A0A5K4F1E7_SCHMA Loading...

Crossover junction endonuclease MUS81

Interacts with EME1 to form a DNA structure-specific endonuclease with substrate preference for branched DNA structures with a 5'-end at the branch nick. Typical substrates include 3'-flap structures, D-loops, replication forks and nicked Holliday junctions. May be required in mitosis for the processing of stalled or collapsed replication fork intermediates. May be required in meiosis for the repair of meiosis-specific double strand breaks subsequent to single-end invasion (SEI).

AlphaFold DB , UniProt , Accession A0A5K4F1E7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 800 aa.

						>A0A5K4F1E7_SCHMA|A0A5K4F1E7
MSTLANRKKKKIDGGPNLLFQRWITEAMENAFAKDAKSYYAYKKALSSLKKYPLLLQSGKECKILEGFGAKLCDFLDEKLNNYADDLQLSALEALHYGNKNIKSSIMSPIITATKTKCCKTNQLPTEKDSLLKEHNINSGDSDVTVPNLIIQTNATHDKVTSEIINNENLIFQYSVYAKKVLEVIKSSKHPSGCSMCELAAYFRNHEQIDLQLLQSEIDKLINMKILHYVNNSPPRLKITDVESDLSTSMCSKSEISRNETDYTAGTSSDLKCSTDSSMSTDLYEISSYELHFTYVDEHNNPVHLKGNAHQREYNMDGERNLTGYRIRCVYEDLIISGVSYRIDWSSSGLTENGMTYTYAYLLDPNAPNLCTNPISSIKSIDTTSSSAMLTTSSTTFTFKPISKVNNSTNLETGIKRCKSQESVSHNGLTSKSSRNCTNSVVSESTMQPKSPTHSPSTLTRQLSLSSASEMLSLNRAMTKYSSQASGEPPNPQTISTRKCSNPVGVEPQKHQISSSSLLTLVVPGNSYEIILLADVRENFGSNKVRQMLPTVFEKCNIRCESRALPVGDFLWIARWRNESGCLMEAVLDQIVERKRMDDLAHSIVDGRFREQKYRLKRTGLLQLIYLIEECPMMHNQKVSYDVLIQAISNAQMIDGLHIMTTKSHEDTVDLLAALSRRLQSRVSSDLYVNYKKSNDIPFKLNTVNALGWCEFVKLANKSPDPSIRDIFAKHLMQIPGCSGPKITSIMEKYPTPCILMDAYDKQPTMSGKGNMLAELKPADSNRCLGTALSQSIAFAFNTL
					

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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	36.1	Very low	35	Very low	248 Å²	248	176 Å²	176	100%	1.222	88%	0.875	S	S	*	*				0	139.8	0	-69.7	-158.2	-155	0	0	108.6
2	S	31.6	Very low	36.3	Very low	107 Å²	107	166.9 Å²	166.9	75%	0.748	83%	0.831	S	S	*	*			trans	-42.1	142	-169.4	56.5	0	0	0	0	115.8
3	T	37	Very low	37.9	Very low	137 Å²	137	163.4 Å²	163.4	84%	0.84	82%	0.817	S	S	*	*				-156.1	110.3	71.8	35.4	0	0	0	0	113
4	L	31.4	Very low	39.8	Very low	178 Å²	178	155.8 Å²	155.8	93%	0.932	80%	0.8	S	S	*	*			trans	-91.6	131.4	151.6	-85.1	125.2	0	0	0	107.5
5	A	33.6	Very low	42.1	Very low	89 Å²	89	146.5 Å²	146.5	74%	0.736	76%	0.758	S	S	*	*			trans	170.7	145.3	138.1	0	0	0	0	0	112.6
6	N	32	Very low	44.9	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	73%	0.729	S	S	*	*			trans	88	65.1	162.2	-58.9	-24.4	0	0	0	118.6	K8	N6-K8 PolarHBondContact O-N 3.39Å
7	R	33.4	Very low	47.6	Very low	217 Å²	217	131.9 Å²	131.9	82%	0.819	69%	0.686	S	S	*	*			trans	-75.9	109.9	147	-96.3	-178.3	169.4	179.8	-3.6	109.5	K9	R7-K9 PolarHBondContact O-N 3.04Å
8	K	32.9	Very low	50.1	Low	205 Å²	205	124.7 Å²	124.7	89%	0.891	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-63.1	123.3	170.2	-77.7	178.8	174.3	175.1	0	110.2	N6	N6-K8 PolarHBondContact O-N 3.39Å
9	K	37.6	Very low	52.4	Low	209 Å²	209	118.4 Å²	118.4	91%	0.909	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-60.7	130.4	170.2	-76.6	179.7	175.6	176.3	0	110.1	R7	R7-K9 PolarHBondContact O-N 3.04Å
10	K	37.1	Very low	54.6	Low	188 Å²	188	112.6 Å²	112.6	82%	0.817	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-79.1	126.2	-177.4	-147.7	172.5	-174.6	175.1	0	109.6	I12	K10-I12 PolarHBondContact O-N 3.35Å
11	K	42.1	Very low	56.5	Low	203 Å²	203	107.3 Å²	107.3	88%	0.883	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-55.9	126.6	174.9	-109.7	-178.8	174.4	-176.5	0	110.1
12	I	51.2	Low	59.2	Low	67 Å²	67	101.3 Å²	101.3	34%	0.344	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-79.1	129.3	171.3	-60.3	170.6	0	0	0	106.8	K10 L18 I106	K10-I12 PolarHBondContact O-N 3.35Å; I12-L18 HydrophobicContact CG2-CD2 4.14Å; I12-I106 HydrophobicContact CB-CD1 4.06Å; I12-I106 HydrophobicContact CG2-CD1 4.01Å
13	D	56.9	Low	62.3	Low	121 Å²	121	97.1 Å²	97.1	65%	0.647	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-88.8	136.8	-176.9	-149.8	-1.5	0	0	0	108.8	G15	D13-G15 VanDerWaalsContact C-N 3.32Å; D13-G15 PolarHBondContact O-N 3.41Å
14	G	64	Low	65.1	Low	57 Å²	57	90.6 Å²	90.6	59%	0.588	45%	0.45	S	S	*	.			trans	-76.4	51.3	-158.1	0	0	0	0	0	117.7
15	G	75.4	Confident	68.1	Low	16 Å²	16	83.9 Å²	83.9	17%	0.165	42%	0.416	C	S	.	.			trans	-76.9	174	177.1	0	0	0	0	0	114.9	D13 L18	D13-G15 VanDerWaalsContact C-N 3.32Å; D13-G15 PolarHBondContact O-N 3.41Å; G15-L18 WeakPolarHBondContact O-CD2 3.24Å; G15-L18 WeakPolarHBondContact O-CG 3.46Å
16	P	86.5	Confident	71	Confident	46 Å²	46	82.6 Å²	82.6	30%	0.299	40%	0.395	S	S	.	.	S	Bend	trans	-71.4	-32.9	180	26.2	-33	0	0	0	113.7	L18 L55 N99	P16-L18 PolarHBondContact O-N 3.29Å; P16-L55 HydrophobicContact CB-CB 4.3Å; P16-L55 HydrophobicContact CB-CD1 4.41Å; P16-L55 VanDerWaalsContact O-CD1 3.3Å; P16-L55 WeakPolarHBondContact O-CD1 3.46Å; P16-N99 PolarHBondContact O-OD1 2.77Å
17	N	91.2	Very high	74	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.36	C	S	.	.			trans	-91.6	45.3	-172.9	-60.9	-67.5	0	0	0	114	L19 F20 Q21 L49 L54 L55 L56	N17-L19 PolarHBondContact O-N 3.28Å; N17-F20 PolarHBondContact O-N 3.03Å; N17-Q21 VanDerWaalsContact O-CG 3.28Å; N17-Q21 WeakPolarHBondContact O-CG 3.45Å; N17-Q21 PolarHBondContact O-N 3.17Å; N17-L49 HydrophobicContact CB-CD1 3.74Å; N17-L49 HydrophobicContact CB-CD2 4.25Å; N17-L49 HydrophobicContact CB-CG 3.97Å; N17-L54 PolarHBondContact ND2-O 3.12Å; N17-L55 WeakPolarHBondContact OD1-CA 3.46Å; N17-L56 PolarHBondContact OD1-N 3.33Å
18	L	92.1	Very high	76.9	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-37.5	-171.4	-61.8	176.2	0	0	0	114.5	I12 G15 P16 Q21 R22 N99 I102 K103 I106	I12-L18 HydrophobicContact CG2-CD2 4.14Å; G15-L18 WeakPolarHBondContact O-CD2 3.24Å; G15-L18 WeakPolarHBondContact O-CG 3.46Å; P16-L18 PolarHBondContact O-N 3.29Å; L18-Q21 WeakPolarHBondContact O-CB 3.23Å; L18-Q21 PolarHBondContact O-N 3.28Å; L18-R22 PolarHBondContact O-N 3.5Å; L18-N99 WeakPolarHBondContact CA-OD1 3.46Å; L18-N99 PolarHBondContact N-OD1 2.84Å; L18-I102 HydrophobicContact CB-CB 4.1Å; L18-I102 HydrophobicContact CB-CD1 4.41Å; L18-I102 HydrophobicContact CB-CG2 3.86Å; L18-I102 HydrophobicContact CD1-CB 4.37Å; L18-I102 HydrophobicContact CD1-CG2 4.13Å; L18-I102 HydrophobicContact CG-CG2 4.49Å; L18-K103 HydrophobicContact CD1-CB 3.72Å; L18-K103 HydrophobicContact CD1-CD 4.45Å; L18-K103 HydrophobicContact CD1-CG 3.98Å; L18-I106 HydrophobicContact CD1-CD1 4.43Å
19	L	93.8	Very high	79.8	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-49.3	-178.5	-170.4	65.2	0	0	0	111	N17 Q21 R22 W23 Y83 L95 N99 I102	N17-L19 PolarHBondContact O-N 3.28Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 3.13Å; L19-R22 WeakPolarHBondContact O-CB 3.28Å; L19-R22 PolarHBondContact O-N 3.31Å; L19-W23 HydrophobicContact CD1-CH2 4.48Å; L19-W23 HydrophobicContact CD1-CZ2 3.83Å; L19-W23 HydrophobicContact CD2-CH2 3.55Å; L19-W23 HydrophobicContact CD2-CZ2 3.71Å; L19-W23 HydrophobicContact CD2-CZ3 4.23Å; L19-W23 HydrophobicContact CG-CD2 4.33Å; L19-W23 HydrophobicContact CG-CE3 4.5Å; L19-W23 HydrophobicContact CG-CH2 3.83Å; L19-W23 HydrophobicContact CG-CZ2 3.65Å; L19-W23 HydrophobicContact CG-CZ3 4.27Å; L19-W23 PolarHBondContact O-N 3.39Å; L19-Y83 HydrophobicContact CD1-CE1 4.45Å; L19-Y83 HydrophobicContact CD2-CD1 4Å; L19-Y83 HydrophobicContact CD2-CE1 3.95Å; L19-L95 HydrophobicContact CB-CD1 4.24Å; L19-L95 HydrophobicContact CD2-CD1 3.8Å; L19-N99 WeakPolarHBondContact CB-OD1 3.43Å; L19-N99 PolarHBondContact N-OD1 2.93Å; L19-I102 HydrophobicContact CB-CD1 4.18Å; L19-I102 HydrophobicContact CD1-CD1 3.7Å
20	F	95.7	Very high	82.5	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-39.1	173.2	-69.2	-14.7	0	0	0	111.7	N17 R22 W23 I24 L49 L56 L76 L80 L95	N17-F20 PolarHBondContact O-N 3.03Å; F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.64Å; F20-W23 AromaticContact CD1-CE3 3.82Å; F20-W23 HydrophobicContact CD1-CE3 3.82Å; F20-W23 AromaticContact CD1-CZ3 3.84Å; F20-W23 HydrophobicContact CD1-CZ3 3.84Å; F20-W23 HydrophobicContact CE1-CE3 4.24Å; F20-W23 AromaticContact CE1-CZ3 3.82Å; F20-W23 HydrophobicContact CE1-CZ3 3.82Å; F20-W23 PolarHBondContact O-N 3.1Å; F20-I24 WeakPolarHBondContact O-CB 3.14Å; F20-I24 VanDerWaalsContact O-CG1 3.26Å; F20-I24 WeakPolarHBondContact O-CG1 3.38Å; F20-I24 PolarHBondContact O-N 3.34Å; F20-L49 HydrophobicContact CB-CD2 3.64Å; F20-L56 HydrophobicContact CE2-CB 4.31Å; F20-L76 HydrophobicContact CB-CD2 4.47Å; F20-L76 HydrophobicContact CD1-CD2 4.05Å; F20-L76 HydrophobicContact CG-CD2 4.39Å; F20-L80 HydrophobicContact CE1-CD2 4.34Å; F20-L80 HydrophobicContact CZ-CD2 4.23Å; F20-L95 HydrophobicContact CD1-CD1 4.06Å; F20-L95 HydrophobicContact CE1-CD1 3.61Å; F20-L95 HydrophobicContact CE2-CD1 4.31Å; F20-L95 HydrophobicContact CE2-CD2 4.3Å; F20-L95 HydrophobicContact CZ-CD1 3.75Å; F20-L95 HydrophobicContact CZ-CD2 3.95Å
21	Q	94.3	Very high	85.2	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-41.5	173.8	-73.7	-179.3	41.9	0	0	112.1	N17 L18 L19 T25 L46 L49 K50	N17-Q21 VanDerWaalsContact O-CG 3.28Å; N17-Q21 WeakPolarHBondContact O-CG 3.45Å; N17-Q21 PolarHBondContact O-N 3.17Å; L18-Q21 WeakPolarHBondContact O-CB 3.23Å; L18-Q21 PolarHBondContact O-N 3.28Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 3.13Å; Q21-T25 WeakPolarHBondContact O-CB 3.49Å; Q21-T25 PolarHBondContact O-N 2.88Å; Q21-T25 PolarHBondContact O-OG1 3.05Å; Q21-L46 HydrophobicContact CB-CD1 4Å; Q21-L46 HydrophobicContact CG-CD1 4.14Å; Q21-L46 WeakPolarHBondContact O-CD1 3.31Å; Q21-L49 HydrophobicContact CB-CD2 4.45Å; Q21-L49 HydrophobicContact CG-CD2 3.69Å; Q21-L49 HydrophobicContact CG-CG 4.02Å; Q21-K50 HydrophobicContact CG-CG 4.41Å
22	R	94.1	Very high	87.6	Confident	123 Å²	123	43.4 Å²	43.4	46%	0.464	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-49.2	177.1	-178.5	178.6	172.1	167.3	-0.8	111.3	L18 L19 F20 I24 T25 E26 I102	L18-R22 PolarHBondContact O-N 3.5Å; L19-R22 WeakPolarHBondContact O-CB 3.28Å; L19-R22 PolarHBondContact O-N 3.31Å; F20-R22 VanDerWaalsContact C-N 3.31Å; F20-R22 PolarHBondContact O-N 2.64Å; R22-I24 PolarHBondContact O-N 3.47Å; R22-T25 WeakPolarHBondContact O-CB 3.24Å; R22-T25 PolarHBondContact O-N 2.82Å; R22-T25 VanDerWaalsContact O-N 3.14Å; R22-E26 IonicContact CZ-OE1 3.93Å; R22-E26 IonicContact NE-OE1 3.5Å; R22-E26 PolarHBondContact NE-OE1 3.34Å; R22-E26 VanDerWaalsContact NE-OE1 3.12Å; R22-E26 IonicContact NH2-OE1 3.5Å; R22-E26 WeakPolarHBondContact O-CG 3.23Å; R22-E26 PolarHBondContact O-N 3.4Å; R22-I102 HydrophobicContact CB-CD1 4.13Å
23	W	96.1	Very high	89.5	Confident	18 Å²	18	44 Å²	44	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-38.7	-179.6	-67.3	-20.4	0	0	0	113.4	L19 F20 T25 E26 A27 L76 K79 L80 Y83	L19-W23 HydrophobicContact CD1-CH2 4.48Å; L19-W23 HydrophobicContact CD1-CZ2 3.83Å; L19-W23 HydrophobicContact CD2-CH2 3.55Å; L19-W23 HydrophobicContact CD2-CZ2 3.71Å; L19-W23 HydrophobicContact CD2-CZ3 4.23Å; L19-W23 HydrophobicContact CG-CD2 4.33Å; L19-W23 HydrophobicContact CG-CE3 4.5Å; L19-W23 HydrophobicContact CG-CH2 3.83Å; L19-W23 HydrophobicContact CG-CZ2 3.65Å; L19-W23 HydrophobicContact CG-CZ3 4.27Å; L19-W23 PolarHBondContact O-N 3.39Å; F20-W23 AromaticContact CD1-CE3 3.82Å; F20-W23 HydrophobicContact CD1-CE3 3.82Å; F20-W23 AromaticContact CD1-CZ3 3.84Å; F20-W23 HydrophobicContact CD1-CZ3 3.84Å; F20-W23 HydrophobicContact CE1-CE3 4.24Å; F20-W23 AromaticContact CE1-CZ3 3.82Å; F20-W23 HydrophobicContact CE1-CZ3 3.82Å; F20-W23 PolarHBondContact O-N 3.1Å; W23-T25 VanDerWaalsContact C-N 3.32Å; W23-E26 PolarHBondContact O-N 2.86Å; W23-A27 WeakPolarHBondContact O-CB 3.3Å; W23-A27 PolarHBondContact O-N 3.26Å; W23-L76 HydrophobicContact CB-CD2 4.26Å; W23-L76 HydrophobicContact CE3-CD2 4.05Å; W23-K79 HydrophobicContact CB-CD 3.98Å; W23-K79 HydrophobicContact CD2-CB 4.1Å; W23-K79 HydrophobicContact CD2-CD 3.67Å; W23-K79 HydrophobicContact CE3-CB 3.79Å; W23-K79 HydrophobicContact CE3-CD 4.16Å; W23-K79 HydrophobicContact CG-CD 3.56Å; W23-K79 HydrophobicContact CH2-CB 4.27Å; W23-K79 HydrophobicContact CZ3-CB 3.88Å; W23-L80 HydrophobicContact CH2-CB 4.18Å; W23-L80 HydrophobicContact CH2-CD1 3.97Å; W23-L80 HydrophobicContact CZ3-CB 4Å; W23-L80 HydrophobicContact CZ3-CD1 4.34Å; W23-Y83 HydrophobicContact CH2-CD1 4.32Å; W23-Y83 HydrophobicContact CH2-CG 4.35Å; W23-Y83 HydrophobicContact CZ2-CD1 4.13Å; W23-Y83 AromaticContact CZ2-CG 3.95Å; W23-Y83 HydrophobicContact CZ2-CG 3.95Å
24	I	95.5	Very high	91.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-35.9	174.1	-63.3	171.1	0	0	0	110.5	F20 R22 A27 M28 L46 L49 F68 L72 L76	F20-I24 WeakPolarHBondContact O-CB 3.14Å; F20-I24 VanDerWaalsContact O-CG1 3.26Å; F20-I24 WeakPolarHBondContact O-CG1 3.38Å; F20-I24 PolarHBondContact O-N 3.34Å; R22-I24 PolarHBondContact O-N 3.47Å; I24-A27 PolarHBondContact O-N 3.4Å; I24-M28 VanDerWaalsContact O-CB 3.23Å; I24-M28 WeakPolarHBondContact O-CB 3.07Å; I24-M28 PolarHBondContact O-N 3.28Å; I24-L46 HydrophobicContact CB-CD1 4.41Å; I24-L46 HydrophobicContact CG2-CB 3.95Å; I24-L46 HydrophobicContact CG2-CD1 4.39Å; I24-L49 HydrophobicContact CD1-CD2 3.84Å; I24-F68 HydrophobicContact CD1-CE1 3.63Å; I24-F68 HydrophobicContact CD1-CZ 3.59Å; I24-L72 HydrophobicContact CG1-CD1 4.49Å; I24-L76 HydrophobicContact CD1-CD1 4.23Å; I24-L76 HydrophobicContact CG1-CD1 4.48Å; I24-L76 HydrophobicContact CG1-CD2 4.15Å
25	T	95.1	Very high	92.3	Very high	38 Å²	38	50.9 Å²	50.9	23%	0.233	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-46.1	175.5	-58.4	0	0	0	0	111.3	Q21 R22 W23 A27 M28 E29 L46	Q21-T25 WeakPolarHBondContact O-CB 3.49Å; Q21-T25 PolarHBondContact O-N 2.88Å; Q21-T25 PolarHBondContact O-OG1 3.05Å; R22-T25 WeakPolarHBondContact O-CB 3.24Å; R22-T25 PolarHBondContact O-N 2.82Å; R22-T25 VanDerWaalsContact O-N 3.14Å; W23-T25 VanDerWaalsContact C-N 3.32Å; T25-A27 PolarHBondContact O-N 3.47Å; T25-M28 WeakPolarHBondContact O-CB 3.11Å; T25-M28 PolarHBondContact O-N 3.41Å; T25-E29 WeakPolarHBondContact O-CG 3.31Å; T25-E29 PolarHBondContact O-N 2.95Å; T25-L46 WeakPolarHBondContact OG1-CD2 3.48Å
26	E	94.8	Very high	93	Very high	62 Å²	62	51.7 Å²	51.7	29%	0.29	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-44.5	174.9	-70.7	167.9	-172.5	0	0	111.6	R22 W23 M28 E29 N30 K79	R22-E26 IonicContact CZ-OE1 3.93Å; R22-E26 IonicContact NE-OE1 3.5Å; R22-E26 PolarHBondContact NE-OE1 3.34Å; R22-E26 VanDerWaalsContact NE-OE1 3.12Å; R22-E26 IonicContact NH2-OE1 3.5Å; R22-E26 WeakPolarHBondContact O-CG 3.23Å; R22-E26 PolarHBondContact O-N 3.4Å; W23-E26 PolarHBondContact O-N 2.86Å; E26-M28 VanDerWaalsContact C-N 3.33Å; E26-M28 PolarHBondContact O-N 2.96Å; E26-E29 PolarHBondContact O-N 3.49Å; E26-N30 WeakPolarHBondContact O-CB 3.22Å; E26-N30 PolarHBondContact O-N 2.88Å; E26-N30 PolarHBondContact O-ND2 2.87Å; E26-K79 IonicContact OE2-NZ 3.53Å; E26-K79 PolarHBondContact OE2-NZ 3.36Å
27	A	94.6	Very high	93.1	Very high	11 Å²	11	58.7 Å²	58.7	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-37.8	176.3	0	0	0	0	0	112.3	W23 I24 T25 A31 Y42 F75	W23-A27 WeakPolarHBondContact O-CB 3.3Å; W23-A27 PolarHBondContact O-N 3.26Å; I24-A27 PolarHBondContact O-N 3.4Å; T25-A27 PolarHBondContact O-N 3.47Å; A27-A31 WeakPolarHBondContact O-CB 3.43Å; A27-A31 PolarHBondContact O-N 2.9Å; A27-Y42 HydrophobicContact CB-CD2 4.29Å; A27-Y42 HydrophobicContact CB-CE1 4.32Å; A27-Y42 HydrophobicContact CB-CE2 4.04Å; A27-F75 HydrophobicContact CB-CE1 4.15Å; A27-F75 HydrophobicContact CB-CZ 4.11Å
28	M	94.1	Very high	93.1	Very high	22 Å²	22	60.9 Å²	60.9	11%	0.108	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-43.4	175.8	-171.2	-175.4	67	0	0	111.8	I24 T25 E26 A31 F32 Y39 Y42 K43 L46	I24-M28 VanDerWaalsContact O-CB 3.23Å; I24-M28 WeakPolarHBondContact O-CB 3.07Å; I24-M28 PolarHBondContact O-N 3.28Å; T25-M28 WeakPolarHBondContact O-CB 3.11Å; T25-M28 PolarHBondContact O-N 3.41Å; E26-M28 VanDerWaalsContact C-N 3.33Å; E26-M28 PolarHBondContact O-N 2.96Å; M28-A31 PolarHBondContact O-N 3.31Å; M28-F32 WeakPolarHBondContact O-CB 3.44Å; M28-F32 PolarHBondContact O-N 3.49Å; M28-Y39 HydrophobicContact CG-CD2 3.53Å; M28-Y39 HydrophobicContact CG-CE2 3.64Å; M28-Y39 HydrophobicContact SD-CD2 4.46Å; M28-Y39 HydrophobicContact SD-CE2 4.04Å; M28-Y42 HydrophobicContact CB-CG 4.49Å; M28-K43 HydrophobicContact SD-CB 3.84Å; M28-K43 HydrophobicContact SD-CG 4.32Å; M28-L46 HydrophobicContact CE-CD2 4.2Å; M28-L46 HydrophobicContact SD-CD2 4.42Å
29	E	93.5	Very high	93.2	Very high	120 Å²	120	63.3 Å²	63.3	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-65.2	-40.2	177	-72.7	179.1	175.1	0	0	111.6	T25 E26 F32 A33	T25-E29 WeakPolarHBondContact O-CG 3.31Å; T25-E29 PolarHBondContact O-N 2.95Å; E26-E29 PolarHBondContact O-N 3.49Å; E29-F32 WeakPolarHBondContact O-CB 3.41Å; E29-F32 PolarHBondContact O-N 3.09Å; E29-A33 PolarHBondContact O-N 2.8Å
30	N	93.5	Very high	93.1	Very high	100 Å²	100	70.9 Å²	70.9	54%	0.535	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-39.2	174.1	-74	-25.5	0	0	0	112.7	E26 F32 A33 K34	E26-N30 WeakPolarHBondContact O-CB 3.22Å; E26-N30 PolarHBondContact O-N 2.88Å; E26-N30 PolarHBondContact O-ND2 2.87Å; N30-F32 VanDerWaalsContact C-N 3.34Å; N30-A33 PolarHBondContact O-N 3.42Å; N30-K34 WeakPolarHBondContact O-CG 3.24Å; N30-K34 PolarHBondContact O-N 3.17Å
31	A	93.7	Very high	92.9	Very high	5 Å²	5	73.2 Å²	73.2	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-37.1	174.5	0	0	0	0	0	111.8	A27 M28 K34 D35 A36 S38 Y42	A27-A31 WeakPolarHBondContact O-CB 3.43Å; A27-A31 PolarHBondContact O-N 2.9Å; M28-A31 PolarHBondContact O-N 3.31Å; A31-K34 PolarHBondContact O-N 2.59Å; A31-D35 PolarHBondContact O-N 2.97Å; A31-A36 HydrophobicContact CB-CB 4.26Å; A31-A36 PolarHBondContact O-N 3.17Å; A31-S38 WeakPolarHBondContact CB-OG 3.12Å; A31-Y42 HydrophobicContact CB-CD2 3.92Å; A31-Y42 HydrophobicContact CB-CE2 3.95Å
32	F	92.7	Very high	93	Very high	95 Å²	95	75.5 Å²	75.5	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-64.9	-42.3	173.7	-174.9	-92.2	0	0	0	111.6	M28 E29 N30 K34 D35 Y39	M28-F32 WeakPolarHBondContact O-CB 3.44Å; M28-F32 PolarHBondContact O-N 3.49Å; E29-F32 WeakPolarHBondContact O-CB 3.41Å; E29-F32 PolarHBondContact O-N 3.09Å; N30-F32 VanDerWaalsContact C-N 3.34Å; F32-K34 PolarHBondContact O-N 3.14Å; F32-D35 PolarHBondContact O-N 2.7Å; F32-Y39 HydrophobicContact CB-CD2 3.83Å; F32-Y39 HydrophobicContact CB-CE2 4.14Å; F32-Y39 HydrophobicContact CD2-CD2 4.07Å; F32-Y39 HydrophobicContact CD2-CE1 4.49Å; F32-Y39 AromaticContact CD2-CE2 3.86Å; F32-Y39 HydrophobicContact CD2-CE2 3.86Å; F32-Y39 HydrophobicContact CD2-CG 4.49Å; F32-Y39 HydrophobicContact CG-CD2 4.44Å; F32-Y39 HydrophobicContact CG-CE2 4.39Å
33	A	92.6	Very high	93	Very high	81 Å²	81	74.7 Å²	74.7	67%	0.669	38%	0.377	S	S	*	.	H	α-helix	trans	-66.8	-23	178.2	0	0	0	0	0	113.8	E29 N30	E29-A33 PolarHBondContact O-N 2.8Å; N30-A33 PolarHBondContact O-N 3.42Å
34	K	93.4	Very high	92.9	Very high	171 Å²	171	78.7 Å²	78.7	74%	0.743	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	7.3	178.6	-65.9	-179.7	-179.3	-176.5	0	113.5	N30 A31 F32 A36	N30-K34 WeakPolarHBondContact O-CG 3.24Å; N30-K34 PolarHBondContact O-N 3.17Å; A31-K34 PolarHBondContact O-N 2.59Å; F32-K34 PolarHBondContact O-N 3.14Å; K34-A36 HydrophobicContact CB-CB 4.45Å; K34-A36 PolarHBondContact O-N 3.04Å
35	D	85	Confident	92.9	Very high	150 Å²	150	78.7 Å²	78.7	80%	0.802	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	34.7	-171.2	-74	-39.2	0	0	0	113.6	A31 F32	A31-D35 PolarHBondContact O-N 2.97Å; F32-D35 PolarHBondContact O-N 2.7Å
36	A	91.2	Very high	92.9	Very high	34 Å²	34	77.7 Å²	77.7	28%	0.281	39%	0.388	S	S	.	.			trans	-83	133.5	-177.4	0	0	0	0	0	111.1	A31 K34 S38 Y39	A31-A36 HydrophobicContact CB-CB 4.26Å; A31-A36 PolarHBondContact O-N 3.17Å; K34-A36 HydrophobicContact CB-CB 4.45Å; K34-A36 PolarHBondContact O-N 3.04Å; A36-S38 PolarHBondContact O-N 2.84Å; A36-Y39 WeakPolarHBondContact O-CB 3.11Å; A36-Y39 PolarHBondContact O-N 2.88Å
37	K	88.7	Confident	92.8	Very high	192 Å²	192	77.7 Å²	77.7	84%	0.835	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.2	177.1	-66.5	-175.4	179.9	179.4	0	113.7	Y39 Y40	K37-Y39 PolarHBondContact O-N 2.83Å; K37-Y40 PolarHBondContact O-N 3.41Å
38	S	90.4	Very high	92.7	Very high	46 Å²	46	78.2 Å²	78.2	32%	0.322	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-19.4	174.1	54	0	0	0	0	113.5	A31 A36 Y40 A41 Y42	A31-S38 WeakPolarHBondContact CB-OG 3.12Å; A36-S38 PolarHBondContact O-N 2.84Å; S38-Y40 VanDerWaalsContact C-N 3.27Å; S38-Y40 PolarHBondContact O-N 3.44Å; S38-A41 WeakPolarHBondContact O-CB 3.43Å; S38-A41 PolarHBondContact O-N 2.73Å; S38-Y42 VanDerWaalsContact O-CD2 3.29Å; S38-Y42 WeakPolarHBondContact O-CD2 3.41Å; S38-Y42 PolarHBondContact O-N 3.46Å
39	Y	93.6	Very high	92.7	Very high	54 Å²	54	77.1 Å²	77.1	21%	0.212	39%	0.393	C	S	.	.	H	α-helix	trans	-49.9	-46	172.8	168.3	-104.3	0	0	0	112.7	M28 F32 A36 K37 A41 Y42 K43	M28-Y39 HydrophobicContact CG-CD2 3.53Å; M28-Y39 HydrophobicContact CG-CE2 3.64Å; M28-Y39 HydrophobicContact SD-CD2 4.46Å; M28-Y39 HydrophobicContact SD-CE2 4.04Å; F32-Y39 HydrophobicContact CB-CD2 3.83Å; F32-Y39 HydrophobicContact CB-CE2 4.14Å; F32-Y39 HydrophobicContact CD2-CD2 4.07Å; F32-Y39 HydrophobicContact CD2-CE1 4.49Å; F32-Y39 AromaticContact CD2-CE2 3.86Å; F32-Y39 HydrophobicContact CD2-CE2 3.86Å; F32-Y39 HydrophobicContact CD2-CG 4.49Å; F32-Y39 HydrophobicContact CG-CD2 4.44Å; F32-Y39 HydrophobicContact CG-CE2 4.39Å; A36-Y39 WeakPolarHBondContact O-CB 3.11Å; A36-Y39 PolarHBondContact O-N 2.88Å; K37-Y39 PolarHBondContact O-N 2.83Å; Y39-A41 VanDerWaalsContact C-N 3.34Å; Y39-A41 PolarHBondContact O-N 3.05Å; Y39-Y42 PolarHBondContact O-N 3.15Å; Y39-K43 HydrophobicContact CE1-CD 4.33Å; Y39-K43 WeakPolarHBondContact O-CB 3.33Å; Y39-K43 PolarHBondContact O-N 3.31Å
40	Y	92.3	Very high	92.6	Very high	163 Å²	163	75.1 Å²	75.1	64%	0.639	38%	0.382	S	S	*	.	H	α-helix	trans	-69	-33.2	-178.9	-62	-77.6	0	0	0	112.4	K37 S38 K44	K37-Y40 PolarHBondContact O-N 3.41Å; S38-Y40 VanDerWaalsContact C-N 3.27Å; S38-Y40 PolarHBondContact O-N 3.44Å; Y40-K44 PolarHBondContact O-N 2.7Å; Y40-K44 VanDerWaalsContact O-N 3.11Å
41	A	92.1	Very high	92.4	Very high	50 Å²	50	78.9 Å²	78.9	41%	0.413	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-47.4	174.4	0	0	0	0	0	111	S38 Y39 K43 K44 A45	S38-A41 WeakPolarHBondContact O-CB 3.43Å; S38-A41 PolarHBondContact O-N 2.73Å; Y39-A41 VanDerWaalsContact C-N 3.34Å; Y39-A41 PolarHBondContact O-N 3.05Å; A41-K43 PolarHBondContact O-N 2.88Å; A41-K44 PolarHBondContact O-N 3.08Å; A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 3.4Å
42	Y	95.4	Very high	92.2	Very high	51 Å²	51	81.3 Å²	81.3	20%	0.2	40%	0.402	C	S	.	.	H	α-helix	trans	-64.4	-39	176.5	-61	-45.1	0	0	0	112.7	A27 M28 A31 S38 Y39 K44 A45 L46 L72	A27-Y42 HydrophobicContact CB-CD2 4.29Å; A27-Y42 HydrophobicContact CB-CE1 4.32Å; A27-Y42 HydrophobicContact CB-CE2 4.04Å; M28-Y42 HydrophobicContact CB-CG 4.49Å; A31-Y42 HydrophobicContact CB-CD2 3.92Å; A31-Y42 HydrophobicContact CB-CE2 3.95Å; S38-Y42 VanDerWaalsContact O-CD2 3.29Å; S38-Y42 WeakPolarHBondContact O-CD2 3.41Å; S38-Y42 PolarHBondContact O-N 3.46Å; Y39-Y42 PolarHBondContact O-N 3.15Å; Y42-K44 VanDerWaalsContact C-N 3.32Å; Y42-K44 PolarHBondContact O-N 3Å; Y42-A45 PolarHBondContact O-N 3.28Å; Y42-L46 VanDerWaalsContact O-CB 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.38Å; Y42-L46 PolarHBondContact O-N 3.49Å; Y42-L72 HydrophobicContact CD1-CD1 4Å; Y42-L72 HydrophobicContact CD1-CD2 4.07Å; Y42-L72 HydrophobicContact CE1-CD1 3.66Å; Y42-L72 HydrophobicContact CE1-CD2 4.32Å; Y42-L72 HydrophobicContact CE1-CG 4.48Å
43	K	94.4	Very high	91.9	Very high	105 Å²	105	81.9 Å²	81.9	46%	0.457	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-40.1	176.1	-174.2	-179.2	176.9	-174.5	0	112.2	M28 Y39 A41 S47	M28-K43 HydrophobicContact SD-CB 3.84Å; M28-K43 HydrophobicContact SD-CG 4.32Å; Y39-K43 HydrophobicContact CE1-CD 4.33Å; Y39-K43 WeakPolarHBondContact O-CB 3.33Å; Y39-K43 PolarHBondContact O-N 3.31Å; A41-K43 PolarHBondContact O-N 2.88Å; K43-S47 PolarHBondContact O-N 3.36Å; K43-S47 PolarHBondContact O-OG 2.97Å
44	K	94.1	Very high	91.7	Very high	103 Å²	103	83.2 Å²	83.2	45%	0.448	41%	0.411	S	S	.	.	H	α-helix	trans	-68.5	-48.6	176	-168.2	174.1	-178.2	-178	0	110.9	Y40 A41 Y42 L46 S47 S48 E66	Y40-K44 PolarHBondContact O-N 2.7Å; Y40-K44 VanDerWaalsContact O-N 3.11Å; A41-K44 PolarHBondContact O-N 3.08Å; Y42-K44 VanDerWaalsContact C-N 3.32Å; Y42-K44 PolarHBondContact O-N 3Å; K44-L46 PolarHBondContact O-N 3.01Å; K44-S47 PolarHBondContact O-N 3.16Å; K44-S47 VanDerWaalsContact O-N 3.17Å; K44-S48 PolarHBondContact O-N 3.41Å; K44-S48 VanDerWaalsContact O-N 3.1Å; K44-S48 PolarHBondContact O-OG 2.98Å; K44-E66 WeakPolarHBondContact CE-OE1 3.36Å; K44-E66 IonicContact NZ-OE1 3.12Å; K44-E66 PolarHBondContact NZ-OE1 2.82Å
45	A	95.6	Very high	91.4	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-57.7	-45.9	177.5	0	0	0	0	0	112.6	A41 Y42 S47 S48 L49 F68 L72	A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 3.4Å; Y42-A45 PolarHBondContact O-N 3.28Å; A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 2.83Å; A45-S48 PolarHBondContact O-N 3.12Å; A45-L49 WeakPolarHBondContact O-CB 3.01Å; A45-L49 PolarHBondContact O-N 2.78Å; A45-F68 HydrophobicContact CB-CD2 4Å; A45-F68 HydrophobicContact CB-CE1 4.41Å; A45-F68 HydrophobicContact CB-CE2 3.73Å; A45-F68 HydrophobicContact CB-CG 4.48Å; A45-F68 HydrophobicContact CB-CZ 3.95Å; A45-F68 WeakPolarHBondContact O-CE2 3.36Å; A45-L72 HydrophobicContact CB-CD2 3.65Å
46	L	94.8	Very high	91.7	Very high	16 Å²	16	70.7 Å²	70.7	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-37.3	177.8	-173.5	63.9	0	0	0	112.3	Q21 I24 T25 M28 Y42 K44 K50	Q21-L46 HydrophobicContact CB-CD1 4Å; Q21-L46 HydrophobicContact CG-CD1 4.14Å; Q21-L46 WeakPolarHBondContact O-CD1 3.31Å; I24-L46 HydrophobicContact CB-CD1 4.41Å; I24-L46 HydrophobicContact CG2-CB 3.95Å; I24-L46 HydrophobicContact CG2-CD1 4.39Å; T25-L46 WeakPolarHBondContact OG1-CD2 3.48Å; M28-L46 HydrophobicContact CE-CD2 4.2Å; M28-L46 HydrophobicContact SD-CD2 4.42Å; Y42-L46 VanDerWaalsContact O-CB 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.38Å; Y42-L46 PolarHBondContact O-N 3.49Å; K44-L46 PolarHBondContact O-N 3.01Å; L46-K50 WeakPolarHBondContact O-CB 3.37Å; L46-K50 WeakPolarHBondContact O-CG 3.27Å; L46-K50 PolarHBondContact O-N 2.76Å; L46-K50 VanDerWaalsContact O-N 3.11Å
47	S	93.1	Very high	91.7	Very high	62 Å²	62	74.4 Å²	74.4	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-68.6	-37.4	178	-58.9	0	0	0	0	112	K43 K44 A45 K51	K43-S47 PolarHBondContact O-N 3.36Å; K43-S47 PolarHBondContact O-OG 2.97Å; K44-S47 PolarHBondContact O-N 3.16Å; K44-S47 VanDerWaalsContact O-N 3.17Å; A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 2.83Å; S47-K51 WeakPolarHBondContact O-CG 3Å
48	S	93	Very high	91.9	Very high	22 Å²	22	66.8 Å²	66.8	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-69.4	-44.4	175	-57.3	0	0	0	0	111.8	K44 A45 K50 K51 Y52 E66	K44-S48 PolarHBondContact O-N 3.41Å; K44-S48 VanDerWaalsContact O-N 3.1Å; K44-S48 PolarHBondContact O-OG 2.98Å; A45-S48 PolarHBondContact O-N 3.12Å; S48-K50 VanDerWaalsContact C-N 3.32Å; S48-K50 PolarHBondContact O-N 2.84Å; S48-K51 PolarHBondContact O-N 3.27Å; S48-K51 VanDerWaalsContact O-N 3.15Å; S48-Y52 PolarHBondContact O-N 2.98Å; S48-E66 VanDerWaalsContact CB-O 3.28Å; S48-E66 WeakPolarHBondContact CB-O 3.43Å; S48-E66 PolarHBondContact OG-O 2.82Å
49	L	92.9	Very high	92	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-33.6	-178.9	-170.3	66.1	0	0	0	112.8	N17 F20 Q21 I24 A45 K51 Y52 L56 L65 F68	N17-L49 HydrophobicContact CB-CD1 3.74Å; N17-L49 HydrophobicContact CB-CD2 4.25Å; N17-L49 HydrophobicContact CB-CG 3.97Å; F20-L49 HydrophobicContact CB-CD2 3.64Å; Q21-L49 HydrophobicContact CB-CD2 4.45Å; Q21-L49 HydrophobicContact CG-CD2 3.69Å; Q21-L49 HydrophobicContact CG-CG 4.02Å; I24-L49 HydrophobicContact CD1-CD2 3.84Å; A45-L49 WeakPolarHBondContact O-CB 3.01Å; A45-L49 PolarHBondContact O-N 2.78Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 3.25Å; L49-Y52 PolarHBondContact O-N 3.19Å; L49-L56 HydrophobicContact CD1-CD1 3.71Å; L49-L65 HydrophobicContact CB-CD1 4.32Å; L49-L65 HydrophobicContact CD1-CD1 3.58Å; L49-F68 HydrophobicContact CB-CE2 4.32Å; L49-F68 HydrophobicContact CB-CZ 4.05Å; L49-F68 HydrophobicContact CD1-CZ 4.31Å; L49-F68 HydrophobicContact CD2-CZ 4.31Å; L49-F68 HydrophobicContact CG-CZ 4.46Å
50	K	91.7	Very high	92	Very high	77 Å²	77	68.5 Å²	68.5	34%	0.335	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-28	174.4	-80.2	-177.1	175.8	-162.6	0	113.9	Q21 L46 S48	Q21-K50 HydrophobicContact CG-CG 4.41Å; L46-K50 WeakPolarHBondContact O-CB 3.37Å; L46-K50 WeakPolarHBondContact O-CG 3.27Å; L46-K50 PolarHBondContact O-N 2.76Å; L46-K50 VanDerWaalsContact O-N 3.11Å; S48-K50 VanDerWaalsContact C-N 3.32Å; S48-K50 PolarHBondContact O-N 2.84Å
51	K	89.4	Confident	92	Very high	179 Å²	179	64.3 Å²	64.3	78%	0.778	32%	0.323	S	S	*	.	H	α-helix	trans	-88.9	-10.3	179.8	-66.6	178	-178.6	-176.6	0	113.1	S47 S48 L49 P53	S47-K51 WeakPolarHBondContact O-CG 3Å; S48-K51 PolarHBondContact O-N 3.27Å; S48-K51 VanDerWaalsContact O-N 3.15Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 3.25Å; K51-P53 WeakPolarHBondContact O-CD 3.37Å
52	Y	89.8	Confident	92	Very high	56 Å²	56	61.9 Å²	61.9	22%	0.22	30%	0.303	C	S	.	.			trans	-83.5	120.2	-174.2	-167.4	-112.2	0	0	0	111.1	S48 L49 L54 L56 I64 L65	S48-Y52 PolarHBondContact O-N 2.98Å; L49-Y52 PolarHBondContact O-N 3.19Å; Y52-L54 HydrophobicContact CD1-CB 4.39Å; Y52-L54 WeakPolarHBondContact CD1-O 3.48Å; Y52-L54 HydrophobicContact CE1-CB 3.69Å; Y52-L54 WeakPolarHBondContact CE1-O 3.37Å; Y52-L56 HydrophobicContact CD1-CD1 4.11Å; Y52-L56 HydrophobicContact CD1-CD2 4.15Å; Y52-L56 HydrophobicContact CD1-CG 3.96Å; Y52-L56 HydrophobicContact CE1-CD1 4.29Å; Y52-L56 HydrophobicContact CE1-CD2 3.49Å; Y52-L56 VanDerWaalsContact CE1-CD2 3.49Å; Y52-L56 HydrophobicContact CE1-CG 3.76Å; Y52-I64 HydrophobicContact CE1-CD1 4.33Å; Y52-I64 HydrophobicContact CE2-CD1 3.99Å; Y52-I64 VanDerWaalsContact OH-CD1 3.28Å; Y52-I64 WeakPolarHBondContact OH-CD1 3.43Å; Y52-L65 HydrophobicContact CD1-CD1 4.5Å; Y52-L65 HydrophobicContact CD1-CD2 4.45Å; Y52-L65 HydrophobicContact CD2-CD2 3.4Å; Y52-L65 VanDerWaalsContact CD2-CD2 3.4Å; Y52-L65 HydrophobicContact CE2-CD2 3.97Å; Y52-L65 HydrophobicContact CG-CD1 4.21Å; Y52-L65 HydrophobicContact CG-CD2 3.68Å; Y52-L65 HydrophobicContact CG-CG 4.5Å
53	P	85.8	Confident	91.9	Very high	107 Å²	107	66.4 Å²	66.4	70%	0.695	32%	0.324	S	S	*	.			trans	-83.4	-11.8	-168.7	32.3	-35.6	0	0	0	114.5	K51	K51-P53 WeakPolarHBondContact O-CD 3.37Å
54	L	88.5	Confident	91.7	Very high	109 Å²	109	66.3 Å²	66.3	57%	0.571	33%	0.327	S	S	*	.	S	Bend	trans	-105.2	150.2	-178.3	-60	177	0	0	0	111.4	N17 Y52	N17-L54 PolarHBondContact ND2-O 3.12Å; Y52-L54 HydrophobicContact CD1-CB 4.39Å; Y52-L54 WeakPolarHBondContact CD1-O 3.48Å; Y52-L54 HydrophobicContact CE1-CB 3.69Å; Y52-L54 WeakPolarHBondContact CE1-O 3.37Å
55	L	88.2	Confident	91.5	Very high	56 Å²	56	62.4 Å²	62.4	29%	0.293	31%	0.311	S	S	.	.			trans	-74.5	126.3	171.9	-175.3	71	0	0	0	109.4	P16 N17 H96 N99	P16-L55 HydrophobicContact CB-CB 4.3Å; P16-L55 HydrophobicContact CB-CD1 4.41Å; P16-L55 VanDerWaalsContact O-CD1 3.3Å; P16-L55 WeakPolarHBondContact O-CD1 3.46Å; N17-L55 WeakPolarHBondContact OD1-CA 3.46Å; L55-H96 VanDerWaalsContact CD2-CD2 3.42Å; L55-H96 WeakPolarHBondContact CD2-CD2 3.37Å; L55-H96 VanDerWaalsContact CD2-NE2 3.25Å; L55-H96 WeakPolarHBondContact CD2-NE2 3.12Å; L55-N99 WeakPolarHBondContact CD1-ND2 3.45Å
56	L	91	Very high	91.2	Very high	3 Å²	3	67 Å²	67	2%	0.016	33%	0.332	C	S	.	.			trans	-86.7	141	172.5	-63.6	165.9	0	0	0	108.8	N17 F20 L49 Y52 E61 C62 I64 L65 L95	N17-L56 PolarHBondContact OD1-N 3.33Å; F20-L56 HydrophobicContact CE2-CB 4.31Å; L49-L56 HydrophobicContact CD1-CD1 3.71Å; Y52-L56 HydrophobicContact CD1-CD1 4.11Å; Y52-L56 HydrophobicContact CD1-CD2 4.15Å; Y52-L56 HydrophobicContact CD1-CG 3.96Å; Y52-L56 HydrophobicContact CE1-CD1 4.29Å; Y52-L56 HydrophobicContact CE1-CD2 3.49Å; Y52-L56 VanDerWaalsContact CE1-CD2 3.49Å; Y52-L56 HydrophobicContact CE1-CG 3.76Å; L56-E61 HydrophobicContact CB-CB 4.41Å; L56-E61 HydrophobicContact CD2-CB 3.91Å; L56-C62 HydrophobicContact CD1-CB 4.22Å; L56-C62 VanDerWaalsContact CD1-SG 3.54Å; L56-I64 HydrophobicContact CD2-CD1 3.91Å; L56-L65 HydrophobicContact CD1-CD1 3.77Å; L56-L95 WeakPolarHBondContact O-CD2 3.34Å
57	Q	90	Very high	91	Very high	112 Å²	112	67.5 Å²	67.5	52%	0.523	34%	0.342	S	S	.	.	S	Bend	trans	-94.5	-15	-174.1	-58.8	-173.4	11.7	0	0	113.3	E61 L92	Q57-E61 PolarHBondContact N-OE2 2.89Å; Q57-L92 HydrophobicContact CB-CD1 3.88Å; Q57-L92 HydrophobicContact CG-CD1 3.97Å
58	S	94.2	Very high	91	Very high	31 Å²	31	65.2 Å²	65.2	22%	0.217	32%	0.324	C	S	.	.	S	Bend	trans	-152.5	165	176.9	66.2	0	0	0	0	112.3	K60 E61	S58-K60 VanDerWaalsContact C-N 3.28Å; S58-K60 PolarHBondContact O-N 3.03Å; S58-E61 PolarHBondContact O-N 2.68Å; S58-E61 PolarHBondContact OG-N 2.92Å
59	G	91.8	Very high	90.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-36.1	168.6	0	0	0	0	0	112.4	E61 C62 C73 D77	G59-E61 PolarHBondContact O-N 3.22Å; G59-C62 VanDerWaalsContact O-CB 3.24Å; G59-C62 WeakPolarHBondContact O-CB 3.4Å; G59-C62 PolarHBondContact O-N 3.39Å; G59-C62 VanDerWaalsContact O-N 3.14Å; G59-C73 WeakPolarHBondContact O-CB 3.24Å; G59-C73 PolarHBondContact O-SG 2.81Å; G59-D77 VanDerWaalsContact CA-OD1 3.24Å; G59-D77 WeakPolarHBondContact CA-OD1 3.42Å; G59-D77 PolarHBondContact N-OD1 2.87Å
60	K	93.7	Very high	90.9	Very high	136 Å²	136	68.9 Å²	68.9	59%	0.591	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62	-36.9	173.8	-84.2	163.6	-169.5	173.7	0	113.9	S58 C62 K63 D77	S58-K60 VanDerWaalsContact C-N 3.28Å; S58-K60 PolarHBondContact O-N 3.03Å; K60-C62 PolarHBondContact O-N 3.37Å; K60-K63 WeakPolarHBondContact O-CB 3.49Å; K60-K63 PolarHBondContact O-N 3.24Å; K60-D77 WeakPolarHBondContact CD-OD2 3.45Å; K60-D77 VanDerWaalsContact CG-OD2 3.24Å; K60-D77 WeakPolarHBondContact CG-OD2 3.5Å; K60-D77 PolarHBondContact N-OD2 2.99Å
61	E	92.6	Very high	91	Very high	75 Å²	75	74.3 Å²	74.3	35%	0.35	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-65.9	-25.3	175.3	-74.5	-173.3	176.5	0	0	112.5	L56 Q57 S58 G59 K63 I64	L56-E61 HydrophobicContact CB-CB 4.41Å; L56-E61 HydrophobicContact CD2-CB 3.91Å; Q57-E61 PolarHBondContact N-OE2 2.89Å; S58-E61 PolarHBondContact O-N 2.68Å; S58-E61 PolarHBondContact OG-N 2.92Å; G59-E61 PolarHBondContact O-N 3.22Å; E61-K63 PolarHBondContact O-N 2.9Å; E61-I64 WeakPolarHBondContact O-CG1 3.26Å; E61-I64 PolarHBondContact O-N 2.89Å
62	C	92.1	Very high	91.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-63.4	-13.4	176.3	-57	0	0	0	0	113.2	L56 G59 K60 I64 L65 F68	L56-C62 HydrophobicContact CD1-CB 4.22Å; L56-C62 VanDerWaalsContact CD1-SG 3.54Å; G59-C62 VanDerWaalsContact O-CB 3.24Å; G59-C62 WeakPolarHBondContact O-CB 3.4Å; G59-C62 PolarHBondContact O-N 3.39Å; G59-C62 VanDerWaalsContact O-N 3.14Å; K60-C62 PolarHBondContact O-N 3.37Å; C62-I64 PolarHBondContact O-N 3.02Å; C62-I64 VanDerWaalsContact O-N 3.13Å; C62-L65 WeakPolarHBondContact O-CB 3.38Å; C62-L65 PolarHBondContact O-N 2.93Å; C62-F68 HydrophobicContact CB-CB 4.42Å; C62-F68 HydrophobicContact CB-CD1 3.3Å; C62-F68 HydrophobicContact CB-CD2 4.44Å; C62-F68 HydrophobicContact CB-CE1 3.46Å; C62-F68 VanDerWaalsContact CB-CE1 3.46Å; C62-F68 HydrophobicContact CB-CG 3.82Å; C62-F68 HydrophobicContact CB-CZ 4.11Å; C62-F68 WeakPolarHBondContact O-CB 3.18Å; C62-F68 VanDerWaalsContact O-CG 3.28Å; C62-F68 WeakPolarHBondContact O-CG 3.49Å
63	K	92.5	Very high	91.5	Very high	145 Å²	145	64 Å²	64	63%	0.63	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61.1	-19.1	178.2	-163.6	172.3	-177.4	-180	0	113.5	K60 E61 L65	K60-K63 WeakPolarHBondContact O-CB 3.49Å; K60-K63 PolarHBondContact O-N 3.24Å; E61-K63 PolarHBondContact O-N 2.9Å; K63-L65 PolarHBondContact O-N 3.04Å
64	I	90.3	Very high	92	Very high	104 Å²	104	62.8 Å²	62.8	53%	0.533	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-69.6	-18.4	172.2	72	-174.2	0	0	0	112.7	Y52 L56 E61 C62	Y52-I64 HydrophobicContact CE1-CD1 4.33Å; Y52-I64 HydrophobicContact CE2-CD1 3.99Å; Y52-I64 VanDerWaalsContact OH-CD1 3.28Å; Y52-I64 WeakPolarHBondContact OH-CD1 3.43Å; L56-I64 HydrophobicContact CD2-CD1 3.91Å; E61-I64 WeakPolarHBondContact O-CG1 3.26Å; E61-I64 PolarHBondContact O-N 2.89Å; C62-I64 PolarHBondContact O-N 3.02Å; C62-I64 VanDerWaalsContact O-N 3.13Å
65	L	91.1	Very high	92.3	Very high	21 Å²	21	60.3 Å²	60.3	11%	0.11	31%	0.313	C	S	.	.	S	Bend	trans	-95.6	148.8	-176.4	-58.4	-178.7	0	0	0	112.2	L49 Y52 L56 C62 K63 G67 F68	L49-L65 HydrophobicContact CB-CD1 4.32Å; L49-L65 HydrophobicContact CD1-CD1 3.58Å; Y52-L65 HydrophobicContact CD1-CD1 4.5Å; Y52-L65 HydrophobicContact CD1-CD2 4.45Å; Y52-L65 HydrophobicContact CD2-CD2 3.4Å; Y52-L65 VanDerWaalsContact CD2-CD2 3.4Å; Y52-L65 HydrophobicContact CE2-CD2 3.97Å; Y52-L65 HydrophobicContact CG-CD1 4.21Å; Y52-L65 HydrophobicContact CG-CD2 3.68Å; Y52-L65 HydrophobicContact CG-CG 4.5Å; L56-L65 HydrophobicContact CD1-CD1 3.77Å; C62-L65 WeakPolarHBondContact O-CB 3.38Å; C62-L65 PolarHBondContact O-N 2.93Å; K63-L65 PolarHBondContact O-N 3.04Å; L65-G67 PolarHBondContact O-N 2.9Å; L65-F68 HydrophobicContact CB-CD2 3.53Å; L65-F68 HydrophobicContact CB-CE2 3.72Å; L65-F68 HydrophobicContact CB-CG 4.48Å; L65-F68 HydrophobicContact CD1-CE2 3.98Å; L65-F68 HydrophobicContact CD1-CZ 4.46Å; L65-F68 HydrophobicContact CG-CE2 4.5Å; L65-F68 PolarHBondContact O-N 2.85Å
66	E	89.7	Confident	92.7	Very high	95 Å²	95	57.6 Å²	57.6	44%	0.444	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	130.7	-178.4	-143.4	-176.3	150.9	0	0	111.5	K44 S48 K638	K44-E66 WeakPolarHBondContact CE-OE1 3.36Å; K44-E66 IonicContact NZ-OE1 3.12Å; K44-E66 PolarHBondContact NZ-OE1 2.82Å; S48-E66 VanDerWaalsContact CB-O 3.28Å; S48-E66 WeakPolarHBondContact CB-O 3.43Å; S48-E66 PolarHBondContact OG-O 2.82Å; E66-K638 IonicContact OE2-NZ 2.72Å
67	G	89.5	Confident	92.9	Very high	28 Å²	28	58.6 Å²	58.6	29%	0.289	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	-3.4	-177.9	0	0	0	0	0	114.9	L65	L65-G67 PolarHBondContact O-N 2.9Å
68	F	94.4	Very high	93.2	Very high	14 Å²	14	59 Å²	59	6%	0.061	31%	0.306	C	S	.	.			trans	-95	98.7	176.6	-71.4	-96.8	0	0	0	111.4	I24 A45 L49 C62 L65 L72 L76	I24-F68 HydrophobicContact CD1-CE1 3.63Å; I24-F68 HydrophobicContact CD1-CZ 3.59Å; A45-F68 HydrophobicContact CB-CD2 4Å; A45-F68 HydrophobicContact CB-CE1 4.41Å; A45-F68 HydrophobicContact CB-CE2 3.73Å; A45-F68 HydrophobicContact CB-CG 4.48Å; A45-F68 HydrophobicContact CB-CZ 3.95Å; A45-F68 WeakPolarHBondContact O-CE2 3.36Å; L49-F68 HydrophobicContact CB-CE2 4.32Å; L49-F68 HydrophobicContact CB-CZ 4.05Å; L49-F68 HydrophobicContact CD1-CZ 4.31Å; L49-F68 HydrophobicContact CD2-CZ 4.31Å; L49-F68 HydrophobicContact CG-CZ 4.46Å; C62-F68 HydrophobicContact CB-CB 4.42Å; C62-F68 HydrophobicContact CB-CD1 3.3Å; C62-F68 HydrophobicContact CB-CD2 4.44Å; C62-F68 HydrophobicContact CB-CE1 3.46Å; C62-F68 VanDerWaalsContact CB-CE1 3.46Å; C62-F68 HydrophobicContact CB-CG 3.82Å; C62-F68 HydrophobicContact CB-CZ 4.11Å; C62-F68 WeakPolarHBondContact O-CB 3.18Å; C62-F68 VanDerWaalsContact O-CG 3.28Å; C62-F68 WeakPolarHBondContact O-CG 3.49Å; L65-F68 HydrophobicContact CB-CD2 3.53Å; L65-F68 HydrophobicContact CB-CE2 3.72Å; L65-F68 HydrophobicContact CB-CG 4.48Å; L65-F68 HydrophobicContact CD1-CE2 3.98Å; L65-F68 HydrophobicContact CD1-CZ 4.46Å; L65-F68 HydrophobicContact CG-CE2 4.5Å; L65-F68 PolarHBondContact O-N 2.85Å; F68-L72 HydrophobicContact CD1-CD2 3.96Å; F68-L72 HydrophobicContact CD1-CG 4.07Å; F68-L72 HydrophobicContact CE1-CD2 4.25Å; F68-L72 HydrophobicContact CE1-CG 4.44Å; F68-L72 HydrophobicContact CG-CD2 4.46Å; F68-L76 HydrophobicContact CD1-CD1 4.25Å; F68-L76 HydrophobicContact CE1-CD1 3.74Å
69	G	90.1	Very high	93.3	Very high	42 Å²	42	60.3 Å²	60.3	43%	0.433	31%	0.308	S	S	.	.			trans	-89.5	166.1	168.8	0	0	0	0	0	112	K71 L72 C73	G69-K71 VanDerWaalsContact C-N 3.31Å; G69-K71 PolarHBondContact O-N 2.63Å; G69-L72 PolarHBondContact O-N 3.24Å; G69-C73 PolarHBondContact O-N 2.7Å; G69-C73 VanDerWaalsContact O-N 3.08Å
70	A	92.5	Very high	93.5	Very high	56 Å²	56	60.5 Å²	60.5	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-48.2	-49.4	-178.4	0	0	0	0	0	112.9	L72 C73 D74	A70-L72 VanDerWaalsContact C-N 3.27Å; A70-L72 PolarHBondContact O-N 2.7Å; A70-C73 WeakPolarHBondContact O-CB 3.27Å; A70-C73 PolarHBondContact O-N 2.92Å; A70-C73 VanDerWaalsContact O-N 3.09Å; A70-D74 PolarHBondContact O-N 2.93Å; A70-D74 VanDerWaalsContact O-OD2 3.13Å
71	K	93.3	Very high	93.6	Very high	191 Å²	191	57.8 Å²	57.8	83%	0.83	30%	0.301	S	S	*	.	H	α-helix	trans	-56.8	-34.5	178	-65.2	-172.1	177.7	-175	0	114.5	G69 F75	G69-K71 VanDerWaalsContact C-N 3.31Å; G69-K71 PolarHBondContact O-N 2.63Å; K71-F75 WeakPolarHBondContact O-CB 3.43Å; K71-F75 PolarHBondContact O-N 3.07Å; K71-F75 VanDerWaalsContact O-N 3.1Å
72	L	94.3	Very high	93.7	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-79.3	-36.8	178.8	179.3	51.8	0	0	0	111.2	I24 Y42 A45 F68 G69 A70 F75 L76	I24-L72 HydrophobicContact CG1-CD1 4.49Å; Y42-L72 HydrophobicContact CD1-CD1 4Å; Y42-L72 HydrophobicContact CD1-CD2 4.07Å; Y42-L72 HydrophobicContact CE1-CD1 3.66Å; Y42-L72 HydrophobicContact CE1-CD2 4.32Å; Y42-L72 HydrophobicContact CE1-CG 4.48Å; A45-L72 HydrophobicContact CB-CD2 3.65Å; F68-L72 HydrophobicContact CD1-CD2 3.96Å; F68-L72 HydrophobicContact CD1-CG 4.07Å; F68-L72 HydrophobicContact CE1-CD2 4.25Å; F68-L72 HydrophobicContact CE1-CG 4.44Å; F68-L72 HydrophobicContact CG-CD2 4.46Å; G69-L72 PolarHBondContact O-N 3.24Å; A70-L72 VanDerWaalsContact C-N 3.27Å; A70-L72 PolarHBondContact O-N 2.7Å; L72-F75 HydrophobicContact CD1-CD1 3.87Å; L72-L76 HydrophobicContact CD1-CG 4.42Å; L72-L76 WeakPolarHBondContact O-CG 3.26Å; L72-L76 PolarHBondContact O-N 3.31Å; L72-L76 VanDerWaalsContact O-N 3.09Å
73	C	96.1	Very high	93.9	Very high	4 Å²	4	61 Å²	61	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-47.3	171.8	-66.8	0	0	0	0	111.1	G59 G69 A70 F75 L76 D77	G59-C73 WeakPolarHBondContact O-CB 3.24Å; G59-C73 PolarHBondContact O-SG 2.81Å; G69-C73 PolarHBondContact O-N 2.7Å; G69-C73 VanDerWaalsContact O-N 3.08Å; A70-C73 WeakPolarHBondContact O-CB 3.27Å; A70-C73 PolarHBondContact O-N 2.92Å; A70-C73 VanDerWaalsContact O-N 3.09Å; C73-F75 PolarHBondContact O-N 3.2Å; C73-L76 PolarHBondContact O-N 3.4Å; C73-L76 VanDerWaalsContact O-N 3.16Å; C73-D77 PolarHBondContact O-N 2.86Å
74	D	95.9	Very high	94	Very high	82 Å²	82	54.3 Å²	54.3	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-41.4	179.1	-59.6	-28.5	0	0	0	111.2	A70 L76 D77 E78	A70-D74 PolarHBondContact O-N 2.93Å; A70-D74 VanDerWaalsContact O-OD2 3.13Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 3.32Å; D74-D77 PolarHBondContact O-N 3.08Å; D74-E78 WeakPolarHBondContact O-CB 3.42Å; D74-E78 PolarHBondContact O-N 3.29Å
75	F	95	Very high	94.2	Very high	56 Å²	56	54.8 Å²	54.8	25%	0.246	29%	0.292	C	S	.	.	H	α-helix	trans	-58.7	-39.3	173	165.6	-100.2	0	0	0	113.1	A27 K71 L72 C73 K79	A27-F75 HydrophobicContact CB-CE1 4.15Å; A27-F75 HydrophobicContact CB-CZ 4.11Å; K71-F75 WeakPolarHBondContact O-CB 3.43Å; K71-F75 PolarHBondContact O-N 3.07Å; K71-F75 VanDerWaalsContact O-N 3.1Å; L72-F75 HydrophobicContact CD1-CD1 3.87Å; C73-F75 PolarHBondContact O-N 3.2Å; F75-K79 HydrophobicContact CE1-CD 4.42Å; F75-K79 HydrophobicContact CE2-CD 4.3Å; F75-K79 HydrophobicContact CE2-CG 4.27Å; F75-K79 HydrophobicContact CZ-CD 3.88Å; F75-K79 HydrophobicContact CZ-CG 4.29Å; F75-K79 WeakPolarHBondContact O-CB 3.34Å; F75-K79 PolarHBondContact O-N 3.38Å
76	L	96.4	Very high	94.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.6	-39.5	178.6	-73	172.3	0	0	0	112	F20 W23 I24 F68 L72 C73 D74 L80	F20-L76 HydrophobicContact CB-CD2 4.47Å; F20-L76 HydrophobicContact CD1-CD2 4.05Å; F20-L76 HydrophobicContact CG-CD2 4.39Å; W23-L76 HydrophobicContact CB-CD2 4.26Å; W23-L76 HydrophobicContact CE3-CD2 4.05Å; I24-L76 HydrophobicContact CD1-CD1 4.23Å; I24-L76 HydrophobicContact CG1-CD1 4.48Å; I24-L76 HydrophobicContact CG1-CD2 4.15Å; F68-L76 HydrophobicContact CD1-CD1 4.25Å; F68-L76 HydrophobicContact CE1-CD1 3.74Å; L72-L76 HydrophobicContact CD1-CG 4.42Å; L72-L76 WeakPolarHBondContact O-CG 3.26Å; L72-L76 PolarHBondContact O-N 3.31Å; L72-L76 VanDerWaalsContact O-N 3.09Å; C73-L76 PolarHBondContact O-N 3.4Å; C73-L76 VanDerWaalsContact O-N 3.16Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-L76 PolarHBondContact O-N 3.32Å; L76-L80 VanDerWaalsContact O-CB 3.26Å; L76-L80 WeakPolarHBondContact O-CB 3.25Å; L76-L80 PolarHBondContact O-N 3.26Å
77	D	96.4	Very high	94.4	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-41.8	174.7	-78.7	-19.2	0	0	0	111.3	G59 K60 C73 D74 L80 N81	G59-D77 VanDerWaalsContact CA-OD1 3.24Å; G59-D77 WeakPolarHBondContact CA-OD1 3.42Å; G59-D77 PolarHBondContact N-OD1 2.87Å; K60-D77 WeakPolarHBondContact CD-OD2 3.45Å; K60-D77 VanDerWaalsContact CG-OD2 3.24Å; K60-D77 WeakPolarHBondContact CG-OD2 3.5Å; K60-D77 PolarHBondContact N-OD2 2.99Å; C73-D77 PolarHBondContact O-N 2.86Å; D74-D77 PolarHBondContact O-N 3.08Å; D77-L80 PolarHBondContact O-N 3.35Å; D77-N81 WeakPolarHBondContact O-CB 3.5Å; D77-N81 VanDerWaalsContact O-CG 3.25Å; D77-N81 PolarHBondContact O-N 2.88Å; D77-N81 PolarHBondContact O-ND2 2.92Å
78	E	96.4	Very high	94.4	Very high	122 Å²	122	65.8 Å²	65.8	57%	0.57	34%	0.341	S	S	*	.	H	α-helix	trans	-62.8	-47.5	175.8	-171.8	-174.3	166.3	0	0	111.5	D74 L80 N81 N82	D74-E78 WeakPolarHBondContact O-CB 3.42Å; D74-E78 PolarHBondContact O-N 3.29Å; E78-L80 VanDerWaalsContact C-N 3.28Å; E78-L80 PolarHBondContact O-N 3.42Å; E78-N81 PolarHBondContact O-N 3Å; E78-N82 VanDerWaalsContact O-CG 3.29Å; E78-N82 PolarHBondContact O-N 3.01Å; E78-N82 PolarHBondContact O-ND2 2.84Å
79	K	95.9	Very high	94.1	Very high	58 Å²	58	68.3 Å²	68.3	25%	0.252	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-36.8	173.7	-97	-155.1	170.8	-167.7	0	112.4	W23 E26 F75 Y83	W23-K79 HydrophobicContact CB-CD 3.98Å; W23-K79 HydrophobicContact CD2-CB 4.1Å; W23-K79 HydrophobicContact CD2-CD 3.67Å; W23-K79 HydrophobicContact CE3-CB 3.79Å; W23-K79 HydrophobicContact CE3-CD 4.16Å; W23-K79 HydrophobicContact CG-CD 3.56Å; W23-K79 HydrophobicContact CH2-CB 4.27Å; W23-K79 HydrophobicContact CZ3-CB 3.88Å; E26-K79 IonicContact OE2-NZ 3.53Å; E26-K79 PolarHBondContact OE2-NZ 3.36Å; F75-K79 HydrophobicContact CE1-CD 4.42Å; F75-K79 HydrophobicContact CE2-CD 4.3Å; F75-K79 HydrophobicContact CE2-CG 4.27Å; F75-K79 HydrophobicContact CZ-CD 3.88Å; F75-K79 HydrophobicContact CZ-CG 4.29Å; F75-K79 WeakPolarHBondContact O-CB 3.34Å; F75-K79 PolarHBondContact O-N 3.38Å; K79-Y83 VanDerWaalsContact O-CB 3.25Å; K79-Y83 WeakPolarHBondContact O-CB 3.34Å; K79-Y83 PolarHBondContact O-N 3Å
80	L	96.4	Very high	94.1	Very high	3 Å²	3	69 Å²	69	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-68.8	-42.3	179.2	-175.7	57.9	0	0	0	111.8	F20 W23 L76 D77 E78 Y83 A84 A91 L95	F20-L80 HydrophobicContact CE1-CD2 4.34Å; F20-L80 HydrophobicContact CZ-CD2 4.23Å; W23-L80 HydrophobicContact CH2-CB 4.18Å; W23-L80 HydrophobicContact CH2-CD1 3.97Å; W23-L80 HydrophobicContact CZ3-CB 4Å; W23-L80 HydrophobicContact CZ3-CD1 4.34Å; L76-L80 VanDerWaalsContact O-CB 3.26Å; L76-L80 WeakPolarHBondContact O-CB 3.25Å; L76-L80 PolarHBondContact O-N 3.26Å; D77-L80 PolarHBondContact O-N 3.35Å; E78-L80 VanDerWaalsContact C-N 3.28Å; E78-L80 PolarHBondContact O-N 3.42Å; L80-Y83 PolarHBondContact O-N 2.78Å; L80-A84 VanDerWaalsContact O-CB 3.24Å; L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 2.86Å; L80-A91 WeakPolarHBondContact CD1-O 3.2Å; L80-A91 HydrophobicContact CD2-CB 4.17Å; L80-A91 HydrophobicContact CG-CB 4.14Å; L80-L95 HydrophobicContact CD1-CB 3.91Å; L80-L95 HydrophobicContact CD1-CD1 4.15Å; L80-L95 HydrophobicContact CD2-CB 4.36Å; L80-L95 HydrophobicContact CD2-CD2 4.28Å
81	N	95.2	Very high	94	Very high	80 Å²	80	68 Å²	68	43%	0.428	34%	0.344	S	S	.	.	H	α-helix	trans	-64.3	-46.6	176.4	-68.4	-26	0	0	0	111	D77 E78 Y83 A84 D85	D77-N81 WeakPolarHBondContact O-CB 3.5Å; D77-N81 VanDerWaalsContact O-CG 3.25Å; D77-N81 PolarHBondContact O-N 2.88Å; D77-N81 PolarHBondContact O-ND2 2.92Å; E78-N81 PolarHBondContact O-N 3Å; N81-Y83 VanDerWaalsContact C-N 3.31Å; N81-Y83 PolarHBondContact O-N 3.24Å; N81-A84 WeakPolarHBondContact O-CB 2.94Å; N81-A84 PolarHBondContact O-N 3.49Å; N81-A84 VanDerWaalsContact O-N 3.08Å; N81-D85 VanDerWaalsContact O-CG 3.31Å; N81-D85 PolarHBondContact O-N 2.8Å
82	N	95.3	Very high	93.8	Very high	84 Å²	84	62 Å²	62	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-41.2	176.2	-65.9	-17.6	0	0	0	111.9	E78 A84 D85 D86	E78-N82 VanDerWaalsContact O-CG 3.29Å; E78-N82 PolarHBondContact O-N 3.01Å; E78-N82 PolarHBondContact O-ND2 2.84Å; N82-A84 VanDerWaalsContact C-N 3.31Å; N82-A84 PolarHBondContact O-N 3.31Å; N82-D85 PolarHBondContact O-N 2.97Å; N82-D86 WeakPolarHBondContact O-CB 3.36Å; N82-D86 VanDerWaalsContact O-CG 3.3Å; N82-D86 PolarHBondContact O-N 3.39Å
83	Y	95.3	Very high	93.6	Very high	59 Å²	59	66.3 Å²	66.3	23%	0.231	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-31.6	176.3	-173.2	-116.6	0	0	0	112.9	L19 W23 K79 L80 N81 L87 A94	L19-Y83 HydrophobicContact CD1-CE1 4.45Å; L19-Y83 HydrophobicContact CD2-CD1 4Å; L19-Y83 HydrophobicContact CD2-CE1 3.95Å; W23-Y83 HydrophobicContact CH2-CD1 4.32Å; W23-Y83 HydrophobicContact CH2-CG 4.35Å; W23-Y83 HydrophobicContact CZ2-CD1 4.13Å; W23-Y83 AromaticContact CZ2-CG 3.95Å; W23-Y83 HydrophobicContact CZ2-CG 3.95Å; K79-Y83 VanDerWaalsContact O-CB 3.25Å; K79-Y83 WeakPolarHBondContact O-CB 3.34Å; K79-Y83 PolarHBondContact O-N 3Å; L80-Y83 PolarHBondContact O-N 2.78Å; N81-Y83 VanDerWaalsContact C-N 3.31Å; N81-Y83 PolarHBondContact O-N 3.24Å; Y83-L87 HydrophobicContact CD1-CD1 4.02Å; Y83-L87 HydrophobicContact CD2-CD1 4.42Å; Y83-L87 HydrophobicContact CE1-CD1 3.52Å; Y83-L87 HydrophobicContact CE2-CD1 3.95Å; Y83-L87 HydrophobicContact CE2-CG 4.42Å; Y83-L87 HydrophobicContact CG-CD1 4.45Å; Y83-L87 VanDerWaalsContact CZ-CD1 3.48Å; Y83-L87 WeakPolarHBondContact O-CG 3.36Å; Y83-L87 PolarHBondContact O-N 2.67Å; Y83-A94 HydrophobicContact CD1-CB 4.08Å; Y83-A94 WeakPolarHBondContact CE1-O 3.32Å
84	A	94.4	Very high	93.4	Very high	3 Å²	3	66.1 Å²	66.1	3%	0.025	34%	0.34	C	S	.	.	H	α-helix	trans	-72.2	-41.6	175.8	0	0	0	0	0	111.6	L80 N81 N82 L87 Q88 L89 A94	L80-A84 VanDerWaalsContact O-CB 3.24Å; L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 2.86Å; N81-A84 WeakPolarHBondContact O-CB 2.94Å; N81-A84 PolarHBondContact O-N 3.49Å; N81-A84 VanDerWaalsContact O-N 3.08Å; N82-A84 VanDerWaalsContact C-N 3.31Å; N82-A84 PolarHBondContact O-N 3.31Å; A84-L87 CarbonylContact O-C 3.59Å; A84-L87 PolarHBondContact O-N 3.16Å; A84-Q88 WeakPolarHBondContact O-CA 3.24Å; A84-Q88 PolarHBondContact O-N 3.48Å; A84-L89 WeakPolarHBondContact CB-O 3.24Å; A84-L89 PolarHBondContact O-N 3.2Å; A84-A94 HydrophobicContact CB-CB 3.69Å
85	D	94.3	Very high	93.2	Very high	115 Å²	115	62.2 Å²	62.2	62%	0.615	32%	0.319	S	S	*	.	H	α-helix	trans	-63.5	-44.4	175.4	-68.6	-19.6	0	0	0	111.2	N81 N82 L87 Q88	N81-D85 VanDerWaalsContact O-CG 3.31Å; N81-D85 PolarHBondContact O-N 2.8Å; N82-D85 PolarHBondContact O-N 2.97Å; D85-L87 PolarHBondContact O-N 3.38Å; D85-Q88 PolarHBondContact O-N 3.48Å; D85-Q88 VanDerWaalsContact O-N 3.13Å
86	D	93.3	Very high	92.9	Very high	135 Å²	135	64 Å²	64	72%	0.722	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-33.6	176.6	-76.2	-16.5	0	0	0	112.7	N82	N82-D86 WeakPolarHBondContact O-CB 3.36Å; N82-D86 VanDerWaalsContact O-CG 3.3Å; N82-D86 PolarHBondContact O-N 3.39Å
87	L	92.2	Very high	92.6	Very high	58 Å²	58	69 Å²	69	30%	0.304	35%	0.348	S	S	.	.	H	α-helix	trans	-92.5	-7.3	179	-68.1	176.2	0	0	0	113.6	Y83 A84 D85 L89 A94 Y97	Y83-L87 HydrophobicContact CD1-CD1 4.02Å; Y83-L87 HydrophobicContact CD2-CD1 4.42Å; Y83-L87 HydrophobicContact CE1-CD1 3.52Å; Y83-L87 HydrophobicContact CE2-CD1 3.95Å; Y83-L87 HydrophobicContact CE2-CG 4.42Å; Y83-L87 HydrophobicContact CG-CD1 4.45Å; Y83-L87 VanDerWaalsContact CZ-CD1 3.48Å; Y83-L87 WeakPolarHBondContact O-CG 3.36Å; Y83-L87 PolarHBondContact O-N 2.67Å; A84-L87 CarbonylContact O-C 3.59Å; A84-L87 PolarHBondContact O-N 3.16Å; D85-L87 PolarHBondContact O-N 3.38Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 HydrophobicContact CB-CB 4.36Å; L87-L89 HydrophobicContact CB-CD1 4Å; L87-L89 HydrophobicContact CB-CG 4.11Å; L87-L89 HydrophobicContact CD1-CD1 4.31Å; L87-L89 PolarHBondContact O-N 3.32Å; L87-A94 HydrophobicContact CD1-CB 4.38Å; L87-Y97 HydrophobicContact CD1-CD1 3.47Å; L87-Y97 VanDerWaalsContact CD1-CD1 3.47Å; L87-Y97 HydrophobicContact CD1-CE1 3.84Å; L87-Y97 HydrophobicContact CD1-CG 4.4Å; L87-Y97 HydrophobicContact CD2-CD1 4.42Å; L87-Y97 HydrophobicContact CD2-CE1 3.96Å
88	Q	89.6	Confident	92.3	Very high	181 Å²	181	68 Å²	68	85%	0.846	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	42.3	-171.1	-56.9	179	-2.8	0	0	112.8	A84 D85	A84-Q88 WeakPolarHBondContact O-CA 3.24Å; A84-Q88 PolarHBondContact O-N 3.48Å; D85-Q88 PolarHBondContact O-N 3.48Å; D85-Q88 VanDerWaalsContact O-N 3.13Å
89	L	89	Confident	91.9	Very high	67 Å²	67	62.9 Å²	62.9	35%	0.351	32%	0.319	S	S	.	.	S	Bend	trans	-120	163.1	179.4	-69.9	175.1	0	0	0	110.8	A84 L87 E93 A94 Y97	A84-L89 WeakPolarHBondContact CB-O 3.24Å; A84-L89 PolarHBondContact O-N 3.2Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 HydrophobicContact CB-CB 4.36Å; L87-L89 HydrophobicContact CB-CD1 4Å; L87-L89 HydrophobicContact CB-CG 4.11Å; L87-L89 HydrophobicContact CD1-CD1 4.31Å; L87-L89 PolarHBondContact O-N 3.32Å; L89-E93 HydrophobicContact CB-CB 4.08Å; L89-E93 HydrophobicContact CD2-CB 4.43Å; L89-A94 HydrophobicContact CB-CB 4.26Å; L89-Y97 HydrophobicContact CD1-CG 4.48Å
90	S	90.1	Very high	91.5	Very high	57 Å²	57	67.7 Å²	67.7	40%	0.399	34%	0.339	S	S	.	.			trans	-66.5	153.1	167	67.3	0	0	0	0	110.9	L92 E93 A94	S90-L92 PolarHBondContact O-N 2.85Å; S90-L92 VanDerWaalsContact O-N 3.11Å; S90-E93 WeakPolarHBondContact CB-OE2 3.35Å; S90-E93 PolarHBondContact N-OE2 3.47Å; S90-E93 VanDerWaalsContact N-OE2 3.12Å; S90-E93 PolarHBondContact O-N 3.16Å; S90-E93 WeakPolarHBondContact OG-CB 3.45Å; S90-E93 VanDerWaalsContact OG-CG 3.23Å; S90-E93 WeakPolarHBondContact OG-CG 3.38Å; S90-E93 PolarHBondContact OG-N 2.92Å; S90-E93 PolarHBondContact OG-OE2 3.42Å; S90-A94 WeakPolarHBondContact O-CB 3.13Å; S90-A94 PolarHBondContact O-N 3.39Å
91	A	90.2	Very high	91	Very high	34 Å²	34	70.5 Å²	70.5	28%	0.281	36%	0.355	S	S	.	.	H	α-helix	trans	-51.6	-39.2	179.5	0	0	0	0	0	112.9	L80 L95	L80-A91 WeakPolarHBondContact CD1-O 3.2Å; L80-A91 HydrophobicContact CD2-CB 4.17Å; L80-A91 HydrophobicContact CG-CB 4.14Å; A91-L95 WeakPolarHBondContact O-CB 3.45Å; A91-L95 PolarHBondContact O-N 3.41Å
92	L	88.9	Confident	90.5	Very high	66 Å²	66	67.2 Å²	67.2	35%	0.346	34%	0.337	S	S	.	.	H	α-helix	trans	-71.1	-38.8	178.1	-173.5	60.4	0	0	0	112.6	Q57 S90 L95 H96	Q57-L92 HydrophobicContact CB-CD1 3.88Å; Q57-L92 HydrophobicContact CG-CD1 3.97Å; S90-L92 PolarHBondContact O-N 2.85Å; S90-L92 VanDerWaalsContact O-N 3.11Å; L92-L95 PolarHBondContact O-N 2.85Å; L92-H96 PolarHBondContact O-N 3.18Å; L92-H96 VanDerWaalsContact O-N 3.1Å; L92-H96 PolarHBondContact O-ND1 3.05Å
93	E	88.5	Confident	89.6	Confident	106 Å²	106	68.4 Å²	68.4	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-69.4	-42.5	176	-74	165.8	147.4	0	0	111.8	L89 S90 L95 H96 Y97	L89-E93 HydrophobicContact CB-CB 4.08Å; L89-E93 HydrophobicContact CD2-CB 4.43Å; S90-E93 WeakPolarHBondContact CB-OE2 3.35Å; S90-E93 PolarHBondContact N-OE2 3.47Å; S90-E93 VanDerWaalsContact N-OE2 3.12Å; S90-E93 PolarHBondContact O-N 3.16Å; S90-E93 WeakPolarHBondContact OG-CB 3.45Å; S90-E93 VanDerWaalsContact OG-CG 3.23Å; S90-E93 WeakPolarHBondContact OG-CG 3.38Å; S90-E93 PolarHBondContact OG-N 2.92Å; S90-E93 PolarHBondContact OG-OE2 3.42Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.17Å; E93-H96 PolarHBondContact O-N 2.72Å; E93-Y97 VanDerWaalsContact O-CB 3.3Å; E93-Y97 WeakPolarHBondContact O-CB 3.22Å; E93-Y97 PolarHBondContact O-N 2.75Å
94	A	92.6	Very high	88.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-40.5	174.3	0	0	0	0	0	111.2	Y83 A84 L87 L89 S90 Y97 G98	Y83-A94 HydrophobicContact CD1-CB 4.08Å; Y83-A94 WeakPolarHBondContact CE1-O 3.32Å; A84-A94 HydrophobicContact CB-CB 3.69Å; L87-A94 HydrophobicContact CD1-CB 4.38Å; L89-A94 HydrophobicContact CB-CB 4.26Å; S90-A94 WeakPolarHBondContact O-CB 3.13Å; S90-A94 PolarHBondContact O-N 3.39Å; A94-Y97 PolarHBondContact O-N 3.43Å; A94-G98 PolarHBondContact O-N 3.1Å
95	L	91.8	Very high	87.4	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-47.6	175.2	-171	57.2	0	0	0	111.8	L19 F20 L56 L80 A91 L92 E93 G98 N99	L19-L95 HydrophobicContact CB-CD1 4.24Å; L19-L95 HydrophobicContact CD2-CD1 3.8Å; F20-L95 HydrophobicContact CD1-CD1 4.06Å; F20-L95 HydrophobicContact CE1-CD1 3.61Å; F20-L95 HydrophobicContact CE2-CD1 4.31Å; F20-L95 HydrophobicContact CE2-CD2 4.3Å; F20-L95 HydrophobicContact CZ-CD1 3.75Å; F20-L95 HydrophobicContact CZ-CD2 3.95Å; L56-L95 WeakPolarHBondContact O-CD2 3.34Å; L80-L95 HydrophobicContact CD1-CB 3.91Å; L80-L95 HydrophobicContact CD1-CD1 4.15Å; L80-L95 HydrophobicContact CD2-CB 4.36Å; L80-L95 HydrophobicContact CD2-CD2 4.28Å; A91-L95 WeakPolarHBondContact O-CB 3.45Å; A91-L95 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 2.85Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.17Å; L95-G98 PolarHBondContact O-N 2.97Å; L95-N99 WeakPolarHBondContact O-CB 3.44Å; L95-N99 PolarHBondContact O-N 3.09Å; L95-N99 PolarHBondContact O-ND2 3.08Å
96	H	89	Confident	86	Confident	93 Å²	93	71 Å²	71	43%	0.431	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-44.1	176.3	-72.9	119.9	0	0	0	112.1	L55 L92 E93 N99 K100	L55-H96 VanDerWaalsContact CD2-CD2 3.42Å; L55-H96 WeakPolarHBondContact CD2-CD2 3.37Å; L55-H96 VanDerWaalsContact CD2-NE2 3.25Å; L55-H96 WeakPolarHBondContact CD2-NE2 3.12Å; L92-H96 PolarHBondContact O-N 3.18Å; L92-H96 VanDerWaalsContact O-N 3.1Å; L92-H96 PolarHBondContact O-ND1 3.05Å; E93-H96 PolarHBondContact O-N 2.72Å; H96-N99 PolarHBondContact O-N 3.2Å; H96-K100 WeakPolarHBondContact O-CB 3.21Å; H96-K100 PolarHBondContact O-N 3.33Å
97	Y	90.1	Very high	84.1	Confident	106 Å²	106	71.3 Å²	71.3	42%	0.416	37%	0.366	S	S	.	.	H	α-helix	trans	-59.9	-48.8	177.6	179.6	-98.3	0	0	0	111.4	L87 L89 E93 A94 N99 K100 N101	L87-Y97 HydrophobicContact CD1-CD1 3.47Å; L87-Y97 VanDerWaalsContact CD1-CD1 3.47Å; L87-Y97 HydrophobicContact CD1-CE1 3.84Å; L87-Y97 HydrophobicContact CD1-CG 4.4Å; L87-Y97 HydrophobicContact CD2-CD1 4.42Å; L87-Y97 HydrophobicContact CD2-CE1 3.96Å; L89-Y97 HydrophobicContact CD1-CG 4.48Å; E93-Y97 VanDerWaalsContact O-CB 3.3Å; E93-Y97 WeakPolarHBondContact O-CB 3.22Å; E93-Y97 PolarHBondContact O-N 2.75Å; A94-Y97 PolarHBondContact O-N 3.43Å; Y97-N99 PolarHBondContact O-N 2.79Å; Y97-K100 PolarHBondContact O-N 2.8Å; Y97-N101 WeakPolarHBondContact CE1-ND2 3.3Å; Y97-N101 WeakPolarHBondContact O-CB 3.31Å; Y97-N101 PolarHBondContact O-N 3.45Å; Y97-N101 PolarHBondContact OH-ND2 3.15Å; Y97-N101 VanDerWaalsContact OH-ND2 3.15Å
98	G	89.7	Confident	81.5	Confident	1 Å²	1	72 Å²	72	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-63.2	-42	178.3	0	0	0	0	0	112.9	A94 L95 N101 I102	A94-G98 PolarHBondContact O-N 3.1Å; L95-G98 PolarHBondContact O-N 2.97Å; G98-N101 PolarHBondContact O-N 3.08Å; G98-I102 VanDerWaalsContact O-CG1 3.29Å; G98-I102 WeakPolarHBondContact O-CG1 3.43Å; G98-I102 PolarHBondContact O-N 3.12Å
99	N	89.1	Confident	78.9	Confident	14 Å²	14	68.3 Å²	68.3	8%	0.075	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-42.6	174.7	-76.3	-46.9	0	0	0	111.9	P16 L18 L19 L55 L95 H96 Y97 K103	P16-N99 PolarHBondContact O-OD1 2.77Å; L18-N99 WeakPolarHBondContact CA-OD1 3.46Å; L18-N99 PolarHBondContact N-OD1 2.84Å; L19-N99 WeakPolarHBondContact CB-OD1 3.43Å; L19-N99 PolarHBondContact N-OD1 2.93Å; L55-N99 WeakPolarHBondContact CD1-ND2 3.45Å; L95-N99 WeakPolarHBondContact O-CB 3.44Å; L95-N99 PolarHBondContact O-N 3.09Å; L95-N99 PolarHBondContact O-ND2 3.08Å; H96-N99 PolarHBondContact O-N 3.2Å; Y97-N99 PolarHBondContact O-N 2.79Å; N99-K103 WeakPolarHBondContact O-CB 3.26Å; N99-K103 PolarHBondContact O-N 3.05Å
100	K	86.4	Confident	76.1	Confident	159 Å²	159	73.2 Å²	73.2	69%	0.691	39%	0.392	S	S	*	.	H	α-helix	trans	-65.7	-42.9	178.4	-169.3	178.2	179.5	-178.2	0	112.1	H96 Y97 K103 S104	H96-K100 WeakPolarHBondContact O-CB 3.21Å; H96-K100 PolarHBondContact O-N 3.33Å; Y97-K100 PolarHBondContact O-N 2.8Å; K100-K103 PolarHBondContact O-N 3.21Å; K100-S104 PolarHBondContact O-N 3.37Å; K100-S104 PolarHBondContact O-OG 3.04Å
101	N	86.3	Confident	73.2	Confident	62 Å²	62	77.3 Å²	77.3	33%	0.332	41%	0.408	S	S	.	.	H	α-helix	trans	-66.9	-36.1	178.1	-83.8	-9.1	0	0	0	113.3	Y97 G98 S104 S105	Y97-N101 WeakPolarHBondContact CE1-ND2 3.3Å; Y97-N101 WeakPolarHBondContact O-CB 3.31Å; Y97-N101 PolarHBondContact O-N 3.45Å; Y97-N101 PolarHBondContact OH-ND2 3.15Å; Y97-N101 VanDerWaalsContact OH-ND2 3.15Å; G98-N101 PolarHBondContact O-N 3.08Å; N101-S104 WeakPolarHBondContact CA-OG 3.36Å; N101-S104 PolarHBondContact O-OG 3.14Å; N101-S105 WeakPolarHBondContact O-CB 3.05Å; N101-S105 PolarHBondContact O-N 3.35Å; N101-S105 VanDerWaalsContact O-N 3.09Å
102	I	83.6	Confident	70.2	Confident	12 Å²	12	81.6 Å²	81.6	6%	0.062	43%	0.43	C	S	.	.	H	α-helix	trans	-70.2	-40	174.1	-65	165.7	0	0	0	109.8	L18 L19 R22 G98 S104 S105 I106	L18-I102 HydrophobicContact CB-CB 4.1Å; L18-I102 HydrophobicContact CB-CD1 4.41Å; L18-I102 HydrophobicContact CB-CG2 3.86Å; L18-I102 HydrophobicContact CD1-CB 4.37Å; L18-I102 HydrophobicContact CD1-CG2 4.13Å; L18-I102 HydrophobicContact CG-CG2 4.49Å; L19-I102 HydrophobicContact CB-CD1 4.18Å; L19-I102 HydrophobicContact CD1-CD1 3.7Å; R22-I102 HydrophobicContact CB-CD1 4.13Å; G98-I102 VanDerWaalsContact O-CG1 3.29Å; G98-I102 WeakPolarHBondContact O-CG1 3.43Å; G98-I102 PolarHBondContact O-N 3.12Å; I102-S104 PolarHBondContact O-N 3.47Å; I102-S105 PolarHBondContact O-N 2.86Å; I102-I106 HydrophobicContact CG2-CD1 3.77Å; I102-I106 HydrophobicContact CG2-CG1 4.43Å; I102-I106 VanDerWaalsContact O-CG1 3.26Å; I102-I106 WeakPolarHBondContact O-CG1 3.3Å; I102-I106 PolarHBondContact O-N 3.34Å
103	K	78.1	Confident	67.3	Low	108 Å²	108	82.5 Å²	82.5	47%	0.47	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-41.3	177.3	-151.7	170.4	-173.4	177.9	0	111.7	L18 N99 K100 I106 M107	L18-K103 HydrophobicContact CD1-CB 3.72Å; L18-K103 HydrophobicContact CD1-CD 4.45Å; L18-K103 HydrophobicContact CD1-CG 3.98Å; N99-K103 WeakPolarHBondContact O-CB 3.26Å; N99-K103 PolarHBondContact O-N 3.05Å; K100-K103 PolarHBondContact O-N 3.21Å; K103-I106 PolarHBondContact O-N 3.32Å; K103-M107 HydrophobicContact CG-SD 4.38Å; K103-M107 WeakPolarHBondContact O-CB 3.13Å; K103-M107 WeakPolarHBondContact O-CG 3.2Å; K103-M107 PolarHBondContact O-N 3.05Å
104	S	71.4	Confident	64.5	Low	64 Å²	64	83.7 Å²	83.7	45%	0.448	46%	0.462	S	S	.	.	H	α-helix	trans	-65.6	-41.2	175.7	64.6	0	0	0	0	112.1	K100 N101 I102 I106 M107 S108	K100-S104 PolarHBondContact O-N 3.37Å; K100-S104 PolarHBondContact O-OG 3.04Å; N101-S104 WeakPolarHBondContact CA-OG 3.36Å; N101-S104 PolarHBondContact O-OG 3.14Å; I102-S104 PolarHBondContact O-N 3.47Å; S104-I106 VanDerWaalsContact C-N 3.26Å; S104-I106 PolarHBondContact O-N 2.72Å; S104-M107 PolarHBondContact O-N 2.72Å; S104-S108 PolarHBondContact O-N 3.3Å; S104-S108 PolarHBondContact O-OG 3.41Å; S104-S108 VanDerWaalsContact O-OG 3.07Å
105	S	72.2	Confident	61.4	Low	89 Å²	89	93.2 Å²	93.2	62%	0.622	50%	0.504	S	S	*	.	H	α-helix	trans	-65.3	-26.4	175.4	-177.6	0	0	0	0	113.6	N101 I102 S108	N101-S105 WeakPolarHBondContact O-CB 3.05Å; N101-S105 PolarHBondContact O-N 3.35Å; N101-S105 VanDerWaalsContact O-N 3.09Å; I102-S105 PolarHBondContact O-N 2.86Å; S105-S108 PolarHBondContact O-OG 2.99Å
106	I	64.3	Low	58.5	Low	79 Å²	79	99.2 Å²	99.2	41%	0.405	54%	0.54	S	S	.	.	H	α-helix	trans	-82.1	-33.2	175	-65.1	165.8	0	0	0	111.2	I12 L18 I102 K103 S104	I12-I106 HydrophobicContact CB-CD1 4.06Å; I12-I106 HydrophobicContact CG2-CD1 4.01Å; L18-I106 HydrophobicContact CD1-CD1 4.43Å; I102-I106 HydrophobicContact CG2-CD1 3.77Å; I102-I106 HydrophobicContact CG2-CG1 4.43Å; I102-I106 VanDerWaalsContact O-CG1 3.26Å; I102-I106 WeakPolarHBondContact O-CG1 3.3Å; I102-I106 PolarHBondContact O-N 3.34Å; K103-I106 PolarHBondContact O-N 3.32Å; S104-I106 VanDerWaalsContact C-N 3.26Å; S104-I106 PolarHBondContact O-N 2.72Å
107	M	52.2	Low	55.7	Low	142 Å²	142	104.3 Å²	104.3	70%	0.7	56%	0.561	S	S	*	*	H	α-helix	trans	-89.4	-17.4	-176.8	-70.2	-172.3	77.5	0	0	114.5	K103 S104 P109	K103-M107 HydrophobicContact CG-SD 4.38Å; K103-M107 WeakPolarHBondContact O-CB 3.13Å; K103-M107 WeakPolarHBondContact O-CG 3.2Å; K103-M107 PolarHBondContact O-N 3.05Å; S104-M107 PolarHBondContact O-N 2.72Å; M107-P109 VanDerWaalsContact O-CD 3.23Å; M107-P109 WeakPolarHBondContact O-CD 3.34Å; M107-P109 VanDerWaalsContact O-N 3.17Å
108	S	37.9	Very low	52.7	Low	71 Å²	71	104.9 Å²	104.9	50%	0.497	58%	0.579	S	S	.	*			trans	-63.1	116.2	176.5	38	0	0	0	0	110.6	S104 S105 I110	S104-S108 PolarHBondContact O-N 3.3Å; S104-S108 PolarHBondContact O-OG 3.41Å; S104-S108 VanDerWaalsContact O-OG 3.07Å; S105-S108 PolarHBondContact O-OG 2.99Å; S108-I110 PolarHBondContact O-N 2.95Å
109	P	35.4	Very low	49.7	Very low	104 Å²	104	109.7 Å²	109.7	68%	0.675	61%	0.612	S	S	*	*			trans	-66.7	125.2	171.6	-6.3	22.2	0	0	0	107.4	M107 I111	M107-P109 VanDerWaalsContact O-CD 3.23Å; M107-P109 WeakPolarHBondContact O-CD 3.34Å; M107-P109 VanDerWaalsContact O-N 3.17Å; P109-I111 HydrophobicContact CB-CD1 4.35Å; P109-I111 HydrophobicContact CB-CG1 4.2Å; P109-I111 PolarHBondContact O-N 3.02Å
110	I	30.8	Very low	46.9	Very low	170 Å²	170	118.2 Å²	118.2	87%	0.872	65%	0.648	S	S	*	*			trans	-68.1	89.5	163.3	-62.3	172.9	0	0	0	106	S108	S108-I110 PolarHBondContact O-N 2.95Å
111	I	28.2	Very low	44.1	Very low	144 Å²	144	116.4 Å²	116.4	74%	0.738	65%	0.651	S	S	*	*			trans	-115.2	92.8	159.8	-60.5	174.7	0	0	0	105.4	P109	P109-I111 HydrophobicContact CB-CD1 4.35Å; P109-I111 HydrophobicContact CB-CG1 4.2Å; P109-I111 PolarHBondContact O-N 3.02Å
112	T	28.6	Very low	41.5	Very low	123 Å²	123	119.6 Å²	119.6	76%	0.755	67%	0.668	S	S	*	*			trans	-137.8	93.7	152.7	-44.4	0	0	0	0	106
113	A	27.4	Very low	39.1	Very low	85 Å²	85	127.9 Å²	127.9	70%	0.702	71%	0.706	S	S	*	*			trans	-61.3	129.4	157.1	0	0	0	0	0	107.8
114	T	29.1	Very low	36.9	Very low	131 Å²	131	130.9 Å²	130.9	80%	0.804	73%	0.726	S	S	*	*				-178.6	113.2	128.4	33.8	0	0	0	0	108.9
115	K	29.2	Very low	34.9	Very low	201 Å²	201	132.7 Å²	132.7	87%	0.874	74%	0.737	S	S	*	*			trans	-53.4	132.7	157.2	-80.9	172.5	170.7	172.8	0	108.7
116	T	28.9	Very low	33.1	Very low	126 Å²	126	134.6 Å²	134.6	77%	0.773	75%	0.745	S	S	*	*				-175.2	126.3	117.2	13.3	0	0	0	0	114.3
117	K	30.9	Very low	31.7	Very low	200 Å²	200	137.5 Å²	137.5	87%	0.87	76%	0.756	S	S	*	*			trans	46.2	115.4	135.9	-72.8	178.3	174	179.7	0	121.1
118	C	26.9	Very low	30.9	Very low	117 Å²	117	138.1 Å²	138.1	79%	0.791	76%	0.755	S	S	*	*				-146.9	136.9	112.8	-167.7	0	0	0	0	106.4
119	C	27.6	Very low	30.8	Very low	103 Å²	103	140.7 Å²	140.7	70%	0.696	76%	0.764	S	S	*	*	S	Bend	cis	-151.9	167.7	21.4	-51.4	0	0	0	0	110.8
120	K	30.1	Very low	30.9	Very low	193 Å²	193	140.6 Å²	140.6	84%	0.839	77%	0.765	S	S	*	*			trans	100	92.8	168.3	-58.9	-171	178.8	-179.6	0	116.8
121	T	27.7	Very low	31	Very low	121 Å²	121	140 Å²	140	74%	0.742	76%	0.763	S	S	*	*				83.5	117.6	128	41.5	0	0	0	0	120.4
122	N	30.7	Very low	31	Very low	129 Å²	129	140.2 Å²	140.2	69%	0.69	77%	0.765	S	S	*	*			trans	102.3	105	146.8	-59.4	-9.7	0	0	0	118.3
123	Q	33.6	Very low	31.3	Very low	185 Å²	185	144.1 Å²	144.1	86%	0.864	77%	0.772	S	S	*	*			trans	60.5	137.1	136.7	-57.1	172.6	3.4	0	0	117.6
124	L	31.1	Very low	31.2	Very low	171 Å²	171	148.6 Å²	148.6	90%	0.895	78%	0.778	S	S	*	*			cis	-168.9	152.9	-7.9	-167.2	72	0	0	0	104.3
125	P	31.4	Very low	31.4	Very low	103 Å²	103	151.7 Å²	151.7	67%	0.669	78%	0.783	S	S	*	*			trans	-113.5	-173.9	-158.6	39.1	-27.5	0	0	0	116.5
126	T	32.7	Very low	31.3	Very low	128 Å²	128	148.9 Å²	148.9	79%	0.785	78%	0.777	S	S	*	*			trans	113.4	139.8	163.8	59.1	0	0	0	0	115.7
127	E	35	Very low	31.4	Very low	140 Å²	140	148.9 Å²	148.9	65%	0.654	77%	0.771	S	S	*	*			cis	-171.1	151.7	8.5	-116.7	-177.1	157.3	0	0	111.2
128	K	36.5	Very low	31.3	Very low	155 Å²	155	146.1 Å²	146.1	67%	0.674	77%	0.766	S	S	*	*			trans	59.4	151.2	140.6	-70.4	171.5	176.6	155.5	0	121.8
129	D	36.1	Very low	31.3	Very low	126 Å²	126	146.2 Å²	146.2	67%	0.674	77%	0.768	S	S	*	*			cis	-173.3	153.1	4.5	-109.4	-29.2	0	0	0	110.2
130	S	35.8	Very low	31.6	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	77%	0.772	S	S	*	*			trans	61.9	152.7	139.5	71.8	0	0	0	0	121.5
131	L	33.8	Very low	31.6	Very low	158 Å²	158	143.6 Å²	143.6	83%	0.827	77%	0.774	S	S	*	*			cis	-168.6	157.8	16.4	-119.7	157.8	0	0	0	110.8
132	L	28.6	Very low	31.9	Very low	148 Å²	148	143.3 Å²	143.3	78%	0.775	78%	0.777	S	S	*	*			trans	-74.7	156.7	-179.6	-63.1	141.7	0	0	0	115.3
133	K	33.5	Very low	31.8	Very low	205 Å²	205	144.6 Å²	144.6	89%	0.891	78%	0.784	S	S	*	*				167.8	140.5	110.3	-93.7	177.5	179.1	-179.9	0	114.7
134	E	26.2	Very low	31.7	Very low	179 Å²	179	141.8 Å²	141.8	84%	0.836	78%	0.779	S	S	*	*			trans	-72	154.3	172	-55.8	176.3	146.3	0	0	112.6
135	H	33.5	Very low	31.7	Very low	196 Å²	196	139.7 Å²	139.7	91%	0.907	77%	0.774	S	S	*	*			trans	-163.2	160.9	130.1	-105	-56.4	0	0	0	111.8
136	N	26.7	Very low	31.4	Very low	141 Å²	141	140.9 Å²	140.9	75%	0.754	78%	0.779	S	S	*	*			trans	-119.9	174.5	-149.7	-162	-0.3	0	0	0	108.2
137	I	31.6	Very low	31.2	Very low	126 Å²	126	140.1 Å²	140.1	65%	0.646	78%	0.776	S	S	*	*			trans	102.3	114.5	151.2	-57.5	158.4	0	0	0	119.3
138	N	28.9	Very low	30.8	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	78%	0.781	S	S	*	*			trans	79.3	122.2	137.3	-70.5	-2.6	0	0	0	125.5
139	S	27.5	Very low	30.4	Very low	118 Å²	118	140.4 Å²	140.4	83%	0.825	79%	0.789	S	S	*	*				48.4	127.4	127.6	71.5	0	0	0	0	121.2
140	G	33.2	Very low	29.8	Very low	76 Å²	76	140.9 Å²	140.9	78%	0.784	79%	0.79	S	S	*	*			trans	-173.9	120	159.2	0	0	0	0	0	111.5
141	D	29.3	Very low	29.5	Very low	165 Å²	165	143.4 Å²	143.4	88%	0.882	79%	0.793	S	S	*	*			trans	-51.4	151.3	174.4	-70.3	-53.1	0	0	0	114.6
142	S	34	Very low	29.1	Very low	115 Å²	115	143 Å²	143	80%	0.804	79%	0.787	S	S	*	*				179.9	134.2	125.4	51.7	0	0	0	0	111.7
143	D	28.4	Very low	28.9	Very low	156 Å²	156	141 Å²	141	83%	0.834	78%	0.782	S	S	*	*			trans	-34.7	153.2	168.6	-77.6	-50.5	0	0	0	116.3
144	V	32.1	Very low	28.8	Very low	126 Å²	126	138.1 Å²	138.1	76%	0.764	78%	0.776	S	S	*	*				171	109.2	125.9	158.3	0	0	0	0	109.8
145	T	30.7	Very low	28.8	Very low	127 Å²	127	134 Å²	134	78%	0.779	77%	0.772	S	S	*	*			trans	47.6	120.3	132.3	-29.7	0	0	0	0	121.1
146	V	24.8	Very low	28.7	Very low	129 Å²	129	131.6 Å²	131.6	78%	0.782	77%	0.772	S	S	*	*			trans	-60.6	146	170	-159	0	0	0	0	112.4
147	P	29.7	Very low	28.7	Very low	112 Å²	112	133.1 Å²	133.1	73%	0.727	77%	0.774	S	S	*	*			trans	-126.4	128.4	143.4	12.2	9	0	0	0	113.3
148	N	26.1	Very low	28.4	Very low	143 Å²	143	134 Å²	134	77%	0.765	78%	0.78	S	S	*	*			trans	-49.6	134.4	159.6	-75.1	-47.3	0	0	0	111.4
149	L	28.1	Very low	28.4	Very low	158 Å²	158	136.6 Å²	136.6	83%	0.827	79%	0.785	S	S	*	*			trans	-99.1	97.4	158.4	-113.3	85.1	0	0	0	109
150	I	24.1	Very low	28.4	Very low	135 Å²	135	136.9 Å²	136.9	69%	0.692	78%	0.781	S	S	*	*			trans	-95.2	125.7	157.5	-70.3	172.2	0	0	0	106.2	Q152	I150-Q152 HydrophobicContact CG2-CG 4.14Å
151	I	29	Very low	28.1	Very low	155 Å²	155	139.5 Å²	139.5	80%	0.795	78%	0.782	S	S	*	*			trans	-105	98.6	162	-64.5	177.8	0	0	0	107.1
152	Q	24.8	Very low	28	Very low	150 Å²	150	136.1 Å²	136.1	70%	0.701	77%	0.771	S	S	*	*			trans	-65.7	154.7	151.3	-91.2	179.4	-18.2	0	0	108.2	I150	I150-Q152 HydrophobicContact CG2-CG 4.14Å
153	T	25.1	Very low	27.6	Very low	107 Å²	107	139.3 Å²	139.3	66%	0.656	77%	0.773	S	S	*	*			cis	176.6	168.2	38	8.4	0	0	0	0	110.1
154	N	30.1	Very low	27.7	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	76%	0.763	S	S	*	*			trans	98	96.2	156.8	-55.1	-25.5	0	0	0	115.5
155	A	26.7	Very low	27.5	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	76%	0.757	S	S	*	*				70.1	92.6	58.8	0	0	0	0	0	114
156	T	31.4	Very low	27.4	Very low	145 Å²	145	137.9 Å²	137.9	89%	0.89	75%	0.754	S	S	*	*			trans	-139	104.6	141.6	48.7	0	0	0	0	108
157	H	27.4	Very low	27.8	Very low	174 Å²	174	137.6 Å²	137.6	81%	0.806	75%	0.748	S	S	*	*			trans	-61.4	167.2	161.2	-112.2	-107.3	0	0	0	110.3
158	D	25.9	Very low	27.9	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	74%	0.744	S	S	*	*			trans	95.3	74	163.6	-52.9	-22.3	0	0	0	118
159	K	28.7	Very low	28.3	Very low	197 Å²	197	138.4 Å²	138.4	86%	0.857	74%	0.742	S	S	*	*	S	Bend	trans	-167.2	14.6	134.7	-114.8	175.9	-178.9	-176.2	0	116.1	T161	K159-T161 PolarHBondContact O-N 3.46Å
160	V	26.4	Very low	28.8	Very low	124 Å²	124	135.6 Å²	135.6	75%	0.752	73%	0.727	S	S	*	*			trans	-100.5	69.1	-179.5	-172.9	0	0	0	0	109.6	I164	V160-I164 HydrophobicContact CG1-CD1 4.46Å
161	T	26.4	Very low	29.5	Very low	131 Å²	131	133.2 Å²	133.2	80%	0.804	72%	0.715	S	S	*	*	S	Bend	trans	-153.5	4.3	171.5	33.7	0	0	0	0	116.1	K159	K159-T161 PolarHBondContact O-N 3.46Å
162	S	27.5	Very low	29.9	Very low	93 Å²	93	134.6 Å²	134.6	65%	0.65	72%	0.716	S	S	*	*	S	Bend	trans	-131.8	4.3	-177	57.4	0	0	0	0	117.6
163	E	27.3	Very low	30.8	Very low	182 Å²	182	135.7 Å²	135.7	85%	0.85	72%	0.721	S	S	*	*	S	Bend	trans	-115.9	3.3	-178.9	-71	-177.5	172.7	0	0	114.5
164	I	28.6	Very low	32.3	Very low	120 Å²	120	133.6 Å²	133.6	62%	0.615	70%	0.701	S	S	*	*	S	Bend	trans	-88.6	-8.7	-179.1	-63.2	174	0	0	0	112.4	V160 N166	V160-I164 HydrophobicContact CG1-CD1 4.46Å; I164-N166 PolarHBondContact O-N 2.9Å
165	I	28.5	Very low	34	Very low	124 Å²	124	129.1 Å²	129.1	64%	0.636	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-8	-172.9	-63.2	174.2	0	0	0	113.6
166	N	29.7	Very low	36	Very low	136 Å²	136	130 Å²	130	73%	0.727	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-1.8	-176.4	-76.1	-17.9	0	0	0	115.9	I164	I164-N166 PolarHBondContact O-N 2.9Å
167	N	32	Very low	38	Very low	123 Å²	123	125.5 Å²	125.5	66%	0.658	64%	0.644	S	S	*	*	S	Bend	trans	-111.8	-6.7	-179.8	-90.8	-24.9	0	0	0	115	N169	N167-N169 PolarHBondContact O-N 2.99Å
168	E	31.2	Very low	40.3	Very low	135 Å²	135	117.3 Å²	117.3	63%	0.631	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-16	175.4	-70.2	-169.2	150.6	0	0	113.1
169	N	34.8	Very low	42.7	Very low	137 Å²	137	114.5 Å²	114.5	73%	0.733	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-9.3	179.2	-76.3	-33.9	0	0	0	115.2	N167	N167-N169 PolarHBondContact O-N 2.99Å
170	L	39.6	Very low	45.1	Very low	98 Å²	98	108 Å²	108	51%	0.513	56%	0.559	S	S	.	*	S	Bend	trans	-89.8	-14.4	169.2	-95.1	91.3	0	0	0	113.1	F172 Y174	L170-F172 VanDerWaalsContact C-N 3.25Å; L170-F172 PolarHBondContact O-N 2.87Å; L170-Y174 WeakPolarHBondContact O-CE2 3.34Å
171	I	37.6	Very low	47.8	Very low	85 Å²	85	102.1 Å²	102.1	44%	0.436	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-5	-171.8	-65.6	173.6	0	0	0	113	K179	I171-K179 WeakPolarHBondContact O-CE 3.46Å; I171-K179 PolarHBondContact O-NZ 3.26Å
172	F	38	Very low	50.6	Low	184 Å²	184	97.2 Å²	97.2	81%	0.807	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.5	177.7	-97.1	-85.9	0	0	0	115.3	L170	L170-F172 VanDerWaalsContact C-N 3.25Å; L170-F172 PolarHBondContact O-N 2.87Å
173	Q	44.6	Very low	53.2	Low	174 Å²	174	99 Å²	99	81%	0.813	49%	0.49	S	S	*	.	S	Bend	trans	-96.8	-1	-179.2	-94.1	-175.7	-13.4	0	0	115.3
174	Y	55.7	Low	55.8	Low	62 Å²	62	90.6 Å²	90.6	24%	0.243	45%	0.451	C	S	.	.	S	Bend	trans	-97.1	143.5	-172.9	-57.4	-65.9	0	0	0	112.9	L170 M224 I226	L170-Y174 WeakPolarHBondContact O-CE2 3.34Å; Y174-M224 HydrophobicContact CE1-SD 4.3Å; Y174-I226 HydrophobicContact CE1-CD1 3.75Å
175	S	66.2	Low	58.5	Low	50 Å²	50	85.3 Å²	85.3	35%	0.35	42%	0.424	S	S	.	.			trans	-56.6	148.1	167	84.1	0	0	0	0	109.5	Y177 A178 K179 E217	S175-Y177 PolarHBondContact O-N 3.32Å; S175-Y177 VanDerWaalsContact OG-CB 3.31Å; S175-Y177 WeakPolarHBondContact OG-CB 3.35Å; S175-Y177 PolarHBondContact OG-N 2.97Å; S175-A178 PolarHBondContact O-N 3Å; S175-A178 VanDerWaalsContact O-N 3.15Å; S175-A178 PolarHBondContact OG-N 3.4Å; S175-K179 PolarHBondContact O-N 2.9Å; S175-E217 PolarHBondContact OG-OE1 2.85Å
176	V	69.1	Low	61.1	Low	110 Å²	110	87 Å²	87	67%	0.667	43%	0.427	S	S	*	.	H	α-helix	trans	-52.4	-28	172.8	176.7	0	0	0	0	111	K180	V176-K180 PolarHBondContact O-N 2.96Å
177	Y	73.2	Confident	63.4	Low	52 Å²	52	84.2 Å²	84.2	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-72	-47.2	179.8	-128.8	-101.6	0	0	0	113.8	S175 K179 K180 V181 I209 L213	S175-Y177 PolarHBondContact O-N 3.32Å; S175-Y177 VanDerWaalsContact OG-CB 3.31Å; S175-Y177 WeakPolarHBondContact OG-CB 3.35Å; S175-Y177 PolarHBondContact OG-N 2.97Å; Y177-K179 PolarHBondContact O-N 3.2Å; Y177-K180 PolarHBondContact O-N 3.31Å; Y177-K180 VanDerWaalsContact O-N 3.13Å; Y177-V181 WeakPolarHBondContact O-CG2 3.44Å; Y177-V181 PolarHBondContact O-N 3.33Å; Y177-I209 HydrophobicContact CE1-CD1 4.25Å; Y177-I209 HydrophobicContact CE1-CG2 4.24Å; Y177-I209 HydrophobicContact CE2-CD1 4.17Å; Y177-I209 WeakPolarHBondContact OH-CB 3.37Å; Y177-I209 WeakPolarHBondContact OH-CD1 3.49Å; Y177-I209 WeakPolarHBondContact OH-CG1 3.49Å; Y177-I209 WeakPolarHBondContact OH-CG2 3.46Å; Y177-L213 HydrophobicContact CE1-CD2 4.4Å
178	A	75.2	Confident	65.7	Low	2 Å²	2	79.8 Å²	79.8	2%	0.017	40%	0.397	C	S	.	.	H	α-helix	trans	-58.6	-36.3	176.7	0	0	0	0	0	111.6	S175 V181 L182 E217 L221	S175-A178 PolarHBondContact O-N 3Å; S175-A178 VanDerWaalsContact O-N 3.15Å; S175-A178 PolarHBondContact OG-N 3.4Å; A178-V181 PolarHBondContact O-N 3.3Å; A178-L182 WeakPolarHBondContact O-CG 3.47Å; A178-L182 PolarHBondContact O-N 3.17Å; A178-L182 VanDerWaalsContact O-N 3.08Å; A178-E217 HydrophobicContact CB-CG 4.42Å; A178-L221 HydrophobicContact CB-CD2 4.22Å
179	K	76	Confident	67.7	Low	86 Å²	86	83.5 Å²	83.5	37%	0.374	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-47.3	174.8	-66.5	-175.5	179.8	-175.8	0	112	I171 S175 Y177 L182 E183	I171-K179 WeakPolarHBondContact O-CE 3.46Å; I171-K179 PolarHBondContact O-NZ 3.26Å; S175-K179 PolarHBondContact O-N 2.9Å; Y177-K179 PolarHBondContact O-N 3.2Å; K179-L182 PolarHBondContact O-N 2.83Å; K179-E183 PolarHBondContact O-N 2.91Å
180	K	80	Confident	69.5	Low	61 Å²	61	80.1 Å²	80.1	27%	0.265	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-43.7	176.4	-73.6	174.5	170	178.8	0	112.2	V176 Y177 L182 E183 V184 F203 E207	V176-K180 PolarHBondContact O-N 2.96Å; Y177-K180 PolarHBondContact O-N 3.31Å; Y177-K180 VanDerWaalsContact O-N 3.13Å; K180-L182 VanDerWaalsContact C-N 3.34Å; K180-L182 PolarHBondContact O-N 2.73Å; K180-E183 PolarHBondContact O-N 2.97Å; K180-V184 VanDerWaalsContact O-CG2 3.29Å; K180-V184 WeakPolarHBondContact O-CG2 3.45Å; K180-V184 PolarHBondContact O-N 3.44Å; K180-V184 VanDerWaalsContact O-N 3.08Å; K180-F203 HydrophobicContact CB-CE1 4.23Å; K180-F203 HydrophobicContact CB-CZ 4.24Å; K180-E207 IonicContact NZ-OE1 2.77Å; K180-E207 PolarHBondContact NZ-OE1 3.4Å; K180-E207 IonicContact NZ-OE2 2.61Å; K180-E207 PolarHBondContact NZ-OE2 2.99Å
181	V	83.8	Confident	70.9	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-58.5	-46.3	176.7	170.6	0	0	0	0	111	Y177 A178 V184 I185 L199 F203 L214 I218 L221	Y177-V181 WeakPolarHBondContact O-CG2 3.44Å; Y177-V181 PolarHBondContact O-N 3.33Å; A178-V181 PolarHBondContact O-N 3.3Å; V181-V184 PolarHBondContact O-N 3.04Å; V181-I185 HydrophobicContact CG1-CD1 3.86Å; V181-I185 VanDerWaalsContact O-CG1 3.31Å; V181-I185 WeakPolarHBondContact O-CG1 3.45Å; V181-I185 PolarHBondContact O-N 2.92Å; V181-I185 VanDerWaalsContact O-N 3.08Å; V181-L199 HydrophobicContact CG1-CD2 4.22Å; V181-F203 HydrophobicContact CG2-CE2 3.94Å; V181-F203 HydrophobicContact CG2-CZ 3.77Å; V181-L214 HydrophobicContact CG2-CD1 3.93Å; V181-I218 HydrophobicContact CG1-CG1 4.37Å; V181-L221 HydrophobicContact CB-CD1 4.31Å; V181-L221 HydrophobicContact CG1-CD1 3.87Å
182	L	84.1	Confident	72.5	Confident	27 Å²	27	78.6 Å²	78.6	14%	0.141	39%	0.392	C	S	.	.	H	α-helix	trans	-65.5	-38	178.7	-71	168.8	0	0	0	112.7	A178 K179 K180 I185 K186 L221 I226 L227 I239	A178-L182 WeakPolarHBondContact O-CG 3.47Å; A178-L182 PolarHBondContact O-N 3.17Å; A178-L182 VanDerWaalsContact O-N 3.08Å; K179-L182 PolarHBondContact O-N 2.83Å; K180-L182 VanDerWaalsContact C-N 3.34Å; K180-L182 PolarHBondContact O-N 2.73Å; L182-I185 PolarHBondContact O-N 3.27Å; L182-K186 WeakPolarHBondContact O-CB 3.31Å; L182-K186 VanDerWaalsContact O-CG 3.31Å; L182-K186 WeakPolarHBondContact O-CG 3.41Å; L182-K186 PolarHBondContact O-N 2.97Å; L182-L221 HydrophobicContact CD1-CD2 4.41Å; L182-L221 HydrophobicContact CD2-CD1 4.48Å; L182-L221 HydrophobicContact CG-CD1 4.36Å; L182-I226 HydrophobicContact CD1-CG2 4.26Å; L182-I226 HydrophobicContact CD2-CG2 3.74Å; L182-L227 HydrophobicContact CD2-CD2 4.01Å; L182-L227 HydrophobicContact CD2-CG 4.35Å; L182-I239 HydrophobicContact CD2-CD1 4.21Å; L182-I239 HydrophobicContact CD2-CG1 4.17Å
183	E	81.8	Confident	74.5	Confident	130 Å²	130	70.3 Å²	70.3	61%	0.607	36%	0.359	S	S	*	.	H	α-helix	trans	-61.3	-44	174.4	-78	-173	157	0	0	112.3	K179 K180 I185 K186 S187	K179-E183 PolarHBondContact O-N 2.91Å; K180-E183 PolarHBondContact O-N 2.97Å; E183-I185 PolarHBondContact O-N 3.4Å; E183-K186 PolarHBondContact O-N 3.05Å; E183-S187 WeakPolarHBondContact O-CB 3.32Å; E183-S187 PolarHBondContact O-N 3.09Å
184	V	83.2	Confident	76.3	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.036	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-43.5	178.3	178.6	0	0	0	0	110.7	K180 V181 K186 S187 S188 L199 Y202 F203	K180-V184 VanDerWaalsContact O-CG2 3.29Å; K180-V184 WeakPolarHBondContact O-CG2 3.45Å; K180-V184 PolarHBondContact O-N 3.44Å; K180-V184 VanDerWaalsContact O-N 3.08Å; V181-V184 PolarHBondContact O-N 3.04Å; V184-K186 VanDerWaalsContact C-N 3.35Å; V184-K186 PolarHBondContact O-N 3.24Å; V184-S187 PolarHBondContact O-N 2.87Å; V184-S187 VanDerWaalsContact O-N 3.14Å; V184-S187 PolarHBondContact O-OG 2.78Å; V184-S188 PolarHBondContact O-N 2.95Å; V184-L199 HydrophobicContact CB-CD1 4.25Å; V184-L199 HydrophobicContact CG1-CD1 3.86Å; V184-L199 HydrophobicContact CG1-CG 4.47Å; V184-Y202 HydrophobicContact CB-CD1 4.38Å; V184-Y202 HydrophobicContact CB-CG 4.44Å; V184-Y202 HydrophobicContact CG1-CD1 4.23Å; V184-Y202 HydrophobicContact CG1-CD2 4.25Å; V184-Y202 HydrophobicContact CG1-CG 3.87Å; V184-Y202 HydrophobicContact CG2-CD1 3.22Å; V184-Y202 HydrophobicContact CG2-CD2 3.99Å; V184-Y202 HydrophobicContact CG2-CE1 3.21Å; V184-Y202 HydrophobicContact CG2-CE2 3.98Å; V184-Y202 HydrophobicContact CG2-CG 3.61Å; V184-F203 HydrophobicContact CG2-CZ 4.43Å
185	I	85.3	Confident	77.7	Confident	10 Å²	10	59.6 Å²	59.6	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-42	177.7	-64.5	169.9	0	0	0	110.8	V181 L182 E183 S187 S188 C194 L199 L227 L237 I239	V181-I185 HydrophobicContact CG1-CD1 3.86Å; V181-I185 VanDerWaalsContact O-CG1 3.31Å; V181-I185 WeakPolarHBondContact O-CG1 3.45Å; V181-I185 PolarHBondContact O-N 2.92Å; V181-I185 VanDerWaalsContact O-N 3.08Å; L182-I185 PolarHBondContact O-N 3.27Å; E183-I185 PolarHBondContact O-N 3.4Å; I185-S187 VanDerWaalsContact C-N 3.27Å; I185-S187 PolarHBondContact O-N 3.23Å; I185-S188 WeakPolarHBondContact O-CB 3.22Å; I185-S188 PolarHBondContact O-N 3.34Å; I185-C194 HydrophobicContact CB-CB 4.29Å; I185-C194 HydrophobicContact CG1-CB 4.04Å; I185-C194 HydrophobicContact CG2-CB 4.21Å; I185-L199 HydrophobicContact CD1-CD1 4.19Å; I185-L199 HydrophobicContact CG1-CD1 3.55Å; I185-L227 HydrophobicContact CD1-CD1 3.61Å; I185-L227 HydrophobicContact CD1-CD2 3.57Å; I185-L227 HydrophobicContact CD1-CG 4.27Å; I185-L227 HydrophobicContact CG2-CD2 4.4Å; I185-L237 HydrophobicContact CD1-CB 4.27Å; I185-L237 HydrophobicContact CD1-CD1 4.47Å; I185-I239 HydrophobicContact CG2-CD1 4.17Å; I185-I239 HydrophobicContact CG2-CG1 3.92Å
186	K	82.1	Confident	78.3	Confident	159 Å²	159	59.3 Å²	59.3	69%	0.691	31%	0.306	S	S	*	.	H	α-helix	trans	-63	-30.5	174.5	-73.6	178.7	-177.8	-177.8	0	113.1	L182 E183 V184 S188 I239	L182-K186 WeakPolarHBondContact O-CB 3.31Å; L182-K186 VanDerWaalsContact O-CG 3.31Å; L182-K186 WeakPolarHBondContact O-CG 3.41Å; L182-K186 PolarHBondContact O-N 2.97Å; E183-K186 PolarHBondContact O-N 3.05Å; V184-K186 VanDerWaalsContact C-N 3.35Å; V184-K186 PolarHBondContact O-N 3.24Å; K186-S188 VanDerWaalsContact C-N 3.32Å; K186-I239 HydrophobicContact CD-CD1 4.16Å; K186-I239 HydrophobicContact CG-CD1 3.36Å
187	S	78.5	Confident	78.6	Confident	77 Å²	77	58.7 Å²	58.7	54%	0.538	31%	0.306	S	S	.	.	H	α-helix	trans	-80.6	-8.7	-179.8	77.4	0	0	0	0	114.5	E183 V184 I185 K189	E183-S187 WeakPolarHBondContact O-CB 3.32Å; E183-S187 PolarHBondContact O-N 3.09Å; V184-S187 PolarHBondContact O-N 2.87Å; V184-S187 VanDerWaalsContact O-N 3.14Å; V184-S187 PolarHBondContact O-OG 2.78Å; I185-S187 VanDerWaalsContact C-N 3.27Å; I185-S187 PolarHBondContact O-N 3.23Å; S187-K189 PolarHBondContact O-N 2.88Å
188	S	79.5	Confident	78.8	Confident	30 Å²	30	59.8 Å²	59.8	21%	0.21	31%	0.313	C	S	.	.			trans	-65.5	127.9	-179.7	-179.2	0	0	0	0	111.5	V184 I185 K186 H190	V184-S188 PolarHBondContact O-N 2.95Å; I185-S188 WeakPolarHBondContact O-CB 3.22Å; I185-S188 PolarHBondContact O-N 3.34Å; K186-S188 VanDerWaalsContact C-N 3.32Å; S188-H190 PolarHBondContact O-N 3.44Å; S188-H190 PolarHBondContact OG-N 2.74Å
189	K	73.3	Confident	79.2	Confident	213 Å²	213	59.7 Å²	59.7	93%	0.926	31%	0.312	S	S	*	.			trans	-81	-2.7	176.8	-63.9	-175.2	179.8	-179.6	0	113.3	S187	S187-K189 PolarHBondContact O-N 2.88Å
190	H	72.4	Confident	79.3	Confident	67 Å²	67	56.6 Å²	56.6	31%	0.31	30%	0.302	S	S	.	.			trans	-85.5	128.7	-175.1	-170.7	-78.1	0	0	0	110.8	S188 S192 G193 R236	S188-H190 PolarHBondContact O-N 3.44Å; S188-H190 PolarHBondContact OG-N 2.74Å; H190-S192 PolarHBondContact ND1-N 2.78Å; H190-S192 VanDerWaalsContact ND1-N 3.13Å; H190-S192 PolarHBondContact O-N 2.86Å; H190-G193 WeakPolarHBondContact CB-O 3.36Å; H190-G193 PolarHBondContact O-N 3.09Å; H190-R236 PolarHBondContact CD2-NH2 3.12Å; H190-R236 VanDerWaalsContact CD2-NH2 3.33Å; H190-R236 PolarHBondContact CE1-NE 2.93Å; H190-R236 VanDerWaalsContact CG-NH1 3.33Å; H190-R236 WeakPolarHBondContact ND1-CD 3.5Å; H190-R236 PolarHBondContact ND1-NE 2.91Å; H190-R236 PolarHBondContact NE2-NE 3.15Å
191	P	69.7	Low	79.1	Confident	119 Å²	119	55.9 Å²	55.9	77%	0.773	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.4	-172.8	23	-33.5	0	0	0	114.1
192	S	70.2	Confident	78.8	Confident	31 Å²	31	60.2 Å²	60.2	22%	0.217	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	13.9	176.8	-40.6	0	0	0	0	114.5	H190 N232 R236	H190-S192 PolarHBondContact ND1-N 2.78Å; H190-S192 VanDerWaalsContact ND1-N 3.13Å; H190-S192 PolarHBondContact O-N 2.86Å; S192-N232 VanDerWaalsContact CB-ND2 3.31Å; S192-N232 WeakPolarHBondContact CB-ND2 3.44Å; S192-N232 PolarHBondContact OG-ND2 2.91Å; S192-N232 VanDerWaalsContact OG-ND2 3.15Å; S192-R236 VanDerWaalsContact O-CB 3.27Å; S192-R236 WeakPolarHBondContact O-CB 3.47Å
193	G	81.5	Confident	78.6	Confident	10 Å²	10	59.1 Å²	59.1	10%	0.103	32%	0.319	C	S	.	.			trans	92.3	-172.2	179.1	0	0	0	0	0	114.9	H190 R236 L237	H190-G193 WeakPolarHBondContact CB-O 3.36Å; H190-G193 PolarHBondContact O-N 3.09Å; G193-R236 PolarHBondContact O-NH1 3.34Å; G193-L237 CarbonylContact C-O 3.52Å; G193-L237 WeakPolarHBondContact CA-O 3.35Å
194	C	82.2	Confident	78	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.02	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.7	-171.8	-166.9	0	0	0	0	111.8	I185 R236 L237	I185-C194 HydrophobicContact CB-CB 4.29Å; I185-C194 HydrophobicContact CG1-CB 4.04Å; I185-C194 HydrophobicContact CG2-CB 4.21Å; C194-R236 CarbonylContact O-C 3.59Å; C194-R236 WeakPolarHBondContact O-CA 3.43Å; C194-L237 PolarHBondContact N-O 3.37Å; C194-L237 PolarHBondContact O-N 2.94Å
195	S	83.6	Confident	77.1	Confident	9 Å²	9	67.3 Å²	67.3	6%	0.063	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	156	174.6	64.2	0	0	0	0	111.7	C197 E198 L199	S195-C197 PolarHBondContact O-N 2.95Å; S195-E198 WeakPolarHBondContact CB-OE2 3.43Å; S195-E198 PolarHBondContact N-OE2 3.4Å; S195-E198 PolarHBondContact O-N 2.96Å; S195-E198 VanDerWaalsContact O-N 3.07Å; S195-E198 VanDerWaalsContact OG-CD 3.28Å; S195-E198 VanDerWaalsContact OG-CG 3.29Å; S195-E198 WeakPolarHBondContact OG-CG 3.24Å; S195-E198 PolarHBondContact OG-N 2.87Å; S195-E198 PolarHBondContact OG-OE2 3.16Å; S195-L199 PolarHBondContact O-N 3.06Å
196	M	80.6	Confident	76.1	Confident	44 Å²	44	73 Å²	73	22%	0.217	38%	0.379	C	S	.	.	H	α-helix	trans	-57.6	-31.6	172.4	-78.7	-57	-64.3	0	0	112.8	A200 I218 L237	M196-A200 WeakPolarHBondContact O-CB 3.27Å; M196-A200 PolarHBondContact O-N 3.25Å; M196-I218 HydrophobicContact CE-CD1 3.81Å; M196-I218 HydrophobicContact SD-CD1 3.51Å; M196-I218 VanDerWaalsContact SD-CD1 3.51Å; M196-L237 HydrophobicContact SD-CD1 3.88Å
197	C	75.4	Confident	75	Confident	97 Å²	97	69.1 Å²	69.1	66%	0.655	36%	0.363	S	S	*	.	H	α-helix	trans	-68.4	-39.3	175.5	-60.6	0	0	0	0	112.7	S195 A201	S195-C197 PolarHBondContact O-N 2.95Å; C197-A201 WeakPolarHBondContact O-CB 3.23Å; C197-A201 PolarHBondContact O-N 3.1Å
198	E	76.9	Confident	73.9	Confident	75 Å²	75	75.3 Å²	75.3	35%	0.35	38%	0.384	S	S	.	.	H	α-helix	trans	-66.2	-42.3	175.3	-75.6	158.9	157.1	0	0	110.8	S195 A201 Y202 R236	S195-E198 WeakPolarHBondContact CB-OE2 3.43Å; S195-E198 PolarHBondContact N-OE2 3.4Å; S195-E198 PolarHBondContact O-N 2.96Å; S195-E198 VanDerWaalsContact O-N 3.07Å; S195-E198 VanDerWaalsContact OG-CD 3.28Å; S195-E198 VanDerWaalsContact OG-CG 3.29Å; S195-E198 WeakPolarHBondContact OG-CG 3.24Å; S195-E198 PolarHBondContact OG-N 2.87Å; S195-E198 PolarHBondContact OG-OE2 3.16Å; E198-A201 PolarHBondContact O-N 2.59Å; E198-Y202 PolarHBondContact O-N 2.99Å; E198-R236 IonicContact OE1-NH1 3.26Å; E198-R236 PolarHBondContact OE1-NH1 2.91Å; E198-R236 IonicContact OE1-NH2 2.72Å; E198-R236 IonicContact OE2-CZ 3.05Å; E198-R236 IonicContact OE2-NH1 2.95Å; E198-R236 PolarHBondContact OE2-NH1 3.07Å
199	L	82.3	Confident	73	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-49	177	-140.3	91	0	0	0	111.6	V181 V184 I185 S195 A201 Y202 F203 L214 I218	V181-L199 HydrophobicContact CG1-CD2 4.22Å; V184-L199 HydrophobicContact CB-CD1 4.25Å; V184-L199 HydrophobicContact CG1-CD1 3.86Å; V184-L199 HydrophobicContact CG1-CG 4.47Å; I185-L199 HydrophobicContact CD1-CD1 4.19Å; I185-L199 HydrophobicContact CG1-CD1 3.55Å; S195-L199 PolarHBondContact O-N 3.06Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.84Å; L199-Y202 PolarHBondContact O-N 3.3Å; L199-F203 HydrophobicContact CD2-CE2 4.28Å; L199-F203 HydrophobicContact CG-CD2 4.34Å; L199-F203 HydrophobicContact CG-CE2 4.09Å; L199-F203 VanDerWaalsContact O-CD2 3.25Å; L199-F203 WeakPolarHBondContact O-CD2 3.07Å; L199-F203 PolarHBondContact O-N 2.72Å; L199-L214 HydrophobicContact CD2-CD1 3.76Å; L199-L214 HydrophobicContact CD2-CD2 4.1Å; L199-L214 HydrophobicContact CD2-CG 4.1Å; L199-I218 HydrophobicContact CD2-CD1 3.53Å; L199-I218 HydrophobicContact CD2-CG1 4.22Å
200	A	78.1	Confident	72.7	Confident	20 Å²	20	69.9 Å²	69.9	17%	0.165	36%	0.362	C	S	.	.	H	α-helix	trans	-64.4	-35.7	178	0	0	0	0	0	112.1	M196 R204	M196-A200 WeakPolarHBondContact O-CB 3.27Å; M196-A200 PolarHBondContact O-N 3.25Å; A200-R204 WeakPolarHBondContact O-CB 3.42Å; A200-R204 PolarHBondContact O-N 2.88Å
201	A	76.6	Confident	72.6	Confident	46 Å²	46	70.6 Å²	70.6	38%	0.38	37%	0.368	S	S	.	.	H	α-helix	trans	-67.6	-41.8	174.9	0	0	0	0	0	112.1	C197 E198 L199 N205	C197-A201 WeakPolarHBondContact O-CB 3.23Å; C197-A201 PolarHBondContact O-N 3.1Å; E198-A201 PolarHBondContact O-N 2.59Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.84Å; A201-N205 VanDerWaalsContact O-CB 3.32Å; A201-N205 WeakPolarHBondContact O-CB 3.36Å; A201-N205 PolarHBondContact O-N 3.36Å; A201-N205 PolarHBondContact O-ND2 3.13Å
202	Y	78.6	Confident	72.7	Confident	91 Å²	91	72 Å²	72	36%	0.357	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-52	176	-178.8	-87.9	0	0	0	111	V184 E198 L199 N205 H206	V184-Y202 HydrophobicContact CB-CD1 4.38Å; V184-Y202 HydrophobicContact CB-CG 4.44Å; V184-Y202 HydrophobicContact CG1-CD1 4.23Å; V184-Y202 HydrophobicContact CG1-CD2 4.25Å; V184-Y202 HydrophobicContact CG1-CG 3.87Å; V184-Y202 HydrophobicContact CG2-CD1 3.22Å; V184-Y202 HydrophobicContact CG2-CD2 3.99Å; V184-Y202 HydrophobicContact CG2-CE1 3.21Å; V184-Y202 HydrophobicContact CG2-CE2 3.98Å; V184-Y202 HydrophobicContact CG2-CG 3.61Å; E198-Y202 PolarHBondContact O-N 2.99Å; L199-Y202 PolarHBondContact O-N 3.3Å; Y202-N205 PolarHBondContact O-N 3.04Å; Y202-H206 AromaticContact CD2-CD2 3.78Å; Y202-H206 AromaticContact CE2-CD2 3.67Å; Y202-H206 AromaticContact CZ-CD2 3.93Å; Y202-H206 WeakPolarHBondContact O-CB 3.39Å; Y202-H206 PolarHBondContact O-CD2 3.04Å; Y202-H206 VanDerWaalsContact O-CD2 3.31Å; Y202-H206 PolarHBondContact O-N 2.9Å; Y202-H206 VanDerWaalsContact O-N 3.08Å
203	F	78.7	Confident	72.8	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.018	38%	0.375	C	S	.	.	H	α-helix	trans	-67	-45.2	-179.5	-73.6	-66.8	0	0	0	111	K180 V181 V184 L199 N205 H206 E207 I209 L214	K180-F203 HydrophobicContact CB-CE1 4.23Å; K180-F203 HydrophobicContact CB-CZ 4.24Å; V181-F203 HydrophobicContact CG2-CE2 3.94Å; V181-F203 HydrophobicContact CG2-CZ 3.77Å; V184-F203 HydrophobicContact CG2-CZ 4.43Å; L199-F203 HydrophobicContact CD2-CE2 4.28Å; L199-F203 HydrophobicContact CG-CD2 4.34Å; L199-F203 HydrophobicContact CG-CE2 4.09Å; L199-F203 VanDerWaalsContact O-CD2 3.25Å; L199-F203 WeakPolarHBondContact O-CD2 3.07Å; L199-F203 PolarHBondContact O-N 2.72Å; F203-N205 PolarHBondContact O-N 3.46Å; F203-N205 VanDerWaalsContact O-N 3.07Å; F203-H206 PolarHBondContact O-N 2.62Å; F203-E207 CarbonylContact C-O 3.6Å; F203-E207 CarbonylContact O-C 3.57Å; F203-E207 VanDerWaalsContact O-C 3.3Å; F203-E207 PolarHBondContact O-N 3.16Å; F203-I209 HydrophobicContact CB-CB 4.37Å; F203-I209 HydrophobicContact CB-CD1 3.97Å; F203-I209 HydrophobicContact CD1-CD1 3.29Å; F203-I209 HydrophobicContact CE1-CD1 4.02Å; F203-I209 HydrophobicContact CG-CD1 3.9Å; F203-L214 HydrophobicContact CD2-CD1 3.69Å; F203-L214 HydrophobicContact CD2-CD2 4Å; F203-L214 HydrophobicContact CE2-CD1 3.61Å; F203-L214 HydrophobicContact CZ-CD1 4.39Å
204	R	69.3	Low	72.7	Confident	181 Å²	181	74.2 Å²	74.2	68%	0.683	37%	0.371	S	S	*	.	H	α-helix	trans	-56	-32	176.3	-171.9	-179.1	-75	-165.4	-5	113.8	A200	A200-R204 WeakPolarHBondContact O-CB 3.42Å; A200-R204 PolarHBondContact O-N 2.88Å
205	N	65.2	Low	72.7	Confident	128 Å²	128	76.8 Å²	76.8	68%	0.684	38%	0.382	S	S	*	.	H	α-helix	trans	-86.8	-21.9	180	-69	-16.1	0	0	0	114.1	A201 Y202 F203	A201-N205 VanDerWaalsContact O-CB 3.32Å; A201-N205 WeakPolarHBondContact O-CB 3.36Å; A201-N205 PolarHBondContact O-N 3.36Å; A201-N205 PolarHBondContact O-ND2 3.13Å; Y202-N205 PolarHBondContact O-N 3.04Å; F203-N205 PolarHBondContact O-N 3.46Å; F203-N205 VanDerWaalsContact O-N 3.07Å
206	H	62.6	Low	72.4	Confident	130 Å²	130	78.5 Å²	78.5	60%	0.602	39%	0.394	S	S	*	.	H	α-helix	trans	-113.8	-31.7	-173.7	-73.5	-67.6	0	0	0	114.3	Y202 F203	Y202-H206 AromaticContact CD2-CD2 3.78Å; Y202-H206 AromaticContact CE2-CD2 3.67Å; Y202-H206 AromaticContact CZ-CD2 3.93Å; Y202-H206 WeakPolarHBondContact O-CB 3.39Å; Y202-H206 PolarHBondContact O-CD2 3.04Å; Y202-H206 VanDerWaalsContact O-CD2 3.31Å; Y202-H206 PolarHBondContact O-N 2.9Å; Y202-H206 VanDerWaalsContact O-N 3.08Å; F203-H206 PolarHBondContact O-N 2.62Å
207	E	59.2	Low	72.5	Confident	76 Å²	76	77.2 Å²	77.2	36%	0.355	39%	0.388	S	S	.	.	S	Bend	trans	-149.8	123.1	-179.9	-69.3	-173.5	154	0	0	109.6	K180 F203 I209	K180-E207 IonicContact NZ-OE1 2.77Å; K180-E207 PolarHBondContact NZ-OE1 3.4Å; K180-E207 IonicContact NZ-OE2 2.61Å; K180-E207 PolarHBondContact NZ-OE2 2.99Å; F203-E207 CarbonylContact C-O 3.6Å; F203-E207 CarbonylContact O-C 3.57Å; F203-E207 VanDerWaalsContact O-C 3.3Å; F203-E207 PolarHBondContact O-N 3.16Å; E207-I209 HydrophobicContact CB-CD1 3.46Å; E207-I209 VanDerWaalsContact CB-CD1 3.46Å; E207-I209 HydrophobicContact CB-CG1 3.84Å; E207-I209 VanDerWaalsContact O-CG1 3.27Å; E207-I209 WeakPolarHBondContact O-CG1 3.35Å; E207-I209 PolarHBondContact O-N 3.13Å
208	Q	56.8	Low	72.9	Confident	207 Å²	207	72.6 Å²	72.6	97%	0.967	36%	0.357	S	S	*	.			trans	-61.2	101.2	174.8	-80.6	-178.6	-3.6	0	0	110.2
209	I	60.4	Low	73.2	Confident	34 Å²	34	72.2 Å²	72.2	17%	0.174	36%	0.357	C	S	.	.			trans	-126.7	133.2	-172.1	-68.6	168.3	0	0	0	109.5	Y177 F203 E207 L214	Y177-I209 HydrophobicContact CE1-CD1 4.25Å; Y177-I209 HydrophobicContact CE1-CG2 4.24Å; Y177-I209 HydrophobicContact CE2-CD1 4.17Å; Y177-I209 WeakPolarHBondContact OH-CB 3.37Å; Y177-I209 WeakPolarHBondContact OH-CD1 3.49Å; Y177-I209 WeakPolarHBondContact OH-CG1 3.49Å; Y177-I209 WeakPolarHBondContact OH-CG2 3.46Å; F203-I209 HydrophobicContact CB-CB 4.37Å; F203-I209 HydrophobicContact CB-CD1 3.97Å; F203-I209 HydrophobicContact CD1-CD1 3.29Å; F203-I209 HydrophobicContact CE1-CD1 4.02Å; F203-I209 HydrophobicContact CG-CD1 3.9Å; E207-I209 HydrophobicContact CB-CD1 3.46Å; E207-I209 VanDerWaalsContact CB-CD1 3.46Å; E207-I209 HydrophobicContact CB-CG1 3.84Å; E207-I209 VanDerWaalsContact O-CG1 3.27Å; E207-I209 WeakPolarHBondContact O-CG1 3.35Å; E207-I209 PolarHBondContact O-N 3.13Å; I209-L214 HydrophobicContact CG2-CB 4.47Å
210	D	67.6	Low	73.2	Confident	95 Å²	95	77.5 Å²	77.5	51%	0.508	38%	0.38	S	S	.	.			trans	-64.1	127	171.5	-172.7	-9.8	0	0	0	110.4	Q212 L213 L214	D210-Q212 PolarHBondContact O-N 2.9Å; D210-Q212 PolarHBondContact OD1-N 2.69Å; D210-L213 HydrophobicContact CB-CB 4.36Å; D210-L213 PolarHBondContact O-N 3.3Å; D210-L214 PolarHBondContact O-N 3.12Å
211	L	70	Confident	73.5	Confident	83 Å²	83	76.7 Å²	76.7	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-58.5	-30.7	176.7	-97.3	94.5	0	0	0	112	L214 Q215	L211-L214 PolarHBondContact O-N 2.87Å; L211-Q215 PolarHBondContact O-N 3.29Å
212	Q	70.3	Confident	73.9	Confident	147 Å²	147	76.6 Å²	76.6	69%	0.687	37%	0.365	S	S	*	.	H	α-helix	trans	-67.2	-39.8	178.9	-64.6	-169.2	-16.8	0	0	111.9	D210 Q215 S216	D210-Q212 PolarHBondContact O-N 2.9Å; D210-Q212 PolarHBondContact OD1-N 2.69Å; Q212-Q215 PolarHBondContact O-N 3.31Å; Q212-S216 PolarHBondContact O-N 3.35Å
213	L	73.5	Confident	74.1	Confident	86 Å²	86	78.7 Å²	78.7	45%	0.45	38%	0.383	S	S	.	.	H	α-helix	trans	-66.2	-41.9	176.7	-173.2	66.6	0	0	0	110.8	Y177 D210 S216 E217	Y177-L213 HydrophobicContact CE1-CD2 4.4Å; D210-L213 HydrophobicContact CB-CB 4.36Å; D210-L213 PolarHBondContact O-N 3.3Å; L213-S216 PolarHBondContact O-N 3.43Å; L213-S216 PolarHBondContact O-OG 2.95Å; L213-E217 PolarHBondContact O-N 2.84Å; L213-E217 VanDerWaalsContact O-N 3.13Å
214	L	80	Confident	74	Confident	3 Å²	3	84.1 Å²	84.1	2%	0.016	41%	0.41	C	S	.	.	H	α-helix	trans	-61.1	-46.5	177.1	-175.9	61.8	0	0	0	111.9	V181 L199 F203 I209 D210 L211 S216 E217 I218	V181-L214 HydrophobicContact CG2-CD1 3.93Å; L199-L214 HydrophobicContact CD2-CD1 3.76Å; L199-L214 HydrophobicContact CD2-CD2 4.1Å; L199-L214 HydrophobicContact CD2-CG 4.1Å; F203-L214 HydrophobicContact CD2-CD1 3.69Å; F203-L214 HydrophobicContact CD2-CD2 4Å; F203-L214 HydrophobicContact CE2-CD1 3.61Å; F203-L214 HydrophobicContact CZ-CD1 4.39Å; I209-L214 HydrophobicContact CG2-CB 4.47Å; D210-L214 PolarHBondContact O-N 3.12Å; L211-L214 PolarHBondContact O-N 2.87Å; L214-S216 PolarHBondContact O-N 3.47Å; L214-E217 PolarHBondContact O-N 2.98Å; L214-I218 HydrophobicContact CD1-CD1 4.41Å; L214-I218 HydrophobicContact CG-CD1 4.1Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.47Å; L214-I218 PolarHBondContact O-N 3.35Å; L214-I218 VanDerWaalsContact O-N 3.09Å
215	Q	80.2	Confident	74.5	Confident	56 Å²	56	83.7 Å²	83.7	26%	0.262	41%	0.413	S	S	.	.	H	α-helix	trans	-60.9	-44.6	176.9	-170.6	63.5	39.2	0	0	111.3	L211 Q212 E217 I218 D219	L211-Q215 PolarHBondContact O-N 3.29Å; Q212-Q215 PolarHBondContact O-N 3.31Å; Q215-E217 VanDerWaalsContact C-N 3.28Å; Q215-E217 PolarHBondContact O-N 3.11Å; Q215-I218 PolarHBondContact O-N 3.06Å; Q215-D219 PolarHBondContact NE2-OD1 3Å; Q215-D219 VanDerWaalsContact O-CG 3.23Å; Q215-D219 PolarHBondContact O-N 2.9Å
216	S	79.2	Confident	75.2	Confident	45 Å²	45	79.3 Å²	79.3	32%	0.315	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-35.2	179	81	0	0	0	0	113.4	Q212 L213 L214 K220	Q212-S216 PolarHBondContact O-N 3.35Å; L213-S216 PolarHBondContact O-N 3.43Å; L213-S216 PolarHBondContact O-OG 2.95Å; L214-S216 PolarHBondContact O-N 3.47Å; S216-K220 WeakPolarHBondContact O-CG 3.38Å; S216-K220 PolarHBondContact O-N 2.86Å
217	E	80.9	Confident	76.3	Confident	18 Å²	18	73.2 Å²	73.2	8%	0.084	36%	0.361	C	S	.	.	H	α-helix	trans	-77.6	-34.8	179.8	-158.6	70.4	179.3	0	0	111.4	S175 A178 L213 L214 Q215 K220 L221	S175-E217 PolarHBondContact OG-OE1 2.85Å; A178-E217 HydrophobicContact CB-CG 4.42Å; L213-E217 PolarHBondContact O-N 2.84Å; L213-E217 VanDerWaalsContact O-N 3.13Å; L214-E217 PolarHBondContact O-N 2.98Å; Q215-E217 VanDerWaalsContact C-N 3.28Å; Q215-E217 PolarHBondContact O-N 3.11Å; E217-K220 PolarHBondContact O-N 3.01Å; E217-K220 WeakPolarHBondContact OE2-CD 3.44Å; E217-K220 IonicContact OE2-NZ 3.82Å; E217-K220 PolarHBondContact OE2-NZ 3.42Å; E217-L221 WeakPolarHBondContact O-CG 3.46Å; E217-L221 PolarHBondContact O-N 3.14Å
218	I	85.2	Confident	77.5	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.3	-44.8	171.8	-67.8	166	0	0	0	110.3	V181 M196 L199 L214 Q215 K220 L221 I222 L237	V181-I218 HydrophobicContact CG1-CG1 4.37Å; M196-I218 HydrophobicContact CE-CD1 3.81Å; M196-I218 HydrophobicContact SD-CD1 3.51Å; M196-I218 VanDerWaalsContact SD-CD1 3.51Å; L199-I218 HydrophobicContact CD2-CD1 3.53Å; L199-I218 HydrophobicContact CD2-CG1 4.22Å; L214-I218 HydrophobicContact CD1-CD1 4.41Å; L214-I218 HydrophobicContact CG-CD1 4.1Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.47Å; L214-I218 PolarHBondContact O-N 3.35Å; L214-I218 VanDerWaalsContact O-N 3.09Å; Q215-I218 PolarHBondContact O-N 3.06Å; I218-K220 VanDerWaalsContact C-N 3.29Å; I218-K220 PolarHBondContact O-N 2.98Å; I218-L221 WeakPolarHBondContact O-CB 3.2Å; I218-L221 PolarHBondContact O-N 3.38Å; I218-L221 VanDerWaalsContact O-N 3.07Å; I218-I222 HydrophobicContact CG2-CD1 3.71Å; I218-I222 HydrophobicContact CG2-CG1 4.3Å; I218-I222 WeakPolarHBondContact O-CG1 3.18Å; I218-I222 PolarHBondContact O-N 3.03Å; I218-L237 HydrophobicContact CD1-CD1 4.08Å; I218-L237 HydrophobicContact CG1-CD1 4.5Å; I218-L237 HydrophobicContact CG2-CD1 4.06Å; I218-L237 HydrophobicContact CG2-CD2 3.89Å
219	D	82.8	Confident	78.8	Confident	66 Å²	66	65.5 Å²	65.5	35%	0.353	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-37.1	178.7	-65.5	-23	0	0	0	111.5	Q215 I222 N223	Q215-D219 PolarHBondContact NE2-OD1 3Å; Q215-D219 VanDerWaalsContact O-CG 3.23Å; Q215-D219 PolarHBondContact O-N 2.9Å; D219-I222 PolarHBondContact O-N 2.8Å; D219-N223 WeakPolarHBondContact O-CB 3.27Å; D219-N223 VanDerWaalsContact O-CG 3.26Å; D219-N223 PolarHBondContact O-N 2.75Å; D219-N223 PolarHBondContact O-ND2 3.08Å
220	K	82.8	Confident	79.6	Confident	111 Å²	111	65.6 Å²	65.6	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-45.7	170.5	-71.8	174.4	-156.7	160.3	0	112	S216 E217 I218 I222 N223 M224	S216-K220 WeakPolarHBondContact O-CG 3.38Å; S216-K220 PolarHBondContact O-N 2.86Å; E217-K220 PolarHBondContact O-N 3.01Å; E217-K220 WeakPolarHBondContact OE2-CD 3.44Å; E217-K220 IonicContact OE2-NZ 3.82Å; E217-K220 PolarHBondContact OE2-NZ 3.42Å; I218-K220 VanDerWaalsContact C-N 3.29Å; I218-K220 PolarHBondContact O-N 2.98Å; K220-I222 VanDerWaalsContact C-N 3.32Å; K220-I222 PolarHBondContact O-N 3.47Å; K220-N223 PolarHBondContact O-N 3.49Å; K220-M224 WeakPolarHBondContact O-CB 3.49Å; K220-M224 VanDerWaalsContact O-CG 3.31Å; K220-M224 WeakPolarHBondContact O-CG 3.35Å; K220-M224 PolarHBondContact O-N 3.23Å
221	L	84	Confident	79.1	Confident	3 Å²	3	67 Å²	67	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-33.8	179.2	-71.7	173.4	0	0	0	112.6	A178 V181 L182 E217 I218 K225 I226 L227	A178-L221 HydrophobicContact CB-CD2 4.22Å; V181-L221 HydrophobicContact CB-CD1 4.31Å; V181-L221 HydrophobicContact CG1-CD1 3.87Å; L182-L221 HydrophobicContact CD1-CD2 4.41Å; L182-L221 HydrophobicContact CD2-CD1 4.48Å; L182-L221 HydrophobicContact CG-CD1 4.36Å; E217-L221 WeakPolarHBondContact O-CG 3.46Å; E217-L221 PolarHBondContact O-N 3.14Å; I218-L221 WeakPolarHBondContact O-CB 3.2Å; I218-L221 PolarHBondContact O-N 3.38Å; I218-L221 VanDerWaalsContact O-N 3.07Å; L221-K225 PolarHBondContact O-N 3.02Å; L221-I226 HydrophobicContact CD2-CB 4.39Å; L221-I226 HydrophobicContact CD2-CD1 3.88Å; L221-I226 HydrophobicContact CD2-CG2 4.45Å; L221-I226 PolarHBondContact O-N 3.09Å; L221-L227 HydrophobicContact CB-CB 4.42Å; L221-L227 HydrophobicContact CB-CD1 3.68Å; L221-L227 HydrophobicContact CB-CG 3.97Å; L221-L227 HydrophobicContact CD1-CD1 3.72Å; L221-L227 HydrophobicContact CD1-CG 4.46Å; L221-L227 HydrophobicContact CG-CD1 4.35Å; L221-L227 PolarHBondContact O-N 3.34Å
222	I	85.1	Confident	78.5	Confident	44 Å²	44	66.4 Å²	66.4	23%	0.226	33%	0.33	C	S	.	.	H	α-helix	trans	-69.5	-46.4	173.3	-68	169.4	0	0	0	110.5	I218 D219 K220 M224 K225 L227 Y229 L237	I218-I222 HydrophobicContact CG2-CD1 3.71Å; I218-I222 HydrophobicContact CG2-CG1 4.3Å; I218-I222 WeakPolarHBondContact O-CG1 3.18Å; I218-I222 PolarHBondContact O-N 3.03Å; D219-I222 PolarHBondContact O-N 2.8Å; K220-I222 VanDerWaalsContact C-N 3.32Å; K220-I222 PolarHBondContact O-N 3.47Å; I222-M224 PolarHBondContact O-N 2.82Å; I222-K225 WeakPolarHBondContact O-CA 3.35Å; I222-K225 PolarHBondContact O-N 2.98Å; I222-L227 HydrophobicContact CG1-CB 3.94Å; I222-Y229 HydrophobicContact CD1-CD2 3.85Å; I222-Y229 HydrophobicContact CD1-CE2 3.26Å; I222-L237 HydrophobicContact CD1-CD2 4.19Å
223	N	82	Confident	77.5	Confident	136 Å²	136	65.4 Å²	65.4	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-60.7	-31.6	175.8	-76.9	-27.3	0	0	0	112.3	D219 K220 K225	D219-N223 WeakPolarHBondContact O-CB 3.27Å; D219-N223 VanDerWaalsContact O-CG 3.26Å; D219-N223 PolarHBondContact O-N 2.75Å; D219-N223 PolarHBondContact O-ND2 3.08Å; K220-N223 PolarHBondContact O-N 3.49Å; N223-K225 PolarHBondContact O-N 2.84Å
224	M	77.8	Confident	76.8	Confident	118 Å²	118	64.5 Å²	64.5	58%	0.581	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	2.1	172.7	-72	-178.2	144.9	0	0	114.2	Y174 K220 I222 I226	Y174-M224 HydrophobicContact CE1-SD 4.3Å; K220-M224 WeakPolarHBondContact O-CB 3.49Å; K220-M224 VanDerWaalsContact O-CG 3.31Å; K220-M224 WeakPolarHBondContact O-CG 3.35Å; K220-M224 PolarHBondContact O-N 3.23Å; I222-M224 PolarHBondContact O-N 2.82Å; M224-I226 HydrophobicContact CB-CD1 3.86Å; M224-I226 HydrophobicContact CB-CG1 4Å; M224-I226 PolarHBondContact O-N 3.14Å; M224-I226 HydrophobicContact SD-CD1 4.31Å
225	K	78.4	Confident	76.3	Confident	172 Å²	172	65.5 Å²	65.5	75%	0.748	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	19.5	-177.3	-56.4	-177	177.4	-179.1	0	115.2	L221 I222 N223 T240	L221-K225 PolarHBondContact O-N 3.02Å; I222-K225 WeakPolarHBondContact O-CA 3.35Å; I222-K225 PolarHBondContact O-N 2.98Å; N223-K225 PolarHBondContact O-N 2.84Å; K225-T240 WeakPolarHBondContact O-CB 3.42Å; K225-T240 PolarHBondContact O-OG1 3.24Å
226	I	79.6	Confident	76.4	Confident	35 Å²	35	64.2 Å²	64.2	18%	0.179	34%	0.338	C	S	.	.	S	Bend	trans	-82.7	-33.7	178.8	-58.7	170.9	0	0	0	110.5	Y174 L182 L221 M224 I239 T240	Y174-I226 HydrophobicContact CE1-CD1 3.75Å; L182-I226 HydrophobicContact CD1-CG2 4.26Å; L182-I226 HydrophobicContact CD2-CG2 3.74Å; L221-I226 HydrophobicContact CD2-CB 4.39Å; L221-I226 HydrophobicContact CD2-CD1 3.88Å; L221-I226 HydrophobicContact CD2-CG2 4.45Å; L221-I226 PolarHBondContact O-N 3.09Å; M224-I226 HydrophobicContact CB-CD1 3.86Å; M224-I226 HydrophobicContact CB-CG1 4Å; M224-I226 PolarHBondContact O-N 3.14Å; M224-I226 HydrophobicContact SD-CD1 4.31Å; I226-I239 WeakPolarHBondContact O-CA 3.23Å; I226-T240 PolarHBondContact O-N 3.25Å; I226-T240 PolarHBondContact O-OG1 3.13Å
227	L	86.3	Confident	76.7	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.016	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152	176.2	-66.4	178.4	0	0	0	111	L182 I185 L221 I222 K238 I239	L182-L227 HydrophobicContact CD2-CD2 4.01Å; L182-L227 HydrophobicContact CD2-CG 4.35Å; I185-L227 HydrophobicContact CD1-CD1 3.61Å; I185-L227 HydrophobicContact CD1-CD2 3.57Å; I185-L227 HydrophobicContact CD1-CG 4.27Å; I185-L227 HydrophobicContact CG2-CD2 4.4Å; L221-L227 HydrophobicContact CB-CB 4.42Å; L221-L227 HydrophobicContact CB-CD1 3.68Å; L221-L227 HydrophobicContact CB-CG 3.97Å; L221-L227 HydrophobicContact CD1-CD1 3.72Å; L221-L227 HydrophobicContact CD1-CG 4.46Å; L221-L227 HydrophobicContact CG-CD1 4.35Å; L221-L227 PolarHBondContact O-N 3.34Å; I222-L227 HydrophobicContact CG1-CB 3.94Å; L227-K238 WeakPolarHBondContact CA-O 3.38Å; L227-I239 HydrophobicContact CD2-CG1 3.76Å
228	H	85.3	Confident	76.9	Confident	70 Å²	70	65.1 Å²	65.1	32%	0.324	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.1	167.6	62.2	-83	0	0	0	111	K238 T240	H228-K238 PolarHBondContact N-O 3.43Å; H228-K238 PolarHBondContact ND1-O 3.45Å; H228-K238 PolarHBondContact O-N 3.42Å; H228-T240 PolarHBondContact ND1-OG1 2.98Å
229	Y	83	Confident	76.9	Confident	50 Å²	50	67 Å²	67	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.9	171.8	-76.4	-72.8	0	0	0	111	I222 P235 R236 L237 T281	I222-Y229 HydrophobicContact CD1-CD2 3.85Å; I222-Y229 HydrophobicContact CD1-CE2 3.26Å; Y229-P235 HydrophobicContact CD1-CB 4.3Å; Y229-R236 CarbonylContact C-O 3.55Å; Y229-R236 WeakPolarHBondContact CA-O 3.43Å; Y229-L237 HydrophobicContact CD1-CD2 3.9Å; Y229-L237 HydrophobicContact CD1-CG 4.33Å; Y229-L237 HydrophobicContact CE1-CD2 3.56Å; Y229-L237 HydrophobicContact CE1-CG 3.95Å; Y229-L237 HydrophobicContact CE2-CD2 4.36Å; Y229-L237 HydrophobicContact CG-CD2 4.41Å; Y229-T281 HydrophobicContact CD1-CG2 4.46Å; Y229-T281 HydrophobicContact CD2-CG2 4.42Å; Y229-T281 HydrophobicContact CE1-CG2 3.8Å; Y229-T281 HydrophobicContact CE2-CG2 3.74Å; Y229-T281 VanDerWaalsContact CZ-CG2 3.42Å
230	V	77.3	Confident	76.7	Confident	37 Å²	37	66.7 Å²	66.7	22%	0.224	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.5	168.5	-175.8	0	0	0	0	107.5	N232 R236 K238	V230-N232 PolarHBondContact O-N 3.04Å; V230-R236 PolarHBondContact N-O 2.97Å; V230-R236 PolarHBondContact O-N 3.05Å; V230-K238 HydrophobicContact CG2-CB 3.86Å
231	N	58.3	Low	75.6	Confident	125 Å²	125	66.5 Å²	66.5	67%	0.668	35%	0.35	S	S	*	.			trans	-72.4	73.6	-176.9	-73.8	-10.3	0	0	0	112.2	S280	N231-S280 PolarHBondContact OD1-OG 3.25Å; N231-S280 VanDerWaalsContact OD1-OG 3.14Å
232	N	56.9	Low	73.5	Confident	70 Å²	70	73.4 Å²	73.4	37%	0.374	39%	0.392	S	S	.	.			trans	-108.5	158.5	162.1	-72.9	-20.3	0	0	0	108.8	S192 V230 P234 P235	S192-N232 VanDerWaalsContact CB-ND2 3.31Å; S192-N232 WeakPolarHBondContact CB-ND2 3.44Å; S192-N232 PolarHBondContact OG-ND2 2.91Å; S192-N232 VanDerWaalsContact OG-ND2 3.15Å; V230-N232 PolarHBondContact O-N 3.04Å; N232-P234 CarbonylContact C-O 3.53Å; N232-P234 CarbonylContact O-C 3.59Å; N232-P235 VanDerWaalsContact O-CA 3.25Å; N232-P235 WeakPolarHBondContact O-CA 3.41Å
233	S	49.9	Very low	70.9	Confident	126 Å²	126	79.4 Å²	79.4	88%	0.881	42%	0.419	S	S	*	.	S	Bend	trans	-102.1	105.4	170	-68.1	0	0	0	0	108.6
234	P	57.4	Low	68.3	Low	66 Å²	66	78.1 Å²	78.1	43%	0.429	42%	0.421	S	S	.	.	S	Bend	cis	-82.6	157.1	5.5	33.5	-35.1	0	0	0	114.5	N232	N232-P234 CarbonylContact C-O 3.53Å; N232-P234 CarbonylContact O-C 3.59Å
235	P	70.2	Confident	66	Low	24 Å²	24	80.4 Å²	80.4	16%	0.156	44%	0.436	C	S	.	.			trans	-63.3	145.2	-177.8	23.1	-32.2	0	0	0	112.1	Y229 N232	Y229-P235 HydrophobicContact CD1-CB 4.3Å; N232-P235 VanDerWaalsContact O-CA 3.25Å; N232-P235 WeakPolarHBondContact O-CA 3.41Å
236	R	82.1	Confident	63.5	Low	29 Å²	29	80.5 Å²	80.5	11%	0.109	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.4	-176.3	-69.4	178.7	170.7	-81.3	-3.5	111.4	H190 S192 G193 C194 E198 Y229 V230	H190-R236 PolarHBondContact CD2-NH2 3.12Å; H190-R236 VanDerWaalsContact CD2-NH2 3.33Å; H190-R236 PolarHBondContact CE1-NE 2.93Å; H190-R236 VanDerWaalsContact CG-NH1 3.33Å; H190-R236 WeakPolarHBondContact ND1-CD 3.5Å; H190-R236 PolarHBondContact ND1-NE 2.91Å; H190-R236 PolarHBondContact NE2-NE 3.15Å; S192-R236 VanDerWaalsContact O-CB 3.27Å; S192-R236 WeakPolarHBondContact O-CB 3.47Å; G193-R236 PolarHBondContact O-NH1 3.34Å; C194-R236 CarbonylContact O-C 3.59Å; C194-R236 WeakPolarHBondContact O-CA 3.43Å; E198-R236 IonicContact OE1-NH1 3.26Å; E198-R236 PolarHBondContact OE1-NH1 2.91Å; E198-R236 IonicContact OE1-NH2 2.72Å; E198-R236 IonicContact OE2-CZ 3.05Å; E198-R236 IonicContact OE2-NH1 2.95Å; E198-R236 PolarHBondContact OE2-NH1 3.07Å; Y229-R236 CarbonylContact C-O 3.55Å; Y229-R236 WeakPolarHBondContact CA-O 3.43Å; V230-R236 PolarHBondContact N-O 2.97Å; V230-R236 PolarHBondContact O-N 3.05Å
237	L	85.6	Confident	61	Low	1 Å²	1	84.1 Å²	84.1	1%	0.005	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131	178.4	-68.9	160.5	0	0	0	110.1	I185 G193 C194 M196 I218 I222 Y229	I185-L237 HydrophobicContact CD1-CB 4.27Å; I185-L237 HydrophobicContact CD1-CD1 4.47Å; G193-L237 CarbonylContact C-O 3.52Å; G193-L237 WeakPolarHBondContact CA-O 3.35Å; C194-L237 PolarHBondContact N-O 3.37Å; C194-L237 PolarHBondContact O-N 2.94Å; M196-L237 HydrophobicContact SD-CD1 3.88Å; I218-L237 HydrophobicContact CD1-CD1 4.08Å; I218-L237 HydrophobicContact CG1-CD1 4.5Å; I218-L237 HydrophobicContact CG2-CD1 4.06Å; I218-L237 HydrophobicContact CG2-CD2 3.89Å; I222-L237 HydrophobicContact CD1-CD2 4.19Å; Y229-L237 HydrophobicContact CD1-CD2 3.9Å; Y229-L237 HydrophobicContact CD1-CG 4.33Å; Y229-L237 HydrophobicContact CE1-CD2 3.56Å; Y229-L237 HydrophobicContact CE1-CG 3.95Å; Y229-L237 HydrophobicContact CE2-CD2 4.36Å; Y229-L237 HydrophobicContact CG-CD2 4.41Å
238	K	84.7	Confident	58.2	Low	81 Å²	81	90.2 Å²	90.2	35%	0.352	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.2	173.8	-163.6	-175.3	177.4	-162.2	0	110.1	L227 H228 V230 D241	L227-K238 WeakPolarHBondContact CA-O 3.38Å; H228-K238 PolarHBondContact N-O 3.43Å; H228-K238 PolarHBondContact ND1-O 3.45Å; H228-K238 PolarHBondContact O-N 3.42Å; V230-K238 HydrophobicContact CG2-CB 3.86Å; K238-D241 IonicContact NZ-OD2 2.99Å
239	I	85.2	Confident	55.6	Low	39 Å²	39	92.6 Å²	92.6	20%	0.2	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.4	173.1	-62.9	169.1	0	0	0	108.3	L182 I185 K186 I226 L227 D241	L182-I239 HydrophobicContact CD2-CD1 4.21Å; L182-I239 HydrophobicContact CD2-CG1 4.17Å; I185-I239 HydrophobicContact CG2-CD1 4.17Å; I185-I239 HydrophobicContact CG2-CG1 3.92Å; K186-I239 HydrophobicContact CD-CD1 4.16Å; K186-I239 HydrophobicContact CG-CD1 3.36Å; I226-I239 WeakPolarHBondContact O-CA 3.23Å; L227-I239 HydrophobicContact CD2-CG1 3.76Å; I239-D241 PolarHBondContact O-N 3.41Å
240	T	78.8	Confident	52.9	Low	61 Å²	61	98.5 Å²	98.5	37%	0.374	57%	0.565	S	S	.	*			trans	-71.6	110.1	178.3	-39.5	0	0	0	0	109.3	K225 I226 H228 V242	K225-T240 WeakPolarHBondContact O-CB 3.42Å; K225-T240 PolarHBondContact O-OG1 3.24Å; I226-T240 PolarHBondContact O-N 3.25Å; I226-T240 PolarHBondContact O-OG1 3.13Å; H228-T240 PolarHBondContact ND1-OG1 2.98Å; T240-V242 PolarHBondContact O-N 3.49Å
241	D	59.5	Low	50.5	Low	106 Å²	106	102 Å²	102	57%	0.567	59%	0.59	S	S	*	*			trans	-73.7	119	172.6	-68.3	-44.5	0	0	0	108.6	K238 I239 E243	K238-D241 IonicContact NZ-OD2 2.99Å; I239-D241 PolarHBondContact O-N 3.41Å; D241-E243 PolarHBondContact O-N 2.88Å
242	V	39.9	Very low	49.2	Very low	148 Å²	148	100.8 Å²	100.8	90%	0.897	59%	0.591	S	S	*	*			trans	-78	76.9	169	-173.9	0	0	0	0	107	T240	T240-V242 PolarHBondContact O-N 3.49Å
243	E	30.9	Very low	47.9	Very low	171 Å²	171	106.9 Å²	106.9	80%	0.799	62%	0.615	S	S	*	*			trans	-98.4	134.4	166.7	-81.4	-171.5	164.8	0	0	110.6	D241	D241-E243 PolarHBondContact O-N 2.88Å
244	S	27.4	Very low	47	Very low	108 Å²	108	105.5 Å²	105.5	76%	0.755	61%	0.605	S	S	*	*			trans	-59.4	118.7	-173.8	49.5	0	0	0	0	115.1
245	D	28.6	Very low	45.7	Very low	167 Å²	167	110.1 Å²	110.1	89%	0.893	62%	0.621	S	S	*	*			trans	-116.7	71.3	156.2	-83.5	-25.1	0	0	0	109.4
246	L	26.4	Very low	43.7	Very low	173 Å²	173	116.1 Å²	116.1	91%	0.906	65%	0.65	S	S	*	*			trans	-138.7	76.5	168.4	-135.8	98.5	0	0	0	110.6
247	S	27.6	Very low	41.2	Very low	112 Å²	112	118.7 Å²	118.7	78%	0.783	67%	0.672	S	S	*	*			trans	-176.4	132.8	155.8	63.2	0	0	0	0	105.5
248	T	27.9	Very low	38.4	Very low	130 Å²	130	128.9 Å²	128.9	80%	0.798	71%	0.711	S	S	*	*			cis	-169.2	129	36.8	-53.5	0	0	0	0	106.9
249	S	29.9	Very low	35.8	Very low	121 Å²	121	130.9 Å²	130.9	85%	0.846	73%	0.725	S	S	*	*			trans	179.8	122.9	145.4	174.6	0	0	0	0	110.3
250	M	27.2	Very low	33	Very low	173 Å²	173	137 Å²	137	85%	0.852	75%	0.753	S	S	*	*			trans	-71.4	146.8	-165.5	-48.9	-162.8	79	0	0	114.5
251	C	26.1	Very low	30.6	Very low	110 Å²	110	139.6 Å²	139.6	74%	0.743	77%	0.769	S	S	*	*				157.5	133.5	95.4	-153	0	0	0	0	112.7
252	S	31.6	Very low	29.1	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	78%	0.775	S	S	*	*			trans	63.8	98.9	156.2	32.7	0	0	0	0	119.3
253	K	29.1	Very low	28.5	Very low	198 Å²	198	143.3 Å²	143.3	86%	0.861	77%	0.77	S	S	*	*				76.5	108.5	85.7	-89.6	-171.2	176.4	-178.4	0	114.1
254	S	29.9	Very low	28.4	Very low	97 Å²	97	142 Å²	142	68%	0.678	77%	0.774	S	S	*	*				95.1	130	112.4	58.2	0	0	0	0	110.7
255	E	31.8	Very low	28.4	Very low	164 Å²	164	142 Å²	142	77%	0.766	78%	0.781	S	S	*	*			cis	-167.4	140.5	32.9	-109.7	151.9	-169.3	0	0	107.1
256	I	28.3	Very low	28.2	Very low	150 Å²	150	137.1 Å²	137.1	77%	0.769	77%	0.77	S	S	*	*				54.5	123.4	97.8	-56.1	-178.3	0	0	0	111.5
257	S	27.8	Very low	28.2	Very low	82 Å²	82	135.9 Å²	135.9	57%	0.573	77%	0.769	S	S	*	*			cis	-177.2	155.2	15.8	49.5	0	0	0	0	111.7
258	R	27.7	Very low	28.1	Very low	215 Å²	215	135.7 Å²	135.7	81%	0.811	77%	0.768	S	S	*	*			trans	77.6	131	130.7	-83.1	175.3	-175.2	134.5	0.6	123.4
259	N	29.5	Very low	28	Very low	123 Å²	123	133.7 Å²	133.7	66%	0.658	76%	0.759	S	S	*	*			trans	91	110.6	143.5	-64	6	0	0	0	116.5
260	E	27.5	Very low	27.8	Very low	168 Å²	168	135 Å²	135	79%	0.785	76%	0.757	S	S	*	*				63.3	123.5	89.2	-76.7	-176.4	170.3	0	0	110
261	T	28.8	Very low	27.7	Very low	115 Å²	115	135.1 Å²	135.1	71%	0.706	76%	0.76	S	S	*	*			cis	-171.4	167.1	30.8	10.2	0	0	0	0	109.1
262	D	28	Very low	27.7	Very low	129 Å²	129	139.6 Å²	139.6	69%	0.69	77%	0.767	S	S	*	*			trans	85.6	112.5	149.4	-65.6	-17.9	0	0	0	123.8
263	Y	27.3	Very low	27.4	Very low	203 Å²	203	140.7 Å²	140.7	80%	0.796	77%	0.773	S	S	*	*			trans	32.2	118	133.4	-65.9	-87.7	0	0	0	119.8
264	T	27.8	Very low	27.3	Very low	145 Å²	145	136.7 Å²	136.7	89%	0.89	77%	0.77	S	S	*	*				174.5	157	102.1	34.7	0	0	0	0	111.8
265	A	26.5	Very low	27.2	Very low	108 Å²	108	137.4 Å²	137.4	89%	0.893	77%	0.771	S	S	*	*			trans	-58.9	151.1	-166.2	0	0	0	0	0	116.9
266	G	25.8	Very low	26.9	Very low	64 Å²	64	135.3 Å²	135.3	66%	0.66	77%	0.765	S	S	*	*			trans	164.5	94.8	162.7	0	0	0	0	0	114.9
267	T	25.4	Very low	26.8	Very low	147 Å²	147	134.1 Å²	134.1	90%	0.902	77%	0.77	S	S	*	*			trans	50.7	126.1	141.6	47.9	0	0	0	0	121.6
268	S	26.1	Very low	26.8	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	78%	0.779	S	S	*	*			trans	114.9	117.6	132.5	-157.5	0	0	0	0	117.1
269	S	25.5	Very low	26.8	Very low	88 Å²	88	132.6 Å²	132.6	62%	0.615	78%	0.777	S	S	*	*			trans	66.6	135.6	136.8	58	0	0	0	0	120.8
270	D	25.5	Very low	26.7	Very low	148 Å²	148	129.3 Å²	129.3	79%	0.791	76%	0.763	S	S	*	*			trans	88.1	88.7	151.8	-55.6	-27.8	0	0	0	118.3
271	L	26.6	Very low	26.7	Very low	176 Å²	176	124.4 Å²	124.4	92%	0.921	75%	0.745	S	S	*	*			trans	-136.6	102.5	146.8	-90.8	163.8	0	0	0	110.7	C273	L271-C273 PolarHBondContact O-N 3.47Å
272	K	25.3	Very low	26.7	Very low	205 Å²	205	126.2 Å²	126.2	89%	0.891	75%	0.75	S	S	*	*			trans	-51.1	120.3	159.4	-78	169.1	172.3	170.1	0	109.2
273	C	24.3	Very low	26.7	Very low	123 Å²	123	125.7 Å²	125.7	83%	0.831	75%	0.747	S	S	*	*			trans	-102.1	114.9	166.7	-167.3	0	0	0	0	108.9	L271	L271-C273 PolarHBondContact O-N 3.47Å
274	S	28.6	Very low	26.8	Very low	113 Å²	113	124.8 Å²	124.8	79%	0.79	74%	0.743	S	S	*	*			trans	-69.3	127.9	176.8	-54.9	0	0	0	0	110.4
275	T	26.2	Very low	26.8	Very low	113 Å²	113	126.1 Å²	126.1	69%	0.693	74%	0.74	S	S	*	*			trans	-69.7	156.9	172.7	42.1	0	0	0	0	112.5
276	D	26.3	Very low	27	Very low	120 Å²	120	125 Å²	125	64%	0.642	72%	0.718	S	S	*	*			trans	96.9	89.7	159.2	-54.3	-26.9	0	0	0	116.7
277	S	26.4	Very low	27.5	Very low	125 Å²	125	124 Å²	124	87%	0.874	70%	0.7	S	S	*	*			trans	171.2	71.1	142.3	45.1	0	0	0	0	113.6
278	S	27.8	Very low	28.5	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	68%	0.676	S	S	*	*			trans	-163.2	70.1	162.2	54.6	0	0	0	0	111.9
279	M	28	Very low	29.8	Very low	154 Å²	154	116.5 Å²	116.5	76%	0.759	65%	0.648	S	S	*	*			trans	-135.6	70.6	176.6	-81.8	-90.9	95.6	0	0	109.4
280	S	26.8	Very low	31.7	Very low	54 Å²	54	116.5 Å²	116.5	38%	0.378	64%	0.638	S	S	.	*	S	Bend	trans	178.7	70	163.7	50.3	0	0	0	0	113.5	N231	N231-S280 PolarHBondContact OD1-OG 3.25Å; N231-S280 VanDerWaalsContact OD1-OG 3.14Å
281	T	27.3	Very low	34.2	Very low	64 Å²	64	109.5 Å²	109.5	39%	0.393	60%	0.601	S	S	.	*	S	Bend	trans	-154.9	-13.2	161.2	-4.3	0	0	0	0	119.2	Y229	Y229-T281 HydrophobicContact CD1-CG2 4.46Å; Y229-T281 HydrophobicContact CD2-CG2 4.42Å; Y229-T281 HydrophobicContact CE1-CG2 3.8Å; Y229-T281 HydrophobicContact CE2-CG2 3.74Å; Y229-T281 VanDerWaalsContact CZ-CG2 3.42Å
282	D	28.4	Very low	36.9	Very low	154 Å²	154	104.2 Å²	104.2	82%	0.824	57%	0.571	S	S	*	*	S	Bend	trans	-106.7	25.6	-169.5	-61.7	-29.1	0	0	0	116.3
283	L	29.8	Very low	39.9	Very low	118 Å²	118	94.5 Å²	94.5	62%	0.618	53%	0.529	S	S	*	.			trans	-129.7	62.8	-178.1	-70.7	171	0	0	0	112.6	I286	L283-I286 HydrophobicContact CD2-CD1 3.81Å
284	Y	27.5	Very low	43.1	Very low	183 Å²	183	88.7 Å²	88.7	72%	0.718	49%	0.49	S	S	*	.	S	Bend	trans	-138.5	50.9	169.7	-83.3	-80.8	0	0	0	112.1
285	E	28.7	Very low	46.1	Very low	174 Å²	174	83.3 Å²	83.3	81%	0.813	45%	0.452	S	S	*	.			trans	-152.6	19.8	164.2	-125.2	168.3	-156.8	0	0	114.8	S287	E285-S287 PolarHBondContact O-N 3.47Å
286	I	31.2	Very low	49.2	Very low	84 Å²	84	78 Å²	78	43%	0.431	42%	0.42	S	S	.	.	S	Bend	trans	-86.7	86.7	-179	-57.6	-176	0	0	0	110.8	L283 L622	L283-I286 HydrophobicContact CD2-CD1 3.81Å; I286-L622 HydrophobicContact CD1-CB 4.08Å; I286-L622 HydrophobicContact CD1-CD1 4.32Å; I286-L622 HydrophobicContact CD1-CD2 4.1Å; I286-L622 HydrophobicContact CD1-CG 4.42Å
287	S	36.8	Very low	52.2	Low	43 Å²	43	73.8 Å²	73.8	30%	0.301	40%	0.397	S	S	.	.			trans	44.1	81.9	152.2	73	0	0	0	0	118.3	E285 Y289 Q623	E285-S287 PolarHBondContact O-N 3.47Å; S287-Y289 PolarHBondContact O-N 3.21Å; S287-Q623 PolarHBondContact OG-NE2 2.87Å
288	S	45.1	Very low	55.1	Low	55 Å²	55	74.2 Å²	74.2	39%	0.385	39%	0.385	S	S	.	.			trans	-65	116.5	134.1	48.8	0	0	0	0	106.8	E290 T398	S288-E290 PolarHBondContact O-N 3.29Å; S288-E290 VanDerWaalsContact O-N 3.11Å; S288-T398 WeakPolarHBondContact OG-CB 3.25Å; S288-T398 WeakPolarHBondContact OG-CG2 3.13Å
289	Y	54.5	Low	57.9	Low	42 Å²	42	74.9 Å²	74.9	17%	0.165	38%	0.376	C	S	.	.			trans	-61.5	117.3	-175	-68.8	-89.7	0	0	0	110.9	S287 L291 I336 Q623 H658 M660	S287-Y289 PolarHBondContact O-N 3.21Å; Y289-L291 PolarHBondContact O-N 3.36Å; Y289-I336 HydrophobicContact CD1-CG2 3.18Å; Y289-I336 HydrophobicContact CD2-CG2 3.57Å; Y289-I336 HydrophobicContact CE1-CG2 3.46Å; Y289-I336 VanDerWaalsContact CE1-CG2 3.46Å; Y289-I336 HydrophobicContact CE2-CG2 3.86Å; Y289-I336 HydrophobicContact CG-CG2 3.2Å; Y289-Q623 VanDerWaalsContact CZ-NE2 3.26Å; Y289-Q623 PolarHBondContact OH-NE2 3.44Å; Y289-H658 AromaticContact CD2-CE1 3.8Å; Y289-H658 AromaticContact CD2-NE2 3.63Å; Y289-H658 AromaticContact CE2-CE1 3.9Å; Y289-H658 AromaticContact CE2-NE2 3.47Å; Y289-H658 WeakPolarHBondContact CE2-NE2 3.27Å; Y289-M660 HydrophobicContact CD2-CE 3.89Å; Y289-M660 HydrophobicContact CE2-CE 3.29Å
290	E	64.4	Low	60.6	Low	87 Å²	87	70.4 Å²	70.4	41%	0.407	36%	0.355	S	S	.	.			trans	-76.6	116	-175	-69.1	179.7	141.7	0	0	110.7	S288 H292 T396 T398	S288-E290 PolarHBondContact O-N 3.29Å; S288-E290 VanDerWaalsContact O-N 3.11Å; E290-H292 PolarHBondContact O-N 2.88Å; E290-H292 PolarHBondContact O-ND1 2.73Å; E290-T396 HydrophobicContact CB-CG2 3.55Å; E290-T396 HydrophobicContact CG-CG2 3.61Å; E290-T396 WeakPolarHBondContact OE1-CB 3.45Å; E290-T396 WeakPolarHBondContact OE1-CG2 3.3Å; E290-T396 WeakPolarHBondContact OE2-CG2 3.42Å; E290-T398 HydrophobicContact CG-CG2 3.71Å
291	L	78.2	Confident	63.4	Low	1 Å²	1	71.8 Å²	71.8	1%	0.005	36%	0.358	C	S	.	.			trans	-79	116.1	175.4	-176.5	59.5	0	0	0	110.5	Y289 F293 I327 C329 D333 L334 V339 T372 F399	Y289-L291 PolarHBondContact O-N 3.36Å; L291-F293 HydrophobicContact CB-CD1 4.46Å; L291-F293 HydrophobicContact CD2-CD1 4.1Å; L291-F293 HydrophobicContact CG-CB 4.41Å; L291-F293 HydrophobicContact CG-CD1 3.92Å; L291-I327 HydrophobicContact CD2-CD1 4.27Å; L291-C329 HydrophobicContact CD1-CB 4.2Å; L291-D333 HydrophobicContact CD1-CB 4.01Å; L291-L334 HydrophobicContact CD1-CB 4.31Å; L291-L334 HydrophobicContact CD1-CD1 4.36Å; L291-L334 HydrophobicContact CD2-CD1 3.95Å; L291-V339 HydrophobicContact CD2-CG1 4.31Å; L291-V339 HydrophobicContact CD2-CG2 3.86Å; L291-T372 PolarHBondContact O-OG1 3.42Å; L291-F399 HydrophobicContact CB-CE2 4.15Å; L291-F399 HydrophobicContact CD2-CE2 4.42Å
292	H	83.1	Confident	66.2	Low	66 Å²	66	70.4 Å²	70.4	31%	0.306	35%	0.35	S	S	.	.			trans	-93.1	113.9	174	-73.3	83.6	0	0	0	109.7	E290 C329 T372 N373	E290-H292 PolarHBondContact O-N 2.88Å; E290-H292 PolarHBondContact O-ND1 2.73Å; H292-C329 WeakPolarHBondContact O-CB 3.21Å; H292-T372 WeakPolarHBondContact CA-OG1 3.41Å; H292-N373 WeakPolarHBondContact CB-OD1 3.5Å
293	F	88.5	Confident	69	Low	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	157	-174.3	74.3	-89.9	0	0	0	113	L291 Y295 I327 R328 C329 L362 P368 C371 T372 N373	L291-F293 HydrophobicContact CB-CD1 4.46Å; L291-F293 HydrophobicContact CD2-CD1 4.1Å; L291-F293 HydrophobicContact CG-CB 4.41Å; L291-F293 HydrophobicContact CG-CD1 3.92Å; F293-Y295 HydrophobicContact CE2-CD1 4.18Å; F293-Y295 HydrophobicContact CE2-CD2 4.1Å; F293-Y295 AromaticContact CE2-CE1 3.76Å; F293-Y295 HydrophobicContact CE2-CE1 3.76Å; F293-Y295 AromaticContact CE2-CE2 3.69Å; F293-Y295 HydrophobicContact CE2-CE2 3.69Å; F293-Y295 HydrophobicContact CE2-CG 4.32Å; F293-Y295 AromaticContact CE2-CZ 3.51Å; F293-Y295 HydrophobicContact CZ-CE2 4.26Å; F293-I327 HydrophobicContact CB-CB 4.3Å; F293-I327 HydrophobicContact CB-CD1 4.13Å; F293-I327 HydrophobicContact CD2-CB 3.83Å; F293-I327 HydrophobicContact CD2-CD1 4.41Å; F293-I327 HydrophobicContact CD2-CG2 3.38Å; F293-I327 HydrophobicContact CE2-CG2 3.67Å; F293-I327 HydrophobicContact CG-CB 4.39Å; F293-I327 HydrophobicContact CG-CD1 4.27Å; F293-I327 HydrophobicContact CG-CG2 4.28Å; F293-R328 CarbonylContact C-O 3.56Å; F293-R328 VanDerWaalsContact CA-O 3.31Å; F293-R328 WeakPolarHBondContact CA-O 3.39Å; F293-C329 HydrophobicContact CB-CB 3.78Å; F293-L362 HydrophobicContact CE2-CD2 4.5Å; F293-L362 HydrophobicContact CZ-CD2 4.14Å; F293-P368 HydrophobicContact CE1-CG 3.99Å; F293-P368 HydrophobicContact CZ-CG 3.62Å; F293-C371 WeakPolarHBondContact O-CB 3.35Å; F293-T372 HydrophobicContact CD1-CG2 4.41Å; F293-T372 WeakPolarHBondContact CD1-OG1 3.46Å; F293-T372 HydrophobicContact CE1-CG2 4.12Å; F293-T372 PolarHBondContact N-OG1 3.37Å; F293-T372 PolarHBondContact O-N 3.48Å; F293-T372 VanDerWaalsContact O-N 3.07Å; F293-T372 PolarHBondContact O-OG1 2.85Å; F293-N373 PolarHBondContact N-ND2 3.42Å; F293-N373 PolarHBondContact O-N 3.38Å; F293-N373 VanDerWaalsContact O-N 3.12Å
294	T	90.4	Very high	71.5	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.3	172.2	-46.2	0	0	0	0	108.8	P302 I327 R328 C371 N373 I375	T294-P302 HydrophobicContact CG2-CB 3.58Å; T294-I327 CarbonylContact O-C 3.56Å; T294-I327 VanDerWaalsContact O-CA 3.28Å; T294-I327 WeakPolarHBondContact O-CA 3.33Å; T294-R328 PolarHBondContact N-O 2.98Å; T294-R328 PolarHBondContact O-N 2.83Å; T294-C371 HydrophobicContact CG2-CB 4.46Å; T294-N373 WeakPolarHBondContact OG1-CB 3.24Å; T294-I375 HydrophobicContact CG2-CD1 3.73Å; T294-I375 HydrophobicContact CG2-CG1 3.78Å
295	Y	92.5	Very high	74.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	153.7	171.2	-73.9	-68.2	0	0	0	110	F293 P302 V303 K306 A309 I327 P368 C371	F293-Y295 HydrophobicContact CE2-CD1 4.18Å; F293-Y295 HydrophobicContact CE2-CD2 4.1Å; F293-Y295 AromaticContact CE2-CE1 3.76Å; F293-Y295 HydrophobicContact CE2-CE1 3.76Å; F293-Y295 AromaticContact CE2-CE2 3.69Å; F293-Y295 HydrophobicContact CE2-CE2 3.69Å; F293-Y295 HydrophobicContact CE2-CG 4.32Å; F293-Y295 AromaticContact CE2-CZ 3.51Å; F293-Y295 HydrophobicContact CZ-CE2 4.26Å; Y295-P302 CarbonylContact O-C 3.46Å; Y295-P302 WeakPolarHBondContact O-CA 3.34Å; Y295-V303 WeakPolarHBondContact CB-O 3.39Å; Y295-V303 PolarHBondContact O-N 3Å; Y295-K306 HydrophobicContact CD2-CB 4.4Å; Y295-K306 HydrophobicContact CE1-CB 4.21Å; Y295-K306 HydrophobicContact CE1-CG 4.15Å; Y295-K306 HydrophobicContact CE2-CB 3.74Å; Y295-K306 HydrophobicContact CE2-CG 4.48Å; Y295-A309 HydrophobicContact CD1-CB 3.64Å; Y295-A309 HydrophobicContact CG-CB 4.05Å; Y295-I327 HydrophobicContact CD1-CG2 3.6Å; Y295-I327 HydrophobicContact CE1-CG2 3.71Å; Y295-P368 WeakPolarHBondContact CE2-O 3.37Å; Y295-P368 PolarHBondContact OH-O 3.43Å; Y295-C371 HydrophobicContact CD2-CB 4.19Å
296	V	90.6	Very high	77	Confident	2 Å²	2	51 Å²	51	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.5	-175.5	-168.4	0	0	0	0	110.2	N300 N301 A309 H310 R326 R328 Y359	V296-N300 HydrophobicContact CG1-CB 4.36Å; V296-N301 WeakPolarHBondContact CA-O 3.5Å; V296-A309 CarbonylContact O-C 3.53Å; V296-A309 WeakPolarHBondContact O-CA 3.42Å; V296-H310 PolarHBondContact O-N 3.18Å; V296-R326 HydrophobicContact CB-CG 4.37Å; V296-R326 PolarHBondContact N-O 2.95Å; V296-R328 HydrophobicContact CG2-CB 3.59Å; V296-Y359 HydrophobicContact CB-CE1 4.5Å; V296-Y359 HydrophobicContact CG1-CD1 4.44Å; V296-Y359 HydrophobicContact CG1-CE1 3.97Å; V296-Y359 HydrophobicContact CG2-CD1 4.18Å; V296-Y359 HydrophobicContact CG2-CE1 4Å
297	D	90.6	Very high	79.6	Confident	30 Å²	30	49.6 Å²	49.6	16%	0.16	27%	0.267	C	S	.	.			trans	-75.6	-173	172.7	73.7	6.5	0	0	0	112.7	H299 N300 N301 V303 R326	D297-H299 PolarHBondContact O-N 3.46Å; D297-H299 VanDerWaalsContact OD1-C 3.29Å; D297-H299 WeakPolarHBondContact OD1-CA 3.25Å; D297-H299 PolarHBondContact OD1-N 3.01Å; D297-N300 PolarHBondContact OD1-N 3.21Å; D297-N301 PolarHBondContact N-O 3Å; D297-N301 PolarHBondContact OD1-N 3.07Å; D297-N301 WeakPolarHBondContact OD2-CB 3.34Å; D297-N301 PolarHBondContact OD2-ND2 3.25Å; D297-V303 HydrophobicContact CB-CG1 4.04Å; D297-R326 PolarHBondContact O-NH1 3.33Å; D297-R326 VanDerWaalsContact O-NH1 3.14Å
298	E	87.5	Confident	82.1	Confident	134 Å²	134	52.4 Å²	52.4	63%	0.626	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.2	177.8	67.6	-168.9	164.6	0	0	113.3
299	H	86.1	Confident	84.2	Confident	125 Å²	125	50 Å²	50	58%	0.579	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	11	-177.2	-60.6	103.4	0	0	0	113.2	D297 N301	D297-H299 PolarHBondContact O-N 3.46Å; D297-H299 VanDerWaalsContact OD1-C 3.29Å; D297-H299 WeakPolarHBondContact OD1-CA 3.25Å; D297-H299 PolarHBondContact OD1-N 3.01Å; H299-N301 VanDerWaalsContact C-N 3.28Å; H299-N301 WeakPolarHBondContact CB-ND2 3.26Å; H299-N301 PolarHBondContact O-N 3.27Å
300	N	84	Confident	85.9	Confident	60 Å²	60	50.9 Å²	50.9	32%	0.321	27%	0.268	S	S	.	.	S	Bend	trans	69.2	13.8	-175	-64.4	-34.9	0	0	0	115.7	V296 D297 R326 S347	V296-N300 HydrophobicContact CG1-CB 4.36Å; D297-N300 PolarHBondContact OD1-N 3.21Å; N300-R326 PolarHBondContact OD1-NH1 3.27Å; N300-R326 PolarHBondContact OD1-NH2 2.75Å; N300-S347 PolarHBondContact ND2-OG 3.19Å; N300-S347 PolarHBondContact OD1-OG 2.59Å
301	N	86.5	Confident	87.2	Confident	83 Å²	83	51.3 Å²	51.3	44%	0.444	27%	0.27	S	S	.	.			trans	-81.3	138.5	176.5	-53.3	-58.2	0	0	0	110.9	V296 D297 H299 V303	V296-N301 WeakPolarHBondContact CA-O 3.5Å; D297-N301 PolarHBondContact N-O 3Å; D297-N301 PolarHBondContact OD1-N 3.07Å; D297-N301 WeakPolarHBondContact OD2-CB 3.34Å; D297-N301 PolarHBondContact OD2-ND2 3.25Å; H299-N301 VanDerWaalsContact C-N 3.28Å; H299-N301 WeakPolarHBondContact CB-ND2 3.26Å; H299-N301 PolarHBondContact O-N 3.27Å; N301-V303 PolarHBondContact O-N 3.15Å
302	P	85.7	Confident	87.6	Confident	36 Å²	36	57.7 Å²	57.7	23%	0.234	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.6	176.6	30.3	-35.1	0	0	0	110.4	T294 Y295 I375	T294-P302 HydrophobicContact CG2-CB 3.58Å; Y295-P302 CarbonylContact O-C 3.46Å; Y295-P302 WeakPolarHBondContact O-CA 3.34Å; P302-I375 HydrophobicContact CB-CD1 3.89Å; P302-I375 HydrophobicContact CB-CG1 4.27Å; P302-I375 HydrophobicContact CB-CG2 4.25Å; P302-I375 HydrophobicContact CG-CG2 4.02Å
303	V	87.7	Confident	87.7	Confident	20 Å²	20	60.4 Å²	60.4	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.4	175.6	-62.5	0	0	0	0	110.1	Y295 D297 N301 N308 A309	Y295-V303 WeakPolarHBondContact CB-O 3.39Å; Y295-V303 PolarHBondContact O-N 3Å; D297-V303 HydrophobicContact CB-CG1 4.04Å; N301-V303 PolarHBondContact O-N 3.15Å; V303-N308 HydrophobicContact CB-CB 3.98Å; V303-N308 HydrophobicContact CG1-CB 4.14Å; V303-N308 HydrophobicContact CG2-CB 4.06Å; V303-A309 HydrophobicContact CG2-CB 4.43Å
304	H	81.4	Confident	87.1	Confident	91 Å²	91	61.9 Å²	61.9	42%	0.421	31%	0.313	S	S	.	.	S	Bend	trans	-78.5	-37.6	-179.5	-76.8	-73.9	0	0	0	112.8	L370 C371	H304-L370 HydrophobicContact CB-CD2 4.37Å; H304-L370 CarbonylContact O-C 3.48Å; H304-L370 VanDerWaalsContact O-CA 3.29Å; H304-L370 WeakPolarHBondContact O-CA 3.39Å; H304-C371 PolarHBondContact O-N 3.4Å
305	L	85.1	Confident	86.3	Confident	88 Å²	88	67.7 Å²	67.7	46%	0.461	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-98	135.6	-170.2	-72	164.1	0	0	0	111.4	G307 N308 A309 N369 L370	L305-G307 PolarHBondContact O-N 3.09Å; L305-N308 PolarHBondContact O-N 2.96Å; L305-A309 PolarHBondContact O-N 2.78Å; L305-N369 CarbonylContact C-O 3.57Å; L305-N369 WeakPolarHBondContact CA-O 3.33Å; L305-L370 HydrophobicContact CD2-CD2 4.31Å
306	K	88	Confident	84.6	Confident	23 Å²	23	70.7 Å²	70.7	10%	0.1	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-50.3	-37.7	171.4	-179.5	179.3	178.2	178.2	0	112.7	Y295 N308 A309 Y325 P365 A367 N369	Y295-K306 HydrophobicContact CD2-CB 4.4Å; Y295-K306 HydrophobicContact CE1-CB 4.21Å; Y295-K306 HydrophobicContact CE1-CG 4.15Å; Y295-K306 HydrophobicContact CE2-CB 3.74Å; Y295-K306 HydrophobicContact CE2-CG 4.48Å; K306-N308 VanDerWaalsContact C-N 3.26Å; K306-N308 PolarHBondContact O-N 3.26Å; K306-A309 WeakPolarHBondContact O-CB 3.38Å; K306-A309 PolarHBondContact O-N 2.78Å; K306-Y325 HydrophobicContact CD-CD1 4.45Å; K306-Y325 HydrophobicContact CD-CD2 4.41Å; K306-Y325 HydrophobicContact CD-CE1 4.29Å; K306-Y325 HydrophobicContact CD-CE2 4.26Å; K306-Y325 VanDerWaalsContact CE-CD2 3.44Å; K306-Y325 HydrophobicContact CG-CD1 3.52Å; K306-Y325 HydrophobicContact CG-CD2 4.22Å; K306-Y325 HydrophobicContact CG-CE1 3.64Å; K306-Y325 HydrophobicContact CG-CE2 4.33Å; K306-Y325 HydrophobicContact CG-CG 3.83Å; K306-Y325 WeakPolarHBondContact O-CD1 3.21Å; K306-P365 PolarHBondContact NZ-O 3.48Å; K306-A367 HydrophobicContact CD-CB 4.36Å; K306-A367 WeakPolarHBondContact CD-O 3.47Å; K306-A367 PolarHBondContact NZ-O 2.92Å; K306-N369 PolarHBondContact N-O 2.89Å
307	G	85.6	Confident	82.8	Confident	54 Å²	54	79.1 Å²	79.1	56%	0.557	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-64.4	-26.6	179.8	0	0	0	0	0	114.4	L305	L305-G307 PolarHBondContact O-N 3.09Å
308	N	88.4	Confident	80.9	Confident	101 Å²	101	81.7 Å²	81.7	54%	0.54	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-94.1	-5	-179.9	-62.9	0.9	0	0	0	112.2	V303 L305 K306	V303-N308 HydrophobicContact CB-CB 3.98Å; V303-N308 HydrophobicContact CG1-CB 4.14Å; V303-N308 HydrophobicContact CG2-CB 4.06Å; L305-N308 PolarHBondContact O-N 2.96Å; K306-N308 VanDerWaalsContact C-N 3.26Å; K306-N308 PolarHBondContact O-N 3.26Å
309	A	89.8	Confident	79.2	Confident	6 Å²	6	79.3 Å²	79.3	5%	0.05	43%	0.426	C	S	.	.	S	Bend	trans	-69.5	148.2	176.4	0	0	0	0	0	110	Y295 V296 V303 L305 K306 Q311 Y325	Y295-A309 HydrophobicContact CD1-CB 3.64Å; Y295-A309 HydrophobicContact CG-CB 4.05Å; V296-A309 CarbonylContact O-C 3.53Å; V296-A309 WeakPolarHBondContact O-CA 3.42Å; V303-A309 HydrophobicContact CG2-CB 4.43Å; L305-A309 PolarHBondContact O-N 2.78Å; K306-A309 WeakPolarHBondContact O-CB 3.38Å; K306-A309 PolarHBondContact O-N 2.78Å; A309-Q311 WeakPolarHBondContact O-CG 3.36Å; A309-Q311 PolarHBondContact O-N 3.28Å; A309-Y325 HydrophobicContact CB-CD1 4.42Å
310	H	90.6	Very high	77.9	Confident	60 Å²	60	83.3 Å²	83.3	28%	0.278	44%	0.436	S	S	.	.			trans	-61.8	127.6	170.4	178.8	-104.7	0	0	0	109.9	V296 R326 Y361	V296-H310 PolarHBondContact O-N 3.18Å; H310-R326 HydrophobicContact CB-CB 3.94Å; H310-R326 WeakPolarHBondContact O-CB 3.45Å; H310-R326 PolarHBondContact O-N 3.07Å; H310-Y361 PolarHBondContact CE1-OH 3.34Å; H310-Y361 AromaticContact ND1-CE1 3.5Å; H310-Y361 WeakPolarHBondContact ND1-CE1 3.46Å; H310-Y361 AromaticContact ND1-CZ 3.57Å; H310-Y361 PolarHBondContact ND1-OH 3.29Å
311	Q	90.4	Very high	77.1	Confident	95 Å²	95	84.6 Å²	84.6	44%	0.444	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.8	-175.5	-63	179.8	29	0	0	110.1	A309 T323 G324 Y325	A309-Q311 WeakPolarHBondContact O-CG 3.36Å; A309-Q311 PolarHBondContact O-N 3.28Å; Q311-T323 HydrophobicContact CB-CG2 3.87Å; Q311-T323 HydrophobicContact CG-CG2 4.16Å; Q311-G324 WeakPolarHBondContact CA-O 3.28Å; Q311-Y325 HydrophobicContact CG-CD1 3.85Å; Q311-Y325 HydrophobicContact CG-CE1 3.84Å
312	R	86.6	Confident	76.5	Confident	135 Å²	135	81.9 Å²	81.9	51%	0.509	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.7	173.4	-171.1	171.9	-176.8	179.8	4.4	110.1	Y314 G324 Y361	R312-Y314 HydrophobicContact CB-CE2 3.94Å; R312-Y314 HydrophobicContact CG-CE2 4.12Å; R312-Y314 VanDerWaalsContact O-CD2 3.25Å; R312-Y314 WeakPolarHBondContact O-CD2 3.4Å; R312-Y314 WeakPolarHBondContact O-CE2 3.36Å; R312-G324 PolarHBondContact N-O 3.33Å; R312-G324 PolarHBondContact O-N 2.71Å; R312-Y361 HydrophobicContact CB-CD1 3.9Å; R312-Y361 HydrophobicContact CB-CE1 3.56Å
313	E	84.9	Confident	76.4	Confident	123 Å²	123	82.3 Å²	82.3	58%	0.575	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	137.3	174.6	-65.6	-168.1	-177.9	0	0	111.1	N321	E313-N321 PolarHBondContact OE2-ND2 2.68Å
314	Y	77.6	Confident	76.4	Confident	32 Å²	32	81.4 Å²	81.4	13%	0.125	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.8	176.7	-65.1	-88.7	0	0	0	109.8	R312 L322 R342 Y361 L363	R312-Y314 HydrophobicContact CB-CE2 3.94Å; R312-Y314 HydrophobicContact CG-CE2 4.12Å; R312-Y314 VanDerWaalsContact O-CD2 3.25Å; R312-Y314 WeakPolarHBondContact O-CD2 3.4Å; R312-Y314 WeakPolarHBondContact O-CE2 3.36Å; Y314-L322 PolarHBondContact N-O 2.73Å; Y314-L322 PolarHBondContact O-N 2.83Å; Y314-R342 HydrophobicContact CD1-CG 4.2Å; Y314-R342 HydrophobicContact CE1-CB 4.16Å; Y314-R342 HydrophobicContact CE1-CG 3.75Å; Y314-Y361 HydrophobicContact CE2-CD1 4.44Å; Y314-Y361 HydrophobicContact CE2-CG 4.13Å; Y314-Y361 WeakPolarHBondContact OH-CD2 3.24Å; Y314-L363 HydrophobicContact CD2-CD2 3.44Å; Y314-L363 VanDerWaalsContact CD2-CD2 3.44Å; Y314-L363 HydrophobicContact CE2-CD2 3.63Å; Y314-L363 HydrophobicContact CG-CD2 4.21Å
315	N	71.9	Confident	76.9	Confident	124 Å²	124	79.1 Å²	79.1	66%	0.663	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.3	171.7	-65.9	-9.4	0	0	0	108.7	N321	N315-N321 VanDerWaalsContact OD1-CG 3.25Å; N315-N321 PolarHBondContact OD1-OD1 3.46Å
316	M	58.5	Low	77.2	Confident	62 Å²	62	75.1 Å²	75.1	31%	0.305	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.4	171.1	-64.8	-64.8	-60.3	0	0	107.3	G318 E319 L322 R342 S455	M316-G318 PolarHBondContact O-N 2.86Å; M316-E319 PolarHBondContact O-N 3.08Å; M316-E319 VanDerWaalsContact O-N 3.14Å; M316-L322 HydrophobicContact CG-CD1 4.32Å; M316-R342 PolarHBondContact SD-NH2 3.48Å; M316-S455 WeakPolarHBondContact CE-OG 3.35Å
317	D	51.4	Low	77.4	Confident	180 Å²	180	74 Å²	74	96%	0.963	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.5	98.1	-172.7	-62.9	-43.5	0	0	0	113.6
318	G	52	Low	77.6	Confident	84 Å²	84	73.3 Å²	73.3	87%	0.866	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	0.1	170.1	0	0	0	0	0	118.3	M316	M316-G318 PolarHBondContact O-N 2.86Å
319	E	50.1	Low	77.5	Confident	83 Å²	83	68.5 Å²	68.5	39%	0.388	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.6	174.8	-67.7	-167	150.2	0	0	114.2	M316 R461	M316-E319 PolarHBondContact O-N 3.08Å; M316-E319 VanDerWaalsContact O-N 3.14Å; E319-R461 WeakPolarHBondContact OE2-CD 3.33Å; E319-R461 IonicContact OE2-CZ 3.96Å; E319-R461 IonicContact OE2-NE 3.99Å; E319-R461 IonicContact OE2-NH1 3.67Å; E319-R461 PolarHBondContact OE2-NH1 3.26Å
320	R	59.3	Low	77.2	Confident	210 Å²	210	68.9 Å²	68.9	79%	0.792	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-33.9	134.9	-170.1	-55.7	175.4	176.6	177.3	-2.1	115.4	L322 R461	R320-L322 PolarHBondContact O-N 2.77Å; R320-R461 PolarHBondContact O-NH2 3.01Å
321	N	67.2	Low	76.7	Confident	86 Å²	86	67.9 Å²	67.9	46%	0.46	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-47.4	125.6	170.9	-56.8	6.6	0	0	0	110.6	E313 N315	E313-N321 PolarHBondContact OE2-ND2 2.68Å; N315-N321 VanDerWaalsContact OD1-CG 3.25Å; N315-N321 PolarHBondContact OD1-OD1 3.46Å
322	L	75.1	Confident	75.8	Confident	27 Å²	27	65.6 Å²	65.6	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.5	168	-84.1	95.7	0	0	0	109	Y314 M316 R320 L363	Y314-L322 PolarHBondContact N-O 2.73Å; Y314-L322 PolarHBondContact O-N 2.83Å; M316-L322 HydrophobicContact CG-CD1 4.32Å; R320-L322 PolarHBondContact O-N 2.77Å; L322-L363 HydrophobicContact CD2-CB 4.5Å
323	T	83.7	Confident	75.5	Confident	45 Å²	45	60.6 Å²	60.6	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	119.2	169.8	-47.5	0	0	0	0	109	Q311 Y325	Q311-T323 HydrophobicContact CB-CG2 3.87Å; Q311-T323 HydrophobicContact CG-CG2 4.16Å; T323-Y325 HydrophobicContact CG2-CE1 4.43Å; T323-Y325 HydrophobicContact CG2-CE2 4.43Å
324	G	87.1	Confident	75.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.9	170.6	0	0	0	0	0	111.2	Q311 R312 L362	Q311-G324 WeakPolarHBondContact CA-O 3.28Å; R312-G324 PolarHBondContact N-O 3.33Å; R312-G324 PolarHBondContact O-N 2.71Å; G324-L362 WeakPolarHBondContact CA-O 3.28Å
325	Y	91.6	Very high	74.9	Confident	43 Å²	43	54.1 Å²	54.1	17%	0.169	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.3	176.7	-59.7	-87.7	0	0	0	110	K306 A309 Q311 T323 I327 Y361 L362	K306-Y325 HydrophobicContact CD-CD1 4.45Å; K306-Y325 HydrophobicContact CD-CD2 4.41Å; K306-Y325 HydrophobicContact CD-CE1 4.29Å; K306-Y325 HydrophobicContact CD-CE2 4.26Å; K306-Y325 VanDerWaalsContact CE-CD2 3.44Å; K306-Y325 HydrophobicContact CG-CD1 3.52Å; K306-Y325 HydrophobicContact CG-CD2 4.22Å; K306-Y325 HydrophobicContact CG-CE1 3.64Å; K306-Y325 HydrophobicContact CG-CE2 4.33Å; K306-Y325 HydrophobicContact CG-CG 3.83Å; K306-Y325 WeakPolarHBondContact O-CD1 3.21Å; A309-Y325 HydrophobicContact CB-CD1 4.42Å; Q311-Y325 HydrophobicContact CG-CD1 3.85Å; Q311-Y325 HydrophobicContact CG-CE1 3.84Å; T323-Y325 HydrophobicContact CG2-CE1 4.43Å; T323-Y325 HydrophobicContact CG2-CE2 4.43Å; Y325-I327 PolarHBondContact O-N 2.67Å; Y325-Y361 CarbonylContact O-C 3.45Å; Y325-Y361 WeakPolarHBondContact O-CA 3.44Å; Y325-L362 PolarHBondContact N-O 2.91Å; Y325-L362 VanDerWaalsContact N-O 3.08Å; Y325-L362 PolarHBondContact O-N 3.37Å
326	R	91.9	Very high	74.8	Confident	5 Å²	5	48.5 Å²	48.5	2%	0.019	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.9	-177.2	-162.8	179.7	-166.4	-151	-0.7	111.5	V296 D297 N300 H310 D344 S347 A360 Y361	V296-R326 HydrophobicContact CB-CG 4.37Å; V296-R326 PolarHBondContact N-O 2.95Å; D297-R326 PolarHBondContact O-NH1 3.33Å; D297-R326 VanDerWaalsContact O-NH1 3.14Å; N300-R326 PolarHBondContact OD1-NH1 3.27Å; N300-R326 PolarHBondContact OD1-NH2 2.75Å; H310-R326 HydrophobicContact CB-CB 3.94Å; H310-R326 WeakPolarHBondContact O-CB 3.45Å; H310-R326 PolarHBondContact O-N 3.07Å; R326-D344 IonicContact CZ-OD2 3.2Å; R326-D344 IonicContact NE-OD2 3.54Å; R326-D344 PolarHBondContact NE-OD2 3.49Å; R326-D344 IonicContact NH2-OD2 2.88Å; R326-D344 PolarHBondContact NH2-OD2 3.17Å; R326-S347 PolarHBondContact NH2-OG 2.78Å; R326-A360 CarbonylContact C-O 3.56Å; R326-A360 WeakPolarHBondContact CA-O 3.26Å; R326-Y361 HydrophobicContact CB-CD1 4.13Å; R326-Y361 HydrophobicContact CB-CE1 3.87Å; R326-Y361 HydrophobicContact CG-CE1 4.26Å
327	I	91.7	Very high	75.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.3	-179.4	62	162.3	0	0	0	110.8	L291 F293 T294 Y295 Y325 L334 Y359 A360 L362	L291-I327 HydrophobicContact CD2-CD1 4.27Å; F293-I327 HydrophobicContact CB-CB 4.3Å; F293-I327 HydrophobicContact CB-CD1 4.13Å; F293-I327 HydrophobicContact CD2-CB 3.83Å; F293-I327 HydrophobicContact CD2-CD1 4.41Å; F293-I327 HydrophobicContact CD2-CG2 3.38Å; F293-I327 HydrophobicContact CE2-CG2 3.67Å; F293-I327 HydrophobicContact CG-CB 4.39Å; F293-I327 HydrophobicContact CG-CD1 4.27Å; F293-I327 HydrophobicContact CG-CG2 4.28Å; T294-I327 CarbonylContact O-C 3.56Å; T294-I327 VanDerWaalsContact O-CA 3.28Å; T294-I327 WeakPolarHBondContact O-CA 3.33Å; Y295-I327 HydrophobicContact CD1-CG2 3.6Å; Y295-I327 HydrophobicContact CE1-CG2 3.71Å; Y325-I327 PolarHBondContact O-N 2.67Å; I327-L334 HydrophobicContact CD1-CD1 4.18Å; I327-Y359 WeakPolarHBondContact O-CA 3.49Å; I327-A360 HydrophobicContact CG1-CB 4.35Å; I327-A360 WeakPolarHBondContact CG1-O 3.45Å; I327-A360 PolarHBondContact N-O 3.37Å; I327-A360 PolarHBondContact O-N 3.46Å; I327-L362 HydrophobicContact CD1-CB 4.11Å; I327-L362 HydrophobicContact CG1-CB 4.32Å; I327-L362 HydrophobicContact CG2-CB 4.17Å
328	R	89.9	Confident	76.1	Confident	38 Å²	38	40.9 Å²	40.9	14%	0.143	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.1	167.7	-177.9	-177.4	77.2	155.8	9.7	107.9	F293 T294 V296 E352 Y357 Y359	F293-R328 CarbonylContact C-O 3.56Å; F293-R328 VanDerWaalsContact CA-O 3.31Å; F293-R328 WeakPolarHBondContact CA-O 3.39Å; T294-R328 PolarHBondContact N-O 2.98Å; T294-R328 PolarHBondContact O-N 2.83Å; V296-R328 HydrophobicContact CG2-CB 3.59Å; R328-E352 IonicContact CZ-OE2 3.3Å; R328-E352 IonicContact NH1-OE1 2.7Å; R328-E352 IonicContact NH1-OE2 3.24Å; R328-E352 PolarHBondContact NH1-OE2 3.28Å; R328-E352 IonicContact NH2-OE2 2.63Å; R328-Y357 HydrophobicContact CG-CD1 3.9Å; R328-Y357 HydrophobicContact CG-CG 4Å; R328-Y359 HydrophobicContact CB-CD1 4.39Å; R328-Y359 HydrophobicContact CB-CE1 4.21Å; R328-Y359 HydrophobicContact CG-CE1 4.37Å
329	C	86.9	Confident	77.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	168.3	-179.4	59.3	0	0	0	0	110.8	L291 H292 F293 Y357 T358	L291-C329 HydrophobicContact CD1-CB 4.2Å; H292-C329 WeakPolarHBondContact O-CB 3.21Å; F293-C329 HydrophobicContact CB-CB 3.78Å; C329-Y357 WeakPolarHBondContact O-CA 3.34Å; C329-T358 PolarHBondContact N-O 2.95Å; C329-T358 VanDerWaalsContact N-O 3.12Å; C329-T358 PolarHBondContact O-N 3.14Å
330	V	83.4	Confident	78.3	Confident	15 Å²	15	34.4 Å²	34.4	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.8	170.3	178.8	0	0	0	0	108	E332 D333 L334 M355 Y357	V330-E332 VanDerWaalsContact C-N 3.28Å; V330-E332 HydrophobicContact CG1-CB 4.21Å; V330-E332 WeakPolarHBondContact CG1-OE2 3.38Å; V330-E332 PolarHBondContact O-N 3.34Å; V330-D333 HydrophobicContact CB-CB 4.27Å; V330-D333 PolarHBondContact O-N 3.2Å; V330-D333 VanDerWaalsContact O-N 3.14Å; V330-L334 PolarHBondContact O-N 3.16Å; V330-M355 HydrophobicContact CG2-CE 4.09Å; V330-Y357 HydrophobicContact CG2-CD1 4.42Å; V330-Y357 HydrophobicContact CG2-CE1 4.21Å
331	Y	79.4	Confident	79.4	Confident	39 Å²	39	24.6 Å²	24.6	15%	0.153	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-38.2	-173.8	-179.5	-119	0	0	0	112.4	L334 I335 I343 T358	Y331-L334 WeakPolarHBondContact O-CB 3.43Å; Y331-L334 PolarHBondContact O-N 3.46Å; Y331-I335 HydrophobicContact CD1-CD1 3.72Å; Y331-I335 HydrophobicContact CD2-CD1 4.37Å; Y331-I335 HydrophobicContact CE1-CD1 3.25Å; Y331-I335 HydrophobicContact CE1-CG1 4.28Å; Y331-I335 HydrophobicContact CE2-CD1 3.96Å; Y331-I335 HydrophobicContact CE2-CG1 4.11Å; Y331-I335 HydrophobicContact CG-CD1 4.26Å; Y331-I335 WeakPolarHBondContact O-CG1 3.29Å; Y331-I335 PolarHBondContact O-N 3.23Å; Y331-I343 HydrophobicContact CE2-CD1 3.72Å; Y331-I343 HydrophobicContact CE2-CG1 4.49Å; Y331-T358 HydrophobicContact CD2-CG2 4.37Å
332	E	71.7	Confident	80	Confident	47 Å²	47	22.2 Å²	22.2	22%	0.22	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-47.6	174.6	-69.7	71.2	-162.5	0	0	111.8	V330 L334 I335 I336 A674 R677	V330-E332 VanDerWaalsContact C-N 3.28Å; V330-E332 HydrophobicContact CG1-CB 4.21Å; V330-E332 WeakPolarHBondContact CG1-OE2 3.38Å; V330-E332 PolarHBondContact O-N 3.34Å; E332-L334 VanDerWaalsContact C-N 3.29Å; E332-L334 PolarHBondContact O-N 3.41Å; E332-I335 PolarHBondContact O-N 2.87Å; E332-I336 HydrophobicContact CB-CD1 4.44Å; E332-I336 WeakPolarHBondContact O-CB 2.71Å; E332-I336 WeakPolarHBondContact O-CD1 3.31Å; E332-I336 WeakPolarHBondContact O-CG1 3.36Å; E332-I336 PolarHBondContact O-N 3.4Å; E332-A674 HydrophobicContact CB-CB 4.41Å; E332-A674 HydrophobicContact CG-CB 4.31Å; E332-R677 IonicContact OE1-CZ 3.63Å; E332-R677 IonicContact OE1-NE 3.44Å; E332-R677 PolarHBondContact OE1-NE 3.48Å; E332-R677 IonicContact OE1-NH2 3.14Å; E332-R677 PolarHBondContact OE1-NH2 2.77Å
333	D	80.3	Confident	80.4	Confident	30 Å²	30	22.1 Å²	22.1	16%	0.16	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-36.7	179.9	-66.6	-22	0	0	0	110.8	L291 V330 I336 S337	L291-D333 HydrophobicContact CD1-CB 4.01Å; V330-D333 HydrophobicContact CB-CB 4.27Å; V330-D333 PolarHBondContact O-N 3.2Å; V330-D333 VanDerWaalsContact O-N 3.14Å; D333-I336 PolarHBondContact O-N 2.86Å; D333-S337 WeakPolarHBondContact O-CB 3.47Å; D333-S337 PolarHBondContact O-N 3.1Å; D333-S337 PolarHBondContact O-OG 3Å
334	L	79.3	Confident	80.4	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.9	-48.7	175.5	-174	64.1	0	0	0	111.9	L291 I327 V330 Y331 E332 S337 V339 Y341 A360	L291-L334 HydrophobicContact CD1-CB 4.31Å; L291-L334 HydrophobicContact CD1-CD1 4.36Å; L291-L334 HydrophobicContact CD2-CD1 3.95Å; I327-L334 HydrophobicContact CD1-CD1 4.18Å; V330-L334 PolarHBondContact O-N 3.16Å; Y331-L334 WeakPolarHBondContact O-CB 3.43Å; Y331-L334 PolarHBondContact O-N 3.46Å; E332-L334 VanDerWaalsContact C-N 3.29Å; E332-L334 PolarHBondContact O-N 3.41Å; L334-S337 PolarHBondContact O-OG 2.82Å; L334-V339 HydrophobicContact CD1-CG2 3.67Å; L334-Y341 HydrophobicContact CD1-CD1 3.87Å; L334-Y341 HydrophobicContact CD1-CE1 4.48Å; L334-Y341 HydrophobicContact CD1-CG 4.01Å; L334-Y341 HydrophobicContact CD2-CD1 4.06Å; L334-Y341 HydrophobicContact CD2-CD2 3.6Å; L334-Y341 HydrophobicContact CD2-CE1 4.24Å; L334-Y341 HydrophobicContact CD2-CE2 3.78Å; L334-Y341 HydrophobicContact CD2-CG 3.76Å; L334-Y341 HydrophobicContact CG-CD1 3.71Å; L334-Y341 HydrophobicContact CG-CD2 4.2Å; L334-Y341 HydrophobicContact CG-CE1 3.86Å; L334-Y341 HydrophobicContact CG-CE2 4.31Å; L334-Y341 HydrophobicContact CG-CG 3.92Å; L334-A360 HydrophobicContact CD2-CB 3.64Å
335	I	71.1	Confident	80	Confident	18 Å²	18	25.8 Å²	25.8	9%	0.092	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-49.4	178	-66.3	162.7	0	0	0	110.6	Y331 E332 S337 G338 L671 A674	Y331-I335 HydrophobicContact CD1-CD1 3.72Å; Y331-I335 HydrophobicContact CD2-CD1 4.37Å; Y331-I335 HydrophobicContact CE1-CD1 3.25Å; Y331-I335 HydrophobicContact CE1-CG1 4.28Å; Y331-I335 HydrophobicContact CE2-CD1 3.96Å; Y331-I335 HydrophobicContact CE2-CG1 4.11Å; Y331-I335 HydrophobicContact CG-CD1 4.26Å; Y331-I335 WeakPolarHBondContact O-CG1 3.29Å; Y331-I335 PolarHBondContact O-N 3.23Å; E332-I335 PolarHBondContact O-N 2.87Å; I335-S337 VanDerWaalsContact C-N 3.27Å; I335-S337 PolarHBondContact O-N 2.91Å; I335-G338 PolarHBondContact O-N 2.71Å; I335-L671 HydrophobicContact CG2-CB 4.25Å; I335-L671 HydrophobicContact CG2-CD1 3.8Å; I335-A674 HydrophobicContact CD1-CB 4.37Å; I335-A674 HydrophobicContact CG2-CB 4.49Å
336	I	68.8	Low	79.1	Confident	6 Å²	6	28 Å²	28	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-67.9	-29.8	-173.8	-65.4	166.9	0	0	0	111.2	Y289 E332 D333 G338 A674 L675 R678	Y289-I336 HydrophobicContact CD1-CG2 3.18Å; Y289-I336 HydrophobicContact CD2-CG2 3.57Å; Y289-I336 HydrophobicContact CE1-CG2 3.46Å; Y289-I336 VanDerWaalsContact CE1-CG2 3.46Å; Y289-I336 HydrophobicContact CE2-CG2 3.86Å; Y289-I336 HydrophobicContact CG-CG2 3.2Å; E332-I336 HydrophobicContact CB-CD1 4.44Å; E332-I336 WeakPolarHBondContact O-CB 2.71Å; E332-I336 WeakPolarHBondContact O-CD1 3.31Å; E332-I336 WeakPolarHBondContact O-CG1 3.36Å; E332-I336 PolarHBondContact O-N 3.4Å; D333-I336 PolarHBondContact O-N 2.86Å; I336-G338 PolarHBondContact O-N 3.4Å; I336-A674 HydrophobicContact CD1-CB 4.17Å; I336-A674 HydrophobicContact CG1-CB 4.09Å; I336-L675 HydrophobicContact CD1-CD2 4.32Å; I336-L675 HydrophobicContact CG1-CD2 4.15Å; I336-L675 HydrophobicContact CG2-CD2 4.25Å; I336-R678 HydrophobicContact CD1-CB 4.09Å; I336-R678 HydrophobicContact CD1-CG 4.37Å
337	S	71.4	Confident	78.1	Confident	19 Å²	19	28.8 Å²	28.8	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-22.6	176.9	72.8	0	0	0	0	114.1	D333 L334 I335 V339	D333-S337 WeakPolarHBondContact O-CB 3.47Å; D333-S337 PolarHBondContact O-N 3.1Å; D333-S337 PolarHBondContact O-OG 3Å; L334-S337 PolarHBondContact O-OG 2.82Å; I335-S337 VanDerWaalsContact C-N 3.27Å; I335-S337 PolarHBondContact O-N 2.91Å; S337-V339 PolarHBondContact O-N 3.04Å; S337-V339 WeakPolarHBondContact OG-CG2 3.49Å; S337-V339 PolarHBondContact OG-N 3.34Å
338	G	65.4	Low	76.9	Confident	63 Å²	63	33.8 Å²	33.8	65%	0.649	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	10.7	-178.7	0	0	0	0	0	115.1	I335 I336	I335-G338 PolarHBondContact O-N 2.71Å; I336-G338 PolarHBondContact O-N 3.4Å
339	V	73.7	Confident	75.7	Confident	8 Å²	8	33.7 Å²	33.7	5%	0.048	21%	0.209	C	C	.	.			trans	-67.3	155.9	177.7	-58.9	0	0	0	0	111.4	L291 L334 S337 Y341 L362 F399	L291-V339 HydrophobicContact CD2-CG1 4.31Å; L291-V339 HydrophobicContact CD2-CG2 3.86Å; L334-V339 HydrophobicContact CD1-CG2 3.67Å; S337-V339 PolarHBondContact O-N 3.04Å; S337-V339 WeakPolarHBondContact OG-CG2 3.49Å; S337-V339 PolarHBondContact OG-N 3.34Å; V339-Y341 HydrophobicContact CG2-CD1 4.3Å; V339-Y341 VanDerWaalsContact O-CD1 3.26Å; V339-Y341 WeakPolarHBondContact O-CD1 3.2Å; V339-L362 HydrophobicContact CB-CD1 3.8Å; V339-L362 HydrophobicContact CG1-CD1 4.37Å; V339-L362 HydrophobicContact CG2-CD1 3.6Å; V339-F399 HydrophobicContact CG1-CD1 3.99Å; V339-F399 HydrophobicContact CG1-CD2 3.37Å; V339-F399 HydrophobicContact CG1-CE1 3.97Å; V339-F399 HydrophobicContact CG1-CE2 3.37Å; V339-F399 HydrophobicContact CG1-CG 3.7Å; V339-F399 HydrophobicContact CG1-CZ 3.67Å
340	S	74.7	Confident	75	Confident	24 Å²	24	36.6 Å²	36.6	17%	0.168	22%	0.224	C	C	.	.			trans	-77.7	129.6	172.1	-67	0	0	0	0	110.3	L363 P456	S340-L363 PolarHBondContact O-N 2.92Å; S340-P456 WeakPolarHBondContact OG-CA 3.16Å; S340-P456 WeakPolarHBondContact OG-CD 3.49Å
341	Y	83	Confident	74.6	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	169	-178	68.5	-92.3	0	0	0	114.1	L334 V339 I343 A360 Y361 H454	L334-Y341 HydrophobicContact CD1-CD1 3.87Å; L334-Y341 HydrophobicContact CD1-CE1 4.48Å; L334-Y341 HydrophobicContact CD1-CG 4.01Å; L334-Y341 HydrophobicContact CD2-CD1 4.06Å; L334-Y341 HydrophobicContact CD2-CD2 3.6Å; L334-Y341 HydrophobicContact CD2-CE1 4.24Å; L334-Y341 HydrophobicContact CD2-CE2 3.78Å; L334-Y341 HydrophobicContact CD2-CG 3.76Å; L334-Y341 HydrophobicContact CG-CD1 3.71Å; L334-Y341 HydrophobicContact CG-CD2 4.2Å; L334-Y341 HydrophobicContact CG-CE1 3.86Å; L334-Y341 HydrophobicContact CG-CE2 4.31Å; L334-Y341 HydrophobicContact CG-CG 3.92Å; V339-Y341 HydrophobicContact CG2-CD1 4.3Å; V339-Y341 VanDerWaalsContact O-CD1 3.26Å; V339-Y341 WeakPolarHBondContact O-CD1 3.2Å; Y341-I343 HydrophobicContact CD2-CG1 4.2Å; Y341-I343 HydrophobicContact CE2-CD1 4.42Å; Y341-I343 HydrophobicContact CE2-CG1 3.84Å; Y341-A360 HydrophobicContact CD2-CB 4.39Å; Y341-Y361 CarbonylContact C-O 3.58Å; Y341-Y361 WeakPolarHBondContact CA-O 3.28Å; Y341-Y361 WeakPolarHBondContact CB-O 3.48Å; Y341-H454 HydrophobicContact CD1-CB 4.12Å; Y341-H454 HydrophobicContact CE1-CB 3.93Å; Y341-H454 AromaticContact CE1-CD2 3.99Å; Y341-H454 AromaticContact CZ-CD2 3.8Å; Y341-H454 PolarHBondContact N-O 3.32Å; Y341-H454 CarbonylContact O-C 3.54Å; Y341-H454 PolarHBondContact OH-CD2 3.4Å
342	R	80.9	Confident	74	Confident	36 Å²	36	42.1 Å²	42.1	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125	167	-70.4	-81.8	-175.4	-82.1	3.4	108.9	Y314 M316 D344 A360 Y361 L363 H454	Y314-R342 HydrophobicContact CD1-CG 4.2Å; Y314-R342 HydrophobicContact CE1-CB 4.16Å; Y314-R342 HydrophobicContact CE1-CG 3.75Å; M316-R342 PolarHBondContact SD-NH2 3.48Å; R342-D344 PolarHBondContact O-N 2.88Å; R342-A360 CarbonylContact O-C 3.53Å; R342-A360 WeakPolarHBondContact O-CA 3.41Å; R342-Y361 PolarHBondContact N-O 3.01Å; R342-Y361 PolarHBondContact O-N 3.4Å; R342-L363 HydrophobicContact CG-CD1 3.69Å; R342-L363 HydrophobicContact CG-CG 4.3Å; R342-H454 PolarHBondContact NH1-O 3.17Å
343	I	83	Confident	73.7	Confident	24 Å²	24	47.8 Å²	47.8	12%	0.123	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.5	175.2	-58.1	176.5	0	0	0	109.2	Y331 Y341 W345 T358	Y331-I343 HydrophobicContact CE2-CD1 3.72Å; Y331-I343 HydrophobicContact CE2-CG1 4.49Å; Y341-I343 HydrophobicContact CD2-CG1 4.2Å; Y341-I343 HydrophobicContact CE2-CD1 4.42Å; Y341-I343 HydrophobicContact CE2-CG1 3.84Å; I343-W345 HydrophobicContact CB-CZ2 4.1Å; I343-W345 HydrophobicContact CD1-CH2 4.34Å; I343-W345 HydrophobicContact CD1-CZ2 3.9Å; I343-W345 HydrophobicContact CG2-CD2 3.87Å; I343-W345 HydrophobicContact CG2-CE3 4.2Å; I343-W345 HydrophobicContact CG2-CG 4.44Å; I343-W345 HydrophobicContact CG2-CH2 4.07Å; I343-W345 HydrophobicContact CG2-CZ2 3.71Å; I343-W345 HydrophobicContact CG2-CZ3 4.3Å; I343-T358 HydrophobicContact CG2-CG2 4.11Å
344	D	83.5	Confident	73	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.043	32%	0.315	C	S	.	.			trans	-98.2	99.2	174.7	-174.7	8.4	0	0	0	110.7	R326 R342 S346 Y359 Y361	R326-D344 IonicContact CZ-OD2 3.2Å; R326-D344 IonicContact NE-OD2 3.54Å; R326-D344 PolarHBondContact NE-OD2 3.49Å; R326-D344 IonicContact NH2-OD2 2.88Å; R326-D344 PolarHBondContact NH2-OD2 3.17Å; R342-D344 PolarHBondContact O-N 2.88Å; D344-S346 PolarHBondContact O-N 3.01Å; D344-S346 VanDerWaalsContact OD1-CB 3.31Å; D344-S346 WeakPolarHBondContact OD1-CB 3.38Å; D344-S346 PolarHBondContact OD1-N 2.81Å; D344-S346 PolarHBondContact OD1-OG 2.7Å; D344-S346 PolarHBondContact OD2-OG 2.77Å; D344-Y359 PolarHBondContact N-O 3.03Å; D344-Y361 HydrophobicContact CB-CD2 3.95Å; D344-Y361 HydrophobicContact CB-CE2 3.58Å; D344-Y361 PolarHBondContact OD2-OH 2.99Å
345	W	77.7	Confident	72.3	Confident	114 Å²	114	54.2 Å²	54.2	43%	0.432	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.7	179.1	-58.3	106.6	0	0	0	113.9	I343 S347 Q448 P449 S451	I343-W345 HydrophobicContact CB-CZ2 4.1Å; I343-W345 HydrophobicContact CD1-CH2 4.34Å; I343-W345 HydrophobicContact CD1-CZ2 3.9Å; I343-W345 HydrophobicContact CG2-CD2 3.87Å; I343-W345 HydrophobicContact CG2-CE3 4.2Å; I343-W345 HydrophobicContact CG2-CG 4.44Å; I343-W345 HydrophobicContact CG2-CH2 4.07Å; I343-W345 HydrophobicContact CG2-CZ2 3.71Å; I343-W345 HydrophobicContact CG2-CZ3 4.3Å; W345-S347 PolarHBondContact O-N 3.1Å; W345-Q448 HydrophobicContact CZ3-CB 4.47Å; W345-P449 VanDerWaalsContact CH2-O 3.3Å; W345-P449 WeakPolarHBondContact CH2-O 3.4Å; W345-S451 PolarHBondContact NE1-OG 3.45Å; W345-S451 VanDerWaalsContact NE1-OG 3.13Å
346	S	74	Confident	72.5	Confident	91 Å²	91	57 Å²	57	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.4	-179.5	68.1	0	0	0	0	113.1	D344	D344-S346 PolarHBondContact O-N 3.01Å; D344-S346 VanDerWaalsContact OD1-CB 3.31Å; D344-S346 WeakPolarHBondContact OD1-CB 3.38Å; D344-S346 PolarHBondContact OD1-N 2.81Å; D344-S346 PolarHBondContact OD1-OG 2.7Å; D344-S346 PolarHBondContact OD2-OG 2.77Å
347	S	69.5	Low	73.2	Confident	20 Å²	20	58.6 Å²	58.6	14%	0.14	36%	0.361	C	S	.	.	S	Bend	trans	-126.9	127.6	177.4	-69.9	0	0	0	0	111.1	N300 R326 W345	N300-S347 PolarHBondContact ND2-OG 3.19Å; N300-S347 PolarHBondContact OD1-OG 2.59Å; R326-S347 PolarHBondContact NH2-OG 2.78Å; W345-S347 PolarHBondContact O-N 3.1Å
348	S	68.2	Low	73.8	Confident	105 Å²	105	59.2 Å²	59.2	73%	0.734	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-59.6	137.8	175	-56	0	0	0	0	109.9	Y359	S348-Y359 WeakPolarHBondContact O-CE2 3.41Å
349	G	64.8	Low	74.9	Confident	37 Å²	37	56.8 Å²	56.8	38%	0.381	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-54.4	142.7	174.2	0	0	0	0	0	111.2	Y357	G349-Y357 CarbonylContact C-O 3.57Å; G349-Y357 WeakPolarHBondContact CA-O 3.48Å
350	L	71.7	Confident	75.6	Confident	60 Å²	60	56.4 Å²	56.4	31%	0.314	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126	-178.8	-171.6	77.2	0	0	0	108.6	E352 Y357	L350-E352 VanDerWaalsContact CD2-CD 3.4Å; L350-E352 HydrophobicContact CD2-CG 3.8Å; L350-E352 VanDerWaalsContact CD2-OE1 3.27Å; L350-E352 WeakPolarHBondContact CD2-OE1 3.29Å; L350-E352 HydrophobicContact CG-CG 4.03Å; L350-Y357 PolarHBondContact N-O 2.96Å; L350-Y357 VanDerWaalsContact N-O 3.12Å; L350-Y357 WeakPolarHBondContact O-CB 3.42Å; L350-Y357 WeakPolarHBondContact O-CD2 3.39Å; L350-Y357 PolarHBondContact O-N 2.96Å
351	T	73.6	Confident	76.3	Confident	91 Å²	91	55.5 Å²	55.5	56%	0.558	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.5	173.4	-52.8	0	0	0	0	109.2	M355	T351-M355 WeakPolarHBondContact CA-O 3.49Å
352	E	67.8	Low	76.6	Confident	80 Å²	80	55.3 Å²	55.3	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.1	175.4	-75	178.8	164.4	0	0	108.7	R328 L350 G354 M355 Y357	R328-E352 IonicContact CZ-OE2 3.3Å; R328-E352 IonicContact NH1-OE1 2.7Å; R328-E352 IonicContact NH1-OE2 3.24Å; R328-E352 PolarHBondContact NH1-OE2 3.28Å; R328-E352 IonicContact NH2-OE2 2.63Å; L350-E352 VanDerWaalsContact CD2-CD 3.4Å; L350-E352 HydrophobicContact CD2-CG 3.8Å; L350-E352 VanDerWaalsContact CD2-OE1 3.27Å; L350-E352 WeakPolarHBondContact CD2-OE1 3.29Å; L350-E352 HydrophobicContact CG-CG 4.03Å; E352-G354 PolarHBondContact O-N 2.98Å; E352-M355 PolarHBondContact N-O 3.34Å; E352-M355 PolarHBondContact O-N 3.45Å; E352-Y357 HydrophobicContact CB-CD2 4.4Å; E352-Y357 HydrophobicContact CB-CE2 4Å
353	N	64.3	Low	76.7	Confident	166 Å²	166	53.9 Å²	53.9	89%	0.888	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	34.4	178.5	-58.9	-19.3	0	0	0	114.8	M355	N353-M355 PolarHBondContact O-N 2.93Å
354	G	65.7	Low	76.4	Confident	70 Å²	70	54 Å²	54	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-2.3	-177.9	0	0	0	0	0	114.7	E352	E352-G354 PolarHBondContact O-N 2.98Å
355	M	66.2	Low	75.8	Confident	94 Å²	94	58 Å²	58	46%	0.463	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.4	174.9	-62.3	-64.6	-93.8	0	0	109.5	V330 T351 E352 N353 Y357	V330-M355 HydrophobicContact CG2-CE 4.09Å; T351-M355 WeakPolarHBondContact CA-O 3.49Å; E352-M355 PolarHBondContact N-O 3.34Å; E352-M355 PolarHBondContact O-N 3.45Å; N353-M355 PolarHBondContact O-N 2.93Å; M355-Y357 HydrophobicContact CB-CE2 4.03Å
356	T	74.4	Confident	75.5	Confident	77 Å²	77	56.5 Å²	56.5	47%	0.472	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.9	176.6	-57.7	0	0	0	0	109.4
357	Y	83.3	Confident	75.7	Confident	40 Å²	40	52.3 Å²	52.3	16%	0.157	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	140.3	177.7	-65.9	-90.2	0	0	0	110.7	R328 C329 V330 G349 L350 E352 M355	R328-Y357 HydrophobicContact CG-CD1 3.9Å; R328-Y357 HydrophobicContact CG-CG 4Å; C329-Y357 WeakPolarHBondContact O-CA 3.34Å; V330-Y357 HydrophobicContact CG2-CD1 4.42Å; V330-Y357 HydrophobicContact CG2-CE1 4.21Å; G349-Y357 CarbonylContact C-O 3.57Å; G349-Y357 WeakPolarHBondContact CA-O 3.48Å; L350-Y357 PolarHBondContact N-O 2.96Å; L350-Y357 VanDerWaalsContact N-O 3.12Å; L350-Y357 WeakPolarHBondContact O-CB 3.42Å; L350-Y357 WeakPolarHBondContact O-CD2 3.39Å; L350-Y357 PolarHBondContact O-N 2.96Å; E352-Y357 HydrophobicContact CB-CD2 4.4Å; E352-Y357 HydrophobicContact CB-CE2 4Å; M355-Y357 HydrophobicContact CB-CE2 4.03Å
358	T	84.4	Confident	76.2	Confident	31 Å²	31	52.3 Å²	52.3	19%	0.19	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.6	174	-65.9	0	0	0	0	109.8	C329 Y331 I343	C329-T358 PolarHBondContact N-O 2.95Å; C329-T358 VanDerWaalsContact N-O 3.12Å; C329-T358 PolarHBondContact O-N 3.14Å; Y331-T358 HydrophobicContact CD2-CG2 4.37Å; I343-T358 HydrophobicContact CG2-CG2 4.11Å
359	Y	88.4	Confident	76.9	Confident	12 Å²	12	53 Å²	53	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.4	172.5	-64.5	-86.7	0	0	0	109.8	V296 I327 R328 D344 S348	V296-Y359 HydrophobicContact CB-CE1 4.5Å; V296-Y359 HydrophobicContact CG1-CD1 4.44Å; V296-Y359 HydrophobicContact CG1-CE1 3.97Å; V296-Y359 HydrophobicContact CG2-CD1 4.18Å; V296-Y359 HydrophobicContact CG2-CE1 4Å; I327-Y359 WeakPolarHBondContact O-CA 3.49Å; R328-Y359 HydrophobicContact CB-CD1 4.39Å; R328-Y359 HydrophobicContact CB-CE1 4.21Å; R328-Y359 HydrophobicContact CG-CE1 4.37Å; D344-Y359 PolarHBondContact N-O 3.03Å; S348-Y359 WeakPolarHBondContact O-CE2 3.41Å
360	A	88.6	Confident	77.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.2	176.2	0	0	0	0	0	110.7	R326 I327 L334 Y341 R342	R326-A360 CarbonylContact C-O 3.56Å; R326-A360 WeakPolarHBondContact CA-O 3.26Å; I327-A360 HydrophobicContact CG1-CB 4.35Å; I327-A360 WeakPolarHBondContact CG1-O 3.45Å; I327-A360 PolarHBondContact N-O 3.37Å; I327-A360 PolarHBondContact O-N 3.46Å; L334-A360 HydrophobicContact CD2-CB 3.64Å; Y341-A360 HydrophobicContact CD2-CB 4.39Å; R342-A360 CarbonylContact O-C 3.53Å; R342-A360 WeakPolarHBondContact O-CA 3.41Å
361	Y	89.6	Confident	78.3	Confident	5 Å²	5	53.2 Å²	53.2	2%	0.02	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.5	166.8	-67.6	-91.5	0	0	0	109	H310 R312 Y314 Y325 R326 Y341 R342 D344 L363	H310-Y361 PolarHBondContact CE1-OH 3.34Å; H310-Y361 AromaticContact ND1-CE1 3.5Å; H310-Y361 WeakPolarHBondContact ND1-CE1 3.46Å; H310-Y361 AromaticContact ND1-CZ 3.57Å; H310-Y361 PolarHBondContact ND1-OH 3.29Å; R312-Y361 HydrophobicContact CB-CD1 3.9Å; R312-Y361 HydrophobicContact CB-CE1 3.56Å; Y314-Y361 HydrophobicContact CE2-CD1 4.44Å; Y314-Y361 HydrophobicContact CE2-CG 4.13Å; Y314-Y361 WeakPolarHBondContact OH-CD2 3.24Å; Y325-Y361 CarbonylContact O-C 3.45Å; Y325-Y361 WeakPolarHBondContact O-CA 3.44Å; R326-Y361 HydrophobicContact CB-CD1 4.13Å; R326-Y361 HydrophobicContact CB-CE1 3.87Å; R326-Y361 HydrophobicContact CG-CE1 4.26Å; Y341-Y361 CarbonylContact C-O 3.58Å; Y341-Y361 WeakPolarHBondContact CA-O 3.28Å; Y341-Y361 WeakPolarHBondContact CB-O 3.48Å; R342-Y361 PolarHBondContact N-O 3.01Å; R342-Y361 PolarHBondContact O-N 3.4Å; D344-Y361 HydrophobicContact CB-CD2 3.95Å; D344-Y361 HydrophobicContact CB-CE2 3.58Å; D344-Y361 PolarHBondContact OD2-OH 2.99Å; Y361-L363 PolarHBondContact O-N 3.22Å
362	L	89.2	Confident	78.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	115.6	172.1	-176.1	61.8	0	0	0	109	F293 G324 Y325 I327 V339 D364 A367 F399	F293-L362 HydrophobicContact CE2-CD2 4.5Å; F293-L362 HydrophobicContact CZ-CD2 4.14Å; G324-L362 WeakPolarHBondContact CA-O 3.28Å; Y325-L362 PolarHBondContact N-O 2.91Å; Y325-L362 VanDerWaalsContact N-O 3.08Å; Y325-L362 PolarHBondContact O-N 3.37Å; I327-L362 HydrophobicContact CD1-CB 4.11Å; I327-L362 HydrophobicContact CG1-CB 4.32Å; I327-L362 HydrophobicContact CG2-CB 4.17Å; V339-L362 HydrophobicContact CB-CD1 3.8Å; V339-L362 HydrophobicContact CG1-CD1 4.37Å; V339-L362 HydrophobicContact CG2-CD1 3.6Å; L362-D364 VanDerWaalsContact C-N 3.34Å; L362-D364 HydrophobicContact CD1-CB 4.25Å; L362-D364 HydrophobicContact CG-CB 4.19Å; L362-D364 PolarHBondContact O-N 3.46Å; L362-A367 HydrophobicContact CD2-CB 3.47Å; L362-A367 VanDerWaalsContact CD2-CB 3.47Å; L362-A367 HydrophobicContact CG-CB 4.14Å; L362-F399 HydrophobicContact CD2-CZ 4.35Å
363	L	83.9	Confident	78.5	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.037	27%	0.272	C	S	.	.			trans	-97.8	42.7	-178.7	-56.9	-176.1	0	0	0	111.6	Y314 L322 S340 R342 Y361	Y314-L363 HydrophobicContact CD2-CD2 3.44Å; Y314-L363 VanDerWaalsContact CD2-CD2 3.44Å; Y314-L363 HydrophobicContact CE2-CD2 3.63Å; Y314-L363 HydrophobicContact CG-CD2 4.21Å; L322-L363 HydrophobicContact CD2-CB 4.5Å; S340-L363 PolarHBondContact O-N 2.92Å; R342-L363 HydrophobicContact CG-CD1 3.69Å; R342-L363 HydrophobicContact CG-CG 4.3Å; Y361-L363 PolarHBondContact O-N 3.22Å
364	D	74.7	Confident	78.1	Confident	27 Å²	27	43.9 Å²	43.9	14%	0.144	26%	0.262	C	S	.	.			trans	-110.7	118.8	179.7	-165.5	-27.4	0	0	0	111	L362 N366 A367 F399	L362-D364 VanDerWaalsContact C-N 3.34Å; L362-D364 HydrophobicContact CD1-CB 4.25Å; L362-D364 HydrophobicContact CG-CB 4.19Å; L362-D364 PolarHBondContact O-N 3.46Å; D364-N366 PolarHBondContact O-N 2.85Å; D364-N366 WeakPolarHBondContact OD1-CA 3.37Å; D364-N366 WeakPolarHBondContact OD1-CB 3.36Å; D364-N366 PolarHBondContact OD1-N 2.92Å; D364-A367 HydrophobicContact CB-CB 4.3Å; D364-A367 WeakPolarHBondContact O-CB 3.43Å; D364-A367 PolarHBondContact O-N 3.24Å; D364-A367 VanDerWaalsContact O-N 3.1Å; D364-F399 HydrophobicContact CB-CE1 4.26Å; D364-F399 WeakPolarHBondContact OD2-CD1 3.33Å; D364-F399 WeakPolarHBondContact OD2-CE1 3.39Å
365	P	72.4	Confident	77.6	Confident	91 Å²	91	42 Å²	42	59%	0.591	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-34.5	172.5	-23.4	32.5	0	0	0	113.2	K306	K306-P365 PolarHBondContact NZ-O 3.48Å
366	N	71.8	Confident	76.6	Confident	82 Å²	82	43.6 Å²	43.6	44%	0.439	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	12.7	-177.1	-59.1	-38.5	0	0	0	113.4	D364 I402	D364-N366 PolarHBondContact O-N 2.85Å; D364-N366 WeakPolarHBondContact OD1-CA 3.37Å; D364-N366 WeakPolarHBondContact OD1-CB 3.36Å; D364-N366 PolarHBondContact OD1-N 2.92Å; N366-I402 WeakPolarHBondContact ND2-CG1 3.43Å
367	A	76.9	Confident	74.6	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.033	26%	0.259	C	S	.	.			trans	-52.6	134	176.5	0	0	0	0	0	111.1	K306 L362 D364	K306-A367 HydrophobicContact CD-CB 4.36Å; K306-A367 WeakPolarHBondContact CD-O 3.47Å; K306-A367 PolarHBondContact NZ-O 2.92Å; L362-A367 HydrophobicContact CD2-CB 3.47Å; L362-A367 VanDerWaalsContact CD2-CB 3.47Å; L362-A367 HydrophobicContact CG-CB 4.14Å; D364-A367 HydrophobicContact CB-CB 4.3Å; D364-A367 WeakPolarHBondContact O-CB 3.43Å; D364-A367 PolarHBondContact O-N 3.24Å; D364-A367 VanDerWaalsContact O-N 3.1Å
368	P	81.1	Confident	72.2	Confident	19 Å²	19	48.6 Å²	48.6	12%	0.123	29%	0.287	C	S	.	.			trans	-64.1	149	-172.1	26.8	-35	0	0	0	111.6	F293 Y295 L370 F397	F293-P368 HydrophobicContact CE1-CG 3.99Å; F293-P368 HydrophobicContact CZ-CG 3.62Å; Y295-P368 WeakPolarHBondContact CE2-O 3.37Å; Y295-P368 PolarHBondContact OH-O 3.43Å; P368-L370 PolarHBondContact O-N 3.5Å; P368-F397 HydrophobicContact CB-CD2 4.34Å; P368-F397 HydrophobicContact CB-CG 4.3Å; P368-F397 HydrophobicContact CG-CB 4.43Å; P368-F397 HydrophobicContact CG-CD1 4.39Å; P368-F397 HydrophobicContact CG-CG 4.32Å
369	N	82	Confident	69.6	Low	119 Å²	119	56.5 Å²	56.5	64%	0.636	32%	0.318	S	S	*	.	S	Bend	trans	-67.9	-26.1	-178.2	-73.8	-23.2	0	0	0	113.2	L305 K306	L305-N369 CarbonylContact C-O 3.57Å; L305-N369 WeakPolarHBondContact CA-O 3.33Å; K306-N369 PolarHBondContact N-O 2.89Å
370	L	83.2	Confident	66.7	Low	94 Å²	94	60.9 Å²	60.9	49%	0.492	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-110.7	149.8	178.9	-75.1	152.1	0	0	0	110.2	H304 L305 P368	H304-L370 HydrophobicContact CB-CD2 4.37Å; H304-L370 CarbonylContact O-C 3.48Å; H304-L370 VanDerWaalsContact O-CA 3.29Å; H304-L370 WeakPolarHBondContact O-CA 3.39Å; L305-L370 HydrophobicContact CD2-CD2 4.31Å; P368-L370 PolarHBondContact O-N 3.5Å
371	C	83	Confident	63.8	Low	9 Å²	9	68.3 Å²	68.3	6%	0.061	39%	0.389	C	S	.	.			trans	-67.3	151.2	168.8	60.7	0	0	0	0	111.9	F293 T294 Y295 H304 N373	F293-C371 WeakPolarHBondContact O-CB 3.35Å; T294-C371 HydrophobicContact CG2-CB 4.46Å; Y295-C371 HydrophobicContact CD2-CB 4.19Å; H304-C371 PolarHBondContact O-N 3.4Å; C371-N373 PolarHBondContact SG-O 3.36Å
372	T	77	Confident	61	Low	8 Å²	8	75.3 Å²	75.3	5%	0.049	43%	0.427	C	S	.	.	S	Bend	trans	-86.9	-21.5	179.5	48.1	0	0	0	0	112.7	L291 H292 F293 F397	L291-T372 PolarHBondContact O-OG1 3.42Å; H292-T372 WeakPolarHBondContact CA-OG1 3.41Å; F293-T372 HydrophobicContact CD1-CG2 4.41Å; F293-T372 WeakPolarHBondContact CD1-OG1 3.46Å; F293-T372 HydrophobicContact CE1-CG2 4.12Å; F293-T372 PolarHBondContact N-OG1 3.37Å; F293-T372 PolarHBondContact O-N 3.48Å; F293-T372 VanDerWaalsContact O-N 3.07Å; F293-T372 PolarHBondContact O-OG1 2.85Å; T372-F397 HydrophobicContact CG2-CB 4.22Å
373	N	67.7	Low	58.2	Low	28 Å²	28	81.5 Å²	81.5	15%	0.15	47%	0.465	C	S	.	.	S	Bend	trans	-88.4	135.6	174.1	-72.7	-24.1	0	0	0	112.5	H292 F293 T294 C371	H292-N373 WeakPolarHBondContact CB-OD1 3.5Å; F293-N373 PolarHBondContact N-ND2 3.42Å; F293-N373 PolarHBondContact O-N 3.38Å; F293-N373 VanDerWaalsContact O-N 3.12Å; T294-N373 WeakPolarHBondContact OG1-CB 3.24Å; C371-N373 PolarHBondContact SG-O 3.36Å
374	P	56.9	Low	55.7	Low	105 Å²	105	87.3 Å²	87.3	68%	0.682	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-66.5	133.4	169.8	25.5	-30.4	0	0	0	111.1
375	I	56	Low	53.5	Low	30 Å²	30	91.7 Å²	91.7	15%	0.154	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-94.4	117.7	174.7	-56.5	175.8	0	0	0	107.9	T294 P302 S377	T294-I375 HydrophobicContact CG2-CD1 3.73Å; T294-I375 HydrophobicContact CG2-CG1 3.78Å; P302-I375 HydrophobicContact CB-CD1 3.89Å; P302-I375 HydrophobicContact CB-CG1 4.27Å; P302-I375 HydrophobicContact CB-CG2 4.25Å; P302-I375 HydrophobicContact CG-CG2 4.02Å; I375-S377 VanDerWaalsContact C-N 3.34Å; I375-S377 PolarHBondContact O-N 2.87Å
376	S	43.5	Very low	51.5	Low	127 Å²	127	93.5 Å²	93.5	89%	0.888	55%	0.548	S	S	*	.			trans	-86.3	11.2	-174.5	36.3	0	0	0	0	115.2
377	S	33.7	Very low	49.3	Very low	79 Å²	79	95.4 Å²	95.4	55%	0.552	57%	0.568	S	S	*	*			trans	-157.2	98.1	-174.4	54	0	0	0	0	113.2	I375	I375-S377 VanDerWaalsContact C-N 3.34Å; I375-S377 PolarHBondContact O-N 2.87Å
378	I	33.2	Very low	47	Very low	143 Å²	143	99.9 Å²	99.9	73%	0.733	61%	0.605	S	S	*	*			trans	-163.5	115.7	140.6	-86.9	139.2	0	0	0	106.7
379	K	28.7	Very low	44.5	Very low	197 Å²	197	107.6 Å²	107.6	86%	0.857	64%	0.642	S	S	*	*			trans	-76.3	119.3	164	-75.5	178.4	176.8	177.2	0	107.6
380	S	27.2	Very low	41.7	Very low	104 Å²	104	110.6 Å²	110.6	73%	0.727	66%	0.657	S	S	*	*			trans	9.9	113.6	148.8	54.9	0	0	0	0	118
381	I	28.5	Very low	39.1	Very low	156 Å²	156	111.7 Å²	111.7	80%	0.8	67%	0.667	S	S	*	*			trans	-171.6	98.7	141.9	-80.4	136.4	0	0	0	101.5
382	D	31.4	Very low	36.4	Very low	153 Å²	153	118.6 Å²	118.6	82%	0.818	71%	0.709	S	S	*	*				-146.5	136	74.9	-79.6	-44.5	0	0	0	113.1
383	T	28.8	Very low	34	Very low	130 Å²	130	122.2 Å²	122.2	80%	0.798	74%	0.735	S	S	*	*			trans	-70.3	121.5	169.3	37.3	0	0	0	0	111.8
384	T	31.9	Very low	32.4	Very low	129 Å²	129	125.2 Å²	125.2	79%	0.791	76%	0.758	S	S	*	*				-168.7	114.3	120.8	41.9	0	0	0	0	110.6
385	S	28	Very low	31.2	Very low	118 Å²	118	124.6 Å²	124.6	83%	0.825	75%	0.752	S	S	*	*	S	Bend	trans	69.5	80.5	142.4	-39.7	0	0	0	0	119.4
386	S	30.5	Very low	30	Very low	129 Å²	129	126 Å²	126	90%	0.902	76%	0.763	S	S	*	*				168.5	134.5	107.3	-154.8	0	0	0	0	111
387	S	25.3	Very low	29.8	Very low	123 Å²	123	123.6 Å²	123.6	86%	0.86	74%	0.737	S	S	*	*			trans	-77.3	123.3	-170.8	-169.5	0	0	0	0	112.1
388	A	29.7	Very low	29.9	Very low	97 Å²	97	122.2 Å²	122.2	80%	0.802	73%	0.725	S	S	*	*			trans	-160.9	138.7	153.7	0	0	0	0	0	111.1
389	M	27.7	Very low	30.1	Very low	182 Å²	182	117.3 Å²	117.3	90%	0.897	70%	0.698	S	S	*	*			trans	-60.8	139.1	-160.1	-66.5	179.7	151.8	0	0	116.8	T391	M389-T391 PolarHBondContact O-N 3.43Å
390	L	24.6	Very low	30.3	Very low	182 Å²	182	115.9 Å²	115.9	95%	0.953	69%	0.692	S	S	*	*			trans	-70.9	108.2	164.8	-77.5	149.9	0	0	0	110
391	T	27.4	Very low	30.4	Very low	116 Å²	116	115.8 Å²	115.8	71%	0.712	69%	0.689	S	S	*	*			trans	-110.2	117.5	161.9	40.5	0	0	0	0	109.4	M389 S393	M389-T391 PolarHBondContact O-N 3.43Å; T391-S393 PolarHBondContact O-N 3.37Å; T391-S393 PolarHBondContact O-OG 3.23Å
392	T	26.7	Very low	30.4	Very low	154 Å²	154	112.9 Å²	112.9	95%	0.945	67%	0.674	S	S	*	*			trans	-57.5	98.1	173	45.9	0	0	0	0	110.5
393	S	27.4	Very low	30.3	Very low	84 Å²	84	110.4 Å²	110.4	59%	0.587	67%	0.669	S	S	*	*			trans	-142.7	109.1	168.6	45.1	0	0	0	0	108.6	T391 T395	T391-S393 PolarHBondContact O-N 3.37Å; T391-S393 PolarHBondContact O-OG 3.23Å; S393-T395 PolarHBondContact O-N 2.93Å; S393-T395 VanDerWaalsContact O-N 3.09Å
394	S	32.3	Very low	30.3	Very low	91 Å²	91	111.7 Å²	111.7	64%	0.636	66%	0.663	S	S	*	*			trans	-58.1	112.3	171.6	-66.3	0	0	0	0	108.1	T396	S394-T396 PolarHBondContact O-N 2.71Å
395	T	33.2	Very low	30.2	Very low	92 Å²	92	112.1 Å²	112.1	56%	0.564	67%	0.665	S	S	*	*			trans	-89.1	99.8	-179.7	35.2	0	0	0	0	108.6	S393	S393-T395 PolarHBondContact O-N 2.93Å; S393-T395 VanDerWaalsContact O-N 3.09Å
396	T	31.3	Very low	30.1	Very low	61 Å²	61	113 Å²	113	37%	0.374	66%	0.661	S	S	.	*			trans	-84.3	136.5	178.1	-28.5	0	0	0	0	111.4	E290 S394	E290-T396 HydrophobicContact CB-CG2 3.55Å; E290-T396 HydrophobicContact CG-CG2 3.61Å; E290-T396 WeakPolarHBondContact OE1-CB 3.45Å; E290-T396 WeakPolarHBondContact OE1-CG2 3.3Å; E290-T396 WeakPolarHBondContact OE2-CG2 3.42Å; S394-T396 PolarHBondContact O-N 2.71Å
397	F	38.5	Very low	30.1	Very low	76 Å²	76	114.8 Å²	114.8	33%	0.333	66%	0.66	S	S	.	*			trans	-117.1	130.7	-177.5	-168.9	-95.8	0	0	0	111.2	P368 T372 F399	P368-F397 HydrophobicContact CB-CD2 4.34Å; P368-F397 HydrophobicContact CB-CG 4.3Å; P368-F397 HydrophobicContact CG-CB 4.43Å; P368-F397 HydrophobicContact CG-CD1 4.39Å; P368-F397 HydrophobicContact CG-CG 4.32Å; T372-F397 HydrophobicContact CG2-CB 4.22Å; F397-F399 HydrophobicContact CD1-CD1 4.37Å; F397-F399 HydrophobicContact CD1-CD2 4.38Å; F397-F399 HydrophobicContact CD1-CE1 4.34Å; F397-F399 HydrophobicContact CD1-CE2 4.31Å; F397-F399 HydrophobicContact CD1-CG 4.41Å; F397-F399 HydrophobicContact CD1-CZ 4.31Å; F397-F399 HydrophobicContact CE1-CD1 4Å; F397-F399 HydrophobicContact CE1-CE1 4.15Å; F397-F399 HydrophobicContact CE1-CG 4.32Å
398	T	36.4	Very low	30.1	Very low	49 Å²	49	114 Å²	114	30%	0.301	66%	0.655	S	S	.	*			trans	-109.1	119.8	177.9	40	0	0	0	0	109.7	S288 E290 K400	S288-T398 WeakPolarHBondContact OG-CB 3.25Å; S288-T398 WeakPolarHBondContact OG-CG2 3.13Å; E290-T398 HydrophobicContact CG-CG2 3.71Å; T398-K400 PolarHBondContact O-N 3.27Å
399	F	35.7	Very low	30.1	Very low	40 Å²	40	116 Å²	116	18%	0.175	66%	0.657	C	S	.	*	P	Polyproline II helix	trans	-70.7	123.5	-178.3	-72.2	-87.2	0	0	0	110.7	L291 V339 L362 D364 F397	L291-F399 HydrophobicContact CB-CE2 4.15Å; L291-F399 HydrophobicContact CD2-CE2 4.42Å; V339-F399 HydrophobicContact CG1-CD1 3.99Å; V339-F399 HydrophobicContact CG1-CD2 3.37Å; V339-F399 HydrophobicContact CG1-CE1 3.97Å; V339-F399 HydrophobicContact CG1-CE2 3.37Å; V339-F399 HydrophobicContact CG1-CG 3.7Å; V339-F399 HydrophobicContact CG1-CZ 3.67Å; L362-F399 HydrophobicContact CD2-CZ 4.35Å; D364-F399 HydrophobicContact CB-CE1 4.26Å; D364-F399 WeakPolarHBondContact OD2-CD1 3.33Å; D364-F399 WeakPolarHBondContact OD2-CE1 3.39Å; F397-F399 HydrophobicContact CD1-CD1 4.37Å; F397-F399 HydrophobicContact CD1-CD2 4.38Å; F397-F399 HydrophobicContact CD1-CE1 4.34Å; F397-F399 HydrophobicContact CD1-CE2 4.31Å; F397-F399 HydrophobicContact CD1-CG 4.41Å; F397-F399 HydrophobicContact CD1-CZ 4.31Å; F397-F399 HydrophobicContact CE1-CD1 4Å; F397-F399 HydrophobicContact CE1-CE1 4.15Å; F397-F399 HydrophobicContact CE1-CG 4.32Å
400	K	33.8	Very low	30	Very low	167 Å²	167	114.2 Å²	114.2	73%	0.726	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-103.1	141.2	175.1	-68.7	-175.4	179.2	-178.4	0	110.3	T398	T398-K400 PolarHBondContact O-N 3.27Å
401	P	29	Very low	30.2	Very low	102 Å²	102	114 Å²	114	66%	0.662	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-58.5	139.3	166.2	-17.3	29.5	0	0	0	110.5	S403	P401-S403 PolarHBondContact O-N 3.39Å
402	I	29.8	Very low	30.1	Very low	95 Å²	95	116.8 Å²	116.8	49%	0.487	66%	0.655	S	S	.	*			trans	-59.8	115.9	-175.5	-59.3	-177.9	0	0	0	110.9	N366 T460	N366-I402 WeakPolarHBondContact ND2-CG1 3.43Å; I402-T460 HydrophobicContact CB-CG2 4.36Å; I402-T460 HydrophobicContact CD1-CG2 3.85Å; I402-T460 HydrophobicContact CG1-CG2 4.19Å
403	S	29.1	Very low	30.3	Very low	102 Å²	102	116.2 Å²	116.2	71%	0.713	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-80.5	128.8	162.8	48.5	0	0	0	0	109.8	P401 V405	P401-S403 PolarHBondContact O-N 3.39Å; S403-V405 PolarHBondContact O-N 2.97Å
404	K	28	Very low	30.4	Very low	157 Å²	157	115.6 Å²	115.6	68%	0.683	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-60.6	121.7	177.8	-79.9	178.5	175.2	175.1	0	110.7
405	V	29.3	Very low	30.2	Very low	137 Å²	137	118.7 Å²	118.7	83%	0.83	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-87.6	123.6	161.5	176.6	0	0	0	0	107.9	S403	S403-V405 PolarHBondContact O-N 2.97Å
406	N	26	Very low	30.1	Very low	138 Å²	138	124.1 Å²	124.1	74%	0.738	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-69.4	134	174.7	-71	-31.5	0	0	0	110.4
407	N	30.3	Very low	29.8	Very low	166 Å²	166	131.5 Å²	131.5	89%	0.888	70%	0.703	S	S	*	*			trans	-156.3	128.9	141.1	-97.9	-17.2	0	0	0	111
408	S	25.4	Very low	29.3	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	73%	0.731	S	S	*	*			trans	-73.7	138.9	-178.8	-31.9	0	0	0	0	111
409	T	31.3	Very low	28.9	Very low	138 Å²	138	140.8 Å²	140.8	85%	0.847	76%	0.755	S	S	*	*			trans	-178.7	136.4	138.8	24.6	0	0	0	0	110.4
410	N	24.9	Very low	28.8	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	78%	0.781	S	S	*	*			trans	-68.5	144.4	-172.3	-61.7	-56.6	0	0	0	113.7
411	L	29.1	Very low	28.7	Very low	177 Å²	177	143.6 Å²	143.6	93%	0.927	78%	0.782	S	S	*	*			trans	-161	117.7	136.6	-138.1	73.3	0	0	0	111.4
412	E	24.1	Very low	28.8	Very low	175 Å²	175	145.6 Å²	145.6	82%	0.818	78%	0.783	S	S	*	*			trans	-90.4	165.7	175.1	-160.4	173.9	-163.5	0	0	109.9
413	T	31.7	Very low	28.7	Very low	142 Å²	142	146 Å²	146	87%	0.871	79%	0.794	S	S	*	*			trans	106.5	132.4	164.4	72.4	0	0	0	0	118.7
414	G	29.8	Very low	28.8	Very low	71 Å²	71	147.1 Å²	147.1	73%	0.732	80%	0.797	S	S	*	*			trans	127.2	69.4	138.9	0	0	0	0	0	120.8
415	I	26.9	Very low	28.9	Very low	156 Å²	156	143.7 Å²	143.7	80%	0.8	79%	0.792	S	S	*	*				25.1	124.4	129.6	-33.6	176.3	0	0	0	118.8
416	K	32.8	Very low	29.3	Very low	206 Å²	206	145.4 Å²	145.4	90%	0.896	79%	0.791	S	S	*	*				162.2	146.4	112.6	-85.4	-177.5	-175.2	174.4	0	114.4
417	R	24.2	Very low	29.4	Very low	217 Å²	217	146.2 Å²	146.2	82%	0.819	80%	0.795	S	S	*	*			trans	-96.4	145.4	-173.7	-173.9	-173.4	-159.5	171.4	4.6	109.3
418	C	28.2	Very low	29.4	Very low	137 Å²	137	142 Å²	142	93%	0.926	79%	0.791	S	S	*	*			trans	-160	138.9	149.4	-101.5	0	0	0	0	112.4
419	K	27.5	Very low	29.5	Very low	182 Å²	182	144.4 Å²	144.4	79%	0.791	79%	0.794	S	S	*	*			trans	-104.6	157.2	177.8	-70.9	177.8	170.2	-177.4	0	110.1
420	S	33.6	Very low	29.6	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	79%	0.793	S	S	*	*			trans	-175.1	119.9	141.8	15.5	0	0	0	0	107.5
421	Q	31.3	Very low	29.8	Very low	162 Å²	162	142.2 Å²	142.2	76%	0.757	79%	0.79	S	S	*	*				63.1	134	83.3	-79.4	178.1	-58.6	0	0	111.7
422	E	30.7	Very low	29.6	Very low	145 Å²	145	143.7 Å²	143.7	68%	0.678	79%	0.789	S	S	*	*			cis	-177.5	143.9	21.4	-126.9	160.5	-162.1	0	0	110.7
423	S	29.2	Very low	30	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	79%	0.787	S	S	*	*			trans	56.6	151.9	133.8	76.5	0	0	0	0	121.4
424	V	31.3	Very low	29.8	Very low	127 Å²	127	139 Å²	139	77%	0.77	78%	0.781	S	S	*	*			cis	-160.2	152.2	31.8	175.2	0	0	0	0	110.4
425	S	30.2	Very low	29.9	Very low	84 Å²	84	147 Å²	147	59%	0.587	79%	0.79	S	S	*	*			trans	-55.8	155.9	171.2	45.6	0	0	0	0	120.5
426	H	36.1	Very low	29.8	Very low	174 Å²	174	147.2 Å²	147.2	81%	0.806	79%	0.793	S	S	*	*				174.3	152.3	106.1	-105.7	-79.1	0	0	0	115.7
427	N	28.9	Very low	29.7	Very low	155 Å²	155	143.3 Å²	143.3	83%	0.829	79%	0.79	S	S	*	*			trans	-70.5	162.4	-171.6	-64.2	-38.3	0	0	0	117.5
428	G	30.6	Very low	30	Very low	77 Å²	77	139 Å²	139	79%	0.794	79%	0.787	S	S	*	*			trans	-177.6	117.1	156.1	0	0	0	0	0	114.5
429	L	27.5	Very low	29.9	Very low	158 Å²	158	140.3 Å²	140.3	83%	0.827	79%	0.785	S	S	*	*			trans	-74	158	179.9	-66.7	92.1	0	0	0	113.3
430	T	32.2	Very low	30	Very low	132 Å²	132	137 Å²	137	81%	0.81	79%	0.785	S	S	*	*				154.7	129.5	115.1	50	0	0	0	0	116.1
431	S	29.2	Very low	29.6	Very low	103 Å²	103	139 Å²	139	72%	0.72	79%	0.793	S	S	*	*			trans	33	124.1	143.7	60	0	0	0	0	125.8
432	K	26	Very low	29.6	Very low	208 Å²	208	137.3 Å²	137.3	90%	0.904	79%	0.793	S	S	*	*				36.5	123.3	126.1	-66.9	-179.7	176.9	177.1	0	120.6
433	S	31.7	Very low	29.5	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	80%	0.797	S	S	*	*				-168.7	133.2	126.6	-176.7	0	0	0	0	112.4
434	S	27.2	Very low	29.2	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	81%	0.807	S	S	*	*			trans	-68.1	153.2	168.4	-24.8	0	0	0	0	112.4
435	R	32.3	Very low	29	Very low	241 Å²	241	138.9 Å²	138.9	91%	0.909	80%	0.804	S	S	*	*			trans	-166.9	125.3	143.9	-105.4	175.3	-128.2	175.8	1.6	111
436	N	26.1	Very low	29	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	82%	0.817	S	S	*	*			trans	-71.8	151.8	167.5	-76.4	-21.9	0	0	0	111.1
437	C	29.2	Very low	28.7	Very low	124 Å²	124	141.8 Å²	141.8	84%	0.838	82%	0.82	S	S	*	*			trans	-167.6	103.7	144.9	-97.2	0	0	0	0	111.9
438	T	30.7	Very low	28.7	Very low	125 Å²	125	140.5 Å²	140.5	77%	0.767	81%	0.809	S	S	*	*			trans	29.8	120.9	135.6	56.4	0	0	0	0	123.6
439	N	26.4	Very low	28.8	Very low	165 Å²	165	141.1 Å²	141.1	88%	0.882	80%	0.799	S	S	*	*			trans	36.2	119.5	136.3	-66.5	-5	0	0	0	122.6
440	S	30.2	Very low	29	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	80%	0.803	S	S	*	*			trans	-149.2	134.5	134.9	72.8	0	0	0	0	111.6
441	V	25.6	Very low	28.8	Very low	147 Å²	147	140.3 Å²	140.3	89%	0.891	79%	0.786	S	S	*	*			trans	-64.2	125.3	178.3	174.2	0	0	0	0	111.4
442	V	29.8	Very low	29.3	Very low	127 Å²	127	136.5 Å²	136.5	77%	0.77	76%	0.759	S	S	*	*			trans	-146.2	142.5	162.1	-176.2	0	0	0	0	110.4
443	S	29	Very low	29.9	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	74%	0.738	S	S	*	*			trans	-53.5	154.2	-169.6	-30.1	0	0	0	0	117.8	S445	S443-S445 PolarHBondContact O-N 3.41Å
444	E	22.9	Very low	30.5	Very low	201 Å²	201	126.7 Å²	126.7	94%	0.939	71%	0.709	S	S	*	*			trans	-54.7	113.3	179.1	-157.4	162.8	-155.5	0	0	113.3
445	S	28.2	Very low	31.1	Very low	99 Å²	99	122.4 Å²	122.4	69%	0.692	68%	0.679	S	S	*	*			trans	-129.8	117.5	165.5	68.5	0	0	0	0	109.3	S443 M447	S443-S445 PolarHBondContact O-N 3.41Å; S445-M447 PolarHBondContact O-N 3.38Å
446	T	29.3	Very low	31.2	Very low	141 Å²	141	113.6 Å²	113.6	87%	0.865	65%	0.654	S	S	*	*			trans	-51.6	106.3	178.5	-47.5	0	0	0	0	111.1	Q448	T446-Q448 PolarHBondContact O-N 3.19Å
447	M	29.2	Very low	31.7	Very low	177 Å²	177	107 Å²	107	87%	0.872	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-72.9	118.5	176.6	-65.3	-142.3	87.6	0	0	110.4	S445	S445-M447 PolarHBondContact O-N 3.38Å
448	Q	29.9	Very low	31.9	Very low	129 Å²	129	106.5 Å²	106.5	60%	0.603	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-72.4	143.5	174.5	-68.8	-165.7	-23.1	0	0	112.1	W345 T446	W345-Q448 HydrophobicContact CZ3-CB 4.47Å; T446-Q448 PolarHBondContact O-N 3.19Å
449	P	31.4	Very low	32	Very low	90 Å²	90	103.1 Å²	103.1	58%	0.584	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-71.7	149.4	179.5	27.2	-31.5	0	0	0	112.9	W345	W345-P449 VanDerWaalsContact CH2-O 3.3Å; W345-P449 WeakPolarHBondContact CH2-O 3.4Å
450	K	33.3	Very low	32.2	Very low	207 Å²	207	99.3 Å²	99.3	90%	0.9	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-78.1	136.2	177.6	-64.1	178.1	179.4	179.7	0	110.1
451	S	28.3	Very low	32.4	Very low	65 Å²	65	98.8 Å²	98.8	46%	0.455	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-76.6	133.9	-167.1	10.7	0	0	0	0	115.1	W345	W345-S451 PolarHBondContact NE1-OG 3.45Å; W345-S451 VanDerWaalsContact NE1-OG 3.13Å
452	P	39.4	Very low	32.8	Very low	24 Å²	24	98.7 Å²	98.7	16%	0.156	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-88.1	137.3	154.3	31.2	-26.2	0	0	0	111	D667	P452-D667 WeakPolarHBondContact CB-OD1 3.48Å
453	T	38.9	Very low	32.7	Very low	76 Å²	76	99.3 Å²	99.3	47%	0.466	54%	0.542	S	S	.	.			trans	-92.7	98.7	-174.5	-69.1	0	0	0	0	110.1	S455 K663	T453-S455 PolarHBondContact O-N 2.92Å; T453-S455 VanDerWaalsContact O-N 3.16Å; T453-K663 PolarHBondContact O-NZ 2.85Å
454	H	43.7	Very low	32.6	Very low	34 Å²	34	97.5 Å²	97.5	16%	0.157	53%	0.529	C	S	.	.			trans	-84.9	72.6	179.3	-89.1	-85.4	0	0	0	113.1	Y341 R342	Y341-H454 HydrophobicContact CD1-CB 4.12Å; Y341-H454 HydrophobicContact CE1-CB 3.93Å; Y341-H454 AromaticContact CE1-CD2 3.99Å; Y341-H454 AromaticContact CZ-CD2 3.8Å; Y341-H454 PolarHBondContact N-O 3.32Å; Y341-H454 CarbonylContact O-C 3.54Å; Y341-H454 PolarHBondContact OH-CD2 3.4Å; R342-H454 PolarHBondContact NH1-O 3.17Å
455	S	39.1	Very low	32.9	Very low	19 Å²	19	94.8 Å²	94.8	13%	0.133	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-71.6	152.8	155.2	43.9	0	0	0	0	110.5	M316 T453 S457 K663	M316-S455 WeakPolarHBondContact CE-OG 3.35Å; T453-S455 PolarHBondContact O-N 2.92Å; T453-S455 VanDerWaalsContact O-N 3.16Å; S455-S457 PolarHBondContact O-N 2.91Å; S455-K663 WeakPolarHBondContact O-CE 3.06Å; S455-K663 PolarHBondContact O-NZ 3.21Å; S455-K663 PolarHBondContact OG-NZ 3.32Å
456	P	34.1	Very low	33.1	Very low	57 Å²	57	95 Å²	95	37%	0.37	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-54.6	137.7	169.9	24.6	-32.4	0	0	0	108.1	S340	S340-P456 WeakPolarHBondContact OG-CA 3.16Å; S340-P456 WeakPolarHBondContact OG-CD 3.49Å
457	S	36.2	Very low	33	Very low	21 Å²	21	93.7 Å²	93.7	15%	0.147	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-64.9	161.6	166.9	52.1	0	0	0	0	110.5	S455 L459 E630	S455-S457 PolarHBondContact O-N 2.91Å; S457-L459 PolarHBondContact O-N 2.89Å; S457-E630 WeakPolarHBondContact CB-OE1 3.14Å; S457-E630 WeakPolarHBondContact CB-OE2 3.2Å; S457-E630 PolarHBondContact OG-OE1 3.36Å
458	T	34.2	Very low	32.9	Very low	114 Å²	114	89.4 Å²	89.4	70%	0.699	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-57.7	9.1	-179.7	-34.6	0	0	0	0	114.1
459	L	32.5	Very low	32.8	Very low	53 Å²	53	88.6 Å²	88.6	28%	0.277	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-78	-12.5	-178.7	-88.4	171.4	0	0	0	115.9	S457 Y641 I645	S457-L459 PolarHBondContact O-N 2.89Å; L459-Y641 HydrophobicContact CD2-CE1 4.31Å; L459-Y641 WeakPolarHBondContact CG-OH 3.36Å; L459-I645 HydrophobicContact CD2-CB 4.08Å; L459-I645 HydrophobicContact CD2-CD1 3.12Å; L459-I645 HydrophobicContact CD2-CG1 3.35Å; L459-I645 HydrophobicContact CD2-CG2 3.66Å; L459-I645 HydrophobicContact CG-CD1 4.23Å
460	T	31.5	Very low	32.6	Very low	86 Å²	86	92.6 Å²	92.6	53%	0.528	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-124	15.4	-170.2	-44.7	0	0	0	0	114.5	I402	I402-T460 HydrophobicContact CB-CG2 4.36Å; I402-T460 HydrophobicContact CD1-CG2 3.85Å; I402-T460 HydrophobicContact CG1-CG2 4.19Å
461	R	33.1	Very low	32.3	Very low	101 Å²	101	90.3 Å²	90.3	38%	0.381	53%	0.525	S	S	.	.			trans	-150	85.1	-171.5	-142.1	165.6	-168.7	-142.7	20.6	113.5	E319 R320	E319-R461 WeakPolarHBondContact OE2-CD 3.33Å; E319-R461 IonicContact OE2-CZ 3.96Å; E319-R461 IonicContact OE2-NE 3.99Å; E319-R461 IonicContact OE2-NH1 3.67Å; E319-R461 PolarHBondContact OE2-NH1 3.26Å; R320-R461 PolarHBondContact O-NH2 3.01Å
462	Q	34	Very low	32.1	Very low	144 Å²	144	95 Å²	95	67%	0.673	54%	0.544	S	S	*	.			trans	-175.3	107.9	142.9	-100.7	164.8	-5.5	0	0	112.7
463	L	29.4	Very low	31.5	Very low	141 Å²	141	99 Å²	99	74%	0.738	57%	0.573	S	S	*	*				36.7	113.8	126.9	-55.1	167.3	0	0	0	117.6
464	S	26.4	Very low	31.1	Very low	68 Å²	68	103.7 Å²	103.7	48%	0.476	59%	0.594	S	S	.	*				69.1	121.5	67.7	74	0	0	0	0	114.7
465	L	28.4	Very low	30.5	Very low	144 Å²	144	109.7 Å²	109.7	75%	0.754	63%	0.628	S	S	*	*			trans	75.8	132.9	176.2	-59.5	103.1	0	0	0	115.4
466	S	32.1	Very low	30	Very low	104 Å²	104	117.4 Å²	117.4	73%	0.727	65%	0.654	S	S	*	*			cis	-156.9	135.2	17.1	51	0	0	0	0	112.4
467	S	28.3	Very low	29.7	Very low	113 Å²	113	119.2 Å²	119.2	79%	0.79	67%	0.674	S	S	*	*			trans	26	132.5	143.9	62.1	0	0	0	0	123.7
468	A	27.1	Very low	29.3	Very low	87 Å²	87	126.7 Å²	126.7	72%	0.719	71%	0.708	S	S	*	*				102.9	108.2	128.4	0	0	0	0	0	118.9
469	S	26.8	Very low	29.1	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	71%	0.712	S	S	*	*			trans	96	128.2	130.7	-60.2	0	0	0	0	118.9
470	E	27.2	Very low	28.9	Very low	175 Å²	175	133.5 Å²	133.5	82%	0.818	74%	0.737	S	S	*	*			trans	98.6	100.1	152.4	-69.2	176.7	174	0	0	120.1
471	M	26.8	Very low	28.9	Very low	159 Å²	159	140.3 Å²	140.3	78%	0.783	75%	0.754	S	S	*	*				75.5	106	126.7	-68.7	-151	-47.4	0	0	120.3
472	L	25.2	Very low	28.7	Very low	162 Å²	162	140.3 Å²	140.3	85%	0.848	77%	0.77	S	S	*	*				26.9	103	109.9	-66.7	167.6	0	0	0	116.1
473	S	27.4	Very low	28.6	Very low	110 Å²	110	138 Å²	138	77%	0.769	77%	0.77	S	S	*	*				167.6	130.3	123	47.1	0	0	0	0	111
474	L	30.2	Very low	28.7	Very low	173 Å²	173	140.1 Å²	140.1	91%	0.906	78%	0.776	S	S	*	*				-178.9	80.7	128.7	-93.7	155.1	0	0	0	109.5
475	N	30.5	Very low	28.9	Very low	161 Å²	161	141 Å²	141	86%	0.861	79%	0.788	S	S	*	*			trans	-83.5	129.1	147.1	-101.9	-37.4	0	0	0	108.2
476	R	28.7	Very low	28.9	Very low	181 Å²	181	140.1 Å²	140.1	68%	0.683	79%	0.793	S	S	*	*			trans	67.8	103.4	136.4	-154.7	174.5	-157.3	167.9	0.6	119.2
477	A	27.3	Very low	28.9	Very low	95 Å²	95	139 Å²	139	79%	0.785	80%	0.797	S	S	*	*			trans	-162.8	150.9	140.7	0	0	0	0	0	108.3
478	M	28.9	Very low	28.8	Very low	178 Å²	178	142.7 Å²	142.7	88%	0.877	80%	0.802	S	S	*	*			cis	-175.6	148	-25.3	-111.5	-155.1	-152	0	0	103.7
479	T	28.1	Very low	29.1	Very low	126 Å²	126	144 Å²	144	77%	0.773	80%	0.804	S	S	*	*			trans	-49.7	144.1	164.1	32.4	0	0	0	0	114.1
480	K	29.6	Very low	29.3	Very low	183 Å²	183	144 Å²	144	80%	0.796	80%	0.801	S	S	*	*			trans	173.6	122.2	133.5	-96.3	170.5	-174.6	-176.9	0	109.6
481	Y	31.9	Very low	29.3	Very low	229 Å²	229	142.6 Å²	142.6	90%	0.898	80%	0.799	S	S	*	*				-176.8	129.3	107.1	-98.3	-75.8	0	0	0	111
482	S	28.9	Very low	29.8	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	80%	0.797	S	S	*	*			trans	-91.1	162.6	176.1	175.3	0	0	0	0	110.9
483	S	30.7	Very low	30	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	80%	0.796	S	S	*	*			trans	68.1	138.3	156.5	57.4	0	0	0	0	117.5
484	Q	31.8	Very low	30.1	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.864	80%	0.8	S	S	*	*			cis	-170.3	160.9	16.6	-121	168.8	12.9	0	0	109.6
485	A	31.6	Very low	30.2	Very low	87 Å²	87	141.8 Å²	141.8	72%	0.719	80%	0.795	S	S	*	*			trans	84.1	101.9	147.8	0	0	0	0	0	121.6
486	S	27.9	Very low	30	Very low	125 Å²	125	139 Å²	139	87%	0.874	79%	0.789	S	S	*	*				57.9	115.3	126.3	61.1	0	0	0	0	121.6
487	G	31.7	Very low	30.2	Very low	79 Å²	79	136.8 Å²	136.8	81%	0.814	80%	0.795	S	S	*	*			trans	165.1	86.4	157.3	0	0	0	0	0	112.8
488	E	25.3	Very low	30.3	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	80%	0.801	S	S	*	*			trans	-67.7	147.1	157.1	-99.5	-176.1	150.1	0	0	109.1
489	P	34.4	Very low	30.2	Very low	115 Å²	115	145 Å²	145	75%	0.747	80%	0.801	S	S	*	*				-153.5	-157.4	67	37.7	-14.2	0	0	0	113.3
490	P	31.3	Very low	30.3	Very low	113 Å²	113	145 Å²	145	73%	0.734	81%	0.805	S	S	*	*				-116.8	164.3	-59.7	31.2	-14.4	0	0	0	113
491	N	27.9	Very low	30.3	Very low	145 Å²	145	141.6 Å²	141.6	78%	0.775	81%	0.805	S	S	*	*			trans	-56.7	129.2	178.3	-171.2	16.4	0	0	0	115.2
492	P	36.1	Very low	30.1	Very low	112 Å²	112	138.2 Å²	138.2	73%	0.727	80%	0.802	S	S	*	*			trans	-104.4	104.3	163.6	26.2	-11	0	0	0	112.3
493	Q	30.6	Very low	30.3	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	81%	0.806	S	S	*	*			trans	38.1	101.8	139.3	-63.1	-178.9	-12.8	0	0	118.7	I495	Q493-I495 PolarHBondContact O-N 3.36Å
494	T	29.2	Very low	30.3	Very low	141 Å²	141	141.5 Å²	141.5	87%	0.865	82%	0.816	S	S	*	*			trans	-55.4	109.7	160.4	-48	0	0	0	0	111.1	S496	T494-S496 PolarHBondContact O-N 3.48Å
495	I	32.2	Very low	30	Very low	157 Å²	157	135.9 Å²	135.9	81%	0.805	81%	0.807	S	S	*	*			trans	-78.8	120.1	166.9	-67.2	175.1	0	0	0	108.7	Q493 T497	Q493-I495 PolarHBondContact O-N 3.36Å; I495-T497 PolarHBondContact O-N 2.92Å
496	S	25.6	Very low	30.1	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	81%	0.814	S	S	*	*			trans	-52	114.8	179.6	-173	0	0	0	0	113.9	T494	T494-S496 PolarHBondContact O-N 3.48Å
497	T	32.9	Very low	29.9	Very low	133 Å²	133	141 Å²	141	82%	0.816	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-94.9	122.1	153.9	50.6	0	0	0	0	108.6	I495 K499	I495-T497 PolarHBondContact O-N 2.92Å; T497-K499 PolarHBondContact O-N 3.38Å
498	R	29.8	Very low	29.9	Very low	242 Å²	242	143 Å²	143	91%	0.913	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-46.6	121.2	-173.4	-63.5	175.2	-170.8	175.2	2	112.3
499	K	27.2	Very low	30	Very low	203 Å²	203	141.3 Å²	141.3	88%	0.883	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.4	123.1	162.2	-70.3	178.5	176	179.7	0	108.4	T497	T497-K499 PolarHBondContact O-N 3.38Å
500	C	29.5	Very low	29.6	Very low	127 Å²	127	146 Å²	146	86%	0.858	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.8	124.9	153.1	-78.5	0	0	0	0	107.7
501	S	30.3	Very low	29.5	Very low	112 Å²	112	147.9 Å²	147.9	78%	0.783	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.8	-179.3	43.2	0	0	0	0	112.7
502	N	26.9	Very low	29.4	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-72.6	129.9	158.7	-74.5	-14.6	0	0	0	108.9
503	P	34.1	Very low	29.1	Very low	122 Å²	122	152.2 Å²	152.2	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77.7	150.5	161.1	31.3	-27.5	0	0	0	110.4
504	V	29.9	Very low	29	Very low	145 Å²	145	149.4 Å²	149.4	88%	0.879	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66.3	135.3	-167.1	169	0	0	0	0	113.4
505	G	26.5	Very low	29.1	Very low	66 Å²	66	148.5 Å²	148.5	68%	0.68	82%	0.818	S	S	*	*			trans	66.7	90.3	136.8	0	0	0	0	0	119.1
506	V	32	Very low	29	Very low	143 Å²	143	146.1 Å²	146.1	87%	0.867	82%	0.816	S	S	*	*			trans	-150	123.5	137.7	-174.2	0	0	0	0	108.1
507	E	25.3	Very low	29.7	Very low	176 Å²	176	146.5 Å²	146.5	82%	0.822	82%	0.819	S	S	*	*			trans	-66.3	125.5	173.5	-158.8	-178.2	-153.3	0	0	109.8	Q509	E507-Q509 PolarHBondContact O-N 3.11Å
508	P	30.7	Very low	30.6	Very low	122 Å²	122	147.4 Å²	147.4	79%	0.792	82%	0.818	S	S	*	*			trans	-92.7	107.4	173.7	21	-7.3	0	0	0	110
509	Q	27.2	Very low	32.6	Very low	156 Å²	156	140.1 Å²	140.1	73%	0.729	80%	0.796	S	S	*	*			trans	-47.6	142.1	162	-69.4	178.2	-18.1	0	0	111.2	E507 H511	E507-Q509 PolarHBondContact O-N 3.11Å; Q509-H511 PolarHBondContact O-N 2.96Å
510	K	26.6	Very low	35.1	Very low	212 Å²	212	132.5 Å²	132.5	92%	0.922	77%	0.767	S	S	*	*			trans	-56.2	98.4	173.3	-71.2	174.1	176.5	175.1	0	110.5
511	H	29.8	Very low	37.8	Very low	154 Å²	154	129.7 Å²	129.7	71%	0.713	74%	0.743	S	S	*	*			trans	-107	115.5	160.2	-85.8	-66.7	0	0	0	109.6	Q509 I513	Q509-H511 PolarHBondContact O-N 2.96Å; H511-I513 PolarHBondContact O-N 3.3Å; H511-I513 VanDerWaalsContact O-N 3.12Å
512	Q	24.8	Very low	40.6	Very low	199 Å²	199	127.6 Å²	127.6	93%	0.93	73%	0.725	S	S	*	*			trans	-56.7	109.2	167.5	-71	174.3	-13.9	0	0	108.5
513	I	30.5	Very low	43.7	Very low	149 Å²	149	120.3 Å²	120.3	76%	0.764	69%	0.686	S	S	*	*			trans	-105.1	115.5	164.7	-61.1	173.7	0	0	0	106.1	H511 S515	H511-I513 PolarHBondContact O-N 3.3Å; H511-I513 VanDerWaalsContact O-N 3.12Å; I513-S515 PolarHBondContact O-N 2.69Å
514	S	27.5	Very low	46.3	Very low	117 Å²	117	118.3 Å²	118.3	82%	0.818	67%	0.673	S	S	*	*			trans	-45.6	99.2	176.3	-37.6	0	0	0	0	111.2	S516	S514-S516 PolarHBondContact O-N 3.38Å; S514-S516 VanDerWaalsContact O-N 3.14Å
515	S	31.8	Very low	49.1	Very low	122 Å²	122	112.1 Å²	112.1	85%	0.853	64%	0.639	S	S	*	*			trans	-86.7	78.3	-170.4	58.7	0	0	0	0	111.8	I513	I513-S515 PolarHBondContact O-N 2.69Å
516	S	30.7	Very low	52.1	Low	107 Å²	107	114.9 Å²	114.9	75%	0.748	64%	0.638	S	S	*	*			trans	-162.8	93	176.9	170.2	0	0	0	0	109.1	S514	S514-S516 PolarHBondContact O-N 3.38Å; S514-S516 VanDerWaalsContact O-N 3.14Å
517	S	39.5	Very low	54.9	Low	112 Å²	112	110.8 Å²	110.8	78%	0.783	62%	0.616	S	S	*	*	S	Bend	trans	172.4	-18.5	153.8	39.8	0	0	0	0	119.6
518	L	52.3	Low	58.1	Low	152 Å²	152	102.8 Å²	102.8	80%	0.796	58%	0.579	S	S	*	*			trans	-121	75.5	-171.1	-64.8	170.6	0	0	0	114.1	T520	L518-T520 VanDerWaalsContact C-N 3.34Å
519	L	71	Confident	61.1	Low	89 Å²	89	100.4 Å²	100.4	47%	0.466	56%	0.557	S	S	.	*	S	Bend	trans	-75.9	-25.2	170.4	-72.8	168.2	0	0	0	112.6	Y691 K692	L519-Y691 PolarHBondContact O-N 2.95Å; L519-K692 HydrophobicContact CD2-CB 4.08Å; L519-K692 HydrophobicContact CD2-CD 3.99Å; L519-K692 HydrophobicContact CD2-CG 4.37Å
520	T	79.6	Confident	64.3	Low	43 Å²	43	93.3 Å²	93.3	26%	0.264	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.5	-175.6	-54.8	0	0	0	0	109.8	L518 Y688 V689 N690	L518-T520 VanDerWaalsContact C-N 3.34Å; T520-Y688 HydrophobicContact CG2-CD1 4.15Å; T520-V689 CarbonylContact C-O 3.56Å; T520-V689 WeakPolarHBondContact CA-O 3.29Å; T520-N690 WeakPolarHBondContact CG2-OD1 3.25Å; T520-N690 PolarHBondContact OG1-OD1 3.28Å
521	L	87.7	Confident	67.5	Low	67 Å²	67	83.2 Å²	83.2	35%	0.351	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.3	172.1	171.2	71.6	0	0	0	108.7	V523 W576 V689 Y691	L521-V523 HydrophobicContact CD2-CG2 3.96Å; L521-V523 HydrophobicContact CG-CG2 4.1Å; L521-W576 HydrophobicContact CD2-CZ2 3.58Å; L521-V689 HydrophobicContact CB-CB 4.34Å; L521-V689 PolarHBondContact N-O 3.17Å; L521-V689 PolarHBondContact O-N 2.92Å; L521-Y691 HydrophobicContact CB-CE2 3.82Å; L521-Y691 HydrophobicContact CD2-CE2 4.15Å
522	V	89.2	Confident	70.6	Confident	68 Å²	68	76 Å²	76	41%	0.412	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.7	172.1	-173.3	0	0	0	0	108.8	D686 L687 Y688	V522-D686 HydrophobicContact CG1-CB 4.09Å; V522-L687 CarbonylContact C-O 3.59Å; V522-L687 WeakPolarHBondContact CA-O 3.48Å; V522-Y688 HydrophobicContact CG1-CE1 4.38Å; V522-Y688 HydrophobicContact CG1-CE2 4.43Å; V522-Y688 HydrophobicContact CG2-CD1 3.73Å; V522-Y688 HydrophobicContact CG2-CE1 3.56Å
523	V	90.5	Very high	73.9	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.03	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.1	177.2	178.4	0	0	0	0	107.6	L521 S527 Y528 W576 L687 V689	L521-V523 HydrophobicContact CD2-CG2 3.96Å; L521-V523 HydrophobicContact CG-CG2 4.1Å; V523-S527 WeakPolarHBondContact CG1-OG 3.28Å; V523-Y528 HydrophobicContact CG1-CD1 4Å; V523-W576 HydrophobicContact CG1-CB 4.23Å; V523-W576 HydrophobicContact CG1-CD2 4.22Å; V523-W576 HydrophobicContact CG1-CG 3.92Å; V523-W576 HydrophobicContact CG2-CD2 3.95Å; V523-W576 HydrophobicContact CG2-CE3 4.48Å; V523-W576 HydrophobicContact CG2-CG 4.34Å; V523-W576 HydrophobicContact CG2-CH2 4.48Å; V523-W576 HydrophobicContact CG2-CZ2 3.91Å; V523-L687 HydrophobicContact CB-CB 4.13Å; V523-L687 HydrophobicContact CB-CD2 4.15Å; V523-L687 HydrophobicContact CG2-CD2 4.36Å; V523-L687 PolarHBondContact N-O 2.76Å; V523-L687 PolarHBondContact O-N 3.34Å; V523-V689 HydrophobicContact CG2-CG2 4.29Å
524	P	89.2	Confident	76.8	Confident	80 Å²	80	59.5 Å²	59.5	52%	0.519	37%	0.366	S	S	.	.			trans	-57.6	145.2	-176.5	-25.9	33.9	0	0	0	113.2	S527 D686	P524-S527 WeakPolarHBondContact O-CB 3.47Å; P524-S527 PolarHBondContact O-N 3.01Å; P524-S527 VanDerWaalsContact O-N 3.16Å; P524-S527 PolarHBondContact O-OG 3.27Å; P524-D686 WeakPolarHBondContact CA-OD1 3.45Å
525	G	88.9	Confident	79.9	Confident	16 Å²	16	54 Å²	54	17%	0.165	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	146.1	169.3	0	0	0	0	0	112.4	S527 V683 S685 D686	G525-S527 PolarHBondContact O-N 3.37Å; G525-V683 WeakPolarHBondContact CA-O 3.33Å; G525-S685 WeakPolarHBondContact CA-O 3.37Å; G525-D686 PolarHBondContact N-OD1 3.34Å
526	N	89.2	Confident	82.5	Confident	124 Å²	124	50.7 Å²	50.7	66%	0.663	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	0.6	-175.9	-47.2	-61.5	0	0	0	116.1	V683 S684	N526-V683 PolarHBondContact N-O 3.09Å; N526-S684 WeakPolarHBondContact OD1-CA 3.32Å
527	S	90.7	Very high	84.7	Confident	57 Å²	57	51.8 Å²	51.8	40%	0.399	29%	0.29	S	S	.	.	S	Bend	trans	-92.8	-4.4	174.7	75.2	0	0	0	0	113.9	V523 P524 G525 W576	V523-S527 WeakPolarHBondContact CG1-OG 3.28Å; P524-S527 WeakPolarHBondContact O-CB 3.47Å; P524-S527 PolarHBondContact O-N 3.01Å; P524-S527 VanDerWaalsContact O-N 3.16Å; P524-S527 PolarHBondContact O-OG 3.27Å; G525-S527 PolarHBondContact O-N 3.37Å; S527-W576 WeakPolarHBondContact O-CB 3.26Å
528	Y	93.6	Very high	86.2	Confident	8 Å²	8	47.9 Å²	47.9	3%	0.031	26%	0.26	C	S	.	.	S	Bend	trans	-127.9	162.1	177.9	65.8	-86.9	0	0	0	110.5	V523 I530 A574 R575 R682 V683 S685 L687	V523-Y528 HydrophobicContact CG1-CD1 4Å; Y528-I530 HydrophobicContact CD2-CG1 4.35Å; Y528-I530 HydrophobicContact CE2-CD1 4.35Å; Y528-I530 HydrophobicContact CE2-CG1 4.13Å; Y528-A574 HydrophobicContact CD2-CB 3.87Å; Y528-A574 HydrophobicContact CE2-CB 4.46Å; Y528-R575 VanDerWaalsContact CA-O 3.27Å; Y528-R575 WeakPolarHBondContact CA-O 3.33Å; Y528-R575 WeakPolarHBondContact CB-O 3.46Å; Y528-R682 PolarHBondContact OH-O 3.37Å; Y528-V683 HydrophobicContact CE2-CG1 4.46Å; Y528-V683 HydrophobicContact CE2-CG2 4.34Å; Y528-V683 WeakPolarHBondContact O-CG1 3.46Å; Y528-V683 PolarHBondContact OH-O 3.2Å; Y528-S685 WeakPolarHBondContact CE1-O 3.02Å; Y528-S685 PolarHBondContact OH-O 3.49Å; Y528-L687 HydrophobicContact CD1-CB 3.96Å; Y528-L687 HydrophobicContact CD1-CD2 4.3Å; Y528-L687 HydrophobicContact CD2-CD2 4.32Å; Y528-L687 HydrophobicContact CE1-CB 3.57Å; Y528-L687 HydrophobicContact CE2-CB 4.41Å; Y528-L687 HydrophobicContact CG-CD2 4.14Å
529	E	93.6	Very high	86.3	Confident	71 Å²	71	44.2 Å²	44.2	33%	0.332	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141	-179.9	44.6	163.7	62.7	0	0	109.3	I531 R559 A574 R575	E529-I531 VanDerWaalsContact OE2-CD1 3.27Å; E529-I531 WeakPolarHBondContact OE2-CD1 3.42Å; E529-R559 VanDerWaalsContact CB-NH2 3.29Å; E529-R559 IonicContact OE1-CZ 2.9Å; E529-R559 VanDerWaalsContact OE1-CZ 3.3Å; E529-R559 IonicContact OE1-NH1 2.85Å; E529-R559 PolarHBondContact OE1-NH1 2.87Å; E529-R559 IonicContact OE1-NH2 2.82Å; E529-R559 PolarHBondContact OE1-NH2 2.8Å; E529-R559 IonicContact OE2-CZ 3.28Å; E529-R559 IonicContact OE2-NH1 3.29Å; E529-R559 PolarHBondContact OE2-NH1 2.79Å; E529-R559 IonicContact OE2-NH2 2.82Å; E529-R559 PolarHBondContact OE2-NH2 2.93Å; E529-A574 WeakPolarHBondContact O-CA 3.36Å; E529-R575 HydrophobicContact CG-CB 4.15Å; E529-R575 VanDerWaalsContact CG-O 3.26Å; E529-R575 WeakPolarHBondContact CG-O 3.48Å; E529-R575 PolarHBondContact N-O 3.49Å; E529-R575 PolarHBondContact O-N 2.99Å; E529-R575 WeakPolarHBondContact OE2-CD 3.33Å; E529-R575 IonicContact OE2-NH1 3.2Å
530	I	94.1	Very high	85.2	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.6	178.1	-65.3	174.7	0	0	0	109.6	Y528 W572 I573 L588 L679 V683	Y528-I530 HydrophobicContact CD2-CG1 4.35Å; Y528-I530 HydrophobicContact CE2-CD1 4.35Å; Y528-I530 HydrophobicContact CE2-CG1 4.13Å; I530-W572 HydrophobicContact CG2-CB 4.21Å; I530-W572 HydrophobicContact CG2-CG 4.41Å; I530-I573 WeakPolarHBondContact CA-O 3.35Å; I530-L588 HydrophobicContact CD1-CD2 4.15Å; I530-L679 HydrophobicContact CD1-CB 4.13Å; I530-L679 WeakPolarHBondContact CD1-O 3.27Å; I530-L679 HydrophobicContact CG2-CB 4.37Å; I530-V683 HydrophobicContact CB-CG2 4.38Å; I530-V683 HydrophobicContact CD1-CG2 3.53Å; I530-V683 HydrophobicContact CG1-CG2 3.78Å
531	I	94.2	Very high	83.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.5	-179.5	-59	161.3	0	0	0	109.1	E529 L533 R559 E561 W572 I573 R575	E529-I531 VanDerWaalsContact OE2-CD1 3.27Å; E529-I531 WeakPolarHBondContact OE2-CD1 3.42Å; I531-L533 HydrophobicContact CG2-CD2 4.24Å; I531-R559 HydrophobicContact CG1-CB 4.37Å; I531-E561 HydrophobicContact CG2-CB 4.39Å; I531-E561 HydrophobicContact CG2-CG 4.02Å; I531-W572 WeakPolarHBondContact O-CA 3.29Å; I531-I573 HydrophobicContact CB-CD1 4.48Å; I531-I573 HydrophobicContact CB-CG1 3.93Å; I531-I573 HydrophobicContact CD1-CD1 4.41Å; I531-I573 PolarHBondContact N-O 2.74Å; I531-I573 PolarHBondContact O-N 3.35Å; I531-R575 HydrophobicContact CD1-CB 4.14Å
532	L	94.2	Very high	82.1	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.3	168.4	179.6	71.7	0	0	0	109.8	L549 F553 R559 C560 E561 F570 W572	L532-L549 HydrophobicContact CD2-CD2 4.49Å; L532-F553 HydrophobicContact CB-CE1 4.03Å; L532-F553 HydrophobicContact CD2-CD1 4.35Å; L532-F553 HydrophobicContact CD2-CE1 3.26Å; L532-F553 HydrophobicContact CD2-CZ 3.4Å; L532-F553 VanDerWaalsContact CD2-CZ 3.4Å; L532-F553 HydrophobicContact CG-CE1 4.26Å; L532-R559 PolarHBondContact N-O 2.87Å; L532-C560 HydrophobicContact CB-CB 4.39Å; L532-C560 CarbonylContact O-C 3.49Å; L532-C560 VanDerWaalsContact O-CA 3.24Å; L532-C560 WeakPolarHBondContact O-CA 3.31Å; L532-E561 PolarHBondContact O-N 3.15Å; L532-F570 HydrophobicContact CD1-CB 4.12Å; L532-W572 HydrophobicContact CD1-CD2 3.94Å; L532-W572 VanDerWaalsContact CD1-CE2 3.49Å; L532-W572 HydrophobicContact CD1-CG 4.32Å; L532-W572 HydrophobicContact CD1-CH2 4.37Å; L532-W572 HydrophobicContact CD1-CZ2 3.73Å
533	L	94	Very high	80.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.6	166.6	-58.6	-171.7	0	0	0	110.2	I531 E561 R563 L565 F570 L571 I573 W709	I531-L533 HydrophobicContact CG2-CD2 4.24Å; L533-E561 WeakPolarHBondContact CA-O 3.32Å; L533-E561 HydrophobicContact CD2-CB 3.74Å; L533-R563 HydrophobicContact CD2-CG 4.23Å; L533-L565 HydrophobicContact CB-CD2 4.09Å; L533-L565 HydrophobicContact CD1-CD2 4.13Å; L533-F570 VanDerWaalsContact O-CA 3.31Å; L533-F570 WeakPolarHBondContact O-CA 2.93Å; L533-L571 HydrophobicContact CB-CD1 4.03Å; L533-L571 HydrophobicContact CB-CG 4.36Å; L533-L571 HydrophobicContact CD1-CD1 3.82Å; L533-L571 HydrophobicContact CG-CD1 4.1Å; L533-L571 PolarHBondContact N-O 3.38Å; L533-L571 PolarHBondContact O-N 3.13Å; L533-L571 VanDerWaalsContact O-N 3.09Å; L533-I573 HydrophobicContact CD1-CD1 4.14Å; L533-I573 HydrophobicContact CD1-CG1 4.3Å; L533-I573 HydrophobicContact CD1-CG2 3.54Å; L533-I573 HydrophobicContact CD2-CD1 4.04Å; L533-I573 HydrophobicContact CD2-CG1 4.27Å; L533-I573 HydrophobicContact CG-CD1 4.24Å; L533-I573 HydrophobicContact CG-CG1 4.11Å; L533-I573 HydrophobicContact CG-CG2 4.01Å; L533-W709 HydrophobicContact CD1-CH2 3.78Å; L533-W709 HydrophobicContact CD1-CZ3 3.57Å
534	A	92.1	Very high	79.3	Confident	2 Å²	2	52.3 Å²	52.3	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.1	172.6	0	0	0	0	0	110.5	L549 E561 S562 R563 F570	A534-L549 HydrophobicContact CB-CD1 4.27Å; A534-E561 PolarHBondContact N-O 3.5Å; A534-S562 WeakPolarHBondContact O-CA 3.5Å; A534-R563 PolarHBondContact O-N 3.48Å; A534-R563 VanDerWaalsContact O-O 3.13Å; A534-F570 HydrophobicContact CB-CD1 3.78Å; A534-F570 HydrophobicContact CB-CE1 3.77Å
535	D	91.9	Very high	78.2	Confident	2 Å²	2	49 Å²	49	1%	0.011	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134.6	178.9	-170.2	77.6	0	0	0	111.5	R537 E538 R563 L565 D569	D535-R537 PolarHBondContact O-N 3.01Å; D535-R537 IonicContact OD1-CZ 3.5Å; D535-R537 IonicContact OD1-NE 2.81Å; D535-R537 IonicContact OD1-NH2 3.82Å; D535-R537 PolarHBondContact OD1-NH2 3.36Å; D535-R537 VanDerWaalsContact OD2-CA 3.27Å; D535-R537 WeakPolarHBondContact OD2-CA 3.45Å; D535-R537 WeakPolarHBondContact OD2-CB 3.33Å; D535-R537 WeakPolarHBondContact OD2-CG 3.15Å; D535-R537 IonicContact OD2-CZ 2.71Å; D535-R537 PolarHBondContact OD2-N 2.71Å; D535-R537 IonicContact OD2-NE 3.67Å; D535-R537 PolarHBondContact OD2-NE 2.89Å; D535-R537 IonicContact OD2-NH2 3.31Å; D535-R537 PolarHBondContact OD2-NH2 3.4Å; D535-E538 HydrophobicContact CB-CG 4.36Å; D535-E538 WeakPolarHBondContact O-CB 3.02Å; D535-E538 PolarHBondContact O-N 3.05Å; D535-R563 CarbonylContact C-O 3.49Å; D535-R563 VanDerWaalsContact CA-O 3.23Å; D535-R563 WeakPolarHBondContact CA-O 3.44Å; D535-L565 HydrophobicContact CB-CB 4.23Å; D535-L565 HydrophobicContact CB-CD1 4.08Å; D535-L565 HydrophobicContact CB-CG 4.06Å; D535-L565 WeakPolarHBondContact OD1-CA 3.26Å; D535-L565 WeakPolarHBondContact OD1-CB 3.48Å; D535-L565 PolarHBondContact OD1-N 3.11Å; D535-D569 PolarHBondContact N-O 3.12Å
536	V	85.5	Confident	77.3	Confident	53 Å²	53	51.5 Å²	51.5	32%	0.321	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.6	179.3	-66.9	0	0	0	0	113.6	N539 R546 R563 A564	V536-N539 PolarHBondContact O-ND2 2.86Å; V536-R546 PolarHBondContact O-NH1 3.17Å; V536-R563 PolarHBondContact N-O 2.94Å; V536-A564 HydrophobicContact CG2-CB 3.84Å
537	R	78.2	Confident	76.4	Confident	129 Å²	129	51.9 Å²	51.9	49%	0.487	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	4.2	179	-48.6	162.6	-68.2	-162.4	-5	112.7	D535 N539 F540 L565	D535-R537 PolarHBondContact O-N 3.01Å; D535-R537 IonicContact OD1-CZ 3.5Å; D535-R537 IonicContact OD1-NE 2.81Å; D535-R537 IonicContact OD1-NH2 3.82Å; D535-R537 PolarHBondContact OD1-NH2 3.36Å; D535-R537 VanDerWaalsContact OD2-CA 3.27Å; D535-R537 WeakPolarHBondContact OD2-CA 3.45Å; D535-R537 WeakPolarHBondContact OD2-CB 3.33Å; D535-R537 WeakPolarHBondContact OD2-CG 3.15Å; D535-R537 IonicContact OD2-CZ 2.71Å; D535-R537 PolarHBondContact OD2-N 2.71Å; D535-R537 IonicContact OD2-NE 3.67Å; D535-R537 PolarHBondContact OD2-NE 2.89Å; D535-R537 IonicContact OD2-NH2 3.31Å; D535-R537 PolarHBondContact OD2-NH2 3.4Å; R537-N539 PolarHBondContact O-N 2.8Å; R537-F540 WeakPolarHBondContact O-CD2 3.46Å; R537-F540 WeakPolarHBondContact O-CE2 3.23Å; R537-L565 PolarHBondContact NH2-O 3.31Å
538	E	70	Confident	75.4	Confident	31 Å²	31	51.2 Å²	51.2	15%	0.145	26%	0.26	C	S	.	.			trans	-67.7	57.4	160.3	-81.6	-62.9	94.6	0	0	110.2	D535 D569 F570 R594	D535-E538 HydrophobicContact CB-CG 4.36Å; D535-E538 WeakPolarHBondContact O-CB 3.02Å; D535-E538 PolarHBondContact O-N 3.05Å; E538-D569 HydrophobicContact CG-CB 3.67Å; E538-F570 HydrophobicContact CG-CZ 4.33Å; E538-R594 IonicContact OE2-NH1 2.92Å; E538-R594 PolarHBondContact OE2-NH1 3.39Å
539	N	54.9	Low	74.7	Confident	75 Å²	75	51 Å²	51	40%	0.401	26%	0.259	S	S	.	.			trans	-134.5	64.6	-176.8	-79.6	-3.4	0	0	0	108.7	V536 R537 N543 R546	V536-N539 PolarHBondContact O-ND2 2.86Å; R537-N539 PolarHBondContact O-N 2.8Å; N539-N543 WeakPolarHBondContact CA-ND2 3.37Å; N539-N543 VanDerWaalsContact CA-OD1 3.26Å; N539-N543 WeakPolarHBondContact CA-OD1 3.39Å; N539-N543 WeakPolarHBondContact CB-ND2 3.31Å; N539-N543 VanDerWaalsContact CG-ND2 3.26Å; N539-N543 PolarHBondContact OD1-ND2 2.96Å; N539-R546 PolarHBondContact ND2-NH1 3.4Å; N539-R546 WeakPolarHBondContact OD1-CD 3.4Å; N539-R546 PolarHBondContact OD1-NH1 2.8Å
540	F	48.9	Very low	73.9	Confident	154 Å²	154	50.9 Å²	50.9	68%	0.675	27%	0.265	S	S	*	.	S	Bend	trans	-130.9	108.5	173	-72.6	-80.7	0	0	0	110.9	R537 N543	R537-F540 WeakPolarHBondContact O-CD2 3.46Å; R537-F540 WeakPolarHBondContact O-CE2 3.23Å; F540-N543 PolarHBondContact N-OD1 3.5Å; F540-N543 VanDerWaalsContact N-OD1 3.12Å
541	G	49	Very low	73	Confident	50 Å²	50	54 Å²	54	52%	0.515	28%	0.284	S	S	.	.	S	Bend	trans	73.9	102.5	172.6	0	0	0	0	0	114.4	N543	G541-N543 PolarHBondContact O-N 2.85Å
542	S	52.6	Low	72	Confident	97 Å²	97	55.5 Å²	55.5	68%	0.678	29%	0.294	S	S	*	.	S	Bend	trans	35.8	70.7	177	59.9	0	0	0	0	113.4	K544	S542-K544 WeakPolarHBondContact O-CG 3.47Å; S542-K544 PolarHBondContact O-N 2.85Å
543	N	56.2	Low	71.3	Confident	41 Å²	41	55.6 Å²	55.6	22%	0.219	29%	0.294	C	S	.	.			trans	-60.2	63.5	-170.1	-57	-23.4	0	0	0	115	N539 F540 G541 V545 R546 Q547	N539-N543 WeakPolarHBondContact CA-ND2 3.37Å; N539-N543 VanDerWaalsContact CA-OD1 3.26Å; N539-N543 WeakPolarHBondContact CA-OD1 3.39Å; N539-N543 WeakPolarHBondContact CB-ND2 3.31Å; N539-N543 VanDerWaalsContact CG-ND2 3.26Å; N539-N543 PolarHBondContact OD1-ND2 2.96Å; F540-N543 PolarHBondContact N-OD1 3.5Å; F540-N543 VanDerWaalsContact N-OD1 3.12Å; G541-N543 PolarHBondContact O-N 2.85Å; N543-V545 VanDerWaalsContact C-N 3.32Å; N543-V545 PolarHBondContact O-N 3.26Å; N543-R546 HydrophobicContact CB-CB 4.46Å; N543-Q547 VanDerWaalsContact O-CB 3.31Å; N543-Q547 WeakPolarHBondContact O-CB 3.48Å; N543-Q547 VanDerWaalsContact O-CD 3.31Å; N543-Q547 WeakPolarHBondContact O-CG 3.28Å; N543-Q547 PolarHBondContact O-N 2.93Å; N543-Q547 VanDerWaalsContact O-N 3.1Å
544	K	64.8	Low	70.6	Confident	100 Å²	100	62.9 Å²	62.9	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-68	-35.5	-179.9	-71	173.7	177.2	-174.8	0	110.4	S542 Q547 M548 H665	S542-K544 WeakPolarHBondContact O-CG 3.47Å; S542-K544 PolarHBondContact O-N 2.85Å; K544-Q547 PolarHBondContact O-N 2.66Å; K544-M548 HydrophobicContact CB-CE 4.48Å; K544-M548 WeakPolarHBondContact O-CB 3.34Å; K544-M548 WeakPolarHBondContact O-CG 3.37Å; K544-M548 PolarHBondContact O-N 3.05Å; K544-H665 VanDerWaalsContact CB-CE1 3.48Å; K544-H665 WeakPolarHBondContact CB-CE1 3.45Å; K544-H665 WeakPolarHBondContact CD-CE1 3.38Å; K544-H665 WeakPolarHBondContact CD-NE2 3.44Å
545	V	64.9	Low	69.9	Low	10 Å²	10	71 Å²	71	6%	0.061	36%	0.363	C	S	.	.	H	α-helix	trans	-54.3	-62	174.3	-177.9	0	0	0	0	111	N543 Q547 M548 L549 F570 H665 T668 V669	N543-V545 VanDerWaalsContact C-N 3.32Å; N543-V545 PolarHBondContact O-N 3.26Å; V545-Q547 VanDerWaalsContact C-N 3.26Å; V545-Q547 PolarHBondContact O-N 3.07Å; V545-M548 PolarHBondContact O-N 3.29Å; V545-L549 HydrophobicContact CG1-CD1 4.4Å; V545-L549 HydrophobicContact CG1-CG 4.36Å; V545-L549 WeakPolarHBondContact O-CG 3.39Å; V545-L549 PolarHBondContact O-N 3.36Å; V545-F570 HydrophobicContact CG1-CZ 4.2Å; V545-H665 HydrophobicContact CG2-CB 3.35Å; V545-T668 HydrophobicContact CG1-CG2 4.15Å; V545-T668 HydrophobicContact CG2-CG2 4.27Å; V545-V669 HydrophobicContact CB-CG2 4.37Å; V545-V669 HydrophobicContact CG1-CG2 3.77Å
546	R	69.7	Low	69.1	Low	68 Å²	68	73 Å²	73	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-32.5	-177.2	-172.4	178.5	177.8	176.7	4.6	113	V536 N539 N543 P550 S562	V536-R546 PolarHBondContact O-NH1 3.17Å; N539-R546 PolarHBondContact ND2-NH1 3.4Å; N539-R546 WeakPolarHBondContact OD1-CD 3.4Å; N539-R546 PolarHBondContact OD1-NH1 2.8Å; N543-R546 HydrophobicContact CB-CB 4.46Å; R546-P550 WeakPolarHBondContact O-CD 3.06Å; R546-S562 PolarHBondContact NH2-OG 3.1Å; R546-S562 VanDerWaalsContact NH2-OG 3.17Å
547	Q	70.7	Confident	69	Low	133 Å²	133	77.1 Å²	77.1	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-71.4	-33.3	175.5	-70.8	170	20.3	0	0	112.3	N543 K544 V545	N543-Q547 VanDerWaalsContact O-CB 3.31Å; N543-Q547 WeakPolarHBondContact O-CB 3.48Å; N543-Q547 VanDerWaalsContact O-CD 3.31Å; N543-Q547 WeakPolarHBondContact O-CG 3.28Å; N543-Q547 PolarHBondContact O-N 2.93Å; N543-Q547 VanDerWaalsContact O-N 3.1Å; K544-Q547 PolarHBondContact O-N 2.66Å; V545-Q547 VanDerWaalsContact C-N 3.26Å; V545-Q547 PolarHBondContact O-N 3.07Å
548	M	70.3	Confident	69.3	Low	42 Å²	42	71.5 Å²	71.5	21%	0.207	38%	0.376	C	S	.	.	H	α-helix	trans	-82.9	-26.4	179	-70.2	-179.5	-37.2	0	0	113	K544 V545 T551 V552 H665 E666 V669	K544-M548 HydrophobicContact CB-CE 4.48Å; K544-M548 WeakPolarHBondContact O-CB 3.34Å; K544-M548 WeakPolarHBondContact O-CG 3.37Å; K544-M548 PolarHBondContact O-N 3.05Å; V545-M548 PolarHBondContact O-N 3.29Å; M548-T551 PolarHBondContact O-N 3.06Å; M548-T551 VanDerWaalsContact O-N 3.17Å; M548-V552 PolarHBondContact O-N 3.24Å; M548-H665 HydrophobicContact CE-CB 4.31Å; M548-H665 WeakPolarHBondContact CE-ND1 3.44Å; M548-H665 WeakPolarHBondContact CE-O 3.5Å; M548-E666 HydrophobicContact CE-CB 4.49Å; M548-E666 HydrophobicContact CE-CG 4.07Å; M548-E666 HydrophobicContact SD-CG 4Å; M548-V669 HydrophobicContact CB-CG2 4.22Å; M548-V669 HydrophobicContact CE-CB 4.42Å; M548-V669 HydrophobicContact CE-CG2 3.79Å
549	L	78.1	Confident	70.2	Confident	4 Å²	4	74.8 Å²	74.8	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-51.3	-55.3	-179.1	-82.1	175.7	0	0	0	112	L532 A534 V545 T551 V552 F553 F570 V669 L672	L532-L549 HydrophobicContact CD2-CD2 4.49Å; A534-L549 HydrophobicContact CB-CD1 4.27Å; V545-L549 HydrophobicContact CG1-CD1 4.4Å; V545-L549 HydrophobicContact CG1-CG 4.36Å; V545-L549 WeakPolarHBondContact O-CG 3.39Å; V545-L549 PolarHBondContact O-N 3.36Å; L549-T551 VanDerWaalsContact C-N 3.31Å; L549-T551 PolarHBondContact O-N 3.38Å; L549-V552 PolarHBondContact O-N 3.4Å; L549-F553 HydrophobicContact CD2-CD2 3.83Å; L549-F553 HydrophobicContact CD2-CE2 3.31Å; L549-F553 HydrophobicContact CD2-CZ 3.73Å; L549-F553 WeakPolarHBondContact O-CB 3.44Å; L549-F553 WeakPolarHBondContact O-CD2 3.47Å; L549-F553 WeakPolarHBondContact O-CG 3.34Å; L549-F553 PolarHBondContact O-N 2.8Å; L549-F570 HydrophobicContact CD1-CE1 3.86Å; L549-V669 HydrophobicContact CD2-CG1 4.24Å; L549-V669 HydrophobicContact CD2-CG2 4.22Å; L549-V669 HydrophobicContact CG-CG2 4.39Å; L549-L672 HydrophobicContact CD2-CD1 4.22Å
550	P	77.8	Confident	71.9	Confident	68 Å²	68	73.4 Å²	73.4	44%	0.442	38%	0.383	S	S	.	.	H	α-helix	trans	-54.7	-46	178.7	-25.5	33.6	0	0	0	112.9	R546 V552 F553 E554	R546-P550 WeakPolarHBondContact O-CD 3.06Å; P550-V552 PolarHBondContact O-N 3.4Å; P550-F553 PolarHBondContact O-N 2.86Å; P550-E554 VanDerWaalsContact O-CB 3.28Å; P550-E554 WeakPolarHBondContact O-CB 3.27Å; P550-E554 VanDerWaalsContact O-CG 3.24Å; P550-E554 WeakPolarHBondContact O-CG 3.24Å; P550-E554 PolarHBondContact O-N 3.24Å
551	T	74.7	Confident	73.9	Confident	73 Å²	73	68.7 Å²	68.7	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-65.7	-42.4	-176.5	-52.2	0	0	0	0	112.9	M548 L549 K555	M548-T551 PolarHBondContact O-N 3.06Å; M548-T551 VanDerWaalsContact O-N 3.17Å; L549-T551 VanDerWaalsContact C-N 3.31Å; L549-T551 PolarHBondContact O-N 3.38Å; T551-K555 WeakPolarHBondContact O-CD 3.42Å; T551-K555 VanDerWaalsContact O-CG 3.23Å; T551-K555 WeakPolarHBondContact O-CG 3.41Å; T551-K555 PolarHBondContact O-N 2.85Å
552	V	73.8	Confident	75.8	Confident	33 Å²	33	69.2 Å²	69.2	20%	0.2	36%	0.359	C	S	.	.	H	α-helix	trans	-74.8	-37.3	179	177.6	0	0	0	0	110.5	M548 L549 P550 K555 C556 V669 A673	M548-V552 PolarHBondContact O-N 3.24Å; L549-V552 PolarHBondContact O-N 3.4Å; P550-V552 PolarHBondContact O-N 3.4Å; V552-K555 WeakPolarHBondContact O-CB 3.17Å; V552-K555 PolarHBondContact O-N 2.88Å; V552-C556 WeakPolarHBondContact O-CB 3.39Å; V552-C556 PolarHBondContact O-N 3.48Å; V552-C556 PolarHBondContact O-SG 3.39Å; V552-C556 VanDerWaalsContact O-SG 3.4Å; V552-V669 HydrophobicContact CB-CG1 3.69Å; V552-V669 HydrophobicContact CG1-CG1 3.88Å; V552-V669 HydrophobicContact CG2-CG1 3.69Å; V552-A673 HydrophobicContact CG1-CB 4.32Å
553	F	78.8	Confident	77.6	Confident	3 Å²	3	67.6 Å²	67.6	1%	0.013	34%	0.338	C	S	.	.	H	α-helix	trans	-75.1	-36.4	-175.4	-82.3	-125.3	0	0	0	112.1	L532 L549 P550 K555 C556 N557 I558 C560 V669 L672 A673	L532-F553 HydrophobicContact CB-CE1 4.03Å; L532-F553 HydrophobicContact CD2-CD1 4.35Å; L532-F553 HydrophobicContact CD2-CE1 3.26Å; L532-F553 HydrophobicContact CD2-CZ 3.4Å; L532-F553 VanDerWaalsContact CD2-CZ 3.4Å; L532-F553 HydrophobicContact CG-CE1 4.26Å; L549-F553 HydrophobicContact CD2-CD2 3.83Å; L549-F553 HydrophobicContact CD2-CE2 3.31Å; L549-F553 HydrophobicContact CD2-CZ 3.73Å; L549-F553 WeakPolarHBondContact O-CB 3.44Å; L549-F553 WeakPolarHBondContact O-CD2 3.47Å; L549-F553 WeakPolarHBondContact O-CG 3.34Å; L549-F553 PolarHBondContact O-N 2.8Å; P550-F553 PolarHBondContact O-N 2.86Å; F553-K555 VanDerWaalsContact C-N 3.32Å; F553-K555 PolarHBondContact O-N 3.18Å; F553-C556 CarbonylContact O-C 3.57Å; F553-C556 PolarHBondContact O-N 3.2Å; F553-N557 PolarHBondContact O-N 2.85Å; F553-I558 HydrophobicContact CB-CB 4.27Å; F553-I558 WeakPolarHBondContact CB-O 3.48Å; F553-I558 HydrophobicContact CD1-CB 3.53Å; F553-I558 HydrophobicContact CD1-CD1 4.46Å; F553-I558 HydrophobicContact CD1-CG2 3.34Å; F553-I558 HydrophobicContact CE1-CB 4.02Å; F553-I558 HydrophobicContact CE1-CD1 4.42Å; F553-I558 HydrophobicContact CE1-CG2 3.41Å; F553-I558 VanDerWaalsContact CE1-CG2 3.41Å; F553-I558 HydrophobicContact CG-CB 4.09Å; F553-I558 HydrophobicContact CG-CG2 4.35Å; F553-I558 HydrophobicContact CZ-CG2 4.46Å; F553-I558 PolarHBondContact O-N 3.02Å; F553-C560 HydrophobicContact CD1-CB 3.61Å; F553-C560 HydrophobicContact CE1-CB 4.13Å; F553-C560 HydrophobicContact CG-CB 4.31Å; F553-V669 HydrophobicContact CE2-CG1 4.41Å; F553-L672 HydrophobicContact CZ-CB 4.25Å; F553-A673 HydrophobicContact CE2-CB 4.08Å
554	E	79.6	Confident	79.2	Confident	153 Å²	153	69 Å²	69	72%	0.715	36%	0.355	S	S	*	.	H	α-helix	trans	-58.8	-45.3	168.1	-77.6	172.3	-169.8	0	0	110.9	P550 C556 N557	P550-E554 VanDerWaalsContact O-CB 3.28Å; P550-E554 WeakPolarHBondContact O-CB 3.27Å; P550-E554 VanDerWaalsContact O-CG 3.24Å; P550-E554 WeakPolarHBondContact O-CG 3.24Å; P550-E554 PolarHBondContact O-N 3.24Å; E554-C556 VanDerWaalsContact C-N 3.32Å; E554-C556 PolarHBondContact O-N 3.22Å; E554-N557 PolarHBondContact O-N 2.81Å
555	K	77.5	Confident	80.6	Confident	171 Å²	171	64.4 Å²	64.4	74%	0.743	34%	0.335	S	S	*	.	H	α-helix	trans	-63.6	-35.9	177.1	-73.3	174.9	-178.1	-175.1	0	113.1	T551 V552 F553	T551-K555 WeakPolarHBondContact O-CD 3.42Å; T551-K555 VanDerWaalsContact O-CG 3.23Å; T551-K555 WeakPolarHBondContact O-CG 3.41Å; T551-K555 PolarHBondContact O-N 2.85Å; V552-K555 WeakPolarHBondContact O-CB 3.17Å; V552-K555 PolarHBondContact O-N 2.88Å; F553-K555 VanDerWaalsContact C-N 3.32Å; F553-K555 PolarHBondContact O-N 3.18Å
556	C	76	Confident	81.9	Confident	44 Å²	44	65.2 Å²	65.2	30%	0.297	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.9	-179.7	-67	0	0	0	0	113.9	V552 F553 E554 I558 R677	V552-C556 WeakPolarHBondContact O-CB 3.39Å; V552-C556 PolarHBondContact O-N 3.48Å; V552-C556 PolarHBondContact O-SG 3.39Å; V552-C556 VanDerWaalsContact O-SG 3.4Å; F553-C556 CarbonylContact O-C 3.57Å; F553-C556 PolarHBondContact O-N 3.2Å; E554-C556 VanDerWaalsContact C-N 3.32Å; E554-C556 PolarHBondContact O-N 3.22Å; C556-I558 HydrophobicContact CB-CD1 3.53Å; C556-I558 HydrophobicContact CB-CG1 3.85Å; C556-I558 PolarHBondContact O-N 2.95Å; C556-R677 PolarHBondContact SG-NH1 2.99Å
557	N	81.9	Confident	83	Confident	140 Å²	140	62.2 Å²	62.2	75%	0.749	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.1	-174	-162.9	31.7	0	0	0	113.7	F553 E554	F553-N557 PolarHBondContact O-N 2.85Å; E554-N557 PolarHBondContact O-N 2.81Å
558	I	84.7	Confident	84.1	Confident	11 Å²	11	56 Å²	56	6%	0.056	30%	0.302	C	S	.	.			trans	-103.9	131.7	177.3	-55.7	161.3	0	0	0	108.1	F553 C556 A673 R677	F553-I558 HydrophobicContact CB-CB 4.27Å; F553-I558 WeakPolarHBondContact CB-O 3.48Å; F553-I558 HydrophobicContact CD1-CB 3.53Å; F553-I558 HydrophobicContact CD1-CD1 4.46Å; F553-I558 HydrophobicContact CD1-CG2 3.34Å; F553-I558 HydrophobicContact CE1-CB 4.02Å; F553-I558 HydrophobicContact CE1-CD1 4.42Å; F553-I558 HydrophobicContact CE1-CG2 3.41Å; F553-I558 VanDerWaalsContact CE1-CG2 3.41Å; F553-I558 HydrophobicContact CG-CB 4.09Å; F553-I558 HydrophobicContact CG-CG2 4.35Å; F553-I558 HydrophobicContact CZ-CG2 4.46Å; F553-I558 PolarHBondContact O-N 3.02Å; C556-I558 HydrophobicContact CB-CD1 3.53Å; C556-I558 HydrophobicContact CB-CG1 3.85Å; C556-I558 PolarHBondContact O-N 2.95Å; I558-A673 HydrophobicContact CD1-CB 3.9Å; I558-A673 WeakPolarHBondContact CD1-O 3.32Å; I558-R677 HydrophobicContact CD1-CG 4.09Å; I558-R677 HydrophobicContact CG1-CG 4.41Å
559	R	89.3	Confident	85.2	Confident	101 Å²	101	54.9 Å²	54.9	38%	0.381	30%	0.297	S	S	.	.			trans	-87.3	130.5	175.1	-70.3	-171.4	-61.1	131.3	32.7	111	E529 I531 L532	E529-R559 VanDerWaalsContact CB-NH2 3.29Å; E529-R559 IonicContact OE1-CZ 2.9Å; E529-R559 VanDerWaalsContact OE1-CZ 3.3Å; E529-R559 IonicContact OE1-NH1 2.85Å; E529-R559 PolarHBondContact OE1-NH1 2.87Å; E529-R559 IonicContact OE1-NH2 2.82Å; E529-R559 PolarHBondContact OE1-NH2 2.8Å; E529-R559 IonicContact OE2-CZ 3.28Å; E529-R559 IonicContact OE2-NH1 3.29Å; E529-R559 PolarHBondContact OE2-NH1 2.79Å; E529-R559 IonicContact OE2-NH2 2.82Å; E529-R559 PolarHBondContact OE2-NH2 2.93Å; I531-R559 HydrophobicContact CG1-CB 4.37Å; L532-R559 PolarHBondContact N-O 2.87Å
560	C	90.1	Very high	86	Confident	45 Å²	45	54.8 Å²	54.8	30%	0.304	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.8	177.4	-178.9	0	0	0	0	110.6	L532 F553	L532-C560 HydrophobicContact CB-CB 4.39Å; L532-C560 CarbonylContact O-C 3.49Å; L532-C560 VanDerWaalsContact O-CA 3.24Å; L532-C560 WeakPolarHBondContact O-CA 3.31Å; F553-C560 HydrophobicContact CD1-CB 3.61Å; F553-C560 HydrophobicContact CE1-CB 4.13Å; F553-C560 HydrophobicContact CG-CB 4.31Å
561	E	90.6	Very high	86.8	Confident	56 Å²	56	51.6 Å²	51.6	26%	0.262	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.2	174.2	-68.1	177.8	-164.2	0	0	110.4	I531 L532 L533 A534 R563 R575	I531-E561 HydrophobicContact CG2-CB 4.39Å; I531-E561 HydrophobicContact CG2-CG 4.02Å; L532-E561 PolarHBondContact O-N 3.15Å; L533-E561 WeakPolarHBondContact CA-O 3.32Å; L533-E561 HydrophobicContact CD2-CB 3.74Å; A534-E561 PolarHBondContact N-O 3.5Å; E561-R563 IonicContact OE2-CZ 3.6Å; E561-R563 VanDerWaalsContact OE2-CZ 3.29Å; E561-R563 IonicContact OE2-NE 2.83Å; E561-R563 PolarHBondContact OE2-NE 3.04Å; E561-R563 IonicContact OE2-NH2 2.86Å; E561-R563 PolarHBondContact OE2-NH2 3.26Å; E561-R575 IonicContact OE1-CZ 2.76Å; E561-R575 IonicContact OE1-NH1 3.64Å; E561-R575 PolarHBondContact OE1-NH1 2.91Å; E561-R575 IonicContact OE1-NH2 3.04Å; E561-R575 PolarHBondContact OE1-NH2 2.69Å; E561-R575 IonicContact OE2-CZ 2.7Å; E561-R575 IonicContact OE2-NH2 2.84Å; E561-R575 PolarHBondContact OE2-NH2 3.11Å
562	S	89	Confident	87.9	Confident	61 Å²	61	48.1 Å²	48.1	43%	0.427	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.1	169.2	-66.2	0	0	0	0	110.2	A534 R546	A534-S562 WeakPolarHBondContact O-CA 3.5Å; R546-S562 PolarHBondContact NH2-OG 3.1Å; R546-S562 VanDerWaalsContact NH2-OG 3.17Å
563	R	90.2	Very high	88.9	Confident	62 Å²	62	46.6 Å²	46.6	23%	0.234	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158	176.6	-65.8	-171.3	-175.9	-170.3	-7.6	110.8	L533 A534 D535 V536 E561 L565 E585	L533-R563 HydrophobicContact CD2-CG 4.23Å; A534-R563 PolarHBondContact O-N 3.48Å; A534-R563 VanDerWaalsContact O-O 3.13Å; D535-R563 CarbonylContact C-O 3.49Å; D535-R563 VanDerWaalsContact CA-O 3.23Å; D535-R563 WeakPolarHBondContact CA-O 3.44Å; V536-R563 PolarHBondContact N-O 2.94Å; E561-R563 IonicContact OE2-CZ 3.6Å; E561-R563 VanDerWaalsContact OE2-CZ 3.29Å; E561-R563 IonicContact OE2-NE 2.83Å; E561-R563 PolarHBondContact OE2-NE 3.04Å; E561-R563 IonicContact OE2-NH2 2.86Å; E561-R563 PolarHBondContact OE2-NH2 3.26Å; R563-L565 HydrophobicContact CB-CD2 4.38Å; R563-L565 PolarHBondContact O-N 3.42Å; R563-E585 IonicContact CZ-OE1 3.58Å; R563-E585 IonicContact CZ-OE2 2.93Å; R563-E585 IonicContact NH1-OE1 3.77Å; R563-E585 PolarHBondContact NH1-OE1 3.15Å; R563-E585 IonicContact NH1-OE2 3.07Å; R563-E585 PolarHBondContact NH1-OE2 3.1Å; R563-E585 IonicContact NH2-OE1 3.95Å; R563-E585 PolarHBondContact NH2-OE1 2.88Å; R563-E585 IonicContact NH2-OE2 2.7Å
564	A	91.1	Very high	89.8	Confident	71 Å²	71	46.4 Å²	46.4	59%	0.587	24%	0.244	S	C	*	.			trans	-79.3	109.8	170.1	0	0	0	0	0	108.8	V536	V536-A564 HydrophobicContact CG2-CB 3.84Å
565	L	93.6	Very high	90.5	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.215	C	C	.	.			trans	-87	139.4	-180	-57.4	-176	0	0	0	109.9	L533 D535 R537 R563 V567 L571 W709	L533-L565 HydrophobicContact CB-CD2 4.09Å; L533-L565 HydrophobicContact CD1-CD2 4.13Å; D535-L565 HydrophobicContact CB-CB 4.23Å; D535-L565 HydrophobicContact CB-CD1 4.08Å; D535-L565 HydrophobicContact CB-CG 4.06Å; D535-L565 WeakPolarHBondContact OD1-CA 3.26Å; D535-L565 WeakPolarHBondContact OD1-CB 3.48Å; D535-L565 PolarHBondContact OD1-N 3.11Å; R537-L565 PolarHBondContact NH2-O 3.31Å; R563-L565 HydrophobicContact CB-CD2 4.38Å; R563-L565 PolarHBondContact O-N 3.42Å; L565-V567 VanDerWaalsContact C-N 3.27Å; L565-V567 PolarHBondContact O-N 3.4Å; L565-L571 HydrophobicContact CD1-CD2 4.05Å; L565-L571 HydrophobicContact CD1-CG 4.03Å; L565-L571 HydrophobicContact CD2-CD2 4.13Å; L565-L571 HydrophobicContact CD2-CG 4.34Å; L565-W709 HydrophobicContact CD2-CH2 4.13Å
566	P	92.3	Very high	91.3	Very high	27 Å²	27	33 Å²	33	18%	0.175	18%	0.182	C	C	.	.	S	Bend	trans	-69.5	-26.9	176	29	-35.6	0	0	0	112.1	R615 F712 V713 A716	P566-R615 PolarHBondContact O-NH2 2.89Å; P566-F712 HydrophobicContact CG-CD1 4.11Å; P566-F712 HydrophobicContact CG-CE1 3.53Å; P566-F712 HydrophobicContact CG-CZ 4.19Å; P566-V713 HydrophobicContact CG-CG2 4.32Å; P566-A716 HydrophobicContact CB-CB 3.61Å; P566-A716 HydrophobicContact CG-CB 3.49Å; P566-A716 VanDerWaalsContact CG-CB 3.49Å
567	V	93.5	Very high	92.2	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	20%	0.199	C	C	.	.	S	Bend	trans	-157.9	152.7	176.4	69.8	0	0	0	0	109.2	L565 I591 R615 L616 T619 F712 A716	L565-V567 VanDerWaalsContact C-N 3.27Å; L565-V567 PolarHBondContact O-N 3.4Å; V567-I591 HydrophobicContact CG1-CD1 3.96Å; V567-R615 HydrophobicContact CG2-CB 3.81Å; V567-L616 HydrophobicContact CG2-CD2 3.9Å; V567-L616 HydrophobicContact CG2-CG 4.11Å; V567-T619 HydrophobicContact CG1-CG2 3.59Å; V567-F712 HydrophobicContact CG1-CE2 4.14Å; V567-F712 HydrophobicContact CG1-CZ 3.87Å; V567-A716 HydrophobicContact CB-CB 4.07Å; V567-A716 HydrophobicContact CG1-CB 3.43Å; V567-A716 VanDerWaalsContact CG1-CB 3.43Å
568	G	93.5	Very high	92.6	Very high	4 Å²	4	35.1 Å²	35.1	4%	0.041	18%	0.178	C	C	.	.			trans	78	160.2	-175.4	0	0	0	0	0	113.1	E593	G568-E593 WeakPolarHBondContact CA-OE2 3.49Å
569	D	92.8	Very high	92.7	Very high	18 Å²	18	44.7 Å²	44.7	10%	0.096	22%	0.222	C	C	.	.	S	Bend	trans	-101.5	-32.9	-178.7	-60.1	-40.8	0	0	0	111.2	D535 E538 V592 E593 R594	D535-D569 PolarHBondContact N-O 3.12Å; E538-D569 HydrophobicContact CG-CB 3.67Å; D569-V592 PolarHBondContact N-O 2.77Å; D569-E593 WeakPolarHBondContact OD2-CA 3.41Å; D569-R594 HydrophobicContact CB-CB 4.41Å; D569-R594 PolarHBondContact OD2-N 2.91Å
570	F	94.7	Very high	92.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.5	172	-48.7	-83.4	0	0	0	111	L532 L533 A534 E538 V545 L549 V592 R594 L672	L532-F570 HydrophobicContact CD1-CB 4.12Å; L533-F570 VanDerWaalsContact O-CA 3.31Å; L533-F570 WeakPolarHBondContact O-CA 2.93Å; A534-F570 HydrophobicContact CB-CD1 3.78Å; A534-F570 HydrophobicContact CB-CE1 3.77Å; E538-F570 HydrophobicContact CG-CZ 4.33Å; V545-F570 HydrophobicContact CG1-CZ 4.2Å; L549-F570 HydrophobicContact CD1-CE1 3.86Å; F570-V592 HydrophobicContact CB-CB 4.06Å; F570-V592 HydrophobicContact CB-CG2 4.37Å; F570-V592 HydrophobicContact CD2-CB 4.24Å; F570-V592 HydrophobicContact CD2-CG1 4.26Å; F570-V592 PolarHBondContact N-O 3.05Å; F570-V592 VanDerWaalsContact N-O 3.08Å; F570-V592 PolarHBondContact O-N 3.16Å; F570-R594 HydrophobicContact CE2-CB 4.16Å; F570-L672 HydrophobicContact CB-CD2 4.22Å; F570-L672 HydrophobicContact CD1-CD1 4.06Å; F570-L672 HydrophobicContact CD2-CD1 4.08Å; F570-L672 HydrophobicContact CD2-CD2 4.12Å; F570-L672 HydrophobicContact CE1-CD1 3.95Å; F570-L672 HydrophobicContact CE2-CD1 3.96Å; F570-L672 HydrophobicContact CG-CD1 4.13Å; F570-L672 HydrophobicContact CG-CD2 4.06Å; F570-L672 HydrophobicContact CZ-CD1 3.9Å
571	L	95.7	Very high	92.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	165	169.8	63.6	79.4	0	0	0	110	L533 L565 I573 V587 I591 W709 F712	L533-L571 HydrophobicContact CB-CD1 4.03Å; L533-L571 HydrophobicContact CB-CG 4.36Å; L533-L571 HydrophobicContact CD1-CD1 3.82Å; L533-L571 HydrophobicContact CG-CD1 4.1Å; L533-L571 PolarHBondContact N-O 3.38Å; L533-L571 PolarHBondContact O-N 3.13Å; L533-L571 VanDerWaalsContact O-N 3.09Å; L565-L571 HydrophobicContact CD1-CD2 4.05Å; L565-L571 HydrophobicContact CD1-CG 4.03Å; L565-L571 HydrophobicContact CD2-CD2 4.13Å; L565-L571 HydrophobicContact CD2-CG 4.34Å; L571-I573 HydrophobicContact CD1-CG2 3.63Å; L571-V587 HydrophobicContact CD1-CG1 4.12Å; L571-V587 HydrophobicContact CD1-CG2 4.45Å; L571-V587 HydrophobicContact CD2-CG1 4.32Å; L571-I591 HydrophobicContact CB-CB 4.41Å; L571-I591 HydrophobicContact CB-CG1 4.24Å; L571-I591 HydrophobicContact CD2-CD1 4.44Å; L571-W709 HydrophobicContact CD1-CZ3 4.49Å; L571-F712 HydrophobicContact CD2-CE1 3.71Å; L571-F712 HydrophobicContact CD2-CE2 4.37Å; L571-F712 HydrophobicContact CD2-CZ 3.49Å; L571-F712 VanDerWaalsContact CD2-CZ 3.49Å
572	W	96.5	Very high	92.7	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.2	176.4	-65.8	-98.9	0	0	0	110.8	I530 I531 L532 L588 Q590 V592 L672 L675 S676 L679	I530-W572 HydrophobicContact CG2-CB 4.21Å; I530-W572 HydrophobicContact CG2-CG 4.41Å; I531-W572 WeakPolarHBondContact O-CA 3.29Å; L532-W572 HydrophobicContact CD1-CD2 3.94Å; L532-W572 VanDerWaalsContact CD1-CE2 3.49Å; L532-W572 HydrophobicContact CD1-CG 4.32Å; L532-W572 HydrophobicContact CD1-CH2 4.37Å; L532-W572 HydrophobicContact CD1-CZ2 3.73Å; W572-L588 HydrophobicContact CB-CB 4.37Å; W572-L588 HydrophobicContact CB-CD1 3.83Å; W572-L588 WeakPolarHBondContact O-CD1 3.42Å; W572-L588 PolarHBondContact O-N 2.9Å; W572-Q590 HydrophobicContact CE3-CB 3.49Å; W572-Q590 VanDerWaalsContact CE3-CB 3.49Å; W572-Q590 HydrophobicContact CZ3-CB 3.66Å; W572-V592 HydrophobicContact CH2-CG2 3.82Å; W572-V592 HydrophobicContact CZ3-CG2 3.75Å; W572-L672 HydrophobicContact CH2-CD2 4.32Å; W572-L675 HydrophobicContact CH2-CB 3.92Å; W572-L675 HydrophobicContact CH2-CD1 3.92Å; W572-L675 HydrophobicContact CZ2-CB 3.69Å; W572-L675 HydrophobicContact CZ2-CD1 4.48Å; W572-S676 PolarHBondContact NE1-OG 3.33Å; W572-L679 HydrophobicContact CB-CD1 3.99Å; W572-L679 HydrophobicContact CD2-CD1 3.43Å; W572-L679 VanDerWaalsContact CD2-CD1 3.43Å; W572-L679 HydrophobicContact CE3-CD1 3.97Å; W572-L679 HydrophobicContact CG-CD1 3.43Å; W572-L679 VanDerWaalsContact CG-CD1 3.43Å; W572-L679 HydrophobicContact CZ2-CD1 4.44Å
573	I	96.3	Very high	92.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147	170.5	63.7	166.2	0	0	0	110.7	I530 I531 L533 L571 E585 A586 V587 W709	I530-I573 WeakPolarHBondContact CA-O 3.35Å; I531-I573 HydrophobicContact CB-CD1 4.48Å; I531-I573 HydrophobicContact CB-CG1 3.93Å; I531-I573 HydrophobicContact CD1-CD1 4.41Å; I531-I573 PolarHBondContact N-O 2.74Å; I531-I573 PolarHBondContact O-N 3.35Å; L533-I573 HydrophobicContact CD1-CD1 4.14Å; L533-I573 HydrophobicContact CD1-CG1 4.3Å; L533-I573 HydrophobicContact CD1-CG2 3.54Å; L533-I573 HydrophobicContact CD2-CD1 4.04Å; L533-I573 HydrophobicContact CD2-CG1 4.27Å; L533-I573 HydrophobicContact CG-CD1 4.24Å; L533-I573 HydrophobicContact CG-CG1 4.11Å; L533-I573 HydrophobicContact CG-CG2 4.01Å; L571-I573 HydrophobicContact CD1-CG2 3.63Å; I573-E585 HydrophobicContact CD1-CB 4.49Å; I573-E585 HydrophobicContact CD1-CG 4.18Å; I573-E585 WeakPolarHBondContact CD1-OE1 3.49Å; I573-A586 CarbonylContact C-O 3.52Å; I573-A586 WeakPolarHBondContact CA-O 3.47Å; I573-A586 WeakPolarHBondContact CB-O 3.16Å; I573-V587 HydrophobicContact CG2-CG2 4.17Å; I573-W709 HydrophobicContact CG2-CE3 4.12Å; I573-W709 HydrophobicContact CG2-CZ3 4.01Å
574	A	96	Very high	93	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.4	161.8	0	0	0	0	0	108.4	Y528 E529 E585 A586 L588 L687	Y528-A574 HydrophobicContact CD2-CB 3.87Å; Y528-A574 HydrophobicContact CE2-CB 4.46Å; E529-A574 WeakPolarHBondContact O-CA 3.36Å; A574-E585 WeakPolarHBondContact O-CA 3.39Å; A574-A586 PolarHBondContact N-O 2.94Å; A574-A586 PolarHBondContact O-N 3.23Å; A574-L588 HydrophobicContact CB-CD1 4.14Å; A574-L687 HydrophobicContact CB-CD1 4.08Å; A574-L687 HydrophobicContact CB-CD2 3.45Å; A574-L687 VanDerWaalsContact CB-CD2 3.45Å; A574-L687 HydrophobicContact CB-CG 4.43Å
575	R	95.7	Very high	93.2	Very high	26 Å²	26	43.3 Å²	43.3	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.8	179.1	177.4	-173.5	-71.1	159.8	10	110	Y528 E529 I531 E561 L583 M584 E585	Y528-R575 VanDerWaalsContact CA-O 3.27Å; Y528-R575 WeakPolarHBondContact CA-O 3.33Å; Y528-R575 WeakPolarHBondContact CB-O 3.46Å; E529-R575 HydrophobicContact CG-CB 4.15Å; E529-R575 VanDerWaalsContact CG-O 3.26Å; E529-R575 WeakPolarHBondContact CG-O 3.48Å; E529-R575 PolarHBondContact N-O 3.49Å; E529-R575 PolarHBondContact O-N 2.99Å; E529-R575 WeakPolarHBondContact OE2-CD 3.33Å; E529-R575 IonicContact OE2-NH1 3.2Å; I531-R575 HydrophobicContact CD1-CB 4.14Å; E561-R575 IonicContact OE1-CZ 2.76Å; E561-R575 IonicContact OE1-NH1 3.64Å; E561-R575 PolarHBondContact OE1-NH1 2.91Å; E561-R575 IonicContact OE1-NH2 3.04Å; E561-R575 PolarHBondContact OE1-NH2 2.69Å; E561-R575 IonicContact OE2-CZ 2.7Å; E561-R575 IonicContact OE2-NH2 2.84Å; E561-R575 PolarHBondContact OE2-NH2 3.11Å; R575-L583 HydrophobicContact CG-CD1 3.63Å; R575-L583 HydrophobicContact CG-CD2 4.25Å; R575-L583 HydrophobicContact CG-CG 3.89Å; R575-M584 WeakPolarHBondContact CA-O 3.32Å; R575-E585 HydrophobicContact CB-CG 4.36Å; R575-E585 HydrophobicContact CG-CG 4.23Å; R575-E585 IonicContact CZ-OE1 3.2Å; R575-E585 VanDerWaalsContact CZ-OE1 3.28Å; R575-E585 IonicContact NE-OE1 3.06Å; R575-E585 PolarHBondContact NE-OE1 2.79Å; R575-E585 IonicContact NH2-OE1 3.95Å; R575-E585 PolarHBondContact NH2-OE1 3.4Å
576	W	94.8	Very high	93.3	Very high	17 Å²	17	43.1 Å²	43.1	6%	0.064	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	173.2	176.3	72.9	104.3	0	0	0	110.8	L521 V523 S527 M584 A586 L687 V689	L521-W576 HydrophobicContact CD2-CZ2 3.58Å; V523-W576 HydrophobicContact CG1-CB 4.23Å; V523-W576 HydrophobicContact CG1-CD2 4.22Å; V523-W576 HydrophobicContact CG1-CG 3.92Å; V523-W576 HydrophobicContact CG2-CD2 3.95Å; V523-W576 HydrophobicContact CG2-CE3 4.48Å; V523-W576 HydrophobicContact CG2-CG 4.34Å; V523-W576 HydrophobicContact CG2-CH2 4.48Å; V523-W576 HydrophobicContact CG2-CZ2 3.91Å; S527-W576 WeakPolarHBondContact O-CB 3.26Å; W576-M584 HydrophobicContact CD2-CB 3.74Å; W576-M584 HydrophobicContact CE3-CB 4.09Å; W576-M584 HydrophobicContact CG-CB 4.38Å; W576-M584 HydrophobicContact CH2-CB 3.71Å; W576-M584 HydrophobicContact CZ2-CB 3.34Å; W576-M584 HydrophobicContact CZ2-CG 4.02Å; W576-M584 HydrophobicContact CZ3-CB 4.08Å; W576-M584 PolarHBondContact N-O 3.17Å; W576-M584 VanDerWaalsContact N-O 3.1Å; W576-M584 PolarHBondContact O-N 3.25Å; W576-A586 HydrophobicContact CH2-CB 4.09Å; W576-A586 HydrophobicContact CZ3-CB 3.82Å; W576-L687 HydrophobicContact CE3-CD2 4.33Å; W576-L687 HydrophobicContact CZ3-CD2 4.3Å; W576-V689 HydrophobicContact CH2-CB 4.47Å; W576-V689 HydrophobicContact CH2-CG1 4.24Å; W576-V689 HydrophobicContact CH2-CG2 3.77Å; W576-V689 HydrophobicContact CZ2-CG2 4.43Å; W576-V689 HydrophobicContact CZ3-CG2 4.13Å
577	R	93.9	Very high	93.4	Very high	173 Å²	173	41.9 Å²	41.9	65%	0.653	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.1	170.7	-66.6	-175.7	179.6	-80.4	-1.3	109.4	G581 C582 L583	R577-G581 PolarHBondContact NH1-O 3.37Å; R577-C582 WeakPolarHBondContact CA-O 3.43Å; R577-L583 HydrophobicContact CG-CD1 4.09Å
578	N	89.6	Confident	93.4	Very high	55 Å²	55	41.8 Å²	41.8	29%	0.294	22%	0.219	S	C	.	.			trans	-77.8	178.7	173.7	72.3	4.7	0	0	0	111.3	S580 G581 C582 M584	N578-S580 PolarHBondContact ND2-OG 3.34Å; N578-S580 PolarHBondContact O-N 3.43Å; N578-S580 VanDerWaalsContact O-N 3.16Å; N578-S580 WeakPolarHBondContact OD1-CA 3.13Å; N578-S580 PolarHBondContact OD1-N 3.47Å; N578-S580 PolarHBondContact OD1-OG 3.12Å; N578-G581 PolarHBondContact O-N 3.29Å; N578-G581 PolarHBondContact OD1-N 3.25Å; N578-G581 VanDerWaalsContact OD1-N 3.13Å; N578-C582 PolarHBondContact N-O 2.99Å; N578-C582 WeakPolarHBondContact OD1-CB 3.34Å; N578-C582 PolarHBondContact OD1-N 2.91Å; N578-C582 PolarHBondContact OD1-O 2.99Å; N578-M584 HydrophobicContact CB-CG 3.96Å
579	E	88.2	Confident	93.3	Very high	212 Å²	212	42.7 Å²	42.7	99%	0.991	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.3	178.5	-62.9	174.6	-178.4	0	0	113.3	G581	E579-G581 VanDerWaalsContact C-N 3.29Å; E579-G581 PolarHBondContact O-N 3.37Å
580	S	89.1	Confident	93.2	Very high	84 Å²	84	42.7 Å²	42.7	59%	0.587	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	2.6	175.6	67.1	0	0	0	0	114.5	N578 C582	N578-S580 PolarHBondContact ND2-OG 3.34Å; N578-S580 PolarHBondContact O-N 3.43Å; N578-S580 VanDerWaalsContact O-N 3.16Å; N578-S580 WeakPolarHBondContact OD1-CA 3.13Å; N578-S580 PolarHBondContact OD1-N 3.47Å; N578-S580 PolarHBondContact OD1-OG 3.12Å; S580-C582 PolarHBondContact O-N 3.32Å; S580-C582 PolarHBondContact OG-SG 3.38Å
581	G	88.5	Confident	93.2	Very high	38 Å²	38	42.7 Å²	42.7	39%	0.392	22%	0.222	S	C	.	.	S	Bend	trans	76.2	-0.1	-175.9	0	0	0	0	0	115.1	R577 N578 E579	R577-G581 PolarHBondContact NH1-O 3.37Å; N578-G581 PolarHBondContact O-N 3.29Å; N578-G581 PolarHBondContact OD1-N 3.25Å; N578-G581 VanDerWaalsContact OD1-N 3.13Å; E579-G581 VanDerWaalsContact C-N 3.29Å; E579-G581 PolarHBondContact O-N 3.37Å
582	C	91.1	Very high	93.2	Very high	68 Å²	68	42.7 Å²	42.7	46%	0.459	22%	0.222	S	C	.	.			trans	-69.2	138.7	176.2	-63.3	0	0	0	0	110.5	R577 N578 S580	R577-C582 WeakPolarHBondContact CA-O 3.43Å; N578-C582 PolarHBondContact N-O 2.99Å; N578-C582 WeakPolarHBondContact OD1-CB 3.34Å; N578-C582 PolarHBondContact OD1-N 2.91Å; N578-C582 PolarHBondContact OD1-O 2.99Å; S580-C582 PolarHBondContact O-N 3.32Å; S580-C582 PolarHBondContact OG-SG 3.38Å
583	L	92.8	Very high	93.1	Very high	89 Å²	89	43.2 Å²	43.2	47%	0.466	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.9	178.6	-163.4	70.8	0	0	0	110	R575 R577	R575-L583 HydrophobicContact CG-CD1 3.63Å; R575-L583 HydrophobicContact CG-CD2 4.25Å; R575-L583 HydrophobicContact CG-CG 3.89Å; R577-L583 HydrophobicContact CG-CD1 4.09Å
584	M	94	Very high	92.9	Very high	54 Å²	54	44.9 Å²	44.9	27%	0.266	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.3	179.7	-60.5	-62.6	-67.9	0	0	109.8	R575 W576 N578	R575-M584 WeakPolarHBondContact CA-O 3.32Å; W576-M584 HydrophobicContact CD2-CB 3.74Å; W576-M584 HydrophobicContact CE3-CB 4.09Å; W576-M584 HydrophobicContact CG-CB 4.38Å; W576-M584 HydrophobicContact CH2-CB 3.71Å; W576-M584 HydrophobicContact CZ2-CB 3.34Å; W576-M584 HydrophobicContact CZ2-CG 4.02Å; W576-M584 HydrophobicContact CZ3-CB 4.08Å; W576-M584 PolarHBondContact N-O 3.17Å; W576-M584 VanDerWaalsContact N-O 3.1Å; W576-M584 PolarHBondContact O-N 3.25Å; N578-M584 HydrophobicContact CB-CG 3.96Å
585	E	94.9	Very high	92.6	Very high	34 Å²	34	45.5 Å²	45.5	16%	0.159	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.7	-179.8	-62.8	-175.6	148.2	0	0	110.8	R563 I573 A574 R575 W709	R563-E585 IonicContact CZ-OE1 3.58Å; R563-E585 IonicContact CZ-OE2 2.93Å; R563-E585 IonicContact NH1-OE1 3.77Å; R563-E585 PolarHBondContact NH1-OE1 3.15Å; R563-E585 IonicContact NH1-OE2 3.07Å; R563-E585 PolarHBondContact NH1-OE2 3.1Å; R563-E585 IonicContact NH2-OE1 3.95Å; R563-E585 PolarHBondContact NH2-OE1 2.88Å; R563-E585 IonicContact NH2-OE2 2.7Å; I573-E585 HydrophobicContact CD1-CB 4.49Å; I573-E585 HydrophobicContact CD1-CG 4.18Å; I573-E585 WeakPolarHBondContact CD1-OE1 3.49Å; A574-E585 WeakPolarHBondContact O-CA 3.39Å; R575-E585 HydrophobicContact CB-CG 4.36Å; R575-E585 HydrophobicContact CG-CG 4.23Å; R575-E585 IonicContact CZ-OE1 3.2Å; R575-E585 VanDerWaalsContact CZ-OE1 3.28Å; R575-E585 IonicContact NE-OE1 3.06Å; R575-E585 PolarHBondContact NE-OE1 2.79Å; R575-E585 IonicContact NH2-OE1 3.95Å; R575-E585 PolarHBondContact NH2-OE1 3.4Å; E585-W709 HydrophobicContact CB-CB 4.29Å; E585-W709 WeakPolarHBondContact O-CB 3.47Å; E585-W709 PolarHBondContact O-N 2.88Å; E585-W709 VanDerWaalsContact O-N 3.16Å
586	A	94.6	Very high	92.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.2	173.9	0	0	0	0	0	110.2	I573 A574 W576 V689 A706 L707	I573-A586 CarbonylContact C-O 3.52Å; I573-A586 WeakPolarHBondContact CA-O 3.47Å; I573-A586 WeakPolarHBondContact CB-O 3.16Å; A574-A586 PolarHBondContact N-O 2.94Å; A574-A586 PolarHBondContact O-N 3.23Å; W576-A586 HydrophobicContact CH2-CB 4.09Å; W576-A586 HydrophobicContact CZ3-CB 3.82Å; A586-V689 HydrophobicContact CB-CB 4.38Å; A586-V689 HydrophobicContact CB-CG1 3.63Å; A586-V689 HydrophobicContact CB-CG2 3.86Å; A586-A706 HydrophobicContact CB-CB 3.65Å; A586-L707 CarbonylContact C-O 3.58Å; A586-L707 WeakPolarHBondContact CA-O 3.29Å
587	V	95.4	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.4	-179.1	178.8	0	0	0	0	109.1	L571 I573 L621 A706 L707 W709 F712	L571-V587 HydrophobicContact CD1-CG1 4.12Å; L571-V587 HydrophobicContact CD1-CG2 4.45Å; L571-V587 HydrophobicContact CD2-CG1 4.32Å; I573-V587 HydrophobicContact CG2-CG2 4.17Å; V587-L621 HydrophobicContact CG1-CD1 4.06Å; V587-L621 HydrophobicContact CG1-CD2 4.32Å; V587-A706 CarbonylContact O-C 2.84Å; V587-A706 WeakPolarHBondContact O-CA 3.27Å; V587-A706 VanDerWaalsContact O-CB 3.26Å; V587-A706 WeakPolarHBondContact O-CB 3.48Å; V587-L707 PolarHBondContact N-O 3.29Å; V587-L707 PolarHBondContact O-N 3.12Å; V587-W709 HydrophobicContact CG2-CE3 3.57Å; V587-W709 HydrophobicContact CG2-CZ3 3.98Å; V587-F712 HydrophobicContact CB-CB 4.37Å; V587-F712 HydrophobicContact CB-CD2 4.45Å; V587-F712 HydrophobicContact CB-CG 4.27Å; V587-F712 HydrophobicContact CG1-CD2 4.15Å; V587-F712 HydrophobicContact CG1-CE2 4.32Å; V587-F712 HydrophobicContact CG1-CG 4.37Å; V587-F712 HydrophobicContact CG2-CB 3.87Å; V587-F712 HydrophobicContact CG2-CD1 3.78Å; V587-F712 HydrophobicContact CG2-CD2 4.34Å; V587-F712 HydrophobicContact CG2-CE1 4.4Å; V587-F712 HydrophobicContact CG2-CG 3.73Å
588	L	94	Very high	91.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	167.2	173.8	-71.6	93.3	0	0	0	110.9	I530 W572 A574 Q590 L679 V704	I530-L588 HydrophobicContact CD1-CD2 4.15Å; W572-L588 HydrophobicContact CB-CB 4.37Å; W572-L588 HydrophobicContact CB-CD1 3.83Å; W572-L588 WeakPolarHBondContact O-CD1 3.42Å; W572-L588 PolarHBondContact O-N 2.9Å; A574-L588 HydrophobicContact CB-CD1 4.14Å; L588-Q590 PolarHBondContact O-N 3.15Å; L588-L679 HydrophobicContact CD2-CD2 4.31Å; L588-V704 HydrophobicContact CD2-CG1 3.67Å; L588-V704 HydrophobicContact CG-CG1 4.36Å
589	D	90.4	Very high	91.2	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.123	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	-9.7	-179.3	-75.4	-37.5	0	0	0	115.4	L622 Q623 N705	D589-L622 HydrophobicContact CB-CB 4.05Å; D589-L622 HydrophobicContact CB-CG 4.37Å; D589-L622 WeakPolarHBondContact OD2-CD1 3.49Å; D589-Q623 CarbonylContact O-C 3.3Å; D589-Q623 WeakPolarHBondContact O-CA 3.5Å; D589-Q623 WeakPolarHBondContact O-CB 3.45Å; D589-Q623 PolarHBondContact O-N 2.81Å; D589-N705 WeakPolarHBondContact OD2-CB 3.33Å
590	Q	91.4	Very high	91.2	Very high	19 Å²	19	29.5 Å²	29.5	9%	0.089	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.4	-178.3	-64.9	75.9	30.9	0	0	112.1	W572 L588 Q623 L679	W572-Q590 HydrophobicContact CE3-CB 3.49Å; W572-Q590 VanDerWaalsContact CE3-CB 3.49Å; W572-Q590 HydrophobicContact CZ3-CB 3.66Å; L588-Q590 PolarHBondContact O-N 3.15Å; Q590-Q623 HydrophobicContact CG-CB 4.16Å; Q590-Q623 HydrophobicContact CG-CG 4.19Å; Q590-Q623 VanDerWaalsContact NE2-OE1 3.12Å; Q590-L679 HydrophobicContact CG-CD1 4.39Å; Q590-L679 HydrophobicContact CG-CD2 4.42Å
591	I	94.9	Very high	91.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.1	170	-173.3	165.3	0	0	0	109.4	V567 L571 L616 L621 Q623 L624 I625 F712	V567-I591 HydrophobicContact CG1-CD1 3.96Å; L571-I591 HydrophobicContact CB-CB 4.41Å; L571-I591 HydrophobicContact CB-CG1 4.24Å; L571-I591 HydrophobicContact CD2-CD1 4.44Å; I591-L616 HydrophobicContact CD1-CD2 3.86Å; I591-L616 HydrophobicContact CG1-CD2 4.15Å; I591-L616 HydrophobicContact CG2-CD2 4.32Å; I591-L621 HydrophobicContact CB-CD1 3.87Å; I591-L621 HydrophobicContact CD1-CD1 4.32Å; I591-L621 HydrophobicContact CG2-CD1 3.88Å; I591-Q623 PolarHBondContact N-O 3.37Å; I591-Q623 VanDerWaalsContact N-O 3.1Å; I591-L624 HydrophobicContact CG2-CB 4.49Å; I591-L624 HydrophobicContact CG2-CD2 3.34Å; I591-L624 HydrophobicContact CG2-CG 4.5Å; I591-I625 PolarHBondContact O-N 2.86Å; I591-F712 HydrophobicContact CD1-CE2 4.24Å; I591-F712 HydrophobicContact CD1-CZ 4.2Å
592	V	94.8	Very high	91.2	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.6	179.7	-172.7	0	0	0	0	109.2	D569 F570 W572 I625 L627 L672	D569-V592 PolarHBondContact N-O 2.77Å; F570-V592 HydrophobicContact CB-CB 4.06Å; F570-V592 HydrophobicContact CB-CG2 4.37Å; F570-V592 HydrophobicContact CD2-CB 4.24Å; F570-V592 HydrophobicContact CD2-CG1 4.26Å; F570-V592 PolarHBondContact N-O 3.05Å; F570-V592 VanDerWaalsContact N-O 3.08Å; F570-V592 PolarHBondContact O-N 3.16Å; W572-V592 HydrophobicContact CH2-CG2 3.82Å; W572-V592 HydrophobicContact CZ3-CG2 3.75Å; V592-I625 CarbonylContact C-O 3.47Å; V592-I625 WeakPolarHBondContact CA-O 3.3Å; V592-I625 HydrophobicContact CG1-CG2 4.28Å; V592-I625 HydrophobicContact CG2-CB 4.14Å; V592-I625 HydrophobicContact CG2-CD1 4.28Å; V592-I625 HydrophobicContact CG2-CG2 4.43Å; V592-L627 HydrophobicContact CG1-CB 3.78Å; V592-L627 HydrophobicContact CG1-CD2 4.4Å; V592-L672 HydrophobicContact CG2-CD2 4.34Å
593	E	94.3	Very high	91.2	Very high	11 Å²	11	25.8 Å²	25.8	5%	0.051	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114	163.1	-176.4	93	172.3	0	0	107.6	G568 D569 Q612 L616 I625 Y626 L627	G568-E593 WeakPolarHBondContact CA-OE2 3.49Å; D569-E593 WeakPolarHBondContact OD2-CA 3.41Å; E593-Q612 PolarHBondContact OE1-NE2 3.12Å; E593-L616 HydrophobicContact CB-CD1 3.77Å; E593-L616 HydrophobicContact CB-CD2 4.49Å; E593-L616 HydrophobicContact CG-CD1 4.17Å; E593-I625 PolarHBondContact N-O 2.97Å; E593-Y626 HydrophobicContact CB-CD2 4.04Å; E593-Y626 HydrophobicContact CB-CE2 4.13Å; E593-Y626 HydrophobicContact CG-CD2 4.2Å; E593-Y626 HydrophobicContact CG-CE2 3.76Å; E593-Y626 CarbonylContact O-C 3.49Å; E593-Y626 WeakPolarHBondContact O-CA 2.96Å; E593-L627 PolarHBondContact O-N 2.84Å
594	R	92.7	Very high	91	Very high	35 Å²	35	23.8 Å²	23.8	13%	0.132	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.2	177.1	178.6	176.4	164.5	-87.4	-4.5	109.2	E538 D569 F570 L627 E629	E538-R594 IonicContact OE2-NH1 2.92Å; E538-R594 PolarHBondContact OE2-NH1 3.39Å; D569-R594 HydrophobicContact CB-CB 4.41Å; D569-R594 PolarHBondContact OD2-N 2.91Å; F570-R594 HydrophobicContact CE2-CB 4.16Å; R594-L627 CarbonylContact C-O 3.5Å; R594-L627 WeakPolarHBondContact CA-O 3.48Å; R594-L627 HydrophobicContact CG-CD2 4.44Å; R594-E629 IonicContact CZ-OE2 3.03Å; R594-E629 VanDerWaalsContact CZ-OE2 3.26Å; R594-E629 IonicContact NE-OE2 2.69Å; R594-E629 PolarHBondContact NE-OE2 3.16Å; R594-E629 IonicContact NH2-OE1 3.74Å; R594-E629 PolarHBondContact NH2-OE1 3.37Å; R594-E629 IonicContact NH2-OE2 3.54Å; R594-E629 PolarHBondContact NH2-OE2 3.07Å
595	K	89.7	Confident	90.7	Very high	13 Å²	13	25.5 Å²	25.5	6%	0.057	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	113.8	178.2	-153.1	74.4	173.3	-172	0	110.5	D599 L600 S603 Y626 L627 I628 E629	K595-D599 HydrophobicContact CD-CB 4.35Å; K595-D599 WeakPolarHBondContact CE-O 3.46Å; K595-L600 HydrophobicContact CG-CB 3.84Å; K595-L600 HydrophobicContact CG-CD1 4.33Å; K595-S603 WeakPolarHBondContact CE-OG 3.11Å; K595-Y626 HydrophobicContact CB-CD1 4.32Å; K595-Y626 HydrophobicContact CB-CE1 3.43Å; K595-Y626 VanDerWaalsContact CB-CE1 3.43Å; K595-Y626 WeakPolarHBondContact CD-OH 3.37Å; K595-Y626 HydrophobicContact CG-CE1 3.98Å; K595-Y626 WeakPolarHBondContact CG-OH 3.46Å; K595-L627 PolarHBondContact N-O 3.21Å; K595-I628 HydrophobicContact CB-CD1 4.12Å; K595-I628 WeakPolarHBondContact O-CA 3.43Å; K595-E629 PolarHBondContact O-N 2.72Å
596	R	86.9	Confident	90.4	Very high	55 Å²	55	27.8 Å²	27.8	21%	0.208	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	148.4	164.6	-64.5	167.8	45.9	156.9	0.4	109.6	D598 D599 L600 E629	R596-D598 VanDerWaalsContact C-N 3.26Å; R596-D598 WeakPolarHBondContact CB-OD1 3.48Å; R596-D598 IonicContact CZ-OD1 2.71Å; R596-D598 IonicContact CZ-OD2 3.45Å; R596-D598 IonicContact NE-OD1 3.47Å; R596-D598 PolarHBondContact NE-OD1 3.43Å; R596-D598 IonicContact NE-OD2 3.25Å; R596-D598 IonicContact NH2-OD1 2.71Å; R596-D598 IonicContact NH2-OD2 2.72Å; R596-D598 PolarHBondContact NH2-OD2 3.07Å; R596-D598 PolarHBondContact O-N 3.39Å; R596-D599 HydrophobicContact CB-CB 4.4Å; R596-D599 IonicContact NE-OD2 3.13Å; R596-D599 PolarHBondContact O-N 3.38Å; R596-D599 VanDerWaalsContact O-N 3.09Å; R596-L600 PolarHBondContact O-N 2.9Å; R596-E629 WeakPolarHBondContact CA-O 2.87Å; R596-E629 HydrophobicContact CG-CB 4.28Å
597	M	84.7	Confident	90	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-31.5	-174.7	-164.9	66.7	82.5	0	0	113.8	L600 A601 I628 E629 M634 L644 I648	M597-L600 WeakPolarHBondContact O-CB 3.29Å; M597-L600 PolarHBondContact O-N 2.84Å; M597-L600 HydrophobicContact SD-CD2 3.89Å; M597-A601 PolarHBondContact O-N 3.2Å; M597-I628 HydrophobicContact CE-CG2 3.52Å; M597-I628 HydrophobicContact SD-CG2 4.22Å; M597-E629 PolarHBondContact N-O 3.09Å; M597-M634 HydrophobicContact CB-CE 4.15Å; M597-M634 HydrophobicContact CB-SD 4.17Å; M597-M634 HydrophobicContact CG-CE 3.1Å; M597-M634 HydrophobicContact CG-SD 3.39Å; M597-M634 WeakPolarHBondContact CG-SD 3.33Å; M597-M634 HydrophobicContact SD-CE 4.23Å; M597-L644 HydrophobicContact CG-CD1 4.11Å; M597-L644 HydrophobicContact SD-CB 4.17Å; M597-L644 HydrophobicContact SD-CD1 4.15Å; M597-I648 HydrophobicContact CE-CD1 3.93Å; M597-I648 HydrophobicContact SD-CD1 4.06Å
598	D	84.3	Confident	89.7	Confident	33 Å²	33	35.7 Å²	35.7	18%	0.176	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-42.9	171.2	51.9	-22.9	0	0	0	113.4	R596 L600 A601 H602	R596-D598 VanDerWaalsContact C-N 3.26Å; R596-D598 WeakPolarHBondContact CB-OD1 3.48Å; R596-D598 IonicContact CZ-OD1 2.71Å; R596-D598 IonicContact CZ-OD2 3.45Å; R596-D598 IonicContact NE-OD1 3.47Å; R596-D598 PolarHBondContact NE-OD1 3.43Å; R596-D598 IonicContact NE-OD2 3.25Å; R596-D598 IonicContact NH2-OD1 2.71Å; R596-D598 IonicContact NH2-OD2 2.72Å; R596-D598 PolarHBondContact NH2-OD2 3.07Å; R596-D598 PolarHBondContact O-N 3.39Å; D598-L600 VanDerWaalsContact C-N 3.26Å; D598-L600 PolarHBondContact O-N 2.97Å; D598-A601 PolarHBondContact O-N 2.91Å; D598-H602 PolarHBondContact O-CD2 2.88Å; D598-H602 PolarHBondContact O-N 3.3Å; D598-H602 VanDerWaalsContact O-N 3.15Å
599	D	88.2	Confident	89.6	Confident	59 Å²	59	36.2 Å²	36.2	32%	0.316	18%	0.184	S	C	.	.	H	α-helix	trans	-64.5	-32.8	174.1	-70.6	-44.6	0	0	0	112.1	K595 R596 H602 S603	K595-D599 HydrophobicContact CD-CB 4.35Å; K595-D599 WeakPolarHBondContact CE-O 3.46Å; R596-D599 HydrophobicContact CB-CB 4.4Å; R596-D599 IonicContact NE-OD2 3.13Å; R596-D599 PolarHBondContact O-N 3.38Å; R596-D599 VanDerWaalsContact O-N 3.09Å; D599-H602 PolarHBondContact O-N 3.45Å; D599-S603 VanDerWaalsContact O-CB 3.29Å; D599-S603 WeakPolarHBondContact O-CB 3.43Å; D599-S603 PolarHBondContact O-N 3.05Å; D599-S603 PolarHBondContact O-OG 3.24Å
600	L	89	Confident	89.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-49.6	173.3	179.9	61.7	0	0	0	110.6	K595 R596 M597 D598 H602 S603 I604 F609 I628 L644 I648	K595-L600 HydrophobicContact CG-CB 3.84Å; K595-L600 HydrophobicContact CG-CD1 4.33Å; R596-L600 PolarHBondContact O-N 2.9Å; M597-L600 WeakPolarHBondContact O-CB 3.29Å; M597-L600 PolarHBondContact O-N 2.84Å; M597-L600 HydrophobicContact SD-CD2 3.89Å; D598-L600 VanDerWaalsContact C-N 3.26Å; D598-L600 PolarHBondContact O-N 2.97Å; L600-H602 VanDerWaalsContact C-N 3.33Å; L600-H602 PolarHBondContact O-N 3.04Å; L600-S603 WeakPolarHBondContact CA-OG 3.3Å; L600-S603 PolarHBondContact O-N 3.2Å; L600-S603 VanDerWaalsContact O-N 3.13Å; L600-S603 PolarHBondContact O-OG 3.37Å; L600-I604 HydrophobicContact CD1-CD1 4.16Å; L600-I604 HydrophobicContact CD1-CG1 4.37Å; L600-I604 HydrophobicContact CG-CD1 4.06Å; L600-I604 WeakPolarHBondContact O-CG1 3.49Å; L600-I604 PolarHBondContact O-N 3.32Å; L600-F609 HydrophobicContact CD1-CD2 3.64Å; L600-F609 HydrophobicContact CD1-CE2 3.58Å; L600-F609 HydrophobicContact CD1-CG 4.36Å; L600-F609 HydrophobicContact CD1-CZ 4.22Å; L600-I628 HydrophobicContact CD2-CD1 4.28Å; L600-L644 HydrophobicContact CB-CD2 4.45Å; L600-L644 HydrophobicContact CD2-CB 4.46Å; L600-L644 HydrophobicContact CD2-CD2 4.12Å; L600-L644 HydrophobicContact CG-CD2 3.97Å; L600-I648 HydrophobicContact CD2-CD1 3.84Å; L600-I648 HydrophobicContact CD2-CG1 3.73Å
601	A	89	Confident	89.5	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-45.2	177.9	0	0	0	0	0	112.5	M597 D598 S603 I604 V605 Q637 V639 L644	M597-A601 PolarHBondContact O-N 3.2Å; D598-A601 PolarHBondContact O-N 2.91Å; A601-S603 PolarHBondContact O-N 3.35Å; A601-I604 PolarHBondContact O-N 3.08Å; A601-V605 WeakPolarHBondContact O-CG2 3.49Å; A601-V605 PolarHBondContact O-N 3.3Å; A601-Q637 HydrophobicContact CB-CB 4.5Å; A601-V639 HydrophobicContact CB-CB 3.96Å; A601-V639 HydrophobicContact CB-CG2 3.99Å; A601-L644 HydrophobicContact CB-CD1 4.37Å; A601-L644 HydrophobicContact CB-CD2 3.81Å
602	H	87.9	Confident	89.4	Confident	107 Å²	107	48.2 Å²	48.2	50%	0.495	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-43.3	176	-75.9	-63.5	0	0	0	112.3	D598 D599 L600 I604 V605 D606	D598-H602 PolarHBondContact O-CD2 2.88Å; D598-H602 PolarHBondContact O-N 3.3Å; D598-H602 VanDerWaalsContact O-N 3.15Å; D599-H602 PolarHBondContact O-N 3.45Å; L600-H602 VanDerWaalsContact C-N 3.33Å; L600-H602 PolarHBondContact O-N 3.04Å; H602-I604 VanDerWaalsContact C-N 3.27Å; H602-I604 PolarHBondContact O-N 3.07Å; H602-V605 PolarHBondContact O-N 3.36Å; H602-D606 PolarHBondContact O-N 3.04Å
603	S	90.8	Very high	89.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-26	-179.4	72.7	0	0	0	0	114.1	K595 D599 L600 A601 D606 G607 R608 F609	K595-S603 WeakPolarHBondContact CE-OG 3.11Å; D599-S603 VanDerWaalsContact O-CB 3.29Å; D599-S603 WeakPolarHBondContact O-CB 3.43Å; D599-S603 PolarHBondContact O-N 3.05Å; D599-S603 PolarHBondContact O-OG 3.24Å; L600-S603 WeakPolarHBondContact CA-OG 3.3Å; L600-S603 PolarHBondContact O-N 3.2Å; L600-S603 VanDerWaalsContact O-N 3.13Å; L600-S603 PolarHBondContact O-OG 3.37Å; A601-S603 PolarHBondContact O-N 3.35Å; S603-D606 VanDerWaalsContact CA-OD1 3.27Å; S603-D606 WeakPolarHBondContact CA-OD1 3.48Å; S603-D606 VanDerWaalsContact O-OD1 3.05Å; S603-G607 CarbonylContact O-C 3.34Å; S603-G607 PolarHBondContact O-N 3.37Å; S603-R608 PolarHBondContact O-N 3.04Å; S603-F609 WeakPolarHBondContact O-CB 3.28Å; S603-F609 PolarHBondContact O-N 3Å
604	I	89	Confident	89.1	Confident	47 Å²	47	55 Å²	55	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-73.4	-44.2	173.8	-70.3	166.3	0	0	0	110	L600 A601 H602 G607 F609 L644 A647	L600-I604 HydrophobicContact CD1-CD1 4.16Å; L600-I604 HydrophobicContact CD1-CG1 4.37Å; L600-I604 HydrophobicContact CG-CD1 4.06Å; L600-I604 WeakPolarHBondContact O-CG1 3.49Å; L600-I604 PolarHBondContact O-N 3.32Å; A601-I604 PolarHBondContact O-N 3.08Å; H602-I604 VanDerWaalsContact C-N 3.27Å; H602-I604 PolarHBondContact O-N 3.07Å; I604-G607 PolarHBondContact O-N 3.38Å; I604-F609 HydrophobicContact CG1-CB 4.12Å; I604-F609 HydrophobicContact CG1-CD1 3.97Å; I604-F609 HydrophobicContact CG1-CG 4.09Å; I604-L644 HydrophobicContact CD1-CD2 3.73Å; I604-A647 HydrophobicContact CD1-CB 3.6Å; I604-A647 HydrophobicContact CG1-CB 4.49Å
605	V	88.1	Confident	89	Confident	91 Å²	91	54.9 Å²	54.9	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-67	-40.2	-177.4	174.7	0	0	0	0	112	A601 H602 V639	A601-V605 WeakPolarHBondContact O-CG2 3.49Å; A601-V605 PolarHBondContact O-N 3.3Å; H602-V605 PolarHBondContact O-N 3.36Å; V605-V639 HydrophobicContact CG2-CG2 3.46Å; V605-V639 VanDerWaalsContact CG2-CG2 3.46Å
606	D	87.4	Confident	89.2	Confident	82 Å²	82	54.4 Å²	54.4	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	-87.9	-4.1	179.7	65	28.7	0	0	0	114.1	H602 S603 R608	H602-D606 PolarHBondContact O-N 3.04Å; S603-D606 VanDerWaalsContact CA-OD1 3.27Å; S603-D606 WeakPolarHBondContact CA-OD1 3.48Å; S603-D606 VanDerWaalsContact O-OD1 3.05Å; D606-R608 VanDerWaalsContact C-N 3.31Å; D606-R608 VanDerWaalsContact CG-NE 3.3Å; D606-R608 PolarHBondContact O-N 3.47Å; D606-R608 WeakPolarHBondContact OD1-CB 3.44Å; D606-R608 VanDerWaalsContact OD1-CG 3.24Å; D606-R608 WeakPolarHBondContact OD1-CG 3.34Å; D606-R608 PolarHBondContact OD1-N 3.01Å; D606-R608 IonicContact OD1-NE 2.72Å; D606-R608 PolarHBondContact OD1-NE 2.99Å; D606-R608 IonicContact OD2-CZ 3.6Å; D606-R608 IonicContact OD2-NE 2.63Å; D606-R608 PolarHBondContact OD2-NE 3.17Å; D606-R608 IonicContact OD2-NH2 2.84Å; D606-R608 PolarHBondContact OD2-NH2 3.45Å
607	G	86.1	Confident	89.4	Confident	38 Å²	38	55.6 Å²	55.6	39%	0.392	26%	0.261	S	S	.	.	S	Bend	trans	80.8	-1.2	178.4	0	0	0	0	0	115.4	S603 I604 F609 R610	S603-G607 CarbonylContact O-C 3.34Å; S603-G607 PolarHBondContact O-N 3.37Å; I604-G607 PolarHBondContact O-N 3.38Å; G607-F609 PolarHBondContact O-N 3.1Å; G607-R610 PolarHBondContact O-N 2.63Å
608	R	90.8	Very high	89.6	Confident	127 Å²	127	57.7 Å²	57.7	48%	0.479	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-32.6	177.2	-73.1	-174.3	-70.7	160.7	-4.2	112.6	S603 D606 R610 E611 Q612	S603-R608 PolarHBondContact O-N 3.04Å; D606-R608 VanDerWaalsContact C-N 3.31Å; D606-R608 VanDerWaalsContact CG-NE 3.3Å; D606-R608 PolarHBondContact O-N 3.47Å; D606-R608 WeakPolarHBondContact OD1-CB 3.44Å; D606-R608 VanDerWaalsContact OD1-CG 3.24Å; D606-R608 WeakPolarHBondContact OD1-CG 3.34Å; D606-R608 PolarHBondContact OD1-N 3.01Å; D606-R608 IonicContact OD1-NE 2.72Å; D606-R608 PolarHBondContact OD1-NE 2.99Å; D606-R608 IonicContact OD2-CZ 3.6Å; D606-R608 IonicContact OD2-NE 2.63Å; D606-R608 PolarHBondContact OD2-NE 3.17Å; D606-R608 IonicContact OD2-NH2 2.84Å; D606-R608 PolarHBondContact OD2-NH2 3.45Å; R608-R610 VanDerWaalsContact C-N 3.25Å; R608-R610 PolarHBondContact O-N 3.33Å; R608-E611 PolarHBondContact O-N 3.22Å; R608-E611 VanDerWaalsContact O-N 3.08Å; R608-Q612 WeakPolarHBondContact O-CG 3.48Å; R608-Q612 PolarHBondContact O-N 3.45Å
609	F	91.1	Very high	89.9	Confident	14 Å²	14	56.2 Å²	56.2	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-53.8	-41	-179.7	179.4	-122.6	0	0	0	112.9	L600 S603 I604 G607 K613 Y626 A647 A651	L600-F609 HydrophobicContact CD1-CD2 3.64Å; L600-F609 HydrophobicContact CD1-CE2 3.58Å; L600-F609 HydrophobicContact CD1-CG 4.36Å; L600-F609 HydrophobicContact CD1-CZ 4.22Å; S603-F609 WeakPolarHBondContact O-CB 3.28Å; S603-F609 PolarHBondContact O-N 3Å; I604-F609 HydrophobicContact CG1-CB 4.12Å; I604-F609 HydrophobicContact CG1-CD1 3.97Å; I604-F609 HydrophobicContact CG1-CG 4.09Å; G607-F609 PolarHBondContact O-N 3.1Å; F609-K613 HydrophobicContact CD2-CD 4.45Å; F609-K613 HydrophobicContact CE1-CD 4.24Å; F609-K613 HydrophobicContact CE2-CD 3.89Å; F609-K613 HydrophobicContact CE2-CG 4.37Å; F609-K613 HydrophobicContact CZ-CD 3.79Å; F609-K613 WeakPolarHBondContact O-CG 3.47Å; F609-K613 PolarHBondContact O-N 3.22Å; F609-Y626 HydrophobicContact CE2-CE1 4.47Å; F609-Y626 HydrophobicContact CE2-CE2 4.42Å; F609-Y626 AromaticContact CE2-CZ 3.97Å; F609-A647 HydrophobicContact CE1-CB 4.02Å; F609-A647 HydrophobicContact CZ-CB 4.34Å; F609-A651 HydrophobicContact CZ-CB 4.12Å
610	R	90.5	Very high	89.8	Confident	201 Å²	201	55 Å²	55	76%	0.758	26%	0.263	S	S	*	.	H	α-helix	trans	-71.7	-40.7	178.4	-67.4	-178.9	179.3	173	-0.6	112.1	G607 R608 Y614	G607-R610 PolarHBondContact O-N 2.63Å; R608-R610 VanDerWaalsContact C-N 3.25Å; R608-R610 PolarHBondContact O-N 3.33Å; R610-Y614 WeakPolarHBondContact O-CB 3.49Å; R610-Y614 PolarHBondContact O-N 3.24Å; R610-Y614 VanDerWaalsContact O-N 3.07Å
611	E	89.8	Confident	89.8	Confident	63 Å²	63	55.5 Å²	55.5	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-42.2	179.4	-178.3	-91.2	-177.3	0	0	112.2	R608 Y614 R615	R608-E611 PolarHBondContact O-N 3.22Å; R608-E611 VanDerWaalsContact O-N 3.08Å; E611-Y614 PolarHBondContact O-N 3.32Å; E611-R615 VanDerWaalsContact CD-CD 3.49Å; E611-R615 PolarHBondContact O-N 3.44Å; E611-R615 WeakPolarHBondContact OE1-CD 3.48Å; E611-R615 IonicContact OE1-CZ 3.67Å; E611-R615 IonicContact OE1-NE 3.69Å; E611-R615 IonicContact OE1-NH1 4Å; E611-R615 PolarHBondContact OE1-NH1 3.47Å; E611-R615 VanDerWaalsContact OE1-NH1 3.07Å; E611-R615 IonicContact OE2-NH1 3.83Å; E611-R615 PolarHBondContact OE2-NH1 2.92Å
612	Q	91.2	Very high	89.5	Confident	30 Å²	30	57.8 Å²	57.8	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-50.4	178.3	-71.1	-177.1	-52.6	0	0	111.1	E593 R608 Y614 R615 L616	E593-Q612 PolarHBondContact OE1-NE2 3.12Å; R608-Q612 WeakPolarHBondContact O-CG 3.48Å; R608-Q612 PolarHBondContact O-N 3.45Å; Q612-Y614 VanDerWaalsContact C-N 3.32Å; Q612-Y614 PolarHBondContact O-N 2.82Å; Q612-R615 PolarHBondContact O-N 3.01Å; Q612-R615 VanDerWaalsContact O-N 3.17Å; Q612-L616 WeakPolarHBondContact O-CG 3.34Å; Q612-L616 PolarHBondContact O-N 2.61Å
613	K	92.2	Very high	89.4	Confident	16 Å²	16	53.6 Å²	53.6	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-41.7	176.4	-68.1	-170.1	-62.6	179.8	0	112.4	F609 R615 L616 K617 A651 D655 L657	F609-K613 HydrophobicContact CD2-CD 4.45Å; F609-K613 HydrophobicContact CE1-CD 4.24Å; F609-K613 HydrophobicContact CE2-CD 3.89Å; F609-K613 HydrophobicContact CE2-CG 4.37Å; F609-K613 HydrophobicContact CZ-CD 3.79Å; F609-K613 WeakPolarHBondContact O-CG 3.47Å; F609-K613 PolarHBondContact O-N 3.22Å; K613-R615 VanDerWaalsContact C-N 3.34Å; K613-R615 PolarHBondContact O-N 2.87Å; K613-L616 PolarHBondContact O-N 2.94Å; K613-K617 WeakPolarHBondContact O-CG 3.31Å; K613-K617 PolarHBondContact O-N 3.19Å; K613-A651 HydrophobicContact CD-CB 4.13Å; K613-D655 WeakPolarHBondContact CE-OD2 3.4Å; K613-D655 IonicContact NZ-OD2 2.77Å; K613-D655 PolarHBondContact NZ-OD2 3.32Å; K613-L657 HydrophobicContact CB-CD1 4.43Å; K613-L657 HydrophobicContact CD-CD1 3.66Å; K613-L657 HydrophobicContact CG-CD1 3.73Å
614	Y	91.3	Very high	89.4	Confident	139 Å²	139	54.4 Å²	54.4	55%	0.545	26%	0.262	S	S	.	.	H	α-helix	trans	-59.9	-44	176.4	172.7	-99.4	0	0	0	111.9	R610 E611 Q612 K617 R618	R610-Y614 WeakPolarHBondContact O-CB 3.49Å; R610-Y614 PolarHBondContact O-N 3.24Å; R610-Y614 VanDerWaalsContact O-N 3.07Å; E611-Y614 PolarHBondContact O-N 3.32Å; Q612-Y614 VanDerWaalsContact C-N 3.32Å; Q612-Y614 PolarHBondContact O-N 2.82Å; Y614-K617 PolarHBondContact O-N 3.12Å; Y614-R618 WeakPolarHBondContact O-CB 3.29Å; Y614-R618 PolarHBondContact O-N 3.44Å
615	R	91.4	Very high	89.6	Confident	33 Å²	33	52.3 Å²	52.3	13%	0.125	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-41.5	177.3	-77.9	169.2	59.4	-151.1	-7.1	112.7	P566 V567 E611 Q612 K613 R618	P566-R615 PolarHBondContact O-NH2 2.89Å; V567-R615 HydrophobicContact CG2-CB 3.81Å; E611-R615 VanDerWaalsContact CD-CD 3.49Å; E611-R615 PolarHBondContact O-N 3.44Å; E611-R615 WeakPolarHBondContact OE1-CD 3.48Å; E611-R615 IonicContact OE1-CZ 3.67Å; E611-R615 IonicContact OE1-NE 3.69Å; E611-R615 IonicContact OE1-NH1 4Å; E611-R615 PolarHBondContact OE1-NH1 3.47Å; E611-R615 VanDerWaalsContact OE1-NH1 3.07Å; E611-R615 IonicContact OE2-NH1 3.83Å; E611-R615 PolarHBondContact OE2-NH1 2.92Å; Q612-R615 PolarHBondContact O-N 3.01Å; Q612-R615 VanDerWaalsContact O-N 3.17Å; K613-R615 VanDerWaalsContact C-N 3.34Å; K613-R615 PolarHBondContact O-N 2.87Å; R615-R618 PolarHBondContact O-N 2.92Å
616	L	93.3	Very high	89.8	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-51.4	174.7	-72.5	165.5	0	0	0	110.9	V567 I591 E593 Q612 K613 R618 T619 L624	V567-L616 HydrophobicContact CG2-CD2 3.9Å; V567-L616 HydrophobicContact CG2-CG 4.11Å; I591-L616 HydrophobicContact CD1-CD2 3.86Å; I591-L616 HydrophobicContact CG1-CD2 4.15Å; I591-L616 HydrophobicContact CG2-CD2 4.32Å; E593-L616 HydrophobicContact CB-CD1 3.77Å; E593-L616 HydrophobicContact CB-CD2 4.49Å; E593-L616 HydrophobicContact CG-CD1 4.17Å; Q612-L616 WeakPolarHBondContact O-CG 3.34Å; Q612-L616 PolarHBondContact O-N 2.61Å; K613-L616 PolarHBondContact O-N 2.94Å; L616-R618 VanDerWaalsContact C-N 3.31Å; L616-R618 PolarHBondContact O-N 3.27Å; L616-T619 WeakPolarHBondContact O-CB 3.41Å; L616-T619 WeakPolarHBondContact O-CG2 3.34Å; L616-T619 PolarHBondContact O-N 3.09Å; L616-T619 PolarHBondContact O-OG1 3.04Å; L616-L624 HydrophobicContact CB-CD1 4.45Å
617	K	91.1	Very high	90.1	Very high	80 Å²	80	44.3 Å²	44.3	35%	0.348	21%	0.205	S	C	.	.	H	α-helix	trans	-61	-37.2	179.2	-70.5	-175.9	-176.1	-164	0	113.8	K613 Y614 T619 G620 L624 D655	K613-K617 WeakPolarHBondContact O-CG 3.31Å; K613-K617 PolarHBondContact O-N 3.19Å; Y614-K617 PolarHBondContact O-N 3.12Å; K617-T619 PolarHBondContact O-N 3.01Å; K617-G620 PolarHBondContact O-N 3.49Å; K617-G620 VanDerWaalsContact O-N 3.1Å; K617-L624 HydrophobicContact CB-CD1 4.46Å; K617-L624 HydrophobicContact CG-CD1 3.95Å; K617-D655 VanDerWaalsContact CE-CB 3.42Å; K617-D655 WeakPolarHBondContact CE-O 3.26Å; K617-D655 WeakPolarHBondContact CE-OD1 3.38Å; K617-D655 VanDerWaalsContact NZ-CB 3.3Å; K617-D655 PolarHBondContact NZ-O 3.25Å; K617-D655 VanDerWaalsContact NZ-O 3.16Å; K617-D655 IonicContact NZ-OD1 2.8Å; K617-D655 PolarHBondContact NZ-OD1 3.05Å
618	R	89.4	Confident	90.3	Very high	45 Å²	45	42.5 Å²	42.5	17%	0.17	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-24.2	-177.5	-165.7	175.4	62.8	-155.5	-10.9	112.8	Y614 R615 L616 G620 L715 N717 P720	Y614-R618 WeakPolarHBondContact O-CB 3.29Å; Y614-R618 PolarHBondContact O-N 3.44Å; R615-R618 PolarHBondContact O-N 2.92Å; L616-R618 VanDerWaalsContact C-N 3.31Å; L616-R618 PolarHBondContact O-N 3.27Å; R618-G620 PolarHBondContact O-N 2.87Å; R618-L715 PolarHBondContact NE-O 3.3Å; R618-L715 PolarHBondContact NH2-O 3.34Å; R618-L715 VanDerWaalsContact NH2-O 3.12Å; R618-N717 PolarHBondContact NH2-O 3.08Å; R618-P720 VanDerWaalsContact NH1-CD 3.31Å
619	T	90.3	Very high	90.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.8	174.1	67.9	0	0	0	0	112.7	V567 L616 K617 L621 F712 L715 A716	V567-T619 HydrophobicContact CG1-CG2 3.59Å; L616-T619 WeakPolarHBondContact O-CB 3.41Å; L616-T619 WeakPolarHBondContact O-CG2 3.34Å; L616-T619 PolarHBondContact O-N 3.09Å; L616-T619 PolarHBondContact O-OG1 3.04Å; K617-T619 PolarHBondContact O-N 3.01Å; T619-L621 PolarHBondContact O-N 3.19Å; T619-L621 WeakPolarHBondContact OG1-CG 3.5Å; T619-L621 PolarHBondContact OG1-N 3.32Å; T619-F712 HydrophobicContact CG2-CD2 4.3Å; T619-F712 HydrophobicContact CG2-CE2 3.81Å; T619-L715 WeakPolarHBondContact O-CD1 3.45Å; T619-A716 HydrophobicContact CG2-CB 4.31Å
620	G	85.6	Confident	89.5	Confident	34 Å²	34	38.6 Å²	38.6	35%	0.351	17%	0.173	S	C	.	.			trans	73.9	8.9	-176.3	0	0	0	0	0	114.6	K617 R618	K617-G620 PolarHBondContact O-N 3.49Å; K617-G620 VanDerWaalsContact O-N 3.1Å; R618-G620 PolarHBondContact O-N 2.87Å
621	L	88.6	Confident	88.6	Confident	10 Å²	10	30.4 Å²	30.4	5%	0.052	15%	0.146	C	C	.	.			trans	-66.8	145.3	171.3	-59	178.9	0	0	0	110.1	V587 I591 T619 L624 L707 F712	V587-L621 HydrophobicContact CG1-CD1 4.06Å; V587-L621 HydrophobicContact CG1-CD2 4.32Å; I591-L621 HydrophobicContact CB-CD1 3.87Å; I591-L621 HydrophobicContact CD1-CD1 4.32Å; I591-L621 HydrophobicContact CG2-CD1 3.88Å; T619-L621 PolarHBondContact O-N 3.19Å; T619-L621 WeakPolarHBondContact OG1-CG 3.5Å; T619-L621 PolarHBondContact OG1-N 3.32Å; L621-L624 HydrophobicContact CB-CD2 3.97Å; L621-L707 HydrophobicContact CD2-CB 4.33Å; L621-F712 HydrophobicContact CD1-CD2 4.31Å; L621-F712 HydrophobicContact CD1-CE2 3.97Å
622	L	83.5	Confident	87.4	Confident	51 Å²	51	33.4 Å²	33.4	27%	0.267	17%	0.172	S	C	.	.	S	Bend	trans	-75.8	-38.2	-174.8	-62.4	-178.7	0	0	0	113.7	I286 D589 F699	I286-L622 HydrophobicContact CD1-CB 4.08Å; I286-L622 HydrophobicContact CD1-CD1 4.32Å; I286-L622 HydrophobicContact CD1-CD2 4.1Å; I286-L622 HydrophobicContact CD1-CG 4.42Å; D589-L622 HydrophobicContact CB-CB 4.05Å; D589-L622 HydrophobicContact CB-CG 4.37Å; D589-L622 WeakPolarHBondContact OD2-CD1 3.49Å; L622-F699 HydrophobicContact CD1-CD1 3.96Å; L622-F699 HydrophobicContact CD1-CE1 3.51Å; L622-F699 HydrophobicContact CD1-CZ 4.19Å; L622-F699 HydrophobicContact CD2-CE1 3.9Å; L622-F699 HydrophobicContact CD2-CZ 3.69Å; L622-F699 HydrophobicContact CG-CE1 4.04Å; L622-F699 HydrophobicContact CG-CZ 4.33Å
623	Q	85.5	Confident	86.1	Confident	19 Å²	19	38 Å²	38	9%	0.089	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	83.4	-168.8	-174	158.8	41.6	0	0	110.7	S287 Y289 D589 Q590 I591 I625	S287-Q623 PolarHBondContact OG-NE2 2.87Å; Y289-Q623 VanDerWaalsContact CZ-NE2 3.26Å; Y289-Q623 PolarHBondContact OH-NE2 3.44Å; D589-Q623 CarbonylContact O-C 3.3Å; D589-Q623 WeakPolarHBondContact O-CA 3.5Å; D589-Q623 WeakPolarHBondContact O-CB 3.45Å; D589-Q623 PolarHBondContact O-N 2.81Å; Q590-Q623 HydrophobicContact CG-CB 4.16Å; Q590-Q623 HydrophobicContact CG-CG 4.19Å; Q590-Q623 VanDerWaalsContact NE2-OE1 3.12Å; I591-Q623 PolarHBondContact N-O 3.37Å; I591-Q623 VanDerWaalsContact N-O 3.1Å; Q623-I625 HydrophobicContact CG-CD1 4.12Å; Q623-I625 HydrophobicContact CG-CG1 3.9Å; Q623-I625 PolarHBondContact O-N 3.47Å
624	L	91.8	Very high	84.5	Confident	18 Å²	18	39.1 Å²	39.1	9%	0.094	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	95.7	177.8	-49.6	-179.5	0	0	0	109.8	I591 L616 K617 L621 L657 H658	I591-L624 HydrophobicContact CG2-CB 4.49Å; I591-L624 HydrophobicContact CG2-CD2 3.34Å; I591-L624 HydrophobicContact CG2-CG 4.5Å; L616-L624 HydrophobicContact CB-CD1 4.45Å; K617-L624 HydrophobicContact CB-CD1 4.46Å; K617-L624 HydrophobicContact CG-CD1 3.95Å; L621-L624 HydrophobicContact CB-CD2 3.97Å; L624-L657 HydrophobicContact CB-CD2 3.53Å; L624-L657 HydrophobicContact CD1-CD2 3.69Å; L624-L657 HydrophobicContact CG-CD2 4.26Å; L624-H658 PolarHBondContact O-N 3.3Å
625	I	92.6	Very high	82.8	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.8	-178.2	-57.8	171.2	0	0	0	109.4	I591 V592 E593 Q623 H658 M660 L675	I591-I625 PolarHBondContact O-N 2.86Å; V592-I625 CarbonylContact C-O 3.47Å; V592-I625 WeakPolarHBondContact CA-O 3.3Å; V592-I625 HydrophobicContact CG1-CG2 4.28Å; V592-I625 HydrophobicContact CG2-CB 4.14Å; V592-I625 HydrophobicContact CG2-CD1 4.28Å; V592-I625 HydrophobicContact CG2-CG2 4.43Å; E593-I625 PolarHBondContact N-O 2.97Å; Q623-I625 HydrophobicContact CG-CD1 4.12Å; Q623-I625 HydrophobicContact CG-CG1 3.9Å; Q623-I625 PolarHBondContact O-N 3.47Å; I625-H658 CarbonylContact C-O 3.36Å; I625-H658 VanDerWaalsContact CA-O 3.31Å; I625-H658 WeakPolarHBondContact CA-O 3.17Å; I625-H658 HydrophobicContact CG1-CB 4.34Å; I625-M660 HydrophobicContact CD1-CE 4.41Å; I625-M660 HydrophobicContact CG2-CB 4.38Å; I625-M660 HydrophobicContact CG2-CG 4.02Å; I625-M660 HydrophobicContact CG2-SD 3.79Å; I625-L675 HydrophobicContact CD1-CD1 4.23Å
626	Y	92.9	Very high	81.2	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	104.8	171.6	-150	-83.4	0	0	0	108.4	E593 K595 F609 I628 L657 H658 I659 M660	E593-Y626 HydrophobicContact CB-CD2 4.04Å; E593-Y626 HydrophobicContact CB-CE2 4.13Å; E593-Y626 HydrophobicContact CG-CD2 4.2Å; E593-Y626 HydrophobicContact CG-CE2 3.76Å; E593-Y626 CarbonylContact O-C 3.49Å; E593-Y626 WeakPolarHBondContact O-CA 2.96Å; K595-Y626 HydrophobicContact CB-CD1 4.32Å; K595-Y626 HydrophobicContact CB-CE1 3.43Å; K595-Y626 VanDerWaalsContact CB-CE1 3.43Å; K595-Y626 WeakPolarHBondContact CD-OH 3.37Å; K595-Y626 HydrophobicContact CG-CE1 3.98Å; K595-Y626 WeakPolarHBondContact CG-OH 3.46Å; F609-Y626 HydrophobicContact CE2-CE1 4.47Å; F609-Y626 HydrophobicContact CE2-CE2 4.42Å; F609-Y626 AromaticContact CE2-CZ 3.97Å; Y626-I628 HydrophobicContact CD1-CD1 3.4Å; Y626-I628 VanDerWaalsContact CD1-CD1 3.4Å; Y626-I628 HydrophobicContact CD1-CG1 4.17Å; Y626-I628 HydrophobicContact CE1-CD1 3.46Å; Y626-I628 VanDerWaalsContact CE1-CD1 3.46Å; Y626-L657 HydrophobicContact CD2-CD1 3.97Å; Y626-H658 PolarHBondContact N-O 3.11Å; Y626-I659 HydrophobicContact CG-CD1 4.43Å; Y626-I659 WeakPolarHBondContact O-CA 3.4Å; Y626-M660 PolarHBondContact O-N 2.87Å
627	L	93	Very high	79.9	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	105.5	-175.9	175.8	58.9	0	0	0	110.1	V592 E593 R594 K595 M660 T662 T668 L671	V592-L627 HydrophobicContact CG1-CB 3.78Å; V592-L627 HydrophobicContact CG1-CD2 4.4Å; E593-L627 PolarHBondContact O-N 2.84Å; R594-L627 CarbonylContact C-O 3.5Å; R594-L627 WeakPolarHBondContact CA-O 3.48Å; R594-L627 HydrophobicContact CG-CD2 4.44Å; K595-L627 PolarHBondContact N-O 3.21Å; L627-M660 CarbonylContact C-O 3.42Å; L627-M660 WeakPolarHBondContact CA-O 3.24Å; L627-M660 HydrophobicContact CD1-CB 3.91Å; L627-T662 HydrophobicContact CD1-CG2 3.68Å; L627-T668 HydrophobicContact CD2-CG2 3.68Å; L627-L671 HydrophobicContact CD1-CD2 3.61Å; L627-L671 HydrophobicContact CD2-CD2 4.29Å
628	I	89.9	Confident	78.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.6	177	-57.2	-62.8	0	0	0	109.8	K595 M597 L600 Y626 I648 I659 M660 T661 T662	K595-I628 HydrophobicContact CB-CD1 4.12Å; K595-I628 WeakPolarHBondContact O-CA 3.43Å; M597-I628 HydrophobicContact CE-CG2 3.52Å; M597-I628 HydrophobicContact SD-CG2 4.22Å; L600-I628 HydrophobicContact CD2-CD1 4.28Å; Y626-I628 HydrophobicContact CD1-CD1 3.4Å; Y626-I628 VanDerWaalsContact CD1-CD1 3.4Å; Y626-I628 HydrophobicContact CD1-CG1 4.17Å; Y626-I628 HydrophobicContact CE1-CD1 3.46Å; Y626-I628 VanDerWaalsContact CE1-CD1 3.46Å; I628-I648 HydrophobicContact CD1-CD1 4.23Å; I628-I648 HydrophobicContact CD1-CG1 4.23Å; I628-I648 HydrophobicContact CG1-CD1 4.11Å; I628-I648 HydrophobicContact CG1-CG1 4.35Å; I628-I648 HydrophobicContact CG2-CD1 4.27Å; I628-I659 HydrophobicContact CG1-CG2 4.2Å; I628-M660 PolarHBondContact N-O 3.45Å; I628-T661 HydrophobicContact CB-CG2 4.21Å; I628-T661 CarbonylContact O-C 3.55Å; I628-T661 VanDerWaalsContact O-CA 3.28Å; I628-T661 WeakPolarHBondContact O-CA 3.33Å; I628-T662 PolarHBondContact O-N 2.85Å; I628-T662 PolarHBondContact O-OG1 2.63Å
629	E	87.1	Confident	78.1	Confident	16 Å²	16	47.7 Å²	47.7	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.7	173.1	-169.5	179.4	107.3	0	0	109.6	R594 K595 R596 M597 T662 T668	R594-E629 IonicContact CZ-OE2 3.03Å; R594-E629 VanDerWaalsContact CZ-OE2 3.26Å; R594-E629 IonicContact NE-OE2 2.69Å; R594-E629 PolarHBondContact NE-OE2 3.16Å; R594-E629 IonicContact NH2-OE1 3.74Å; R594-E629 PolarHBondContact NH2-OE1 3.37Å; R594-E629 IonicContact NH2-OE2 3.54Å; R594-E629 PolarHBondContact NH2-OE2 3.07Å; K595-E629 PolarHBondContact O-N 2.72Å; R596-E629 WeakPolarHBondContact CA-O 2.87Å; R596-E629 HydrophobicContact CG-CB 4.28Å; M597-E629 PolarHBondContact N-O 3.09Å; E629-T662 WeakPolarHBondContact CA-O 3.39Å; E629-T668 PolarHBondContact OE2-OG1 3.05Å
630	E	79	Confident	77.7	Confident	43 Å²	43	50.6 Å²	50.6	20%	0.201	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.9	141.8	177.3	-74.5	172	-151.2	0	0	111.3	S457 T662	S457-E630 WeakPolarHBondContact CB-OE1 3.14Å; S457-E630 WeakPolarHBondContact CB-OE2 3.2Å; S457-E630 PolarHBondContact OG-OE1 3.36Å; E630-T662 PolarHBondContact N-O 2.87Å
631	C	71.3	Confident	77.5	Confident	29 Å²	29	52.4 Å²	52.4	20%	0.196	27%	0.27	C	S	.	.			trans	-121.2	131.2	175.2	-175	0	0	0	0	108.7	M633 M634	C631-M633 PolarHBondContact O-N 2.96Å; C631-M634 WeakPolarHBondContact O-CG 3.21Å
632	P	65.3	Low	77.1	Confident	127 Å²	127	57.7 Å²	57.7	83%	0.825	30%	0.298	S	S	*	.	S	Bend	trans	-57.2	-23.1	179.2	-25.9	33.4	0	0	0	114.4
633	M	62.3	Low	77.2	Confident	127 Å²	127	58.5 Å²	58.5	63%	0.626	31%	0.305	S	S	*	.			trans	-102.2	77.1	-177.1	-64.3	-167.1	86.9	0	0	112.4	C631	C631-M633 PolarHBondContact O-N 2.96Å
634	M	60.6	Low	77.3	Confident	39 Å²	39	57.6 Å²	57.6	19%	0.192	30%	0.301	C	S	.	.			trans	-99.2	-18.9	175.2	-71	-145.3	69.9	0	0	115.1	M597 C631 N636 Y641 L644	M597-M634 HydrophobicContact CB-CE 4.15Å; M597-M634 HydrophobicContact CB-SD 4.17Å; M597-M634 HydrophobicContact CG-CE 3.1Å; M597-M634 HydrophobicContact CG-SD 3.39Å; M597-M634 WeakPolarHBondContact CG-SD 3.33Å; M597-M634 HydrophobicContact SD-CE 4.23Å; C631-M634 WeakPolarHBondContact O-CG 3.21Å; M634-N636 PolarHBondContact O-N 3.14Å; M634-Y641 HydrophobicContact CE-CD2 3.82Å; M634-Y641 HydrophobicContact CE-CE2 4.32Å; M634-Y641 HydrophobicContact SD-CD2 3.66Å; M634-Y641 HydrophobicContact SD-CE2 3.65Å; M634-L644 HydrophobicContact CE-CD1 3.25Å
635	H	55	Low	76.9	Confident	143 Å²	143	58.4 Å²	58.4	66%	0.662	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.5	-167.1	58.3	-87.3	0	0	0	115.2
636	N	57.1	Low	76.5	Confident	127 Å²	127	63.5 Å²	63.5	68%	0.679	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	19.3	-174.2	-66.5	-29.1	0	0	0	114.9	M634	M634-N636 PolarHBondContact O-N 3.14Å
637	Q	65.6	Low	76.3	Confident	43 Å²	43	64 Å²	64	20%	0.201	33%	0.333	C	S	.	.			trans	-89.6	153.1	-177.2	-64.2	-175.4	10.5	0	0	113	A601 V639	A601-Q637 HydrophobicContact CB-CB 4.5Å; Q637-V639 PolarHBondContact O-N 3.32Å
638	K	69.8	Low	76.1	Confident	149 Å²	149	64.7 Å²	64.7	65%	0.648	34%	0.337	S	S	*	.	S	Bend	trans	-64.4	-18.7	176.8	-71.2	-174.9	177.8	-179.4	0	113.3	E66	E66-K638 IonicContact OE2-NZ 2.72Å
639	V	74.5	Confident	75.8	Confident	18 Å²	18	66.9 Å²	66.9	11%	0.109	35%	0.352	C	S	.	.	S	Bend	trans	-109.9	129.4	-177.4	-176.1	0	0	0	0	107.3	A601 V605 Q637 V643 L644	A601-V639 HydrophobicContact CB-CB 3.96Å; A601-V639 HydrophobicContact CB-CG2 3.99Å; V605-V639 HydrophobicContact CG2-CG2 3.46Å; V605-V639 VanDerWaalsContact CG2-CG2 3.46Å; Q637-V639 PolarHBondContact O-N 3.32Å; V639-V643 HydrophobicContact CG1-CB 3.62Å; V639-V643 HydrophobicContact CG1-CG1 3.46Å; V639-V643 VanDerWaalsContact CG1-CG1 3.46Å; V639-L644 HydrophobicContact CB-CD2 4.37Å; V639-L644 HydrophobicContact CG1-CD2 3.87Å; V639-L644 HydrophobicContact CG1-CG 3.97Å
640	S	81.3	Confident	75.8	Confident	62 Å²	62	68.8 Å²	68.8	43%	0.434	36%	0.363	S	S	.	.			trans	-65.5	152.7	176.1	65.1	0	0	0	0	110.5	D642 V643 L644	S640-D642 PolarHBondContact O-N 3.07Å; S640-V643 PolarHBondContact O-N 3.21Å; S640-V643 VanDerWaalsContact O-N 3.12Å; S640-V643 VanDerWaalsContact OG-CG2 3.31Å; S640-V643 WeakPolarHBondContact OG-CG2 3.41Å; S640-V643 PolarHBondContact OG-N 3.33Å; S640-L644 PolarHBondContact O-N 2.97Å
641	Y	81	Confident	76.2	Confident	72 Å²	72	66.8 Å²	66.8	28%	0.282	35%	0.354	S	S	.	.	H	α-helix	trans	-53.7	-43.8	176.1	-173.3	-106	0	0	0	111.6	L459 M634 V643 L644 I645	L459-Y641 HydrophobicContact CD2-CE1 4.31Å; L459-Y641 WeakPolarHBondContact CG-OH 3.36Å; M634-Y641 HydrophobicContact CE-CD2 3.82Å; M634-Y641 HydrophobicContact CE-CE2 4.32Å; M634-Y641 HydrophobicContact SD-CD2 3.66Å; M634-Y641 HydrophobicContact SD-CE2 3.65Å; Y641-V643 VanDerWaalsContact C-N 3.29Å; Y641-V643 PolarHBondContact O-N 3.44Å; Y641-L644 WeakPolarHBondContact O-CA 3.36Å; Y641-L644 WeakPolarHBondContact O-CB 3.48Å; Y641-L644 PolarHBondContact O-N 3.28Å; Y641-I645 HydrophobicContact CD1-CD1 4.07Å; Y641-I645 HydrophobicContact CD1-CG1 3.83Å; Y641-I645 HydrophobicContact CD2-CD1 4.15Å; Y641-I645 HydrophobicContact CE1-CD1 3.75Å; Y641-I645 HydrophobicContact CE1-CG1 3.67Å; Y641-I645 HydrophobicContact CE2-CD1 3.82Å; Y641-I645 HydrophobicContact CG-CD1 4.28Å; Y641-I645 HydrophobicContact CG-CG1 4.4Å; Y641-I645 VanDerWaalsContact O-CG1 3.29Å; Y641-I645 WeakPolarHBondContact O-CG1 3.39Å; Y641-I645 PolarHBondContact O-N 2.9Å
642	D	80.2	Confident	76.9	Confident	121 Å²	121	69 Å²	69	65%	0.647	36%	0.361	S	S	*	.	H	α-helix	trans	-57.7	-38.3	179	-55.7	-41.6	0	0	0	113.4	S640 L644 I645 Q646	S640-D642 PolarHBondContact O-N 3.07Å; D642-L644 VanDerWaalsContact C-N 3.32Å; D642-I645 PolarHBondContact O-N 3.28Å; D642-Q646 WeakPolarHBondContact O-CB 3.35Å; D642-Q646 PolarHBondContact O-N 3.36Å
643	V	86	Confident	77.6	Confident	69 Å²	69	69.9 Å²	69.9	42%	0.418	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-35.5	177.6	171.3	0	0	0	0	110.9	V639 S640 Y641 A647	V639-V643 HydrophobicContact CG1-CB 3.62Å; V639-V643 HydrophobicContact CG1-CG1 3.46Å; V639-V643 VanDerWaalsContact CG1-CG1 3.46Å; S640-V643 PolarHBondContact O-N 3.21Å; S640-V643 VanDerWaalsContact O-N 3.12Å; S640-V643 VanDerWaalsContact OG-CG2 3.31Å; S640-V643 WeakPolarHBondContact OG-CG2 3.41Å; S640-V643 PolarHBondContact OG-N 3.33Å; Y641-V643 VanDerWaalsContact C-N 3.29Å; Y641-V643 PolarHBondContact O-N 3.44Å; V643-A647 VanDerWaalsContact O-CB 3.3Å; V643-A647 WeakPolarHBondContact O-CB 3.4Å; V643-A647 PolarHBondContact O-N 3.35Å
644	L	86.5	Confident	78.6	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.8	-43.2	175.4	-60.9	171.1	0	0	0	110.9	M597 L600 A601 I604 M634 V639 S640 Y641 D642 A647 I648	M597-L644 HydrophobicContact CG-CD1 4.11Å; M597-L644 HydrophobicContact SD-CB 4.17Å; M597-L644 HydrophobicContact SD-CD1 4.15Å; L600-L644 HydrophobicContact CB-CD2 4.45Å; L600-L644 HydrophobicContact CD2-CB 4.46Å; L600-L644 HydrophobicContact CD2-CD2 4.12Å; L600-L644 HydrophobicContact CG-CD2 3.97Å; A601-L644 HydrophobicContact CB-CD1 4.37Å; A601-L644 HydrophobicContact CB-CD2 3.81Å; I604-L644 HydrophobicContact CD1-CD2 3.73Å; M634-L644 HydrophobicContact CE-CD1 3.25Å; V639-L644 HydrophobicContact CB-CD2 4.37Å; V639-L644 HydrophobicContact CG1-CD2 3.87Å; V639-L644 HydrophobicContact CG1-CG 3.97Å; S640-L644 PolarHBondContact O-N 2.97Å; Y641-L644 WeakPolarHBondContact O-CA 3.36Å; Y641-L644 WeakPolarHBondContact O-CB 3.48Å; Y641-L644 PolarHBondContact O-N 3.28Å; D642-L644 VanDerWaalsContact C-N 3.32Å; L644-A647 WeakPolarHBondContact O-CB 3.43Å; L644-A647 PolarHBondContact O-N 3.16Å; L644-A647 VanDerWaalsContact O-N 3.15Å; L644-I648 WeakPolarHBondContact O-CG1 3.4Å; L644-I648 PolarHBondContact O-N 3.47Å
645	I	84.5	Confident	79.7	Confident	35 Å²	35	69.5 Å²	69.5	18%	0.179	36%	0.356	C	S	.	.	H	α-helix	trans	-64.7	-46.8	179.1	-53.7	-23.6	0	0	0	110	L459 Y641 D642 A647 I648 S649	L459-I645 HydrophobicContact CD2-CB 4.08Å; L459-I645 HydrophobicContact CD2-CD1 3.12Å; L459-I645 HydrophobicContact CD2-CG1 3.35Å; L459-I645 HydrophobicContact CD2-CG2 3.66Å; L459-I645 HydrophobicContact CG-CD1 4.23Å; Y641-I645 HydrophobicContact CD1-CD1 4.07Å; Y641-I645 HydrophobicContact CD1-CG1 3.83Å; Y641-I645 HydrophobicContact CD2-CD1 4.15Å; Y641-I645 HydrophobicContact CE1-CD1 3.75Å; Y641-I645 HydrophobicContact CE1-CG1 3.67Å; Y641-I645 HydrophobicContact CE2-CD1 3.82Å; Y641-I645 HydrophobicContact CG-CD1 4.28Å; Y641-I645 HydrophobicContact CG-CG1 4.4Å; Y641-I645 VanDerWaalsContact O-CG1 3.29Å; Y641-I645 WeakPolarHBondContact O-CG1 3.39Å; Y641-I645 PolarHBondContact O-N 2.9Å; D642-I645 PolarHBondContact O-N 3.28Å; I645-A647 PolarHBondContact O-N 2.99Å; I645-I648 PolarHBondContact O-N 2.96Å; I645-I648 VanDerWaalsContact O-N 3.16Å; I645-S649 WeakPolarHBondContact O-CB 3.38Å; I645-S649 PolarHBondContact O-N 3.42Å; I645-S649 PolarHBondContact O-OG 3.42Å; I645-S649 VanDerWaalsContact O-OG 3.05Å
646	Q	84.2	Confident	80.9	Confident	110 Å²	110	65.6 Å²	65.6	51%	0.514	36%	0.355	S	S	.	.	H	α-helix	trans	-59	-38.1	174.5	-172.7	63	59	0	0	112	D642 N650	D642-Q646 WeakPolarHBondContact O-CB 3.35Å; D642-Q646 PolarHBondContact O-N 3.36Å; Q646-N650 PolarHBondContact NE2-OD1 3.05Å; Q646-N650 VanDerWaalsContact O-CB 3.27Å; Q646-N650 WeakPolarHBondContact O-CB 3.44Å; Q646-N650 PolarHBondContact O-N 3.48Å; Q646-N650 PolarHBondContact O-ND2 3.36Å; Q646-N650 PolarHBondContact O-OD1 3.17Å
647	A	88.5	Confident	82.3	Confident	12 Å²	12	59.8 Å²	59.8	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-40.5	177.1	0	0	0	0	0	112.4	I604 F609 V643 L644 I645 A651	I604-A647 HydrophobicContact CD1-CB 3.6Å; I604-A647 HydrophobicContact CG1-CB 4.49Å; F609-A647 HydrophobicContact CE1-CB 4.02Å; F609-A647 HydrophobicContact CZ-CB 4.34Å; V643-A647 VanDerWaalsContact O-CB 3.3Å; V643-A647 WeakPolarHBondContact O-CB 3.4Å; V643-A647 PolarHBondContact O-N 3.35Å; L644-A647 WeakPolarHBondContact O-CB 3.43Å; L644-A647 PolarHBondContact O-N 3.16Å; L644-A647 VanDerWaalsContact O-N 3.15Å; I645-A647 PolarHBondContact O-N 2.99Å; A647-A651 WeakPolarHBondContact O-CB 3.43Å; A647-A651 PolarHBondContact O-N 3.49Å
648	I	87.6	Confident	83.3	Confident	17 Å²	17	59.9 Å²	59.9	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-66.7	-46.8	174.5	-66.9	165.9	0	0	0	110.3	M597 L600 I628 L644 I645 N650 A651 Q652 I659	M597-I648 HydrophobicContact CE-CD1 3.93Å; M597-I648 HydrophobicContact SD-CD1 4.06Å; L600-I648 HydrophobicContact CD2-CD1 3.84Å; L600-I648 HydrophobicContact CD2-CG1 3.73Å; I628-I648 HydrophobicContact CD1-CD1 4.23Å; I628-I648 HydrophobicContact CD1-CG1 4.23Å; I628-I648 HydrophobicContact CG1-CD1 4.11Å; I628-I648 HydrophobicContact CG1-CG1 4.35Å; I628-I648 HydrophobicContact CG2-CD1 4.27Å; L644-I648 WeakPolarHBondContact O-CG1 3.4Å; L644-I648 PolarHBondContact O-N 3.47Å; I645-I648 PolarHBondContact O-N 2.96Å; I645-I648 VanDerWaalsContact O-N 3.16Å; I648-N650 VanDerWaalsContact C-N 3.31Å; I648-N650 PolarHBondContact O-N 3.44Å; I648-A651 WeakPolarHBondContact O-CA 3.39Å; I648-A651 WeakPolarHBondContact O-CB 3.38Å; I648-A651 PolarHBondContact O-N 2.98Å; I648-Q652 PolarHBondContact O-N 3.06Å; I648-I659 HydrophobicContact CG2-CB 4.49Å; I648-I659 HydrophobicContact CG2-CD1 4.35Å; I648-I659 HydrophobicContact CG2-CG1 4.07Å; I648-I659 HydrophobicContact CG2-CG2 3.72Å
649	S	85.1	Confident	84.2	Confident	46 Å²	46	54 Å²	54	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-40.3	176.6	-58.8	0	0	0	0	112	I645 Q652 M653	I645-S649 WeakPolarHBondContact O-CB 3.38Å; I645-S649 PolarHBondContact O-N 3.42Å; I645-S649 PolarHBondContact O-OG 3.42Å; I645-S649 VanDerWaalsContact O-OG 3.05Å; S649-Q652 PolarHBondContact O-N 2.97Å; S649-M653 WeakPolarHBondContact O-CB 3.19Å; S649-M653 WeakPolarHBondContact O-CG 3.47Å; S649-M653 PolarHBondContact O-N 3.32Å
650	N	87.4	Confident	85	Confident	56 Å²	56	53.9 Å²	53.9	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-64.9	-40.2	173.7	-72.3	-13.4	0	0	0	111.4	Q646 I648 Q652 I654 D655	Q646-N650 PolarHBondContact NE2-OD1 3.05Å; Q646-N650 VanDerWaalsContact O-CB 3.27Å; Q646-N650 WeakPolarHBondContact O-CB 3.44Å; Q646-N650 PolarHBondContact O-N 3.48Å; Q646-N650 PolarHBondContact O-ND2 3.36Å; Q646-N650 PolarHBondContact O-OD1 3.17Å; I648-N650 VanDerWaalsContact C-N 3.31Å; I648-N650 PolarHBondContact O-N 3.44Å; N650-Q652 VanDerWaalsContact C-N 3.28Å; N650-Q652 PolarHBondContact O-N 3.48Å; N650-I654 HydrophobicContact CB-CD1 3.99Å; N650-I654 WeakPolarHBondContact O-CA 3.47Å; N650-I654 VanDerWaalsContact O-CB 3.24Å; N650-I654 WeakPolarHBondContact O-CB 3.48Å; N650-I654 PolarHBondContact O-N 2.66Å; N650-D655 PolarHBondContact O-N 2.9Å; N650-D655 VanDerWaalsContact O-N 3.11Å
651	A	86.4	Confident	85.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-35.7	175.5	0	0	0	0	0	112.4	F609 K613 A647 I648 D655 G656 L657 I659	F609-A651 HydrophobicContact CZ-CB 4.12Å; K613-A651 HydrophobicContact CD-CB 4.13Å; A647-A651 WeakPolarHBondContact O-CB 3.43Å; A647-A651 PolarHBondContact O-N 3.49Å; I648-A651 WeakPolarHBondContact O-CA 3.39Å; I648-A651 WeakPolarHBondContact O-CB 3.38Å; I648-A651 PolarHBondContact O-N 2.98Å; A651-D655 VanDerWaalsContact O-CB 3.26Å; A651-D655 WeakPolarHBondContact O-CB 3.49Å; A651-G656 PolarHBondContact O-N 3.07Å; A651-L657 HydrophobicContact CB-CD1 4.23Å; A651-L657 WeakPolarHBondContact O-CB 3.21Å; A651-L657 PolarHBondContact O-N 2.91Å; A651-I659 HydrophobicContact CB-CD1 4.21Å
652	Q	86.6	Confident	85.5	Confident	75 Å²	75	50.5 Å²	50.5	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-73.3	-54.9	175	-165.3	173.5	7.3	0	0	112	I648 S649 N650 G656 I659	I648-Q652 PolarHBondContact O-N 3.06Å; S649-Q652 PolarHBondContact O-N 2.97Å; N650-Q652 VanDerWaalsContact C-N 3.28Å; N650-Q652 PolarHBondContact O-N 3.48Å; Q652-G656 WeakPolarHBondContact O-CA 3.34Å; Q652-G656 PolarHBondContact O-N 3.18Å; Q652-I659 HydrophobicContact CB-CG1 3.71Å; Q652-I659 HydrophobicContact CG-CG1 4.05Å
653	M	79.7	Confident	85.5	Confident	146 Å²	146	47.6 Å²	47.6	72%	0.719	26%	0.263	S	S	*	.	H	α-helix	trans	-83.1	-39.5	-167.6	-65.8	-60.2	-60.3	0	0	114	S649	S649-M653 WeakPolarHBondContact O-CB 3.19Å; S649-M653 WeakPolarHBondContact O-CG 3.47Å; S649-M653 PolarHBondContact O-N 3.32Å
654	I	82.8	Confident	85.2	Confident	117 Å²	117	45.8 Å²	45.8	60%	0.6	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-41.7	-177.8	-54.8	175.7	0	0	0	109.5	N650	N650-I654 HydrophobicContact CB-CD1 3.99Å; N650-I654 WeakPolarHBondContact O-CA 3.47Å; N650-I654 VanDerWaalsContact O-CB 3.24Å; N650-I654 WeakPolarHBondContact O-CB 3.48Å; N650-I654 PolarHBondContact O-N 2.66Å
655	D	84.5	Confident	85	Confident	41 Å²	41	47.3 Å²	47.3	22%	0.219	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-16.4	-174.8	-64.7	-62	0	0	0	114.9	K613 K617 N650 A651 L657	K613-D655 WeakPolarHBondContact CE-OD2 3.4Å; K613-D655 IonicContact NZ-OD2 2.77Å; K613-D655 PolarHBondContact NZ-OD2 3.32Å; K617-D655 VanDerWaalsContact CE-CB 3.42Å; K617-D655 WeakPolarHBondContact CE-O 3.26Å; K617-D655 WeakPolarHBondContact CE-OD1 3.38Å; K617-D655 VanDerWaalsContact NZ-CB 3.3Å; K617-D655 PolarHBondContact NZ-O 3.25Å; K617-D655 VanDerWaalsContact NZ-O 3.16Å; K617-D655 IonicContact NZ-OD1 2.8Å; K617-D655 PolarHBondContact NZ-OD1 3.05Å; N650-D655 PolarHBondContact O-N 2.9Å; N650-D655 VanDerWaalsContact O-N 3.11Å; A651-D655 VanDerWaalsContact O-CB 3.26Å; A651-D655 WeakPolarHBondContact O-CB 3.49Å; D655-L657 VanDerWaalsContact C-N 3.28Å; D655-L657 HydrophobicContact CB-CD1 4.38Å; D655-L657 HydrophobicContact CB-CG 4Å
656	G	79.9	Confident	85	Confident	61 Å²	61	49.7 Å²	49.7	63%	0.629	27%	0.271	S	S	*	.			trans	71.7	20.7	-178.6	0	0	0	0	0	113.6	A651 Q652	A651-G656 PolarHBondContact O-N 3.07Å; Q652-G656 WeakPolarHBondContact O-CA 3.34Å; Q652-G656 PolarHBondContact O-N 3.18Å
657	L	85.7	Confident	85	Confident	5 Å²	5	45 Å²	45	3%	0.026	25%	0.249	C	C	.	.			trans	-79.6	140.5	176.9	-55.2	-177.2	0	0	0	110.2	K613 L624 Y626 A651 D655 I659	K613-L657 HydrophobicContact CB-CD1 4.43Å; K613-L657 HydrophobicContact CD-CD1 3.66Å; K613-L657 HydrophobicContact CG-CD1 3.73Å; L624-L657 HydrophobicContact CB-CD2 3.53Å; L624-L657 HydrophobicContact CD1-CD2 3.69Å; L624-L657 HydrophobicContact CG-CD2 4.26Å; Y626-L657 HydrophobicContact CD2-CD1 3.97Å; A651-L657 HydrophobicContact CB-CD1 4.23Å; A651-L657 WeakPolarHBondContact O-CB 3.21Å; A651-L657 PolarHBondContact O-N 2.91Å; D655-L657 VanDerWaalsContact C-N 3.28Å; D655-L657 HydrophobicContact CB-CD1 4.38Å; D655-L657 HydrophobicContact CB-CG 4Å; L657-I659 HydrophobicContact CB-CD1 4.3Å; L657-I659 PolarHBondContact O-N 3.43Å
658	H	88.2	Confident	85	Confident	45 Å²	45	44.4 Å²	44.4	21%	0.208	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	108.2	175.6	-173.6	79	0	0	0	109.8	Y289 L624 I625 Y626 M660	Y289-H658 AromaticContact CD2-CE1 3.8Å; Y289-H658 AromaticContact CD2-NE2 3.63Å; Y289-H658 AromaticContact CE2-CE1 3.9Å; Y289-H658 AromaticContact CE2-NE2 3.47Å; Y289-H658 WeakPolarHBondContact CE2-NE2 3.27Å; L624-H658 PolarHBondContact O-N 3.3Å; I625-H658 CarbonylContact C-O 3.36Å; I625-H658 VanDerWaalsContact CA-O 3.31Å; I625-H658 WeakPolarHBondContact CA-O 3.17Å; I625-H658 HydrophobicContact CG1-CB 4.34Å; Y626-H658 PolarHBondContact N-O 3.11Å; H658-M660 VanDerWaalsContact NE2-CE 3.26Å; H658-M660 WeakPolarHBondContact NE2-CE 3.41Å
659	I	88.6	Confident	85	Confident	26 Å²	26	43.6 Å²	43.6	13%	0.133	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.8	-178	-52.8	-54.6	0	0	0	110.1	Y626 I628 I648 A651 Q652 L657 T661	Y626-I659 HydrophobicContact CG-CD1 4.43Å; Y626-I659 WeakPolarHBondContact O-CA 3.4Å; I628-I659 HydrophobicContact CG1-CG2 4.2Å; I648-I659 HydrophobicContact CG2-CB 4.49Å; I648-I659 HydrophobicContact CG2-CD1 4.35Å; I648-I659 HydrophobicContact CG2-CG1 4.07Å; I648-I659 HydrophobicContact CG2-CG2 3.72Å; A651-I659 HydrophobicContact CB-CD1 4.21Å; Q652-I659 HydrophobicContact CB-CG1 3.71Å; Q652-I659 HydrophobicContact CG-CG1 4.05Å; L657-I659 HydrophobicContact CB-CD1 4.3Å; L657-I659 PolarHBondContact O-N 3.43Å; I659-T661 HydrophobicContact CG2-CG2 4.48Å
660	M	89.9	Confident	85.1	Confident	15 Å²	15	43.8 Å²	43.8	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.4	167.7	-68.7	-177.2	170.9	0	0	109.3	Y289 I625 Y626 L627 I628 H658 L671 L675	Y289-M660 HydrophobicContact CD2-CE 3.89Å; Y289-M660 HydrophobicContact CE2-CE 3.29Å; I625-M660 HydrophobicContact CD1-CE 4.41Å; I625-M660 HydrophobicContact CG2-CB 4.38Å; I625-M660 HydrophobicContact CG2-CG 4.02Å; I625-M660 HydrophobicContact CG2-SD 3.79Å; Y626-M660 PolarHBondContact O-N 2.87Å; L627-M660 CarbonylContact C-O 3.42Å; L627-M660 WeakPolarHBondContact CA-O 3.24Å; L627-M660 HydrophobicContact CD1-CB 3.91Å; I628-M660 PolarHBondContact N-O 3.45Å; H658-M660 VanDerWaalsContact NE2-CE 3.26Å; H658-M660 WeakPolarHBondContact NE2-CE 3.41Å; M660-L671 HydrophobicContact CB-CD2 4.21Å; M660-L671 HydrophobicContact SD-CD1 3.91Å; M660-L671 HydrophobicContact SD-CD2 3.78Å; M660-L671 HydrophobicContact SD-CG 4.26Å; M660-L675 HydrophobicContact CE-CD2 4.34Å; M660-L675 HydrophobicContact SD-CD1 4.4Å
661	T	85.6	Confident	85.2	Confident	58 Å²	58	41.5 Å²	41.5	36%	0.356	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.5	179.3	57.5	0	0	0	0	110.5	I628 I659	I628-T661 HydrophobicContact CB-CG2 4.21Å; I628-T661 CarbonylContact O-C 3.55Å; I628-T661 VanDerWaalsContact O-CA 3.28Å; I628-T661 WeakPolarHBondContact O-CA 3.33Å; I659-T661 HydrophobicContact CG2-CG2 4.48Å
662	T	87	Confident	85.4	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.5	176.6	49.8	0	0	0	0	109.5	L627 I628 E629 E630 D667 T668 L671	L627-T662 HydrophobicContact CD1-CG2 3.68Å; I628-T662 PolarHBondContact O-N 2.85Å; I628-T662 PolarHBondContact O-OG1 2.63Å; E629-T662 WeakPolarHBondContact CA-O 3.39Å; E630-T662 PolarHBondContact N-O 2.87Å; T662-D667 HydrophobicContact CG2-CB 3.95Å; T662-T668 PolarHBondContact OG1-OG1 3.06Å; T662-L671 HydrophobicContact CG2-CD2 4.01Å
663	K	81.8	Confident	85.6	Confident	61 Å²	61	38 Å²	38	27%	0.265	21%	0.209	S	C	.	.	S	Bend	trans	-93.8	-22.6	-177.7	-55.4	-178.2	175.6	-167.3	0	112.7	T453 S455 D667	T453-K663 PolarHBondContact O-NZ 2.85Å; S455-K663 WeakPolarHBondContact O-CE 3.06Å; S455-K663 PolarHBondContact O-NZ 3.21Å; S455-K663 PolarHBondContact OG-NZ 3.32Å; K663-D667 VanDerWaalsContact CB-OD2 3.31Å; K663-D667 WeakPolarHBondContact CB-OD2 3.36Å; K663-D667 PolarHBondContact N-OD2 3.1Å; K663-D667 VanDerWaalsContact N-OD2 3.08Å
664	S	79.2	Confident	86	Confident	30 Å²	30	31 Å²	31	21%	0.21	18%	0.175	C	C	.	.	S	Bend	trans	-145.4	164.5	-174.5	76.4	0	0	0	0	110.6	E666 D667 T668	S664-E666 WeakPolarHBondContact CB-OE2 3.35Å; S664-E666 PolarHBondContact O-N 3.18Å; S664-E666 PolarHBondContact OG-N 3.49Å; S664-E666 PolarHBondContact OG-OE2 3.28Å; S664-D667 PolarHBondContact N-OD2 3.24Å; S664-D667 PolarHBondContact O-N 3.14Å; S664-D667 PolarHBondContact OG-N 2.98Å; S664-D667 VanDerWaalsContact OG-N 3.08Å; S664-D667 PolarHBondContact OG-OD1 3.41Å; S664-D667 PolarHBondContact OG-OD2 3.05Å; S664-T668 PolarHBondContact O-N 3.24Å; S664-T668 VanDerWaalsContact O-N 3.15Å; S664-T668 PolarHBondContact O-OG1 3.24Å
665	H	81.8	Confident	86.4	Confident	32 Å²	32	25.9 Å²	25.9	15%	0.148	15%	0.149	C	C	.	.	H	α-helix	trans	-68.9	-24.6	171.9	51.6	70.3	0	0	0	112.2	K544 V545 M548 T668 V669	K544-H665 VanDerWaalsContact CB-CE1 3.48Å; K544-H665 WeakPolarHBondContact CB-CE1 3.45Å; K544-H665 WeakPolarHBondContact CD-CE1 3.38Å; K544-H665 WeakPolarHBondContact CD-NE2 3.44Å; V545-H665 HydrophobicContact CG2-CB 3.35Å; M548-H665 HydrophobicContact CE-CB 4.31Å; M548-H665 WeakPolarHBondContact CE-ND1 3.44Å; M548-H665 WeakPolarHBondContact CE-O 3.5Å; H665-T668 WeakPolarHBondContact O-CB 3.26Å; H665-V669 WeakPolarHBondContact O-CG2 3.25Å; H665-V669 PolarHBondContact O-N 3.14Å; H665-V669 VanDerWaalsContact O-N 3.16Å
666	E	84	Confident	86.8	Confident	86 Å²	86	24 Å²	24	40%	0.402	14%	0.138	S	C	.	.	H	α-helix	trans	-63.6	-50.6	170.8	-68.6	84.9	174.5	0	0	110.7	M548 S664 T668 V669 D670	M548-E666 HydrophobicContact CE-CB 4.49Å; M548-E666 HydrophobicContact CE-CG 4.07Å; M548-E666 HydrophobicContact SD-CG 4Å; S664-E666 WeakPolarHBondContact CB-OE2 3.35Å; S664-E666 PolarHBondContact O-N 3.18Å; S664-E666 PolarHBondContact OG-N 3.49Å; S664-E666 PolarHBondContact OG-OE2 3.28Å; E666-T668 PolarHBondContact O-N 3.18Å; E666-V669 PolarHBondContact O-N 3.06Å; E666-D670 PolarHBondContact O-N 3.36Å
667	D	84.8	Confident	87.3	Confident	10 Å²	10	24 Å²	24	5%	0.053	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-38.1	177.9	-53.9	-5	0	0	0	110.9	P452 T662 K663 S664 D670 L671	P452-D667 WeakPolarHBondContact CB-OD1 3.48Å; T662-D667 HydrophobicContact CG2-CB 3.95Å; K663-D667 VanDerWaalsContact CB-OD2 3.31Å; K663-D667 WeakPolarHBondContact CB-OD2 3.36Å; K663-D667 PolarHBondContact N-OD2 3.1Å; K663-D667 VanDerWaalsContact N-OD2 3.08Å; S664-D667 PolarHBondContact N-OD2 3.24Å; S664-D667 PolarHBondContact O-N 3.14Å; S664-D667 PolarHBondContact OG-N 2.98Å; S664-D667 VanDerWaalsContact OG-N 3.08Å; S664-D667 PolarHBondContact OG-OD1 3.41Å; S664-D667 PolarHBondContact OG-OD2 3.05Å; D667-D670 PolarHBondContact O-N 2.9Å; D667-L671 VanDerWaalsContact O-CB 3.3Å; D667-L671 WeakPolarHBondContact O-CB 3.49Å; D667-L671 PolarHBondContact O-N 3.43Å
668	T	87.9	Confident	87.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-45.5	173.9	-73.1	0	0	0	0	111.9	V545 L627 E629 T662 S664 H665 E666 L671 L672	V545-T668 HydrophobicContact CG1-CG2 4.15Å; V545-T668 HydrophobicContact CG2-CG2 4.27Å; L627-T668 HydrophobicContact CD2-CG2 3.68Å; E629-T668 PolarHBondContact OE2-OG1 3.05Å; T662-T668 PolarHBondContact OG1-OG1 3.06Å; S664-T668 PolarHBondContact O-N 3.24Å; S664-T668 VanDerWaalsContact O-N 3.15Å; S664-T668 PolarHBondContact O-OG1 3.24Å; H665-T668 WeakPolarHBondContact O-CB 3.26Å; E666-T668 PolarHBondContact O-N 3.18Å; T668-L671 PolarHBondContact O-N 3.01Å; T668-L672 HydrophobicContact CG2-CD1 4.12Å; T668-L672 VanDerWaalsContact O-CG 3.3Å; T668-L672 WeakPolarHBondContact O-CG 3.4Å; T668-L672 PolarHBondContact O-N 2.92Å
669	V	88.9	Confident	87.4	Confident	1 Å²	1	27 Å²	27	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-68.1	-40.5	179.6	171.4	0	0	0	0	111.1	V545 M548 L549 V552 F553 H665 E666 L671 L672 A673	V545-V669 HydrophobicContact CB-CG2 4.37Å; V545-V669 HydrophobicContact CG1-CG2 3.77Å; M548-V669 HydrophobicContact CB-CG2 4.22Å; M548-V669 HydrophobicContact CE-CB 4.42Å; M548-V669 HydrophobicContact CE-CG2 3.79Å; L549-V669 HydrophobicContact CD2-CG1 4.24Å; L549-V669 HydrophobicContact CD2-CG2 4.22Å; L549-V669 HydrophobicContact CG-CG2 4.39Å; V552-V669 HydrophobicContact CB-CG1 3.69Å; V552-V669 HydrophobicContact CG1-CG1 3.88Å; V552-V669 HydrophobicContact CG2-CG1 3.69Å; F553-V669 HydrophobicContact CE2-CG1 4.41Å; H665-V669 WeakPolarHBondContact O-CG2 3.25Å; H665-V669 PolarHBondContact O-N 3.14Å; H665-V669 VanDerWaalsContact O-N 3.16Å; E666-V669 PolarHBondContact O-N 3.06Å; V669-L671 VanDerWaalsContact C-N 3.35Å; V669-L672 PolarHBondContact O-N 3.19Å; V669-A673 WeakPolarHBondContact O-CB 3.48Å; V669-A673 PolarHBondContact O-N 3.09Å
670	D	87.3	Confident	87.5	Confident	49 Å²	49	28.6 Å²	28.6	26%	0.262	14%	0.137	S	C	.	.	H	α-helix	trans	-63.2	-41.5	176.6	-74.5	-16.6	0	0	0	111.7	E666 D667 A673 A674	E666-D670 PolarHBondContact O-N 3.36Å; D667-D670 PolarHBondContact O-N 2.9Å; D670-A673 PolarHBondContact O-N 3.42Å; D670-A674 WeakPolarHBondContact O-CB 3.16Å; D670-A674 PolarHBondContact O-N 3.23Å
671	L	88.7	Confident	87.4	Confident	8 Å²	8	31.2 Å²	31.2	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-47.9	173.9	176.7	65.1	0	0	0	111.8	I335 L627 M660 T662 D667 T668 V669 A673 A674 L675	I335-L671 HydrophobicContact CG2-CB 4.25Å; I335-L671 HydrophobicContact CG2-CD1 3.8Å; L627-L671 HydrophobicContact CD1-CD2 3.61Å; L627-L671 HydrophobicContact CD2-CD2 4.29Å; M660-L671 HydrophobicContact CB-CD2 4.21Å; M660-L671 HydrophobicContact SD-CD1 3.91Å; M660-L671 HydrophobicContact SD-CD2 3.78Å; M660-L671 HydrophobicContact SD-CG 4.26Å; T662-L671 HydrophobicContact CG2-CD2 4.01Å; D667-L671 VanDerWaalsContact O-CB 3.3Å; D667-L671 WeakPolarHBondContact O-CB 3.49Å; D667-L671 PolarHBondContact O-N 3.43Å; T668-L671 PolarHBondContact O-N 3.01Å; V669-L671 VanDerWaalsContact C-N 3.35Å; L671-A673 VanDerWaalsContact C-N 3.28Å; L671-A673 PolarHBondContact O-N 3.34Å; L671-A674 PolarHBondContact O-N 2.84Å; L671-L675 HydrophobicContact CD1-CD1 4.35Å; L671-L675 HydrophobicContact CD1-CG 4.36Å; L671-L675 HydrophobicContact CG-CD1 4.21Å; L671-L675 WeakPolarHBondContact O-CB 3.47Å; L671-L675 WeakPolarHBondContact O-CG 3.23Å; L671-L675 PolarHBondContact O-N 3.31Å
672	L	91.6	Very high	87.4	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-37.1	176.9	-71.4	172.4	0	0	0	111.9	L549 F553 F570 W572 V592 T668 V669 S676	L549-L672 HydrophobicContact CD2-CD1 4.22Å; F553-L672 HydrophobicContact CZ-CB 4.25Å; F570-L672 HydrophobicContact CB-CD2 4.22Å; F570-L672 HydrophobicContact CD1-CD1 4.06Å; F570-L672 HydrophobicContact CD2-CD1 4.08Å; F570-L672 HydrophobicContact CD2-CD2 4.12Å; F570-L672 HydrophobicContact CE1-CD1 3.95Å; F570-L672 HydrophobicContact CE2-CD1 3.96Å; F570-L672 HydrophobicContact CG-CD1 4.13Å; F570-L672 HydrophobicContact CG-CD2 4.06Å; F570-L672 HydrophobicContact CZ-CD1 3.9Å; W572-L672 HydrophobicContact CH2-CD2 4.32Å; V592-L672 HydrophobicContact CG2-CD2 4.34Å; T668-L672 HydrophobicContact CG2-CD1 4.12Å; T668-L672 VanDerWaalsContact O-CG 3.3Å; T668-L672 WeakPolarHBondContact O-CG 3.4Å; T668-L672 PolarHBondContact O-N 2.92Å; V669-L672 PolarHBondContact O-N 3.19Å; L672-S676 WeakPolarHBondContact O-CB 3.32Å; L672-S676 PolarHBondContact O-N 3.06Å; L672-S676 PolarHBondContact O-OG 2.96Å
673	A	90	Very high	87.4	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-67.3	-44.1	175.7	0	0	0	0	0	111.6	V552 F553 I558 V669 D670 L671 S676 R677	V552-A673 HydrophobicContact CG1-CB 4.32Å; F553-A673 HydrophobicContact CE2-CB 4.08Å; I558-A673 HydrophobicContact CD1-CB 3.9Å; I558-A673 WeakPolarHBondContact CD1-O 3.32Å; V669-A673 WeakPolarHBondContact O-CB 3.48Å; V669-A673 PolarHBondContact O-N 3.09Å; D670-A673 PolarHBondContact O-N 3.42Å; L671-A673 VanDerWaalsContact C-N 3.28Å; L671-A673 PolarHBondContact O-N 3.34Å; A673-S676 PolarHBondContact O-N 2.8Å; A673-R677 WeakPolarHBondContact O-CG 3.48Å; A673-R677 PolarHBondContact O-N 2.96Å
674	A	88.7	Confident	87.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-46.3	176.3	0	0	0	0	0	111.8	E332 I335 I336 D670 L671 S676 R677 R678	E332-A674 HydrophobicContact CB-CB 4.41Å; E332-A674 HydrophobicContact CG-CB 4.31Å; I335-A674 HydrophobicContact CD1-CB 4.37Å; I335-A674 HydrophobicContact CG2-CB 4.49Å; I336-A674 HydrophobicContact CD1-CB 4.17Å; I336-A674 HydrophobicContact CG1-CB 4.09Å; D670-A674 WeakPolarHBondContact O-CB 3.16Å; D670-A674 PolarHBondContact O-N 3.23Å; L671-A674 PolarHBondContact O-N 2.84Å; A674-S676 VanDerWaalsContact C-N 3.31Å; A674-S676 PolarHBondContact O-N 3.46Å; A674-R677 PolarHBondContact O-N 3.5Å; A674-R678 WeakPolarHBondContact O-CB 3.17Å; A674-R678 PolarHBondContact O-N 2.86Å
675	L	91.4	Very high	88	Confident	9 Å²	9	35.4 Å²	35.4	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-42.8	174.9	-72.8	174	0	0	0	111.6	I336 W572 I625 M660 L671 R678 L679	I336-L675 HydrophobicContact CD1-CD2 4.32Å; I336-L675 HydrophobicContact CG1-CD2 4.15Å; I336-L675 HydrophobicContact CG2-CD2 4.25Å; W572-L675 HydrophobicContact CH2-CB 3.92Å; W572-L675 HydrophobicContact CH2-CD1 3.92Å; W572-L675 HydrophobicContact CZ2-CB 3.69Å; W572-L675 HydrophobicContact CZ2-CD1 4.48Å; I625-L675 HydrophobicContact CD1-CD1 4.23Å; M660-L675 HydrophobicContact CE-CD2 4.34Å; M660-L675 HydrophobicContact SD-CD1 4.4Å; L671-L675 HydrophobicContact CD1-CD1 4.35Å; L671-L675 HydrophobicContact CD1-CG 4.36Å; L671-L675 HydrophobicContact CG-CD1 4.21Å; L671-L675 WeakPolarHBondContact O-CB 3.47Å; L671-L675 WeakPolarHBondContact O-CG 3.23Å; L671-L675 PolarHBondContact O-N 3.31Å; L675-R678 PolarHBondContact O-N 2.73Å; L675-L679 WeakPolarHBondContact O-CG 3.08Å; L675-L679 PolarHBondContact O-N 3.08Å
676	S	92	Very high	88.4	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-44.6	177.8	-60.4	0	0	0	0	112.3	W572 L672 A673 A674 R678 L679 Q680	W572-S676 PolarHBondContact NE1-OG 3.33Å; L672-S676 WeakPolarHBondContact O-CB 3.32Å; L672-S676 PolarHBondContact O-N 3.06Å; L672-S676 PolarHBondContact O-OG 2.96Å; A673-S676 PolarHBondContact O-N 2.8Å; A674-S676 VanDerWaalsContact C-N 3.31Å; A674-S676 PolarHBondContact O-N 3.46Å; S676-R678 VanDerWaalsContact C-N 3.31Å; S676-R678 PolarHBondContact O-N 3.18Å; S676-L679 PolarHBondContact O-N 2.97Å; S676-Q680 VanDerWaalsContact O-CG 3.32Å; S676-Q680 WeakPolarHBondContact O-CG 3.39Å; S676-Q680 PolarHBondContact O-N 3.15Å
677	R	89.5	Confident	88.7	Confident	63 Å²	63	33.2 Å²	33.2	24%	0.238	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-40.4	175.6	-72.5	-165.2	-64.7	-82	5	111.8	E332 C556 I558 A673 A674 L679 Q680 S681	E332-R677 IonicContact OE1-CZ 3.63Å; E332-R677 IonicContact OE1-NE 3.44Å; E332-R677 PolarHBondContact OE1-NE 3.48Å; E332-R677 IonicContact OE1-NH2 3.14Å; E332-R677 PolarHBondContact OE1-NH2 2.77Å; C556-R677 PolarHBondContact SG-NH1 2.99Å; I558-R677 HydrophobicContact CD1-CG 4.09Å; I558-R677 HydrophobicContact CG1-CG 4.41Å; A673-R677 WeakPolarHBondContact O-CG 3.48Å; A673-R677 PolarHBondContact O-N 2.96Å; A674-R677 PolarHBondContact O-N 3.5Å; R677-L679 VanDerWaalsContact C-N 3.29Å; R677-L679 PolarHBondContact O-N 3.06Å; R677-Q680 PolarHBondContact O-N 2.75Å; R677-S681 PolarHBondContact O-N 2.87Å
678	R	87.6	Confident	88.9	Confident	99 Å²	99	35.5 Å²	35.5	37%	0.374	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-35.8	177.4	-171.5	65.5	174.8	109.7	-4.8	112.5	I336 A674 L675 S676 S681	I336-R678 HydrophobicContact CD1-CB 4.09Å; I336-R678 HydrophobicContact CD1-CG 4.37Å; A674-R678 WeakPolarHBondContact O-CB 3.17Å; A674-R678 PolarHBondContact O-N 2.86Å; L675-R678 PolarHBondContact O-N 2.73Å; S676-R678 VanDerWaalsContact C-N 3.31Å; S676-R678 PolarHBondContact O-N 3.18Å; R678-S681 PolarHBondContact NH1-OG 3.28Å; R678-S681 PolarHBondContact O-OG 3.07Å
679	L	90.1	Very high	88.9	Confident	12 Å²	12	35.5 Å²	35.5	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-74.7	-40.7	174.2	-69.2	172.7	0	0	0	111.6	I530 W572 L588 Q590 L675 S676 R677 S681 R682	I530-L679 HydrophobicContact CD1-CB 4.13Å; I530-L679 WeakPolarHBondContact CD1-O 3.27Å; I530-L679 HydrophobicContact CG2-CB 4.37Å; W572-L679 HydrophobicContact CB-CD1 3.99Å; W572-L679 HydrophobicContact CD2-CD1 3.43Å; W572-L679 VanDerWaalsContact CD2-CD1 3.43Å; W572-L679 HydrophobicContact CE3-CD1 3.97Å; W572-L679 HydrophobicContact CG-CD1 3.43Å; W572-L679 VanDerWaalsContact CG-CD1 3.43Å; W572-L679 HydrophobicContact CZ2-CD1 4.44Å; L588-L679 HydrophobicContact CD2-CD2 4.31Å; Q590-L679 HydrophobicContact CG-CD1 4.39Å; Q590-L679 HydrophobicContact CG-CD2 4.42Å; L675-L679 WeakPolarHBondContact O-CG 3.08Å; L675-L679 PolarHBondContact O-N 3.08Å; S676-L679 PolarHBondContact O-N 2.97Å; R677-L679 VanDerWaalsContact C-N 3.29Å; R677-L679 PolarHBondContact O-N 3.06Å; L679-S681 PolarHBondContact O-N 3.03Å; L679-R682 WeakPolarHBondContact O-CA 2.96Å; L679-R682 WeakPolarHBondContact O-CB 3.25Å; L679-R682 PolarHBondContact O-N 2.8Å
680	Q	89.5	Confident	88.8	Confident	61 Å²	61	36.7 Å²	36.7	29%	0.285	19%	0.187	S	C	.	.	H	α-helix	trans	-57.9	-34.7	174.7	-75.2	175.4	-24.2	0	0	112.4	S676 R677 R682 V683	S676-Q680 VanDerWaalsContact O-CG 3.32Å; S676-Q680 WeakPolarHBondContact O-CG 3.39Å; S676-Q680 PolarHBondContact O-N 3.15Å; R677-Q680 PolarHBondContact O-N 2.75Å; Q680-R682 PolarHBondContact O-N 2.81Å; Q680-V683 WeakPolarHBondContact O-CB 3.43Å; Q680-V683 VanDerWaalsContact O-CG2 3.24Å; Q680-V683 WeakPolarHBondContact O-CG2 3.34Å; Q680-V683 PolarHBondContact O-N 2.78Å; Q680-V683 VanDerWaalsContact O-N 3.09Å
681	S	87.1	Confident	88.6	Confident	70 Å²	70	38.1 Å²	38.1	49%	0.49	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.7	174.9	92.4	0	0	0	0	113.8	R677 R678 L679	R677-S681 PolarHBondContact O-N 2.87Å; R678-S681 PolarHBondContact NH1-OG 3.28Å; R678-S681 PolarHBondContact O-OG 3.07Å; L679-S681 PolarHBondContact O-N 3.03Å
682	R	85.8	Confident	88	Confident	96 Å²	96	44.2 Å²	44.2	36%	0.362	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-1.6	178.1	-56	-176.4	-178.2	-165.6	-1.4	113.3	Y528 L679 Q680 S684 S685 V704	Y528-R682 PolarHBondContact OH-O 3.37Å; L679-R682 WeakPolarHBondContact O-CA 2.96Å; L679-R682 WeakPolarHBondContact O-CB 3.25Å; L679-R682 PolarHBondContact O-N 2.8Å; Q680-R682 PolarHBondContact O-N 2.81Å; R682-S684 PolarHBondContact O-N 3.31Å; R682-S684 VanDerWaalsContact O-N 3.15Å; R682-S685 WeakPolarHBondContact O-CB 3.45Å; R682-S685 PolarHBondContact O-N 3.28Å; R682-V704 HydrophobicContact CB-CG2 3.84Å
683	V	87.4	Confident	86.7	Confident	28 Å²	28	49.3 Å²	49.3	17%	0.17	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26	-179.9	171.2	0	0	0	0	112.3	G525 N526 Y528 I530 Q680 S685	G525-V683 WeakPolarHBondContact CA-O 3.33Å; N526-V683 PolarHBondContact N-O 3.09Å; Y528-V683 HydrophobicContact CE2-CG1 4.46Å; Y528-V683 HydrophobicContact CE2-CG2 4.34Å; Y528-V683 WeakPolarHBondContact O-CG1 3.46Å; Y528-V683 PolarHBondContact OH-O 3.2Å; I530-V683 HydrophobicContact CB-CG2 4.38Å; I530-V683 HydrophobicContact CD1-CG2 3.53Å; I530-V683 HydrophobicContact CG1-CG2 3.78Å; Q680-V683 WeakPolarHBondContact O-CB 3.43Å; Q680-V683 VanDerWaalsContact O-CG2 3.24Å; Q680-V683 WeakPolarHBondContact O-CG2 3.34Å; Q680-V683 PolarHBondContact O-N 2.78Å; Q680-V683 VanDerWaalsContact O-N 3.09Å; V683-S685 PolarHBondContact O-N 3.13Å
684	S	87.8	Confident	85.1	Confident	76 Å²	76	51.2 Å²	51.2	53%	0.531	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.3	175	56.7	0	0	0	0	113.9	N526 R682	N526-S684 WeakPolarHBondContact OD1-CA 3.32Å; R682-S684 PolarHBondContact O-N 3.31Å; R682-S684 VanDerWaalsContact O-N 3.15Å
685	S	87	Confident	83.3	Confident	40 Å²	40	56.7 Å²	56.7	28%	0.28	28%	0.28	S	S	.	.	S	Bend	trans	-86.6	153.1	178.7	-61.4	0	0	0	0	111.5	G525 Y528 R682 V683	G525-S685 WeakPolarHBondContact CA-O 3.37Å; Y528-S685 WeakPolarHBondContact CE1-O 3.02Å; Y528-S685 PolarHBondContact OH-O 3.49Å; R682-S685 WeakPolarHBondContact O-CB 3.45Å; R682-S685 PolarHBondContact O-N 3.28Å; V683-S685 PolarHBondContact O-N 3.13Å
686	D	89.3	Confident	81.2	Confident	73 Å²	73	63 Å²	63	39%	0.39	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-65.2	140.7	174.3	-65	-21.3	0	0	0	111.7	V522 P524 G525 Y688 V704	V522-D686 HydrophobicContact CG1-CB 4.09Å; P524-D686 WeakPolarHBondContact CA-OD1 3.45Å; G525-D686 PolarHBondContact N-OD1 3.34Å; D686-Y688 HydrophobicContact CB-CE2 4.09Å; D686-V704 PolarHBondContact O-N 2.88Å
687	L	89.5	Confident	79.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.2	-179.7	171.4	78.4	0	0	0	110.2	V522 V523 Y528 A574 W576 V689 V704 A706	V522-L687 CarbonylContact C-O 3.59Å; V522-L687 WeakPolarHBondContact CA-O 3.48Å; V523-L687 HydrophobicContact CB-CB 4.13Å; V523-L687 HydrophobicContact CB-CD2 4.15Å; V523-L687 HydrophobicContact CG2-CD2 4.36Å; V523-L687 PolarHBondContact N-O 2.76Å; V523-L687 PolarHBondContact O-N 3.34Å; Y528-L687 HydrophobicContact CD1-CB 3.96Å; Y528-L687 HydrophobicContact CD1-CD2 4.3Å; Y528-L687 HydrophobicContact CD2-CD2 4.32Å; Y528-L687 HydrophobicContact CE1-CB 3.57Å; Y528-L687 HydrophobicContact CE2-CB 4.41Å; Y528-L687 HydrophobicContact CG-CD2 4.14Å; A574-L687 HydrophobicContact CB-CD1 4.08Å; A574-L687 HydrophobicContact CB-CD2 3.45Å; A574-L687 VanDerWaalsContact CB-CD2 3.45Å; A574-L687 HydrophobicContact CB-CG 4.43Å; W576-L687 HydrophobicContact CE3-CD2 4.33Å; W576-L687 HydrophobicContact CZ3-CD2 4.3Å; L687-V689 HydrophobicContact CD2-CG2 3.75Å; L687-V689 HydrophobicContact CG-CG2 3.83Å; L687-V704 CarbonylContact C-O 3.55Å; L687-V704 WeakPolarHBondContact CA-O 3.31Å; L687-V704 HydrophobicContact CD1-CB 4.07Å; L687-V704 HydrophobicContact CD1-CG1 3.63Å; L687-A706 HydrophobicContact CD1-CB 3.69Å
688	Y	89.3	Confident	77	Confident	58 Å²	58	67.3 Å²	67.3	23%	0.227	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	108.7	178.3	-70.6	-103.9	0	0	0	109.4	T520 V522 D686 T703 V704 A706	T520-Y688 HydrophobicContact CG2-CD1 4.15Å; V522-Y688 HydrophobicContact CG1-CE1 4.38Å; V522-Y688 HydrophobicContact CG1-CE2 4.43Å; V522-Y688 HydrophobicContact CG2-CD1 3.73Å; V522-Y688 HydrophobicContact CG2-CE1 3.56Å; D686-Y688 HydrophobicContact CB-CE2 4.09Å; Y688-T703 HydrophobicContact CD2-CG2 3.91Å; Y688-T703 HydrophobicContact CE2-CG2 3.35Å; Y688-V704 PolarHBondContact N-O 3.3Å; Y688-A706 PolarHBondContact O-N 3.49Å
689	V	89.1	Confident	75.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117	-177.1	-175.8	0	0	0	0	110.2	T520 L521 V523 W576 A586 L687 Y691 A706	T520-V689 CarbonylContact C-O 3.56Å; T520-V689 WeakPolarHBondContact CA-O 3.29Å; L521-V689 HydrophobicContact CB-CB 4.34Å; L521-V689 PolarHBondContact N-O 3.17Å; L521-V689 PolarHBondContact O-N 2.92Å; V523-V689 HydrophobicContact CG2-CG2 4.29Å; W576-V689 HydrophobicContact CH2-CB 4.47Å; W576-V689 HydrophobicContact CH2-CG1 4.24Å; W576-V689 HydrophobicContact CH2-CG2 3.77Å; W576-V689 HydrophobicContact CZ2-CG2 4.43Å; W576-V689 HydrophobicContact CZ3-CG2 4.13Å; A586-V689 HydrophobicContact CB-CB 4.38Å; A586-V689 HydrophobicContact CB-CG1 3.63Å; A586-V689 HydrophobicContact CB-CG2 3.86Å; L687-V689 HydrophobicContact CD2-CG2 3.75Å; L687-V689 HydrophobicContact CG-CG2 3.83Å; V689-Y691 HydrophobicContact CB-CE2 4.26Å; V689-Y691 HydrophobicContact CG1-CD2 4.32Å; V689-Y691 HydrophobicContact CG1-CE1 4.08Å; V689-Y691 HydrophobicContact CG1-CE2 3.73Å; V689-A706 WeakPolarHBondContact CA-O 3.48Å
690	N	86.6	Confident	73.3	Confident	26 Å²	26	75.1 Å²	75.1	14%	0.139	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.9	176.4	-61.4	-45.7	0	0	0	110.2	T520 I697 A706 G708	T520-N690 WeakPolarHBondContact CG2-OD1 3.25Å; T520-N690 PolarHBondContact OG1-OD1 3.28Å; N690-I697 HydrophobicContact CB-CD1 4.07Å; N690-I697 VanDerWaalsContact CG-CD1 3.42Å; N690-I697 WeakPolarHBondContact OD1-CD1 2.97Å; N690-A706 PolarHBondContact N-O 3.04Å; N690-G708 PolarHBondContact O-N 3.22Å
691	Y	82.2	Confident	71.2	Confident	78 Å²	78	79.8 Å²	79.8	31%	0.306	41%	0.409	S	S	.	.	S	Bend	trans	-103.5	-6.2	-179.5	-71	-77.4	0	0	0	114.2	L519 L521 V689	L519-Y691 PolarHBondContact O-N 2.95Å; L521-Y691 HydrophobicContact CB-CE2 3.82Å; L521-Y691 HydrophobicContact CD2-CE2 4.15Å; V689-Y691 HydrophobicContact CB-CE2 4.26Å; V689-Y691 HydrophobicContact CG1-CD2 4.32Å; V689-Y691 HydrophobicContact CG1-CE1 4.08Å; V689-Y691 HydrophobicContact CG1-CE2 3.73Å
692	K	75.7	Confident	69.6	Low	136 Å²	136	83.1 Å²	83.1	59%	0.591	42%	0.422	S	S	*	.	S	Bend	trans	-139.5	140.6	168.4	-69.9	-174.1	178.3	178.9	0	107.8	L519 S694	L519-K692 HydrophobicContact CD2-CB 4.08Å; L519-K692 HydrophobicContact CD2-CD 3.99Å; L519-K692 HydrophobicContact CD2-CG 4.37Å; K692-S694 PolarHBondContact O-N 3.01Å
693	K	64.8	Low	68.7	Low	109 Å²	109	80 Å²	80	47%	0.474	41%	0.413	S	S	.	.			trans	-66.1	99.9	170.3	-168.1	173.9	-175.8	175.6	0	108.5	L715	K693-L715 HydrophobicContact CD-CD1 4.35Å
694	S	56.3	Low	68.4	Low	40 Å²	40	79.1 Å²	79.1	28%	0.28	41%	0.408	S	S	.	.			trans	-106.7	133	162.8	-174.8	0	0	0	0	107.5	K692 D696	K692-S694 PolarHBondContact O-N 3.01Å; S694-D696 PolarHBondContact O-N 3.18Å; S694-D696 PolarHBondContact OG-N 3.09Å
695	N	51.5	Low	68.3	Low	116 Å²	116	76.6 Å²	76.6	62%	0.62	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.4	175.4	-68.8	-14.1	0	0	0	111.8
696	D	47	Very low	68.5	Low	141 Å²	141	74.9 Å²	74.9	75%	0.754	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	17.6	-171.6	-60	-34	0	0	0	114	S694 P698	S694-D696 PolarHBondContact O-N 3.18Å; S694-D696 PolarHBondContact OG-N 3.09Å; D696-P698 VanDerWaalsContact O-CD 3.25Å; D696-P698 WeakPolarHBondContact O-CD 2.93Å
697	I	48.7	Very low	68.6	Low	40 Å²	40	72.1 Å²	72.1	21%	0.205	36%	0.362	C	S	.	.			trans	-91.3	111.6	-176.9	-49.4	-178.6	0	0	0	108.4	N690 F699	N690-I697 HydrophobicContact CB-CD1 4.07Å; N690-I697 VanDerWaalsContact CG-CD1 3.42Å; N690-I697 WeakPolarHBondContact OD1-CD1 2.97Å; I697-F699 PolarHBondContact O-N 2.89Å; I697-F699 VanDerWaalsContact O-N 3.07Å
698	P	43.6	Very low	68.7	Low	114 Å²	114	72.1 Å²	72.1	74%	0.74	36%	0.362	S	S	*	.			trans	-63.1	115.7	-177.7	23.3	-31.1	0	0	0	109.6	D696 K700	D696-P698 VanDerWaalsContact O-CD 3.25Å; D696-P698 WeakPolarHBondContact O-CD 2.93Å; P698-K700 PolarHBondContact O-N 3.38Å
699	F	49.8	Very low	68.9	Low	137 Å²	137	72 Å²	72	60%	0.601	36%	0.361	S	S	*	.			trans	-61.2	108.4	168.8	-70.9	-76	0	0	0	108.4	L622 I697	L622-F699 HydrophobicContact CD1-CD1 3.96Å; L622-F699 HydrophobicContact CD1-CE1 3.51Å; L622-F699 HydrophobicContact CD1-CZ 4.19Å; L622-F699 HydrophobicContact CD2-CE1 3.9Å; L622-F699 HydrophobicContact CD2-CZ 3.69Å; L622-F699 HydrophobicContact CG-CE1 4.04Å; L622-F699 HydrophobicContact CG-CZ 4.33Å; I697-F699 PolarHBondContact O-N 2.89Å; I697-F699 VanDerWaalsContact O-N 3.07Å
700	K	51.1	Low	69.1	Low	139 Å²	139	76.4 Å²	76.4	60%	0.604	39%	0.391	S	S	*	.			trans	-85.5	125	171.4	-142.6	173.9	-173.6	-179.7	0	108.1	P698 T703	P698-K700 PolarHBondContact O-N 3.38Å; K700-T703 HydrophobicContact CB-CG2 3.83Å; K700-T703 HydrophobicContact CD-CG2 4.36Å; K700-T703 HydrophobicContact CG-CG2 4.46Å; K700-T703 PolarHBondContact O-N 3.15Å; K700-T703 PolarHBondContact O-OG1 3.35Å
701	L	45.1	Very low	69.3	Low	158 Å²	158	76.7 Å²	76.7	83%	0.827	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	139.2	173.3	-160.4	71.8	0	0	0	108.7
702	N	53.9	Low	69.8	Low	141 Å²	141	73 Å²	73	75%	0.754	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	11.1	-176.1	-59.1	-25.8	0	0	0	117.8
703	T	66.9	Low	70.7	Confident	29 Å²	29	68.6 Å²	68.6	18%	0.178	36%	0.361	C	S	.	.			trans	-97.5	151.2	168.4	61.5	0	0	0	0	111.6	Y688 K700 N705	Y688-T703 HydrophobicContact CD2-CG2 3.91Å; Y688-T703 HydrophobicContact CE2-CG2 3.35Å; K700-T703 HydrophobicContact CB-CG2 3.83Å; K700-T703 HydrophobicContact CD-CG2 4.36Å; K700-T703 HydrophobicContact CG-CG2 4.46Å; K700-T703 PolarHBondContact O-N 3.15Å; K700-T703 PolarHBondContact O-OG1 3.35Å; T703-N705 PolarHBondContact OG1-OD1 3.05Å
704	V	80.6	Confident	71.9	Confident	11 Å²	11	69.5 Å²	69.5	7%	0.067	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.4	171.9	-175.8	0	0	0	0	107.1	L588 R682 D686 L687 Y688	L588-V704 HydrophobicContact CD2-CG1 3.67Å; L588-V704 HydrophobicContact CG-CG1 4.36Å; R682-V704 HydrophobicContact CB-CG2 3.84Å; D686-V704 PolarHBondContact O-N 2.88Å; L687-V704 CarbonylContact C-O 3.55Å; L687-V704 WeakPolarHBondContact CA-O 3.31Å; L687-V704 HydrophobicContact CD1-CB 4.07Å; L687-V704 HydrophobicContact CD1-CG1 3.63Å; Y688-V704 PolarHBondContact N-O 3.3Å
705	N	85.7	Confident	73.5	Confident	23 Å²	23	69.2 Å²	69.2	12%	0.123	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	145.5	176.2	-55.9	-53.8	0	0	0	110.1	D589 T703	D589-N705 WeakPolarHBondContact OD2-CB 3.33Å; T703-N705 PolarHBondContact OG1-OD1 3.05Å
706	A	91.1	Very high	75.5	Confident	3 Å²	3	63.7 Å²	63.7	3%	0.025	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.1	175.9	0	0	0	0	0	111.9	A586 V587 L687 Y688 V689 N690	A586-A706 HydrophobicContact CB-CB 3.65Å; V587-A706 CarbonylContact O-C 2.84Å; V587-A706 WeakPolarHBondContact O-CA 3.27Å; V587-A706 VanDerWaalsContact O-CB 3.26Å; V587-A706 WeakPolarHBondContact O-CB 3.48Å; L687-A706 HydrophobicContact CD1-CB 3.69Å; Y688-A706 PolarHBondContact O-N 3.49Å; V689-A706 WeakPolarHBondContact CA-O 3.48Å; N690-A706 PolarHBondContact N-O 3.04Å
707	L	91.6	Very high	77.5	Confident	16 Å²	16	60 Å²	60	8%	0.084	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.1	175.3	-175.8	68.6	0	0	0	109.3	A586 V587 L621 W709 E711 F712 L715	A586-L707 CarbonylContact C-O 3.58Å; A586-L707 WeakPolarHBondContact CA-O 3.29Å; V587-L707 PolarHBondContact N-O 3.29Å; V587-L707 PolarHBondContact O-N 3.12Å; L621-L707 HydrophobicContact CD2-CB 4.33Å; L707-W709 PolarHBondContact O-N 3.3Å; L707-E711 HydrophobicContact CD1-CB 4.17Å; L707-E711 HydrophobicContact CD1-CG 3.8Å; L707-E711 HydrophobicContact CG-CB 4.3Å; L707-E711 HydrophobicContact CG-CG 4.32Å; L707-F712 HydrophobicContact CD2-CB 3.88Å; L707-F712 HydrophobicContact CD2-CD2 4.49Å; L707-F712 HydrophobicContact CG-CB 4.38Å; L707-L715 HydrophobicContact CD2-CD1 3.96Å
708	G	92.7	Very high	79.3	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	136.7	178	0	0	0	0	0	112.2	N690 C710 E711 F712	N690-G708 PolarHBondContact O-N 3.22Å; G708-C710 VanDerWaalsContact C-N 3.32Å; G708-C710 PolarHBondContact O-N 3.45Å; G708-E711 WeakPolarHBondContact O-CB 3.36Å; G708-E711 PolarHBondContact O-N 3.38Å; G708-F712 PolarHBondContact O-N 3.22Å
709	W	93.9	Very high	81.3	Confident	55 Å²	55	64.3 Å²	64.3	21%	0.208	33%	0.329	C	S	.	.	H	α-helix	trans	-52.2	-46	-172.7	177.1	-97.8	0	0	0	113.7	L533 L565 L571 I573 E585 V587 L707 E711 F712 V713	L533-W709 HydrophobicContact CD1-CH2 3.78Å; L533-W709 HydrophobicContact CD1-CZ3 3.57Å; L565-W709 HydrophobicContact CD2-CH2 4.13Å; L571-W709 HydrophobicContact CD1-CZ3 4.49Å; I573-W709 HydrophobicContact CG2-CE3 4.12Å; I573-W709 HydrophobicContact CG2-CZ3 4.01Å; E585-W709 HydrophobicContact CB-CB 4.29Å; E585-W709 WeakPolarHBondContact O-CB 3.47Å; E585-W709 PolarHBondContact O-N 2.88Å; E585-W709 VanDerWaalsContact O-N 3.16Å; V587-W709 HydrophobicContact CG2-CE3 3.57Å; V587-W709 HydrophobicContact CG2-CZ3 3.98Å; L707-W709 PolarHBondContact O-N 3.3Å; W709-E711 VanDerWaalsContact C-N 3.27Å; W709-E711 PolarHBondContact O-N 3.25Å; W709-F712 WeakPolarHBondContact O-CB 3.11Å; W709-F712 PolarHBondContact O-N 3.33Å; W709-V713 HydrophobicContact CD2-CG2 4.43Å; W709-V713 HydrophobicContact CZ2-CG2 4.26Å; W709-V713 WeakPolarHBondContact O-CG2 3.42Å; W709-V713 PolarHBondContact O-N 3.3Å
710	C	92	Very high	82.9	Confident	92 Å²	92	60.7 Å²	60.7	62%	0.622	32%	0.319	S	S	*	.	H	α-helix	trans	-61.9	-35.4	179.2	-64.6	0	0	0	0	112.7	G708 K714	G708-C710 VanDerWaalsContact C-N 3.32Å; G708-C710 PolarHBondContact O-N 3.45Å; C710-K714 VanDerWaalsContact O-CG 3.32Å; C710-K714 WeakPolarHBondContact O-CG 3.34Å; C710-K714 PolarHBondContact O-N 3.43Å
711	E	91.4	Very high	84.5	Confident	33 Å²	33	61.6 Å²	61.6	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-73.3	-42.7	177.8	-173.3	65.1	-179.4	0	0	110.9	L707 G708 W709 V713 K714 L715	L707-E711 HydrophobicContact CD1-CB 4.17Å; L707-E711 HydrophobicContact CD1-CG 3.8Å; L707-E711 HydrophobicContact CG-CB 4.3Å; L707-E711 HydrophobicContact CG-CG 4.32Å; G708-E711 WeakPolarHBondContact O-CB 3.36Å; G708-E711 PolarHBondContact O-N 3.38Å; W709-E711 VanDerWaalsContact C-N 3.27Å; W709-E711 PolarHBondContact O-N 3.25Å; E711-V713 VanDerWaalsContact C-N 3.33Å; E711-V713 PolarHBondContact O-N 2.97Å; E711-K714 WeakPolarHBondContact O-CB 3.42Å; E711-K714 PolarHBondContact O-N 3.35Å; E711-L715 HydrophobicContact CG-CD1 4.35Å; E711-L715 WeakPolarHBondContact O-CG 3.26Å; E711-L715 PolarHBondContact O-N 2.87Å
712	F	93.5	Very high	86.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-54.3	-48.6	172.1	170.5	-103.8	0	0	0	111.9	P566 V567 L571 V587 I591 T619 L621 L707 G708 W709 K714 L715 A716	P566-F712 HydrophobicContact CG-CD1 4.11Å; P566-F712 HydrophobicContact CG-CE1 3.53Å; P566-F712 HydrophobicContact CG-CZ 4.19Å; V567-F712 HydrophobicContact CG1-CE2 4.14Å; V567-F712 HydrophobicContact CG1-CZ 3.87Å; L571-F712 HydrophobicContact CD2-CE1 3.71Å; L571-F712 HydrophobicContact CD2-CE2 4.37Å; L571-F712 HydrophobicContact CD2-CZ 3.49Å; L571-F712 VanDerWaalsContact CD2-CZ 3.49Å; V587-F712 HydrophobicContact CB-CB 4.37Å; V587-F712 HydrophobicContact CB-CD2 4.45Å; V587-F712 HydrophobicContact CB-CG 4.27Å; V587-F712 HydrophobicContact CG1-CD2 4.15Å; V587-F712 HydrophobicContact CG1-CE2 4.32Å; V587-F712 HydrophobicContact CG1-CG 4.37Å; V587-F712 HydrophobicContact CG2-CB 3.87Å; V587-F712 HydrophobicContact CG2-CD1 3.78Å; V587-F712 HydrophobicContact CG2-CD2 4.34Å; V587-F712 HydrophobicContact CG2-CE1 4.4Å; V587-F712 HydrophobicContact CG2-CG 3.73Å; I591-F712 HydrophobicContact CD1-CE2 4.24Å; I591-F712 HydrophobicContact CD1-CZ 4.2Å; T619-F712 HydrophobicContact CG2-CD2 4.3Å; T619-F712 HydrophobicContact CG2-CE2 3.81Å; L621-F712 HydrophobicContact CD1-CD2 4.31Å; L621-F712 HydrophobicContact CD1-CE2 3.97Å; L707-F712 HydrophobicContact CD2-CB 3.88Å; L707-F712 HydrophobicContact CD2-CD2 4.49Å; L707-F712 HydrophobicContact CG-CB 4.38Å; G708-F712 PolarHBondContact O-N 3.22Å; W709-F712 WeakPolarHBondContact O-CB 3.11Å; W709-F712 PolarHBondContact O-N 3.33Å; F712-K714 VanDerWaalsContact C-N 3.33Å; F712-K714 PolarHBondContact O-N 3.34Å; F712-L715 PolarHBondContact O-N 3.13Å; F712-A716 HydrophobicContact CE1-CB 4.49Å; F712-A716 HydrophobicContact CE2-CB 4.43Å; F712-A716 HydrophobicContact CZ-CB 4.31Å; F712-A716 WeakPolarHBondContact O-CB 3.43Å; F712-A716 PolarHBondContact O-N 2.72Å
713	V	92.9	Very high	88.2	Confident	44 Å²	44	52.6 Å²	52.6	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-43.9	179.1	173.1	0	0	0	0	111.4	P566 W709 E711 L715 A716 N717	P566-V713 HydrophobicContact CG-CG2 4.32Å; W709-V713 HydrophobicContact CD2-CG2 4.43Å; W709-V713 HydrophobicContact CZ2-CG2 4.26Å; W709-V713 WeakPolarHBondContact O-CG2 3.42Å; W709-V713 PolarHBondContact O-N 3.3Å; E711-V713 VanDerWaalsContact C-N 3.33Å; E711-V713 PolarHBondContact O-N 2.97Å; V713-L715 PolarHBondContact O-N 3.06Å; V713-A716 PolarHBondContact O-N 3.48Å; V713-N717 PolarHBondContact O-N 3.42Å; V713-N717 PolarHBondContact O-OD1 3.14Å
714	K	90.6	Very high	89.4	Confident	127 Å²	127	56.8 Å²	56.8	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-59.6	-46.1	176.7	-72.6	172	-173.2	175.6	0	112.3	C710 E711 F712 N717	C710-K714 VanDerWaalsContact O-CG 3.32Å; C710-K714 WeakPolarHBondContact O-CG 3.34Å; C710-K714 PolarHBondContact O-N 3.43Å; E711-K714 WeakPolarHBondContact O-CB 3.42Å; E711-K714 PolarHBondContact O-N 3.35Å; F712-K714 VanDerWaalsContact C-N 3.33Å; F712-K714 PolarHBondContact O-N 3.34Å; K714-N717 WeakPolarHBondContact O-CB 3.39Å
715	L	90.7	Very high	89.9	Confident	34 Å²	34	60.9 Å²	60.9	18%	0.178	33%	0.325	C	S	.	.	H	α-helix	trans	-70.6	-35.1	-179.6	-64.6	177	0	0	0	112.5	R618 T619 K693 L707 E711 F712 V713 N717	R618-L715 PolarHBondContact NE-O 3.3Å; R618-L715 PolarHBondContact NH2-O 3.34Å; R618-L715 VanDerWaalsContact NH2-O 3.12Å; T619-L715 WeakPolarHBondContact O-CD1 3.45Å; K693-L715 HydrophobicContact CD-CD1 4.35Å; L707-L715 HydrophobicContact CD2-CD1 3.96Å; E711-L715 HydrophobicContact CG-CD1 4.35Å; E711-L715 WeakPolarHBondContact O-CG 3.26Å; E711-L715 PolarHBondContact O-N 2.87Å; F712-L715 PolarHBondContact O-N 3.13Å; V713-L715 PolarHBondContact O-N 3.06Å; L715-N717 VanDerWaalsContact C-N 3.33Å
716	A	92.2	Very high	90.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-76.8	-16.2	-179.7	0	0	0	0	0	114	P566 V567 T619 F712 V713 K718	P566-A716 HydrophobicContact CB-CB 3.61Å; P566-A716 HydrophobicContact CG-CB 3.49Å; P566-A716 VanDerWaalsContact CG-CB 3.49Å; V567-A716 HydrophobicContact CB-CB 4.07Å; V567-A716 HydrophobicContact CG1-CB 3.43Å; V567-A716 VanDerWaalsContact CG1-CB 3.43Å; T619-A716 HydrophobicContact CG2-CB 4.31Å; F712-A716 HydrophobicContact CE1-CB 4.49Å; F712-A716 HydrophobicContact CE2-CB 4.43Å; F712-A716 HydrophobicContact CZ-CB 4.31Å; F712-A716 WeakPolarHBondContact O-CB 3.43Å; F712-A716 PolarHBondContact O-N 2.72Å; V713-A716 PolarHBondContact O-N 3.48Å; A716-K718 PolarHBondContact O-N 3.47Å
717	N	89.4	Confident	90.3	Very high	65 Å²	65	66.8 Å²	66.8	35%	0.348	36%	0.355	S	S	.	.			trans	-50.1	122.6	-177	-85.8	-24.9	0	0	0	113	R618 V713 K714 L715 S719	R618-N717 PolarHBondContact NH2-O 3.08Å; V713-N717 PolarHBondContact O-N 3.42Å; V713-N717 PolarHBondContact O-OD1 3.14Å; K714-N717 WeakPolarHBondContact O-CB 3.39Å; L715-N717 VanDerWaalsContact C-N 3.33Å; N717-S719 PolarHBondContact O-N 3.29Å
718	K	86.8	Confident	90.5	Very high	145 Å²	145	66 Å²	66	63%	0.63	35%	0.352	S	S	*	.	S	Bend	trans	-51.9	-35.7	-177.6	-172.8	176.7	-178	-179.1	0	113.4	A716	A716-K718 PolarHBondContact O-N 3.47Å
719	S	86	Confident	90.6	Very high	99 Å²	99	67 Å²	67	69%	0.692	36%	0.359	S	S	*	.	S	Bend	trans	-127.3	88.6	177.9	-58.5	0	0	0	0	108.6	N717	N717-S719 PolarHBondContact O-N 3.29Å
720	P	83.8	Confident	90.5	Very high	61 Å²	61	69.9 Å²	69.9	40%	0.396	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-64.7	153.8	175.9	31.2	-36.9	0	0	0	109.6	R618 P722	R618-P720 VanDerWaalsContact NH1-CD 3.31Å; P720-P722 WeakPolarHBondContact O-CD 3.47Å; P720-P722 VanDerWaalsContact O-N 3.15Å
721	D	83.8	Confident	90.6	Very high	157 Å²	157	70.5 Å²	70.5	84%	0.84	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-60.5	117.9	174.8	-63.5	-41	0	0	0	108.9
722	P	87.1	Confident	90.8	Very high	59 Å²	59	68.9 Å²	68.9	38%	0.383	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-72.3	136.6	-175.3	30.4	-34.6	0	0	0	109.6	P720 D726 I727	P720-P722 WeakPolarHBondContact O-CD 3.47Å; P720-P722 VanDerWaalsContact O-N 3.15Å; P722-D726 HydrophobicContact CB-CB 3.97Å; P722-I727 HydrophobicContact CB-CG1 3.92Å; P722-I727 HydrophobicContact CG-CD1 4.13Å; P722-I727 HydrophobicContact CG-CG1 3.91Å
723	S	89	Confident	90.8	Very high	52 Å²	52	74.4 Å²	74.4	36%	0.364	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-67.4	161.9	169	67.9	0	0	0	0	110.6	R725 D726 I727	S723-R725 PolarHBondContact O-N 3.44Å; S723-R725 WeakPolarHBondContact OG-CB 3.34Å; S723-R725 PolarHBondContact OG-N 3.08Å; S723-D726 WeakPolarHBondContact CB-OD2 3.27Å; S723-D726 PolarHBondContact N-OD2 2.97Å; S723-D726 WeakPolarHBondContact O-CB 3.45Å; S723-D726 PolarHBondContact O-N 2.61Å; S723-D726 PolarHBondContact OG-N 2.88Å; S723-D726 PolarHBondContact OG-OD2 3.28Å; S723-I727 WeakPolarHBondContact O-CG1 3.34Å; S723-I727 PolarHBondContact O-N 3.13Å
724	I	91.8	Very high	90.9	Very high	117 Å²	117	79.4 Å²	79.4	60%	0.6	41%	0.407	S	S	*	.	H	α-helix	trans	-54	-37.4	171.3	-63.5	173	0	0	0	110.2	I727 F728 T752	I724-I727 PolarHBondContact O-N 3.01Å; I724-F728 WeakPolarHBondContact O-CB 3.46Å; I724-F728 PolarHBondContact O-N 2.99Å; I724-T752 HydrophobicContact CG2-CG2 4.14Å
725	R	92.1	Very high	91	Very high	97 Å²	97	74.6 Å²	74.6	37%	0.366	39%	0.387	S	S	.	.	H	α-helix	trans	-59.6	-46.9	174.9	-172.1	175	-176.8	-173.1	1.6	110.9	S723 F728 A729 M747	S723-R725 PolarHBondContact O-N 3.44Å; S723-R725 WeakPolarHBondContact OG-CB 3.34Å; S723-R725 PolarHBondContact OG-N 3.08Å; R725-F728 PolarHBondContact O-N 3.06Å; R725-A729 PolarHBondContact O-N 3.4Å; R725-M747 HydrophobicContact CB-CE 4.12Å; R725-M747 HydrophobicContact CG-CE 3.04Å; R725-M747 WeakPolarHBondContact O-CE 3.28Å
726	D	91.4	Very high	91	Very high	79 Å²	79	78.7 Å²	78.7	42%	0.422	42%	0.416	S	S	.	.	H	α-helix	trans	-66.5	-40.4	178.7	-60.3	-47.6	0	0	0	113.2	P722 S723 F728 A729 K730	P722-D726 HydrophobicContact CB-CB 3.97Å; S723-D726 WeakPolarHBondContact CB-OD2 3.27Å; S723-D726 PolarHBondContact N-OD2 2.97Å; S723-D726 WeakPolarHBondContact O-CB 3.45Å; S723-D726 PolarHBondContact O-N 2.61Å; S723-D726 PolarHBondContact OG-N 2.88Å; S723-D726 PolarHBondContact OG-OD2 3.28Å; D726-F728 VanDerWaalsContact C-N 3.31Å; D726-A729 PolarHBondContact O-N 3.47Å; D726-K730 WeakPolarHBondContact O-CG 3.45Å; D726-K730 PolarHBondContact O-N 3Å
727	I	93.8	Very high	90.9	Very high	70 Å²	70	80.5 Å²	80.5	36%	0.359	43%	0.434	S	S	.	.	H	α-helix	trans	-62.2	-44.9	176.2	-64	172.9	0	0	0	109.4	P722 S723 I724 A729 K730 H731	P722-I727 HydrophobicContact CB-CG1 3.92Å; P722-I727 HydrophobicContact CG-CD1 4.13Å; P722-I727 HydrophobicContact CG-CG1 3.91Å; S723-I727 WeakPolarHBondContact O-CG1 3.34Å; S723-I727 PolarHBondContact O-N 3.13Å; I724-I727 PolarHBondContact O-N 3.01Å; I727-A729 PolarHBondContact O-N 3.33Å; I727-K730 WeakPolarHBondContact O-CB 3.38Å; I727-K730 PolarHBondContact O-N 3.15Å; I727-H731 PolarHBondContact O-N 3.01Å
728	F	95.4	Very high	91	Very high	1 Å²	1	77.5 Å²	77.5	0%	0.004	42%	0.419	C	S	.	.	H	α-helix	trans	-63.9	-42	178.6	-176.6	-140.6	0	0	0	112.6	I724 R725 D726 K730 H731 L732 M747 Y750 P753 L756 F797	I724-F728 WeakPolarHBondContact O-CB 3.46Å; I724-F728 PolarHBondContact O-N 2.99Å; R725-F728 PolarHBondContact O-N 3.06Å; D726-F728 VanDerWaalsContact C-N 3.31Å; F728-K730 VanDerWaalsContact C-N 3.29Å; F728-K730 PolarHBondContact O-N 3.17Å; F728-H731 WeakPolarHBondContact O-CB 3.47Å; F728-H731 PolarHBondContact O-N 3.06Å; F728-H731 VanDerWaalsContact O-N 3.16Å; F728-L732 HydrophobicContact CD1-CD1 4.45Å; F728-L732 HydrophobicContact CD2-CD1 4.47Å; F728-L732 HydrophobicContact CD2-CG 4.3Å; F728-L732 HydrophobicContact CE1-CD1 4.05Å; F728-L732 HydrophobicContact CE2-CD1 4.12Å; F728-L732 HydrophobicContact CE2-CD2 4.18Å; F728-L732 HydrophobicContact CE2-CG 3.97Å; F728-L732 HydrophobicContact CZ-CD1 3.89Å; F728-L732 HydrophobicContact CZ-CD2 4.37Å; F728-L732 HydrophobicContact CZ-CG 4.22Å; F728-L732 PolarHBondContact O-N 3Å; F728-M747 HydrophobicContact CD1-CG 4.31Å; F728-Y750 VanDerWaalsContact CE1-O 3.28Å; F728-Y750 WeakPolarHBondContact CE1-O 3.45Å; F728-P753 HydrophobicContact CB-CG 4.17Å; F728-P753 HydrophobicContact CD2-CB 4.2Å; F728-P753 HydrophobicContact CD2-CG 3.54Å; F728-P753 HydrophobicContact CE2-CB 4.16Å; F728-P753 HydrophobicContact CE2-CG 4Å; F728-P753 HydrophobicContact CG-CG 3.87Å; F728-L756 HydrophobicContact CE2-CD2 4.35Å; F728-L756 HydrophobicContact CZ-CB 4.22Å; F728-L756 HydrophobicContact CZ-CD2 3.72Å; F728-F797 HydrophobicContact CE2-CE1 4.07Å; F728-F797 AromaticContact CE2-CZ 3.66Å; F728-F797 HydrophobicContact CE2-CZ 3.66Å
729	A	94.7	Very high	91.1	Very high	19 Å²	19	72 Å²	72	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-55.2	-45.9	172.2	0	0	0	0	0	111.5	R725 D726 I727 H731 L732 M733 I743 M747	R725-A729 PolarHBondContact O-N 3.4Å; D726-A729 PolarHBondContact O-N 3.47Å; I727-A729 PolarHBondContact O-N 3.33Å; A729-H731 VanDerWaalsContact C-N 3.33Å; A729-H731 PolarHBondContact O-N 2.77Å; A729-L732 PolarHBondContact O-N 2.65Å; A729-M733 WeakPolarHBondContact O-CG 3.29Å; A729-M733 PolarHBondContact O-N 3.15Å; A729-I743 HydrophobicContact CB-CG2 3.95Å; A729-M747 HydrophobicContact CB-CE 3.85Å; A729-M747 HydrophobicContact CB-SD 3.5Å; A729-M747 VanDerWaalsContact CB-SD 3.5Å
730	K	92.7	Very high	91.3	Very high	116 Å²	116	69.2 Å²	69.2	50%	0.504	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-36	178.5	-73.2	172.1	-179	174.2	0	112.7	D726 I727 F728 M733 Q734	D726-K730 WeakPolarHBondContact O-CG 3.45Å; D726-K730 PolarHBondContact O-N 3Å; I727-K730 WeakPolarHBondContact O-CB 3.38Å; I727-K730 PolarHBondContact O-N 3.15Å; F728-K730 VanDerWaalsContact C-N 3.29Å; F728-K730 PolarHBondContact O-N 3.17Å; K730-M733 PolarHBondContact O-N 3.45Å; K730-Q734 PolarHBondContact O-NE2 3.07Å
731	H	93.8	Very high	91.6	Very high	105 Å²	105	68.9 Å²	68.9	49%	0.486	38%	0.383	S	S	.	.	H	α-helix	trans	-63.4	-48.4	172.7	-64.8	169.2	0	0	0	111	I727 F728 A729 M733 Q734	I727-H731 PolarHBondContact O-N 3.01Å; F728-H731 WeakPolarHBondContact O-CB 3.47Å; F728-H731 PolarHBondContact O-N 3.06Å; F728-H731 VanDerWaalsContact O-N 3.16Å; A729-H731 VanDerWaalsContact C-N 3.33Å; A729-H731 PolarHBondContact O-N 2.77Å; H731-M733 VanDerWaalsContact C-N 3.3Å; H731-M733 PolarHBondContact O-N 2.86Å; H731-Q734 WeakPolarHBondContact O-CB 3.35Å; H731-Q734 PolarHBondContact O-N 3.47Å; H731-Q734 VanDerWaalsContact O-N 3.09Å
732	L	94.9	Very high	92.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.1	-36.1	177.5	-68.5	173.2	0	0	0	112.3	F728 A729 Q734 I735 C738 I743 I746 M747 I793 F797	F728-L732 HydrophobicContact CD1-CD1 4.45Å; F728-L732 HydrophobicContact CD2-CD1 4.47Å; F728-L732 HydrophobicContact CD2-CG 4.3Å; F728-L732 HydrophobicContact CE1-CD1 4.05Å; F728-L732 HydrophobicContact CE2-CD1 4.12Å; F728-L732 HydrophobicContact CE2-CD2 4.18Å; F728-L732 HydrophobicContact CE2-CG 3.97Å; F728-L732 HydrophobicContact CZ-CD1 3.89Å; F728-L732 HydrophobicContact CZ-CD2 4.37Å; F728-L732 HydrophobicContact CZ-CG 4.22Å; F728-L732 PolarHBondContact O-N 3Å; A729-L732 PolarHBondContact O-N 2.65Å; L732-Q734 PolarHBondContact O-N 3.43Å; L732-I735 HydrophobicContact CD2-CD1 4.43Å; L732-I735 WeakPolarHBondContact O-CB 3.46Å; L732-I735 PolarHBondContact O-N 3.38Å; L732-C738 WeakPolarHBondContact O-CB 3.31Å; L732-C738 PolarHBondContact O-SG 3.35Å; L732-I743 HydrophobicContact CB-CD1 4.01Å; L732-I743 HydrophobicContact CB-CG1 3.98Å; L732-I743 HydrophobicContact CB-CG2 4.36Å; L732-I743 HydrophobicContact CD1-CG2 4.12Å; L732-I746 HydrophobicContact CD1-CB 4.45Å; L732-I746 HydrophobicContact CD1-CD1 4.47Å; L732-I746 HydrophobicContact CD1-CG2 4.06Å; L732-M747 HydrophobicContact CD1-CG 4.4Å; L732-I793 HydrophobicContact CD2-CG2 4.28Å; L732-F797 HydrophobicContact CD2-CE2 3.89Å; L732-F797 HydrophobicContact CD2-CZ 4.22Å
733	M	94.2	Very high	92.4	Very high	115 Å²	115	61.6 Å²	61.6	57%	0.567	34%	0.338	S	S	*	.	H	α-helix	trans	-61.6	-20.4	175.7	-74.8	-178.5	69.9	0	0	113.9	A729 K730 H731 I735 I743	A729-M733 WeakPolarHBondContact O-CG 3.29Å; A729-M733 PolarHBondContact O-N 3.15Å; K730-M733 PolarHBondContact O-N 3.45Å; H731-M733 VanDerWaalsContact C-N 3.3Å; H731-M733 PolarHBondContact O-N 2.86Å; M733-I735 VanDerWaalsContact C-N 3.27Å; M733-I743 HydrophobicContact CB-CD1 4.01Å; M733-I743 HydrophobicContact CG-CD1 3.15Å
734	Q	94.4	Very high	92.5	Very high	150 Å²	150	62.1 Å²	62.1	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.3	175.5	-58.8	-49.9	-54.3	0	0	112.7	K730 H731 L732 P736	K730-Q734 PolarHBondContact O-NE2 3.07Å; H731-Q734 WeakPolarHBondContact O-CB 3.35Å; H731-Q734 PolarHBondContact O-N 3.47Å; H731-Q734 VanDerWaalsContact O-N 3.09Å; L732-Q734 PolarHBondContact O-N 3.43Å; Q734-P736 WeakPolarHBondContact O-CD 3.47Å
735	I	93.2	Very high	92.6	Very high	25 Å²	25	56.8 Å²	56.8	13%	0.128	31%	0.313	C	S	.	.	S	Bend	trans	-79.9	120.8	177.6	-57.4	174.2	0	0	0	108.6	L732 M733 G737 C738 L789 I793 A796	L732-I735 HydrophobicContact CD2-CD1 4.43Å; L732-I735 WeakPolarHBondContact O-CB 3.46Å; L732-I735 PolarHBondContact O-N 3.38Å; M733-I735 VanDerWaalsContact C-N 3.27Å; I735-G737 PolarHBondContact O-N 2.93Å; I735-C738 WeakPolarHBondContact O-CB 3.31Å; I735-C738 PolarHBondContact O-N 3.33Å; I735-C738 VanDerWaalsContact O-N 3.14Å; I735-L789 HydrophobicContact CG2-CD1 4.46Å; I735-I793 HydrophobicContact CD1-CB 4.39Å; I735-I793 HydrophobicContact CD1-CG1 3.9Å; I735-I793 HydrophobicContact CG2-CG1 4.47Å; I735-A796 HydrophobicContact CD1-CB 3.95Å
736	P	91.4	Very high	92.7	Very high	120 Å²	120	52.2 Å²	52.2	78%	0.779	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.3	-179.7	-26.2	35.1	0	0	0	112.2	Q734	Q734-P736 WeakPolarHBondContact O-CD 3.47Å
737	G	89.5	Confident	92.7	Very high	38 Å²	38	49 Å²	49	39%	0.392	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	-10	-179.9	0	0	0	0	0	115.2	I735 S739 K742	I735-G737 PolarHBondContact O-N 2.93Å; G737-S739 PolarHBondContact O-N 3.25Å; G737-K742 WeakPolarHBondContact O-CD 3.32Å; G737-K742 PolarHBondContact O-NZ 3.48Å
738	C	90.5	Very high	92.7	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.02	29%	0.287	C	S	.	.			trans	-75.5	101.7	167.6	-71.9	0	0	0	0	110.3	L732 I735 I743	L732-C738 WeakPolarHBondContact O-CB 3.31Å; L732-C738 PolarHBondContact O-SG 3.35Å; I735-C738 WeakPolarHBondContact O-CB 3.31Å; I735-C738 PolarHBondContact O-N 3.33Å; I735-C738 VanDerWaalsContact O-N 3.14Å; C738-I743 HydrophobicContact CB-CD1 3.93Å; C738-I743 HydrophobicContact CB-CG1 3.93Å
739	S	89.8	Confident	92.5	Very high	28 Å²	28	56.8 Å²	56.8	20%	0.196	31%	0.311	C	S	.	.			trans	-94.7	161.9	171.1	53.1	0	0	0	0	111.2	G737 K742 I743	G737-S739 PolarHBondContact O-N 3.25Å; S739-K742 PolarHBondContact O-N 3.27Å; S739-K742 WeakPolarHBondContact OG-CG 3.49Å; S739-I743 WeakPolarHBondContact O-CG1 3.38Å; S739-I743 PolarHBondContact O-N 2.8Å
740	G	90.4	Very high	92.5	Very high	41 Å²	41	57 Å²	57	42%	0.423	31%	0.308	S	S	.	.	H	α-helix	trans	-43.2	-57.2	177.3	0	0	0	0	0	113.8	K742 I743 T744	G740-K742 VanDerWaalsContact C-N 3.31Å; G740-K742 PolarHBondContact O-N 2.9Å; G740-I743 PolarHBondContact O-N 3.33Å; G740-I743 VanDerWaalsContact O-N 3.1Å; G740-T744 PolarHBondContact O-N 3.4Å; G740-T744 PolarHBondContact O-OG1 2.69Å; G740-T744 VanDerWaalsContact O-OG1 3.06Å
741	P	90.7	Very high	92.5	Very high	55 Å²	55	53.7 Å²	53.7	36%	0.357	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-36.6	179.9	-27.9	35.4	0	0	0	114.7	S745 P778	P741-S745 PolarHBondContact O-N 2.87Å; P741-P778 HydrophobicContact CB-CB 4.03Å
742	K	92.7	Very high	92.5	Very high	57 Å²	57	50.5 Å²	50.5	25%	0.248	29%	0.286	C	S	.	.	H	α-helix	trans	-69.5	-40.6	177.4	-66.1	-178.4	-178.5	-174.7	0	111.4	G737 S739 G740 S745 I746 P778 L785 L789	G737-K742 WeakPolarHBondContact O-CD 3.32Å; G737-K742 PolarHBondContact O-NZ 3.48Å; S739-K742 PolarHBondContact O-N 3.27Å; S739-K742 WeakPolarHBondContact OG-CG 3.49Å; G740-K742 VanDerWaalsContact C-N 3.31Å; G740-K742 PolarHBondContact O-N 2.9Å; K742-S745 PolarHBondContact O-N 3.36Å; K742-S745 PolarHBondContact O-OG 2.67Å; K742-I746 WeakPolarHBondContact O-CG1 3.34Å; K742-I746 PolarHBondContact O-N 2.98Å; K742-I746 VanDerWaalsContact O-N 3.15Å; K742-P778 HydrophobicContact CG-CG 3.91Å; K742-L785 HydrophobicContact CB-CD1 4.24Å; K742-L785 HydrophobicContact CB-CG 4.45Å; K742-L785 HydrophobicContact CG-CD1 4.27Å; K742-L789 HydrophobicContact CD-CD2 3.69Å
743	I	93.3	Very high	92.4	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-43.3	177.5	-68.6	174.2	0	0	0	110.1	A729 L732 M733 C738 S739 G740 S745 I746 M747	A729-I743 HydrophobicContact CB-CG2 3.95Å; L732-I743 HydrophobicContact CB-CD1 4.01Å; L732-I743 HydrophobicContact CB-CG1 3.98Å; L732-I743 HydrophobicContact CB-CG2 4.36Å; L732-I743 HydrophobicContact CD1-CG2 4.12Å; M733-I743 HydrophobicContact CB-CD1 4.01Å; M733-I743 HydrophobicContact CG-CD1 3.15Å; C738-I743 HydrophobicContact CB-CD1 3.93Å; C738-I743 HydrophobicContact CB-CG1 3.93Å; S739-I743 WeakPolarHBondContact O-CG1 3.38Å; S739-I743 PolarHBondContact O-N 2.8Å; G740-I743 PolarHBondContact O-N 3.33Å; G740-I743 VanDerWaalsContact O-N 3.1Å; I743-S745 VanDerWaalsContact C-N 3.32Å; I743-S745 PolarHBondContact O-N 3.18Å; I743-I746 PolarHBondContact O-N 3.08Å; I743-I746 VanDerWaalsContact O-N 3.09Å; I743-M747 HydrophobicContact CG2-CG 4.14Å; I743-M747 HydrophobicContact CG2-SD 3.32Å; I743-M747 WeakPolarHBondContact CG2-SD 3.34Å; I743-M747 WeakPolarHBondContact O-CB 3.49Å; I743-M747 VanDerWaalsContact O-CG 3.26Å; I743-M747 WeakPolarHBondContact O-CG 3.43Å; I743-M747 PolarHBondContact O-N 2.86Å
744	T	92.6	Very high	92.4	Very high	64 Å²	64	50 Å²	50	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-55	-47.7	174.5	-52.1	0	0	0	0	111.3	G740 I746 M747 E748	G740-T744 PolarHBondContact O-N 3.4Å; G740-T744 PolarHBondContact O-OG1 2.69Å; G740-T744 VanDerWaalsContact O-OG1 3.06Å; T744-I746 VanDerWaalsContact C-N 3.3Å; T744-I746 PolarHBondContact O-N 3.24Å; T744-M747 PolarHBondContact O-N 3.18Å; T744-E748 WeakPolarHBondContact O-CG 3.31Å; T744-E748 PolarHBondContact O-N 3.41Å
745	S	92.9	Very high	92.4	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-30.2	177.7	64	0	0	0	0	114.6	P741 K742 I743 L785	P741-S745 PolarHBondContact O-N 2.87Å; K742-S745 PolarHBondContact O-N 3.36Å; K742-S745 PolarHBondContact O-OG 2.67Å; I743-S745 VanDerWaalsContact C-N 3.32Å; I743-S745 PolarHBondContact O-N 3.18Å; S745-L785 WeakPolarHBondContact OG-CD1 3.4Å
746	I	93.9	Very high	92.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70.6	-44.8	172.2	-65	163.9	0	0	0	109.5	L732 K742 I743 T744 K749 Y750 L776 L785 I793	L732-I746 HydrophobicContact CD1-CB 4.45Å; L732-I746 HydrophobicContact CD1-CD1 4.47Å; L732-I746 HydrophobicContact CD1-CG2 4.06Å; K742-I746 WeakPolarHBondContact O-CG1 3.34Å; K742-I746 PolarHBondContact O-N 2.98Å; K742-I746 VanDerWaalsContact O-N 3.15Å; I743-I746 PolarHBondContact O-N 3.08Å; I743-I746 VanDerWaalsContact O-N 3.09Å; T744-I746 VanDerWaalsContact C-N 3.3Å; T744-I746 PolarHBondContact O-N 3.24Å; I746-K749 PolarHBondContact O-N 3.44Å; I746-Y750 HydrophobicContact CG2-CD2 4.43Å; I746-Y750 PolarHBondContact O-N 3.32Å; I746-L776 HydrophobicContact CG1-CD1 4.1Å; I746-L785 HydrophobicContact CD1-CD2 3.75Å; I746-L785 HydrophobicContact CG1-CD2 3.68Å; I746-I793 HydrophobicContact CD1-CD1 3.69Å
747	M	92.9	Very high	92.5	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.064	25%	0.253	C	S	.	.	H	α-helix	trans	-74	-24.8	-173.5	-69.5	172.9	67.8	0	0	114.1	R725 F728 A729 L732 I743 T744 K749 Y750 P751	R725-M747 HydrophobicContact CB-CE 4.12Å; R725-M747 HydrophobicContact CG-CE 3.04Å; R725-M747 WeakPolarHBondContact O-CE 3.28Å; F728-M747 HydrophobicContact CD1-CG 4.31Å; A729-M747 HydrophobicContact CB-CE 3.85Å; A729-M747 HydrophobicContact CB-SD 3.5Å; A729-M747 VanDerWaalsContact CB-SD 3.5Å; L732-M747 HydrophobicContact CD1-CG 4.4Å; I743-M747 HydrophobicContact CG2-CG 4.14Å; I743-M747 HydrophobicContact CG2-SD 3.32Å; I743-M747 WeakPolarHBondContact CG2-SD 3.34Å; I743-M747 WeakPolarHBondContact O-CB 3.49Å; I743-M747 VanDerWaalsContact O-CG 3.26Å; I743-M747 WeakPolarHBondContact O-CG 3.43Å; I743-M747 PolarHBondContact O-N 2.86Å; T744-M747 PolarHBondContact O-N 3.18Å; M747-K749 VanDerWaalsContact C-N 3.28Å; M747-Y750 WeakPolarHBondContact CA-O 3.48Å; M747-Y750 CarbonylContact O-C 3.56Å; M747-P751 VanDerWaalsContact O-CA 3.27Å; M747-P751 WeakPolarHBondContact O-CA 3.19Å
748	E	92.5	Very high	92.8	Very high	118 Å²	118	45.2 Å²	45.2	55%	0.551	25%	0.254	S	S	*	.	H	α-helix	trans	-59.9	-39.8	169.1	-77.7	166.2	-170.5	0	0	111.2	T744	T744-E748 WeakPolarHBondContact O-CG 3.31Å; T744-E748 PolarHBondContact O-N 3.41Å
749	K	92.2	Very high	92.9	Very high	115 Å²	115	45.7 Å²	45.7	50%	0.5	26%	0.259	S	S	.	.	H	α-helix	trans	-89.6	-36.3	179	-166.7	171.7	-178.8	-174.6	0	113.2	I746 M747 L776	I746-K749 PolarHBondContact O-N 3.44Å; M747-K749 VanDerWaalsContact C-N 3.28Å; K749-L776 HydrophobicContact CD-CD2 3.98Å
750	Y	94.3	Very high	93.2	Very high	23 Å²	23	44.4 Å²	44.4	9%	0.09	25%	0.249	C	C	.	.			trans	-130.7	83.8	-175.3	-51.9	-75	0	0	0	109.2	F728 I746 M747 T752 I755 L756 A759 M772 L773	F728-Y750 VanDerWaalsContact CE1-O 3.28Å; F728-Y750 WeakPolarHBondContact CE1-O 3.45Å; I746-Y750 HydrophobicContact CG2-CD2 4.43Å; I746-Y750 PolarHBondContact O-N 3.32Å; M747-Y750 WeakPolarHBondContact CA-O 3.48Å; M747-Y750 CarbonylContact O-C 3.56Å; Y750-T752 VanDerWaalsContact C-N 3.27Å; Y750-T752 PolarHBondContact O-N 3.31Å; Y750-I755 HydrophobicContact CD1-CG2 4.09Å; Y750-L756 HydrophobicContact CD1-CD1 4.31Å; Y750-L756 HydrophobicContact CD2-CD1 3.97Å; Y750-L756 HydrophobicContact CE2-CD1 4.41Å; Y750-L756 HydrophobicContact CG-CB 4.44Å; Y750-L756 HydrophobicContact CG-CD1 3.91Å; Y750-A759 HydrophobicContact CD1-CB 4.08Å; Y750-A759 HydrophobicContact CE1-CB 3.44Å; Y750-A759 VanDerWaalsContact CE1-CB 3.44Å; Y750-M772 HydrophobicContact CE2-CE 4.48Å; Y750-L773 HydrophobicContact CD2-CD2 3.93Å; Y750-L773 HydrophobicContact CE2-CD2 3.5Å
751	P	92.2	Very high	93.3	Very high	47 Å²	47	47.8 Å²	47.8	31%	0.305	26%	0.258	S	S	.	.			trans	-74.3	-15.5	-170.8	25.7	-32.8	0	0	0	114.2	M747 I755	M747-P751 VanDerWaalsContact O-CA 3.27Å; M747-P751 WeakPolarHBondContact O-CA 3.19Å; P751-I755 HydrophobicContact CG-CD1 3.78Å
752	T	93.9	Very high	93.4	Very high	38 Å²	38	53 Å²	53	23%	0.233	28%	0.275	C	S	.	.	S	Bend	trans	-134.3	156.8	-179.8	71.7	0	0	0	0	111.4	I724 Y750 C754 I755 L756	I724-T752 HydrophobicContact CG2-CG2 4.14Å; Y750-T752 VanDerWaalsContact C-N 3.27Å; Y750-T752 PolarHBondContact O-N 3.31Å; T752-C754 PolarHBondContact O-N 2.87Å; T752-I755 HydrophobicContact CG2-CD1 4.48Å; T752-I755 PolarHBondContact O-N 2.82Å; T752-I755 WeakPolarHBondContact OG1-CD1 3.27Å; T752-I755 WeakPolarHBondContact OG1-CG1 3.49Å; T752-I755 PolarHBondContact OG1-N 3.37Å; T752-L756 PolarHBondContact O-N 3.04Å
753	P	92.8	Very high	93.3	Very high	35 Å²	35	53.3 Å²	53.3	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-57.8	-37.7	176.2	-20	28.5	0	0	0	112.7	F728 L756 M757	F728-P753 HydrophobicContact CB-CG 4.17Å; F728-P753 HydrophobicContact CD2-CB 4.2Å; F728-P753 HydrophobicContact CD2-CG 3.54Å; F728-P753 HydrophobicContact CE2-CB 4.16Å; F728-P753 HydrophobicContact CE2-CG 4Å; F728-P753 HydrophobicContact CG-CG 3.87Å; P753-L756 PolarHBondContact O-N 3.36Å; P753-M757 HydrophobicContact CB-CE 4.32Å; P753-M757 WeakPolarHBondContact O-CG 3.49Å; P753-M757 PolarHBondContact O-N 3.36Å
754	C	93.4	Very high	93	Very high	71 Å²	71	59 Å²	59	48%	0.48	31%	0.314	S	S	.	.	H	α-helix	trans	-58.5	-50.6	-179.8	-173.1	0	0	0	0	111.3	T752 L756 M757 D758	T752-C754 PolarHBondContact O-N 2.87Å; C754-L756 VanDerWaalsContact C-N 3.26Å; C754-L756 PolarHBondContact O-N 3.23Å; C754-M757 PolarHBondContact O-N 3.01Å; C754-M757 VanDerWaalsContact O-N 3.15Å; C754-D758 PolarHBondContact O-N 3.13Å
755	I	94.4	Very high	92.8	Very high	74 Å²	74	59.6 Å²	59.6	38%	0.379	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-34.1	-179.9	-59.7	166.3	0	0	0	110.9	Y750 P751 T752 A759	Y750-I755 HydrophobicContact CD1-CG2 4.09Å; P751-I755 HydrophobicContact CG-CD1 3.78Å; T752-I755 HydrophobicContact CG2-CD1 4.48Å; T752-I755 PolarHBondContact O-N 2.82Å; T752-I755 WeakPolarHBondContact OG1-CD1 3.27Å; T752-I755 WeakPolarHBondContact OG1-CG1 3.49Å; T752-I755 PolarHBondContact OG1-N 3.37Å; I755-A759 WeakPolarHBondContact O-CB 3.35Å; I755-A759 PolarHBondContact O-N 2.8Å; I755-A759 VanDerWaalsContact O-N 3.14Å
756	L	94.6	Very high	92.5	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-68.4	-43.1	174.8	-178.7	62.2	0	0	0	112	F728 Y750 T752 P753 C754 A759 Y760 M772 L773 I793 F797	F728-L756 HydrophobicContact CE2-CD2 4.35Å; F728-L756 HydrophobicContact CZ-CB 4.22Å; F728-L756 HydrophobicContact CZ-CD2 3.72Å; Y750-L756 HydrophobicContact CD1-CD1 4.31Å; Y750-L756 HydrophobicContact CD2-CD1 3.97Å; Y750-L756 HydrophobicContact CE2-CD1 4.41Å; Y750-L756 HydrophobicContact CG-CB 4.44Å; Y750-L756 HydrophobicContact CG-CD1 3.91Å; T752-L756 PolarHBondContact O-N 3.04Å; P753-L756 PolarHBondContact O-N 3.36Å; C754-L756 VanDerWaalsContact C-N 3.26Å; C754-L756 PolarHBondContact O-N 3.23Å; L756-A759 WeakPolarHBondContact O-CB 3.24Å; L756-A759 PolarHBondContact O-N 2.9Å; L756-Y760 HydrophobicContact CD1-CD2 4.28Å; L756-Y760 HydrophobicContact CD1-CE2 3.75Å; L756-Y760 HydrophobicContact CD2-CE2 3.95Å; L756-Y760 HydrophobicContact CG-CD2 4.01Å; L756-Y760 HydrophobicContact CG-CE2 3.6Å; L756-Y760 WeakPolarHBondContact O-CD2 3.39Å; L756-Y760 PolarHBondContact O-N 3.15Å; L756-M772 HydrophobicContact CD1-CE 3.53Å; L756-L773 HydrophobicContact CD1-CD1 4.36Å; L756-L773 HydrophobicContact CD1-CD2 4.17Å; L756-I793 HydrophobicContact CD2-CG2 4.38Å; L756-F797 HydrophobicContact CD2-CD2 4.05Å; L756-F797 HydrophobicContact CD2-CE2 4.03Å; L756-F797 HydrophobicContact CD2-CG 4.39Å; L756-F797 HydrophobicContact CD2-CZ 4.35Å
757	M	93.5	Very high	92.2	Very high	78 Å²	78	70 Å²	70	38%	0.384	38%	0.377	S	S	.	.	H	α-helix	trans	-66	-45	178	-70.4	-177.8	-60.6	0	0	111.3	P753 C754 A759 Y760 D761 F797	P753-M757 HydrophobicContact CB-CE 4.32Å; P753-M757 WeakPolarHBondContact O-CG 3.49Å; P753-M757 PolarHBondContact O-N 3.36Å; C754-M757 PolarHBondContact O-N 3.01Å; C754-M757 VanDerWaalsContact O-N 3.15Å; M757-A759 PolarHBondContact O-N 3.28Å; M757-Y760 CarbonylContact O-C 3.58Å; M757-Y760 WeakPolarHBondContact O-CA 3.38Å; M757-Y760 WeakPolarHBondContact O-CB 3.33Å; M757-Y760 PolarHBondContact O-N 3.14Å; M757-D761 PolarHBondContact O-N 3.3Å; M757-F797 HydrophobicContact CG-CD1 4.29Å
758	D	94.3	Very high	91.9	Very high	79 Å²	79	70.2 Å²	70.2	42%	0.422	38%	0.382	S	S	.	.	H	α-helix	trans	-56.6	-37	173.4	-71.3	-10.7	0	0	0	111.8	C754 K762	C754-D758 PolarHBondContact O-N 3.13Å; D758-K762 WeakPolarHBondContact O-CD 3.31Å; D758-K762 VanDerWaalsContact O-CG 3.28Å; D758-K762 WeakPolarHBondContact O-CG 3.48Å; D758-K762 PolarHBondContact O-N 3.38Å
759	A	94.4	Very high	91.8	Very high	14 Å²	14	66.2 Å²	66.2	12%	0.116	36%	0.363	C	S	.	.	H	α-helix	trans	-70.4	-36.8	176.3	0	0	0	0	0	112.3	Y750 I755 L756 M757 M772	Y750-A759 HydrophobicContact CD1-CB 4.08Å; Y750-A759 HydrophobicContact CE1-CB 3.44Å; Y750-A759 VanDerWaalsContact CE1-CB 3.44Å; I755-A759 WeakPolarHBondContact O-CB 3.35Å; I755-A759 PolarHBondContact O-N 2.8Å; I755-A759 VanDerWaalsContact O-N 3.14Å; L756-A759 WeakPolarHBondContact O-CB 3.24Å; L756-A759 PolarHBondContact O-N 2.9Å; M757-A759 PolarHBondContact O-N 3.28Å; A759-M772 HydrophobicContact CB-CE 3.97Å; A759-M772 HydrophobicContact CB-SD 3.88Å
760	Y	94.9	Very high	91.8	Very high	1 Å²	1	61 Å²	61	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-41.7	172.4	-77.2	-51.5	0	0	0	112	L756 M757 K762 Q763 K769 M772 L773 I793 A794 F797	L756-Y760 HydrophobicContact CD1-CD2 4.28Å; L756-Y760 HydrophobicContact CD1-CE2 3.75Å; L756-Y760 HydrophobicContact CD2-CE2 3.95Å; L756-Y760 HydrophobicContact CG-CD2 4.01Å; L756-Y760 HydrophobicContact CG-CE2 3.6Å; L756-Y760 WeakPolarHBondContact O-CD2 3.39Å; L756-Y760 PolarHBondContact O-N 3.15Å; M757-Y760 CarbonylContact O-C 3.58Å; M757-Y760 WeakPolarHBondContact O-CA 3.38Å; M757-Y760 WeakPolarHBondContact O-CB 3.33Å; M757-Y760 PolarHBondContact O-N 3.14Å; Y760-K762 PolarHBondContact O-N 2.86Å; Y760-Q763 WeakPolarHBondContact O-CB 3.31Å; Y760-Q763 PolarHBondContact O-N 3.22Å; Y760-K769 HydrophobicContact CD1-CB 4.08Å; Y760-K769 HydrophobicContact CD1-CG 4.26Å; Y760-K769 WeakPolarHBondContact CE1-O 3.47Å; Y760-K769 WeakPolarHBondContact O-CE 3.32Å; Y760-M772 HydrophobicContact CD1-CE 3.53Å; Y760-M772 HydrophobicContact CD1-SD 3.87Å; Y760-M772 HydrophobicContact CD2-CE 4.29Å; Y760-M772 HydrophobicContact CE1-CB 4.25Å; Y760-M772 HydrophobicContact CE1-CE 3.34Å; Y760-M772 HydrophobicContact CE1-SD 4.08Å; Y760-M772 HydrophobicContact CE2-CE 4.16Å; Y760-M772 HydrophobicContact CG-CE 4Å; Y760-L773 VanDerWaalsContact OH-CD1 3.31Å; Y760-L773 WeakPolarHBondContact OH-CD1 3.47Å; Y760-I793 WeakPolarHBondContact OH-CG2 3.13Å; Y760-A794 HydrophobicContact CE1-CB 3.78Å; Y760-A794 WeakPolarHBondContact OH-CA 3.27Å; Y760-A794 PolarHBondContact OH-N 3.25Å; Y760-F797 HydrophobicContact CD2-CB 4.17Å; Y760-F797 HydrophobicContact CE2-CB 3.99Å; Y760-F797 HydrophobicContact CE2-CG 4.45Å
761	D	92.2	Very high	91.7	Very high	112 Å²	112	63 Å²	63	60%	0.599	35%	0.354	S	S	*	.	H	α-helix	trans	-65.6	-27.7	-179.7	-71.7	-20.5	0	0	0	112.9	M757 Q763 K769	M757-D761 PolarHBondContact O-N 3.3Å; D761-Q763 PolarHBondContact O-N 3.38Å; D761-K769 IonicContact OD1-NZ 3.77Å
762	K	92.7	Very high	91.7	Very high	163 Å²	163	62.1 Å²	62.1	71%	0.709	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.5	171.9	-71.5	168.7	-174	174.3	0	114	D758 Y760 P764	D758-K762 WeakPolarHBondContact O-CD 3.31Å; D758-K762 VanDerWaalsContact O-CG 3.28Å; D758-K762 WeakPolarHBondContact O-CG 3.48Å; D758-K762 PolarHBondContact O-N 3.38Å; Y760-K762 PolarHBondContact O-N 2.86Å; K762-P764 WeakPolarHBondContact O-CD 3.33Å
763	Q	91.3	Very high	91.7	Very high	65 Å²	65	60.3 Å²	60.3	30%	0.304	34%	0.335	S	S	.	.			trans	-87.7	117.1	178	-63.7	-59.1	-48.7	0	0	110.8	Y760 D761 T765 K769 M772	Y760-Q763 WeakPolarHBondContact O-CB 3.31Å; Y760-Q763 PolarHBondContact O-N 3.22Å; D761-Q763 PolarHBondContact O-N 3.38Å; Q763-T765 VanDerWaalsContact C-N 3.31Å; Q763-T765 PolarHBondContact O-N 2.97Å; Q763-K769 HydrophobicContact CB-CG 3.65Å; Q763-K769 HydrophobicContact CG-CG 4.4Å; Q763-M772 HydrophobicContact CG-SD 4.11Å
764	P	86.3	Confident	91.6	Very high	124 Å²	124	59.1 Å²	59.1	81%	0.805	33%	0.329	S	S	*	.	S	Bend	trans	-74.5	-19.2	-173.8	28.7	-35.1	0	0	0	113.7	K762	K762-P764 WeakPolarHBondContact O-CD 3.33Å
765	T	89.1	Confident	91.4	Very high	77 Å²	77	63.7 Å²	63.7	47%	0.472	34%	0.343	S	S	.	.	S	Bend	trans	-120.1	146.9	-176.6	65.5	0	0	0	0	111.6	Q763 S767 G768 K769	Q763-T765 VanDerWaalsContact C-N 3.31Å; Q763-T765 PolarHBondContact O-N 2.97Å; T765-S767 PolarHBondContact O-N 3.29Å; T765-G768 PolarHBondContact O-N 2.97Å; T765-G768 VanDerWaalsContact O-N 3.09Å; T765-G768 PolarHBondContact OG1-N 3.35Å; T765-K769 PolarHBondContact O-N 3Å
766	M	85.8	Confident	91.2	Very high	145 Å²	145	61.5 Å²	61.5	71%	0.714	33%	0.332	S	S	*	.	H	α-helix	trans	-60.6	-31.3	173.4	-67.8	-57.2	-68.1	0	0	112.3	K769 G770	M766-K769 HydrophobicContact SD-CD 4.22Å; M766-G770 PolarHBondContact O-N 3.31Å
767	S	87.2	Confident	90.9	Very high	79 Å²	79	67.9 Å²	67.9	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-66.7	-42.5	173.3	-172	0	0	0	0	112	T765 G770 N771	T765-S767 PolarHBondContact O-N 3.29Å; S767-G770 PolarHBondContact O-N 3.08Å; S767-N771 PolarHBondContact O-N 3.02Å; S767-N771 PolarHBondContact O-ND2 2.97Å
768	G	88.7	Confident	90.6	Very high	17 Å²	17	64.5 Å²	64.5	18%	0.175	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-45.9	174.4	0	0	0	0	0	112.2	T765 G770 N771 M772	T765-G768 PolarHBondContact O-N 2.97Å; T765-G768 VanDerWaalsContact O-N 3.09Å; T765-G768 PolarHBondContact OG1-N 3.35Å; G768-G770 VanDerWaalsContact C-N 3.34Å; G768-G770 PolarHBondContact O-N 3.37Å; G768-N771 PolarHBondContact O-N 3.23Å; G768-M772 PolarHBondContact O-N 3.27Å
769	K	90.2	Very high	89.8	Confident	33 Å²	33	65.1 Å²	65.1	14%	0.143	36%	0.359	C	S	.	.	H	α-helix	trans	-56.8	-47.1	171.8	-67.3	-172.3	179.4	-149.6	0	111.3	Y760 D761 Q763 T765 M766 N771 A794 N798	Y760-K769 HydrophobicContact CD1-CB 4.08Å; Y760-K769 HydrophobicContact CD1-CG 4.26Å; Y760-K769 WeakPolarHBondContact CE1-O 3.47Å; Y760-K769 WeakPolarHBondContact O-CE 3.32Å; D761-K769 IonicContact OD1-NZ 3.77Å; Q763-K769 HydrophobicContact CB-CG 3.65Å; Q763-K769 HydrophobicContact CG-CG 4.4Å; T765-K769 PolarHBondContact O-N 3Å; M766-K769 HydrophobicContact SD-CD 4.22Å; K769-N771 VanDerWaalsContact C-N 3.31Å; K769-N771 PolarHBondContact O-N 3.33Å; K769-A794 WeakPolarHBondContact O-CB 3.14Å; K769-N798 PolarHBondContact NZ-OD1 3.44Å
770	G	90.9	Very high	88.8	Confident	7 Å²	7	71.1 Å²	71.1	7%	0.072	39%	0.389	C	S	.	.	H	α-helix	trans	-62.5	-31.1	-179.2	0	0	0	0	0	114.7	M766 S767 G768 S790 Q791	M766-G770 PolarHBondContact O-N 3.31Å; S767-G770 PolarHBondContact O-N 3.08Å; G768-G770 VanDerWaalsContact C-N 3.34Å; G768-G770 PolarHBondContact O-N 3.37Å; G770-S790 CarbonylContact O-C 3.22Å; G770-S790 WeakPolarHBondContact O-CB 3.44Å; G770-S790 PolarHBondContact O-OG 3.4Å; G770-Q791 WeakPolarHBondContact O-CG 3.21Å; G770-Q791 PolarHBondContact O-N 3.01Å; G770-Q791 VanDerWaalsContact O-N 3.1Å
771	N	92	Very high	88.1	Confident	64 Å²	64	73 Å²	73	34%	0.342	40%	0.403	S	S	.	.	H	α-helix	trans	-103.8	-4.9	-175.6	-66.6	-33.8	0	0	0	114.6	S767 G768 K769 L773 A774	S767-N771 PolarHBondContact O-N 3.02Å; S767-N771 PolarHBondContact O-ND2 2.97Å; G768-N771 PolarHBondContact O-N 3.23Å; K769-N771 VanDerWaalsContact C-N 3.31Å; K769-N771 PolarHBondContact O-N 3.33Å; N771-L773 PolarHBondContact O-N 3.25Å; N771-A774 VanDerWaalsContact O-CB 3.27Å; N771-A774 WeakPolarHBondContact O-CB 3.39Å; N771-A774 PolarHBondContact O-N 3.48Å
772	M	92.8	Very high	87.5	Confident	29 Å²	29	75.3 Å²	75.3	14%	0.143	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-33.5	-174	-171.2	-179.6	79.9	0	0	114.7	Y750 L756 A759 Y760 Q763 G768	Y750-M772 HydrophobicContact CE2-CE 4.48Å; L756-M772 HydrophobicContact CD1-CE 3.53Å; A759-M772 HydrophobicContact CB-CE 3.97Å; A759-M772 HydrophobicContact CB-SD 3.88Å; Y760-M772 HydrophobicContact CD1-CE 3.53Å; Y760-M772 HydrophobicContact CD1-SD 3.87Å; Y760-M772 HydrophobicContact CD2-CE 4.29Å; Y760-M772 HydrophobicContact CE1-CB 4.25Å; Y760-M772 HydrophobicContact CE1-CE 3.34Å; Y760-M772 HydrophobicContact CE1-SD 4.08Å; Y760-M772 HydrophobicContact CE2-CE 4.16Å; Y760-M772 HydrophobicContact CG-CE 4Å; Q763-M772 HydrophobicContact CG-SD 4.11Å; G768-M772 PolarHBondContact O-N 3.27Å
773	L	93.2	Very high	87.1	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-1.2	-178.2	-54.6	179.4	0	0	0	112.9	Y750 L756 Y760 N771 E775 L776 L785 S790 I793	Y750-L773 HydrophobicContact CD2-CD2 3.93Å; Y750-L773 HydrophobicContact CE2-CD2 3.5Å; L756-L773 HydrophobicContact CD1-CD1 4.36Å; L756-L773 HydrophobicContact CD1-CD2 4.17Å; Y760-L773 VanDerWaalsContact OH-CD1 3.31Å; Y760-L773 WeakPolarHBondContact OH-CD1 3.47Å; N771-L773 PolarHBondContact O-N 3.25Å; L773-E775 VanDerWaalsContact C-N 3.31Å; L773-E775 PolarHBondContact O-N 3.34Å; L773-L776 HydrophobicContact CB-CD1 4.15Å; L773-L776 HydrophobicContact CD2-CD1 3.74Å; L773-L776 PolarHBondContact O-N 3.25Å; L773-L785 HydrophobicContact CB-CD2 4.41Å; L773-L785 WeakPolarHBondContact O-CB 3.45Å; L773-S790 PolarHBondContact N-OG 3.33Å; L773-I793 HydrophobicContact CD1-CB 4.13Å; L773-I793 HydrophobicContact CD1-CD1 3.96Å; L773-I793 HydrophobicContact CD1-CG2 3.74Å
774	A	91.7	Very high	87	Confident	10 Å²	10	77 Å²	77	8%	0.083	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-33.4	-168.9	0	0	0	0	0	113.1	N771 C784 L785 G786 T787 S790	N771-A774 VanDerWaalsContact O-CB 3.27Å; N771-A774 WeakPolarHBondContact O-CB 3.39Å; N771-A774 PolarHBondContact O-N 3.48Å; A774-C784 WeakPolarHBondContact O-CB 3.47Å; A774-L785 PolarHBondContact O-N 2.78Å; A774-G786 PolarHBondContact O-N 2.84Å; A774-G786 VanDerWaalsContact O-N 3.09Å; A774-T787 HydrophobicContact CB-CG2 4.03Å; A774-S790 PolarHBondContact N-OG 3.33Å
775	E	89.8	Confident	87.1	Confident	167 Å²	167	71.6 Å²	71.6	78%	0.78	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-7	-176.6	-64.7	-178.1	174.4	0	0	114	L773 K777	L773-E775 VanDerWaalsContact C-N 3.31Å; L773-E775 PolarHBondContact O-N 3.34Å; E775-K777 PolarHBondContact O-N 2.96Å
776	L	89.8	Confident	87.2	Confident	28 Å²	28	69.4 Å²	69.4	15%	0.147	38%	0.379	C	S	.	.			trans	-62.6	135.4	177.6	-68.8	177.8	0	0	0	110.3	I746 K749 L773 C784 L785	I746-L776 HydrophobicContact CG1-CD1 4.1Å; K749-L776 HydrophobicContact CD-CD2 3.98Å; L773-L776 HydrophobicContact CB-CD1 4.15Å; L773-L776 HydrophobicContact CD2-CD1 3.74Å; L773-L776 PolarHBondContact O-N 3.25Å; L776-C784 CarbonylContact O-C 3.48Å; L776-C784 VanDerWaalsContact O-CA 3.24Å; L776-C784 WeakPolarHBondContact O-CA 3.34Å; L776-L785 HydrophobicContact CB-CD1 3.94Å; L776-L785 HydrophobicContact CB-CD2 4.23Å; L776-L785 HydrophobicContact CD1-CD2 4.46Å; L776-L785 WeakPolarHBondContact O-CD1 3.19Å; L776-L785 PolarHBondContact O-N 3.42Å
777	K	88.1	Confident	87.4	Confident	133 Å²	133	66.2 Å²	66.2	58%	0.578	37%	0.368	S	S	*	.			trans	-113.5	123.1	-179.3	-68.1	179.9	-177.4	175.5	0	109.7	E775 C784	E775-K777 PolarHBondContact O-N 2.96Å; K777-C784 VanDerWaalsContact CE-SG 3.58Å
778	P	86	Confident	87.7	Confident	8 Å²	8	65.6 Å²	65.6	5%	0.052	37%	0.368	C	S	.	.			trans	-63.3	142.5	169.1	-18.9	33.2	0	0	0	111.2	P741 K742 D780 S781 R783 L785	P741-P778 HydrophobicContact CB-CB 4.03Å; K742-P778 HydrophobicContact CG-CG 3.91Å; P778-D780 PolarHBondContact O-N 3.37Å; P778-D780 VanDerWaalsContact O-N 3.15Å; P778-S781 CarbonylContact O-C 3.54Å; P778-S781 PolarHBondContact O-N 3.43Å; P778-R783 WeakPolarHBondContact CD-O 3.31Å; P778-L785 HydrophobicContact CG-CD1 4.06Å
779	A	77.8	Confident	87.8	Confident	91 Å²	91	65.4 Å²	65.4	75%	0.752	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.6	-179.6	0	0	0	0	0	113.5	S781	A779-S781 VanDerWaalsContact C-N 3.28Å; A779-S781 PolarHBondContact O-N 3.16Å
780	D	75	Confident	88	Confident	140 Å²	140	63.8 Å²	63.8	75%	0.749	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	6	-177.5	-50.5	-35.3	0	0	0	113.8	P778	P778-D780 PolarHBondContact O-N 3.37Å; P778-D780 VanDerWaalsContact O-N 3.15Å
781	S	79.6	Confident	88.1	Confident	42 Å²	42	68.4 Å²	68.4	29%	0.294	38%	0.375	S	S	.	.			trans	-152.7	125	-171.1	162.8	0	0	0	0	113.5	P778 A779 R783	P778-S781 CarbonylContact O-C 3.54Å; P778-S781 PolarHBondContact O-N 3.43Å; A779-S781 VanDerWaalsContact C-N 3.28Å; A779-S781 PolarHBondContact O-N 3.16Å; S781-R783 PolarHBondContact O-N 3.09Å; S781-R783 WeakPolarHBondContact OG-CB 3.5Å; S781-R783 PolarHBondContact OG-N 3.47Å; S781-R783 PolarHBondContact OG-O 2.87Å
782	N	78.7	Confident	88.2	Confident	159 Å²	159	68.1 Å²	68.1	85%	0.85	38%	0.378	S	S	*	.	S	Bend	trans	-65.5	-9.1	169.9	-70.4	-16.1	0	0	0	114.1
783	R	84.2	Confident	88.2	Confident	206 Å²	206	66.7 Å²	66.7	78%	0.777	37%	0.372	S	S	*	.	S	Bend	trans	-82.6	128.4	177.7	-56.4	-177.9	179.5	-176.1	-0.3	111	P778 S781	P778-R783 WeakPolarHBondContact CD-O 3.31Å; S781-R783 PolarHBondContact O-N 3.09Å; S781-R783 WeakPolarHBondContact OG-CB 3.5Å; S781-R783 PolarHBondContact OG-N 3.47Å; S781-R783 PolarHBondContact OG-O 2.87Å
784	C	89.1	Confident	88.2	Confident	58 Å²	58	67 Å²	67	39%	0.392	37%	0.374	S	S	.	.			trans	-67.4	163.2	172.4	-47.6	0	0	0	0	111.7	A774 L776 K777 G786	A774-C784 WeakPolarHBondContact O-CB 3.47Å; L776-C784 CarbonylContact O-C 3.48Å; L776-C784 VanDerWaalsContact O-CA 3.24Å; L776-C784 WeakPolarHBondContact O-CA 3.34Å; K777-C784 VanDerWaalsContact CE-SG 3.58Å; C784-G786 PolarHBondContact O-N 3.43Å
785	L	89.3	Confident	88.2	Confident	10 Å²	10	73.5 Å²	73.5	5%	0.052	40%	0.401	C	S	.	.			trans	-56.2	-35.9	176.4	-98.1	64.1	0	0	0	112.7	K742 S745 I746 L773 A774 L776 P778 L789	K742-L785 HydrophobicContact CB-CD1 4.24Å; K742-L785 HydrophobicContact CB-CG 4.45Å; K742-L785 HydrophobicContact CG-CD1 4.27Å; S745-L785 WeakPolarHBondContact OG-CD1 3.4Å; I746-L785 HydrophobicContact CD1-CD2 3.75Å; I746-L785 HydrophobicContact CG1-CD2 3.68Å; L773-L785 HydrophobicContact CB-CD2 4.41Å; L773-L785 WeakPolarHBondContact O-CB 3.45Å; A774-L785 PolarHBondContact O-N 2.78Å; L776-L785 HydrophobicContact CB-CD1 3.94Å; L776-L785 HydrophobicContact CB-CD2 4.23Å; L776-L785 HydrophobicContact CD1-CD2 4.46Å; L776-L785 WeakPolarHBondContact O-CD1 3.19Å; L776-L785 PolarHBondContact O-N 3.42Å; P778-L785 HydrophobicContact CG-CD1 4.06Å; L785-L789 HydrophobicContact CB-CD2 4.39Å; L785-L789 HydrophobicContact CD2-CD2 4.36Å; L785-L789 HydrophobicContact CG-CD2 4.07Å
786	G	90.2	Very high	88.2	Confident	31 Å²	31	68.3 Å²	68.3	32%	0.32	39%	0.386	S	S	.	.			trans	86.7	153.7	-179.6	0	0	0	0	0	112.9	A774 C784 A788 L789 S790	A774-G786 PolarHBondContact O-N 2.84Å; A774-G786 VanDerWaalsContact O-N 3.09Å; C784-G786 PolarHBondContact O-N 3.43Å; G786-A788 PolarHBondContact O-N 2.64Å; G786-L789 PolarHBondContact O-N 3.4Å; G786-S790 PolarHBondContact O-N 3.1Å; G786-S790 VanDerWaalsContact O-N 3.16Å
787	T	91.8	Very high	88.3	Confident	78 Å²	78	69.5 Å²	69.5	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-43	-176.1	51.2	0	0	0	0	112.5	A774 L789 S790 Q791	A774-T787 HydrophobicContact CB-CG2 4.03Å; T787-L789 VanDerWaalsContact C-N 3.33Å; T787-L789 PolarHBondContact O-N 3.01Å; T787-S790 PolarHBondContact O-N 3.06Å; T787-Q791 WeakPolarHBondContact O-CB 3.43Å; T787-Q791 VanDerWaalsContact O-CG 3.25Å; T787-Q791 WeakPolarHBondContact O-CG 3.24Å; T787-Q791 PolarHBondContact O-N 3.31Å
788	A	92.1	Very high	88.1	Confident	66 Å²	66	65.6 Å²	65.6	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-59.4	-41.4	-178.6	0	0	0	0	0	113.1	G786 S792	G786-A788 PolarHBondContact O-N 2.64Å; A788-S792 WeakPolarHBondContact O-CB 3.25Å; A788-S792 PolarHBondContact O-N 3.18Å; A788-S792 VanDerWaalsContact O-N 3.08Å; A788-S792 PolarHBondContact O-OG 3.43Å
789	L	92.4	Very high	87.5	Confident	13 Å²	13	68.8 Å²	68.8	7%	0.068	40%	0.395	C	S	.	.	H	α-helix	trans	-72.2	-43.4	178.1	-176.1	61.7	0	0	0	110.9	I735 K742 L785 G786 T787 Q791 S792 I793	I735-L789 HydrophobicContact CG2-CD1 4.46Å; K742-L789 HydrophobicContact CD-CD2 3.69Å; L785-L789 HydrophobicContact CB-CD2 4.39Å; L785-L789 HydrophobicContact CD2-CD2 4.36Å; L785-L789 HydrophobicContact CG-CD2 4.07Å; G786-L789 PolarHBondContact O-N 3.4Å; T787-L789 VanDerWaalsContact C-N 3.33Å; T787-L789 PolarHBondContact O-N 3.01Å; L789-Q791 VanDerWaalsContact C-N 3.31Å; L789-Q791 PolarHBondContact O-N 2.97Å; L789-S792 WeakPolarHBondContact O-CB 3.43Å; L789-S792 PolarHBondContact O-N 2.98Å; L789-I793 HydrophobicContact CD1-CD1 4.39Å; L789-I793 HydrophobicContact CG-CD1 4.05Å; L789-I793 WeakPolarHBondContact O-CG1 3.4Å; L789-I793 PolarHBondContact O-N 3.04Å
790	S	94.5	Very high	86.2	Confident	0 Å²	0	76 Å²	76	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-57.4	-44.2	175.8	-179.8	0	0	0	0	111.8	G770 L773 A774 G786 T787 I793 A794	G770-S790 CarbonylContact O-C 3.22Å; G770-S790 WeakPolarHBondContact O-CB 3.44Å; G770-S790 PolarHBondContact O-OG 3.4Å; L773-S790 PolarHBondContact N-OG 3.33Å; A774-S790 PolarHBondContact N-OG 3.33Å; G786-S790 PolarHBondContact O-N 3.1Å; G786-S790 VanDerWaalsContact O-N 3.16Å; T787-S790 PolarHBondContact O-N 3.06Å; S790-I793 PolarHBondContact O-N 2.98Å; S790-A794 WeakPolarHBondContact O-CB 3.37Å; S790-A794 PolarHBondContact O-N 3.33Å
791	Q	92.9	Very high	86.7	Confident	103 Å²	103	72.8 Å²	72.8	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-40.9	176.1	-72.7	171.8	-3.4	0	0	112	G770 T787 L789 I793 A794 F795	G770-Q791 WeakPolarHBondContact O-CG 3.21Å; G770-Q791 PolarHBondContact O-N 3.01Å; G770-Q791 VanDerWaalsContact O-N 3.1Å; T787-Q791 WeakPolarHBondContact O-CB 3.43Å; T787-Q791 VanDerWaalsContact O-CG 3.25Å; T787-Q791 WeakPolarHBondContact O-CG 3.24Å; T787-Q791 PolarHBondContact O-N 3.31Å; L789-Q791 VanDerWaalsContact C-N 3.31Å; L789-Q791 PolarHBondContact O-N 2.97Å; Q791-I793 VanDerWaalsContact C-N 3.34Å; Q791-I793 PolarHBondContact O-N 3.31Å; Q791-A794 PolarHBondContact O-N 3.35Å; Q791-F795 WeakPolarHBondContact O-CB 3.45Å; Q791-F795 PolarHBondContact O-N 2.98Å
792	S	92.5	Very high	87.1	Confident	58 Å²	58	74.4 Å²	74.4	41%	0.406	41%	0.409	S	S	.	.	H	α-helix	trans	-63.3	-40.8	177.6	-59.7	0	0	0	0	111.9	A788 L789 A796	A788-S792 WeakPolarHBondContact O-CB 3.25Å; A788-S792 PolarHBondContact O-N 3.18Å; A788-S792 VanDerWaalsContact O-N 3.08Å; A788-S792 PolarHBondContact O-OG 3.43Å; L789-S792 WeakPolarHBondContact O-CB 3.43Å; L789-S792 PolarHBondContact O-N 2.98Å; S792-A796 PolarHBondContact O-N 3.35Å; S792-A796 VanDerWaalsContact O-N 3.12Å
793	I	93.6	Very high	87.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-68.4	-47.5	175.5	-61.9	165.9	0	0	0	109.9	L732 I735 I746 L756 Y760 L773 L789 S790 Q791 F795 A796 F797	L732-I793 HydrophobicContact CD2-CG2 4.28Å; I735-I793 HydrophobicContact CD1-CB 4.39Å; I735-I793 HydrophobicContact CD1-CG1 3.9Å; I735-I793 HydrophobicContact CG2-CG1 4.47Å; I746-I793 HydrophobicContact CD1-CD1 3.69Å; L756-I793 HydrophobicContact CD2-CG2 4.38Å; Y760-I793 WeakPolarHBondContact OH-CG2 3.13Å; L773-I793 HydrophobicContact CD1-CB 4.13Å; L773-I793 HydrophobicContact CD1-CD1 3.96Å; L773-I793 HydrophobicContact CD1-CG2 3.74Å; L789-I793 HydrophobicContact CD1-CD1 4.39Å; L789-I793 HydrophobicContact CG-CD1 4.05Å; L789-I793 WeakPolarHBondContact O-CG1 3.4Å; L789-I793 PolarHBondContact O-N 3.04Å; S790-I793 PolarHBondContact O-N 2.98Å; Q791-I793 VanDerWaalsContact C-N 3.34Å; Q791-I793 PolarHBondContact O-N 3.31Å; I793-F795 VanDerWaalsContact C-N 3.28Å; I793-F795 PolarHBondContact O-N 3.4Å; I793-A796 WeakPolarHBondContact O-CB 3.09Å; I793-A796 PolarHBondContact O-N 3.4Å; I793-F797 HydrophobicContact CG2-CD2 3.78Å; I793-F797 HydrophobicContact CG2-CE2 3.89Å; I793-F797 WeakPolarHBondContact O-CD2 3.47Å; I793-F797 PolarHBondContact O-N 2.98Å; I793-F797 VanDerWaalsContact O-N 3.13Å
794	A	93.1	Very high	87.8	Confident	7 Å²	7	61.6 Å²	61.6	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-57	-43.3	178.3	0	0	0	0	0	111.7	Y760 K769 S790 Q791 A796 F797 N798	Y760-A794 HydrophobicContact CE1-CB 3.78Å; Y760-A794 WeakPolarHBondContact OH-CA 3.27Å; Y760-A794 PolarHBondContact OH-N 3.25Å; K769-A794 WeakPolarHBondContact O-CB 3.14Å; S790-A794 WeakPolarHBondContact O-CB 3.37Å; S790-A794 PolarHBondContact O-N 3.33Å; Q791-A794 PolarHBondContact O-N 3.35Å; A794-A796 PolarHBondContact O-N 3.45Å; A794-F797 PolarHBondContact O-N 2.92Å; A794-N798 VanDerWaalsContact O-CB 3.31Å; A794-N798 WeakPolarHBondContact O-CB 3.37Å; A794-N798 PolarHBondContact O-N 3.42Å; A794-N798 PolarHBondContact O-ND2 3.28Å
795	F	91.3	Very high	87.7	Confident	146 Å²	146	61.9 Å²	61.9	64%	0.64	36%	0.36	S	S	*	.	H	α-helix	trans	-60	-44.9	174.6	-176.6	-99.1	0	0	0	111.9	Q791 I793 F797 N798 T799	Q791-F795 WeakPolarHBondContact O-CB 3.45Å; Q791-F795 PolarHBondContact O-N 2.98Å; I793-F795 VanDerWaalsContact C-N 3.28Å; I793-F795 PolarHBondContact O-N 3.4Å; F795-F797 VanDerWaalsContact C-N 3.3Å; F795-F797 PolarHBondContact O-N 3.03Å; F795-N798 PolarHBondContact O-N 3.01Å; F795-T799 VanDerWaalsContact CD2-OG1 3.24Å; F795-T799 WeakPolarHBondContact CD2-OG1 3.28Å; F795-T799 HydrophobicContact CE2-CG2 4.03Å; F795-T799 VanDerWaalsContact CE2-OG1 3.27Å; F795-T799 WeakPolarHBondContact CE2-OG1 3.14Å; F795-T799 HydrophobicContact CZ-CG2 4.02Å; F795-T799 WeakPolarHBondContact O-CB 3.48Å; F795-T799 PolarHBondContact O-N 3.09Å; F795-T799 PolarHBondContact O-OG1 3.28Å
796	A	91	Very high	87.6	Confident	57 Å²	57	65.3 Å²	65.3	47%	0.471	38%	0.38	S	S	.	.	H	α-helix	trans	-63	-31.2	-179.6	0	0	0	0	0	114	I735 S792 I793 A794	I735-A796 HydrophobicContact CD1-CB 3.95Å; S792-A796 PolarHBondContact O-N 3.35Å; S792-A796 VanDerWaalsContact O-N 3.12Å; I793-A796 WeakPolarHBondContact O-CB 3.09Å; I793-A796 PolarHBondContact O-N 3.4Å; A794-A796 PolarHBondContact O-N 3.45Å
797	F	90.2	Very high	87.4	Confident	54 Å²	54	67.8 Å²	67.8	24%	0.237	38%	0.384	C	S	.	.	H	α-helix	trans	-97.5	-12.1	-178.7	-74.8	-83.7	0	0	0	114.7	F728 L732 L756 M757 Y760 I793 A794 F795	F728-F797 HydrophobicContact CE2-CE1 4.07Å; F728-F797 AromaticContact CE2-CZ 3.66Å; F728-F797 HydrophobicContact CE2-CZ 3.66Å; L732-F797 HydrophobicContact CD2-CE2 3.89Å; L732-F797 HydrophobicContact CD2-CZ 4.22Å; L756-F797 HydrophobicContact CD2-CD2 4.05Å; L756-F797 HydrophobicContact CD2-CE2 4.03Å; L756-F797 HydrophobicContact CD2-CG 4.39Å; L756-F797 HydrophobicContact CD2-CZ 4.35Å; M757-F797 HydrophobicContact CG-CD1 4.29Å; Y760-F797 HydrophobicContact CD2-CB 4.17Å; Y760-F797 HydrophobicContact CE2-CB 3.99Å; Y760-F797 HydrophobicContact CE2-CG 4.45Å; I793-F797 HydrophobicContact CG2-CD2 3.78Å; I793-F797 HydrophobicContact CG2-CE2 3.89Å; I793-F797 WeakPolarHBondContact O-CD2 3.47Å; I793-F797 PolarHBondContact O-N 2.98Å; I793-F797 VanDerWaalsContact O-N 3.13Å; A794-F797 PolarHBondContact O-N 2.92Å; F795-F797 VanDerWaalsContact C-N 3.3Å; F795-F797 PolarHBondContact O-N 3.03Å
798	N	84.4	Confident	87	Confident	50 Å²	50	67 Å²	67	27%	0.267	38%	0.377	S	S	.	.	H	α-helix	trans	-115.7	-3.5	-176.5	-68.4	-91.1	0	0	0	114.3	K769 A794 F795	K769-N798 PolarHBondContact NZ-OD1 3.44Å; A794-N798 VanDerWaalsContact O-CB 3.31Å; A794-N798 WeakPolarHBondContact O-CB 3.37Å; A794-N798 PolarHBondContact O-N 3.42Å; A794-N798 PolarHBondContact O-ND2 3.28Å; F795-N798 PolarHBondContact O-N 3.01Å
799	T	74.5	Confident	86.6	Confident	76 Å²	76	67.1 Å²	67.1	47%	0.466	36%	0.363	S	S	.	.			trans	-99.9	109.8	178.9	-41	0	0	0	0	109.2	F795	F795-T799 VanDerWaalsContact CD2-OG1 3.24Å; F795-T799 WeakPolarHBondContact CD2-OG1 3.28Å; F795-T799 HydrophobicContact CE2-CG2 4.03Å; F795-T799 VanDerWaalsContact CE2-OG1 3.27Å; F795-T799 WeakPolarHBondContact CE2-OG1 3.14Å; F795-T799 HydrophobicContact CZ-CG2 4.02Å; F795-T799 WeakPolarHBondContact O-CB 3.48Å; F795-T799 PolarHBondContact O-N 3.09Å; F795-T799 PolarHBondContact O-OG1 3.28Å
800	L	48.9	Very low	86.1	Confident	241 Å²	241	72 Å²	72	100%	1.262	39%	0.39	S	S	*	.			trans	-88.9	0	167.6	-83.6	166.9	0	0	0	110.7

Retrieved 800 of 800 residues in 635 ms (Link to these results)

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