990 HydrophobicContact CZ-CG 4Å; F986-E990 PolarHBondContact O-N 3.32Å
987	F	92	Very high	90	Very high	128 Å²	128	50 Å²	50	56%	0.561	27%	0.265	S	S	*	.	H	α-helix	trans	-63.6	-42	-178.9	-74.3	-69.9	0	0	0	112.6	S983 S984 S989 E990 L991	S983-F987 VanDerWaalsContact O-CD2 3.22Å; S983-F987 WeakPolarHBondContact O-CD2 3.35Å; S983-F987 PolarHBondContact O-N 2.98Å; S984-F987 PolarHBondContact O-N 2.85Å; F987-S989 VanDerWaalsContact C-N 3.34Å; F987-S989 PolarHBondContact O-N 3.18Å; F987-E990 PolarHBondContact O-N 3.41Å; F987-L991 WeakPolarHBondContact O-CB 3.35Å; F987-L991 PolarHBondContact O-N 3.43Å
988	V	92.1	Very high	88.8	Confident	59 Å²	59	55.7 Å²	55.7	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-41.6	177.1	173.6	0	0	0	0	110.8	L882 S984 F986 L991 R992	L882-V988 HydrophobicContact CD1-CB 3.86Å; L882-V988 HydrophobicContact CD1-CG1 3.72Å; L882-V988 HydrophobicContact CD1-CG2 3.99Å; S984-V988 WeakPolarHBondContact O-CG2 3.2Å; S984-V988 PolarHBondContact O-N 2.63Å; F986-V988 PolarHBondContact O-N 3.17Å; V988-L991 PolarHBondContact O-N 2.96Å; V988-R992 WeakPolarHBondContact O-CB 3.46Å; V988-R992 PolarHBondContact O-N 3.27Å
989	S	90	Very high	87.4	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-45.2	177.9	-169.6	0	0	0	0	112.2	S922 V985 F986 F987 R992 K993	S922-S989 WeakPolarHBondContact OG-CB 3.34Å; V985-S989 WeakPolarHBondContact O-CB 3.47Å; V985-S989 PolarHBondContact O-N 3.26Å; F986-S989 PolarHBondContact O-N 3.15Å; F987-S989 VanDerWaalsContact C-N 3.34Å; F987-S989 PolarHBondContact O-N 3.18Å; S989-R992 PolarHBondContact O-N 2.64Å; S989-R992 PolarHBondContact OG-NH2 2.82Å; S989-K993 WeakPolarHBondContact O-CG 3.18Å; S989-K993 PolarHBondContact O-N 3.05Å
990	E	89.6	Confident	85.7	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-42.2	177	-77.3	-59.2	131	0	0	112.1	S929 I930 F986 F987 R992 K993 L994	S929-E990 VanDerWaalsContact CA-OE2 3.27Å; S929-E990 WeakPolarHBondContact CA-OE2 3.46Å; S929-E990 VanDerWaalsContact CB-OE2 3.27Å; S929-E990 WeakPolarHBondContact CB-OE2 3.17Å; I930-E990 HydrophobicContact CD1-CG 4.49Å; I930-E990 VanDerWaalsContact CD1-OE1 3.26Å; I930-E990 WeakPolarHBondContact CD1-OE1 3.48Å; I930-E990 WeakPolarHBondContact CG1-OE1 3.4Å; I930-E990 PolarHBondContact N-OE1 2.7Å; I930-E990 PolarHBondContact N-OE2 2.67Å; F986-E990 HydrophobicContact CE1-CG 4.37Å; F986-E990 HydrophobicContact CE2-CG 4.12Å; F986-E990 HydrophobicContact CZ-CG 4Å; F986-E990 PolarHBondContact O-N 3.32Å; F987-E990 PolarHBondContact O-N 3.41Å; E990-R992 VanDerWaalsContact C-N 3.3Å; E990-R992 PolarHBondContact O-N 2.95Å; E990-K993 PolarHBondContact O-N 3.26Å; E990-K993 VanDerWaalsContact O-N 3.16Å; E990-K993 WeakPolarHBondContact OE1-CD 3.44Å; E990-K993 WeakPolarHBondContact OE1-CE 3.45Å; E990-K993 IonicContact OE1-NZ 3.77Å; E990-K993 PolarHBondContact OE1-NZ 3.06Å; E990-L994 WeakPolarHBondContact O-CB 3.42Å; E990-L994 PolarHBondContact O-N 3.05Å
991	L	89.1	Confident	84.1	Confident	113 Å²	113	59.5 Å²	59.5	59%	0.592	30%	0.304	S	S	*	.	H	α-helix	trans	-57.3	-45.3	175	-176.9	67	0	0	0	111.1	F987 V988 K993 L994 V995	F987-L991 WeakPolarHBondContact O-CB 3.35Å; F987-L991 PolarHBondContact O-N 3.43Å; V988-L991 PolarHBondContact O-N 2.96Å; L991-K993 PolarHBondContact O-N 3.08Å; L991-L994 WeakPolarHBondContact O-CB 3.2Å; L991-L994 PolarHBondContact O-N 3.46Å; L991-V995 WeakPolarHBondContact O-CG2 3.38Å; L991-V995 PolarHBondContact O-N 3.32Å
992	R	87.5	Confident	82.2	Confident	56 Å²	56	65.7 Å²	65.7	21%	0.211	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-43.8	176.5	-178.9	-173.5	62.2	-163.4	-3.8	112.1	N875 T878 V988 S989 E990 L994 V995 R996	N875-R992 VanDerWaalsContact CA-NH1 3.32Å; N875-R992 PolarHBondContact OD1-NE 3.45Å; N875-R992 PolarHBondContact OD1-NH1 3.45Å; N875-R992 PolarHBondContact OD1-NH2 2.94Å; T878-R992 PolarHBondContact OG1-NH1 3.24Å; T878-R992 VanDerWaalsContact OG1-NH1 3.1Å; V988-R992 WeakPolarHBondContact O-CB 3.46Å; V988-R992 PolarHBondContact O-N 3.27Å; S989-R992 PolarHBondContact O-N 2.64Å; S989-R992 PolarHBondContact OG-NH2 2.82Å; E990-R992 VanDerWaalsContact C-N 3.3Å; E990-R992 PolarHBondContact O-N 2.95Å; R992-L994 VanDerWaalsContact C-N 3.31Å; R992-L994 PolarHBondContact O-N 2.87Å; R992-V995 PolarHBondContact O-N 3.1Å; R992-R996 WeakPolarHBondContact O-CB 3.45Å; R992-R996 PolarHBondContact O-N 3.37Å
993	K	86.5	Confident	80.4	Confident	10 Å²	10	71.8 Å²	71.8	4%	0.043	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-42.3	176	-67.6	174.1	-158.4	177.5	0	110.9	S922 S925 S989 E990 L991 R996 I997	S922-K993 PolarHBondContact O-NZ 3.14Å; S925-K993 VanDerWaalsContact O-CE 3.23Å; S925-K993 WeakPolarHBondContact O-CE 3.39Å; S925-K993 PolarHBondContact O-NZ 3.31Å; S989-K993 WeakPolarHBondContact O-CG 3.18Å; S989-K993 PolarHBondContact O-N 3.05Å; E990-K993 PolarHBondContact O-N 3.26Å; E990-K993 VanDerWaalsContact O-N 3.16Å; E990-K993 WeakPolarHBondContact OE1-CD 3.44Å; E990-K993 WeakPolarHBondContact OE1-CE 3.45Å; E990-K993 IonicContact OE1-NZ 3.77Å; E990-K993 PolarHBondContact OE1-NZ 3.06Å; L991-K993 PolarHBondContact O-N 3.08Å; K993-R996 WeakPolarHBondContact O-CB 3.37Å; K993-R996 PolarHBondContact O-N 2.95Å; K993-I997 WeakPolarHBondContact O-CG1 3.34Å; K993-I997 PolarHBondContact O-N 2.76Å
994	L	83.9	Confident	78.1	Confident	89 Å²	89	79 Å²	79	47%	0.466	38%	0.376	S	S	.	.	H	α-helix	trans	-63.6	-46.2	179.4	-126.9	155.7	0	0	0	112.4	E990 L991 R992 R996 I997 R998	E990-L994 WeakPolarHBondContact O-CB 3.42Å; E990-L994 PolarHBondContact O-N 3.05Å; L991-L994 WeakPolarHBondContact O-CB 3.2Å; L991-L994 PolarHBondContact O-N 3.46Å; R992-L994 VanDerWaalsContact C-N 3.31Å; R992-L994 PolarHBondContact O-N 2.87Å; L994-R996 PolarHBondContact O-N 2.87Å; L994-I997 PolarHBondContact O-N 3.32Å; L994-R998 PolarHBondContact O-N 3.38Å
995	V	84	Confident	76.2	Confident	90 Å²	90	79.4 Å²	79.4	55%	0.545	38%	0.382	S	S	.	.	H	α-helix	trans	-58.5	-40.7	174.4	171.1	0	0	0	0	110.3	L991 R992 R998 S999	L991-V995 WeakPolarHBondContact O-CG2 3.38Å; L991-V995 PolarHBondContact O-N 3.32Å; R992-V995 PolarHBondContact O-N 3.1Å; V995-R998 WeakPolarHBondContact O-CB 3.49Å; V995-R998 PolarHBondContact O-N 3.46Å; V995-S999 PolarHBondContact O-N 3.01Å
996	R	76.3	Confident	74.6	Confident	89 Å²	89	82.9 Å²	82.9	34%	0.336	40%	0.403	S	S	.	.	H	α-helix	trans	-67.3	-48.1	-179	-172.9	177.8	-179.7	132.9	1.9	113.3	R871 R992 K993 L994 R998 S999 D1000	R871-R996 VanDerWaalsContact NE-CZ 3.28Å; R871-R996 VanDerWaalsContact NH2-CZ 3.32Å; R992-R996 WeakPolarHBondContact O-CB 3.45Å; R992-R996 PolarHBondContact O-N 3.37Å; K993-R996 WeakPolarHBondContact O-CB 3.37Å; K993-R996 PolarHBondContact O-N 2.95Å; L994-R996 PolarHBondContact O-N 2.87Å; R996-R998 PolarHBondContact O-N 2.84Å; R996-S999 WeakPolarHBondContact CA-OG 3.49Å; R996-S999 WeakPolarHBondContact O-CA 3.49Å; R996-S999 PolarHBondContact O-N 2.89Å; R996-S999 PolarHBondContact O-OG 2.76Å; R996-D1000 IonicContact NE-OD2 2.76Å; R996-D1000 PolarHBondContact O-N 3.32Å
997	I	72.9	Confident	72.9	Confident	83 Å²	83	88.6 Å²	88.6	43%	0.426	43%	0.425	S	S	.	.	H	α-helix	trans	-55.7	-40.5	177.5	-67.4	165.9	0	0	0	109.5	K993 L994 V1001	K993-I997 WeakPolarHBondContact O-CG1 3.34Å; K993-I997 PolarHBondContact O-N 2.76Å; L994-I997 PolarHBondContact O-N 3.32Å; I997-V1001 VanDerWaalsContact O-CG2 3.26Å; I997-V1001 WeakPolarHBondContact O-CG2 3.46Å; I997-V1001 PolarHBondContact O-N 2.82Å
998	R	71.1	Confident	70.9	Confident	170 Å²	170	88.1 Å²	88.1	64%	0.642	42%	0.423	S	S	*	.	H	α-helix	trans	-64.5	-42.3	172.9	-98.9	-176.2	165.6	126.4	-3.3	113.2	L994 V995 R996 V1001 Y1002	L994-R998 PolarHBondContact O-N 3.38Å; V995-R998 WeakPolarHBondContact O-CB 3.49Å; V995-R998 PolarHBondContact O-N 3.46Å; R996-R998 PolarHBondContact O-N 2.84Å; R998-V1001 PolarHBondContact O-N 3.31Å; R998-Y1002 WeakPolarHBondContact O-CB 3.26Å; R998-Y1002 PolarHBondContact O-N 3.15Å
999	S	63.7	Low	69.2	Low	58 Å²	58	90.6 Å²	90.6	41%	0.406	43%	0.434	S	S	.	.	H	α-helix	trans	-66.4	-39.1	-179.8	70	0	0	0	0	112.9	V995 R996 Y1002 F1003	V995-S999 PolarHBondContact O-N 3.01Å; R996-S999 WeakPolarHBondContact CA-OG 3.49Å; R996-S999 WeakPolarHBondContact O-CA 3.49Å; R996-S999 PolarHBondContact O-N 2.89Å; R996-S999 PolarHBondContact O-OG 2.76Å; S999-Y1002 PolarHBondContact O-N 3.26Å; S999-F1003 VanDerWaalsContact O-CB 3.25Å; S999-F1003 WeakPolarHBondContact O-CB 3.49Å; S999-F1003 PolarHBondContact O-N 3.01Å
1000	D	60.8	Low	67.6	Low	81 Å²	81	94 Å²	94	43%	0.433	46%	0.457	S	S	.	.	H	α-helix	trans	-67.8	-39	176.9	-77.2	-30.1	0	0	0	110.4	R996 F1003 W1004	R996-D1000 IonicContact NE-OD2 2.76Å; R996-D1000 PolarHBondContact O-N 3.32Å; D1000-F1003 PolarHBondContact O-N 3.26Å; D1000-W1004 WeakPolarHBondContact O-CB 3.39Å; D1000-W1004 PolarHBondContact O-N 3.36Å
1001	V	60.9	Low	65.6	Low	94 Å²	94	100.3 Å²	100.3	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-66.3	-43	173.6	172.5	0	0	0	0	111.4	I997 R998 W1004 A1005	I997-V1001 VanDerWaalsContact O-CG2 3.26Å; I997-V1001 WeakPolarHBondContact O-CG2 3.46Å; I997-V1001 PolarHBondContact O-N 2.82Å; R998-V1001 PolarHBondContact O-N 3.31Å; V1001-W1004 PolarHBondContact O-N 3.14Å; V1001-A1005 WeakPolarHBondContact O-CB 3.41Å; V1001-A1005 PolarHBondContact O-N 3.03Å
1002	Y	56.5	Low	63.8	Low	162 Å²	162	101.8 Å²	101.8	64%	0.635	49%	0.491	S	S	*	.	H	α-helix	trans	-66.5	-39.9	176.4	-104.9	-85.6	0	0	0	111.8	R998 S999 A1005 T1006	R998-Y1002 WeakPolarHBondContact O-CB 3.26Å; R998-Y1002 PolarHBondContact O-N 3.15Å; S999-Y1002 PolarHBondContact O-N 3.26Å; Y1002-A1005 PolarHBondContact O-N 2.89Å; Y1002-T1006 WeakPolarHBondContact O-CB 3.45Å; Y1002-T1006 PolarHBondContact O-N 3.35Å; Y1002-T1006 PolarHBondContact O-OG1 3.47Å
1003	F	56.3	Low	61.7	Low	128 Å²	128	107.5 Å²	107.5	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-64	-47	176.4	-174.6	-94.9	0	0	0	110.5	S999 D1000 T1006 Y1007	S999-F1003 VanDerWaalsContact O-CB 3.25Å; S999-F1003 WeakPolarHBondContact O-CB 3.49Å; S999-F1003 PolarHBondContact O-N 3.01Å; D1000-F1003 PolarHBondContact O-N 3.26Å; F1003-T1006 WeakPolarHBondContact CA-OG1 3.42Å; F1003-T1006 PolarHBondContact O-N 2.87Å; F1003-T1006 PolarHBondContact O-OG1 3.08Å; F1003-T1006 VanDerWaalsContact O-OG1 3.09Å; F1003-Y1007 HydrophobicContact CE1-CD2 4.16Å; F1003-Y1007 HydrophobicContact CZ-CD2 4.13Å; F1003-Y1007 WeakPolarHBondContact O-CB 3.34Å; F1003-Y1007 PolarHBondContact O-N 3.37Å
1004	W	47.2	Very low	59.2	Low	175 Å²	175	113.2 Å²	113.2	66%	0.663	55%	0.547	S	S	*	.	H	α-helix	trans	-65.3	-40.7	174.2	-100.5	87.3	0	0	0	112.6	D1000 V1001 T1006 Y1007 F1008	D1000-W1004 WeakPolarHBondContact O-CB 3.39Å; D1000-W1004 PolarHBondContact O-N 3.36Å; V1001-W1004 PolarHBondContact O-N 3.14Å; W1004-T1006 PolarHBondContact O-N 2.92Å; W1004-Y1007 PolarHBondContact O-N 3.48Å; W1004-F1008 HydrophobicContact CE3-CD2 4.49Å; W1004-F1008 HydrophobicContact CZ3-CD2 4.38Å; W1004-F1008 WeakPolarHBondContact O-CB 3.24Å; W1004-F1008 PolarHBondContact O-N 3.06Å
1005	A	55.1	Low	57	Low	44 Å²	44	114.2 Å²	114.2	36%	0.364	56%	0.559	S	S	.	*	H	α-helix	trans	-62.4	-43.4	176.1	0	0	0	0	0	111.6	V1001 Y1002 L1009	V1001-A1005 WeakPolarHBondContact O-CB 3.41Å; V1001-A1005 PolarHBondContact O-N 3.03Å; Y1002-A1005 PolarHBondContact O-N 2.89Å; A1005-L1009 VanDerWaalsContact O-CB 3.24Å; A1005-L1009 WeakPolarHBondContact O-CB 3.5Å; A1005-L1009 WeakPolarHBondContact O-CD1 3.34Å; A1005-L1009 PolarHBondContact O-N 3.45Å
1006	T	58.9	Low	54.5	Low	78 Å²	78	121.5 Å²	121.5	48%	0.479	58%	0.577	S	S	.	*	H	α-helix	trans	-71.9	-37.5	176.5	42.7	0	0	0	0	112.6	Y1002 F1003 W1004 L1009 S1010	Y1002-T1006 WeakPolarHBondContact O-CB 3.45Å; Y1002-T1006 PolarHBondContact O-N 3.35Å; Y1002-T1006 PolarHBondContact O-OG1 3.47Å; F1003-T1006 WeakPolarHBondContact CA-OG1 3.42Å; F1003-T1006 PolarHBondContact O-N 2.87Å; F1003-T1006 PolarHBondContact O-OG1 3.08Å; F1003-T1006 VanDerWaalsContact O-OG1 3.09Å; W1004-T1006 PolarHBondContact O-N 2.92Å; T1006-L1009 PolarHBondContact O-N 3.2Å; T1006-S1010 WeakPolarHBondContact O-CB 3.5Å; T1006-S1010 PolarHBondContact O-N 3.48Å
1007	Y	56.5	Low	52.3	Low	135 Å²	135	128.7 Å²	128.7	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-65	-41.9	174	-157.3	-90.1	0	0	0	110.8	F1003 W1004 S1010 F1011	F1003-Y1007 HydrophobicContact CE1-CD2 4.16Å; F1003-Y1007 HydrophobicContact CZ-CD2 4.13Å; F1003-Y1007 WeakPolarHBondContact O-CB 3.34Å; F1003-Y1007 PolarHBondContact O-N 3.37Å; W1004-Y1007 PolarHBondContact O-N 3.48Å; Y1007-S1010 CarbonylContact O-C 3.57Å; Y1007-S1010 PolarHBondContact O-N 3.33Å; Y1007-F1011 HydrophobicContact CE1-CD2 4.34Å; Y1007-F1011 WeakPolarHBondContact O-CB 3.4Å; Y1007-F1011 PolarHBondContact O-N 3.49Å
1008	F	50.6	Low	50.2	Low	118 Å²	118	131.3 Å²	131.3	52%	0.518	62%	0.623	S	S	.	*	H	α-helix	trans	-69.7	-39	176.4	-151.5	-93.1	0	0	0	112.1	W1004 S1010 F1011 M1012	W1004-F1008 HydrophobicContact CE3-CD2 4.49Å; W1004-F1008 HydrophobicContact CZ3-CD2 4.38Å; W1004-F1008 WeakPolarHBondContact O-CB 3.24Å; W1004-F1008 PolarHBondContact O-N 3.06Å; F1008-S1010 VanDerWaalsContact C-N 3.31Å; F1008-F1011 PolarHBondContact O-N 3.34Å; F1008-M1012 HydrophobicContact CD1-CE 3.95Å; F1008-M1012 HydrophobicContact CE1-CE 3.91Å; F1008-M1012 PolarHBondContact O-N 3.33Å
1009	L	54.9	Low	48.1	Very low	111 Å²	111	132.7 Å²	132.7	58%	0.581	63%	0.634	S	S	*	*	H	α-helix	trans	-65.2	-33.7	170.5	-91.5	150.6	0	0	0	112.4	A1005 T1006 K1013	A1005-L1009 VanDerWaalsContact O-CB 3.24Å; A1005-L1009 WeakPolarHBondContact O-CB 3.5Å; A1005-L1009 WeakPolarHBondContact O-CD1 3.34Å; A1005-L1009 PolarHBondContact O-N 3.45Å; T1006-L1009 PolarHBondContact O-N 3.2Å; L1009-K1013 PolarHBondContact O-N 3.1Å
1010	S	56.8	Low	46.3	Very low	81 Å²	81	138.3 Å²	138.3	57%	0.566	66%	0.656	S	S	*	*	H	α-helix	trans	-74.7	-33.4	173.9	-163.5	0	0	0	0	111.7	T1006 Y1007 F1008 K1013	T1006-S1010 WeakPolarHBondContact O-CB 3.5Å; T1006-S1010 PolarHBondContact O-N 3.48Å; Y1007-S1010 CarbonylContact O-C 3.57Å; Y1007-S1010 PolarHBondContact O-N 3.33Å; F1008-S1010 VanDerWaalsContact C-N 3.31Å; S1010-K1013 CarbonylContact O-C 3.54Å; S1010-K1013 PolarHBondContact O-N 3.15Å
1011	F	48.1	Very low	44.8	Very low	141 Å²	141	142 Å²	142	62%	0.618	68%	0.676	S	S	*	*	H	α-helix	trans	-70.1	-34.2	174.8	-147.7	-91.6	0	0	0	111.7	Y1007 F1008 K1013	Y1007-F1011 HydrophobicContact CE1-CD2 4.34Å; Y1007-F1011 WeakPolarHBondContact O-CB 3.4Å; Y1007-F1011 PolarHBondContact O-N 3.49Å; F1008-F1011 PolarHBondContact O-N 3.34Å; F1011-K1013 PolarHBondContact O-N 2.99Å
1012	M	50.3	Low	43.4	Very low	145 Å²	145	144.7 Å²	144.7	71%	0.714	69%	0.687	S	S	*	*	S	Bend	trans	-72.1	-14.5	170.2	-86.6	-152.4	-111.9	0	0	113.9	F1008	F1008-M1012 HydrophobicContact CD1-CE 3.95Å; F1008-M1012 HydrophobicContact CE1-CE 3.91Å; F1008-M1012 PolarHBondContact O-N 3.33Å
1013	K	44.4	Very low	42.2	Very low	176 Å²	176	144.6 Å²	144.6	77%	0.765	70%	0.698	S	S	*	*			trans	-99.9	60.6	171.4	-76.3	-174	176	-179.6	0	110.8	L1009 S1010 F1011	L1009-K1013 PolarHBondContact O-N 3.1Å; S1010-K1013 CarbonylContact O-C 3.54Å; S1010-K1013 PolarHBondContact O-N 3.15Å; F1011-K1013 PolarHBondContact O-N 2.99Å
1014	L	34.2	Very low	40.9	Very low	129 Å²	129	147.9 Å²	147.9	68%	0.675	72%	0.717	S	S	*	*			trans	-99.4	119.7	167	-119.6	146.4	0	0	0	110.4
1015	P	37.9	Very low	40.5	Very low	111 Å²	111	150 Å²	150	72%	0.721	75%	0.749	S	S	*	*			trans	-79	150.7	173.7	33.1	-32.2	0	0	0	111.1
1016	R	31.3	Very low	39.8	Very low	243 Å²	243	155.4 Å²	155.4	92%	0.917	77%	0.768	S	S	*	*	S	Bend	trans	-23	138	173.2	-71.6	172.4	169	169.1	-3.7	117.1
1017	R	30	Very low	38.8	Very low	240 Å²	240	159.4 Å²	159.4	91%	0.906	78%	0.784	S	S	*	*			trans	95.7	95.3	158.5	-66.8	-178.3	172.3	177.9	-1.6	116.9
1018	V	27.8	Very low	37.8	Very low	137 Å²	137	160.8 Å²	160.8	83%	0.83	80%	0.798	S	S	*	*			trans	-118.1	116	136.3	179	0	0	0	0	106.2	M1020	V1018-M1020 PolarHBondContact O-N 2.99Å
1019	K	27.2	Very low	37	Very low	200 Å²	200	163.3 Å²	163.3	87%	0.87	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-60.2	119.2	163.9	-92.4	176.1	164.3	-174.7	0	106.5
1020	M	27.1	Very low	35.9	Very low	175 Å²	175	166.6 Å²	166.6	86%	0.862	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-76.2	125.2	159.2	-73.1	-172.9	103	0	0	106.8	V1018	V1018-M1020 PolarHBondContact O-N 2.99Å
1021	D	29.6	Very low	34.5	Very low	159 Å²	159	172.3 Å²	172.3	85%	0.85	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-69.4	124.3	163.3	-90.5	-31.1	0	0	0	108.4	N1023	D1021-N1023 PolarHBondContact O-N 2.61Å
1022	D	30.1	Very low	33.6	Very low	151 Å²	151	174.5 Å²	174.5	81%	0.807	86%	0.863	S	S	*	*	S	Bend	trans	-65.2	101.2	164.5	-71.3	-43.2	0	0	0	108.4
1023	N	32.1	Very low	32.3	Very low	159 Å²	159	176.8 Å²	176.8	85%	0.85	87%	0.874	S	S	*	*			trans	-178.1	73.6	154.8	-92	-25.2	0	0	0	110.5	D1021	D1021-N1023 PolarHBondContact O-N 2.61Å
1024	M	27.8	Very low	31.3	Very low	198 Å²	198	176.8 Å²	176.8	98%	0.975	88%	0.883	S	S	*	*			trans	-165.1	92.3	146.9	-85.7	-151.5	122.8	0	0	107.8
1025	V	39.9	Very low	31	Very low	220 Å²	220	181.2 Å²	181.2	100%	1.333	90%	0.902	S	S	*	*			trans	-102	0	161.6	171.4	0	0	0	0	107.6

Retrieved 1,025 of 1,025 residues in 2037.2 ms (Link to these results)

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