A0A096MT06_PAPAN Loading...

Dual serine/threonine and tyrosine protein kinase

Acts as a positive regulator of ERK phosphorylation downstream of fibroblast growth factor-receptor activation. Involved in the regulation of both caspase-dependent apoptosis and caspase-independent cell death. In the skin, it plays a predominant role in suppressing caspase-dependent apoptosis in response to UV stress in a range of dermal cell types.

AlphaFold DB , UniProt , Accession A0A096MT06, Species PAPAN (Papio anubis, Olive baboon), Gene DSTYK, Length 931 aa.

						>A0A096MT06_PAPAN|A0A096MT06|DSTYK
MEGNGVPWGSEPVSGPGPGPGGGGMIRELCRGFGRYRRYLGRLRQNLRETQKFFRDIKCSHNHTCPSSPTSGGGAERGPAGDVAETGLQAGQLSCISFPPKEEKYLQQIVDCLPCILILGQDCNVKCQLLNLLLGVQVLPTTKLGSEESCKLRRLRFTYGTQTRVSLALPGQYELVHTLVAHQGNWETIPEEDLEVQENNEDAAHVLAELEVTMHHALLQEVDVVVAPCQGLRPTVDVLGDLVNDFLPVITYALHKDELSERDEQELQEIRKYFSFPVFFFKVSKLGSEITDSSTRRTESERSLLYRQLIDLGYLSSSHWNCGTPGQDTKAQSVLVEQSEKLRHLSTFSHQVLQTRLVDAAKALNLVHCHCLDIFINQAFDMQRDLQITPKRLEYTRKKENELYESLMNIANRKQEEMKDMIVETLNTMKEELLDDAANMEFKDVIVPENGEPVGTREIKCCIRQIQELIISRLNQAVANKLISSVDYLRESFVGTLERCLQSLEKSQDVSVHITSNYLKQILNAAYHVEVTFHSGSSVTRMLWEQIKQIIQRITWVSPPAITLEWKRKVAQEAIESLSASKLAKSICSQFRTRLNSSHEAFAASLRQLEAGHSGRLEKTEDLWLKVRKDHAPRLARLSLESRSLQDVLLHRKPKLGQELGRGQYGVVYLCDNWGGHFPCALKSVVPPDEKHWNDLALEFHYMRSLPKHERLVDLHGSVIDYNYGGGSSIAVLLIMERLHRDLYTGLKAGLTLETRLQIALDVVEGIRFLHSQGLVHRDIKLKNVLLDKQNRAKITDLGFCKPEAMMSGSIVGTPIHMAPELFTGKYDNSVDVYAFGILFWYICSGSVKLPEAFERCASKDHLWNNVRRGARPERLPVFDEECWQLMEACWDGDPLKRPLLGIVQPMLQGIMDRLCKSNSEQPNRGLDDST
					

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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	29.3	Very low	26.8	Very low	250 Å²	250	145.7 Å²	145.7	100%	1.232	85%	0.848	S	S	*	*				0	124.4	0	-79.4	-177.9	172.5	0	0	107.1
2	E	28.4	Very low	26.7	Very low	206 Å²	206	143 Å²	143	96%	0.963	84%	0.839	S	S	*	*			trans	-74.2	156.7	-156.2	-63.6	168.2	142.3	0	0	114.3
3	G	24.1	Very low	27	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	84%	0.836	S	S	*	*			trans	161.4	63.1	165.4	0	0	0	0	0	116.7
4	N	25.3	Very low	27.4	Very low	163 Å²	163	140.4 Å²	140.4	87%	0.872	84%	0.835	S	S	*	*			trans	32	96.9	153.5	-66.2	-17	0	0	0	119.9
5	G	24	Very low	27.4	Very low	85 Å²	85	135.3 Å²	135.3	88%	0.876	82%	0.822	S	S	*	*			trans	-85.6	114.2	161.6	0	0	0	0	0	111.8
6	V	24.9	Very low	27.7	Very low	110 Å²	110	135.2 Å²	135.2	67%	0.667	83%	0.825	S	S	*	*			trans	-85.6	137.9	166.8	-179.9	0	0	0	0	108.5	W8	V6-W8 PolarHBondContact O-N 2.88Å
7	P	27.2	Very low	27.9	Very low	120 Å²	120	131.5 Å²	131.5	78%	0.779	82%	0.821	S	S	*	*			trans	-74.8	118.8	179	1.3	14.4	0	0	0	110.4	G9	P7-G9 PolarHBondContact O-N 2.8Å; P7-G9 VanDerWaalsContact O-N 3.13Å
8	W	29.2	Very low	28.1	Very low	258 Å²	258	131.6 Å²	131.6	98%	0.977	82%	0.823	S	S	*	*			trans	-81.7	87.8	175.1	-76	61.6	0	0	0	109.9	V6	V6-W8 PolarHBondContact O-N 2.88Å
9	G	28.7	Very low	28.1	Very low	68 Å²	68	128.4 Å²	128.4	70%	0.701	82%	0.818	S	S	*	*			trans	-154.8	45.6	-174.8	0	0	0	0	0	114.1	P7	P7-G9 PolarHBondContact O-N 2.8Å; P7-G9 VanDerWaalsContact O-N 3.13Å
10	S	24.8	Very low	28.6	Very low	107 Å²	107	129 Å²	129	75%	0.748	82%	0.823	S	S	*	*			trans	-169.8	122.7	164.9	39.1	0	0	0	0	109.4
11	E	29.4	Very low	29.3	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.762	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-55.3	125.3	158	-71.9	-178	147.2	0	0	107.2	V13	E11-V13 PolarHBondContact O-N 3.35Å; E11-V13 VanDerWaalsContact O-N 3.13Å
12	P	24.9	Very low	30.1	Very low	113 Å²	113	116.6 Å²	116.6	73%	0.734	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.5	117.9	174.1	26.7	-29.5	0	0	0	107.6	S14	P12-S14 PolarHBondContact O-N 3.02Å
13	V	31.4	Very low	31.7	Very low	133 Å²	133	109.4 Å²	109.4	81%	0.806	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-49.3	129.8	157.8	174.1	0	0	0	0	107	E11 G15	E11-V13 PolarHBondContact O-N 3.35Å; E11-V13 VanDerWaalsContact O-N 3.13Å; V13-G15 PolarHBondContact O-N 2.75Å
14	S	32.9	Very low	34.4	Very low	117 Å²	117	107.7 Å²	107.7	82%	0.818	75%	0.747	S	S	*	*			trans	-47.2	102.3	178.7	44.3	0	0	0	0	111.8	P12	P12-S14 PolarHBondContact O-N 3.02Å
15	G	27.1	Very low	37.3	Very low	63 Å²	63	100.8 Å²	100.8	65%	0.649	71%	0.709	S	S	*	*			trans	-87.4	152.1	161.3	0	0	0	0	0	110.7	V13	V13-G15 PolarHBondContact O-N 2.75Å
16	P	32	Very low	40.4	Very low	134 Å²	134	98 Å²	98	87%	0.87	67%	0.674	S	S	*	*			trans	-82.5	132.1	-170.7	32.6	-31.8	0	0	0	112.8
17	G	30.7	Very low	43.5	Very low	72 Å²	72	100.7 Å²	100.7	74%	0.742	67%	0.672	S	S	*	*			trans	73	139.5	156.6	0	0	0	0	0	117.7
18	P	31.1	Very low	46.5	Very low	134 Å²	134	99.3 Å²	99.3	87%	0.87	66%	0.656	S	S	*	*				-131.6	145.5	60	35.9	-21.3	0	0	0	115.6
19	G	27.8	Very low	49.6	Very low	71 Å²	71	87.1 Å²	87.1	73%	0.732	61%	0.609	S	S	*	*			trans	77.2	131.9	154.1	0	0	0	0	0	119.1
20	P	39.8	Very low	52.7	Low	139 Å²	139	85 Å²	85	90%	0.903	58%	0.583	S	S	*	*	S	Bend	trans	-82.5	137.6	170.8	33.3	-28.6	0	0	0	111.3
21	G	43.3	Very low	55.8	Low	79 Å²	79	88.2 Å²	88.2	81%	0.814	58%	0.579	S	S	*	*	S	Bend	trans	106.9	111.6	164.6	0	0	0	0	0	115.5	G23	G21-G23 PolarHBondContact O-N 2.75Å
22	G	46.3	Very low	58.8	Low	40 Å²	40	81.1 Å²	81.1	41%	0.412	55%	0.55	S	S	.	.	S	Bend	trans	100.3	-68.8	165	0	0	0	0	0	116.6	G24 M25	G22-G24 VanDerWaalsContact C-N 3.33Å; G22-G24 PolarHBondContact O-N 3.3Å; G22-M25 PolarHBondContact O-N 3.05Å
23	G	61.5	Low	62	Low	56 Å²	56	75.8 Å²	75.8	58%	0.577	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-27.4	-166.1	0	0	0	0	0	116.2	G21 R27	G21-G23 PolarHBondContact O-N 2.75Å; G23-R27 WeakPolarHBondContact O-CB 3.43Å; G23-R27 PolarHBondContact O-N 3.47Å
24	G	79.5	Confident	64.9	Low	36 Å²	36	70.2 Å²	70.2	37%	0.371	49%	0.485	S	S	.	.	H	α-helix	trans	-68.1	-41.7	179.2	0	0	0	0	0	113.6	G22 E28	G22-G24 VanDerWaalsContact C-N 3.33Å; G22-G24 PolarHBondContact O-N 3.3Å; G24-E28 WeakPolarHBondContact O-CG 3.35Å; G24-E28 PolarHBondContact O-N 3.32Å
25	M	86.5	Confident	67.6	Low	18 Å²	18	69 Å²	69	9%	0.089	46%	0.462	C	S	.	.	H	α-helix	trans	-69	-47.5	-177.9	176.9	-174.8	75.3	0	0	111.8	G22 R27 E28 L29 L133 L342 R343	G22-M25 PolarHBondContact O-N 3.05Å; M25-R27 VanDerWaalsContact C-N 3.26Å; M25-R27 PolarHBondContact O-N 2.54Å; M25-E28 PolarHBondContact O-N 3.48Å; M25-E28 VanDerWaalsContact O-N 3.09Å; M25-L29 HydrophobicContact CG-CD1 4Å; M25-L29 PolarHBondContact O-N 2.74Å; M25-L133 HydrophobicContact CE-CD1 4.3Å; M25-L342 HydrophobicContact CE-CD2 3.95Å; M25-L342 HydrophobicContact CE-CG 4.31Å; M25-L342 HydrophobicContact SD-CB 4.23Å; M25-L342 HydrophobicContact SD-CD2 3.91Å; M25-L342 HydrophobicContact SD-CG 3.62Å; M25-R343 HydrophobicContact CB-CB 4.49Å
26	I	89.8	Confident	70.8	Confident	26 Å²	26	66.3 Å²	66.3	13%	0.133	43%	0.432	C	S	.	.	H	α-helix	trans	-56.6	-45.2	178.7	-66.2	171.2	0	0	0	109.8	E28 L29 C30 L218	I26-E28 VanDerWaalsContact C-N 3.33Å; I26-E28 PolarHBondContact O-N 3.32Å; I26-L29 PolarHBondContact O-N 3.2Å; I26-C30 WeakPolarHBondContact O-CB 3.41Å; I26-C30 PolarHBondContact O-N 3.43Å; I26-C30 PolarHBondContact O-SG 3.4Å; I26-L218 HydrophobicContact CG2-CB 4.34Å
27	R	90.2	Very high	73.6	Confident	167 Å²	167	64 Å²	64	63%	0.63	41%	0.406	S	S	*	.	H	α-helix	trans	-60.7	-38.8	177.6	-172.5	179.2	66.3	-170.7	-0.6	113	G23 M25 R31	G23-R27 WeakPolarHBondContact O-CB 3.43Å; G23-R27 PolarHBondContact O-N 3.47Å; M25-R27 VanDerWaalsContact C-N 3.26Å; M25-R27 PolarHBondContact O-N 2.54Å; R27-R31 WeakPolarHBondContact O-CB 3.48Å; R27-R31 WeakPolarHBondContact O-CG 3.35Å; R27-R31 PolarHBondContact O-N 3.43Å; R27-R31 VanDerWaalsContact O-N 3.08Å
28	E	90.7	Very high	76.5	Confident	92 Å²	92	68.4 Å²	68.4	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-69.7	-42.3	176.2	-73.6	-179.9	-178	0	0	112.4	G24 M25 I26 R31 G32 S346	G24-E28 WeakPolarHBondContact O-CG 3.35Å; G24-E28 PolarHBondContact O-N 3.32Å; M25-E28 PolarHBondContact O-N 3.48Å; M25-E28 VanDerWaalsContact O-N 3.09Å; I26-E28 VanDerWaalsContact C-N 3.33Å; I26-E28 PolarHBondContact O-N 3.32Å; E28-R31 PolarHBondContact O-N 3.03Å; E28-G32 PolarHBondContact O-N 2.76Å; E28-S346 PolarHBondContact OE2-OG 3.28Å
29	L	92.7	Very high	79.5	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-50.8	174.5	-73.2	166.7	0	0	0	110.8	M25 I26 R31 G32 F33 L133 L218 L345	M25-L29 HydrophobicContact CG-CD1 4Å; M25-L29 PolarHBondContact O-N 2.74Å; I26-L29 PolarHBondContact O-N 3.2Å; L29-R31 VanDerWaalsContact C-N 3.28Å; L29-R31 PolarHBondContact O-N 3.14Å; L29-G32 WeakPolarHBondContact O-CA 3.49Å; L29-G32 PolarHBondContact O-N 3.44Å; L29-F33 HydrophobicContact CB-CD2 4.4Å; L29-F33 HydrophobicContact CB-CE2 4.44Å; L29-F33 HydrophobicContact CD2-CE2 3.96Å; L29-F33 VanDerWaalsContact O-CD2 3.25Å; L29-F33 WeakPolarHBondContact O-CD2 3.44Å; L29-F33 PolarHBondContact O-N 3.43Å; L29-L133 HydrophobicContact CD1-CD1 3.78Å; L29-L218 HydrophobicContact CB-CD1 3.61Å; L29-L218 HydrophobicContact CD1-CD1 4.32Å; L29-L218 HydrophobicContact CD1-CD2 4.32Å; L29-L345 HydrophobicContact CD2-CG 4.34Å
30	C	93.6	Very high	82.7	Confident	23 Å²	23	60.3 Å²	60.3	16%	0.155	33%	0.331	C	S	.	.	H	α-helix	trans	-54.2	-44.8	175.4	-66.5	0	0	0	0	111.5	I26 G32 G34 A217 E221	I26-C30 WeakPolarHBondContact O-CB 3.41Å; I26-C30 PolarHBondContact O-N 3.43Å; I26-C30 PolarHBondContact O-SG 3.4Å; C30-G32 VanDerWaalsContact C-N 3.34Å; C30-G32 PolarHBondContact O-N 3.34Å; C30-G34 PolarHBondContact O-N 2.84Å; C30-A217 PolarHBondContact SG-O 3Å; C30-A217 VanDerWaalsContact SG-O 3.37Å; C30-E221 HydrophobicContact CB-CG 4.21Å
31	R	91.3	Very high	85.3	Confident	176 Å²	176	55.3 Å²	55.3	66%	0.664	30%	0.304	S	S	*	.	H	α-helix	trans	-61.5	-40	174.8	-85.9	-177.9	163.3	-164.1	-3.1	112.6	R27 E28 L29 R35	R27-R31 WeakPolarHBondContact O-CB 3.48Å; R27-R31 WeakPolarHBondContact O-CG 3.35Å; R27-R31 PolarHBondContact O-N 3.43Å; R27-R31 VanDerWaalsContact O-N 3.08Å; E28-R31 PolarHBondContact O-N 3.03Å; L29-R31 VanDerWaalsContact C-N 3.28Å; L29-R31 PolarHBondContact O-N 3.14Å; R31-R35 WeakPolarHBondContact O-CB 3Å; R31-R35 PolarHBondContact O-N 3.09Å; R31-R35 VanDerWaalsContact O-N 3.09Å
32	G	91.1	Very high	87.7	Confident	13 Å²	13	55.2 Å²	55.2	13%	0.134	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-54.2	178.8	0	0	0	0	0	112.6	E28 L29 C30 R35 Y36	E28-G32 PolarHBondContact O-N 2.76Å; L29-G32 WeakPolarHBondContact O-CA 3.49Å; L29-G32 PolarHBondContact O-N 3.44Å; C30-G32 VanDerWaalsContact C-N 3.34Å; C30-G32 PolarHBondContact O-N 3.34Å; G32-R35 PolarHBondContact O-N 3.08Å; G32-Y36 PolarHBondContact O-N 3.39Å
33	F	93.7	Very high	90.1	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-42.5	179.9	-73.6	-76.4	0	0	0	112.4	L29 R35 Y36 R37 P114 I116 E221 V222 V249 L353	L29-F33 HydrophobicContact CB-CD2 4.4Å; L29-F33 HydrophobicContact CB-CE2 4.44Å; L29-F33 HydrophobicContact CD2-CE2 3.96Å; L29-F33 VanDerWaalsContact O-CD2 3.25Å; L29-F33 WeakPolarHBondContact O-CD2 3.44Å; L29-F33 PolarHBondContact O-N 3.43Å; F33-R35 VanDerWaalsContact C-N 3.29Å; F33-R35 PolarHBondContact O-N 2.91Å; F33-Y36 WeakPolarHBondContact O-CB 3.35Å; F33-Y36 PolarHBondContact O-N 3.23Å; F33-Y36 VanDerWaalsContact O-N 3.1Å; F33-R37 PolarHBondContact O-N 3.21Å; F33-P114 HydrophobicContact CD1-CB 3.88Å; F33-P114 HydrophobicContact CD1-CG 3.79Å; F33-P114 HydrophobicContact CE1-CB 3.85Å; F33-P114 HydrophobicContact CE1-CG 4.27Å; F33-I116 HydrophobicContact CE2-CD1 3.96Å; F33-I116 HydrophobicContact CE2-CG1 4.26Å; F33-I116 HydrophobicContact CZ-CD1 3.99Å; F33-I116 HydrophobicContact CZ-CG1 3.76Å; F33-E221 HydrophobicContact CB-CB 3.88Å; F33-V222 HydrophobicContact CD1-CB 3.83Å; F33-V222 HydrophobicContact CD1-CG1 4.48Å; F33-V222 HydrophobicContact CD1-CG2 3.78Å; F33-V222 HydrophobicContact CD2-CB 4.11Å; F33-V222 HydrophobicContact CD2-CG1 3.9Å; F33-V222 HydrophobicContact CE1-CB 4Å; F33-V222 HydrophobicContact CE1-CG1 4.47Å; F33-V222 HydrophobicContact CE1-CG2 3.5Å; F33-V222 VanDerWaalsContact CE1-CG2 3.5Å; F33-V222 HydrophobicContact CE2-CB 4.29Å; F33-V222 HydrophobicContact CE2-CG1 3.92Å; F33-V222 HydrophobicContact CE2-CG2 4.35Å; F33-V222 HydrophobicContact CG-CB 3.91Å; F33-V222 HydrophobicContact CG-CG1 4.22Å; F33-V222 HydrophobicContact CG-CG2 4.33Å; F33-V222 HydrophobicContact CZ-CB 4.24Å; F33-V222 HydrophobicContact CZ-CG1 4.22Å; F33-V222 HydrophobicContact CZ-CG2 3.83Å; F33-V249 HydrophobicContact CE1-CG2 4.23Å; F33-V249 HydrophobicContact CZ-CG2 4.16Å; F33-L353 HydrophobicContact CD1-CD1 3.57Å; F33-L353 HydrophobicContact CE1-CD1 3.6Å; F33-L353 HydrophobicContact CE1-CD2 4.31Å; F33-L353 HydrophobicContact CE1-CG 4.42Å; F33-L353 HydrophobicContact CG-CD1 4.23Å; F33-L353 HydrophobicContact CZ-CD1 4.26Å
34	G	91.4	Very high	91.8	Very high	16 Å²	16	54.8 Å²	54.8	17%	0.165	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-35.3	175.7	0	0	0	0	0	112.7	C30 R38 E221	C30-G34 PolarHBondContact O-N 2.84Å; G34-R38 PolarHBondContact O-N 2.76Å; G34-R38 VanDerWaalsContact O-N 3.15Å; G34-E221 WeakPolarHBondContact CA-OE2 3.3Å; G34-E221 PolarHBondContact N-OE2 2.95Å
35	R	90.6	Very high	92.6	Very high	91 Å²	91	56.8 Å²	56.8	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-43.2	171.6	-178.8	-179.2	-69.5	-169	1.6	111.6	R31 G32 F33 R38 Y39	R31-R35 WeakPolarHBondContact O-CB 3Å; R31-R35 PolarHBondContact O-N 3.09Å; R31-R35 VanDerWaalsContact O-N 3.09Å; G32-R35 PolarHBondContact O-N 3.08Å; F33-R35 VanDerWaalsContact C-N 3.29Å; F33-R35 PolarHBondContact O-N 2.91Å; R35-R38 PolarHBondContact O-N 2.8Å; R35-Y39 HydrophobicContact CG-CD2 3.67Å; R35-Y39 HydrophobicContact CG-CE2 3.35Å; R35-Y39 WeakPolarHBondContact O-CD2 3.2Å; R35-Y39 PolarHBondContact O-N 2.96Å; R35-Y39 VanDerWaalsContact O-N 3.15Å
36	Y	92.5	Very high	93.1	Very high	6 Å²	6	56.2 Å²	56.2	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-51.4	175.1	173.8	-94.1	0	0	0	111.3	G32 F33 R38 Y39 L40 P114 L247 L353 L357	G32-Y36 PolarHBondContact O-N 3.39Å; F33-Y36 WeakPolarHBondContact O-CB 3.35Å; F33-Y36 PolarHBondContact O-N 3.23Å; F33-Y36 VanDerWaalsContact O-N 3.1Å; Y36-R38 VanDerWaalsContact C-N 3.27Å; Y36-R38 PolarHBondContact O-N 3.34Å; Y36-Y39 PolarHBondContact O-N 2.77Å; Y36-Y39 VanDerWaalsContact O-N 3.11Å; Y36-L40 HydrophobicContact CE1-CB 4.38Å; Y36-L40 HydrophobicContact CE1-CD2 3.83Å; Y36-L40 WeakPolarHBondContact O-CB 3.39Å; Y36-L40 PolarHBondContact O-N 3.43Å; Y36-P114 HydrophobicContact CD1-CB 4.31Å; Y36-P114 HydrophobicContact CD1-CG 3.8Å; Y36-P114 HydrophobicContact CE1-CB 4.14Å; Y36-P114 HydrophobicContact CE1-CG 3.87Å; Y36-L247 HydrophobicContact CE2-CD2 4.1Å; Y36-L247 WeakPolarHBondContact OH-CD2 3.36Å; Y36-L353 HydrophobicContact CD1-CD2 4.26Å; Y36-L353 HydrophobicContact CD2-CB 3.54Å; Y36-L353 HydrophobicContact CD2-CD2 3.89Å; Y36-L353 HydrophobicContact CD2-CG 4.17Å; Y36-L353 HydrophobicContact CE1-CD2 4.36Å; Y36-L353 HydrophobicContact CE2-CB 4.1Å; Y36-L353 HydrophobicContact CE2-CD2 3.94Å; Y36-L353 HydrophobicContact CG-CB 4.1Å; Y36-L353 HydrophobicContact CG-CD1 4.25Å; Y36-L353 HydrophobicContact CG-CD2 4.03Å; Y36-L353 HydrophobicContact CG-CG 4.35Å; Y36-L357 HydrophobicContact CD2-CD1 3.36Å; Y36-L357 HydrophobicContact CD2-CD2 4.2Å; Y36-L357 HydrophobicContact CD2-CG 3.62Å; Y36-L357 HydrophobicContact CE2-CD1 3.81Å; Y36-L357 HydrophobicContact CE2-CD2 3.8Å; Y36-L357 HydrophobicContact CE2-CG 3.48Å; Y36-L357 VanDerWaalsContact CE2-CG 3.48Å; Y36-L357 HydrophobicContact CG-CD1 4.2Å
37	R	91.6	Very high	93.4	Very high	87 Å²	87	55 Å²	55	33%	0.328	24%	0.239	S	C	.	.	H	α-helix	trans	-54.6	-42.7	178.1	-73.5	-177.4	-180	-150.2	-2.7	112.2	F33 L40 G41 Q220 E221	F33-R37 PolarHBondContact O-N 3.21Å; R37-L40 PolarHBondContact O-N 3.37Å; R37-G41 PolarHBondContact O-N 2.98Å; R37-Q220 PolarHBondContact NH1-O 3.44Å; R37-E221 PolarHBondContact NE-O 3.17Å; R37-E221 PolarHBondContact NH2-O 2.97Å
38	R	91.7	Very high	93.8	Very high	164 Å²	164	53.1 Å²	53.1	62%	0.619	23%	0.232	S	C	*	.	H	α-helix	trans	-61.1	-47.1	177.2	-173.8	-174.4	-60.6	163.7	1.3	112.5	G34 R35 Y36 G41 R42	G34-R38 PolarHBondContact O-N 2.76Å; G34-R38 VanDerWaalsContact O-N 3.15Å; R35-R38 PolarHBondContact O-N 2.8Å; Y36-R38 VanDerWaalsContact C-N 3.27Å; Y36-R38 PolarHBondContact O-N 3.34Å; R38-G41 PolarHBondContact O-N 2.91Å; R38-R42 PolarHBondContact O-N 2.83Å
39	Y	93.5	Very high	94.1	Very high	32 Å²	32	52 Å²	52	13%	0.125	23%	0.226	C	C	.	.	H	α-helix	trans	-74.1	-34.3	-179.9	-71.3	-55.7	0	0	0	112.6	R35 Y36 G41 R42 L43 L645 V648 L649	R35-Y39 HydrophobicContact CG-CD2 3.67Å; R35-Y39 HydrophobicContact CG-CE2 3.35Å; R35-Y39 WeakPolarHBondContact O-CD2 3.2Å; R35-Y39 PolarHBondContact O-N 2.96Å; R35-Y39 VanDerWaalsContact O-N 3.15Å; Y36-Y39 PolarHBondContact O-N 2.77Å; Y36-Y39 VanDerWaalsContact O-N 3.11Å; Y39-G41 VanDerWaalsContact C-N 3.3Å; Y39-G41 PolarHBondContact O-N 3Å; Y39-R42 WeakPolarHBondContact O-CB 3.22Å; Y39-R42 PolarHBondContact O-N 3.36Å; Y39-R42 VanDerWaalsContact O-N 3.15Å; Y39-L43 PolarHBondContact O-N 3.35Å; Y39-L645 HydrophobicContact CD1-CD1 3.52Å; Y39-L645 HydrophobicContact CE1-CD1 4.35Å; Y39-L645 HydrophobicContact CG-CD1 4.11Å; Y39-V648 HydrophobicContact CE1-CG1 3.82Å; Y39-V648 VanDerWaalsContact OH-CG1 3.24Å; Y39-V648 WeakPolarHBondContact OH-CG1 3.48Å; Y39-L649 HydrophobicContact CD2-CD2 3.78Å; Y39-L649 HydrophobicContact CE2-CD2 4.31Å; Y39-L649 HydrophobicContact CG-CD2 3.99Å
40	L	94.6	Very high	94.2	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-42.7	170.2	-172.4	69.2	0	0	0	110.9	Y36 R37 R42 L43 R44 L357	Y36-L40 HydrophobicContact CE1-CB 4.38Å; Y36-L40 HydrophobicContact CE1-CD2 3.83Å; Y36-L40 WeakPolarHBondContact O-CB 3.39Å; Y36-L40 PolarHBondContact O-N 3.43Å; R37-L40 PolarHBondContact O-N 3.37Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 3.01Å; L40-L43 PolarHBondContact O-N 3.23Å; L40-R44 WeakPolarHBondContact O-CB 3.37Å; L40-R44 PolarHBondContact O-N 2.82Å; L40-L357 HydrophobicContact CB-CD2 4.17Å; L40-L357 HydrophobicContact CD1-CD2 3.84Å
41	G	94.8	Very high	94.3	Very high	33 Å²	33	52.1 Å²	52.1	34%	0.34	22%	0.224	S	C	.	.	H	α-helix	trans	-59.7	-37.6	174.3	0	0	0	0	0	113.2	R37 R38 Y39 Q45	R37-G41 PolarHBondContact O-N 2.98Å; R38-G41 PolarHBondContact O-N 2.91Å; Y39-G41 VanDerWaalsContact C-N 3.3Å; Y39-G41 PolarHBondContact O-N 3Å; G41-Q45 WeakPolarHBondContact O-CB 3.12Å; G41-Q45 PolarHBondContact O-N 2.94Å
42	R	94.6	Very high	94.5	Very high	78 Å²	78	48.2 Å²	48.2	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-68.9	-43.7	174.1	-67.5	-177.8	-178.3	-175.2	-2.7	112.2	R38 Y39 L40 R44 Q45 N46 Y722	R38-R42 PolarHBondContact O-N 2.83Å; Y39-R42 WeakPolarHBondContact O-CB 3.22Å; Y39-R42 PolarHBondContact O-N 3.36Å; Y39-R42 VanDerWaalsContact O-N 3.15Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 3.01Å; R42-R44 VanDerWaalsContact C-N 3.33Å; R42-R44 PolarHBondContact O-N 3.43Å; R42-Q45 PolarHBondContact O-N 3Å; R42-N46 WeakPolarHBondContact O-CB 3.46Å; R42-N46 PolarHBondContact O-N 3.14Å; R42-Y722 VanDerWaalsContact CZ-CD2 3.46Å
43	L	96.3	Very high	94.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-46.1	175.1	-177.4	65.2	0	0	0	111	Y39 L40 Q45 N46 L47 I109 V110 L357 A360 L364 L645	Y39-L43 PolarHBondContact O-N 3.35Å; L40-L43 PolarHBondContact O-N 3.23Å; L43-Q45 VanDerWaalsContact C-N 3.34Å; L43-Q45 PolarHBondContact O-N 3.28Å; L43-N46 PolarHBondContact O-N 3.03Å; L43-L47 WeakPolarHBondContact O-CB 3.48Å; L43-L47 PolarHBondContact O-N 2.91Å; L43-I109 HydrophobicContact CD2-CG2 4.38Å; L43-V110 HydrophobicContact CB-CG1 4.47Å; L43-V110 HydrophobicContact CD2-CG1 3.97Å; L43-V110 HydrophobicContact CG-CG1 3.91Å; L43-L357 HydrophobicContact CD2-CD2 4.25Å; L43-A360 HydrophobicContact CD2-CB 3.55Å; L43-L364 HydrophobicContact CD1-CD2 3.96Å; L43-L645 HydrophobicContact CB-CD2 3.82Å; L43-L645 HydrophobicContact CD1-CD2 4.08Å
44	R	96.9	Very high	94.4	Very high	85 Å²	85	48 Å²	48	32%	0.321	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-41.8	176.2	-169.2	-174.8	-65.9	162.5	-3.4	111.8	L40 R42 R48 V110	L40-R44 WeakPolarHBondContact O-CB 3.37Å; L40-R44 PolarHBondContact O-N 2.82Å; R42-R44 VanDerWaalsContact C-N 3.33Å; R42-R44 PolarHBondContact O-N 3.43Å; R44-R48 VanDerWaalsContact O-CG 3.31Å; R44-R48 WeakPolarHBondContact O-CG 3.16Å; R44-R48 PolarHBondContact O-N 2.7Å; R44-R48 VanDerWaalsContact O-N 3.09Å; R44-V110 HydrophobicContact CB-CB 4.01Å; R44-V110 HydrophobicContact CB-CG1 4.15Å; R44-V110 HydrophobicContact CG-CB 4.06Å; R44-V110 HydrophobicContact CG-CG2 4.22Å; R44-V110 VanDerWaalsContact CZ-O 3.28Å; R44-V110 PolarHBondContact NE-O 3.45Å; R44-V110 PolarHBondContact NH2-O 2.87Å
45	Q	96.4	Very high	94.3	Very high	78 Å²	78	53.6 Å²	53.6	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-63.5	-47.5	175.4	-177.6	57.3	26.4	0	0	111.6	G41 R42 L43 R48 E49	G41-Q45 WeakPolarHBondContact O-CB 3.12Å; G41-Q45 PolarHBondContact O-N 2.94Å; R42-Q45 PolarHBondContact O-N 3Å; L43-Q45 VanDerWaalsContact C-N 3.34Å; L43-Q45 PolarHBondContact O-N 3.28Å; Q45-R48 PolarHBondContact O-N 3.08Å; Q45-E49 PolarHBondContact NE2-OE1 2.94Å; Q45-E49 PolarHBondContact O-N 3.23Å
46	N	96.7	Very high	94.1	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.032	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-47.7	179.5	-166	-35.3	0	0	0	111	R42 L43 R48 E49 T50 L364 H368 L638 E641 S642	R42-N46 WeakPolarHBondContact O-CB 3.46Å; R42-N46 PolarHBondContact O-N 3.14Å; L43-N46 PolarHBondContact O-N 3.03Å; N46-R48 VanDerWaalsContact C-N 3.33Å; N46-R48 PolarHBondContact O-N 3.3Å; N46-E49 PolarHBondContact O-N 2.81Å; N46-E49 VanDerWaalsContact O-N 3.16Å; N46-T50 PolarHBondContact O-N 2.8Å; N46-T50 PolarHBondContact O-OG1 2.78Å; N46-T50 PolarHBondContact OD1-OG1 2.84Å; N46-L364 HydrophobicContact CB-CD2 4.1Å; N46-H368 PolarHBondContact OD1-CE1 2.94Å; N46-L638 PolarHBondContact ND2-O 2.94Å; N46-E641 WeakPolarHBondContact ND2-CB 3.41Å; N46-S642 PolarHBondContact ND2-N 3.46Å
47	L	97.6	Very high	93.7	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-56	-44.4	175.9	-177.6	64.9	0	0	0	112.5	L43 T50 Q51 F98 L106 V110 L364	L43-L47 WeakPolarHBondContact O-CB 3.48Å; L43-L47 PolarHBondContact O-N 2.91Å; L47-T50 WeakPolarHBondContact O-CB 3.27Å; L47-T50 PolarHBondContact O-N 3.24Å; L47-Q51 WeakPolarHBondContact O-CG 3.38Å; L47-Q51 PolarHBondContact O-N 2.97Å; L47-F98 HydrophobicContact CD1-CE1 3.63Å; L47-F98 HydrophobicContact CD1-CZ 3.65Å; L47-L106 HydrophobicContact CD1-CB 3.93Å; L47-L106 HydrophobicContact CD1-CD1 4.09Å; L47-L106 HydrophobicContact CD2-CB 3.95Å; L47-V110 HydrophobicContact CD2-CG1 4.18Å; L47-V110 HydrophobicContact CD2-CG2 3.77Å; L47-L364 HydrophobicContact CD1-CD1 4.22Å
48	R	97.3	Very high	93	Very high	127 Å²	127	53.5 Å²	53.5	48%	0.479	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-42.9	177.9	-76	-174.1	-63.9	-178.5	1.4	112.4	R44 Q45 N46 Q51 K52	R44-R48 VanDerWaalsContact O-CG 3.31Å; R44-R48 WeakPolarHBondContact O-CG 3.16Å; R44-R48 PolarHBondContact O-N 2.7Å; R44-R48 VanDerWaalsContact O-N 3.09Å; Q45-R48 PolarHBondContact O-N 3.08Å; N46-R48 VanDerWaalsContact C-N 3.33Å; N46-R48 PolarHBondContact O-N 3.3Å; R48-Q51 PolarHBondContact O-N 3.43Å; R48-K52 WeakPolarHBondContact O-CB 3.3Å; R48-K52 PolarHBondContact O-N 3.25Å
49	E	96.4	Very high	91.8	Very high	67 Å²	67	49 Å²	49	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-68	-35.4	176.4	-65.7	-55.6	137.4	0	0	111.8	Q45 N46 K52 F53 L638	Q45-E49 PolarHBondContact NE2-OE1 2.94Å; Q45-E49 PolarHBondContact O-N 3.23Å; N46-E49 PolarHBondContact O-N 2.81Å; N46-E49 VanDerWaalsContact O-N 3.16Å; E49-K52 WeakPolarHBondContact O-CB 3.43Å; E49-K52 PolarHBondContact O-N 3.45Å; E49-F53 WeakPolarHBondContact O-CB 3.49Å; E49-F53 PolarHBondContact O-N 2.91Å; E49-L638 HydrophobicContact CB-CD2 3.65Å
50	T	96.4	Very high	90.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-48.3	171.9	-56.2	0	0	0	0	111.9	N46 L47 K52 F53 F54 F98 L364 H368	N46-T50 PolarHBondContact O-N 2.8Å; N46-T50 PolarHBondContact O-OG1 2.78Å; N46-T50 PolarHBondContact OD1-OG1 2.84Å; L47-T50 WeakPolarHBondContact O-CB 3.27Å; L47-T50 PolarHBondContact O-N 3.24Å; T50-K52 VanDerWaalsContact C-N 3.27Å; T50-K52 PolarHBondContact O-N 3.47Å; T50-F53 WeakPolarHBondContact O-CB 3.28Å; T50-F53 PolarHBondContact O-N 3.42Å; T50-F54 HydrophobicContact CG2-CD2 3.89Å; T50-F54 HydrophobicContact CG2-CE2 3.62Å; T50-F54 VanDerWaalsContact O-CD2 3.23Å; T50-F54 WeakPolarHBondContact O-CD2 3.48Å; T50-F54 PolarHBondContact O-N 3.13Å; T50-F54 VanDerWaalsContact O-N 3.09Å; T50-F98 HydrophobicContact CG2-CD1 3.82Å; T50-F98 HydrophobicContact CG2-CE1 3.54Å; T50-F98 HydrophobicContact CG2-CZ 4.36Å; T50-L364 HydrophobicContact CG2-CD1 4.29Å; T50-H368 WeakPolarHBondContact CG2-NE2 3.42Å; T50-H368 PolarHBondContact OG1-CE1 2.88Å; T50-H368 VanDerWaalsContact OG1-CE1 3.31Å; T50-H368 PolarHBondContact OG1-NE2 3.11Å
51	Q	95.2	Very high	88.5	Confident	27 Å²	27	52.5 Å²	52.5	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-39.8	176	-71.1	171.7	-31.7	0	0	111.5	L47 R48 R55 F98 E103	L47-Q51 WeakPolarHBondContact O-CG 3.38Å; L47-Q51 PolarHBondContact O-N 2.97Å; R48-Q51 PolarHBondContact O-N 3.43Å; Q51-R55 WeakPolarHBondContact O-CG 3.42Å; Q51-R55 PolarHBondContact O-N 3.31Å; Q51-R55 VanDerWaalsContact O-N 3.1Å; Q51-F98 HydrophobicContact CG-CD1 4.21Å; Q51-F98 HydrophobicContact CG-CE1 4.22Å; Q51-E103 WeakPolarHBondContact CG-OE1 3.49Å; Q51-E103 PolarHBondContact NE2-OE1 3.15Å
52	K	94.4	Very high	86.3	Confident	94 Å²	94	57.2 Å²	57.2	41%	0.409	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-46.9	174.9	-175.8	-176.5	172	-169.3	0	111.6	R48 E49 T50 F54 R55 D56	R48-K52 WeakPolarHBondContact O-CB 3.3Å; R48-K52 PolarHBondContact O-N 3.25Å; E49-K52 WeakPolarHBondContact O-CB 3.43Å; E49-K52 PolarHBondContact O-N 3.45Å; T50-K52 VanDerWaalsContact C-N 3.27Å; T50-K52 PolarHBondContact O-N 3.47Å; K52-F54 VanDerWaalsContact C-N 3.34Å; K52-F54 PolarHBondContact O-N 2.86Å; K52-R55 WeakPolarHBondContact O-CB 3.38Å; K52-R55 PolarHBondContact O-N 2.78Å; K52-R55 VanDerWaalsContact O-N 3.1Å; K52-D56 VanDerWaalsContact O-CG 3.29Å; K52-D56 PolarHBondContact O-N 3.05Å
53	F	93.2	Very high	83.9	Confident	3 Å²	3	61.5 Å²	61.5	1%	0.013	29%	0.289	C	S	.	.	H	α-helix	trans	-54.2	-47.8	176.7	171.3	-96.7	0	0	0	112.3	E49 T50 R55 D56 I57 F375 H631 R634 L635 L638	E49-F53 WeakPolarHBondContact O-CB 3.49Å; E49-F53 PolarHBondContact O-N 2.91Å; T50-F53 WeakPolarHBondContact O-CB 3.28Å; T50-F53 PolarHBondContact O-N 3.42Å; F53-R55 VanDerWaalsContact C-N 3.35Å; F53-R55 PolarHBondContact O-N 3.02Å; F53-D56 PolarHBondContact O-N 3.03Å; F53-I57 HydrophobicContact CD1-CD1 3.78Å; F53-I57 HydrophobicContact CD2-CD1 4.32Å; F53-I57 HydrophobicContact CE1-CD1 3.22Å; F53-I57 HydrophobicContact CE2-CD1 3.84Å; F53-I57 HydrophobicContact CG-CD1 4.3Å; F53-I57 HydrophobicContact CZ-CD1 3.26Å; F53-I57 HydrophobicContact CZ-CG1 4.38Å; F53-I57 PolarHBondContact O-N 2.92Å; F53-I57 VanDerWaalsContact O-N 3.1Å; F53-F375 HydrophobicContact CE1-CE2 4.16Å; F53-F375 AromaticContact CZ-CE2 3.99Å; F53-F375 HydrophobicContact CZ-CE2 3.99Å; F53-F375 HydrophobicContact CZ-CZ 4.31Å; F53-H631 HydrophobicContact CE2-CB 4.36Å; F53-H631 WeakPolarHBondContact CE2-O 3.15Å; F53-H631 HydrophobicContact CZ-CB 4.3Å; F53-R634 HydrophobicContact CD2-CB 4.29Å; F53-R634 HydrophobicContact CE2-CB 4.13Å; F53-L635 HydrophobicContact CD1-CD1 4.12Å; F53-L635 HydrophobicContact CE1-CB 4.03Å; F53-L635 HydrophobicContact CE1-CD1 3.82Å; F53-L635 HydrophobicContact CE1-CD2 4.1Å; F53-L635 HydrophobicContact CE1-CG 4.2Å; F53-L635 HydrophobicContact CE2-CB 4.18Å; F53-L635 HydrophobicContact CZ-CB 3.66Å; F53-L635 HydrophobicContact CZ-CD1 4.35Å; F53-L635 HydrophobicContact CZ-CD2 4.3Å; F53-L635 HydrophobicContact CZ-CG 4.32Å; F53-L638 HydrophobicContact CB-CD1 4.05Å; F53-L638 HydrophobicContact CG-CD1 4.33Å
54	F	91	Very high	81.2	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-69.1	-29.9	178.1	-74.6	-68	0	0	0	113.5	T50 K52 K58 I96 F98 C371	T50-F54 HydrophobicContact CG2-CD2 3.89Å; T50-F54 HydrophobicContact CG2-CE2 3.62Å; T50-F54 VanDerWaalsContact O-CD2 3.23Å; T50-F54 WeakPolarHBondContact O-CD2 3.48Å; T50-F54 PolarHBondContact O-N 3.13Å; T50-F54 VanDerWaalsContact O-N 3.09Å; K52-F54 VanDerWaalsContact C-N 3.34Å; K52-F54 PolarHBondContact O-N 2.86Å; F54-K58 WeakPolarHBondContact O-CG 3.35Å; F54-K58 PolarHBondContact O-N 2.81Å; F54-I96 HydrophobicContact CE1-CG2 3.9Å; F54-F98 HydrophobicContact CD2-CB 3.79Å; F54-F98 AromaticContact CD2-CD1 3.96Å; F54-F98 HydrophobicContact CD2-CD1 3.96Å; F54-F98 HydrophobicContact CD2-CG 4.19Å; F54-F98 HydrophobicContact CE2-CB 4.13Å; F54-F98 HydrophobicContact CE2-CD1 4.22Å; F54-F98 HydrophobicContact CE2-CG 4.29Å; F54-F98 HydrophobicContact CG-CB 4.24Å; F54-C371 HydrophobicContact CZ-CB 4.17Å
55	R	89.2	Confident	78.1	Confident	134 Å²	134	66.5 Å²	66.5	51%	0.506	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-45.3	170.5	-73.7	-172.3	-61.8	-96.3	0	111.6	Q51 K52 F53 I57 K58 C59	Q51-R55 WeakPolarHBondContact O-CG 3.42Å; Q51-R55 PolarHBondContact O-N 3.31Å; Q51-R55 VanDerWaalsContact O-N 3.1Å; K52-R55 WeakPolarHBondContact O-CB 3.38Å; K52-R55 PolarHBondContact O-N 2.78Å; K52-R55 VanDerWaalsContact O-N 3.1Å; F53-R55 VanDerWaalsContact C-N 3.35Å; F53-R55 PolarHBondContact O-N 3.02Å; R55-I57 VanDerWaalsContact C-N 3.31Å; R55-I57 PolarHBondContact O-N 3.47Å; R55-K58 PolarHBondContact O-N 3.03Å; R55-C59 PolarHBondContact O-N 3.08Å; R55-C59 PolarHBondContact O-SG 2.98Å; R55-C59 VanDerWaalsContact O-SG 3.4Å
56	D	86.7	Confident	75	Confident	54 Å²	54	68.8 Å²	68.8	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-41.1	-179.8	-67.5	-9.1	0	0	0	111.6	K52 F53 C59 S60 R634	K52-D56 VanDerWaalsContact O-CG 3.29Å; K52-D56 PolarHBondContact O-N 3.05Å; F53-D56 PolarHBondContact O-N 3.03Å; D56-C59 PolarHBondContact O-N 3.01Å; D56-S60 WeakPolarHBondContact O-CB 3.22Å; D56-S60 PolarHBondContact O-N 3.39Å; D56-S60 PolarHBondContact O-OG 3.18Å; D56-R634 IonicContact OD2-NH2 3.77Å; D56-R634 PolarHBondContact OD2-NH2 3.36Å
57	I	82.9	Confident	72	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-62.4	-46.6	176.1	-72	162.3	0	0	0	111.1	F53 R55 C59 S60 H61 F375	F53-I57 HydrophobicContact CD1-CD1 3.78Å; F53-I57 HydrophobicContact CD2-CD1 4.32Å; F53-I57 HydrophobicContact CE1-CD1 3.22Å; F53-I57 HydrophobicContact CE2-CD1 3.84Å; F53-I57 HydrophobicContact CG-CD1 4.3Å; F53-I57 HydrophobicContact CZ-CD1 3.26Å; F53-I57 HydrophobicContact CZ-CG1 4.38Å; F53-I57 PolarHBondContact O-N 2.92Å; F53-I57 VanDerWaalsContact O-N 3.1Å; R55-I57 VanDerWaalsContact C-N 3.31Å; R55-I57 PolarHBondContact O-N 3.47Å; I57-C59 PolarHBondContact O-N 3.31Å; I57-S60 PolarHBondContact O-N 2.88Å; I57-H61 PolarHBondContact O-N 3.34Å; I57-H61 PolarHBondContact O-ND1 3.22Å; I57-F375 HydrophobicContact CD1-CE2 4.39Å; I57-F375 HydrophobicContact CD1-CZ 3.75Å
58	K	77.9	Confident	68.8	Low	123 Å²	123	78.4 Å²	78.4	54%	0.535	42%	0.421	S	S	.	.	H	α-helix	trans	-61.6	-44.4	178.7	-72.7	179.4	-179.1	-177.3	0	111.9	F54 R55 S60 H61 N62	F54-K58 WeakPolarHBondContact O-CG 3.35Å; F54-K58 PolarHBondContact O-N 2.81Å; R55-K58 PolarHBondContact O-N 3.03Å; K58-S60 PolarHBondContact O-N 2.8Å; K58-H61 PolarHBondContact O-N 3.49Å; K58-N62 PolarHBondContact O-N 2.97Å
59	C	66.1	Low	65.8	Low	71 Å²	71	78.5 Å²	78.5	48%	0.48	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-37.7	179	-66.7	0	0	0	0	112.9	R55 D56 I57 H61 N62 H63	R55-C59 PolarHBondContact O-N 3.08Å; R55-C59 PolarHBondContact O-SG 2.98Å; R55-C59 VanDerWaalsContact O-SG 3.4Å; D56-C59 PolarHBondContact O-N 3.01Å; I57-C59 PolarHBondContact O-N 3.31Å; C59-H61 PolarHBondContact O-N 2.79Å; C59-N62 PolarHBondContact O-N 3.48Å; C59-H63 PolarHBondContact O-CD2 3.06Å; C59-H63 PolarHBondContact O-N 2.79Å
60	S	61.9	Low	62.7	Low	60 Å²	60	81.7 Å²	81.7	42%	0.42	46%	0.463	S	S	.	.	H	α-helix	trans	-63.1	-24.6	178.6	-60.6	0	0	0	0	113.2	D56 I57 K58 T64	D56-S60 WeakPolarHBondContact O-CB 3.22Å; D56-S60 PolarHBondContact O-N 3.39Å; D56-S60 PolarHBondContact O-OG 3.18Å; I57-S60 PolarHBondContact O-N 2.88Å; K58-S60 PolarHBondContact O-N 2.8Å; S60-T64 PolarHBondContact O-OG1 3.17Å
61	H	57.4	Low	59.7	Low	47 Å²	47	87.2 Å²	87.2	22%	0.218	50%	0.501	C	S	.	.	H	α-helix	trans	-81.9	-34.6	176.8	-74.8	73.8	0	0	0	113	I57 K58 C59 H63 T64 L93	I57-H61 PolarHBondContact O-N 3.34Å; I57-H61 PolarHBondContact O-ND1 3.22Å; K58-H61 PolarHBondContact O-N 3.49Å; C59-H61 PolarHBondContact O-N 2.79Å; H61-H63 VanDerWaalsContact C-N 3.32Å; H61-H63 PolarHBondContact O-N 2.76Å; H61-T64 PolarHBondContact O-OG1 3.42Å; H61-T64 VanDerWaalsContact O-OG1 3.1Å; H61-L93 WeakPolarHBondContact NE2-CB 3.35Å
62	N	48.1	Very low	56.6	Low	133 Å²	133	89.9 Å²	89.9	71%	0.711	54%	0.536	S	S	*	.	H	α-helix	trans	-72.7	-25	-179.1	-74.9	-6.4	0	0	0	113.2	K58 C59	K58-N62 PolarHBondContact O-N 2.97Å; C59-N62 PolarHBondContact O-N 3.48Å
63	H	44.5	Very low	53.5	Low	167 Å²	167	89.3 Å²	89.3	77%	0.773	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-0.6	-180	-72.8	-59.9	0	0	0	115	C59 H61	C59-H63 PolarHBondContact O-CD2 3.06Å; C59-H63 PolarHBondContact O-N 2.79Å; H61-H63 VanDerWaalsContact C-N 3.32Å; H61-H63 PolarHBondContact O-N 2.76Å
64	T	39.8	Very low	50.4	Low	88 Å²	88	93.2 Å²	93.2	54%	0.54	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97	2.7	179.2	24.6	0	0	0	0	114.6	S60 H61 P66	S60-T64 PolarHBondContact O-OG1 3.17Å; H61-T64 PolarHBondContact O-OG1 3.42Å; H61-T64 VanDerWaalsContact O-OG1 3.1Å; T64-P66 WeakPolarHBondContact O-CD 3.43Å
65	C	31	Very low	47.7	Very low	103 Å²	103	97.5 Å²	97.5	70%	0.696	64%	0.635	S	S	*	*	S	Bend	trans	-99.7	107.5	167.8	-72.7	0	0	0	0	109.8	S67	C65-S67 PolarHBondContact O-N 3.1Å
66	P	31.4	Very low	44.9	Very low	127 Å²	127	100.8 Å²	100.8	83%	0.825	66%	0.656	S	S	*	*			trans	-72.7	104.8	171.3	28.6	-28.2	0	0	0	108.1	T64 S68	T64-P66 WeakPolarHBondContact O-CD 3.43Å; P66-S68 PolarHBondContact O-N 3.41Å
67	S	34.4	Very low	42.5	Very low	113 Å²	113	110.5 Å²	110.5	79%	0.79	69%	0.689	S	S	*	*			trans	-63.6	113.1	162.7	51.8	0	0	0	0	108.2	C65	C65-S67 PolarHBondContact O-N 3.1Å
68	S	29.6	Very low	39.8	Very low	96 Å²	96	113.7 Å²	113.7	67%	0.671	72%	0.723	S	S	*	*			trans	-55	141.1	170.5	48.9	0	0	0	0	111	P66 T70	P66-S68 PolarHBondContact O-N 3.41Å; S68-T70 PolarHBondContact O-N 2.06Å
69	P	34	Very low	37.6	Very low	130 Å²	130	114.1 Å²	114.1	84%	0.844	74%	0.738	S	S	*	*			trans	-75.3	111.5	178.4	29.8	-29.9	0	0	0	109.6	S71	P69-S71 PolarHBondContact O-N 3.35Å
70	T	31.8	Very low	36.2	Very low	134 Å²	134	116 Å²	116	82%	0.822	76%	0.759	S	S	*	*			trans	-78.5	114.8	167.5	44	0	0	0	0	109.5	S68	S68-T70 PolarHBondContact O-N 2.06Å
71	S	32.3	Very low	34.5	Very low	115 Å²	115	116.2 Å²	116.2	80%	0.804	77%	0.771	S	S	*	*			trans	-57.6	140	164.4	48.7	0	0	0	0	111.1	P69	P69-S71 PolarHBondContact O-N 3.35Å
72	G	31.4	Very low	33.3	Very low	83 Å²	83	122.5 Å²	122.5	86%	0.856	81%	0.806	S	S	*	*			trans	-72	170.1	-169.9	0	0	0	0	0	117
73	G	28.4	Very low	32.3	Very low	82 Å²	82	122.7 Å²	122.7	85%	0.845	81%	0.812	S	S	*	*			trans	159.3	112.6	164.3	0	0	0	0	0	113.6
74	G	28.5	Very low	31.4	Very low	85 Å²	85	118.7 Å²	118.7	88%	0.876	81%	0.807	S	S	*	*			trans	81.2	124.6	142.6	0	0	0	0	0	119.1
75	A	35.2	Very low	30.7	Very low	99 Å²	99	123.8 Å²	123.8	82%	0.818	83%	0.825	S	S	*	*			trans	-73.6	149.3	175.5	0	0	0	0	0	113.7
76	E	28.9	Very low	30.5	Very low	202 Å²	202	125 Å²	125	94%	0.944	83%	0.83	S	S	*	*			trans	-170.1	139	131.1	-106.9	175.3	-169.4	0	0	111.2
77	R	36.8	Very low	30.3	Very low	258 Å²	258	122.5 Å²	122.5	97%	0.974	83%	0.827	S	S	*	*			trans	-92.4	131.7	176.2	-89.6	179.2	170.9	-175.3	-2.7	109.6
78	G	26.5	Very low	30	Very low	72 Å²	72	125.3 Å²	125.3	74%	0.742	83%	0.832	S	S	*	*			trans	-166	153.9	168.2	0	0	0	0	0	111.6
79	P	31.2	Very low	30.4	Very low	131 Å²	131	129.8 Å²	129.8	85%	0.851	84%	0.843	S	S	*	*			trans	-98	156.1	-136.3	36	-34.2	0	0	0	116.5
80	A	37.3	Very low	30.4	Very low	110 Å²	110	127.6 Å²	127.6	91%	0.909	84%	0.836	S	S	*	*			trans	6.3	110.7	158.6	0	0	0	0	0	117.7
81	G	25.1	Very low	31.3	Very low	66 Å²	66	122.9 Å²	122.9	68%	0.68	81%	0.813	S	S	*	*			trans	-145.6	122.7	159.4	0	0	0	0	0	108.5	V83	G81-V83 PolarHBondContact O-N 2.91Å; G81-V83 VanDerWaalsContact O-N 3.14Å
82	D	33	Very low	32.5	Very low	179 Å²	179	122.5 Å²	122.5	96%	0.957	80%	0.799	S	S	*	*			trans	-49	113.1	174.6	-75.1	-47.1	0	0	0	111
83	V	26.3	Very low	33.8	Very low	136 Å²	136	118.6 Å²	118.6	82%	0.824	76%	0.759	S	S	*	*			trans	-116.4	108.8	164.1	-176.9	0	0	0	0	106.6	G81 E85	G81-V83 PolarHBondContact O-N 2.91Å; G81-V83 VanDerWaalsContact O-N 3.14Å; V83-E85 PolarHBondContact O-N 3.39Å
84	A	26	Very low	35	Very low	83 Å²	83	118.1 Å²	118.1	69%	0.686	74%	0.742	S	S	*	*			trans	-46	123.1	173.4	0	0	0	0	0	110.5	T86	A84-T86 PolarHBondContact O-N 2.65Å
85	E	26.6	Very low	36.4	Very low	195 Å²	195	118.3 Å²	118.3	91%	0.911	73%	0.729	S	S	*	*			trans	-55.3	99.8	166.4	-75.5	-177.9	148	0	0	108.5	V83 G87	V83-E85 PolarHBondContact O-N 3.39Å; E85-G87 PolarHBondContact O-N 3.41Å; E85-G87 VanDerWaalsContact O-N 3.11Å
86	T	25.7	Very low	38.4	Very low	129 Å²	129	114 Å²	114	79%	0.791	69%	0.692	S	S	*	*			trans	-75.1	99	166.4	32.1	0	0	0	0	106.6	A84 L88	A84-T86 PolarHBondContact O-N 2.65Å; T86-L88 PolarHBondContact O-N 2.83Å; T86-L88 VanDerWaalsContact O-N 3.14Å
87	G	26.8	Very low	41	Very low	75 Å²	75	106.7 Å²	106.7	77%	0.773	66%	0.664	S	S	*	*			trans	-53.1	115.3	-177	0	0	0	0	0	112.3	E85	E85-G87 PolarHBondContact O-N 3.41Å; E85-G87 VanDerWaalsContact O-N 3.11Å
88	L	28.3	Very low	43.5	Very low	172 Å²	172	95 Å²	95	90%	0.901	62%	0.62	S	S	*	*			trans	-64.9	140.2	159.3	-82.6	108.4	0	0	0	109.3	T86 A90	T86-L88 PolarHBondContact O-N 2.83Å; T86-L88 VanDerWaalsContact O-N 3.14Å; L88-A90 PolarHBondContact O-N 3.03Å; L88-A90 VanDerWaalsContact O-N 3.15Å
89	Q	37.9	Very low	46.6	Very low	189 Å²	189	93.3 Å²	93.3	88%	0.883	60%	0.596	S	S	*	*			trans	-34	113.4	180	-73.8	175	-17.1	0	0	113.5	G91	Q89-G91 PolarHBondContact O-N 3.01Å; Q89-G91 VanDerWaalsContact O-N 3.08Å
90	A	34.4	Very low	49.5	Very low	85 Å²	85	91.7 Å²	91.7	70%	0.702	59%	0.585	S	S	*	*			trans	-58.7	111.1	159.9	0	0	0	0	0	107.7	L88 S94	L88-A90 PolarHBondContact O-N 3.03Å; L88-A90 VanDerWaalsContact O-N 3.15Å; A90-S94 WeakPolarHBondContact CB-OG 3.38Å
91	G	50.7	Low	52.1	Low	34 Å²	34	94.9 Å²	94.9	35%	0.351	58%	0.579	S	S	.	*			trans	-56.3	151.9	180	0	0	0	0	0	112.1	Q89 L93 S94	Q89-G91 PolarHBondContact O-N 3.01Å; Q89-G91 VanDerWaalsContact O-N 3.08Å; G91-L93 PolarHBondContact O-N 3.44Å; G91-S94 PolarHBondContact N-OG 2.75Å; G91-S94 WeakPolarHBondContact O-CB 3.33Å; G91-S94 PolarHBondContact O-N 3.43Å; G91-S94 PolarHBondContact O-OG 3.41Å
92	Q	56.5	Low	55.4	Low	108 Å²	108	95.4 Å²	95.4	51%	0.505	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.7	-19.4	-175.5	-73.7	172.3	-32	0	0	114.9	Q378 M382 L623	Q92-Q378 PolarHBondContact O-NE2 3.46Å; Q92-M382 HydrophobicContact CB-CE 4.26Å; Q92-M382 VanDerWaalsContact OE1-CE 3.24Å; Q92-L623 HydrophobicContact CB-CD2 4.38Å
93	L	58.8	Low	58.3	Low	1 Å²	1	89.9 Å²	89.9	1%	0.005	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-3.6	174.6	-60.4	-179.9	0	0	0	114.3	H61 G91 C95 I96 F375 L623 V627	H61-L93 WeakPolarHBondContact NE2-CB 3.35Å; G91-L93 PolarHBondContact O-N 3.44Å; L93-C95 PolarHBondContact O-N 2.71Å; L93-C95 VanDerWaalsContact O-N 3.12Å; L93-I96 HydrophobicContact CD2-CD1 3.91Å; L93-I96 PolarHBondContact O-N 3.17Å; L93-I96 VanDerWaalsContact O-N 3.11Å; L93-F375 HydrophobicContact CD1-CE1 4.37Å; L93-F375 HydrophobicContact CD2-CD1 4.04Å; L93-F375 HydrophobicContact CD2-CE1 3.76Å; L93-L623 HydrophobicContact CD1-CD1 3.51Å; L93-L623 HydrophobicContact CD1-CG 4.22Å; L93-L623 HydrophobicContact CG-CD1 4.26Å; L93-L623 HydrophobicContact CG-CD2 4.45Å; L93-V627 HydrophobicContact CD1-CG2 3.91Å; L93-V627 HydrophobicContact CD2-CG2 4.21Å
94	S	55.1	Low	61.5	Low	72 Å²	72	90.2 Å²	90.2	50%	0.503	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.2	-178.7	70.4	0	0	0	0	113.1	A90 G91	A90-S94 WeakPolarHBondContact CB-OG 3.38Å; G91-S94 PolarHBondContact N-OG 2.75Å; G91-S94 WeakPolarHBondContact O-CB 3.33Å; G91-S94 PolarHBondContact O-N 3.43Å; G91-S94 PolarHBondContact O-OG 3.41Å
95	C	58.3	Low	64.7	Low	89 Å²	89	90.2 Å²	90.2	60%	0.601	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.4	175	61.6	0	0	0	0	114.2	L93	L93-C95 PolarHBondContact O-N 2.71Å; L93-C95 VanDerWaalsContact O-N 3.12Å
96	I	76.4	Confident	68	Low	7 Å²	7	81 Å²	81	4%	0.036	46%	0.462	C	S	.	.			trans	-90.3	113.4	-177.4	-45.9	-177.3	0	0	0	109.4	F54 L93 C371 I374 F375	F54-I96 HydrophobicContact CE1-CG2 3.9Å; L93-I96 HydrophobicContact CD2-CD1 3.91Å; L93-I96 PolarHBondContact O-N 3.17Å; L93-I96 VanDerWaalsContact O-N 3.11Å; I96-C371 HydrophobicContact CG2-CB 4.25Å; I96-I374 HydrophobicContact CD1-CB 4.43Å; I96-I374 HydrophobicContact CD1-CG2 3.65Å; I96-I374 HydrophobicContact CG1-CG2 3.94Å; I96-F375 HydrophobicContact CD1-CD1 3.76Å; I96-F375 HydrophobicContact CD1-CD2 4.29Å; I96-F375 HydrophobicContact CD1-CE1 3.53Å; I96-F375 HydrophobicContact CD1-CE2 4.07Å; I96-F375 HydrophobicContact CD1-CG 4.14Å; I96-F375 HydrophobicContact CD1-CZ 3.69Å; I96-F375 HydrophobicContact CG2-CE2 4.27Å; I96-F375 HydrophobicContact CG2-CZ 4.35Å
97	S	83.6	Confident	71.2	Confident	50 Å²	50	77.8 Å²	77.8	35%	0.35	44%	0.438	S	S	.	.			trans	-143.2	160.2	177.6	62.4	0	0	0	0	111	P99	S97-P99 VanDerWaalsContact O-CD 3.23Å; S97-P99 WeakPolarHBondContact O-CD 3.46Å
98	F	90.1	Very high	74.3	Confident	12 Å²	12	79 Å²	79	5%	0.053	42%	0.424	C	S	.	.			trans	-63.7	120.5	168.7	-155.9	143.4	0	0	0	108.1	L47 T50 Q51 F54 P100 E102 E103 L106 L364 V367	L47-F98 HydrophobicContact CD1-CE1 3.63Å; L47-F98 HydrophobicContact CD1-CZ 3.65Å; T50-F98 HydrophobicContact CG2-CD1 3.82Å; T50-F98 HydrophobicContact CG2-CE1 3.54Å; T50-F98 HydrophobicContact CG2-CZ 4.36Å; Q51-F98 HydrophobicContact CG-CD1 4.21Å; Q51-F98 HydrophobicContact CG-CE1 4.22Å; F54-F98 HydrophobicContact CD2-CB 3.79Å; F54-F98 AromaticContact CD2-CD1 3.96Å; F54-F98 HydrophobicContact CD2-CD1 3.96Å; F54-F98 HydrophobicContact CD2-CG 4.19Å; F54-F98 HydrophobicContact CE2-CB 4.13Å; F54-F98 HydrophobicContact CE2-CD1 4.22Å; F54-F98 HydrophobicContact CE2-CG 4.29Å; F54-F98 HydrophobicContact CG-CB 4.24Å; F98-P100 WeakPolarHBondContact O-CD 3.5Å; F98-E102 HydrophobicContact CE2-CB 4.19Å; F98-E103 HydrophobicContact CD1-CG 4.44Å; F98-E103 HydrophobicContact CD2-CB 3.72Å; F98-E103 HydrophobicContact CD2-CG 4.49Å; F98-E103 HydrophobicContact CE2-CB 3.86Å; F98-E103 HydrophobicContact CG-CB 4.11Å; F98-E103 HydrophobicContact CG-CG 4.45Å; F98-E103 HydrophobicContact CZ-CB 4.31Å; F98-L106 HydrophobicContact CE2-CD1 4.28Å; F98-L106 HydrophobicContact CZ-CD1 3.88Å; F98-L364 HydrophobicContact CZ-CD1 4.1Å; F98-V367 HydrophobicContact CD2-CG1 4.19Å; F98-V367 HydrophobicContact CE2-CG1 4.09Å; F98-V367 HydrophobicContact CE2-CG2 4.27Å
99	P	90.4	Very high	77.2	Confident	36 Å²	36	72 Å²	72	23%	0.234	39%	0.386	C	S	.	.			trans	-54.2	121.8	173.3	-29.4	39.7	0	0	0	112.5	S97 K101 E102 E103	S97-P99 VanDerWaalsContact O-CD 3.23Å; S97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-K101 VanDerWaalsContact C-N 3.3Å; P99-K101 PolarHBondContact O-N 3.45Å; P99-E102 HydrophobicContact CB-CB 4.27Å; P99-E102 HydrophobicContact CB-CG 4.31Å; P99-E102 WeakPolarHBondContact CB-OE2 3.47Å; P99-E102 PolarHBondContact O-N 3.34Å; P99-E103 PolarHBondContact O-N 3.25Å
100	P	91.4	Very high	79.7	Confident	98 Å²	98	63 Å²	63	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-63.2	-30	-171.7	-26.6	34.2	0	0	0	115.1	F98 K104	F98-P100 WeakPolarHBondContact O-CD 3.5Å; P100-K104 WeakPolarHBondContact O-CB 3.46Å; P100-K104 PolarHBondContact O-N 2.89Å
101	K	93.3	Very high	82.3	Confident	177 Å²	177	63.4 Å²	63.4	77%	0.77	34%	0.335	S	S	*	.	H	α-helix	trans	-69.5	-47.3	-179.9	-68.1	-178.7	179.1	179.1	0	110.5	P99 K104 Y105	P99-K101 VanDerWaalsContact C-N 3.3Å; P99-K101 PolarHBondContact O-N 3.45Å; K101-K104 PolarHBondContact O-N 3.13Å; K101-Y105 WeakPolarHBondContact O-CB 3.29Å; K101-Y105 PolarHBondContact O-N 3.48Å
102	E	93.9	Very high	84	Confident	77 Å²	77	62.5 Å²	62.5	36%	0.36	32%	0.323	S	S	.	.	H	α-helix	trans	-66.5	-41.1	177.9	-68.6	73.2	-173.3	0	0	110.7	F98 P99 Y105 L106 V367	F98-E102 HydrophobicContact CE2-CB 4.19Å; P99-E102 HydrophobicContact CB-CB 4.27Å; P99-E102 HydrophobicContact CB-CG 4.31Å; P99-E102 WeakPolarHBondContact CB-OE2 3.47Å; P99-E102 PolarHBondContact O-N 3.34Å; E102-Y105 PolarHBondContact O-N 2.95Å; E102-L106 WeakPolarHBondContact O-CB 3.38Å; E102-L106 WeakPolarHBondContact O-CD1 3.13Å; E102-L106 VanDerWaalsContact O-CG 3.23Å; E102-L106 WeakPolarHBondContact O-CG 3.41Å; E102-L106 PolarHBondContact O-N 2.77Å; E102-V367 HydrophobicContact CB-CG2 4.02Å; E102-V367 HydrophobicContact CG-CG2 4.07Å
103	E	94.4	Very high	85.3	Confident	62 Å²	62	60.9 Å²	60.9	29%	0.29	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-50.4	174.5	-175.1	172	-162.9	0	0	111.2	Q51 F98 P99 Y105 L106 Q107	Q51-E103 WeakPolarHBondContact CG-OE1 3.49Å; Q51-E103 PolarHBondContact NE2-OE1 3.15Å; F98-E103 HydrophobicContact CD1-CG 4.44Å; F98-E103 HydrophobicContact CD2-CB 3.72Å; F98-E103 HydrophobicContact CD2-CG 4.49Å; F98-E103 HydrophobicContact CE2-CB 3.86Å; F98-E103 HydrophobicContact CG-CB 4.11Å; F98-E103 HydrophobicContact CG-CG 4.45Å; F98-E103 HydrophobicContact CZ-CB 4.31Å; P99-E103 PolarHBondContact O-N 3.25Å; E103-Y105 PolarHBondContact O-N 3.02Å; E103-L106 PolarHBondContact O-N 3.2Å; E103-Q107 VanDerWaalsContact O-CB 3.26Å; E103-Q107 WeakPolarHBondContact O-CB 3.02Å; E103-Q107 PolarHBondContact O-N 3.46Å
104	K	93.9	Very high	86.8	Confident	143 Å²	143	60.9 Å²	60.9	62%	0.622	32%	0.318	S	S	*	.	H	α-helix	trans	-61.2	-45.2	178.2	-174.6	178.5	179.7	-180	0	111.9	P100 K101 Q107 Q108	P100-K104 WeakPolarHBondContact O-CB 3.46Å; P100-K104 PolarHBondContact O-N 2.89Å; K101-K104 PolarHBondContact O-N 3.13Å; K104-Q107 PolarHBondContact O-N 3.35Å; K104-Q108 VanDerWaalsContact O-CG 3.3Å; K104-Q108 WeakPolarHBondContact O-CG 3.33Å; K104-Q108 PolarHBondContact O-N 3.26Å
105	Y	92.6	Very high	88.6	Confident	83 Å²	83	57.5 Å²	57.5	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-47.2	177.6	167.6	-104.2	0	0	0	112.1	K101 E102 E103 Q108 I109 A363	K101-Y105 WeakPolarHBondContact O-CB 3.29Å; K101-Y105 PolarHBondContact O-N 3.48Å; E102-Y105 PolarHBondContact O-N 2.95Å; E103-Y105 PolarHBondContact O-N 3.02Å; Y105-Q108 PolarHBondContact O-N 3.13Å; Y105-I109 HydrophobicContact CD1-CD1 4.24Å; Y105-I109 HydrophobicContact CD2-CD1 4.26Å; Y105-I109 HydrophobicContact CE1-CD1 3.61Å; Y105-I109 HydrophobicContact CE2-CD1 3.64Å; Y105-I109 HydrophobicContact CE2-CG1 4.45Å; Y105-I109 WeakPolarHBondContact O-CG1 3.39Å; Y105-I109 PolarHBondContact O-N 2.93Å; Y105-I109 WeakPolarHBondContact OH-CD1 3.09Å; Y105-A363 HydrophobicContact CD1-CB 4.47Å; Y105-A363 HydrophobicContact CE1-CB 4.07Å
106	L	94.9	Very high	90.4	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-38.3	179.6	-71	167.6	0	0	0	111.9	L47 F98 E102 E103 I109 V110 A360 A363 L364	L47-L106 HydrophobicContact CD1-CB 3.93Å; L47-L106 HydrophobicContact CD1-CD1 4.09Å; L47-L106 HydrophobicContact CD2-CB 3.95Å; F98-L106 HydrophobicContact CE2-CD1 4.28Å; F98-L106 HydrophobicContact CZ-CD1 3.88Å; E102-L106 WeakPolarHBondContact O-CB 3.38Å; E102-L106 WeakPolarHBondContact O-CD1 3.13Å; E102-L106 VanDerWaalsContact O-CG 3.23Å; E102-L106 WeakPolarHBondContact O-CG 3.41Å; E102-L106 PolarHBondContact O-N 2.77Å; E103-L106 PolarHBondContact O-N 3.2Å; L106-I109 PolarHBondContact O-N 3.26Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 2.91Å; L106-A360 HydrophobicContact CD2-CB 3.99Å; L106-A360 VanDerWaalsContact CD2-O 3.28Å; L106-A360 WeakPolarHBondContact CD2-O 3.41Å; L106-A363 HydrophobicContact CD2-CB 4.25Å; L106-L364 HydrophobicContact CD1-CB 3.93Å; L106-L364 HydrophobicContact CD1-CD1 3.94Å; L106-L364 HydrophobicContact CD2-CB 4.28Å
107	Q	94.4	Very high	91.3	Very high	62 Å²	62	53 Å²	53	29%	0.29	26%	0.264	S	S	.	.	H	α-helix	trans	-60.1	-47.6	176	-169.7	60.7	55.4	0	0	110.8	E103 K104 I109 V110 D111	E103-Q107 VanDerWaalsContact O-CB 3.26Å; E103-Q107 WeakPolarHBondContact O-CB 3.02Å; E103-Q107 PolarHBondContact O-N 3.46Å; K104-Q107 PolarHBondContact O-N 3.35Å; Q107-I109 VanDerWaalsContact C-N 3.33Å; Q107-I109 PolarHBondContact O-N 3.05Å; Q107-V110 VanDerWaalsContact O-CG2 3.27Å; Q107-V110 WeakPolarHBondContact O-CG2 3.42Å; Q107-V110 PolarHBondContact O-N 2.99Å; Q107-D111 VanDerWaalsContact NE2-CG 3.3Å; Q107-D111 PolarHBondContact NE2-OD1 2.85Å; Q107-D111 VanDerWaalsContact NE2-OD1 3.14Å; Q107-D111 PolarHBondContact NE2-OD2 3.38Å; Q107-D111 WeakPolarHBondContact O-CB 3.12Å; Q107-D111 VanDerWaalsContact O-CG 3.24Å; Q107-D111 PolarHBondContact O-N 2.92Å; Q107-D111 VanDerWaalsContact O-N 3.12Å
108	Q	90.3	Very high	91.9	Very high	100 Å²	100	50.6 Å²	50.6	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-54.9	-47.6	174.5	-73.5	173.5	-28.5	0	0	111.6	K104 Y105 V110 D111 C112	K104-Q108 VanDerWaalsContact O-CG 3.3Å; K104-Q108 WeakPolarHBondContact O-CG 3.33Å; K104-Q108 PolarHBondContact O-N 3.26Å; Y105-Q108 PolarHBondContact O-N 3.13Å; Q108-V110 PolarHBondContact O-N 2.91Å; Q108-D111 PolarHBondContact O-N 3.12Å; Q108-C112 PolarHBondContact O-N 3.32Å; Q108-C112 VanDerWaalsContact O-N 3.11Å; Q108-C112 PolarHBondContact O-SG 2.92Å
109	I	89.3	Confident	92.1	Very high	24 Å²	24	50.1 Å²	50.1	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-42.3	-178.9	-68.3	176.3	0	0	0	112.7	L43 Y105 L106 Q107 D111 A360	L43-I109 HydrophobicContact CD2-CG2 4.38Å; Y105-I109 HydrophobicContact CD1-CD1 4.24Å; Y105-I109 HydrophobicContact CD2-CD1 4.26Å; Y105-I109 HydrophobicContact CE1-CD1 3.61Å; Y105-I109 HydrophobicContact CE2-CD1 3.64Å; Y105-I109 HydrophobicContact CE2-CG1 4.45Å; Y105-I109 WeakPolarHBondContact O-CG1 3.39Å; Y105-I109 PolarHBondContact O-N 2.93Å; Y105-I109 WeakPolarHBondContact OH-CD1 3.09Å; L106-I109 PolarHBondContact O-N 3.26Å; Q107-I109 VanDerWaalsContact C-N 3.33Å; Q107-I109 PolarHBondContact O-N 3.05Å; I109-D111 VanDerWaalsContact C-N 3.25Å; I109-D111 PolarHBondContact O-N 3.17Å; I109-A360 HydrophobicContact CD1-CB 3.79Å; I109-A360 HydrophobicContact CG2-CB 3.92Å
110	V	91.6	Very high	92.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-74.3	-18.3	-177.8	-61.1	0	0	0	0	113	L43 R44 L47 L106 Q107 Q108	L43-V110 HydrophobicContact CB-CG1 4.47Å; L43-V110 HydrophobicContact CD2-CG1 3.97Å; L43-V110 HydrophobicContact CG-CG1 3.91Å; R44-V110 HydrophobicContact CB-CB 4.01Å; R44-V110 HydrophobicContact CB-CG1 4.15Å; R44-V110 HydrophobicContact CG-CB 4.06Å; R44-V110 HydrophobicContact CG-CG2 4.22Å; R44-V110 VanDerWaalsContact CZ-O 3.28Å; R44-V110 PolarHBondContact NE-O 3.45Å; R44-V110 PolarHBondContact NH2-O 2.87Å; L47-V110 HydrophobicContact CD2-CG1 4.18Å; L47-V110 HydrophobicContact CD2-CG2 3.77Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 2.91Å; Q107-V110 VanDerWaalsContact O-CG2 3.27Å; Q107-V110 WeakPolarHBondContact O-CG2 3.42Å; Q107-V110 PolarHBondContact O-N 2.99Å; Q108-V110 PolarHBondContact O-N 2.91Å
111	D	89.2	Confident	91.8	Very high	93 Å²	93	44.3 Å²	44.3	50%	0.497	21%	0.208	S	C	.	.	H	α-helix	trans	-89.5	-28.2	178.4	-66.7	-22.1	0	0	0	112.1	Q107 Q108 I109	Q107-D111 VanDerWaalsContact NE2-CG 3.3Å; Q107-D111 PolarHBondContact NE2-OD1 2.85Å; Q107-D111 VanDerWaalsContact NE2-OD1 3.14Å; Q107-D111 PolarHBondContact NE2-OD2 3.38Å; Q107-D111 WeakPolarHBondContact O-CB 3.12Å; Q107-D111 VanDerWaalsContact O-CG 3.24Å; Q107-D111 PolarHBondContact O-N 2.92Å; Q107-D111 VanDerWaalsContact O-N 3.12Å; Q108-D111 PolarHBondContact O-N 3.12Å; I109-D111 VanDerWaalsContact C-N 3.25Å; I109-D111 PolarHBondContact O-N 3.17Å
112	C	85.5	Confident	91.3	Very high	16 Å²	16	36.9 Å²	36.9	11%	0.108	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-72.7	127.1	177.1	-61.9	0	0	0	0	113.1	Q108 N244 D245	Q108-C112 PolarHBondContact O-N 3.32Å; Q108-C112 VanDerWaalsContact O-N 3.11Å; Q108-C112 PolarHBondContact O-SG 2.92Å; C112-N244 PolarHBondContact SG-O 3.42Å; C112-D245 WeakPolarHBondContact CA-O 3.19Å
113	L	83.8	Confident	90.9	Very high	73 Å²	73	33.9 Å²	33.9	38%	0.382	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	150.8	169.5	-70.6	177	0	0	0	110.9	F246 L247	L113-F246 CarbonylContact O-C 3.6Å; L113-F246 WeakPolarHBondContact O-CA 3.22Å; L113-L247 PolarHBondContact O-N 3.23Å
114	P	91.1	Very high	90.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.013	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	146.8	179	33.4	-33.1	0	0	0	110.5	F33 Y36 V222 L247 L353	F33-P114 HydrophobicContact CD1-CB 3.88Å; F33-P114 HydrophobicContact CD1-CG 3.79Å; F33-P114 HydrophobicContact CE1-CB 3.85Å; F33-P114 HydrophobicContact CE1-CG 4.27Å; Y36-P114 HydrophobicContact CD1-CB 4.31Å; Y36-P114 HydrophobicContact CD1-CG 3.8Å; Y36-P114 HydrophobicContact CE1-CB 4.14Å; Y36-P114 HydrophobicContact CE1-CG 3.87Å; P114-V222 WeakPolarHBondContact O-CG2 3.28Å; P114-L247 WeakPolarHBondContact CA-O 3.35Å; P114-L353 HydrophobicContact CB-CD2 3.68Å
115	C	93.3	Very high	90.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.6	169.4	73.2	0	0	0	0	110.5	D223 F246 L247 V249	C115-D223 CarbonylContact C-O 3.59Å; C115-D223 WeakPolarHBondContact CA-O 3.43Å; C115-D223 HydrophobicContact CB-CB 4.45Å; C115-F246 HydrophobicContact CB-CB 4.18Å; C115-F246 HydrophobicContact CB-CD1 4.13Å; C115-F246 HydrophobicContact CB-CG 4.3Å; C115-L247 PolarHBondContact N-O 3.17Å; C115-V249 PolarHBondContact O-N 3.22Å
116	I	95.6	Very high	90.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.4	167.2	-62.6	173.1	0	0	0	107.2	F33 I118 L133 L218 V222 D223 V224 V225	F33-I116 HydrophobicContact CE2-CD1 3.96Å; F33-I116 HydrophobicContact CE2-CG1 4.26Å; F33-I116 HydrophobicContact CZ-CD1 3.99Å; F33-I116 HydrophobicContact CZ-CG1 3.76Å; I116-I118 HydrophobicContact CG2-CG1 4.36Å; I116-L133 HydrophobicContact CD1-CD1 4.49Å; I116-L133 HydrophobicContact CD1-CD2 4.05Å; I116-L133 HydrophobicContact CG2-CD2 4.08Å; I116-L218 HydrophobicContact CD1-CD2 4.42Å; I116-V222 HydrophobicContact CD1-CG1 3.92Å; I116-V222 HydrophobicContact CG1-CG1 4.29Å; I116-V222 HydrophobicContact CG1-CG2 4.06Å; I116-D223 PolarHBondContact N-O 3.34Å; I116-V224 HydrophobicContact CB-CG1 4.3Å; I116-V224 HydrophobicContact CB-CG2 4.29Å; I116-V224 HydrophobicContact CD1-CG2 4.47Å; I116-V224 HydrophobicContact CG2-CG1 4.36Å; I116-V224 CarbonylContact O-C 3.53Å; I116-V224 WeakPolarHBondContact O-CA 3.41Å; I116-V225 PolarHBondContact O-N 3.25Å
117	L	95.1	Very high	90	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.4	177.4	177.7	62.6	0	0	0	109.7	L119 V225 A227 L239 L242 P248 V249 T251	L117-L119 HydrophobicContact CD1-CD2 4.33Å; L117-L119 HydrophobicContact CD2-CD2 4.12Å; L117-L119 HydrophobicContact CD2-CG 4.46Å; L117-L119 HydrophobicContact CG-CD2 4.03Å; L117-L119 HydrophobicContact CG-CG 4.31Å; L117-V225 CarbonylContact C-O 3.55Å; L117-V225 WeakPolarHBondContact CA-O 3.44Å; L117-V225 HydrophobicContact CD1-CB 4.03Å; L117-V225 HydrophobicContact CD1-CG1 3.9Å; L117-A227 HydrophobicContact CD1-CB 4.45Å; L117-L239 HydrophobicContact CD2-CD2 3.29Å; L117-L239 HydrophobicContact CD2-CG 4.12Å; L117-L242 HydrophobicContact CD1-CD1 3.73Å; L117-L242 HydrophobicContact CD2-CD1 4Å; L117-L242 HydrophobicContact CG-CD1 4.43Å; L117-P248 HydrophobicContact CB-CB 4.21Å; L117-P248 HydrophobicContact CD2-CB 4.47Å; L117-V249 PolarHBondContact N-O 3.45Å; L117-T251 PolarHBondContact O-N 3.48Å
118	I	95.5	Very high	89.8	Confident	1 Å²	1	21 Å²	21	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.7	178	-61.6	174.6	0	0	0	109.4	I116 K126 L129 L130 L133 V224 V225 V226 A227	I116-I118 HydrophobicContact CG2-CG1 4.36Å; I118-K126 HydrophobicContact CG2-CB 4.04Å; I118-K126 HydrophobicContact CG2-CG 4.06Å; I118-L129 HydrophobicContact CD1-CG 4.42Å; I118-L129 HydrophobicContact CG1-CD2 4.39Å; I118-L129 HydrophobicContact CG2-CD2 3.97Å; I118-L130 HydrophobicContact CD1-CB 4.02Å; I118-L130 HydrophobicContact CD1-CD1 3.91Å; I118-L133 HydrophobicContact CD1-CD2 4.35Å; I118-V224 HydrophobicContact CD1-CG1 3.87Å; I118-V224 HydrophobicContact CG1-CG1 4.38Å; I118-V225 PolarHBondContact N-O 3.04Å; I118-V226 HydrophobicContact CB-CG2 4.39Å; I118-V226 HydrophobicContact CD1-CG2 4.34Å; I118-A227 PolarHBondContact O-N 3.27Å
119	L	93.5	Very high	89.9	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	172.1	167.6	-53.5	-177.3	0	0	0	109.1	L117 A227 T235 I250 T251 Y252 A253 I270	L117-L119 HydrophobicContact CD1-CD2 4.33Å; L117-L119 HydrophobicContact CD2-CD2 4.12Å; L117-L119 HydrophobicContact CD2-CG 4.46Å; L117-L119 HydrophobicContact CG-CD2 4.03Å; L117-L119 HydrophobicContact CG-CG 4.31Å; L119-A227 HydrophobicContact CD2-CB 3.4Å; L119-A227 VanDerWaalsContact CD2-CB 3.4Å; L119-T235 HydrophobicContact CD1-CG2 3.81Å; L119-T235 HydrophobicContact CD2-CG2 3.62Å; L119-T235 HydrophobicContact CG-CG2 4.33Å; L119-I250 HydrophobicContact CD1-CG2 3.62Å; L119-I250 HydrophobicContact CG-CG2 4.14Å; L119-T251 PolarHBondContact N-O 2.95Å; L119-Y252 HydrophobicContact CB-CD2 3.56Å; L119-Y252 HydrophobicContact CB-CE2 4.02Å; L119-Y252 HydrophobicContact CB-CG 4.33Å; L119-Y252 HydrophobicContact CD1-CD2 4.28Å; L119-Y252 WeakPolarHBondContact O-CA 3.44Å; L119-A253 WeakPolarHBondContact O-CB 3.38Å; L119-A253 PolarHBondContact O-N 2.93Å; L119-I270 HydrophobicContact CD1-CD1 3.71Å
120	G	90.9	Very high	90.1	Very high	3 Å²	3	15.2 Å²	15.2	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.4	169.5	174.2	0	0	0	0	0	114.1	D122 A253	G120-D122 VanDerWaalsContact C-N 3.34Å; G120-D122 PolarHBondContact O-N 2.91Å; G120-A253 WeakPolarHBondContact CA-O 3.34Å
121	Q	86.4	Confident	90.1	Very high	9 Å²	9	15.9 Å²	15.9	4%	0.042	9%	0.086	C	C	.	.	S	Bend	trans	-60.2	-42.1	-174.7	-57.6	-175.4	-72	0	0	112.3	Y252 A253 L254 K256 E258 D263	Q121-Y252 HydrophobicContact CG-CE1 4.14Å; Q121-A253 PolarHBondContact N-O 3.2Å; Q121-A253 VanDerWaalsContact N-O 3.17Å; Q121-L254 HydrophobicContact CG-CD2 3.84Å; Q121-K256 VanDerWaalsContact OE1-N 3.14Å; Q121-E258 PolarHBondContact NE2-O 3.47Å; Q121-D263 PolarHBondContact NE2-OD2 2.99Å
122	D	82.1	Confident	90.2	Very high	20 Å²	20	15.4 Å²	15.4	11%	0.107	8%	0.083	C	C	.	.	S	Bend	trans	-139.9	158.8	-174.3	67	94	0	0	0	112.7	G120 N124 V125 K126 E147 H255	G120-D122 VanDerWaalsContact C-N 3.34Å; G120-D122 PolarHBondContact O-N 2.91Å; D122-N124 VanDerWaalsContact C-N 3.32Å; D122-N124 PolarHBondContact O-N 2.98Å; D122-N124 WeakPolarHBondContact OD1-CA 3.43Å; D122-N124 WeakPolarHBondContact OD1-CB 3.46Å; D122-N124 PolarHBondContact OD1-N 2.9Å; D122-N124 VanDerWaalsContact OD1-N 3.08Å; D122-V125 VanDerWaalsContact CG-CG2 3.48Å; D122-V125 WeakPolarHBondContact OD1-CB 3.33Å; D122-V125 WeakPolarHBondContact OD1-CG2 3.4Å; D122-V125 PolarHBondContact OD1-N 3.5Å; D122-V125 WeakPolarHBondContact OD2-CB 3.47Å; D122-V125 WeakPolarHBondContact OD2-CG2 3.33Å; D122-K126 WeakPolarHBondContact O-CG 3.45Å; D122-K126 PolarHBondContact O-N 3.16Å; D122-E147 HydrophobicContact CB-CG 4.27Å; D122-H255 IonicContact OD2-CE1 3.78Å; D122-H255 PolarHBondContact OD2-CE1 2.64Å; D122-H255 IonicContact OD2-CG 2.96Å; D122-H255 IonicContact OD2-ND1 2.97Å; D122-H255 PolarHBondContact OD2-ND1 2.97Å
123	C	85.3	Confident	90.5	Very high	14 Å²	14	14.7 Å²	14.7	10%	0.095	8%	0.078	C	C	.	.	H	α-helix	trans	-59.4	-42.7	-179.7	-47.9	0	0	0	0	112.5	V125 K126 C127 L144 C150 L152 C229	C123-V125 PolarHBondContact O-N 2.81Å; C123-K126 PolarHBondContact O-N 3.48Å; C123-C127 PolarHBondContact O-N 2.86Å; C123-C127 PolarHBondContact O-SG 2.96Å; C123-L144 HydrophobicContact CB-CB 4.46Å; C123-L144 HydrophobicContact CB-CD2 3.6Å; C123-C150 HydrophobicContact CB-CB 4.31Å; C123-C150 WeakPolarHBondContact CB-SG 3.21Å; C123-C150 WeakPolarHBondContact SG-CB 3.36Å; C123-C150 CovalentContact SG-SG 2.06Å; C123-C150 PolarHBondContact SG-SG 3.2Å; C123-L152 HydrophobicContact CB-CB 4.33Å; C123-L152 HydrophobicContact CB-CD2 4.08Å; C123-C229 PolarHBondContact SG-SG 2.81Å
124	N	85.6	Confident	90.9	Very high	41 Å²	41	11.3 Å²	11.3	22%	0.219	6%	0.061	C	C	.	.	H	α-helix	trans	-66.3	-42.1	-173.5	-170.8	6.8	0	0	0	110.4	D122 C127 Q128 T141	D122-N124 VanDerWaalsContact C-N 3.32Å; D122-N124 PolarHBondContact O-N 2.98Å; D122-N124 WeakPolarHBondContact OD1-CA 3.43Å; D122-N124 WeakPolarHBondContact OD1-CB 3.46Å; D122-N124 PolarHBondContact OD1-N 2.9Å; D122-N124 VanDerWaalsContact OD1-N 3.08Å; N124-C127 WeakPolarHBondContact O-CB 3.46Å; N124-C127 PolarHBondContact O-N 2.83Å; N124-Q128 VanDerWaalsContact CG-NE2 3.32Å; N124-Q128 PolarHBondContact ND2-NE2 3.31Å; N124-Q128 WeakPolarHBondContact O-CB 3.37Å; N124-Q128 VanDerWaalsContact O-CG 3.22Å; N124-Q128 WeakPolarHBondContact O-CG 3.15Å; N124-Q128 PolarHBondContact O-N 2.96Å; N124-Q128 PolarHBondContact OD1-NE2 3.41Å; N124-T141 PolarHBondContact ND2-O 2.92Å; N124-T141 WeakPolarHBondContact OD1-CA 3.43Å; N124-T141 PolarHBondContact OD1-O 2.79Å
125	V	88.2	Confident	90.8	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.03	9%	0.086	C	C	.	.	H	α-helix	trans	-70.2	-34.5	179.2	171.1	0	0	0	0	111.9	D122 C123 Q128 L129 A253 H255 V283	D122-V125 VanDerWaalsContact CG-CG2 3.48Å; D122-V125 WeakPolarHBondContact OD1-CB 3.33Å; D122-V125 WeakPolarHBondContact OD1-CG2 3.4Å; D122-V125 PolarHBondContact OD1-N 3.5Å; D122-V125 WeakPolarHBondContact OD2-CB 3.47Å; D122-V125 WeakPolarHBondContact OD2-CG2 3.33Å; C123-V125 PolarHBondContact O-N 2.81Å; V125-Q128 PolarHBondContact O-N 3.22Å; V125-L129 WeakPolarHBondContact O-CB 3.2Å; V125-L129 PolarHBondContact O-N 3.35Å; V125-A253 HydrophobicContact CG1-CB 3.58Å; V125-H255 HydrophobicContact CG1-CB 4.5Å; V125-H255 HydrophobicContact CG2-CB 3.58Å; V125-V283 HydrophobicContact CG1-CB 4.09Å; V125-V283 HydrophobicContact CG1-CG2 3.74Å
126	K	91.6	Very high	90.6	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.03	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-47.4	168.2	-71.2	-175.7	-68.4	179.8	0	111.5	I118 D122 C123 L129 L130 V226 A227 P228	I118-K126 HydrophobicContact CG2-CB 4.04Å; I118-K126 HydrophobicContact CG2-CG 4.06Å; D122-K126 WeakPolarHBondContact O-CG 3.45Å; D122-K126 PolarHBondContact O-N 3.16Å; C123-K126 PolarHBondContact O-N 3.48Å; K126-L129 PolarHBondContact O-N 3.46Å; K126-L130 PolarHBondContact O-N 2.79Å; K126-V226 HydrophobicContact CB-CG1 3.89Å; K126-V226 HydrophobicContact CD-CG1 4.26Å; K126-A227 PolarHBondContact NZ-O 3.29Å; K126-P228 PolarHBondContact NZ-O 3.05Å
127	C	91.1	Very high	90.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-43.5	176.9	-66.7	0	0	0	0	112.3	C123 N124 L130 N131 L139	C123-C127 PolarHBondContact O-N 2.86Å; C123-C127 PolarHBondContact O-SG 2.96Å; N124-C127 WeakPolarHBondContact O-CB 3.46Å; N124-C127 PolarHBondContact O-N 2.83Å; C127-L130 PolarHBondContact O-N 3.48Å; C127-N131 PolarHBondContact O-N 3.43Å; C127-L139 HydrophobicContact CB-CB 3.92Å; C127-L139 HydrophobicContact CB-CD1 3.96Å
128	Q	90.3	Very high	90.2	Very high	29 Å²	29	23.2 Å²	23.2	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-61.5	-44.4	176.6	-73.9	171.2	18.8	0	0	111.4	N124 V125 L130 N131 L132 T141 V283	N124-Q128 VanDerWaalsContact CG-NE2 3.32Å; N124-Q128 PolarHBondContact ND2-NE2 3.31Å; N124-Q128 WeakPolarHBondContact O-CB 3.37Å; N124-Q128 VanDerWaalsContact O-CG 3.22Å; N124-Q128 WeakPolarHBondContact O-CG 3.15Å; N124-Q128 PolarHBondContact O-N 2.96Å; N124-Q128 PolarHBondContact OD1-NE2 3.41Å; V125-Q128 PolarHBondContact O-N 3.22Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.17Å; Q128-N131 PolarHBondContact O-N 3.08Å; Q128-L132 WeakPolarHBondContact O-CB 3.34Å; Q128-L132 VanDerWaalsContact O-CG 3.28Å; Q128-L132 WeakPolarHBondContact O-CG 3.49Å; Q128-L132 PolarHBondContact O-N 3.16Å; Q128-T141 HydrophobicContact CG-CG2 3.65Å; Q128-V283 HydrophobicContact CB-CG1 3.93Å; Q128-V283 VanDerWaalsContact OE1-CG1 3.25Å
129	L	92.3	Very high	90	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-41	176.3	178.3	60.6	0	0	0	111.9	I118 V125 K126 L132 L133 T251 A253 F281 V283 L342	I118-L129 HydrophobicContact CD1-CG 4.42Å; I118-L129 HydrophobicContact CG1-CD2 4.39Å; I118-L129 HydrophobicContact CG2-CD2 3.97Å; V125-L129 WeakPolarHBondContact O-CB 3.2Å; V125-L129 PolarHBondContact O-N 3.35Å; K126-L129 PolarHBondContact O-N 3.46Å; L129-L132 PolarHBondContact O-N 3Å; L129-L133 WeakPolarHBondContact O-CB 3.35Å; L129-L133 PolarHBondContact O-N 2.94Å; L129-T251 HydrophobicContact CD2-CG2 3.49Å; L129-T251 VanDerWaalsContact CD2-CG2 3.49Å; L129-A253 HydrophobicContact CB-CB 4.13Å; L129-A253 HydrophobicContact CD2-CB 3.66Å; L129-F281 HydrophobicContact CD1-CD1 3.69Å; L129-F281 HydrophobicContact CD1-CE1 4.1Å; L129-F281 HydrophobicContact CD1-CG 4.43Å; L129-V283 HydrophobicContact CB-CG2 4.31Å; L129-L342 HydrophobicContact CD1-CD1 3.93Å
130	L	94.1	Very high	89.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-48	175.1	-177.9	73.7	0	0	0	111.3	I118 K126 C127 Q128 L132 L133 L134 L139 F157 V224 V226	I118-L130 HydrophobicContact CD1-CB 4.02Å; I118-L130 HydrophobicContact CD1-CD1 3.91Å; K126-L130 PolarHBondContact O-N 2.79Å; C127-L130 PolarHBondContact O-N 3.48Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.17Å; L130-L132 VanDerWaalsContact C-N 3.29Å; L130-L132 PolarHBondContact O-N 3.16Å; L130-L133 WeakPolarHBondContact O-CB 3.49Å; L130-L133 PolarHBondContact O-N 2.69Å; L130-L133 VanDerWaalsContact O-N 3.12Å; L130-L134 HydrophobicContact CD1-CD1 4.09Å; L130-L134 HydrophobicContact CD1-CG 4.25Å; L130-L134 HydrophobicContact CD2-CD1 4.4Å; L130-L134 HydrophobicContact CG-CD1 4Å; L130-L134 HydrophobicContact CG-CG 4.39Å; L130-L134 WeakPolarHBondContact O-CG 3.47Å; L130-L134 PolarHBondContact O-N 2.93Å; L130-L139 HydrophobicContact CB-CD1 4.39Å; L130-L139 HydrophobicContact CD2-CD1 3.36Å; L130-L139 HydrophobicContact CD2-CG 3.94Å; L130-L139 HydrophobicContact CG-CD1 4.46Å; L130-F157 HydrophobicContact CD1-CD2 4.46Å; L130-F157 HydrophobicContact CD2-CD2 3.8Å; L130-F157 HydrophobicContact CD2-CE1 4.1Å; L130-F157 HydrophobicContact CD2-CE2 3.31Å; L130-F157 HydrophobicContact CD2-CG 4.4Å; L130-F157 HydrophobicContact CD2-CZ 3.48Å; L130-F157 VanDerWaalsContact CD2-CZ 3.48Å; L130-V224 HydrophobicContact CD1-CB 4.15Å; L130-V224 HydrophobicContact CD1-CG1 3.43Å; L130-V224 VanDerWaalsContact CD1-CG1 3.43Å; L130-V226 HydrophobicContact CB-CG2 4.41Å; L130-V226 HydrophobicContact CD1-CG2 4.3Å; L130-V226 HydrophobicContact CD2-CG2 4.11Å
131	N	92.6	Very high	88.9	Confident	15 Å²	15	24.1 Å²	24.1	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-41	177.9	-72.1	-22.2	0	0	0	111.5	C127 Q128 G135 V136 V138 L139 T141	C127-N131 PolarHBondContact O-N 3.43Å; Q128-N131 PolarHBondContact O-N 3.08Å; N131-G135 WeakPolarHBondContact O-CA 3.48Å; N131-G135 PolarHBondContact O-N 3.15Å; N131-V136 WeakPolarHBondContact CA-O 3.28Å; N131-V136 PolarHBondContact O-N 3.08Å; N131-V136 PolarHBondContact OD1-O 3.4Å; N131-V138 PolarHBondContact OD1-N 3.46Å; N131-L139 PolarHBondContact ND2-O 2.53Å; N131-L139 PolarHBondContact OD1-N 3.01Å; N131-T141 VanDerWaalsContact ND2-CG2 3.35Å; N131-T141 WeakPolarHBondContact ND2-CG2 3.35Å
132	L	90.9	Very high	87.8	Confident	82 Å²	82	29.2 Å²	29.2	43%	0.429	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-39.3	174.5	-72	171.4	0	0	0	112.5	Q128 L129 L130 G135 F281 V283 L342	Q128-L132 WeakPolarHBondContact O-CB 3.34Å; Q128-L132 VanDerWaalsContact O-CG 3.28Å; Q128-L132 WeakPolarHBondContact O-CG 3.49Å; Q128-L132 PolarHBondContact O-N 3.16Å; L129-L132 PolarHBondContact O-N 3Å; L130-L132 VanDerWaalsContact C-N 3.29Å; L130-L132 PolarHBondContact O-N 3.16Å; L132-G135 PolarHBondContact O-N 2.92Å; L132-F281 HydrophobicContact CD1-CE1 4.29Å; L132-V283 HydrophobicContact CD1-CG1 4.07Å; L132-L342 HydrophobicContact CB-CD2 3.96Å
133	L	91.6	Very high	86.8	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-42.8	179.3	-179.8	66.2	0	0	0	111.9	M25 L29 I116 I118 L129 L130 L218 V224 L345	M25-L133 HydrophobicContact CE-CD1 4.3Å; L29-L133 HydrophobicContact CD1-CD1 3.78Å; I116-L133 HydrophobicContact CD1-CD1 4.49Å; I116-L133 HydrophobicContact CD1-CD2 4.05Å; I116-L133 HydrophobicContact CG2-CD2 4.08Å; I118-L133 HydrophobicContact CD1-CD2 4.35Å; L129-L133 WeakPolarHBondContact O-CB 3.35Å; L129-L133 PolarHBondContact O-N 2.94Å; L130-L133 WeakPolarHBondContact O-CB 3.49Å; L130-L133 PolarHBondContact O-N 2.69Å; L130-L133 VanDerWaalsContact O-N 3.12Å; L133-L218 HydrophobicContact CD1-CD2 4.05Å; L133-L218 HydrophobicContact CD2-CD2 4.33Å; L133-L218 HydrophobicContact CG-CD2 3.9Å; L133-V224 HydrophobicContact CD2-CG1 4.03Å; L133-V224 HydrophobicContact CD2-CG2 4.12Å; L133-L345 HydrophobicContact CD1-CD2 3.66Å
134	L	91.8	Very high	85.4	Confident	2 Å²	2	36 Å²	36	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-80.3	-18.4	178	-60.9	179.6	0	0	0	112.4	L130 V136 V138 F157 M214 H216 L219	L130-L134 HydrophobicContact CD1-CD1 4.09Å; L130-L134 HydrophobicContact CD1-CG 4.25Å; L130-L134 HydrophobicContact CD2-CD1 4.4Å; L130-L134 HydrophobicContact CG-CD1 4Å; L130-L134 HydrophobicContact CG-CG 4.39Å; L130-L134 WeakPolarHBondContact O-CG 3.47Å; L130-L134 PolarHBondContact O-N 2.93Å; L134-V136 HydrophobicContact CB-CG2 3.6Å; L134-V136 PolarHBondContact O-N 3.26Å; L134-V138 HydrophobicContact CD1-CG2 4.46Å; L134-F157 HydrophobicContact CD1-CD1 4.32Å; L134-M214 HydrophobicContact CD1-SD 4.42Å; L134-H216 PolarHBondContact O-NE2 2.81Å; L134-L219 HydrophobicContact CD2-CD2 4.28Å; L134-L219 HydrophobicContact CD2-CG 4.39Å
135	G	89.4	Confident	83.9	Confident	53 Å²	53	35.9 Å²	35.9	55%	0.546	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	15.2	-175	0	0	0	0	0	113.5	N131 L132	N131-G135 WeakPolarHBondContact O-CA 3.48Å; N131-G135 PolarHBondContact O-N 3.15Å; L132-G135 PolarHBondContact O-N 2.92Å
136	V	89.5	Confident	82.3	Confident	64 Å²	64	39.7 Å²	39.7	39%	0.388	24%	0.235	S	C	.	.	S	Bend	trans	-135.7	141.1	178.4	-73.7	0	0	0	0	108.8	N131 L134 V138 M214	N131-V136 WeakPolarHBondContact CA-O 3.28Å; N131-V136 PolarHBondContact O-N 3.08Å; N131-V136 PolarHBondContact OD1-O 3.4Å; L134-V136 HydrophobicContact CB-CG2 3.6Å; L134-V136 PolarHBondContact O-N 3.26Å; V136-V138 HydrophobicContact CB-CG2 4.23Å; V136-V138 HydrophobicContact CG2-CG2 3.62Å; V136-V138 PolarHBondContact O-N 3.27Å; V136-M214 HydrophobicContact CG2-CE 4.29Å
137	Q	90	Very high	80.4	Confident	123 Å²	123	44.2 Å²	44.2	58%	0.575	26%	0.256	S	S	*	.			trans	-84.5	95.1	177.9	-171.6	174.9	3.6	0	0	109.1	T188	Q137-T188 HydrophobicContact CG-CG2 4Å
138	V	91.9	Very high	78.7	Confident	12 Å²	12	53.1 Å²	53.1	7%	0.073	30%	0.298	C	S	.	.			trans	-103.9	-31.7	-178.7	-175.8	0	0	0	0	111.3	N131 L134 V136 F157 T188 I189 M214	N131-V138 PolarHBondContact OD1-N 3.46Å; L134-V138 HydrophobicContact CD1-CG2 4.46Å; V136-V138 HydrophobicContact CB-CG2 4.23Å; V136-V138 HydrophobicContact CG2-CG2 3.62Å; V136-V138 PolarHBondContact O-N 3.27Å; V138-F157 HydrophobicContact CG1-CE1 3.86Å; V138-F157 HydrophobicContact CG1-CZ 4.39Å; V138-T188 CarbonylContact O-C 3.49Å; V138-T188 WeakPolarHBondContact O-CA 3.36Å; V138-T188 WeakPolarHBondContact O-CB 3.34Å; V138-I189 HydrophobicContact CG1-CD1 3.95Å; V138-I189 HydrophobicContact CG1-CG1 4.08Å; V138-I189 PolarHBondContact O-N 2.94Å; V138-M214 HydrophobicContact CG2-CE 4.04Å; V138-M214 HydrophobicContact CG2-SD 4.2Å
139	L	91.6	Very high	77.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-104.1	146.7	176.8	-63.4	-178.6	0	0	0	111.5	C127 L130 N131 L155 F157 I189 L194	C127-L139 HydrophobicContact CB-CB 3.92Å; C127-L139 HydrophobicContact CB-CD1 3.96Å; L130-L139 HydrophobicContact CB-CD1 4.39Å; L130-L139 HydrophobicContact CD2-CD1 3.36Å; L130-L139 HydrophobicContact CD2-CG 3.94Å; L130-L139 HydrophobicContact CG-CD1 4.46Å; N131-L139 PolarHBondContact ND2-O 2.53Å; N131-L139 PolarHBondContact OD1-N 3.01Å; L139-L155 HydrophobicContact CD1-CD1 3.67Å; L139-L155 HydrophobicContact CD2-CD1 4.04Å; L139-F157 HydrophobicContact CD1-CZ 4.45Å; L139-F157 HydrophobicContact CD2-CZ 4.1Å; L139-F157 HydrophobicContact CG-CZ 4.29Å; L139-I189 HydrophobicContact CD2-CB 4.33Å; L139-I189 HydrophobicContact CD2-CD1 4.01Å; L139-L194 HydrophobicContact CD2-CD1 4.01Å; L139-L194 HydrophobicContact CD2-CD2 3.7Å
140	P	87.9	Confident	76.4	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.058	31%	0.313	C	S	.	.			trans	-67.8	143.9	174.8	26.3	-30.6	0	0	0	111.5	L144 E191 L194	P140-L144 HydrophobicContact CG-CD1 4.07Å; P140-E191 HydrophobicContact CB-CG 4.19Å; P140-E191 HydrophobicContact CG-CG 3.6Å; P140-L194 HydrophobicContact CG-CD1 3.83Å
141	T	73.6	Confident	75.7	Confident	17 Å²	17	58 Å²	58	10%	0.104	33%	0.327	C	S	.	.	S	Bend	trans	-122.5	0.2	-174.5	56.1	0	0	0	0	114.9	N124 Q128 N131	N124-T141 PolarHBondContact ND2-O 2.92Å; N124-T141 WeakPolarHBondContact OD1-CA 3.43Å; N124-T141 PolarHBondContact OD1-O 2.79Å; Q128-T141 HydrophobicContact CG-CG2 3.65Å; N131-T141 VanDerWaalsContact ND2-CG2 3.35Å; N131-T141 WeakPolarHBondContact ND2-CG2 3.35Å
142	T	62.8	Low	75.4	Confident	116 Å²	116	57.2 Å²	57.2	71%	0.712	32%	0.323	S	S	*	.	S	Bend	trans	-119.5	-7.4	-171.4	39.1	0	0	0	0	114.7
143	K	60.1	Low	75.4	Confident	157 Å²	157	54.1 Å²	54.1	68%	0.683	31%	0.305	S	S	*	.			trans	-148.1	21.1	-168.9	-86.1	-166.7	-178.8	-176.7	0	118.3	G145 E191	K143-G145 PolarHBondContact O-N 3.34Å; K143-E191 WeakPolarHBondContact CB-OE1 3.26Å
144	L	56.8	Low	75.3	Confident	20 Å²	20	55.1 Å²	55.1	11%	0.105	31%	0.309	C	S	.	.	S	Bend	trans	-71.8	129.9	160.9	-80.5	88.6	0	0	0	108.5	C123 P140 L152	C123-L144 HydrophobicContact CB-CB 4.46Å; C123-L144 HydrophobicContact CB-CD2 3.6Å; P140-L144 HydrophobicContact CG-CD1 4.07Å; L144-L152 HydrophobicContact CD2-CB 4.42Å; L144-L152 HydrophobicContact CD2-CD1 4.19Å
145	G	53.2	Low	75.3	Confident	38 Å²	38	55 Å²	55	39%	0.392	31%	0.308	S	S	.	.			trans	-54	176.6	-167.5	0	0	0	0	0	116.1	K143	K143-G145 PolarHBondContact O-N 3.34Å
146	S	55.4	Low	75.5	Confident	84 Å²	84	55.1 Å²	55.1	59%	0.587	29%	0.292	S	S	*	.			trans	-47	145.5	173.3	46.8	0	0	0	0	111	E148 S149 C150	S146-E148 PolarHBondContact O-N 3.21Å; S146-S149 PolarHBondContact N-OG 3.39Å; S146-S149 PolarHBondContact O-N 3.34Å; S146-S149 PolarHBondContact O-OG 2.72Å; S146-S149 PolarHBondContact OG-OG 3.09Å; S146-C150 PolarHBondContact O-N 3.37Å
147	E	52.3	Low	75.7	Confident	103 Å²	103	52 Å²	52	48%	0.481	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-26.5	-174	-130	173.3	-173.1	0	0	113.6	D122 K256	D122-E147 HydrophobicContact CB-CG 4.27Å; E147-K256 VanDerWaalsContact CD-NZ 3.32Å; E147-K256 IonicContact OE1-NZ 2.54Å; E147-K256 PolarHBondContact OE1-NZ 3.03Å; E147-K256 IonicContact OE2-NZ 2.8Å; E147-K256 PolarHBondContact OE2-NZ 3.4Å
148	E	55.6	Low	75.9	Confident	187 Å²	187	47.2 Å²	47.2	87%	0.874	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.8	178.4	-63.9	-176.7	162.9	0	0	115.2	S146	S146-E148 PolarHBondContact O-N 3.21Å
149	S	61.8	Low	76.1	Confident	55 Å²	55	50.9 Å²	50.9	39%	0.385	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-13	-175.7	70.1	0	0	0	0	114.7	S146 K151	S146-S149 PolarHBondContact N-OG 3.39Å; S146-S149 PolarHBondContact O-N 3.34Å; S146-S149 PolarHBondContact O-OG 2.72Å; S146-S149 PolarHBondContact OG-OG 3.09Å; S149-K151 PolarHBondContact O-N 3.22Å
150	C	72.1	Confident	76.1	Confident	12 Å²	12	51.4 Å²	51.4	8%	0.081	27%	0.272	C	S	.	.			trans	-63.7	124.3	178.7	176	0	0	0	0	111	C123 S146 C229	C123-C150 HydrophobicContact CB-CB 4.31Å; C123-C150 WeakPolarHBondContact CB-SG 3.21Å; C123-C150 WeakPolarHBondContact SG-CB 3.36Å; C123-C150 CovalentContact SG-SG 2.06Å; C123-C150 PolarHBondContact SG-SG 3.2Å; S146-C150 PolarHBondContact O-N 3.37Å; C150-C229 PolarHBondContact O-SG 3.5Å; C150-C229 PolarHBondContact SG-SG 2.86Å
151	K	79.8	Confident	76.2	Confident	66 Å²	66	56.6 Å²	56.6	29%	0.287	30%	0.303	S	S	.	.			trans	-117.8	40	179.8	-71.8	178.9	-174.7	166.1	0	113.1	S149 R153 E195 V196 E198 L232	S149-K151 PolarHBondContact O-N 3.22Å; K151-R153 PolarHBondContact O-N 3.26Å; K151-R153 VanDerWaalsContact O-N 3.16Å; K151-E195 HydrophobicContact CB-CB 4.4Å; K151-E195 CarbonylContact O-C 3.58Å; K151-E195 VanDerWaalsContact O-CA 3.31Å; K151-E195 WeakPolarHBondContact O-CA 3.41Å; K151-V196 HydrophobicContact CB-CB 4.47Å; K151-V196 PolarHBondContact O-N 2.87Å; K151-E198 IonicContact NZ-OE1 3.03Å; K151-E198 PolarHBondContact NZ-OE1 3.33Å; K151-L232 VanDerWaalsContact CA-CD1 3.41Å; K151-L232 HydrophobicContact CB-CD1 3.82Å; K151-L232 HydrophobicContact CG-CD1 4.24Å; K151-L232 WeakPolarHBondContact O-CD1 3.48Å
152	L	86.6	Confident	76.9	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-54.3	118.9	178.2	-174.4	66.6	0	0	0	111.1	C123 L144 L155 L194 V226 P228 C229	C123-L152 HydrophobicContact CB-CB 4.33Å; C123-L152 HydrophobicContact CB-CD2 4.08Å; L144-L152 HydrophobicContact CD2-CB 4.42Å; L144-L152 HydrophobicContact CD2-CD1 4.19Å; L152-L155 HydrophobicContact CD1-CD1 4.17Å; L152-L155 HydrophobicContact CD1-CD2 4.28Å; L152-L155 HydrophobicContact CD1-CG 4.37Å; L152-L194 HydrophobicContact CD1-CB 3.9Å; L152-V226 HydrophobicContact CD2-CG1 4.41Å; L152-P228 CarbonylContact O-C 3.55Å; L152-P228 VanDerWaalsContact O-CA 3.25Å; L152-P228 WeakPolarHBondContact O-CA 3.26Å; L152-P228 WeakPolarHBondContact O-CB 3.35Å; L152-C229 VanDerWaalsContact CB-SG 3.52Å; L152-C229 PolarHBondContact N-SG 3.04Å; L152-C229 PolarHBondContact O-N 3.04Å
153	R	89.2	Confident	78.1	Confident	16 Å²	16	61.3 Å²	61.3	6%	0.06	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-76.3	169.3	172.8	75.2	-172.7	68.2	-151.5	11	111	K151 L155 D193 L194 E195 V196 L210	K151-R153 PolarHBondContact O-N 3.26Å; K151-R153 VanDerWaalsContact O-N 3.16Å; R153-L155 HydrophobicContact CG-CD2 4.18Å; R153-L155 PolarHBondContact O-N 3.39Å; R153-D193 PolarHBondContact NE-O 3.03Å; R153-L194 WeakPolarHBondContact CG-O 3.23Å; R153-L194 PolarHBondContact N-O 3.07Å; R153-E195 PolarHBondContact NH2-O 2.95Å; R153-V196 HydrophobicContact CB-CG2 3.92Å; R153-L210 HydrophobicContact CG-CB 4.33Å
154	R	89.6	Confident	79.6	Confident	23 Å²	23	59.9 Å²	59.9	9%	0.087	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.5	132.5	173.9	-170.9	171.6	67.2	-162.3	-0.4	109.3	E209 L210 V225 D241	R154-E209 HydrophobicContact CB-CB 4.11Å; R154-E209 HydrophobicContact CG-CB 4.46Å; R154-E209 IonicContact CZ-OE2 3.78Å; R154-E209 IonicContact NE-OE2 3.56Å; R154-E209 PolarHBondContact NE-OE2 3.13Å; R154-E209 VanDerWaalsContact NH2-CD 3.27Å; R154-E209 IonicContact NH2-OE1 3.51Å; R154-E209 IonicContact NH2-OE2 2.99Å; R154-E209 PolarHBondContact NH2-OE2 2.83Å; R154-E209 WeakPolarHBondContact O-CA 3.25Å; R154-E209 WeakPolarHBondContact O-CB 3.4Å; R154-L210 PolarHBondContact O-N 2.93Å; R154-V225 HydrophobicContact CG-CG1 4.03Å; R154-D241 IonicContact NH1-OD2 2.7Å
155	L	92.9	Very high	81.2	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.7	176.2	-44.8	178.3	0	0	0	109.4	L139 L152 R153 F157 L194 L210 V225 V226	L139-L155 HydrophobicContact CD1-CD1 3.67Å; L139-L155 HydrophobicContact CD2-CD1 4.04Å; L152-L155 HydrophobicContact CD1-CD1 4.17Å; L152-L155 HydrophobicContact CD1-CD2 4.28Å; L152-L155 HydrophobicContact CD1-CG 4.37Å; R153-L155 HydrophobicContact CG-CD2 4.18Å; R153-L155 PolarHBondContact O-N 3.39Å; L155-F157 HydrophobicContact CB-CD2 4.42Å; L155-F157 HydrophobicContact CB-CE2 3.92Å; L155-F157 HydrophobicContact CD1-CE2 4.25Å; L155-L194 HydrophobicContact CD1-CD2 3.91Å; L155-L194 HydrophobicContact CD2-CD2 3.66Å; L155-L194 HydrophobicContact CG-CD2 4.46Å; L155-L210 WeakPolarHBondContact CA-O 3.31Å; L155-L210 HydrophobicContact CD2-CB 3.74Å; L155-L210 HydrophobicContact CD2-CD2 4.09Å; L155-V225 CarbonylContact O-C 3.52Å; L155-V225 WeakPolarHBondContact O-CA 2.88Å; L155-V226 HydrophobicContact CB-CB 4.06Å; L155-V226 HydrophobicContact CB-CG2 4.42Å; L155-V226 HydrophobicContact CD1-CB 4.29Å; L155-V226 HydrophobicContact CD1-CG2 4.47Å; L155-V226 HydrophobicContact CG-CB 4.31Å; L155-V226 PolarHBondContact N-O 3.18Å; L155-V226 PolarHBondContact O-N 3.28Å
156	R	92.8	Very high	83	Confident	55 Å²	55	57.7 Å²	57.7	21%	0.208	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	117.6	176.6	-176.1	177.9	179.1	179.1	-2.7	110.2	T158 L210 E211 V212 D223 V225	R156-T158 HydrophobicContact CG-CG2 4.02Å; R156-L210 PolarHBondContact N-O 3.01Å; R156-E211 HydrophobicContact CB-CG 4.5Å; R156-E211 CarbonylContact O-C 3.59Å; R156-E211 WeakPolarHBondContact O-CA 3.3Å; R156-V212 PolarHBondContact O-N 3.01Å; R156-D223 IonicContact CZ-OD2 3.71Å; R156-D223 IonicContact NE-OD2 3.89Å; R156-D223 PolarHBondContact NE-OD2 3.31Å; R156-D223 IonicContact NH2-OD2 2.85Å; R156-D223 PolarHBondContact NH2-OD2 3.02Å; R156-V225 HydrophobicContact CG-CG2 4.31Å
157	F	95.1	Very high	84.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.5	178	-73.2	-103	0	0	0	110.2	L130 L134 V138 L139 L155 I189 V212 M214 L219 V224	L130-F157 HydrophobicContact CD1-CD2 4.46Å; L130-F157 HydrophobicContact CD2-CD2 3.8Å; L130-F157 HydrophobicContact CD2-CE1 4.1Å; L130-F157 HydrophobicContact CD2-CE2 3.31Å; L130-F157 HydrophobicContact CD2-CG 4.4Å; L130-F157 HydrophobicContact CD2-CZ 3.48Å; L130-F157 VanDerWaalsContact CD2-CZ 3.48Å; L134-F157 HydrophobicContact CD1-CD1 4.32Å; V138-F157 HydrophobicContact CG1-CE1 3.86Å; V138-F157 HydrophobicContact CG1-CZ 4.39Å; L139-F157 HydrophobicContact CD1-CZ 4.45Å; L139-F157 HydrophobicContact CD2-CZ 4.1Å; L139-F157 HydrophobicContact CG-CZ 4.29Å; L155-F157 HydrophobicContact CB-CD2 4.42Å; L155-F157 HydrophobicContact CB-CE2 3.92Å; L155-F157 HydrophobicContact CD1-CE2 4.25Å; F157-I189 HydrophobicContact CE1-CD1 4.41Å; F157-I189 HydrophobicContact CZ-CD1 4.15Å; F157-V212 CarbonylContact C-O 3.52Å; F157-V212 VanDerWaalsContact CA-O 3.3Å; F157-V212 WeakPolarHBondContact CA-O 3.48Å; F157-V212 HydrophobicContact CD1-CB 3.73Å; F157-V212 HydrophobicContact CD1-CG1 3.8Å; F157-V212 HydrophobicContact CD1-CG2 4.47Å; F157-V212 HydrophobicContact CE1-CB 3.68Å; F157-V212 HydrophobicContact CE1-CG1 3.57Å; F157-V212 HydrophobicContact CE1-CG2 4.01Å; F157-V212 HydrophobicContact CE2-CG2 4.32Å; F157-V212 HydrophobicContact CG-CB 4.2Å; F157-V212 HydrophobicContact CZ-CB 4.09Å; F157-V212 HydrophobicContact CZ-CG1 4.31Å; F157-V212 HydrophobicContact CZ-CG2 3.92Å; F157-M214 HydrophobicContact CD1-SD 4.19Å; F157-M214 HydrophobicContact CE1-SD 4.49Å; F157-L219 HydrophobicContact CB-CD1 4.22Å; F157-L219 HydrophobicContact CB-CD2 4.01Å; F157-V224 HydrophobicContact CB-CB 4.31Å; F157-V224 PolarHBondContact N-O 3.37Å; F157-V224 PolarHBondContact O-N 3.22Å; F157-V224 VanDerWaalsContact O-N 3.08Å
158	T	93.9	Very high	86.2	Confident	22 Å²	22	49.2 Å²	49.2	14%	0.135	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	164.7	-177.9	61.3	0	0	0	0	111	R156 V212 T213 M214	R156-T158 HydrophobicContact CG-CG2 4.02Å; T158-V212 PolarHBondContact N-O 3.21Å; T158-T213 WeakPolarHBondContact O-CA 3.46Å; T158-T213 VanDerWaalsContact OG1-CG2 3.24Å; T158-T213 WeakPolarHBondContact OG1-CG2 3.47Å; T158-M214 PolarHBondContact O-N 3.3Å
159	Y	94.4	Very high	87.5	Confident	88 Å²	88	42.5 Å²	42.5	35%	0.345	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.8	178.2	179.8	-106.4	0	0	0	112.3	H215 L219 Q220	Y159-H215 AromaticContact CE2-ND1 3.55Å; Y159-H215 AromaticContact CZ-ND1 3.82Å; Y159-H215 PolarHBondContact OH-CE1 2.89Å; Y159-H215 PolarHBondContact OH-ND1 3.29Å; Y159-L219 WeakPolarHBondContact CB-O 3.28Å; Y159-Q220 HydrophobicContact CD1-CG 4.21Å; Y159-Q220 HydrophobicContact CD2-CB 4.32Å; Y159-Q220 HydrophobicContact CD2-CG 3.27Å; Y159-Q220 HydrophobicContact CE1-CG 4.18Å; Y159-Q220 HydrophobicContact CE2-CG 3.25Å; Y159-Q220 VanDerWaalsContact CE2-NE2 3.28Å; Y159-Q220 HydrophobicContact CG-CG 3.77Å; Y159-Q220 PolarHBondContact OH-NE2 2.96Å; Y159-Q220 VanDerWaalsContact OH-NE2 3.16Å
160	G	92.7	Very high	87.7	Confident	12 Å²	12	43 Å²	43	12%	0.124	22%	0.216	C	C	.	.			trans	-139.7	156.5	169.1	0	0	0	0	0	111.4	Q162 M214 H215	G160-Q162 VanDerWaalsContact C-N 3.26Å; G160-M214 PolarHBondContact N-O 3.31Å; G160-M214 CarbonylContact O-C 3.52Å; G160-M214 VanDerWaalsContact O-C 3.26Å; G160-H215 WeakPolarHBondContact O-CA 3.47Å; G160-H215 PolarHBondContact O-N 3.08Å
161	T	89.5	Confident	87.2	Confident	117 Å²	117	45.4 Å²	45.4	72%	0.718	24%	0.243	S	C	*	.	S	Bend	trans	-75	-21.6	170	50	0	0	0	0	112.1
162	Q	88.1	Confident	86.3	Confident	152 Å²	152	50.1 Å²	50.1	71%	0.71	27%	0.266	S	S	*	.	S	Bend	trans	-128	151.9	175.5	-65.7	-179.1	-7.8	0	0	109	G160 R164	G160-Q162 VanDerWaalsContact C-N 3.26Å; Q162-R164 PolarHBondContact O-N 2.94Å
163	T	89.5	Confident	85.5	Confident	81 Å²	81	57.7 Å²	57.7	50%	0.497	30%	0.295	S	S	.	.			trans	-77.4	117.2	172.9	-56.1	0	0	0	0	109.2	W186 T213 M214	T163-W186 HydrophobicContact CG2-CH2 3.82Å; T163-W186 HydrophobicContact CG2-CZ2 4.09Å; T163-T213 CarbonylContact C-O 3.59Å; T163-T213 WeakPolarHBondContact CA-O 3.49Å; T163-M214 HydrophobicContact CG2-CB 4.23Å
164	R	90.2	Very high	84.8	Confident	127 Å²	127	62 Å²	62	48%	0.479	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136	174.8	179.3	-174	-175.1	-141.2	-3.7	109.4	Q162 E174 T213	Q162-R164 PolarHBondContact O-N 2.94Å; R164-E174 IonicContact CZ-OE1 3.86Å; R164-E174 VanDerWaalsContact CZ-OE1 3.24Å; R164-E174 IonicContact CZ-OE2 2.67Å; R164-E174 IonicContact NH1-OE1 3.76Å; R164-E174 PolarHBondContact NH1-OE1 3.42Å; R164-E174 IonicContact NH1-OE2 2.81Å; R164-E174 VanDerWaalsContact NH2-CD 3.28Å; R164-E174 IonicContact NH2-OE1 3.05Å; R164-E174 PolarHBondContact NH2-OE1 3.27Å; R164-E174 IonicContact NH2-OE2 3.64Å; R164-E174 PolarHBondContact NH2-OE2 3.47Å; R164-T213 VanDerWaalsContact CB-OG1 3.3Å; R164-T213 WeakPolarHBondContact CB-OG1 3.49Å; R164-T213 PolarHBondContact N-O 3.5Å; R164-T213 PolarHBondContact N-OG1 3.12Å; R164-T213 PolarHBondContact O-N 3.02Å; R164-T213 PolarHBondContact O-OG1 3.35Å; R164-T213 VanDerWaalsContact O-OG1 3.07Å
165	V	91.3	Very high	84	Confident	4 Å²	4	63 Å²	63	2%	0.024	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130	174.1	-172.1	0	0	0	0	107.9	L179 A181 H182 W186 L210 E211 V212	V165-L179 HydrophobicContact CB-CD1 4.45Å; V165-L179 HydrophobicContact CG1-CD1 3.95Å; V165-A181 HydrophobicContact CB-CB 4.15Å; V165-A181 HydrophobicContact CG1-CB 4.48Å; V165-A181 HydrophobicContact CG2-CB 4.24Å; V165-H182 PolarHBondContact O-NE2 3.41Å; V165-W186 HydrophobicContact CG2-CH2 4.33Å; V165-W186 HydrophobicContact CG2-CZ2 3.8Å; V165-L210 HydrophobicContact CG1-CD1 3.6Å; V165-L210 HydrophobicContact CG1-CD2 3.99Å; V165-L210 HydrophobicContact CG1-CG 3.8Å; V165-E211 WeakPolarHBondContact CA-O 3.32Å; V165-V212 HydrophobicContact CG1-CG2 4.48Å
166	S	90.8	Very high	82.5	Confident	8 Å²	8	70.5 Å²	70.5	6%	0.056	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.6	177.3	44.7	0	0	0	0	110.4	E211	S166-E211 PolarHBondContact N-O 3.04Å; S166-E211 PolarHBondContact O-N 2.82Å
167	L	89.1	Confident	81.2	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.3	172.9	-171.5	69.7	0	0	0	108.5	L175 H177 L179 A208 L210	L167-L175 HydrophobicContact CB-CB 4.46Å; L167-L175 HydrophobicContact CD2-CB 4.25Å; L167-L175 HydrophobicContact CD2-CD1 3.97Å; L167-L175 HydrophobicContact CG-CB 4.4Å; L167-L175 HydrophobicContact CG-CD1 4.06Å; L167-L175 PolarHBondContact O-N 3.02Å; L167-H177 HydrophobicContact CD2-CB 4.34Å; L167-L179 HydrophobicContact CB-CD2 4.46Å; L167-A208 HydrophobicContact CD1-CB 3.75Å; L167-A208 HydrophobicContact CD2-CB 4.1Å; L167-A208 HydrophobicContact CG-CB 3.78Å; L167-L210 HydrophobicContact CD1-CD1 4.39Å
168	A	85.8	Confident	80.2	Confident	5 Å²	5	76.3 Å²	76.3	4%	0.041	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.8	-174.1	0	0	0	0	0	111.5	Y173 A208 E209 E211	A168-Y173 WeakPolarHBondContact CA-O 3.49Å; A168-A208 CarbonylContact O-C 3.58Å; A168-A208 WeakPolarHBondContact O-CA 3.49Å; A168-E209 PolarHBondContact N-O 3.01Å; A168-E209 PolarHBondContact O-N 3.37Å; A168-E211 HydrophobicContact CB-CG 4.03Å
169	L	81.6	Confident	79.7	Confident	46 Å²	46	75.6 Å²	75.6	24%	0.241	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	143.2	163.5	-74.1	170.4	0	0	0	109.4	G171 Y173 L175 A204 L207 A208	L169-G171 PolarHBondContact O-N 3.36Å; L169-Y173 PolarHBondContact N-O 3.07Å; L169-L175 HydrophobicContact CG-CD1 4.11Å; L169-A204 HydrophobicContact CD1-CB 4.48Å; L169-A204 HydrophobicContact CD2-CB 4.33Å; L169-A204 WeakPolarHBondContact CD2-O 3.44Å; L169-L207 HydrophobicContact CD2-CB 4.07Å; L169-A208 HydrophobicContact CD2-CB 4.36Å
170	P	67	Low	79.3	Confident	66 Å²	66	74 Å²	74	43%	0.429	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	109.5	176.3	8.7	-19.1	0	0	0	111	L207	P170-L207 WeakPolarHBondContact CD-O 3.35Å
171	G	62.2	Low	78.9	Confident	62 Å²	62	74 Å²	74	64%	0.639	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-0.9	163.5	0	0	0	0	0	119.3	L169	L169-G171 PolarHBondContact O-N 3.36Å
172	Q	61.3	Low	78.8	Confident	164 Å²	164	73.7 Å²	73.7	77%	0.766	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-173.6	-12.5	170	-109.4	144	66.2	0	0	121.1
173	Y	68.9	Low	78.5	Confident	159 Å²	159	73 Å²	73	62%	0.624	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	115.6	-169.7	-59.9	-80.9	0	0	0	112.9	A168 L169 L175	A168-Y173 WeakPolarHBondContact CA-O 3.49Å; L169-Y173 PolarHBondContact N-O 3.07Å; Y173-L175 PolarHBondContact O-N 3.02Å
174	E	74.6	Confident	77.8	Confident	106 Å²	106	71.2 Å²	71.2	50%	0.495	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	122	162.6	-76.4	-173.4	-175.1	0	0	108	R164	R164-E174 IonicContact CZ-OE1 3.86Å; R164-E174 VanDerWaalsContact CZ-OE1 3.24Å; R164-E174 IonicContact CZ-OE2 2.67Å; R164-E174 IonicContact NH1-OE1 3.76Å; R164-E174 PolarHBondContact NH1-OE1 3.42Å; R164-E174 IonicContact NH1-OE2 2.81Å; R164-E174 VanDerWaalsContact NH2-CD 3.28Å; R164-E174 IonicContact NH2-OE1 3.05Å; R164-E174 PolarHBondContact NH2-OE1 3.27Å; R164-E174 IonicContact NH2-OE2 3.64Å; R164-E174 PolarHBondContact NH2-OE2 3.47Å
175	L	72.3	Confident	77.3	Confident	44 Å²	44	73.7 Å²	73.7	23%	0.23	41%	0.406	C	S	.	.			trans	-72.7	127.7	171.4	-81.2	150.7	0	0	0	108.2	L167 L169 Y173 H177 A208	L167-L175 HydrophobicContact CB-CB 4.46Å; L167-L175 HydrophobicContact CD2-CB 4.25Å; L167-L175 HydrophobicContact CD2-CD1 3.97Å; L167-L175 HydrophobicContact CG-CB 4.4Å; L167-L175 HydrophobicContact CG-CD1 4.06Å; L167-L175 PolarHBondContact O-N 3.02Å; L169-L175 HydrophobicContact CG-CD1 4.11Å; Y173-L175 PolarHBondContact O-N 3.02Å; L175-H177 PolarHBondContact O-N 3.29Å; L175-A208 HydrophobicContact CD1-CB 3.41Å; L175-A208 VanDerWaalsContact CD1-CB 3.41Å
176	V	61.2	Low	77.1	Confident	159 Å²	159	77.2 Å²	77.2	96%	0.964	42%	0.419	S	S	*	.			trans	-72.1	84.2	172.1	-175.9	0	0	0	0	107.7
177	H	66.8	Low	76.8	Confident	74 Å²	74	85.8 Å²	85.8	34%	0.343	46%	0.458	S	S	.	.			trans	-120.6	132.9	175.4	-156.8	-48.8	0	0	0	109.3	L167 L175 L179 H205	L167-H177 HydrophobicContact CD2-CB 4.34Å; L175-H177 PolarHBondContact O-N 3.29Å; H177-L179 PolarHBondContact O-N 2.85Å; H177-L179 VanDerWaalsContact O-N 3.08Å; H177-H205 AromaticContact CD2-CE1 3.58Å
178	T	73.6	Confident	76.9	Confident	103 Å²	103	87.4 Å²	87.4	63%	0.632	47%	0.468	S	S	*	.			trans	-72.9	100.2	168.5	-44.8	0	0	0	0	107.8	Q183	T178-Q183 HydrophobicContact CG2-CG 4.42Å
179	L	83.6	Confident	77.1	Confident	7 Å²	7	87.2 Å²	87.2	4%	0.037	47%	0.466	C	S	.	.			trans	-78.8	146.8	174.8	-65.9	176.3	0	0	0	109.9	V165 L167 H177 A181 H182 D193 L210	V165-L179 HydrophobicContact CB-CD1 4.45Å; V165-L179 HydrophobicContact CG1-CD1 3.95Å; L167-L179 HydrophobicContact CB-CD2 4.46Å; H177-L179 PolarHBondContact O-N 2.85Å; H177-L179 VanDerWaalsContact O-N 3.08Å; L179-A181 HydrophobicContact CB-CB 4.42Å; L179-A181 PolarHBondContact O-N 2.79Å; L179-H182 WeakPolarHBondContact O-CB 3.49Å; L179-H182 PolarHBondContact O-N 2.98Å; L179-D193 WeakPolarHBondContact CA-OD1 3.45Å; L179-D193 HydrophobicContact CD2-CB 4.27Å; L179-D193 WeakPolarHBondContact CD2-OD1 3.44Å; L179-L210 HydrophobicContact CD1-CD1 4.29Å
180	V	84.9	Confident	77.5	Confident	55 Å²	55	85.9 Å²	85.9	33%	0.333	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-62.1	-34	174.9	-179.5	0	0	0	0	109.8	H182 Q183 P190 E192 D193	V180-H182 PolarHBondContact O-N 3.3Å; V180-Q183 PolarHBondContact O-N 3.04Å; V180-P190 HydrophobicContact CB-CB 3.89Å; V180-P190 HydrophobicContact CB-CG 3.98Å; V180-P190 HydrophobicContact CG1-CB 3.87Å; V180-P190 HydrophobicContact CG1-CG 3.85Å; V180-E192 HydrophobicContact CG2-CB 4.02Å; V180-D193 PolarHBondContact N-OD1 2.67Å; V180-D193 PolarHBondContact N-OD2 2.93Å
181	A	85.3	Confident	78.4	Confident	10 Å²	10	85.5 Å²	85.5	8%	0.083	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-57	-18.2	173.4	0	0	0	0	0	114.5	V165 L179 W186 P190 D193	V165-A181 HydrophobicContact CB-CB 4.15Å; V165-A181 HydrophobicContact CG1-CB 4.48Å; V165-A181 HydrophobicContact CG2-CB 4.24Å; L179-A181 HydrophobicContact CB-CB 4.42Å; L179-A181 PolarHBondContact O-N 2.79Å; A181-W186 PolarHBondContact O-NE1 2.81Å; A181-P190 HydrophobicContact CB-CG 4.43Å; A181-D193 VanDerWaalsContact CB-OD2 3.3Å; A181-D193 WeakPolarHBondContact CB-OD2 3.41Å; A181-D193 PolarHBondContact N-OD2 2.91Å
182	H	85.9	Confident	79.5	Confident	112 Å²	112	87.5 Å²	87.5	52%	0.519	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-92.5	-10.8	175.9	-58.5	157.8	0	0	0	113.5	V165 L179 V180	V165-H182 PolarHBondContact O-NE2 3.41Å; L179-H182 WeakPolarHBondContact O-CB 3.49Å; L179-H182 PolarHBondContact O-N 2.98Å; V180-H182 PolarHBondContact O-N 3.3Å
183	Q	81.9	Confident	80.8	Confident	136 Å²	136	80.1 Å²	80.1	64%	0.636	41%	0.411	S	S	*	.	S	Bend	trans	-94.2	-7.6	-172.4	-59.9	-179	15.1	0	0	113.7	T178 V180	T178-Q183 HydrophobicContact CG2-CG 4.42Å; V180-Q183 PolarHBondContact O-N 3.04Å
184	G	75	Confident	81.8	Confident	44 Å²	44	72.6 Å²	72.6	45%	0.454	38%	0.382	S	S	.	.	S	Bend	trans	-179.4	-176.5	-180	0	0	0	0	0	113.7
185	N	80.8	Confident	82.3	Confident	179 Å²	179	70 Å²	70	96%	0.957	37%	0.37	S	S	*	.			trans	-81	140.2	173.4	-67	-23.3	0	0	0	110.1
186	W	87.3	Confident	82.8	Confident	78 Å²	78	68.6 Å²	68.6	30%	0.295	36%	0.363	S	S	.	.			trans	-132.6	144.1	179.3	47.8	-95.6	0	0	0	109.9	T163 V165 A181 T188 I189 P190	T163-W186 HydrophobicContact CG2-CH2 3.82Å; T163-W186 HydrophobicContact CG2-CZ2 4.09Å; V165-W186 HydrophobicContact CG2-CH2 4.33Å; V165-W186 HydrophobicContact CG2-CZ2 3.8Å; A181-W186 PolarHBondContact O-NE1 2.81Å; W186-T188 WeakPolarHBondContact CB-O 3.49Å; W186-I189 HydrophobicContact CE3-CG1 4.39Å; W186-I189 HydrophobicContact CH2-CG1 3.9Å; W186-I189 HydrophobicContact CZ3-CG1 3.82Å; W186-P190 HydrophobicContact CB-CG 4.45Å
187	E	83.8	Confident	83.4	Confident	189 Å²	189	66.9 Å²	66.9	88%	0.883	35%	0.345	S	S	*	.	S	Bend	trans	-82.1	-41.5	173.8	-68.8	-175	171.6	0	0	111
188	T	90.9	Very high	82.9	Confident	38 Å²	38	70.7 Å²	70.7	23%	0.233	36%	0.362	C	S	.	.	S	Bend	trans	-124.3	155.4	170.2	58.4	0	0	0	0	109.6	Q137 V138 W186	Q137-T188 HydrophobicContact CG-CG2 4Å; V138-T188 CarbonylContact O-C 3.49Å; V138-T188 WeakPolarHBondContact O-CA 3.36Å; V138-T188 WeakPolarHBondContact O-CB 3.34Å; W186-T188 WeakPolarHBondContact CB-O 3.49Å
189	I	91.1	Very high	82	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.372	C	S	.	.			trans	-54.2	130.9	177.4	-60.9	177.1	0	0	0	109.3	V138 L139 F157 W186 D193 L194 L210 V212	V138-I189 HydrophobicContact CG1-CD1 3.95Å; V138-I189 HydrophobicContact CG1-CG1 4.08Å; V138-I189 PolarHBondContact O-N 2.94Å; L139-I189 HydrophobicContact CD2-CB 4.33Å; L139-I189 HydrophobicContact CD2-CD1 4.01Å; F157-I189 HydrophobicContact CE1-CD1 4.41Å; F157-I189 HydrophobicContact CZ-CD1 4.15Å; W186-I189 HydrophobicContact CE3-CG1 4.39Å; W186-I189 HydrophobicContact CH2-CG1 3.9Å; W186-I189 HydrophobicContact CZ3-CG1 3.82Å; I189-D193 HydrophobicContact CG2-CB 4.43Å; I189-L194 HydrophobicContact CB-CD2 4.38Å; I189-L194 HydrophobicContact CG2-CD2 3.85Å; I189-L194 HydrophobicContact CG2-CG 4.01Å; I189-L210 HydrophobicContact CG2-CD2 4.01Å; I189-V212 HydrophobicContact CD1-CB 4.42Å; I189-V212 HydrophobicContact CD1-CG1 4.02Å; I189-V212 HydrophobicContact CD1-CG2 3.54Å
190	P	89.4	Confident	80.7	Confident	18 Å²	18	76.4 Å²	76.4	12%	0.117	39%	0.389	C	S	.	.			trans	-55.7	138.9	179.3	-25.7	35.1	0	0	0	112.4	V180 A181 W186 E192 D193 L194	V180-P190 HydrophobicContact CB-CB 3.89Å; V180-P190 HydrophobicContact CB-CG 3.98Å; V180-P190 HydrophobicContact CG1-CB 3.87Å; V180-P190 HydrophobicContact CG1-CG 3.85Å; A181-P190 HydrophobicContact CB-CG 4.43Å; W186-P190 HydrophobicContact CB-CG 4.45Å; P190-E192 WeakPolarHBondContact CB-OE2 3.38Å; P190-E192 PolarHBondContact O-N 2.82Å; P190-D193 PolarHBondContact O-N 2.82Å; P190-D193 VanDerWaalsContact O-N 3.16Å; P190-L194 PolarHBondContact O-N 3.17Å
191	E	86.1	Confident	79.3	Confident	59 Å²	59	83.5 Å²	83.5	28%	0.276	42%	0.419	S	S	.	.	H	α-helix	trans	-62.3	-32.4	-178.1	-70.2	177.9	171.7	0	0	111.6	P140 K143 D193 L194 E195	P140-E191 HydrophobicContact CB-CG 4.19Å; P140-E191 HydrophobicContact CG-CG 3.6Å; K143-E191 WeakPolarHBondContact CB-OE1 3.26Å; E191-D193 VanDerWaalsContact C-N 3.25Å; E191-D193 PolarHBondContact O-N 3.34Å; E191-L194 WeakPolarHBondContact O-CB 3.44Å; E191-L194 PolarHBondContact O-N 2.86Å; E191-L194 VanDerWaalsContact O-N 3.08Å; E191-E195 PolarHBondContact O-N 3.39Å; E191-E195 VanDerWaalsContact O-N 3.17Å
192	E	85.5	Confident	78.7	Confident	104 Å²	104	87 Å²	87	49%	0.486	44%	0.436	S	S	.	.	H	α-helix	trans	-63.5	-29.9	178.6	-57.3	84.5	172.7	0	0	113.1	V180 P190	V180-E192 HydrophobicContact CG2-CB 4.02Å; P190-E192 WeakPolarHBondContact CB-OE2 3.38Å; P190-E192 PolarHBondContact O-N 2.82Å
193	D	88.7	Confident	78.1	Confident	8 Å²	8	84.8 Å²	84.8	4%	0.043	44%	0.437	C	S	.	.	H	α-helix	trans	-83.3	-21.5	177.9	-65.7	-26.4	0	0	0	111.3	R153 L179 V180 A181 I189 P190 E191	R153-D193 PolarHBondContact NE-O 3.03Å; L179-D193 WeakPolarHBondContact CA-OD1 3.45Å; L179-D193 HydrophobicContact CD2-CB 4.27Å; L179-D193 WeakPolarHBondContact CD2-OD1 3.44Å; V180-D193 PolarHBondContact N-OD1 2.67Å; V180-D193 PolarHBondContact N-OD2 2.93Å; A181-D193 VanDerWaalsContact CB-OD2 3.3Å; A181-D193 WeakPolarHBondContact CB-OD2 3.41Å; A181-D193 PolarHBondContact N-OD2 2.91Å; I189-D193 HydrophobicContact CG2-CB 4.43Å; P190-D193 PolarHBondContact O-N 2.82Å; P190-D193 VanDerWaalsContact O-N 3.16Å; E191-D193 VanDerWaalsContact C-N 3.25Å; E191-D193 PolarHBondContact O-N 3.34Å
194	L	88.3	Confident	77.9	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.005	42%	0.416	C	S	.	.	H	α-helix	trans	-84	-30.7	-179.8	-63.8	173.8	0	0	0	113	L139 P140 L152 R153 L155 I189 P190 E191 L210	L139-L194 HydrophobicContact CD2-CD1 4.01Å; L139-L194 HydrophobicContact CD2-CD2 3.7Å; P140-L194 HydrophobicContact CG-CD1 3.83Å; L152-L194 HydrophobicContact CD1-CB 3.9Å; R153-L194 WeakPolarHBondContact CG-O 3.23Å; R153-L194 PolarHBondContact N-O 3.07Å; L155-L194 HydrophobicContact CD1-CD2 3.91Å; L155-L194 HydrophobicContact CD2-CD2 3.66Å; L155-L194 HydrophobicContact CG-CD2 4.46Å; I189-L194 HydrophobicContact CB-CD2 4.38Å; I189-L194 HydrophobicContact CG2-CD2 3.85Å; I189-L194 HydrophobicContact CG2-CG 4.01Å; P190-L194 PolarHBondContact O-N 3.17Å; E191-L194 WeakPolarHBondContact O-CB 3.44Å; E191-L194 PolarHBondContact O-N 2.86Å; E191-L194 VanDerWaalsContact O-N 3.08Å; L194-L210 HydrophobicContact CD2-CD2 3.7Å
195	E	86.4	Confident	77.9	Confident	52 Å²	52	78.9 Å²	78.9	24%	0.243	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-102	147.6	-175.7	-64.2	-166.4	159.4	0	0	113.3	K151 R153 E191	K151-E195 HydrophobicContact CB-CB 4.4Å; K151-E195 CarbonylContact O-C 3.58Å; K151-E195 VanDerWaalsContact O-CA 3.31Å; K151-E195 WeakPolarHBondContact O-CA 3.41Å; R153-E195 PolarHBondContact NH2-O 2.95Å; E191-E195 PolarHBondContact O-N 3.39Å; E191-E195 VanDerWaalsContact O-N 3.17Å
196	V	81.4	Confident	77.7	Confident	14 Å²	14	73.5 Å²	73.5	9%	0.085	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-78.8	120.9	171.1	-174.7	0	0	0	0	109.5	K151 R153 V206 L232	K151-V196 HydrophobicContact CB-CB 4.47Å; K151-V196 PolarHBondContact O-N 2.87Å; R153-V196 HydrophobicContact CB-CG2 3.92Å; V196-V206 HydrophobicContact CG1-CG2 4.3Å; V196-L232 HydrophobicContact CB-CD2 4.23Å; V196-L232 HydrophobicContact CG2-CD2 3.73Å
197	Q	74.3	Confident	77.3	Confident	124 Å²	124	73.6 Å²	73.6	58%	0.579	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-74.7	146.2	-177.5	-62.2	-164.4	4.7	0	0	113.1	N199	Q197-N199 PolarHBondContact O-N 3.32Å
198	E	57.3	Low	77.4	Confident	153 Å²	153	64.7 Å²	64.7	72%	0.715	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.5	-168	-87	-178.9	171.5	0	0	117.3	K151	K151-E198 IonicContact NZ-OE1 3.03Å; K151-E198 PolarHBondContact NZ-OE1 3.33Å
199	N	54.6	Low	77.3	Confident	154 Å²	154	63.2 Å²	63.2	82%	0.824	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	5.3	-170.2	-69.3	-21.3	0	0	0	114.7	Q197	Q197-N199 PolarHBondContact O-N 3.32Å
200	N	55.3	Low	77.3	Confident	76 Å²	76	63.2 Å²	63.2	41%	0.406	33%	0.33	S	S	.	.			trans	-101.4	103.2	-179.1	-81.6	-7.4	0	0	0	111	D202	N200-D202 PolarHBondContact O-N 3.46Å
201	E	56.4	Low	77.5	Confident	205 Å²	205	64.6 Å²	64.6	96%	0.958	34%	0.335	S	S	*	.			trans	-68.2	-3.9	170.2	-66.1	-173.3	164.6	0	0	113.3	A203	E201-A203 PolarHBondContact O-N 2.91Å
202	D	71.4	Confident	77.8	Confident	84 Å²	84	61.8 Å²	61.8	45%	0.449	32%	0.322	S	S	.	.			trans	-80.9	112.7	-175.9	-177.9	2.4	0	0	0	111.8	N200 A204 H205	N200-D202 PolarHBondContact O-N 3.46Å; D202-A204 PolarHBondContact O-N 3.45Å; D202-A204 VanDerWaalsContact O-N 3.09Å; D202-A204 VanDerWaalsContact OD1-CB 3.27Å; D202-A204 WeakPolarHBondContact OD1-CB 3.44Å; D202-A204 PolarHBondContact OD1-N 3.32Å; D202-H205 PolarHBondContact O-N 3.07Å; D202-H205 IonicContact OD2-CD2 2.77Å
203	A	75	Confident	78.2	Confident	64 Å²	64	58.4 Å²	58.4	53%	0.529	31%	0.309	S	S	.	.	H	α-helix	trans	-55.1	-25.6	177	0	0	0	0	0	113.4	E201 H205 V206 L207	E201-A203 PolarHBondContact O-N 2.91Å; A203-H205 VanDerWaalsContact C-N 3.33Å; A203-H205 PolarHBondContact O-N 3.42Å; A203-V206 PolarHBondContact O-N 2.8Å; A203-L207 WeakPolarHBondContact O-CG 3.3Å; A203-L207 PolarHBondContact O-N 3.28Å; A203-L207 VanDerWaalsContact O-N 3.09Å
204	A	76.4	Confident	78.5	Confident	24 Å²	24	59 Å²	59	20%	0.198	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-37.4	176.1	0	0	0	0	0	112.1	L169 D202 V206 L207 A208	L169-A204 HydrophobicContact CD1-CB 4.48Å; L169-A204 HydrophobicContact CD2-CB 4.33Å; L169-A204 WeakPolarHBondContact CD2-O 3.44Å; D202-A204 PolarHBondContact O-N 3.45Å; D202-A204 VanDerWaalsContact O-N 3.09Å; D202-A204 VanDerWaalsContact OD1-CB 3.27Å; D202-A204 WeakPolarHBondContact OD1-CB 3.44Å; D202-A204 PolarHBondContact OD1-N 3.32Å; A204-V206 VanDerWaalsContact C-N 3.33Å; A204-V206 PolarHBondContact O-N 3.25Å; A204-L207 PolarHBondContact O-N 3.48Å; A204-A208 VanDerWaalsContact O-CB 3.3Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 3.2Å
205	H	76.3	Confident	78.7	Confident	32 Å²	32	64.7 Å²	64.7	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-71.1	-29.2	178.5	-79.2	-80.3	0	0	0	113.1	H177 D202 A203	H177-H205 AromaticContact CD2-CE1 3.58Å; D202-H205 PolarHBondContact O-N 3.07Å; D202-H205 IonicContact OD2-CD2 2.77Å; A203-H205 VanDerWaalsContact C-N 3.33Å; A203-H205 PolarHBondContact O-N 3.42Å
206	V	75.8	Confident	79.1	Confident	66 Å²	66	63.2 Å²	63.2	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-73	-37.9	175.3	178.8	0	0	0	0	111.1	V196 A203 A204 L232	V196-V206 HydrophobicContact CG1-CG2 4.3Å; A203-V206 PolarHBondContact O-N 2.8Å; A204-V206 VanDerWaalsContact C-N 3.33Å; A204-V206 PolarHBondContact O-N 3.25Å; V206-L232 HydrophobicContact CG1-CD2 4.01Å
207	L	78.4	Confident	79.6	Confident	81 Å²	81	65 Å²	65	42%	0.424	35%	0.347	S	S	.	.	H	α-helix	trans	-81.4	-19.4	179	-69.8	173.2	0	0	0	113.8	L169 P170 A203 A204 E209	L169-L207 HydrophobicContact CD2-CB 4.07Å; P170-L207 WeakPolarHBondContact CD-O 3.35Å; A203-L207 WeakPolarHBondContact O-CG 3.3Å; A203-L207 PolarHBondContact O-N 3.28Å; A203-L207 VanDerWaalsContact O-N 3.09Å; A204-L207 PolarHBondContact O-N 3.48Å; L207-E209 PolarHBondContact O-N 3.34Å
208	A	86.1	Confident	80.5	Confident	2 Å²	2	59.1 Å²	59.1	2%	0.017	32%	0.319	C	S	.	.			trans	-66.6	130.4	-178	0	0	0	0	0	112.3	L167 A168 L169 L175 A204	L167-A208 HydrophobicContact CD1-CB 3.75Å; L167-A208 HydrophobicContact CD2-CB 4.1Å; L167-A208 HydrophobicContact CG-CB 3.78Å; A168-A208 CarbonylContact O-C 3.58Å; A168-A208 WeakPolarHBondContact O-CA 3.49Å; L169-A208 HydrophobicContact CD2-CB 4.36Å; L175-A208 HydrophobicContact CD1-CB 3.41Å; L175-A208 VanDerWaalsContact CD1-CB 3.41Å; A204-A208 VanDerWaalsContact O-CB 3.3Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 3.2Å
209	E	88.5	Confident	82.3	Confident	7 Å²	7	51.9 Å²	51.9	3%	0.033	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.8	174.3	67.3	-177.6	173.9	0	0	111.4	R154 A168 L207 E211	R154-E209 HydrophobicContact CB-CB 4.11Å; R154-E209 HydrophobicContact CG-CB 4.46Å; R154-E209 IonicContact CZ-OE2 3.78Å; R154-E209 IonicContact NE-OE2 3.56Å; R154-E209 PolarHBondContact NE-OE2 3.13Å; R154-E209 VanDerWaalsContact NH2-CD 3.27Å; R154-E209 IonicContact NH2-OE1 3.51Å; R154-E209 IonicContact NH2-OE2 2.99Å; R154-E209 PolarHBondContact NH2-OE2 2.83Å; R154-E209 WeakPolarHBondContact O-CA 3.25Å; R154-E209 WeakPolarHBondContact O-CB 3.4Å; A168-E209 PolarHBondContact N-O 3.01Å; A168-E209 PolarHBondContact O-N 3.37Å; L207-E209 PolarHBondContact O-N 3.34Å; E209-E211 HydrophobicContact CG-CG 4.14Å; E209-E211 PolarHBondContact O-N 3.12Å
210	L	91.9	Very high	84	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.3	170.7	-163.1	73	0	0	0	108.6	R153 R154 L155 R156 V165 L167 L179 I189 L194 V212	R153-L210 HydrophobicContact CG-CB 4.33Å; R154-L210 PolarHBondContact O-N 2.93Å; L155-L210 WeakPolarHBondContact CA-O 3.31Å; L155-L210 HydrophobicContact CD2-CB 3.74Å; L155-L210 HydrophobicContact CD2-CD2 4.09Å; R156-L210 PolarHBondContact N-O 3.01Å; V165-L210 HydrophobicContact CG1-CD1 3.6Å; V165-L210 HydrophobicContact CG1-CD2 3.99Å; V165-L210 HydrophobicContact CG1-CG 3.8Å; L167-L210 HydrophobicContact CD1-CD1 4.39Å; L179-L210 HydrophobicContact CD1-CD1 4.29Å; I189-L210 HydrophobicContact CG2-CD2 4.01Å; L194-L210 HydrophobicContact CD2-CD2 3.7Å; L210-V212 HydrophobicContact CD2-CG2 4.29Å; L210-V212 HydrophobicContact CG-CG2 4.36Å
211	E	92.6	Very high	85.7	Confident	46 Å²	46	47.4 Å²	47.4	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124	173.3	-66.5	-169	154.4	0	0	109.9	R156 V165 S166 A168 E209	R156-E211 HydrophobicContact CB-CG 4.5Å; R156-E211 CarbonylContact O-C 3.59Å; R156-E211 WeakPolarHBondContact O-CA 3.3Å; V165-E211 WeakPolarHBondContact CA-O 3.32Å; S166-E211 PolarHBondContact N-O 3.04Å; S166-E211 PolarHBondContact O-N 2.82Å; A168-E211 HydrophobicContact CB-CG 4.03Å; E209-E211 HydrophobicContact CG-CG 4.14Å; E209-E211 PolarHBondContact O-N 3.12Å
212	V	93.8	Very high	87.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	106.1	178.4	-174.4	0	0	0	0	107.9	R156 F157 T158 V165 I189 L210	R156-V212 PolarHBondContact O-N 3.01Å; F157-V212 CarbonylContact C-O 3.52Å; F157-V212 VanDerWaalsContact CA-O 3.3Å; F157-V212 WeakPolarHBondContact CA-O 3.48Å; F157-V212 HydrophobicContact CD1-CB 3.73Å; F157-V212 HydrophobicContact CD1-CG1 3.8Å; F157-V212 HydrophobicContact CD1-CG2 4.47Å; F157-V212 HydrophobicContact CE1-CB 3.68Å; F157-V212 HydrophobicContact CE1-CG1 3.57Å; F157-V212 HydrophobicContact CE1-CG2 4.01Å; F157-V212 HydrophobicContact CE2-CG2 4.32Å; F157-V212 HydrophobicContact CG-CB 4.2Å; F157-V212 HydrophobicContact CZ-CB 4.09Å; F157-V212 HydrophobicContact CZ-CG1 4.31Å; F157-V212 HydrophobicContact CZ-CG2 3.92Å; T158-V212 PolarHBondContact N-O 3.21Å; V165-V212 HydrophobicContact CG1-CG2 4.48Å; I189-V212 HydrophobicContact CD1-CB 4.42Å; I189-V212 HydrophobicContact CD1-CG1 4.02Å; I189-V212 HydrophobicContact CD1-CG2 3.54Å; L210-V212 HydrophobicContact CD2-CG2 4.29Å; L210-V212 HydrophobicContact CG-CG2 4.36Å
213	T	93.4	Very high	88.6	Confident	34 Å²	34	35 Å²	35	21%	0.209	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.2	169.6	57.3	0	0	0	0	108.2	T158 T163 R164	T158-T213 WeakPolarHBondContact O-CA 3.46Å; T158-T213 VanDerWaalsContact OG1-CG2 3.24Å; T158-T213 WeakPolarHBondContact OG1-CG2 3.47Å; T163-T213 CarbonylContact C-O 3.59Å; T163-T213 WeakPolarHBondContact CA-O 3.49Å; R164-T213 VanDerWaalsContact CB-OG1 3.3Å; R164-T213 WeakPolarHBondContact CB-OG1 3.49Å; R164-T213 PolarHBondContact N-O 3.5Å; R164-T213 PolarHBondContact N-OG1 3.12Å; R164-T213 PolarHBondContact O-N 3.02Å; R164-T213 PolarHBondContact O-OG1 3.35Å; R164-T213 VanDerWaalsContact O-OG1 3.07Å
214	M	94.2	Very high	89.6	Confident	21 Å²	21	31.9 Å²	31.9	10%	0.103	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	159.9	174.8	66.7	179.4	-63.8	0	0	113.3	L134 V136 V138 F157 T158 G160 T163 H216 L219	L134-M214 HydrophobicContact CD1-SD 4.42Å; V136-M214 HydrophobicContact CG2-CE 4.29Å; V138-M214 HydrophobicContact CG2-CE 4.04Å; V138-M214 HydrophobicContact CG2-SD 4.2Å; F157-M214 HydrophobicContact CD1-SD 4.19Å; F157-M214 HydrophobicContact CE1-SD 4.49Å; T158-M214 PolarHBondContact O-N 3.3Å; G160-M214 PolarHBondContact N-O 3.31Å; G160-M214 CarbonylContact O-C 3.52Å; G160-M214 VanDerWaalsContact O-C 3.26Å; T163-M214 HydrophobicContact CG2-CB 4.23Å; M214-H216 HydrophobicContact CG-CB 4.41Å; M214-H216 PolarHBondContact O-N 3.37Å; M214-L219 HydrophobicContact CG-CD1 3.43Å; M214-L219 VanDerWaalsContact CG-CD1 3.43Å; M214-L219 HydrophobicContact SD-CD1 4.12Å
215	H	93.7	Very high	90.4	Very high	119 Å²	119	30.9 Å²	30.9	55%	0.551	16%	0.163	S	C	*	.			trans	-80.1	98.2	177.7	-171.3	70.4	0	0	0	110.9	Y159 G160	Y159-H215 AromaticContact CE2-ND1 3.55Å; Y159-H215 AromaticContact CZ-ND1 3.82Å; Y159-H215 PolarHBondContact OH-CE1 2.89Å; Y159-H215 PolarHBondContact OH-ND1 3.29Å; G160-H215 WeakPolarHBondContact O-CA 3.47Å; G160-H215 PolarHBondContact O-N 3.08Å
216	H	94.1	Very high	91.2	Very high	22 Å²	22	29.4 Å²	29.4	10%	0.102	16%	0.156	C	C	.	.			trans	-146.5	138.1	179.4	-171.5	-99.9	0	0	0	112.3	L134 M214 L218 L219 Q220	L134-H216 PolarHBondContact O-NE2 2.81Å; M214-H216 HydrophobicContact CG-CB 4.41Å; M214-H216 PolarHBondContact O-N 3.37Å; H216-L218 VanDerWaalsContact CE1-CB 3.44Å; H216-L218 WeakPolarHBondContact CE1-CB 3.47Å; H216-L218 WeakPolarHBondContact ND1-CB 3.06Å; H216-L218 PolarHBondContact ND1-N 3.43Å; H216-L218 PolarHBondContact O-N 3.02Å; H216-L219 HydrophobicContact CB-CB 4.25Å; H216-L219 HydrophobicContact CB-CD1 3.91Å; H216-L219 HydrophobicContact CB-CG 3.96Å; H216-L219 PolarHBondContact O-N 3Å; H216-L219 VanDerWaalsContact O-N 3.17Å; H216-Q220 PolarHBondContact O-N 3.49Å
217	A	92.1	Very high	91.9	Very high	51 Å²	51	26.3 Å²	26.3	42%	0.421	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-36	-174.3	0	0	0	0	0	113.6	C30	C30-A217 PolarHBondContact SG-O 3Å; C30-A217 VanDerWaalsContact SG-O 3.37Å
218	L	93.1	Very high	92.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-39.7	175.8	-174.7	60.2	0	0	0	111.6	I26 L29 I116 L133 H216 Q220 E221 V222	I26-L218 HydrophobicContact CG2-CB 4.34Å; L29-L218 HydrophobicContact CB-CD1 3.61Å; L29-L218 HydrophobicContact CD1-CD1 4.32Å; L29-L218 HydrophobicContact CD1-CD2 4.32Å; I116-L218 HydrophobicContact CD1-CD2 4.42Å; L133-L218 HydrophobicContact CD1-CD2 4.05Å; L133-L218 HydrophobicContact CD2-CD2 4.33Å; L133-L218 HydrophobicContact CG-CD2 3.9Å; H216-L218 VanDerWaalsContact CE1-CB 3.44Å; H216-L218 WeakPolarHBondContact CE1-CB 3.47Å; H216-L218 WeakPolarHBondContact ND1-CB 3.06Å; H216-L218 PolarHBondContact ND1-N 3.43Å; H216-L218 PolarHBondContact O-N 3.02Å; L218-Q220 PolarHBondContact O-N 2.67Å; L218-E221 PolarHBondContact O-N 2.9Å; L218-V222 HydrophobicContact CD1-CG1 3.7Å; L218-V222 HydrophobicContact CG-CG1 3.83Å; L218-V222 PolarHBondContact O-N 3.39Å
219	L	94.4	Very high	92.3	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.3	-175.7	-61.7	-179.2	0	0	0	112.3	L134 F157 Y159 M214 H216 E221 V222 V224	L134-L219 HydrophobicContact CD2-CD2 4.28Å; L134-L219 HydrophobicContact CD2-CG 4.39Å; F157-L219 HydrophobicContact CB-CD1 4.22Å; F157-L219 HydrophobicContact CB-CD2 4.01Å; Y159-L219 WeakPolarHBondContact CB-O 3.28Å; M214-L219 HydrophobicContact CG-CD1 3.43Å; M214-L219 VanDerWaalsContact CG-CD1 3.43Å; M214-L219 HydrophobicContact SD-CD1 4.12Å; H216-L219 HydrophobicContact CB-CB 4.25Å; H216-L219 HydrophobicContact CB-CD1 3.91Å; H216-L219 HydrophobicContact CB-CG 3.96Å; H216-L219 PolarHBondContact O-N 3Å; H216-L219 VanDerWaalsContact O-N 3.17Å; L219-E221 PolarHBondContact O-N 2.89Å; L219-V222 WeakPolarHBondContact CA-O 3.43Å; L219-V224 HydrophobicContact CD2-CB 4.41Å; L219-V224 HydrophobicContact CD2-CG2 3.82Å
220	Q	91.8	Very high	91.7	Very high	84 Å²	84	25.2 Å²	25.2	39%	0.393	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.3	169.5	-69.9	-179.2	-8.9	0	0	112.2	R37 Y159 H216 L218	R37-Q220 PolarHBondContact NH1-O 3.44Å; Y159-Q220 HydrophobicContact CD1-CG 4.21Å; Y159-Q220 HydrophobicContact CD2-CB 4.32Å; Y159-Q220 HydrophobicContact CD2-CG 3.27Å; Y159-Q220 HydrophobicContact CE1-CG 4.18Å; Y159-Q220 HydrophobicContact CE2-CG 3.25Å; Y159-Q220 VanDerWaalsContact CE2-NE2 3.28Å; Y159-Q220 HydrophobicContact CG-CG 3.77Å; Y159-Q220 PolarHBondContact OH-NE2 2.96Å; Y159-Q220 VanDerWaalsContact OH-NE2 3.16Å; H216-Q220 PolarHBondContact O-N 3.49Å; L218-Q220 PolarHBondContact O-N 2.67Å
221	E	91.3	Very high	90.8	Very high	51 Å²	51	28.9 Å²	28.9	24%	0.238	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-26.6	-172.8	-62.6	-66.3	173.2	0	0	113.5	C30 F33 G34 R37 L218 L219	C30-E221 HydrophobicContact CB-CG 4.21Å; F33-E221 HydrophobicContact CB-CB 3.88Å; G34-E221 WeakPolarHBondContact CA-OE2 3.3Å; G34-E221 PolarHBondContact N-OE2 2.95Å; R37-E221 PolarHBondContact NE-O 3.17Å; R37-E221 PolarHBondContact NH2-O 2.97Å; L218-E221 PolarHBondContact O-N 2.9Å; L219-E221 PolarHBondContact O-N 2.89Å
222	V	94.1	Very high	90.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.			trans	-155.5	137.4	-175.6	67.9	0	0	0	0	112.5	F33 P114 I116 L218 L219	F33-V222 HydrophobicContact CD1-CB 3.83Å; F33-V222 HydrophobicContact CD1-CG1 4.48Å; F33-V222 HydrophobicContact CD1-CG2 3.78Å; F33-V222 HydrophobicContact CD2-CB 4.11Å; F33-V222 HydrophobicContact CD2-CG1 3.9Å; F33-V222 HydrophobicContact CE1-CB 4Å; F33-V222 HydrophobicContact CE1-CG1 4.47Å; F33-V222 HydrophobicContact CE1-CG2 3.5Å; F33-V222 VanDerWaalsContact CE1-CG2 3.5Å; F33-V222 HydrophobicContact CE2-CB 4.29Å; F33-V222 HydrophobicContact CE2-CG1 3.92Å; F33-V222 HydrophobicContact CE2-CG2 4.35Å; F33-V222 HydrophobicContact CG-CB 3.91Å; F33-V222 HydrophobicContact CG-CG1 4.22Å; F33-V222 HydrophobicContact CG-CG2 4.33Å; F33-V222 HydrophobicContact CZ-CB 4.24Å; F33-V222 HydrophobicContact CZ-CG1 4.22Å; F33-V222 HydrophobicContact CZ-CG2 3.83Å; P114-V222 WeakPolarHBondContact O-CG2 3.28Å; I116-V222 HydrophobicContact CD1-CG1 3.92Å; I116-V222 HydrophobicContact CG1-CG1 4.29Å; I116-V222 HydrophobicContact CG1-CG2 4.06Å; L218-V222 HydrophobicContact CD1-CG1 3.7Å; L218-V222 HydrophobicContact CG-CG1 3.83Å; L218-V222 PolarHBondContact O-N 3.39Å; L219-V222 WeakPolarHBondContact CA-O 3.43Å
223	D	93.3	Very high	89.4	Confident	28 Å²	28	31.8 Å²	31.8	15%	0.15	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	142.1	170.6	-71.6	9.9	0	0	0	109.6	C115 I116 R156	C115-D223 CarbonylContact C-O 3.59Å; C115-D223 WeakPolarHBondContact CA-O 3.43Å; C115-D223 HydrophobicContact CB-CB 4.45Å; I116-D223 PolarHBondContact N-O 3.34Å; R156-D223 IonicContact CZ-OD2 3.71Å; R156-D223 IonicContact NE-OD2 3.89Å; R156-D223 PolarHBondContact NE-OD2 3.31Å; R156-D223 IonicContact NH2-OD2 2.85Å; R156-D223 PolarHBondContact NH2-OD2 3.02Å
224	V	95.6	Very high	88.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.5	173.9	-172.4	0	0	0	0	109.3	I116 I118 L130 L133 F157 L219	I116-V224 HydrophobicContact CB-CG1 4.3Å; I116-V224 HydrophobicContact CB-CG2 4.29Å; I116-V224 HydrophobicContact CD1-CG2 4.47Å; I116-V224 HydrophobicContact CG2-CG1 4.36Å; I116-V224 CarbonylContact O-C 3.53Å; I116-V224 WeakPolarHBondContact O-CA 3.41Å; I118-V224 HydrophobicContact CD1-CG1 3.87Å; I118-V224 HydrophobicContact CG1-CG1 4.38Å; L130-V224 HydrophobicContact CD1-CB 4.15Å; L130-V224 HydrophobicContact CD1-CG1 3.43Å; L130-V224 VanDerWaalsContact CD1-CG1 3.43Å; L133-V224 HydrophobicContact CD2-CG1 4.03Å; L133-V224 HydrophobicContact CD2-CG2 4.12Å; F157-V224 HydrophobicContact CB-CB 4.31Å; F157-V224 PolarHBondContact N-O 3.37Å; F157-V224 PolarHBondContact O-N 3.22Å; F157-V224 VanDerWaalsContact O-N 3.08Å; L219-V224 HydrophobicContact CD2-CB 4.41Å; L219-V224 HydrophobicContact CD2-CG2 3.82Å
225	V	93.5	Very high	88.4	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.3	-179.9	-178	0	0	0	0	108.8	I116 L117 I118 R154 L155 R156 L242	I116-V225 PolarHBondContact O-N 3.25Å; L117-V225 CarbonylContact C-O 3.55Å; L117-V225 WeakPolarHBondContact CA-O 3.44Å; L117-V225 HydrophobicContact CD1-CB 4.03Å; L117-V225 HydrophobicContact CD1-CG1 3.9Å; I118-V225 PolarHBondContact N-O 3.04Å; R154-V225 HydrophobicContact CG-CG1 4.03Å; L155-V225 CarbonylContact O-C 3.52Å; L155-V225 WeakPolarHBondContact O-CA 2.88Å; R156-V225 HydrophobicContact CG-CG2 4.31Å; V225-L242 HydrophobicContact CG1-CD1 4.22Å; V225-L242 HydrophobicContact CG2-CD2 4.5Å
226	V	93.7	Very high	88.1	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.2	171.3	-174.2	0	0	0	0	108	I118 K126 L130 L152 L155	I118-V226 HydrophobicContact CB-CG2 4.39Å; I118-V226 HydrophobicContact CD1-CG2 4.34Å; K126-V226 HydrophobicContact CB-CG1 3.89Å; K126-V226 HydrophobicContact CD-CG1 4.26Å; L130-V226 HydrophobicContact CB-CG2 4.41Å; L130-V226 HydrophobicContact CD1-CG2 4.3Å; L130-V226 HydrophobicContact CD2-CG2 4.11Å; L152-V226 HydrophobicContact CD2-CG1 4.41Å; L155-V226 HydrophobicContact CB-CB 4.06Å; L155-V226 HydrophobicContact CB-CG2 4.42Å; L155-V226 HydrophobicContact CD1-CB 4.29Å; L155-V226 HydrophobicContact CD1-CG2 4.47Å; L155-V226 HydrophobicContact CG-CB 4.31Å; L155-V226 PolarHBondContact N-O 3.18Å; L155-V226 PolarHBondContact O-N 3.28Å
227	A	91	Very high	87.7	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.017	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-66.7	146.9	179.3	0	0	0	0	0	111.4	L117 I118 L119 K126 V238	L117-A227 HydrophobicContact CD1-CB 4.45Å; I118-A227 PolarHBondContact O-N 3.27Å; L119-A227 HydrophobicContact CD2-CB 3.4Å; L119-A227 VanDerWaalsContact CD2-CB 3.4Å; K126-A227 PolarHBondContact NZ-O 3.29Å; A227-V238 HydrophobicContact CB-CG1 4.39Å
228	P	89.1	Confident	87.2	Confident	12 Å²	12	28.1 Å²	28.1	8%	0.078	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-62	173.9	175.7	29.3	-36.1	0	0	0	111.6	K126 L152 L232 R233 V238	K126-P228 PolarHBondContact NZ-O 3.05Å; L152-P228 CarbonylContact O-C 3.55Å; L152-P228 VanDerWaalsContact O-CA 3.25Å; L152-P228 WeakPolarHBondContact O-CA 3.26Å; L152-P228 WeakPolarHBondContact O-CB 3.35Å; P228-L232 HydrophobicContact CB-CB 4.49Å; P228-R233 HydrophobicContact CG-CB 4.39Å; P228-V238 HydrophobicContact CG-CG2 3.79Å
229	C	83.6	Confident	86.9	Confident	11 Å²	11	28.1 Å²	28.1	7%	0.074	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-57.8	143.7	167.5	-62.8	0	0	0	0	111.7	C123 C150 L152 G231 L232 R233	C123-C229 PolarHBondContact SG-SG 2.81Å; C150-C229 PolarHBondContact O-SG 3.5Å; C150-C229 PolarHBondContact SG-SG 2.86Å; L152-C229 VanDerWaalsContact CB-SG 3.52Å; L152-C229 PolarHBondContact N-SG 3.04Å; L152-C229 PolarHBondContact O-N 3.04Å; C229-G231 PolarHBondContact O-N 3.18Å; C229-G231 VanDerWaalsContact O-N 3.16Å; C229-L232 HydrophobicContact CB-CD1 3.97Å; C229-L232 PolarHBondContact O-N 2.71Å; C229-R233 PolarHBondContact O-N 2.91Å
230	Q	74.6	Confident	86.4	Confident	43 Å²	43	29.3 Å²	29.3	20%	0.201	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.3	174.8	-68.6	169	-8.1	0	0	112.2	L232 E266	Q230-L232 VanDerWaalsContact C-N 3.3Å; Q230-L232 PolarHBondContact O-N 2.91Å; Q230-E266 PolarHBondContact NE2-OE2 3.12Å
231	G	73.8	Confident	86	Confident	77 Å²	77	28 Å²	28	79%	0.794	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.1	179.4	0	0	0	0	0	115.4	C229	C229-G231 PolarHBondContact O-N 3.18Å; C229-G231 VanDerWaalsContact O-N 3.16Å
232	L	78.3	Confident	85.5	Confident	44 Å²	44	26 Å²	26	23%	0.23	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-44.9	178.2	-99.5	132.5	0	0	0	112	K151 V196 V206 P228 C229 Q230	K151-L232 VanDerWaalsContact CA-CD1 3.41Å; K151-L232 HydrophobicContact CB-CD1 3.82Å; K151-L232 HydrophobicContact CG-CD1 4.24Å; K151-L232 WeakPolarHBondContact O-CD1 3.48Å; V196-L232 HydrophobicContact CB-CD2 4.23Å; V196-L232 HydrophobicContact CG2-CD2 3.73Å; V206-L232 HydrophobicContact CG1-CD2 4.01Å; P228-L232 HydrophobicContact CB-CB 4.49Å; C229-L232 HydrophobicContact CB-CD1 3.97Å; C229-L232 PolarHBondContact O-N 2.71Å; Q230-L232 VanDerWaalsContact C-N 3.3Å; Q230-L232 PolarHBondContact O-N 2.91Å
233	R	78.3	Confident	84.8	Confident	64 Å²	64	28 Å²	28	24%	0.242	18%	0.176	C	C	.	.	S	Bend	trans	-153.9	137.4	179.8	-158.1	174.9	173.2	-156.3	-9	110.6	P228 C229 D237 D241	P228-R233 HydrophobicContact CG-CB 4.39Å; C229-R233 PolarHBondContact O-N 2.91Å; R233-D237 HydrophobicContact CG-CB 4.33Å; R233-D241 IonicContact CZ-OD1 3.76Å; R233-D241 IonicContact CZ-OD2 3.14Å; R233-D241 VanDerWaalsContact CZ-OD2 3.22Å; R233-D241 IonicContact NH1-OD2 2.77Å; R233-D241 PolarHBondContact NH1-OD2 3.04Å; R233-D241 VanDerWaalsContact NH2-CG 3.34Å; R233-D241 IonicContact NH2-OD1 2.68Å; R233-D241 PolarHBondContact NH2-OD1 2.88Å; R233-D241 IonicContact NH2-OD2 2.66Å; R233-D241 PolarHBondContact NH2-OD2 2.75Å
234	P	83.2	Confident	83.9	Confident	65 Å²	65	32.4 Å²	32.4	42%	0.422	20%	0.199	S	C	.	.			trans	-57.9	138.6	175.9	-24.1	33.6	0	0	0	112.4	V236 D237 V238	P234-V236 PolarHBondContact O-N 2.85Å; P234-D237 WeakPolarHBondContact CD-OD2 3.47Å; P234-D237 WeakPolarHBondContact O-CB 3.45Å; P234-D237 PolarHBondContact O-N 3.26Å; P234-V238 PolarHBondContact O-N 3.42Å
235	T	84.6	Confident	83.1	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.055	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-29.4	-178.5	-57.9	0	0	0	0	113	L119 D237 V238 L239 E266 I270	L119-T235 HydrophobicContact CD1-CG2 3.81Å; L119-T235 HydrophobicContact CD2-CG2 3.62Å; L119-T235 HydrophobicContact CG-CG2 4.33Å; T235-D237 VanDerWaalsContact C-N 3.31Å; T235-D237 PolarHBondContact O-N 3.02Å; T235-V238 PolarHBondContact O-N 2.95Å; T235-L239 HydrophobicContact CG2-CD1 4.22Å; T235-L239 WeakPolarHBondContact O-CB 3.39Å; T235-L239 WeakPolarHBondContact O-CG 3.43Å; T235-L239 PolarHBondContact O-N 3.02Å; T235-E266 VanDerWaalsContact CB-OE1 3.26Å; T235-E266 WeakPolarHBondContact CB-OE1 3.36Å; T235-E266 HydrophobicContact CG2-CG 4.5Å; T235-E266 WeakPolarHBondContact CG2-OE1 3.31Å; T235-E266 PolarHBondContact OG1-OE1 2.82Å; T235-I270 HydrophobicContact CG2-CD1 3.78Å; T235-I270 HydrophobicContact CG2-CG1 4.18Å
236	V	86.1	Confident	82.7	Confident	21 Å²	21	38.6 Å²	38.6	13%	0.127	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-40.5	174	178.3	0	0	0	0	111.5	P234 L239 G240 E269 Y273 F274	P234-V236 PolarHBondContact O-N 2.85Å; V236-L239 PolarHBondContact O-N 2.89Å; V236-G240 PolarHBondContact O-N 3.07Å; V236-E269 HydrophobicContact CG2-CB 3.62Å; V236-Y273 HydrophobicContact CB-CD2 4.44Å; V236-Y273 HydrophobicContact CG1-CD2 3.57Å; V236-Y273 HydrophobicContact CG1-CE2 4.12Å; V236-Y273 HydrophobicContact CG1-CG 3.97Å; V236-Y273 HydrophobicContact CG2-CD2 3.94Å; V236-Y273 HydrophobicContact CG2-CE2 4.43Å; V236-F274 HydrophobicContact CG1-CE2 3.95Å
237	D	85.3	Confident	82.4	Confident	73 Å²	73	39.3 Å²	39.3	39%	0.39	24%	0.235	S	C	.	.	H	α-helix	trans	-69.5	-41	179	-62.9	-19.7	0	0	0	110.6	R233 P234 T235 L239 G240 D241	R233-D237 HydrophobicContact CG-CB 4.33Å; P234-D237 WeakPolarHBondContact CD-OD2 3.47Å; P234-D237 WeakPolarHBondContact O-CB 3.45Å; P234-D237 PolarHBondContact O-N 3.26Å; T235-D237 VanDerWaalsContact C-N 3.31Å; T235-D237 PolarHBondContact O-N 3.02Å; D237-L239 VanDerWaalsContact C-N 3.33Å; D237-L239 PolarHBondContact O-N 2.8Å; D237-G240 PolarHBondContact O-N 2.81Å; D237-D241 PolarHBondContact O-N 2.92Å
238	V	83.2	Confident	82.4	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-43.9	175.4	179.1	0	0	0	0	110.9	A227 P228 P234 T235 L242	A227-V238 HydrophobicContact CB-CG1 4.39Å; P228-V238 HydrophobicContact CG-CG2 3.79Å; P234-V238 PolarHBondContact O-N 3.42Å; T235-V238 PolarHBondContact O-N 2.95Å; V238-L242 HydrophobicContact CG1-CD1 4.13Å; V238-L242 VanDerWaalsContact O-CG 3.31Å; V238-L242 WeakPolarHBondContact O-CG 3.25Å; V238-L242 PolarHBondContact O-N 2.66Å
239	L	85.5	Confident	82.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-40.1	174	-79.1	167.2	0	0	0	111.9	L117 T235 V236 D237 D241 L242 V243 I250 I270 F274	L117-L239 HydrophobicContact CD2-CD2 3.29Å; L117-L239 HydrophobicContact CD2-CG 4.12Å; T235-L239 HydrophobicContact CG2-CD1 4.22Å; T235-L239 WeakPolarHBondContact O-CB 3.39Å; T235-L239 WeakPolarHBondContact O-CG 3.43Å; T235-L239 PolarHBondContact O-N 3.02Å; V236-L239 PolarHBondContact O-N 2.89Å; D237-L239 VanDerWaalsContact C-N 3.33Å; D237-L239 PolarHBondContact O-N 2.8Å; L239-D241 VanDerWaalsContact C-N 3.33Å; L239-D241 PolarHBondContact O-N 3.08Å; L239-L242 PolarHBondContact O-N 3.45Å; L239-L242 VanDerWaalsContact O-N 3.17Å; L239-V243 WeakPolarHBondContact O-CB 3.41Å; L239-V243 WeakPolarHBondContact O-CG2 3.39Å; L239-V243 PolarHBondContact O-N 2.82Å; L239-I250 HydrophobicContact CD2-CD1 3.87Å; L239-I250 HydrophobicContact CD2-CG1 4.45Å; L239-I270 HydrophobicContact CD1-CB 4.41Å; L239-I270 HydrophobicContact CD1-CD1 4.34Å; L239-I270 HydrophobicContact CD1-CG1 3.82Å; L239-I270 HydrophobicContact CD1-CG2 3.93Å; L239-F274 HydrophobicContact CB-CD2 4.04Å; L239-F274 HydrophobicContact CB-CE1 4.29Å; L239-F274 HydrophobicContact CB-CE2 3.44Å; L239-F274 VanDerWaalsContact CB-CE2 3.44Å; L239-F274 HydrophobicContact CB-CZ 3.59Å; L239-F274 HydrophobicContact CD1-CD2 3.81Å; L239-F274 HydrophobicContact CD1-CE2 3.96Å; L239-F274 HydrophobicContact CG-CE2 4.34Å
240	G	85.5	Confident	83.2	Confident	27 Å²	27	38.2 Å²	38.2	28%	0.278	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-42.2	177.9	0	0	0	0	0	112.5	V236 D237 N244	V236-G240 PolarHBondContact O-N 3.07Å; D237-G240 PolarHBondContact O-N 2.81Å; G240-N244 PolarHBondContact O-ND2 2.87Å
241	D	82.3	Confident	84.1	Confident	57 Å²	57	36.2 Å²	36.2	31%	0.305	22%	0.218	S	C	.	.	H	α-helix	trans	-62.5	-44.7	173.5	-68.8	-0.2	0	0	0	111.4	R154 R233 D237 L239	R154-D241 IonicContact NH1-OD2 2.7Å; R233-D241 IonicContact CZ-OD1 3.76Å; R233-D241 IonicContact CZ-OD2 3.14Å; R233-D241 VanDerWaalsContact CZ-OD2 3.22Å; R233-D241 IonicContact NH1-OD2 2.77Å; R233-D241 PolarHBondContact NH1-OD2 3.04Å; R233-D241 VanDerWaalsContact NH2-CG 3.34Å; R233-D241 IonicContact NH2-OD1 2.68Å; R233-D241 PolarHBondContact NH2-OD1 2.88Å; R233-D241 IonicContact NH2-OD2 2.66Å; R233-D241 PolarHBondContact NH2-OD2 2.75Å; D237-D241 PolarHBondContact O-N 2.92Å; L239-D241 VanDerWaalsContact C-N 3.33Å; L239-D241 PolarHBondContact O-N 3.08Å
242	L	80.5	Confident	85.2	Confident	10 Å²	10	32.5 Å²	32.5	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-77.3	-36.9	-172.1	-72.3	170.3	0	0	0	113.9	L117 V225 V238 L239 N244 D245 F246	L117-L242 HydrophobicContact CD1-CD1 3.73Å; L117-L242 HydrophobicContact CD2-CD1 4Å; L117-L242 HydrophobicContact CG-CD1 4.43Å; V225-L242 HydrophobicContact CG1-CD1 4.22Å; V225-L242 HydrophobicContact CG2-CD2 4.5Å; V238-L242 HydrophobicContact CG1-CD1 4.13Å; V238-L242 VanDerWaalsContact O-CG 3.31Å; V238-L242 WeakPolarHBondContact O-CG 3.25Å; V238-L242 PolarHBondContact O-N 2.66Å; L239-L242 PolarHBondContact O-N 3.45Å; L239-L242 VanDerWaalsContact O-N 3.17Å; L242-N244 PolarHBondContact O-N 2.94Å; L242-D245 PolarHBondContact O-N 3.08Å; L242-D245 VanDerWaalsContact O-N 3.13Å; L242-F246 HydrophobicContact CD2-CD2 3.85Å; L242-F246 HydrophobicContact CD2-CE2 4.24Å; L242-F246 WeakPolarHBondContact O-CA 3.18Å; L242-F246 WeakPolarHBondContact O-CB 3.06Å; L242-F246 PolarHBondContact O-N 2.88Å
243	V	79.6	Confident	85.9	Confident	41 Å²	41	30.4 Å²	30.4	25%	0.248	17%	0.169	C	C	.	.	H	α-helix	trans	-68.2	-19.2	-170.4	169.2	0	0	0	0	112.9	L239 P248 F274 F276	L239-V243 WeakPolarHBondContact O-CB 3.41Å; L239-V243 WeakPolarHBondContact O-CG2 3.39Å; L239-V243 PolarHBondContact O-N 2.82Å; V243-P248 HydrophobicContact CG2-CG 4.05Å; V243-F274 HydrophobicContact CB-CE1 4.38Å; V243-F274 HydrophobicContact CG2-CD1 4.21Å; V243-F274 HydrophobicContact CG2-CE1 4Å; V243-F276 HydrophobicContact CG1-CE2 4.2Å; V243-F276 HydrophobicContact CG1-CZ 4.11Å; V243-F276 HydrophobicContact CG2-CE2 3.63Å; V243-F276 HydrophobicContact CG2-CZ 4.07Å
244	N	75.4	Confident	86.5	Confident	120 Å²	120	27.4 Å²	27.4	64%	0.642	16%	0.158	S	C	*	.	H	α-helix	trans	-74.6	-35	174.3	-67.5	-45.3	0	0	0	112.5	C112 G240 L242	C112-N244 PolarHBondContact SG-O 3.42Å; G240-N244 PolarHBondContact O-ND2 2.87Å; L242-N244 PolarHBondContact O-N 2.94Å
245	D	78.8	Confident	86.7	Confident	107 Å²	107	26.4 Å²	26.4	57%	0.572	15%	0.147	S	C	*	.	H	α-helix	trans	-105.1	-23.4	-172.8	-62.7	-37.9	0	0	0	112.7	C112 L242	C112-D245 WeakPolarHBondContact CA-O 3.19Å; L242-D245 PolarHBondContact O-N 3.08Å; L242-D245 VanDerWaalsContact O-N 3.13Å
246	F	84.4	Confident	86.7	Confident	27 Å²	27	28.9 Å²	28.9	12%	0.118	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.2	-172.9	-57	-83	0	0	0	113.1	L113 C115 L242 P248	L113-F246 CarbonylContact O-C 3.6Å; L113-F246 WeakPolarHBondContact O-CA 3.22Å; C115-F246 HydrophobicContact CB-CB 4.18Å; C115-F246 HydrophobicContact CB-CD1 4.13Å; C115-F246 HydrophobicContact CB-CG 4.3Å; L242-F246 HydrophobicContact CD2-CD2 3.85Å; L242-F246 HydrophobicContact CD2-CE2 4.24Å; L242-F246 WeakPolarHBondContact O-CA 3.18Å; L242-F246 WeakPolarHBondContact O-CB 3.06Å; L242-F246 PolarHBondContact O-N 2.88Å; F246-P248 WeakPolarHBondContact O-CD 3.16Å
247	L	87.4	Confident	86.7	Confident	14 Å²	14	33.3 Å²	33.3	7%	0.073	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	101.1	164.7	175.2	61.2	0	0	0	109.3	Y36 L113 P114 C115 F276 L353 R356	Y36-L247 HydrophobicContact CE2-CD2 4.1Å; Y36-L247 WeakPolarHBondContact OH-CD2 3.36Å; L113-L247 PolarHBondContact O-N 3.23Å; P114-L247 WeakPolarHBondContact CA-O 3.35Å; C115-L247 PolarHBondContact N-O 3.17Å; L247-F276 HydrophobicContact CD1-CE1 4.16Å; L247-L353 HydrophobicContact CD2-CD2 3.83Å; L247-R356 HydrophobicContact CD1-CG 3.75Å; L247-R356 HydrophobicContact CD2-CB 3.94Å; L247-R356 HydrophobicContact CD2-CG 3.73Å; L247-R356 HydrophobicContact CG-CG 4.4Å
248	P	90.8	Very high	86.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.5	-176	30.7	-35.3	0	0	0	112.1	L117 V243 F246 I250 F276	L117-P248 HydrophobicContact CB-CB 4.21Å; L117-P248 HydrophobicContact CD2-CB 4.47Å; V243-P248 HydrophobicContact CG2-CG 4.05Å; F246-P248 WeakPolarHBondContact O-CD 3.16Å; P248-I250 HydrophobicContact CB-CG1 4.09Å; P248-I250 HydrophobicContact CG-CG1 4.37Å; P248-F276 HydrophobicContact CG-CD2 4.48Å; P248-F276 HydrophobicContact CG-CE1 4.44Å; P248-F276 HydrophobicContact CG-CE2 4.21Å; P248-F276 HydrophobicContact CG-CZ 4.19Å
249	V	94.1	Very high	87.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	99.3	157.6	-179.7	0	0	0	0	106.9	F33 C115 L117 T251 F348 V352 L353	F33-V249 HydrophobicContact CE1-CG2 4.23Å; F33-V249 HydrophobicContact CZ-CG2 4.16Å; C115-V249 PolarHBondContact O-N 3.22Å; L117-V249 PolarHBondContact N-O 3.45Å; V249-T251 PolarHBondContact O-N 2.81Å; V249-F348 HydrophobicContact CG1-CD1 3.96Å; V249-F348 HydrophobicContact CG1-CE1 3.8Å; V249-V352 HydrophobicContact CG2-CG1 4.5Å; V249-L353 HydrophobicContact CG2-CD2 4.38Å; V249-L353 HydrophobicContact CG2-CG 4.48Å
250	I	94.8	Very high	87.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.7	-173.5	-52.8	-179.6	0	0	0	110	L119 L239 P248 F276 V278 F279	L119-I250 HydrophobicContact CD1-CG2 3.62Å; L119-I250 HydrophobicContact CG-CG2 4.14Å; L239-I250 HydrophobicContact CD2-CD1 3.87Å; L239-I250 HydrophobicContact CD2-CG1 4.45Å; P248-I250 HydrophobicContact CB-CG1 4.09Å; P248-I250 HydrophobicContact CG-CG1 4.37Å; I250-F276 HydrophobicContact CD1-CB 3.59Å; I250-F276 HydrophobicContact CD1-CD2 4.03Å; I250-F276 HydrophobicContact CD1-CG 4.06Å; I250-F276 HydrophobicContact CG1-CB 4.41Å; I250-V278 HydrophobicContact CB-CG2 4.27Å; I250-V278 HydrophobicContact CG2-CG1 4.11Å; I250-V278 HydrophobicContact CG2-CG2 4.03Å; I250-F279 PolarHBondContact O-N 2.97Å
251	T	95.4	Very high	87.7	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.4	173.4	-52	0	0	0	0	109	L117 L119 L129 V249 F279	L117-T251 PolarHBondContact O-N 3.48Å; L119-T251 PolarHBondContact N-O 2.95Å; L129-T251 HydrophobicContact CD2-CG2 3.49Å; L129-T251 VanDerWaalsContact CD2-CG2 3.49Å; V249-T251 PolarHBondContact O-N 2.81Å; T251-F279 CarbonylContact C-O 3.59Å; T251-F279 WeakPolarHBondContact CA-O 3.36Å; T251-F279 HydrophobicContact CG2-CB 4.43Å; T251-F279 HydrophobicContact CG2-CD1 3.92Å; T251-F279 WeakPolarHBondContact CG2-O 3.38Å
252	Y	95.1	Very high	87.9	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.7	179.2	-161.5	-78.9	0	0	0	109.8	L119 Q121 L254 E266 L267 F279 F280 F281	L119-Y252 HydrophobicContact CB-CD2 3.56Å; L119-Y252 HydrophobicContact CB-CE2 4.02Å; L119-Y252 HydrophobicContact CB-CG 4.33Å; L119-Y252 HydrophobicContact CD1-CD2 4.28Å; L119-Y252 WeakPolarHBondContact O-CA 3.44Å; Q121-Y252 HydrophobicContact CG-CE1 4.14Å; Y252-L254 HydrophobicContact CD1-CD2 3.6Å; Y252-L254 HydrophobicContact CD1-CG 4.07Å; Y252-L254 HydrophobicContact CE1-CD2 3.61Å; Y252-E266 WeakPolarHBondContact CE2-OE2 3.3Å; Y252-E266 PolarHBondContact OH-OE2 2.86Å; Y252-L267 HydrophobicContact CD2-CD2 3.78Å; Y252-L267 HydrophobicContact CE2-CD2 3.76Å; Y252-L267 HydrophobicContact CE2-CG 4.22Å; Y252-L267 HydrophobicContact CG-CD2 4.39Å; Y252-F279 PolarHBondContact N-O 3.01Å; Y252-F280 AromaticContact CD1-CD1 3.99Å; Y252-F280 HydrophobicContact CD1-CD1 3.99Å; Y252-F280 HydrophobicContact CD1-CE1 4.17Å; Y252-F280 AromaticContact CG-CD1 3.99Å; Y252-F280 HydrophobicContact CG-CD1 3.99Å; Y252-F280 AromaticContact CG-CE1 3.95Å; Y252-F280 HydrophobicContact CG-CE1 3.95Å; Y252-F280 CarbonylContact O-C 3.56Å; Y252-F280 WeakPolarHBondContact O-CA 3.33Å; Y252-F281 PolarHBondContact O-N 2.87Å
253	A	93.4	Very high	88.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.1	-175	0	0	0	0	0	110.9	L119 G120 Q121 V125 L129 F281	L119-A253 WeakPolarHBondContact O-CB 3.38Å; L119-A253 PolarHBondContact O-N 2.93Å; G120-A253 WeakPolarHBondContact CA-O 3.34Å; Q121-A253 PolarHBondContact N-O 3.2Å; Q121-A253 VanDerWaalsContact N-O 3.17Å; V125-A253 HydrophobicContact CG1-CB 3.58Å; L129-A253 HydrophobicContact CB-CB 4.13Å; L129-A253 HydrophobicContact CD2-CB 3.66Å; A253-F281 WeakPolarHBondContact CA-O 3.48Å
254	L	91.5	Very high	89	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.9	-173.6	-60.8	167	0	0	0	110.2	Q121 Y252 L259 F280 F281 K282 V283 L305 L335	Q121-L254 HydrophobicContact CG-CD2 3.84Å; Y252-L254 HydrophobicContact CD1-CD2 3.6Å; Y252-L254 HydrophobicContact CD1-CG 4.07Å; Y252-L254 HydrophobicContact CE1-CD2 3.61Å; L254-L259 HydrophobicContact CD2-CD2 3.84Å; L254-F280 HydrophobicContact CD1-CB 3.95Å; L254-F280 HydrophobicContact CD1-CD1 4.25Å; L254-F281 PolarHBondContact N-O 3.17Å; L254-K282 HydrophobicContact CB-CB 4.47Å; L254-K282 HydrophobicContact CB-CG 4.46Å; L254-K282 CarbonylContact O-C 3.56Å; L254-K282 VanDerWaalsContact O-CA 3.3Å; L254-K282 WeakPolarHBondContact O-CA 3.48Å; L254-V283 PolarHBondContact O-N 3.41Å; L254-L305 HydrophobicContact CD1-CD1 3.95Å; L254-L305 HydrophobicContact CD1-CD2 3.64Å; L254-L305 HydrophobicContact CD1-CG 4.38Å; L254-L305 HydrophobicContact CD2-CD1 4.27Å; L254-L335 HydrophobicContact CD1-CD1 3.83Å
255	H	86.7	Confident	89.7	Confident	45 Å²	45	48.2 Å²	48.2	21%	0.208	23%	0.23	C	C	.	.			trans	-137.2	-24.4	166.9	73.2	-74.1	0	0	0	113.5	D122 V125	D122-H255 IonicContact OD2-CE1 3.78Å; D122-H255 PolarHBondContact OD2-CE1 2.64Å; D122-H255 IonicContact OD2-CG 2.96Å; D122-H255 IonicContact OD2-ND1 2.97Å; D122-H255 PolarHBondContact OD2-ND1 2.97Å; V125-H255 HydrophobicContact CG1-CB 4.5Å; V125-H255 HydrophobicContact CG2-CB 3.58Å
256	K	85.6	Confident	90.2	Very high	60 Å²	60	43.9 Å²	43.9	26%	0.261	21%	0.207	S	C	.	.	S	Bend	trans	-76.7	157.1	176.4	-61.3	174.7	-179	162	0	110	Q121 E147 E258	Q121-K256 VanDerWaalsContact OE1-N 3.14Å; E147-K256 VanDerWaalsContact CD-NZ 3.32Å; E147-K256 IonicContact OE1-NZ 2.54Å; E147-K256 PolarHBondContact OE1-NZ 3.03Å; E147-K256 IonicContact OE2-NZ 2.8Å; E147-K256 PolarHBondContact OE2-NZ 3.4Å; K256-E258 WeakPolarHBondContact CB-O 3.43Å
257	D	85.5	Confident	90.6	Very high	114 Å²	114	42.6 Å²	42.6	61%	0.61	20%	0.201	S	C	*	.	S	Bend	trans	-80.3	-3.5	174.1	-74.9	-56.4	0	0	0	113	K282 L305	D257-K282 IonicContact OD1-NZ 3.86Å; D257-K282 PolarHBondContact OD1-NZ 3.09Å; D257-L305 WeakPolarHBondContact O-CB 3.32Å; D257-L305 PolarHBondContact O-N 2.75Å
258	E	89.3	Confident	90.9	Very high	112 Å²	112	47 Å²	47	52%	0.523	22%	0.222	S	C	.	.	S	Bend	trans	-146.4	155	-177.4	64.1	-169.4	177	0	0	110.9	Q121 K256 L304	Q121-E258 PolarHBondContact NE2-O 3.47Å; K256-E258 WeakPolarHBondContact CB-O 3.43Å; E258-L304 HydrophobicContact CB-CD2 3.88Å; E258-L304 HydrophobicContact CB-CG 4.48Å
259	L	91.5	Very high	90.9	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.042	24%	0.242	C	C	.	.			trans	-85.7	136.1	169.5	-61	175.8	0	0	0	109.4	L254 D263 E264 L267 L305 Q308 L309 L312	L254-L259 HydrophobicContact CD2-CD2 3.84Å; L259-D263 HydrophobicContact CB-CB 4.07Å; L259-D263 HydrophobicContact CD2-CB 4.05Å; L259-E264 HydrophobicContact CB-CG 3.88Å; L259-E264 HydrophobicContact CD1-CG 4.4Å; L259-L267 HydrophobicContact CD1-CD1 3.87Å; L259-L267 HydrophobicContact CD2-CD1 4.32Å; L259-L305 HydrophobicContact CD2-CD1 4.26Å; L259-L305 HydrophobicContact CG-CD1 4.47Å; L259-Q308 HydrophobicContact CD1-CB 4.02Å; L259-Q308 PolarHBondContact O-NE2 2.95Å; L259-Q308 VanDerWaalsContact O-NE2 3.09Å; L259-L309 HydrophobicContact CD1-CD2 3.89Å; L259-L309 HydrophobicContact CD1-CG 4.32Å; L259-L312 HydrophobicContact CD1-CD1 3.76Å
260	S	90.6	Very high	90.7	Very high	43 Å²	43	51.4 Å²	51.4	30%	0.301	24%	0.242	S	C	.	.			trans	-76.2	164	170	67.6	0	0	0	0	111.3	R262 D263 E264	S260-R262 PolarHBondContact O-N 3.09Å; S260-R262 VanDerWaalsContact O-N 3.13Å; S260-D263 WeakPolarHBondContact CB-OD2 3.41Å; S260-D263 PolarHBondContact N-OD2 3.02Å; S260-D263 PolarHBondContact O-N 2.79Å; S260-D263 PolarHBondContact OG-N 2.9Å; S260-D263 PolarHBondContact OG-OD2 3.31Å; S260-E264 PolarHBondContact O-N 3.47Å
261	E	89.1	Confident	90.4	Very high	159 Å²	159	57.3 Å²	57.3	74%	0.743	26%	0.264	S	S	*	.	H	α-helix	trans	-54.1	-34.1	173.9	-69.6	-173.3	169.6	0	0	112.2	Q265	E261-Q265 WeakPolarHBondContact O-CB 3.49Å; E261-Q265 VanDerWaalsContact O-CG 3.3Å; E261-Q265 WeakPolarHBondContact O-CG 3.22Å; E261-Q265 PolarHBondContact O-N 3.31Å
262	R	87.5	Confident	90.1	Very high	144 Å²	144	64.7 Å²	64.7	54%	0.543	30%	0.296	S	S	.	.	H	α-helix	trans	-69	-43.6	177.1	-168	-173.8	-68.5	176.9	-2.3	111.8	S260 E264 Q265 E266	S260-R262 PolarHBondContact O-N 3.09Å; S260-R262 VanDerWaalsContact O-N 3.13Å; R262-E264 VanDerWaalsContact C-N 3.34Å; R262-Q265 PolarHBondContact O-N 3.05Å; R262-E266 PolarHBondContact O-N 3.3Å
263	D	90.3	Very high	89.8	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-41.3	176.8	-56.5	-38.8	0	0	0	110.9	Q121 L259 S260 E266 L267	Q121-D263 PolarHBondContact NE2-OD2 2.99Å; L259-D263 HydrophobicContact CB-CB 4.07Å; L259-D263 HydrophobicContact CD2-CB 4.05Å; S260-D263 WeakPolarHBondContact CB-OD2 3.41Å; S260-D263 PolarHBondContact N-OD2 3.02Å; S260-D263 PolarHBondContact O-N 2.79Å; S260-D263 PolarHBondContact OG-N 2.9Å; S260-D263 PolarHBondContact OG-OD2 3.31Å; D263-E266 PolarHBondContact O-N 3.3Å; D263-L267 WeakPolarHBondContact O-CB 3.48Å; D263-L267 WeakPolarHBondContact O-CG 3.36Å; D263-L267 PolarHBondContact O-N 3.2Å
264	E	91.9	Very high	89.4	Confident	57 Å²	57	72.6 Å²	72.6	27%	0.266	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-45.2	177	-69.3	-171.2	176.7	0	0	111.5	L259 S260 R262 L267 Q268 Q308 L312	L259-E264 HydrophobicContact CB-CG 3.88Å; L259-E264 HydrophobicContact CD1-CG 4.4Å; S260-E264 PolarHBondContact O-N 3.47Å; R262-E264 VanDerWaalsContact C-N 3.34Å; E264-L267 PolarHBondContact O-N 2.99Å; E264-Q268 WeakPolarHBondContact O-CB 3.42Å; E264-Q268 WeakPolarHBondContact O-CG 3.37Å; E264-Q268 PolarHBondContact O-N 2.98Å; E264-Q308 PolarHBondContact OE1-NE2 3.29Å; E264-L312 HydrophobicContact CG-CD1 4.37Å
265	Q	90.9	Very high	89	Confident	116 Å²	116	78.1 Å²	78.1	54%	0.542	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-47.1	175.7	-76.7	174.9	7.1	0	0	111.9	E261 R262 L267 Q268 E269	E261-Q265 WeakPolarHBondContact O-CB 3.49Å; E261-Q265 VanDerWaalsContact O-CG 3.3Å; E261-Q265 WeakPolarHBondContact O-CG 3.22Å; E261-Q265 PolarHBondContact O-N 3.31Å; R262-Q265 PolarHBondContact O-N 3.05Å; Q265-L267 PolarHBondContact O-N 3.01Å; Q265-Q268 PolarHBondContact O-N 3.06Å; Q265-E269 WeakPolarHBondContact O-CG 3.11Å; Q265-E269 PolarHBondContact O-N 3.15Å
266	E	89.4	Confident	88.9	Confident	16 Å²	16	77.1 Å²	77.1	8%	0.075	36%	0.361	C	S	.	.	H	α-helix	trans	-56.7	-49.6	177.4	-178.6	-171.4	-159.7	0	0	111.4	Q230 T235 Y252 R262 D263 Q268 E269 I270	Q230-E266 PolarHBondContact NE2-OE2 3.12Å; T235-E266 VanDerWaalsContact CB-OE1 3.26Å; T235-E266 WeakPolarHBondContact CB-OE1 3.36Å; T235-E266 HydrophobicContact CG2-CG 4.5Å; T235-E266 WeakPolarHBondContact CG2-OE1 3.31Å; T235-E266 PolarHBondContact OG1-OE1 2.82Å; Y252-E266 WeakPolarHBondContact CE2-OE2 3.3Å; Y252-E266 PolarHBondContact OH-OE2 2.86Å; R262-E266 PolarHBondContact O-N 3.3Å; D263-E266 PolarHBondContact O-N 3.3Å; E266-Q268 PolarHBondContact O-N 2.84Å; E266-E269 PolarHBondContact O-N 3Å; E266-I270 HydrophobicContact CG-CD1 3.96Å; E266-I270 VanDerWaalsContact O-CG1 3.28Å; E266-I270 WeakPolarHBondContact O-CG1 3.41Å; E266-I270 PolarHBondContact O-N 2.67Å
267	L	92.4	Very high	89.2	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-36.8	179.8	-72	173.4	0	0	0	112.2	Y252 L259 D263 E264 Q265 I270 R271 F280 L309 L312 Y314	Y252-L267 HydrophobicContact CD2-CD2 3.78Å; Y252-L267 HydrophobicContact CE2-CD2 3.76Å; Y252-L267 HydrophobicContact CE2-CG 4.22Å; Y252-L267 HydrophobicContact CG-CD2 4.39Å; L259-L267 HydrophobicContact CD1-CD1 3.87Å; L259-L267 HydrophobicContact CD2-CD1 4.32Å; D263-L267 WeakPolarHBondContact O-CB 3.48Å; D263-L267 WeakPolarHBondContact O-CG 3.36Å; D263-L267 PolarHBondContact O-N 3.2Å; E264-L267 PolarHBondContact O-N 2.99Å; Q265-L267 PolarHBondContact O-N 3.01Å; L267-I270 HydrophobicContact CD2-CD1 4.45Å; L267-R271 WeakPolarHBondContact O-CB 3.3Å; L267-R271 PolarHBondContact O-N 3.36Å; L267-F280 HydrophobicContact CD1-CE1 3.9Å; L267-F280 HydrophobicContact CD1-CZ 4.42Å; L267-F280 HydrophobicContact CD2-CE1 3.73Å; L267-F280 HydrophobicContact CD2-CZ 3.96Å; L267-L309 HydrophobicContact CD1-CD2 4.08Å; L267-L312 HydrophobicContact CB-CD1 4.04Å; L267-L312 HydrophobicContact CD1-CD1 3.99Å; L267-Y314 HydrophobicContact CB-CE2 3.87Å; L267-Y314 HydrophobicContact CD2-CE2 4.24Å; L267-Y314 PolarHBondContact O-OH 2.85Å
268	Q	92.4	Very high	89.6	Confident	108 Å²	108	70 Å²	70	51%	0.505	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-43.7	172.9	-74.4	175.6	11.2	0	0	111.8	E264 Q265 E266 R271 K272 L312	E264-Q268 WeakPolarHBondContact O-CB 3.42Å; E264-Q268 WeakPolarHBondContact O-CG 3.37Å; E264-Q268 PolarHBondContact O-N 2.98Å; Q265-Q268 PolarHBondContact O-N 3.06Å; E266-Q268 PolarHBondContact O-N 2.84Å; Q268-R271 PolarHBondContact O-N 2.83Å; Q268-K272 VanDerWaalsContact O-CB 3.3Å; Q268-K272 WeakPolarHBondContact O-CB 3.15Å; Q268-K272 PolarHBondContact O-N 3.16Å; Q268-L312 HydrophobicContact CG-CD2 3.41Å; Q268-L312 VanDerWaalsContact CG-CD2 3.41Å
269	E	90.6	Very high	89.9	Confident	91 Å²	91	64.7 Å²	64.7	43%	0.425	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-45.7	178.2	-72.8	-168.8	156.2	0	0	112.2	V236 Q265 E266 R271 K272 Y273	V236-E269 HydrophobicContact CG2-CB 3.62Å; Q265-E269 WeakPolarHBondContact O-CG 3.11Å; Q265-E269 PolarHBondContact O-N 3.15Å; E266-E269 PolarHBondContact O-N 3Å; E269-R271 VanDerWaalsContact C-N 3.28Å; E269-R271 PolarHBondContact O-N 3.46Å; E269-K272 WeakPolarHBondContact O-CB 3.14Å; E269-K272 PolarHBondContact O-N 3.47Å; E269-K272 VanDerWaalsContact O-N 3.15Å; E269-Y273 VanDerWaalsContact O-CD2 3.28Å; E269-Y273 WeakPolarHBondContact O-CD2 3.27Å; E269-Y273 PolarHBondContact O-N 2.76Å; E269-Y273 VanDerWaalsContact O-N 3.08Å
270	I	89.9	Confident	90	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-55.1	-48.5	175.3	-68.3	167.6	0	0	0	109.6	L119 T235 L239 E266 L267 K272 Y273 F274	L119-I270 HydrophobicContact CD1-CD1 3.71Å; T235-I270 HydrophobicContact CG2-CD1 3.78Å; T235-I270 HydrophobicContact CG2-CG1 4.18Å; L239-I270 HydrophobicContact CD1-CB 4.41Å; L239-I270 HydrophobicContact CD1-CD1 4.34Å; L239-I270 HydrophobicContact CD1-CG1 3.82Å; L239-I270 HydrophobicContact CD1-CG2 3.93Å; E266-I270 HydrophobicContact CG-CD1 3.96Å; E266-I270 VanDerWaalsContact O-CG1 3.28Å; E266-I270 WeakPolarHBondContact O-CG1 3.41Å; E266-I270 PolarHBondContact O-N 2.67Å; L267-I270 HydrophobicContact CD2-CD1 4.45Å; I270-K272 VanDerWaalsContact C-N 3.33Å; I270-K272 PolarHBondContact O-N 2.81Å; I270-Y273 PolarHBondContact O-N 3.33Å; I270-F274 CarbonylContact O-C 3.6Å; I270-F274 WeakPolarHBondContact O-CA 3.36Å; I270-F274 WeakPolarHBondContact O-CB 3.47Å; I270-F274 PolarHBondContact O-N 2.73Å
271	R	89.5	Confident	90.2	Very high	125 Å²	125	62.3 Å²	62.3	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-65.7	-34.7	-179.6	-167.7	173.9	-176.5	-141.3	-1.8	113.1	L267 Q268 E269 F274 L312 G313 Y314	L267-R271 WeakPolarHBondContact O-CB 3.3Å; L267-R271 PolarHBondContact O-N 3.36Å; Q268-R271 PolarHBondContact O-N 2.83Å; E269-R271 VanDerWaalsContact C-N 3.28Å; E269-R271 PolarHBondContact O-N 3.46Å; R271-F274 WeakPolarHBondContact CA-O 3.25Å; R271-L312 WeakPolarHBondContact CD-O 3.21Å; R271-L312 VanDerWaalsContact CZ-O 3.25Å; R271-L312 PolarHBondContact NE-O 3.01Å; R271-L312 VanDerWaalsContact NH1-C 3.27Å; R271-L312 PolarHBondContact NH1-O 2.91Å; R271-G313 VanDerWaalsContact CZ-C 3.44Å; R271-G313 VanDerWaalsContact CZ-CA 3.43Å; R271-G313 PolarHBondContact NE-O 3.4Å; R271-G313 PolarHBondContact NH2-O 2.83Å; R271-Y314 HydrophobicContact CB-CE2 4.2Å; R271-Y314 PolarHBondContact N-OH 2.9Å
272	K	89.8	Confident	90.3	Very high	156 Å²	156	56.4 Å²	56.4	68%	0.678	26%	0.259	S	S	*	.	H	α-helix	trans	-65.6	-44.6	179.5	-179.7	-176.2	176.3	-172.3	0	111.8	Q268 E269 I270	Q268-K272 VanDerWaalsContact O-CB 3.3Å; Q268-K272 WeakPolarHBondContact O-CB 3.15Å; Q268-K272 PolarHBondContact O-N 3.16Å; E269-K272 WeakPolarHBondContact O-CB 3.14Å; E269-K272 PolarHBondContact O-N 3.47Å; E269-K272 VanDerWaalsContact O-N 3.15Å; I270-K272 VanDerWaalsContact C-N 3.33Å; I270-K272 PolarHBondContact O-N 2.81Å
273	Y	87.7	Confident	90.2	Very high	136 Å²	136	49.9 Å²	49.9	53%	0.533	24%	0.235	S	C	.	.	H	α-helix	trans	-93	-27.1	-177	-66	-71.1	0	0	0	113.3	V236 E269 I270	V236-Y273 HydrophobicContact CB-CD2 4.44Å; V236-Y273 HydrophobicContact CG1-CD2 3.57Å; V236-Y273 HydrophobicContact CG1-CE2 4.12Å; V236-Y273 HydrophobicContact CG1-CG 3.97Å; V236-Y273 HydrophobicContact CG2-CD2 3.94Å; V236-Y273 HydrophobicContact CG2-CE2 4.43Å; E269-Y273 VanDerWaalsContact O-CD2 3.28Å; E269-Y273 WeakPolarHBondContact O-CD2 3.27Å; E269-Y273 PolarHBondContact O-N 2.76Å; E269-Y273 VanDerWaalsContact O-N 3.08Å; I270-Y273 PolarHBondContact O-N 3.33Å
274	F	85.6	Confident	89.5	Confident	30 Å²	30	53 Å²	53	13%	0.132	26%	0.257	C	S	.	.			trans	-131.4	128.3	-175.5	-52	-80.1	0	0	0	112.3	V236 L239 V243 I270 R271 F276	V236-F274 HydrophobicContact CG1-CE2 3.95Å; L239-F274 HydrophobicContact CB-CD2 4.04Å; L239-F274 HydrophobicContact CB-CE1 4.29Å; L239-F274 HydrophobicContact CB-CE2 3.44Å; L239-F274 VanDerWaalsContact CB-CE2 3.44Å; L239-F274 HydrophobicContact CB-CZ 3.59Å; L239-F274 HydrophobicContact CD1-CD2 3.81Å; L239-F274 HydrophobicContact CD1-CE2 3.96Å; L239-F274 HydrophobicContact CG-CE2 4.34Å; V243-F274 HydrophobicContact CB-CE1 4.38Å; V243-F274 HydrophobicContact CG2-CD1 4.21Å; V243-F274 HydrophobicContact CG2-CE1 4Å; I270-F274 CarbonylContact O-C 3.6Å; I270-F274 WeakPolarHBondContact O-CA 3.36Å; I270-F274 WeakPolarHBondContact O-CB 3.47Å; I270-F274 PolarHBondContact O-N 2.73Å; R271-F274 WeakPolarHBondContact CA-O 3.25Å; F274-F276 VanDerWaalsContact C-N 3.31Å; F274-F276 HydrophobicContact CB-CD2 3.71Å; F274-F276 HydrophobicContact CB-CE2 4.17Å; F274-F276 HydrophobicContact CD1-CD2 4.36Å; F274-F276 HydrophobicContact CD1-CE2 4Å; F274-F276 HydrophobicContact CG-CD2 4.34Å; F274-F276 HydrophobicContact CG-CE2 4.43Å; F274-F276 PolarHBondContact O-N 3.33Å
275	S	81.8	Confident	88.2	Confident	116 Å²	116	58 Å²	58	81%	0.811	28%	0.277	S	S	*	.			trans	-95.2	44.3	175.4	-54.9	0	0	0	0	112.4
276	F	85.3	Confident	86.3	Confident	23 Å²	23	59.1 Å²	59.1	10%	0.101	29%	0.286	C	S	.	.			trans	-87.9	139.9	176	-69.9	-69.6	0	0	0	111.2	V243 L247 P248 I250 F274	V243-F276 HydrophobicContact CG1-CE2 4.2Å; V243-F276 HydrophobicContact CG1-CZ 4.11Å; V243-F276 HydrophobicContact CG2-CE2 3.63Å; V243-F276 HydrophobicContact CG2-CZ 4.07Å; L247-F276 HydrophobicContact CD1-CE1 4.16Å; P248-F276 HydrophobicContact CG-CD2 4.48Å; P248-F276 HydrophobicContact CG-CE1 4.44Å; P248-F276 HydrophobicContact CG-CE2 4.21Å; P248-F276 HydrophobicContact CG-CZ 4.19Å; I250-F276 HydrophobicContact CD1-CB 3.59Å; I250-F276 HydrophobicContact CD1-CD2 4.03Å; I250-F276 HydrophobicContact CD1-CG 4.06Å; I250-F276 HydrophobicContact CG1-CB 4.41Å; F274-F276 VanDerWaalsContact C-N 3.31Å; F274-F276 HydrophobicContact CB-CD2 3.71Å; F274-F276 HydrophobicContact CB-CE2 4.17Å; F274-F276 HydrophobicContact CD1-CD2 4.36Å; F274-F276 HydrophobicContact CD1-CE2 4Å; F274-F276 HydrophobicContact CG-CD2 4.34Å; F274-F276 HydrophobicContact CG-CE2 4.43Å; F274-F276 PolarHBondContact O-N 3.33Å
277	P	91.9	Very high	84.3	Confident	22 Å²	22	61.9 Å²	61.9	14%	0.143	32%	0.319	C	S	.	.			trans	-68.2	149.4	167.1	31.7	-35.4	0	0	0	110.2	A331 S333 F348 V352	P277-A331 HydrophobicContact CB-CB 4.42Å; P277-A331 HydrophobicContact CG-CB 3.9Å; P277-S333 WeakPolarHBondContact CA-OG 3.15Å; P277-F348 HydrophobicContact CB-CE2 3.96Å; P277-F348 HydrophobicContact CB-CZ 4.04Å; P277-F348 HydrophobicContact CG-CE2 4.43Å; P277-F348 HydrophobicContact CG-CZ 4.22Å; P277-V352 HydrophobicContact CG-CG2 3.62Å
278	V	93.9	Very high	81.9	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.7	-176.6	179.9	0	0	0	0	110.7	I250 F280 Y314 S333 V334	I250-V278 HydrophobicContact CB-CG2 4.27Å; I250-V278 HydrophobicContact CG2-CG1 4.11Å; I250-V278 HydrophobicContact CG2-CG2 4.03Å; V278-F280 HydrophobicContact CB-CD2 4.27Å; V278-F280 HydrophobicContact CB-CE2 3.65Å; V278-F280 HydrophobicContact CB-CZ 3.87Å; V278-F280 HydrophobicContact CG1-CD1 4.27Å; V278-F280 HydrophobicContact CG1-CD2 4.03Å; V278-F280 HydrophobicContact CG1-CE1 3.93Å; V278-F280 HydrophobicContact CG1-CE2 3.69Å; V278-F280 HydrophobicContact CG1-CG 4.31Å; V278-F280 HydrophobicContact CG1-CZ 3.63Å; V278-Y314 HydrophobicContact CB-CD1 4.22Å; V278-Y314 HydrophobicContact CB-CE1 4.14Å; V278-Y314 HydrophobicContact CG2-CD1 4.11Å; V278-Y314 HydrophobicContact CG2-CE1 3.56Å; V278-S333 PolarHBondContact N-OG 3.13Å; V278-S333 CarbonylContact O-C 3.58Å; V278-S333 WeakPolarHBondContact O-CA 3.29Å; V278-S333 WeakPolarHBondContact O-CB 3.2Å; V278-V334 PolarHBondContact O-N 3.36Å
279	F	95.4	Very high	79.1	Confident	1 Å²	1	69.5 Å²	69.5	0%	0.004	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	101.3	171.5	-170.9	-94.7	0	0	0	109.6	I250 T251 Y252 F281 V336 L342 H344 L345 F348	I250-F279 PolarHBondContact O-N 2.97Å; T251-F279 CarbonylContact C-O 3.59Å; T251-F279 WeakPolarHBondContact CA-O 3.36Å; T251-F279 HydrophobicContact CG2-CB 4.43Å; T251-F279 HydrophobicContact CG2-CD1 3.92Å; T251-F279 WeakPolarHBondContact CG2-O 3.38Å; Y252-F279 PolarHBondContact N-O 3.01Å; F279-F281 HydrophobicContact CD1-CB 4.07Å; F279-F281 HydrophobicContact CE1-CB 3.86Å; F279-F281 HydrophobicContact CE1-CD2 4.07Å; F279-F281 HydrophobicContact CE1-CG 4.3Å; F279-V336 HydrophobicContact CE1-CG2 4.38Å; F279-V336 HydrophobicContact CE2-CG2 3.77Å; F279-V336 HydrophobicContact CZ-CB 4.15Å; F279-V336 HydrophobicContact CZ-CG2 3.58Å; F279-L342 HydrophobicContact CE1-CD1 4.32Å; F279-H344 HydrophobicContact CE2-CB 4.03Å; F279-H344 HydrophobicContact CZ-CB 4.22Å; F279-L345 HydrophobicContact CB-CD1 4.23Å; F279-L345 HydrophobicContact CD1-CB 4.46Å; F279-L345 HydrophobicContact CD1-CD1 3.93Å; F279-L345 HydrophobicContact CD2-CD1 4.4Å; F279-L345 HydrophobicContact CE1-CB 4.02Å; F279-L345 HydrophobicContact CE1-CD1 4.34Å; F279-L345 HydrophobicContact CE2-CB 4.38Å; F279-L345 HydrophobicContact CG-CD1 3.94Å; F279-L345 HydrophobicContact CZ-CB 3.97Å; F279-F348 HydrophobicContact CB-CD1 3.69Å; F279-F348 HydrophobicContact CB-CD2 4.38Å; F279-F348 HydrophobicContact CB-CE1 3.65Å; F279-F348 HydrophobicContact CB-CE2 4.34Å; F279-F348 HydrophobicContact CB-CG 4.06Å; F279-F348 HydrophobicContact CB-CZ 3.99Å; F279-F348 HydrophobicContact CD2-CB 3.71Å; F279-F348 HydrophobicContact CD2-CD1 4.1Å; F279-F348 HydrophobicContact CD2-CD2 4.16Å; F279-F348 AromaticContact CD2-CG 3.73Å; F279-F348 HydrophobicContact CD2-CG 3.73Å; F279-F348 HydrophobicContact CE2-CB 4.21Å; F279-F348 HydrophobicContact CG-CD1 4.25Å; F279-F348 HydrophobicContact CG-CG 4.32Å
280	F	94.9	Very high	76.8	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.5	175.6	-62.7	-88	0	0	0	109.6	Y252 L254 L267 V278 L309 Y314 V334 L335 V336	Y252-F280 AromaticContact CD1-CD1 3.99Å; Y252-F280 HydrophobicContact CD1-CD1 3.99Å; Y252-F280 HydrophobicContact CD1-CE1 4.17Å; Y252-F280 AromaticContact CG-CD1 3.99Å; Y252-F280 HydrophobicContact CG-CD1 3.99Å; Y252-F280 AromaticContact CG-CE1 3.95Å; Y252-F280 HydrophobicContact CG-CE1 3.95Å; Y252-F280 CarbonylContact O-C 3.56Å; Y252-F280 WeakPolarHBondContact O-CA 3.33Å; L254-F280 HydrophobicContact CD1-CB 3.95Å; L254-F280 HydrophobicContact CD1-CD1 4.25Å; L267-F280 HydrophobicContact CD1-CE1 3.9Å; L267-F280 HydrophobicContact CD1-CZ 4.42Å; L267-F280 HydrophobicContact CD2-CE1 3.73Å; L267-F280 HydrophobicContact CD2-CZ 3.96Å; V278-F280 HydrophobicContact CB-CD2 4.27Å; V278-F280 HydrophobicContact CB-CE2 3.65Å; V278-F280 HydrophobicContact CB-CZ 3.87Å; V278-F280 HydrophobicContact CG1-CD1 4.27Å; V278-F280 HydrophobicContact CG1-CD2 4.03Å; V278-F280 HydrophobicContact CG1-CE1 3.93Å; V278-F280 HydrophobicContact CG1-CE2 3.69Å; V278-F280 HydrophobicContact CG1-CG 4.31Å; V278-F280 HydrophobicContact CG1-CZ 3.63Å; F280-L309 HydrophobicContact CB-CD1 4.24Å; F280-L309 HydrophobicContact CD1-CD1 4.03Å; F280-L309 HydrophobicContact CD1-CD2 4.01Å; F280-L309 HydrophobicContact CD2-CD1 3.98Å; F280-L309 HydrophobicContact CD2-CD2 4.44Å; F280-L309 HydrophobicContact CE1-CD1 4.39Å; F280-L309 HydrophobicContact CE1-CD2 3.56Å; F280-L309 HydrophobicContact CE2-CD1 4.34Å; F280-L309 HydrophobicContact CE2-CD2 4.03Å; F280-L309 HydrophobicContact CG-CD1 3.81Å; F280-L309 HydrophobicContact CG-CD2 4.43Å; F280-L309 HydrophobicContact CZ-CD2 3.57Å; F280-Y314 AromaticContact CE2-CD1 3.81Å; F280-Y314 HydrophobicContact CE2-CD1 3.81Å; F280-Y314 AromaticContact CE2-CG 3.84Å; F280-Y314 HydrophobicContact CE2-CG 3.84Å; F280-Y314 AromaticContact CZ-CD1 3.83Å; F280-Y314 HydrophobicContact CZ-CD1 3.83Å; F280-Y314 HydrophobicContact CZ-CD2 4.15Å; F280-Y314 HydrophobicContact CZ-CE1 4.22Å; F280-Y314 AromaticContact CZ-CG 3.79Å; F280-Y314 HydrophobicContact CZ-CG 3.79Å; F280-V334 PolarHBondContact N-O 3.13Å; F280-L335 HydrophobicContact CB-CB 4.39Å; F280-L335 HydrophobicContact CB-CD1 3.63Å; F280-V336 PolarHBondContact O-N 2.94Å
281	F	93.6	Very high	74.1	Confident	1 Å²	1	78.3 Å²	78.3	0%	0.004	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.3	-177.9	-177.6	-102.8	0	0	0	111.6	L129 L132 Y252 A253 L254 F279 V283 V336 L342	L129-F281 HydrophobicContact CD1-CD1 3.69Å; L129-F281 HydrophobicContact CD1-CE1 4.1Å; L129-F281 HydrophobicContact CD1-CG 4.43Å; L132-F281 HydrophobicContact CD1-CE1 4.29Å; Y252-F281 PolarHBondContact O-N 2.87Å; A253-F281 WeakPolarHBondContact CA-O 3.48Å; L254-F281 PolarHBondContact N-O 3.17Å; F279-F281 HydrophobicContact CD1-CB 4.07Å; F279-F281 HydrophobicContact CE1-CB 3.86Å; F279-F281 HydrophobicContact CE1-CD2 4.07Å; F279-F281 HydrophobicContact CE1-CG 4.3Å; F281-V283 HydrophobicContact CD1-CG2 3.8Å; F281-V283 HydrophobicContact CE1-CG2 3.91Å; F281-V336 HydrophobicContact CD2-CB 4Å; F281-V336 HydrophobicContact CD2-CG1 3.88Å; F281-V336 HydrophobicContact CE2-CG1 4.03Å; F281-L342 HydrophobicContact CD1-CD1 4.02Å; F281-L342 HydrophobicContact CD2-CB 4.45Å; F281-L342 HydrophobicContact CD2-CD1 3.74Å; F281-L342 HydrophobicContact CE1-CD1 3.95Å; F281-L342 HydrophobicContact CE2-CB 3.65Å; F281-L342 HydrophobicContact CE2-CD1 3.7Å; F281-L342 HydrophobicContact CE2-CG 4.23Å; F281-L342 HydrophobicContact CG-CD1 3.9Å; F281-L342 HydrophobicContact CZ-CB 3.76Å; F281-L342 HydrophobicContact CZ-CD1 3.79Å; F281-L342 HydrophobicContact CZ-CD2 4.4Å; F281-L342 HydrophobicContact CZ-CG 4.16Å
282	K	90.5	Very high	71.8	Confident	36 Å²	36	80.1 Å²	80.1	16%	0.157	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.8	176.4	-161.8	178.3	-178.2	179.7	0	111	L254 D257 V336 E337	L254-K282 HydrophobicContact CB-CB 4.47Å; L254-K282 HydrophobicContact CB-CG 4.46Å; L254-K282 CarbonylContact O-C 3.56Å; L254-K282 VanDerWaalsContact O-CA 3.3Å; L254-K282 WeakPolarHBondContact O-CA 3.48Å; D257-K282 IonicContact OD1-NZ 3.86Å; D257-K282 PolarHBondContact OD1-NZ 3.09Å; K282-V336 PolarHBondContact N-O 3.47Å; K282-E337 HydrophobicContact CB-CB 4.47Å; K282-E337 HydrophobicContact CD-CB 4.37Å; K282-E337 HydrophobicContact CD-CG 4.36Å
283	V	85.5	Confident	69.1	Low	7 Å²	7	76.8 Å²	76.8	4%	0.042	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-82.3	133.9	177.2	-172.7	0	0	0	0	109.4	V125 Q128 L129 L132 L254 F281	V125-V283 HydrophobicContact CG1-CB 4.09Å; V125-V283 HydrophobicContact CG1-CG2 3.74Å; Q128-V283 HydrophobicContact CB-CG1 3.93Å; Q128-V283 VanDerWaalsContact OE1-CG1 3.25Å; L129-V283 HydrophobicContact CB-CG2 4.31Å; L132-V283 HydrophobicContact CD1-CG1 4.07Å; L254-V283 PolarHBondContact O-N 3.41Å; F281-V283 HydrophobicContact CD1-CG2 3.8Å; F281-V283 HydrophobicContact CE1-CG2 3.91Å
284	S	77.1	Confident	66.9	Low	68 Å²	68	75.9 Å²	75.9	48%	0.476	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-74.8	137.2	179.3	-54.9	0	0	0	0	111.3	L286	S284-L286 PolarHBondContact O-N 2.94Å
285	K	64.9	Low	64.5	Low	161 Å²	161	80 Å²	80	70%	0.7	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-61.6	126	173.4	-83.6	-177.3	176.1	177.3	0	110.5	G287	K285-G287 PolarHBondContact O-N 2.98Å
286	L	50	Low	62.5	Low	140 Å²	140	86.2 Å²	86.2	73%	0.733	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	121.6	175.1	-160.9	73.2	0	0	0	109.3	S284	S284-L286 PolarHBondContact O-N 2.94Å
287	G	47.1	Very low	60.4	Low	74 Å²	74	95.9 Å²	95.9	76%	0.763	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.9	2.8	177.6	0	0	0	0	0	117	K285 E289	K285-G287 PolarHBondContact O-N 2.98Å; G287-E289 PolarHBondContact O-N 3.2Å
288	S	42.8	Very low	57.7	Low	105 Å²	105	100.7 Å²	100.7	73%	0.734	55%	0.546	S	S	*	.			trans	-74.4	93.4	163.4	-179.3	0	0	0	0	108.6	I290	S288-I290 PolarHBondContact O-N 3.1Å
289	E	32.8	Very low	55.3	Low	163 Å²	163	109.4 Å²	109.4	76%	0.762	59%	0.587	S	S	*	*			trans	-48.6	139.9	166.1	-75.3	-176.8	160	0	0	110	G287 T291	G287-E289 PolarHBondContact O-N 3.2Å; E289-T291 PolarHBondContact O-N 3.15Å
290	I	42.5	Very low	52.7	Low	165 Å²	165	114.3 Å²	114.3	85%	0.846	62%	0.621	S	S	*	*			trans	-62.1	84.6	169.5	-59	166.5	0	0	0	106.5	S288 D292	S288-I290 PolarHBondContact O-N 3.1Å; I290-D292 PolarHBondContact O-N 3.39Å
291	T	33.8	Very low	50.6	Low	113 Å²	113	122.4 Å²	122.4	69%	0.693	66%	0.659	S	S	*	*			trans	-81.8	102.2	156.5	31.9	0	0	0	0	105.9	E289 S293	E289-T291 PolarHBondContact O-N 3.15Å; T291-S293 PolarHBondContact O-N 3.36Å
292	D	40.4	Very low	49.4	Very low	163 Å²	163	127.1 Å²	127.1	87%	0.872	68%	0.677	S	S	*	*			trans	-59.6	82.6	168.9	-151.4	9.6	0	0	0	108.1	I290	I290-D292 PolarHBondContact O-N 3.39Å
293	S	33.7	Very low	49	Very low	87 Å²	87	127 Å²	127	61%	0.608	68%	0.68	S	S	*	*			trans	-127	94.7	166.6	74.1	0	0	0	0	108.5	T291 T295	T291-S293 PolarHBondContact O-N 3.36Å; S293-T295 PolarHBondContact O-N 3.09Å
294	S	41.7	Very low	49	Very low	116 Å²	116	130.7 Å²	130.7	81%	0.811	70%	0.7	S	S	*	*			trans	-36.1	96.7	158	55.1	0	0	0	0	112.3
295	T	34.9	Very low	49.5	Very low	117 Å²	117	127.5 Å²	127.5	72%	0.718	68%	0.677	S	S	*	*			trans	-122.5	96.7	142.7	30.7	0	0	0	0	106.8	S293 R297	S293-T295 PolarHBondContact O-N 3.09Å; T295-R297 PolarHBondContact O-N 3.15Å
296	R	39.9	Very low	50.6	Low	247 Å²	247	121 Å²	121	93%	0.932	65%	0.649	S	S	*	*			trans	-52.5	86.8	151.3	-75.6	178.1	173.8	178.1	-2.2	106.5	T298	R296-T298 VanDerWaalsContact C-N 3.33Å; R296-T298 PolarHBondContact O-N 3.45Å
297	R	41.5	Very low	52.5	Low	226 Å²	226	120.2 Å²	120.2	85%	0.853	64%	0.636	S	S	*	*			trans	-64.3	106.9	160.1	-80.3	-171.6	179.1	-177.3	0.5	104.6	T295 E299	T295-R297 PolarHBondContact O-N 3.15Å; R297-E299 PolarHBondContact O-N 2.89Å
298	T	34.8	Very low	54.6	Low	122 Å²	122	117.9 Å²	117.9	75%	0.748	61%	0.605	S	S	*	*			trans	-39.7	127.5	165.3	32	0	0	0	0	109.2	R296 S300	R296-T298 VanDerWaalsContact C-N 3.33Å; R296-T298 PolarHBondContact O-N 3.45Å; T298-S300 PolarHBondContact O-N 3.27Å
299	E	42.5	Very low	57	Low	186 Å²	186	112.9 Å²	112.9	87%	0.869	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	34.9	-175.5	-65.6	170	132.4	0	0	114.1	R297	R297-E299 PolarHBondContact O-N 2.89Å
300	S	41.5	Very low	59.7	Low	103 Å²	103	107 Å²	107	72%	0.72	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-11.9	-167.7	-173.6	0	0	0	0	115.3	T298	T298-S300 PolarHBondContact O-N 3.27Å
301	E	51.6	Low	62.1	Low	170 Å²	170	105.5 Å²	105.5	79%	0.794	54%	0.537	S	S	*	.	S	Bend	trans	-117.8	111.1	178.9	-74.6	-174.6	163.8	0	0	111.2	S303	E301-S303 PolarHBondContact O-N 3.29Å
302	R	67.5	Low	64.8	Low	100 Å²	100	100.8 Å²	100.8	38%	0.377	51%	0.507	S	S	.	.			trans	-55.6	129.3	169.6	-69.9	170.7	177.2	-176.7	2.3	109.4	Y306 R307 S317	R302-Y306 HydrophobicContact CB-CD1 3.72Å; R302-Y306 HydrophobicContact CB-CE1 4.32Å; R302-Y306 HydrophobicContact CB-CG 4.43Å; R302-Y306 VanDerWaalsContact CD-CE1 3.48Å; R302-Y306 HydrophobicContact CG-CD1 3.67Å; R302-Y306 HydrophobicContact CG-CE1 3.74Å; R302-R307 HydrophobicContact CB-CG 4.31Å; R302-R307 PolarHBondContact O-NE 3.43Å; R302-R307 PolarHBondContact O-NH2 2.91Å; R302-S317 PolarHBondContact NH2-O 3.23Å
303	S	81.6	Confident	67.2	Low	33 Å²	33	94.2 Å²	94.2	23%	0.231	48%	0.478	C	S	.	.			trans	-58.6	154	176.5	66.6	0	0	0	0	111.1	E301 L305 Y306 R307 E337	E301-S303 PolarHBondContact O-N 3.29Å; S303-L305 VanDerWaalsContact C-N 3.27Å; S303-L305 PolarHBondContact O-N 3.36Å; S303-Y306 WeakPolarHBondContact O-CB 3.23Å; S303-Y306 PolarHBondContact O-N 2.89Å; S303-Y306 VanDerWaalsContact O-N 3.08Å; S303-Y306 WeakPolarHBondContact OG-CB 3.23Å; S303-Y306 PolarHBondContact OG-N 3.21Å; S303-R307 PolarHBondContact O-N 2.86Å; S303-R307 VanDerWaalsContact O-N 3.14Å; S303-E337 WeakPolarHBondContact CB-OE1 3.48Å; S303-E337 PolarHBondContact OG-OE1 3.48Å; S303-E337 PolarHBondContact OG-OE2 3.37Å
304	L	86.1	Confident	69.8	Low	86 Å²	86	90.9 Å²	90.9	45%	0.45	45%	0.453	S	S	.	.	H	α-helix	trans	-55.9	-46.2	178.6	-179.4	61.5	0	0	0	110.6	E258 Y306 R307 Q308	E258-L304 HydrophobicContact CB-CD2 3.88Å; E258-L304 HydrophobicContact CB-CG 4.48Å; L304-Y306 VanDerWaalsContact C-N 3.32Å; L304-Y306 PolarHBondContact O-N 3.28Å; L304-R307 WeakPolarHBondContact O-CB 3.22Å; L304-R307 PolarHBondContact O-N 3.42Å; L304-Q308 PolarHBondContact O-N 3.08Å
305	L	88.5	Confident	72.1	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.005	42%	0.419	C	S	.	.	H	α-helix	trans	-56.5	-40.6	174.2	-166.2	132.2	0	0	0	113.4	L254 D257 L259 S303 R307 Q308 L309 L335	L254-L305 HydrophobicContact CD1-CD1 3.95Å; L254-L305 HydrophobicContact CD1-CD2 3.64Å; L254-L305 HydrophobicContact CD1-CG 4.38Å; L254-L305 HydrophobicContact CD2-CD1 4.27Å; D257-L305 WeakPolarHBondContact O-CB 3.32Å; D257-L305 PolarHBondContact O-N 2.75Å; L259-L305 HydrophobicContact CD2-CD1 4.26Å; L259-L305 HydrophobicContact CG-CD1 4.47Å; S303-L305 VanDerWaalsContact C-N 3.27Å; S303-L305 PolarHBondContact O-N 3.36Å; L305-R307 VanDerWaalsContact C-N 3.32Å; L305-R307 PolarHBondContact O-N 3.45Å; L305-Q308 PolarHBondContact O-N 3.49Å; L305-L309 HydrophobicContact CD2-CD1 3.76Å; L305-L309 HydrophobicContact CD2-CG 4.47Å; L305-L309 WeakPolarHBondContact O-CG 3.36Å; L305-L309 PolarHBondContact O-N 2.87Å; L305-L335 HydrophobicContact CD2-CD1 3.38Å; L305-L335 HydrophobicContact CD2-CD2 3.51Å; L305-L335 HydrophobicContact CD2-CG 4.08Å
306	Y	88.3	Confident	74.2	Confident	25 Å²	25	83.2 Å²	83.2	10%	0.098	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-37.6	175.1	-176.3	-88	0	0	0	112.3	R302 S303 L304 I310 L315 S316 W320 L335	R302-Y306 HydrophobicContact CB-CD1 3.72Å; R302-Y306 HydrophobicContact CB-CE1 4.32Å; R302-Y306 HydrophobicContact CB-CG 4.43Å; R302-Y306 VanDerWaalsContact CD-CE1 3.48Å; R302-Y306 HydrophobicContact CG-CD1 3.67Å; R302-Y306 HydrophobicContact CG-CE1 3.74Å; S303-Y306 WeakPolarHBondContact O-CB 3.23Å; S303-Y306 PolarHBondContact O-N 2.89Å; S303-Y306 VanDerWaalsContact O-N 3.08Å; S303-Y306 WeakPolarHBondContact OG-CB 3.23Å; S303-Y306 PolarHBondContact OG-N 3.21Å; L304-Y306 VanDerWaalsContact C-N 3.32Å; L304-Y306 PolarHBondContact O-N 3.28Å; Y306-I310 HydrophobicContact CD1-CD1 3.75Å; Y306-I310 HydrophobicContact CD1-CG1 4.35Å; Y306-I310 HydrophobicContact CE1-CD1 3.23Å; Y306-I310 HydrophobicContact CE1-CG1 4.1Å; Y306-I310 WeakPolarHBondContact O-CG1 3.18Å; Y306-I310 PolarHBondContact O-N 2.89Å; Y306-I310 VanDerWaalsContact O-N 3.14Å; Y306-L315 HydrophobicContact CD2-CD1 3.55Å; Y306-L315 HydrophobicContact CE2-CD1 3.71Å; Y306-L315 HydrophobicContact CG-CD1 4.21Å; Y306-S316 PolarHBondContact OH-O 3.04Å; Y306-W320 AromaticContact CZ-NE1 3.82Å; Y306-L335 HydrophobicContact CD2-CD2 4.09Å
307	R	88.4	Confident	75.3	Confident	122 Å²	122	75.1 Å²	75.1	46%	0.46	38%	0.383	S	S	.	.	H	α-helix	trans	-67.9	-47	176.5	-62.8	178.3	-167.3	151.6	5.1	111.2	R302 S303 L304 L305 L309 I310 D311	R302-R307 HydrophobicContact CB-CG 4.31Å; R302-R307 PolarHBondContact O-NE 3.43Å; R302-R307 PolarHBondContact O-NH2 2.91Å; S303-R307 PolarHBondContact O-N 2.86Å; S303-R307 VanDerWaalsContact O-N 3.14Å; L304-R307 WeakPolarHBondContact O-CB 3.22Å; L304-R307 PolarHBondContact O-N 3.42Å; L305-R307 VanDerWaalsContact C-N 3.32Å; L305-R307 PolarHBondContact O-N 3.45Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 PolarHBondContact O-N 3.48Å; R307-I310 WeakPolarHBondContact O-CA 3.17Å; R307-I310 WeakPolarHBondContact O-CB 3.46Å; R307-I310 PolarHBondContact O-N 3.1Å; R307-D311 PolarHBondContact O-N 3.5Å
308	Q	92.5	Very high	75.9	Confident	26 Å²	26	68.3 Å²	68.3	12%	0.121	37%	0.37	C	S	.	.	H	α-helix	trans	-56.8	-42	176.6	-68.3	176.8	-71.6	0	0	111.4	L259 E264 L304 L305 I310 D311 L312	L259-Q308 HydrophobicContact CD1-CB 4.02Å; L259-Q308 PolarHBondContact O-NE2 2.95Å; L259-Q308 VanDerWaalsContact O-NE2 3.09Å; E264-Q308 PolarHBondContact OE1-NE2 3.29Å; L304-Q308 PolarHBondContact O-N 3.08Å; L305-Q308 PolarHBondContact O-N 3.49Å; Q308-I310 VanDerWaalsContact C-N 3.34Å; Q308-I310 PolarHBondContact O-N 3.45Å; Q308-D311 PolarHBondContact O-N 3.13Å; Q308-L312 WeakPolarHBondContact O-CB 3.13Å; Q308-L312 VanDerWaalsContact O-CG 3.27Å; Q308-L312 WeakPolarHBondContact O-CG 3.4Å; Q308-L312 PolarHBondContact O-N 2.88Å
309	L	91.9	Very high	76.5	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-70.2	-25	176.9	-69.7	177.1	0	0	0	114.3	L259 L267 F280 L305 R307 L312 G313 Y314 L315 L335	L259-L309 HydrophobicContact CD1-CD2 3.89Å; L259-L309 HydrophobicContact CD1-CG 4.32Å; L267-L309 HydrophobicContact CD1-CD2 4.08Å; F280-L309 HydrophobicContact CB-CD1 4.24Å; F280-L309 HydrophobicContact CD1-CD1 4.03Å; F280-L309 HydrophobicContact CD1-CD2 4.01Å; F280-L309 HydrophobicContact CD2-CD1 3.98Å; F280-L309 HydrophobicContact CD2-CD2 4.44Å; F280-L309 HydrophobicContact CE1-CD1 4.39Å; F280-L309 HydrophobicContact CE1-CD2 3.56Å; F280-L309 HydrophobicContact CE2-CD1 4.34Å; F280-L309 HydrophobicContact CE2-CD2 4.03Å; F280-L309 HydrophobicContact CG-CD1 3.81Å; F280-L309 HydrophobicContact CG-CD2 4.43Å; F280-L309 HydrophobicContact CZ-CD2 3.57Å; L305-L309 HydrophobicContact CD2-CD1 3.76Å; L305-L309 HydrophobicContact CD2-CG 4.47Å; L305-L309 WeakPolarHBondContact O-CG 3.36Å; L305-L309 PolarHBondContact O-N 2.87Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 PolarHBondContact O-N 3.48Å; L309-L312 HydrophobicContact CD2-CD1 4.44Å; L309-G313 PolarHBondContact O-N 2.87Å; L309-Y314 PolarHBondContact O-N 2.8Å; L309-L315 HydrophobicContact CB-CD1 3.63Å; L309-L315 HydrophobicContact CB-CG 3.88Å; L309-L315 HydrophobicContact CD1-CD1 4.03Å; L309-L315 PolarHBondContact O-N 3.35Å; L309-L335 HydrophobicContact CD1-CB 4.34Å; L309-L335 HydrophobicContact CD1-CD1 4.12Å; L309-L335 HydrophobicContact CD1-CD2 4.32Å; L309-L335 HydrophobicContact CD1-CG 4.48Å
310	I	90.9	Very high	76.4	Confident	38 Å²	38	67.9 Å²	67.9	20%	0.195	35%	0.352	C	S	.	.	H	α-helix	trans	-71.2	-44	168.7	-75.6	179.8	0	0	0	110.4	Y306 R307 Q308 L312 G313 L315	Y306-I310 HydrophobicContact CD1-CD1 3.75Å; Y306-I310 HydrophobicContact CD1-CG1 4.35Å; Y306-I310 HydrophobicContact CE1-CD1 3.23Å; Y306-I310 HydrophobicContact CE1-CG1 4.1Å; Y306-I310 WeakPolarHBondContact O-CG1 3.18Å; Y306-I310 PolarHBondContact O-N 2.89Å; Y306-I310 VanDerWaalsContact O-N 3.14Å; R307-I310 WeakPolarHBondContact O-CA 3.17Å; R307-I310 WeakPolarHBondContact O-CB 3.46Å; R307-I310 PolarHBondContact O-N 3.1Å; Q308-I310 VanDerWaalsContact C-N 3.34Å; Q308-I310 PolarHBondContact O-N 3.45Å; I310-L312 VanDerWaalsContact C-N 3.29Å; I310-L312 PolarHBondContact O-N 2.79Å; I310-G313 WeakPolarHBondContact O-CA 3.33Å; I310-G313 PolarHBondContact O-N 2.85Å; I310-L315 HydrophobicContact CG1-CB 3.77Å
311	D	91.3	Very high	76	Confident	135 Å²	135	70.2 Å²	70.2	72%	0.722	36%	0.357	S	S	*	.	H	α-helix	trans	-65.7	-37.3	-179.2	-64.3	-24.8	0	0	0	110.9	R307 Q308 G313	R307-D311 PolarHBondContact O-N 3.5Å; Q308-D311 PolarHBondContact O-N 3.13Å; D311-G313 PolarHBondContact O-N 3.2Å
312	L	91.6	Very high	75.3	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.068	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.3	168.3	-66.5	176.7	0	0	0	113.6	L259 E264 L267 Q268 R271 Q308 L309 I310 Y314	L259-L312 HydrophobicContact CD1-CD1 3.76Å; E264-L312 HydrophobicContact CG-CD1 4.37Å; L267-L312 HydrophobicContact CB-CD1 4.04Å; L267-L312 HydrophobicContact CD1-CD1 3.99Å; Q268-L312 HydrophobicContact CG-CD2 3.41Å; Q268-L312 VanDerWaalsContact CG-CD2 3.41Å; R271-L312 WeakPolarHBondContact CD-O 3.21Å; R271-L312 VanDerWaalsContact CZ-O 3.25Å; R271-L312 PolarHBondContact NE-O 3.01Å; R271-L312 VanDerWaalsContact NH1-C 3.27Å; R271-L312 PolarHBondContact NH1-O 2.91Å; Q308-L312 WeakPolarHBondContact O-CB 3.13Å; Q308-L312 VanDerWaalsContact O-CG 3.27Å; Q308-L312 WeakPolarHBondContact O-CG 3.4Å; Q308-L312 PolarHBondContact O-N 2.88Å; L309-L312 HydrophobicContact CD2-CD1 4.44Å; I310-L312 VanDerWaalsContact C-N 3.29Å; I310-L312 PolarHBondContact O-N 2.79Å; L312-Y314 VanDerWaalsContact C-N 3.31Å; L312-Y314 HydrophobicContact CB-CD2 3.89Å; L312-Y314 HydrophobicContact CB-CE2 4.38Å; L312-Y314 PolarHBondContact O-N 3.26Å
313	G	89.8	Confident	73.4	Confident	25 Å²	25	65.7 Å²	65.7	26%	0.258	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	28.7	177.4	0	0	0	0	0	116	R271 L309 I310 D311	R271-G313 VanDerWaalsContact CZ-C 3.44Å; R271-G313 VanDerWaalsContact CZ-CA 3.43Å; R271-G313 PolarHBondContact NE-O 3.4Å; R271-G313 PolarHBondContact NH2-O 2.83Å; L309-G313 PolarHBondContact O-N 2.87Å; I310-G313 WeakPolarHBondContact O-CA 3.33Å; I310-G313 PolarHBondContact O-N 2.85Å; D311-G313 PolarHBondContact O-N 3.2Å
314	Y	89.4	Confident	71	Confident	18 Å²	18	70.7 Å²	70.7	7%	0.071	40%	0.395	C	S	.	.	S	Bend	trans	-78	-37.2	167.2	-79.8	-83.6	0	0	0	111.5	L267 R271 V278 F280 L309 L312 S333	L267-Y314 HydrophobicContact CB-CE2 3.87Å; L267-Y314 HydrophobicContact CD2-CE2 4.24Å; L267-Y314 PolarHBondContact O-OH 2.85Å; R271-Y314 HydrophobicContact CB-CE2 4.2Å; R271-Y314 PolarHBondContact N-OH 2.9Å; V278-Y314 HydrophobicContact CB-CD1 4.22Å; V278-Y314 HydrophobicContact CB-CE1 4.14Å; V278-Y314 HydrophobicContact CG2-CD1 4.11Å; V278-Y314 HydrophobicContact CG2-CE1 3.56Å; F280-Y314 AromaticContact CE2-CD1 3.81Å; F280-Y314 HydrophobicContact CE2-CD1 3.81Å; F280-Y314 AromaticContact CE2-CG 3.84Å; F280-Y314 HydrophobicContact CE2-CG 3.84Å; F280-Y314 AromaticContact CZ-CD1 3.83Å; F280-Y314 HydrophobicContact CZ-CD1 3.83Å; F280-Y314 HydrophobicContact CZ-CD2 4.15Å; F280-Y314 HydrophobicContact CZ-CE1 4.22Å; F280-Y314 AromaticContact CZ-CG 3.79Å; F280-Y314 HydrophobicContact CZ-CG 3.79Å; L309-Y314 PolarHBondContact O-N 2.8Å; L312-Y314 VanDerWaalsContact C-N 3.31Å; L312-Y314 HydrophobicContact CB-CD2 3.89Å; L312-Y314 HydrophobicContact CB-CE2 4.38Å; L312-Y314 PolarHBondContact O-N 3.26Å; Y314-S333 VanDerWaalsContact O-CB 3.29Å; Y314-S333 WeakPolarHBondContact O-CB 3.4Å
315	L	89.4	Confident	68.6	Low	21 Å²	21	70.9 Å²	70.9	11%	0.11	40%	0.401	C	S	.	.	S	Bend	trans	-108.4	153.9	-178.3	-56.1	179.3	0	0	0	111.7	Y306 L309 I310 S333 L335	Y306-L315 HydrophobicContact CD2-CD1 3.55Å; Y306-L315 HydrophobicContact CE2-CD1 3.71Å; Y306-L315 HydrophobicContact CG-CD1 4.21Å; L309-L315 HydrophobicContact CB-CD1 3.63Å; L309-L315 HydrophobicContact CB-CG 3.88Å; L309-L315 HydrophobicContact CD1-CD1 4.03Å; L309-L315 PolarHBondContact O-N 3.35Å; I310-L315 HydrophobicContact CG1-CB 3.77Å; L315-S333 WeakPolarHBondContact CD2-O 3.37Å; L315-L335 HydrophobicContact CD1-CB 3.96Å
316	S	80.1	Confident	66.3	Low	51 Å²	51	73.1 Å²	73.1	36%	0.357	42%	0.424	S	S	.	.			trans	-101.6	143.8	175.2	179.8	0	0	0	0	111.8	Y306 S318	Y306-S316 PolarHBondContact OH-O 3.04Å; S316-S318 VanDerWaalsContact C-N 3.25Å; S316-S318 PolarHBondContact O-N 3.04Å; S316-S318 PolarHBondContact OG-N 3.47Å; S316-S318 PolarHBondContact OG-OG 3.07Å
317	S	62.5	Low	64.3	Low	76 Å²	76	76.9 Å²	76.9	53%	0.531	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.3	178.1	63.6	0	0	0	0	114.2	R302	R302-S317 PolarHBondContact NH2-O 3.23Å
318	S	53.3	Low	62.2	Low	84 Å²	84	78 Å²	78	59%	0.587	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-5	-167	55.7	0	0	0	0	116.5	S316	S316-S318 VanDerWaalsContact C-N 3.25Å; S316-S318 PolarHBondContact O-N 3.04Å; S316-S318 PolarHBondContact OG-N 3.47Å; S316-S318 PolarHBondContact OG-OG 3.07Å
319	H	48	Very low	60.4	Low	134 Å²	134	80.4 Å²	80.4	62%	0.62	48%	0.475	S	S	*	.			trans	-123.1	92.4	-175.6	-76.1	-72.3	0	0	0	112.7
320	W	40.7	Very low	59.4	Low	164 Å²	164	87.7 Å²	87.7	62%	0.621	51%	0.506	S	S	*	.			trans	-105.1	100.7	151.8	-94.1	60.9	0	0	0	107	Y306	Y306-W320 AromaticContact CZ-NE1 3.82Å
321	N	32.7	Very low	58.7	Low	153 Å²	153	86.5 Å²	86.5	82%	0.818	50%	0.502	S	S	*	.			trans	-161.4	117.5	154.2	-101.2	-20.1	0	0	0	110	G323	N321-G323 PolarHBondContact O-N 3.39Å
322	C	36.4	Very low	58.6	Low	127 Å²	127	84.9 Å²	84.9	86%	0.858	49%	0.49	S	S	*	.			trans	-71.1	57.7	159.7	-164.3	0	0	0	0	108.9
323	G	28.7	Very low	58.6	Low	48 Å²	48	85.1 Å²	85.1	50%	0.495	49%	0.493	S	S	.	.			trans	-118.2	144.1	-178.2	0	0	0	0	0	109.8	N321	N321-G323 PolarHBondContact O-N 3.39Å
324	T	30.5	Very low	58.6	Low	137 Å²	137	86.5 Å²	86.5	84%	0.84	50%	0.496	S	S	*	.			trans	-31.4	129	176	40.3	0	0	0	0	113.3	G326	T324-G326 PolarHBondContact O-N 3.03Å
325	P	35.5	Very low	58.7	Low	91 Å²	91	86.9 Å²	86.9	59%	0.591	50%	0.499	S	S	*	.			trans	-58	127.6	-175.7	21.1	-30.1	0	0	0	110.8
326	G	39.5	Very low	58.7	Low	47 Å²	47	86.4 Å²	86.4	49%	0.485	50%	0.497	S	S	.	.			trans	-62.9	150.8	166.4	0	0	0	0	0	110.7	T324 D328 T329	T324-G326 PolarHBondContact O-N 3.03Å; G326-D328 PolarHBondContact O-N 2.94Å; G326-T329 PolarHBondContact O-N 3.22Å; G326-T329 PolarHBondContact O-OG1 3.28Å
327	Q	47.5	Very low	58.9	Low	104 Å²	104	87.7 Å²	87.7	49%	0.486	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	1.2	-163	-87.8	167.7	-21.4	0	0	117.6	G675	Q327-G675 PolarHBondContact OE1-O 3.42Å
328	D	43.9	Very low	59.7	Low	147 Å²	147	89.2 Å²	89.2	79%	0.786	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.4	19.5	-177	-88.5	-34.5	0	0	0	114.1	G326 K330	G326-D328 PolarHBondContact O-N 2.94Å; D328-K330 PolarHBondContact O-N 2.77Å
329	T	55	Low	60.8	Low	76 Å²	76	88.1 Å²	88.1	47%	0.466	49%	0.489	S	S	.	.			trans	-79.9	100.4	-176.9	52.7	0	0	0	0	111.6	G326 A331	G326-T329 PolarHBondContact O-N 3.22Å; G326-T329 PolarHBondContact O-OG1 3.28Å; T329-A331 PolarHBondContact O-N 3.39Å
330	K	70.1	Confident	62.1	Low	153 Å²	153	89.8 Å²	89.8	67%	0.665	50%	0.497	S	S	*	.			trans	-42.9	135.1	158.4	-169.7	176.1	-175.7	178.4	0	109.1	D328 Q332 T355	D328-K330 PolarHBondContact O-N 2.77Å; K330-Q332 WeakPolarHBondContact O-CG 3.43Å; K330-Q332 PolarHBondContact O-N 2.81Å; K330-T355 HydrophobicContact CG-CG2 4.16Å
331	A	77.9	Confident	64.1	Low	12 Å²	12	86.1 Å²	86.1	10%	0.099	49%	0.485	C	S	.	.			trans	-52.5	126	179.3	0	0	0	0	0	110.7	P277 T329 Q351 V352	P277-A331 HydrophobicContact CB-CB 4.42Å; P277-A331 HydrophobicContact CG-CB 3.9Å; T329-A331 PolarHBondContact O-N 3.39Å; A331-Q351 HydrophobicContact CB-CB 3.88Å; A331-V352 HydrophobicContact CB-CB 4.44Å; A331-V352 HydrophobicContact CB-CG2 3.77Å
332	Q	87.3	Confident	66.6	Low	101 Å²	101	79.5 Å²	79.5	47%	0.472	45%	0.45	S	S	.	.			trans	-110.5	153.4	178.5	-66	-174.8	-6.4	0	0	109.6	K330 F348	K330-Q332 WeakPolarHBondContact O-CG 3.43Å; K330-Q332 PolarHBondContact O-N 2.81Å; Q332-F348 WeakPolarHBondContact O-CE2 3.44Å
333	S	91.9	Very high	68.9	Low	18 Å²	18	81 Å²	81	13%	0.126	44%	0.437	C	S	.	.			trans	-65.7	147.4	173.2	-46.9	0	0	0	0	110.3	P277 V278 Y314 L315	P277-S333 WeakPolarHBondContact CA-OG 3.15Å; V278-S333 PolarHBondContact N-OG 3.13Å; V278-S333 CarbonylContact O-C 3.58Å; V278-S333 WeakPolarHBondContact O-CA 3.29Å; V278-S333 WeakPolarHBondContact O-CB 3.2Å; Y314-S333 VanDerWaalsContact O-CB 3.29Å; Y314-S333 WeakPolarHBondContact O-CB 3.4Å; L315-S333 WeakPolarHBondContact CD2-O 3.37Å
334	V	91.3	Very high	71.8	Confident	55 Å²	55	81.3 Å²	81.3	33%	0.333	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.1	-175.2	-179.1	0	0	0	0	109.3	V278 F280 V336 F348	V278-V334 PolarHBondContact O-N 3.36Å; F280-V334 PolarHBondContact N-O 3.13Å; V334-V336 HydrophobicContact CG1-CG2 4.04Å; V334-F348 HydrophobicContact CG2-CD2 4.42Å
335	L	91.4	Very high	74.7	Confident	26 Å²	26	74.9 Å²	74.9	14%	0.136	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.8	169.3	176.1	66.5	0	0	0	110.6	L254 F280 L305 Y306 L309 L315 E337	L254-L335 HydrophobicContact CD1-CD1 3.83Å; F280-L335 HydrophobicContact CB-CB 4.39Å; F280-L335 HydrophobicContact CB-CD1 3.63Å; L305-L335 HydrophobicContact CD2-CD1 3.38Å; L305-L335 HydrophobicContact CD2-CD2 3.51Å; L305-L335 HydrophobicContact CD2-CG 4.08Å; Y306-L335 HydrophobicContact CD2-CD2 4.09Å; L309-L335 HydrophobicContact CD1-CB 4.34Å; L309-L335 HydrophobicContact CD1-CD1 4.12Å; L309-L335 HydrophobicContact CD1-CD2 4.32Å; L309-L335 HydrophobicContact CD1-CG 4.48Å; L315-L335 HydrophobicContact CD1-CB 3.96Å; L335-E337 HydrophobicContact CD1-CG 4.2Å; L335-E337 HydrophobicContact CD2-CG 3.95Å; L335-E337 HydrophobicContact CG-CG 3.92Å
336	V	89.3	Confident	77.4	Confident	10 Å²	10	71 Å²	71	6%	0.061	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	106.2	176.4	179.9	0	0	0	0	109.4	F279 F280 F281 K282 V334 K341 H344	F279-V336 HydrophobicContact CE1-CG2 4.38Å; F279-V336 HydrophobicContact CE2-CG2 3.77Å; F279-V336 HydrophobicContact CZ-CB 4.15Å; F279-V336 HydrophobicContact CZ-CG2 3.58Å; F280-V336 PolarHBondContact O-N 2.94Å; F281-V336 HydrophobicContact CD2-CB 4Å; F281-V336 HydrophobicContact CD2-CG1 3.88Å; F281-V336 HydrophobicContact CE2-CG1 4.03Å; K282-V336 PolarHBondContact N-O 3.47Å; V334-V336 HydrophobicContact CG1-CG2 4.04Å; V336-K341 HydrophobicContact CG1-CB 3.48Å; V336-K341 VanDerWaalsContact CG1-CB 3.48Å; V336-H344 HydrophobicContact CG2-CB 4.48Å
337	E	83.5	Confident	79.8	Confident	79 Å²	79	72.3 Å²	72.3	37%	0.369	36%	0.36	S	S	.	.			trans	-92.9	-10.5	-177.4	-66.2	177.2	113.9	0	0	113.9	K282 S303 L335	K282-E337 HydrophobicContact CB-CB 4.47Å; K282-E337 HydrophobicContact CD-CB 4.37Å; K282-E337 HydrophobicContact CD-CG 4.36Å; S303-E337 WeakPolarHBondContact CB-OE1 3.48Å; S303-E337 PolarHBondContact OG-OE1 3.48Å; S303-E337 PolarHBondContact OG-OE2 3.37Å; L335-E337 HydrophobicContact CD1-CG 4.2Å; L335-E337 HydrophobicContact CD2-CG 3.95Å; L335-E337 HydrophobicContact CG-CG 3.92Å
338	Q	80.3	Confident	81.9	Confident	108 Å²	108	67.6 Å²	67.6	51%	0.505	34%	0.338	S	S	.	.			trans	-105.2	125.3	-177.8	-67.1	174.3	-25.6	0	0	110.5	E340 K341	Q338-E340 VanDerWaalsContact C-N 3.34Å; Q338-E340 PolarHBondContact O-N 3.43Å; Q338-K341 HydrophobicContact CB-CB 4.32Å; Q338-K341 HydrophobicContact CB-CD 4.19Å; Q338-K341 HydrophobicContact CB-CG 4.15Å; Q338-K341 WeakPolarHBondContact O-CB 3.4Å; Q338-K341 PolarHBondContact O-N 2.89Å
339	S	74.8	Confident	84.2	Confident	61 Å²	61	60.7 Å²	60.7	43%	0.427	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-58.8	-41.6	-176.5	52.5	0	0	0	0	113.4	K341 L342	S339-K341 PolarHBondContact O-N 3.16Å; S339-L342 PolarHBondContact O-N 3.35Å; S339-L342 VanDerWaalsContact O-N 3.08Å
340	E	76	Confident	85.9	Confident	169 Å²	169	58.7 Å²	58.7	79%	0.79	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-52.8	-24.1	173.7	-59.5	-89.5	176.8	0	0	113.4	Q338	Q338-E340 VanDerWaalsContact C-N 3.34Å; Q338-E340 PolarHBondContact O-N 3.43Å
341	K	82.5	Confident	86.9	Confident	86 Å²	86	53.2 Å²	53.2	37%	0.374	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-94.3	7.2	-176.1	-70.9	-170.8	175.1	161.1	0	113.4	V336 Q338 S339 R343 H344	V336-K341 HydrophobicContact CG1-CB 3.48Å; V336-K341 VanDerWaalsContact CG1-CB 3.48Å; Q338-K341 HydrophobicContact CB-CB 4.32Å; Q338-K341 HydrophobicContact CB-CD 4.19Å; Q338-K341 HydrophobicContact CB-CG 4.15Å; Q338-K341 WeakPolarHBondContact O-CB 3.4Å; Q338-K341 PolarHBondContact O-N 2.89Å; S339-K341 PolarHBondContact O-N 3.16Å; K341-R343 PolarHBondContact O-N 3.4Å; K341-H344 WeakPolarHBondContact CB-ND1 3.19Å; K341-H344 WeakPolarHBondContact O-CB 3.24Å; K341-H344 PolarHBondContact O-N 2.98Å; K341-H344 PolarHBondContact O-ND1 2.95Å
342	L	84.8	Confident	87.5	Confident	15 Å²	15	53 Å²	53	8%	0.079	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.4	174	-175.6	60.6	0	0	0	112.6	M25 L129 L132 F279 F281 S339 H344 L345	M25-L342 HydrophobicContact CE-CD2 3.95Å; M25-L342 HydrophobicContact CE-CG 4.31Å; M25-L342 HydrophobicContact SD-CB 4.23Å; M25-L342 HydrophobicContact SD-CD2 3.91Å; M25-L342 HydrophobicContact SD-CG 3.62Å; L129-L342 HydrophobicContact CD1-CD1 3.93Å; L132-L342 HydrophobicContact CB-CD2 3.96Å; F279-L342 HydrophobicContact CE1-CD1 4.32Å; F281-L342 HydrophobicContact CD1-CD1 4.02Å; F281-L342 HydrophobicContact CD2-CB 4.45Å; F281-L342 HydrophobicContact CD2-CD1 3.74Å; F281-L342 HydrophobicContact CE1-CD1 3.95Å; F281-L342 HydrophobicContact CE2-CB 3.65Å; F281-L342 HydrophobicContact CE2-CD1 3.7Å; F281-L342 HydrophobicContact CE2-CG 4.23Å; F281-L342 HydrophobicContact CG-CD1 3.9Å; F281-L342 HydrophobicContact CZ-CB 3.76Å; F281-L342 HydrophobicContact CZ-CD1 3.79Å; F281-L342 HydrophobicContact CZ-CD2 4.4Å; F281-L342 HydrophobicContact CZ-CG 4.16Å; S339-L342 PolarHBondContact O-N 3.35Å; S339-L342 VanDerWaalsContact O-N 3.08Å; L342-H344 PolarHBondContact O-N 2.75Å; L342-L345 WeakPolarHBondContact O-CB 3.35Å; L342-L345 PolarHBondContact O-N 3.41Å
343	R	86.4	Confident	87.7	Confident	158 Å²	158	48.2 Å²	48.2	60%	0.596	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-24.7	173.8	68.6	-178.2	-175.5	-168.7	-1.3	114.7	M25 K341 L345 S346	M25-R343 HydrophobicContact CB-CB 4.49Å; K341-R343 PolarHBondContact O-N 3.4Å; R343-L345 PolarHBondContact O-N 3.47Å; R343-L345 VanDerWaalsContact O-N 3.17Å; R343-S346 WeakPolarHBondContact O-CB 3.3Å; R343-S346 PolarHBondContact O-N 3.13Å; R343-S346 PolarHBondContact O-OG 3.4Å
344	H	88.6	Confident	87.7	Confident	54 Å²	54	49.4 Å²	49.4	25%	0.25	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-17.5	175.9	-65.2	90.6	0	0	0	113.1	F279 V336 K341 L342 S346 T347 F348	F279-H344 HydrophobicContact CE2-CB 4.03Å; F279-H344 HydrophobicContact CZ-CB 4.22Å; V336-H344 HydrophobicContact CG2-CB 4.48Å; K341-H344 WeakPolarHBondContact CB-ND1 3.19Å; K341-H344 WeakPolarHBondContact O-CB 3.24Å; K341-H344 PolarHBondContact O-N 2.98Å; K341-H344 PolarHBondContact O-ND1 2.95Å; L342-H344 PolarHBondContact O-N 2.75Å; H344-S346 PolarHBondContact O-N 3.29Å; H344-T347 PolarHBondContact O-N 2.85Å; H344-T347 VanDerWaalsContact O-N 3.13Å; H344-F348 PolarHBondContact O-N 2.79Å
345	L	91.6	Very high	87.6	Confident	2 Å²	2	48 Å²	48	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-33.2	170.5	-178.6	60.9	0	0	0	111.6	L29 L133 F279 L342 R343 F348 S349	L29-L345 HydrophobicContact CD2-CG 4.34Å; L133-L345 HydrophobicContact CD1-CD2 3.66Å; F279-L345 HydrophobicContact CB-CD1 4.23Å; F279-L345 HydrophobicContact CD1-CB 4.46Å; F279-L345 HydrophobicContact CD1-CD1 3.93Å; F279-L345 HydrophobicContact CD2-CD1 4.4Å; F279-L345 HydrophobicContact CE1-CB 4.02Å; F279-L345 HydrophobicContact CE1-CD1 4.34Å; F279-L345 HydrophobicContact CE2-CB 4.38Å; F279-L345 HydrophobicContact CG-CD1 3.94Å; F279-L345 HydrophobicContact CZ-CB 3.97Å; L342-L345 WeakPolarHBondContact O-CB 3.35Å; L342-L345 PolarHBondContact O-N 3.41Å; R343-L345 PolarHBondContact O-N 3.47Å; R343-L345 VanDerWaalsContact O-N 3.17Å; L345-F348 HydrophobicContact CD1-CD1 4.29Å; L345-S349 VanDerWaalsContact O-CB 3.23Å; L345-S349 WeakPolarHBondContact O-CB 3.38Å; L345-S349 PolarHBondContact O-N 3.4Å; L345-S349 PolarHBondContact O-OG 3.25Å
346	S	91.1	Very high	87.5	Confident	11 Å²	11	50.5 Å²	50.5	8%	0.077	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-44.1	176.8	75.9	0	0	0	0	111.6	E28 R343 H344 H350	E28-S346 PolarHBondContact OE2-OG 3.28Å; R343-S346 WeakPolarHBondContact O-CB 3.3Å; R343-S346 PolarHBondContact O-N 3.13Å; R343-S346 PolarHBondContact O-OG 3.4Å; H344-S346 PolarHBondContact O-N 3.29Å; S346-H350 WeakPolarHBondContact O-CB 3.43Å; S346-H350 PolarHBondContact O-N 2.9Å
347	T	89.9	Confident	87.7	Confident	73 Å²	73	50.2 Å²	50.2	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-70.6	-44.6	179.6	-59.1	0	0	0	0	111	H344 H350 Q351	H344-T347 PolarHBondContact O-N 2.85Å; H344-T347 VanDerWaalsContact O-N 3.13Å; T347-H350 WeakPolarHBondContact O-CB 3.39Å; T347-H350 PolarHBondContact O-N 2.92Å; T347-Q351 WeakPolarHBondContact O-CG 3.47Å; T347-Q351 PolarHBondContact O-N 2.95Å
348	F	92.3	Very high	88.2	Confident	5 Å²	5	47.2 Å²	47.2	2%	0.022	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-52.8	174.7	174.7	-95	0	0	0	111.6	V249 P277 F279 Q332 V334 H344 L345 H350 Q351 V352	V249-F348 HydrophobicContact CG1-CD1 3.96Å; V249-F348 HydrophobicContact CG1-CE1 3.8Å; P277-F348 HydrophobicContact CB-CE2 3.96Å; P277-F348 HydrophobicContact CB-CZ 4.04Å; P277-F348 HydrophobicContact CG-CE2 4.43Å; P277-F348 HydrophobicContact CG-CZ 4.22Å; F279-F348 HydrophobicContact CB-CD1 3.69Å; F279-F348 HydrophobicContact CB-CD2 4.38Å; F279-F348 HydrophobicContact CB-CE1 3.65Å; F279-F348 HydrophobicContact CB-CE2 4.34Å; F279-F348 HydrophobicContact CB-CG 4.06Å; F279-F348 HydrophobicContact CB-CZ 3.99Å; F279-F348 HydrophobicContact CD2-CB 3.71Å; F279-F348 HydrophobicContact CD2-CD1 4.1Å; F279-F348 HydrophobicContact CD2-CD2 4.16Å; F279-F348 AromaticContact CD2-CG 3.73Å; F279-F348 HydrophobicContact CD2-CG 3.73Å; F279-F348 HydrophobicContact CE2-CB 4.21Å; F279-F348 HydrophobicContact CG-CD1 4.25Å; F279-F348 HydrophobicContact CG-CG 4.32Å; Q332-F348 WeakPolarHBondContact O-CE2 3.44Å; V334-F348 HydrophobicContact CG2-CD2 4.42Å; H344-F348 PolarHBondContact O-N 2.79Å; L345-F348 HydrophobicContact CD1-CD1 4.29Å; F348-H350 PolarHBondContact O-N 3.44Å; F348-Q351 PolarHBondContact O-N 3.31Å; F348-V352 HydrophobicContact CD1-CG2 4.24Å; F348-V352 HydrophobicContact CE1-CG2 3.83Å; F348-V352 HydrophobicContact CE2-CG2 4.22Å; F348-V352 HydrophobicContact CZ-CG2 3.82Å; F348-V352 WeakPolarHBondContact O-CG2 3.23Å; F348-V352 PolarHBondContact O-N 2.82Å
349	S	92.8	Very high	88.8	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-55.5	-43.8	177.3	-55.7	0	0	0	0	110.6	L345 Q351 V352 L353	L345-S349 VanDerWaalsContact O-CB 3.23Å; L345-S349 WeakPolarHBondContact O-CB 3.38Å; L345-S349 PolarHBondContact O-N 3.4Å; L345-S349 PolarHBondContact O-OG 3.25Å; S349-Q351 PolarHBondContact O-N 3.41Å; S349-V352 PolarHBondContact O-N 2.87Å; S349-L353 WeakPolarHBondContact O-CB 3.48Å; S349-L353 WeakPolarHBondContact O-CG 3.21Å; S349-L353 PolarHBondContact O-N 2.75Å
350	H	90.7	Very high	89.7	Confident	34 Å²	34	42 Å²	42	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-46	177.6	-169	67	0	0	0	112.4	S346 T347 F348 Q354 R652	S346-H350 WeakPolarHBondContact O-CB 3.43Å; S346-H350 PolarHBondContact O-N 2.9Å; T347-H350 WeakPolarHBondContact O-CB 3.39Å; T347-H350 PolarHBondContact O-N 2.92Å; F348-H350 PolarHBondContact O-N 3.44Å; H350-Q354 WeakPolarHBondContact O-CB 3.45Å; H350-Q354 PolarHBondContact O-N 3.49Å; H350-R652 PolarHBondContact CE1-NH1 3.21Å; H350-R652 VanDerWaalsContact NE2-CZ 3.34Å; H350-R652 PolarHBondContact NE2-NH1 3.44Å; H350-R652 PolarHBondContact NE2-NH2 3.38Å
351	Q	89.8	Confident	90.7	Very high	39 Å²	39	33.9 Å²	33.9	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-42.7	179.7	-71.5	173.3	-17.9	0	0	112.1	A331 T347 F348 S349 Q354 T355	A331-Q351 HydrophobicContact CB-CB 3.88Å; T347-Q351 WeakPolarHBondContact O-CG 3.47Å; T347-Q351 PolarHBondContact O-N 2.95Å; F348-Q351 PolarHBondContact O-N 3.31Å; S349-Q351 PolarHBondContact O-N 3.41Å; Q351-Q354 PolarHBondContact O-N 3.14Å; Q351-T355 WeakPolarHBondContact O-CB 3.49Å; Q351-T355 PolarHBondContact O-N 3.05Å; Q351-T355 PolarHBondContact O-OG1 2.87Å
352	V	90.9	Very high	91.3	Very high	6 Å²	6	35 Å²	35	4%	0.036	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-52.1	178	175.7	0	0	0	0	110.5	V249 P277 A331 F348 S349 T355 R356	V249-V352 HydrophobicContact CG2-CG1 4.5Å; P277-V352 HydrophobicContact CG-CG2 3.62Å; A331-V352 HydrophobicContact CB-CB 4.44Å; A331-V352 HydrophobicContact CB-CG2 3.77Å; F348-V352 HydrophobicContact CD1-CG2 4.24Å; F348-V352 HydrophobicContact CE1-CG2 3.83Å; F348-V352 HydrophobicContact CE2-CG2 4.22Å; F348-V352 HydrophobicContact CZ-CG2 3.82Å; F348-V352 WeakPolarHBondContact O-CG2 3.23Å; F348-V352 PolarHBondContact O-N 2.82Å; S349-V352 PolarHBondContact O-N 2.87Å; V352-T355 PolarHBondContact O-N 3.48Å; V352-R356 PolarHBondContact O-N 2.99Å
353	L	91.9	Very high	91.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-43.1	-179.9	-67.6	176.3	0	0	0	112.2	F33 Y36 P114 L247 V249 S349 R356 L357	F33-L353 HydrophobicContact CD1-CD1 3.57Å; F33-L353 HydrophobicContact CE1-CD1 3.6Å; F33-L353 HydrophobicContact CE1-CD2 4.31Å; F33-L353 HydrophobicContact CE1-CG 4.42Å; F33-L353 HydrophobicContact CG-CD1 4.23Å; F33-L353 HydrophobicContact CZ-CD1 4.26Å; Y36-L353 HydrophobicContact CD1-CD2 4.26Å; Y36-L353 HydrophobicContact CD2-CB 3.54Å; Y36-L353 HydrophobicContact CD2-CD2 3.89Å; Y36-L353 HydrophobicContact CD2-CG 4.17Å; Y36-L353 HydrophobicContact CE1-CD2 4.36Å; Y36-L353 HydrophobicContact CE2-CB 4.1Å; Y36-L353 HydrophobicContact CE2-CD2 3.94Å; Y36-L353 HydrophobicContact CG-CB 4.1Å; Y36-L353 HydrophobicContact CG-CD1 4.25Å; Y36-L353 HydrophobicContact CG-CD2 4.03Å; Y36-L353 HydrophobicContact CG-CG 4.35Å; P114-L353 HydrophobicContact CB-CD2 3.68Å; L247-L353 HydrophobicContact CD2-CD2 3.83Å; V249-L353 HydrophobicContact CG2-CD2 4.38Å; V249-L353 HydrophobicContact CG2-CG 4.48Å; S349-L353 WeakPolarHBondContact O-CB 3.48Å; S349-L353 WeakPolarHBondContact O-CG 3.21Å; S349-L353 PolarHBondContact O-N 2.75Å; L353-R356 PolarHBondContact O-N 2.63Å; L353-L357 PolarHBondContact O-N 3.01Å
354	Q	91.4	Very high	92.3	Very high	42 Å²	42	27.8 Å²	27.8	20%	0.196	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-45.9	178.2	-178.3	-174.4	7.3	0	0	111.4	H350 Q351 R356 L357 V358 L649	H350-Q354 WeakPolarHBondContact O-CB 3.45Å; H350-Q354 PolarHBondContact O-N 3.49Å; Q351-Q354 PolarHBondContact O-N 3.14Å; Q354-R356 VanDerWaalsContact C-N 3.29Å; Q354-R356 PolarHBondContact O-N 2.83Å; Q354-L357 PolarHBondContact O-N 2.9Å; Q354-V358 HydrophobicContact CG-CG2 4.33Å; Q354-V358 VanDerWaalsContact O-CG2 3.29Å; Q354-V358 WeakPolarHBondContact O-CG2 3.46Å; Q354-V358 PolarHBondContact O-N 3.27Å; Q354-L649 PolarHBondContact NE2-O 2.94Å
355	T	90.1	Very high	92.7	Very high	27 Å²	27	25.6 Å²	25.6	17%	0.166	13%	0.13	C	C	.	.	H	α-helix	trans	-55.8	-46.6	179	-58.1	0	0	0	0	110.5	K330 Q351 V352 L357 V358 D359	K330-T355 HydrophobicContact CG-CG2 4.16Å; Q351-T355 WeakPolarHBondContact O-CB 3.49Å; Q351-T355 PolarHBondContact O-N 3.05Å; Q351-T355 PolarHBondContact O-OG1 2.87Å; V352-T355 PolarHBondContact O-N 3.48Å; T355-L357 PolarHBondContact O-N 2.98Å; T355-V358 PolarHBondContact O-N 2.82Å; T355-D359 VanDerWaalsContact O-CG 3.32Å; T355-D359 PolarHBondContact O-N 2.92Å
356	R	89.9	Confident	92.8	Very high	78 Å²	78	30.5 Å²	30.5	29%	0.294	16%	0.156	S	C	.	.	H	α-helix	trans	-61.9	-44.5	178.6	-69.8	-55.4	-169.6	-170.3	3.8	113.6	L247 V352 L353 Q354 D359 A360	L247-R356 HydrophobicContact CD1-CG 3.75Å; L247-R356 HydrophobicContact CD2-CB 3.94Å; L247-R356 HydrophobicContact CD2-CG 3.73Å; L247-R356 HydrophobicContact CG-CG 4.4Å; V352-R356 PolarHBondContact O-N 2.99Å; L353-R356 PolarHBondContact O-N 2.63Å; Q354-R356 VanDerWaalsContact C-N 3.29Å; Q354-R356 PolarHBondContact O-N 2.83Å; R356-D359 PolarHBondContact O-N 2.84Å; R356-A360 WeakPolarHBondContact O-CB 3.5Å; R356-A360 PolarHBondContact O-N 3.16Å; R356-A360 VanDerWaalsContact O-N 3.08Å
357	L	92.4	Very high	93	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-37.6	177.1	-70.2	176.3	0	0	0	112.4	Y36 L40 L43 L353 Q354 T355 A360 A361 L649	Y36-L357 HydrophobicContact CD2-CD1 3.36Å; Y36-L357 HydrophobicContact CD2-CD2 4.2Å; Y36-L357 HydrophobicContact CD2-CG 3.62Å; Y36-L357 HydrophobicContact CE2-CD1 3.81Å; Y36-L357 HydrophobicContact CE2-CD2 3.8Å; Y36-L357 HydrophobicContact CE2-CG 3.48Å; Y36-L357 VanDerWaalsContact CE2-CG 3.48Å; Y36-L357 HydrophobicContact CG-CD1 4.2Å; L40-L357 HydrophobicContact CB-CD2 4.17Å; L40-L357 HydrophobicContact CD1-CD2 3.84Å; L43-L357 HydrophobicContact CD2-CD2 4.25Å; L353-L357 PolarHBondContact O-N 3.01Å; Q354-L357 PolarHBondContact O-N 2.9Å; T355-L357 PolarHBondContact O-N 2.98Å; L357-A360 PolarHBondContact O-N 3.15Å; L357-A361 VanDerWaalsContact O-CB 3.23Å; L357-A361 WeakPolarHBondContact O-CB 3.49Å; L357-A361 PolarHBondContact O-N 3.24Å; L357-L649 HydrophobicContact CB-CD1 3.54Å; L357-L649 HydrophobicContact CB-CD2 4.09Å; L357-L649 HydrophobicContact CB-CG 4.47Å; L357-L649 HydrophobicContact CD1-CD2 3.87Å
358	V	93.8	Very high	93.2	Very high	17 Å²	17	27 Å²	27	10%	0.103	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-47.2	177.1	169.2	0	0	0	0	110.4	Q354 T355 A360 A361 K362 Q646 L649 L650	Q354-V358 HydrophobicContact CG-CG2 4.33Å; Q354-V358 VanDerWaalsContact O-CG2 3.29Å; Q354-V358 WeakPolarHBondContact O-CG2 3.46Å; Q354-V358 PolarHBondContact O-N 3.27Å; T355-V358 PolarHBondContact O-N 2.82Å; V358-A360 VanDerWaalsContact C-N 3.34Å; V358-A360 PolarHBondContact O-N 2.9Å; V358-A361 PolarHBondContact O-N 3.29Å; V358-K362 WeakPolarHBondContact O-CB 3.46Å; V358-K362 PolarHBondContact O-N 2.78Å; V358-Q646 HydrophobicContact CG1-CG 4.44Å; V358-L649 HydrophobicContact CG2-CB 3.6Å; V358-L649 HydrophobicContact CG2-CD1 4.27Å; V358-L650 HydrophobicContact CG1-CD2 3.93Å; V358-L650 HydrophobicContact CG1-CG 4.21Å; V358-L650 HydrophobicContact CG2-CD2 4.02Å; V358-L650 HydrophobicContact CG2-CG 4.13Å
359	D	92.3	Very high	93.2	Very high	58 Å²	58	27.5 Å²	27.5	31%	0.31	14%	0.138	S	C	.	.	H	α-helix	trans	-59.6	-44.9	178.3	-71.6	-20.5	0	0	0	111.3	T355 R356 K362 A363	T355-D359 VanDerWaalsContact O-CG 3.32Å; T355-D359 PolarHBondContact O-N 2.92Å; R356-D359 PolarHBondContact O-N 2.84Å; D359-K362 PolarHBondContact O-N 3.1Å; D359-A363 WeakPolarHBondContact O-CB 3.46Å; D359-A363 PolarHBondContact O-N 2.82Å
360	A	94.4	Very high	93.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.8	-45.5	178.8	0	0	0	0	0	112.7	L43 L106 I109 R356 L357 V358 K362 A363 L364	L43-A360 HydrophobicContact CD2-CB 3.55Å; L106-A360 HydrophobicContact CD2-CB 3.99Å; L106-A360 VanDerWaalsContact CD2-O 3.28Å; L106-A360 WeakPolarHBondContact CD2-O 3.41Å; I109-A360 HydrophobicContact CD1-CB 3.79Å; I109-A360 HydrophobicContact CG2-CB 3.92Å; R356-A360 WeakPolarHBondContact O-CB 3.5Å; R356-A360 PolarHBondContact O-N 3.16Å; R356-A360 VanDerWaalsContact O-N 3.08Å; L357-A360 PolarHBondContact O-N 3.15Å; V358-A360 VanDerWaalsContact C-N 3.34Å; V358-A360 PolarHBondContact O-N 2.9Å; A360-K362 VanDerWaalsContact C-N 3.28Å; A360-K362 PolarHBondContact O-N 2.98Å; A360-A363 PolarHBondContact O-N 3.04Å; A360-L364 WeakPolarHBondContact O-CB 3.17Å; A360-L364 PolarHBondContact O-N 3.43Å
361	A	96.3	Very high	93.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-37.9	175.9	0	0	0	0	0	111.5	L357 V358 N365 L645 Q646	L357-A361 VanDerWaalsContact O-CB 3.23Å; L357-A361 WeakPolarHBondContact O-CB 3.49Å; L357-A361 PolarHBondContact O-N 3.24Å; V358-A361 PolarHBondContact O-N 3.29Å; A361-N365 WeakPolarHBondContact O-CB 3.34Å; A361-N365 PolarHBondContact O-N 2.95Å; A361-L645 HydrophobicContact CB-CB 4.5Å; A361-L645 HydrophobicContact CB-CD2 4.23Å; A361-L645 HydrophobicContact CB-CG 4.26Å; A361-Q646 HydrophobicContact CB-CB 4.12Å
362	K	95.4	Very high	93.1	Very high	109 Å²	109	29.8 Å²	29.8	47%	0.474	15%	0.148	S	C	.	.	H	α-helix	trans	-64.4	-48.6	174.4	-175.7	178.4	179.9	179.4	0	111.5	V358 D359 A360 L364 N365 L366	V358-K362 WeakPolarHBondContact O-CB 3.46Å; V358-K362 PolarHBondContact O-N 2.78Å; D359-K362 PolarHBondContact O-N 3.1Å; A360-K362 VanDerWaalsContact C-N 3.28Å; A360-K362 PolarHBondContact O-N 2.98Å; K362-L364 PolarHBondContact O-N 3.47Å; K362-N365 PolarHBondContact O-N 3.47Å; K362-L366 HydrophobicContact CG-CD1 4.29Å; K362-L366 WeakPolarHBondContact O-CG 3.44Å; K362-L366 PolarHBondContact O-N 3.46Å
363	A	96.2	Very high	92.9	Very high	20 Å²	20	32.7 Å²	32.7	17%	0.165	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-45.9	177.9	0	0	0	0	0	111.5	Y105 L106 D359 A360 L366 V367	Y105-A363 HydrophobicContact CD1-CB 4.47Å; Y105-A363 HydrophobicContact CE1-CB 4.07Å; L106-A363 HydrophobicContact CD2-CB 4.25Å; D359-A363 WeakPolarHBondContact O-CB 3.46Å; D359-A363 PolarHBondContact O-N 2.82Å; A360-A363 PolarHBondContact O-N 3.04Å; A363-L366 PolarHBondContact O-N 3.25Å; A363-V367 PolarHBondContact O-N 3.47Å
364	L	97.1	Very high	92.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-42.1	176.1	-177.2	60.6	0	0	0	112.1	L43 N46 L47 T50 F98 L106 A360 K362 L366 V367 H368	L43-L364 HydrophobicContact CD1-CD2 3.96Å; N46-L364 HydrophobicContact CB-CD2 4.1Å; L47-L364 HydrophobicContact CD1-CD1 4.22Å; T50-L364 HydrophobicContact CG2-CD1 4.29Å; F98-L364 HydrophobicContact CZ-CD1 4.1Å; L106-L364 HydrophobicContact CD1-CB 3.93Å; L106-L364 HydrophobicContact CD1-CD1 3.94Å; L106-L364 HydrophobicContact CD2-CB 4.28Å; A360-L364 WeakPolarHBondContact O-CB 3.17Å; A360-L364 PolarHBondContact O-N 3.43Å; K362-L364 PolarHBondContact O-N 3.47Å; L364-L366 PolarHBondContact O-N 3.45Å; L364-V367 PolarHBondContact O-N 2.88Å; L364-H368 WeakPolarHBondContact CD1-NE2 3.25Å; L364-H368 PolarHBondContact O-N 2.87Å; L364-H368 VanDerWaalsContact O-N 3.1Å
365	N	95.9	Very high	92.3	Very high	8 Å²	8	33 Å²	33	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-41.3	176.5	-170.9	-115	0	0	0	112.5	A361 K362 V367 H368 C369 S639 S642 R704	A361-N365 WeakPolarHBondContact O-CB 3.34Å; A361-N365 PolarHBondContact O-N 2.95Å; K362-N365 PolarHBondContact O-N 3.47Å; N365-V367 VanDerWaalsContact C-N 3.32Å; N365-V367 PolarHBondContact O-N 3.11Å; N365-H368 PolarHBondContact O-N 3.29Å; N365-C369 PolarHBondContact O-N 3.09Å; N365-C369 PolarHBondContact O-SG 2.8Å; N365-S639 PolarHBondContact ND2-O 3.45Å; N365-S639 PolarHBondContact ND2-OG 3.08Å; N365-S642 VanDerWaalsContact CA-OG 3.28Å; N365-S642 WeakPolarHBondContact CA-OG 3.41Å; N365-S642 WeakPolarHBondContact CB-OG 3.44Å; N365-S642 PolarHBondContact ND2-OG 3.45Å; N365-R704 PolarHBondContact OD1-NH1 3.29Å
366	L	94.7	Very high	92	Very high	105 Å²	105	32.2 Å²	32.2	55%	0.55	16%	0.161	S	C	.	.	H	α-helix	trans	-59.9	-42	177	-73.3	171.2	0	0	0	111.9	K362 A363 L364 C369 H370	K362-L366 HydrophobicContact CG-CD1 4.29Å; K362-L366 WeakPolarHBondContact O-CG 3.44Å; K362-L366 PolarHBondContact O-N 3.46Å; A363-L366 PolarHBondContact O-N 3.25Å; L364-L366 PolarHBondContact O-N 3.45Å; L366-C369 PolarHBondContact O-N 3.32Å; L366-H370 WeakPolarHBondContact O-CB 3.42Å; L366-H370 PolarHBondContact O-N 3.49Å
367	V	94.1	Very high	91.6	Very high	10 Å²	10	33 Å²	33	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-48.1	173.9	173.4	0	0	0	0	110.6	F98 E102 A363 L364 N365 C369 H370 C371	F98-V367 HydrophobicContact CD2-CG1 4.19Å; F98-V367 HydrophobicContact CE2-CG1 4.09Å; F98-V367 HydrophobicContact CE2-CG2 4.27Å; E102-V367 HydrophobicContact CB-CG2 4.02Å; E102-V367 HydrophobicContact CG-CG2 4.07Å; A363-V367 PolarHBondContact O-N 3.47Å; L364-V367 PolarHBondContact O-N 2.88Å; N365-V367 VanDerWaalsContact C-N 3.32Å; N365-V367 PolarHBondContact O-N 3.11Å; V367-C369 PolarHBondContact O-N 3.4Å; V367-H370 PolarHBondContact O-N 2.93Å; V367-C371 WeakPolarHBondContact O-CB 3.38Å; V367-C371 PolarHBondContact O-N 3.15Å; V367-C371 PolarHBondContact O-SG 3.47Å; V367-C371 VanDerWaalsContact O-SG 3.37Å
368	H	95	Very high	91.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-45.4	179.3	-62	164.5	0	0	0	112.7	N46 T50 L364 N365 L372 L635 L638 S639 S642	N46-H368 PolarHBondContact OD1-CE1 2.94Å; T50-H368 WeakPolarHBondContact CG2-NE2 3.42Å; T50-H368 PolarHBondContact OG1-CE1 2.88Å; T50-H368 VanDerWaalsContact OG1-CE1 3.31Å; T50-H368 PolarHBondContact OG1-NE2 3.11Å; L364-H368 WeakPolarHBondContact CD1-NE2 3.25Å; L364-H368 PolarHBondContact O-N 2.87Å; L364-H368 VanDerWaalsContact O-N 3.1Å; N365-H368 PolarHBondContact O-N 3.29Å; H368-L372 VanDerWaalsContact O-CB 3.23Å; H368-L372 WeakPolarHBondContact O-CB 3.48Å; H368-L372 PolarHBondContact O-N 2.92Å; H368-L635 HydrophobicContact CB-CD1 4.31Å; H368-L638 PolarHBondContact CE1-O 3.49Å; H368-L638 PolarHBondContact ND1-O 3.24Å; H368-L638 VanDerWaalsContact ND1-O 3.1Å; H368-S639 WeakPolarHBondContact ND1-CA 3.34Å; H368-S639 PolarHBondContact ND1-N 3.33Å; H368-S642 PolarHBondContact ND1-OG 3.48Å
369	C	92.1	Very high	90.7	Very high	17 Å²	17	33.6 Å²	33.6	12%	0.115	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-49.5	178.8	-64.1	0	0	0	0	111.8	N365 L366 V367 C371 L372 D373 R704	N365-C369 PolarHBondContact O-N 3.09Å; N365-C369 PolarHBondContact O-SG 2.8Å; L366-C369 PolarHBondContact O-N 3.32Å; V367-C369 PolarHBondContact O-N 3.4Å; C369-C371 VanDerWaalsContact C-N 3.33Å; C369-C371 PolarHBondContact O-N 3.04Å; C369-L372 PolarHBondContact O-N 3.25Å; C369-L372 VanDerWaalsContact O-N 3.16Å; C369-D373 PolarHBondContact O-N 3.47Å; C369-R704 PolarHBondContact SG-NH2 2.85Å
370	H	91.1	Very high	90.2	Very high	118 Å²	118	34.3 Å²	34.3	55%	0.546	17%	0.173	S	C	.	.	H	α-helix	trans	-58.3	-46.5	-179.5	-177.8	61.2	0	0	0	111.7	L366 V367 D373 I374	L366-H370 WeakPolarHBondContact O-CB 3.42Å; L366-H370 PolarHBondContact O-N 3.49Å; V367-H370 PolarHBondContact O-N 2.93Å; H370-D373 PolarHBondContact O-N 2.92Å; H370-I374 WeakPolarHBondContact O-CG1 3.41Å; H370-I374 PolarHBondContact O-N 2.91Å; H370-I374 VanDerWaalsContact O-N 3.12Å
371	C	90.4	Very high	89.6	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.027	20%	0.2	C	C	.	.	H	α-helix	trans	-66.7	-37.4	177.4	-67.6	0	0	0	0	112.7	F54 I96 V367 C369 I374 F375 L635	F54-C371 HydrophobicContact CZ-CB 4.17Å; I96-C371 HydrophobicContact CG2-CB 4.25Å; V367-C371 WeakPolarHBondContact O-CB 3.38Å; V367-C371 PolarHBondContact O-N 3.15Å; V367-C371 PolarHBondContact O-SG 3.47Å; V367-C371 VanDerWaalsContact O-SG 3.37Å; C369-C371 VanDerWaalsContact C-N 3.33Å; C369-C371 PolarHBondContact O-N 3.04Å; C371-I374 PolarHBondContact O-N 2.96Å; C371-F375 WeakPolarHBondContact O-CD2 3.42Å; C371-F375 PolarHBondContact O-N 2.7Å; C371-L635 HydrophobicContact CB-CD2 3.65Å
372	L	89.8	Confident	89.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-39.5	177.6	-172.8	56.3	0	0	0	111.6	H368 C369 I374 F375 I376 A632 L635 A636 L698 H701	H368-L372 VanDerWaalsContact O-CB 3.23Å; H368-L372 WeakPolarHBondContact O-CB 3.48Å; H368-L372 PolarHBondContact O-N 2.92Å; C369-L372 PolarHBondContact O-N 3.25Å; C369-L372 VanDerWaalsContact O-N 3.16Å; L372-I374 VanDerWaalsContact C-N 3.33Å; L372-I374 PolarHBondContact O-N 3.29Å; L372-F375 WeakPolarHBondContact O-CB 3.31Å; L372-F375 PolarHBondContact O-N 3.06Å; L372-I376 HydrophobicContact CD1-CD1 4.31Å; L372-I376 HydrophobicContact CG-CD1 3.9Å; L372-I376 WeakPolarHBondContact O-CD1 3.47Å; L372-I376 VanDerWaalsContact O-CG1 3.27Å; L372-I376 WeakPolarHBondContact O-CG1 3.49Å; L372-I376 PolarHBondContact O-N 2.78Å; L372-A632 HydrophobicContact CD1-CB 3.75Å; L372-A632 WeakPolarHBondContact CD1-O 3.45Å; L372-L635 HydrophobicContact CB-CD2 3.99Å; L372-L635 HydrophobicContact CB-CG 4.42Å; L372-L635 HydrophobicContact CD1-CB 4.49Å; L372-A636 HydrophobicContact CD2-CB 3.7Å; L372-L698 HydrophobicContact CD1-CD1 4.28Å; L372-H701 HydrophobicContact CD2-CB 3.87Å; L372-H701 VanDerWaalsContact CD2-CD2 3.45Å; L372-H701 WeakPolarHBondContact CD2-CD2 3.38Å
373	D	86.7	Confident	88.4	Confident	67 Å²	67	35.8 Å²	35.8	36%	0.358	19%	0.185	S	C	.	.	H	α-helix	trans	-64.6	-38.1	175.4	-65	-19.5	0	0	0	111.3	C369 H370 I376 N377 H701	C369-D373 PolarHBondContact O-N 3.47Å; H370-D373 PolarHBondContact O-N 2.92Å; D373-I376 PolarHBondContact O-N 3.42Å; D373-N377 WeakPolarHBondContact O-CB 3.25Å; D373-N377 VanDerWaalsContact O-CG 3.23Å; D373-N377 PolarHBondContact O-N 3.39Å; D373-N377 PolarHBondContact O-ND2 3.36Å; D373-H701 IonicContact OD1-CE1 2.82Å; D373-H701 IonicContact OD1-NE2 3.91Å; D373-H701 PolarHBondContact OD1-NE2 2.81Å
374	I	85.9	Confident	87.8	Confident	50 Å²	50	42.2 Å²	42.2	26%	0.256	21%	0.205	S	C	.	.	H	α-helix	trans	-60.3	-48.9	171.7	-65.9	166.4	0	0	0	110.5	I96 H370 C371 L372 I376 N377 Q378	I96-I374 HydrophobicContact CD1-CB 4.43Å; I96-I374 HydrophobicContact CD1-CG2 3.65Å; I96-I374 HydrophobicContact CG1-CG2 3.94Å; H370-I374 WeakPolarHBondContact O-CG1 3.41Å; H370-I374 PolarHBondContact O-N 2.91Å; H370-I374 VanDerWaalsContact O-N 3.12Å; C371-I374 PolarHBondContact O-N 2.96Å; L372-I374 VanDerWaalsContact C-N 3.33Å; L372-I374 PolarHBondContact O-N 3.29Å; I374-I376 VanDerWaalsContact C-N 3.34Å; I374-I376 PolarHBondContact O-N 2.79Å; I374-N377 PolarHBondContact O-N 3.27Å; I374-Q378 HydrophobicContact CG2-CG 4.25Å; I374-Q378 WeakPolarHBondContact O-CB 3.34Å; I374-Q378 VanDerWaalsContact O-CG 3.27Å; I374-Q378 WeakPolarHBondContact O-CG 3.38Å; I374-Q378 PolarHBondContact O-N 3.43Å
375	F	85.3	Confident	87	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-44.3	178.2	-82.1	-60.9	0	0	0	112.5	F53 I57 L93 I96 C371 L372 A379 V627 H631 L635	F53-F375 HydrophobicContact CE1-CE2 4.16Å; F53-F375 AromaticContact CZ-CE2 3.99Å; F53-F375 HydrophobicContact CZ-CE2 3.99Å; F53-F375 HydrophobicContact CZ-CZ 4.31Å; I57-F375 HydrophobicContact CD1-CE2 4.39Å; I57-F375 HydrophobicContact CD1-CZ 3.75Å; L93-F375 HydrophobicContact CD1-CE1 4.37Å; L93-F375 HydrophobicContact CD2-CD1 4.04Å; L93-F375 HydrophobicContact CD2-CE1 3.76Å; I96-F375 HydrophobicContact CD1-CD1 3.76Å; I96-F375 HydrophobicContact CD1-CD2 4.29Å; I96-F375 HydrophobicContact CD1-CE1 3.53Å; I96-F375 HydrophobicContact CD1-CE2 4.07Å; I96-F375 HydrophobicContact CD1-CG 4.14Å; I96-F375 HydrophobicContact CD1-CZ 3.69Å; I96-F375 HydrophobicContact CG2-CE2 4.27Å; I96-F375 HydrophobicContact CG2-CZ 4.35Å; C371-F375 WeakPolarHBondContact O-CD2 3.42Å; C371-F375 PolarHBondContact O-N 2.7Å; L372-F375 WeakPolarHBondContact O-CB 3.31Å; L372-F375 PolarHBondContact O-N 3.06Å; F375-A379 WeakPolarHBondContact O-CB 3.43Å; F375-A379 PolarHBondContact O-N 2.98Å; F375-V627 HydrophobicContact CB-CG1 3.99Å; F375-V627 HydrophobicContact CD1-CG1 3.78Å; F375-V627 HydrophobicContact CD1-CG2 4.2Å; F375-V627 HydrophobicContact CG-CG1 4.28Å; F375-H631 HydrophobicContact CE1-CB 4.17Å; F375-H631 HydrophobicContact CZ-CB 4.22Å; F375-L635 HydrophobicContact CD2-CD2 3.8Å; F375-L635 HydrophobicContact CE2-CD2 3.85Å
376	I	82.7	Confident	86.3	Confident	12 Å²	12	45.4 Å²	45.4	6%	0.062	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-50	179.5	-70.5	159.6	0	0	0	110	L372 D373 I374 Q378 A379 F380 Y702	L372-I376 HydrophobicContact CD1-CD1 4.31Å; L372-I376 HydrophobicContact CG-CD1 3.9Å; L372-I376 WeakPolarHBondContact O-CD1 3.47Å; L372-I376 VanDerWaalsContact O-CG1 3.27Å; L372-I376 WeakPolarHBondContact O-CG1 3.49Å; L372-I376 PolarHBondContact O-N 2.78Å; D373-I376 PolarHBondContact O-N 3.42Å; I374-I376 VanDerWaalsContact C-N 3.34Å; I374-I376 PolarHBondContact O-N 2.79Å; I376-Q378 PolarHBondContact O-N 2.89Å; I376-A379 PolarHBondContact O-N 3.37Å; I376-A379 VanDerWaalsContact O-N 3.15Å; I376-F380 HydrophobicContact CG2-CD2 3.75Å; I376-F380 HydrophobicContact CG2-CE2 3.46Å; I376-F380 VanDerWaalsContact CG2-CE2 3.46Å; I376-F380 WeakPolarHBondContact O-CD2 3.5Å; I376-F380 PolarHBondContact O-N 3.04Å; I376-Y702 HydrophobicContact CD1-CE1 3.58Å; I376-Y702 HydrophobicContact CG1-CE1 4.23Å
377	N	83.4	Confident	85.7	Confident	95 Å²	95	44.7 Å²	44.7	51%	0.508	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-43.1	-180	-72.8	-34.3	0	0	0	112.3	D373 I374 A379 F380 D381	D373-N377 WeakPolarHBondContact O-CB 3.25Å; D373-N377 VanDerWaalsContact O-CG 3.23Å; D373-N377 PolarHBondContact O-N 3.39Å; D373-N377 PolarHBondContact O-ND2 3.36Å; I374-N377 PolarHBondContact O-N 3.27Å; N377-A379 VanDerWaalsContact C-N 3.29Å; N377-A379 PolarHBondContact O-N 3.42Å; N377-F380 WeakPolarHBondContact O-CB 3.35Å; N377-F380 PolarHBondContact O-N 3.26Å; N377-F380 VanDerWaalsContact O-N 3.16Å; N377-D381 PolarHBondContact O-N 3.19Å
378	Q	82.4	Confident	85.1	Confident	32 Å²	32	46.5 Å²	46.5	15%	0.15	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-39.7	174.6	-74.7	178.4	-23.2	0	0	111.9	Q92 I374 I376 F380 D381 M382	Q92-Q378 PolarHBondContact O-NE2 3.46Å; I374-Q378 HydrophobicContact CG2-CG 4.25Å; I374-Q378 WeakPolarHBondContact O-CB 3.34Å; I374-Q378 VanDerWaalsContact O-CG 3.27Å; I374-Q378 WeakPolarHBondContact O-CG 3.38Å; I374-Q378 PolarHBondContact O-N 3.43Å; I376-Q378 PolarHBondContact O-N 2.89Å; Q378-F380 VanDerWaalsContact C-N 3.31Å; Q378-F380 PolarHBondContact O-N 3.11Å; Q378-D381 PolarHBondContact O-N 2.97Å; Q378-M382 WeakPolarHBondContact O-CB 3.49Å; Q378-M382 WeakPolarHBondContact O-CG 3.35Å; Q378-M382 PolarHBondContact O-N 3.47Å
379	A	83	Confident	84.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.7	-31.1	177.5	0	0	0	0	0	112.8	F375 I376 N377 Q383 V627 M806	F375-A379 WeakPolarHBondContact O-CB 3.43Å; F375-A379 PolarHBondContact O-N 2.98Å; I376-A379 PolarHBondContact O-N 3.37Å; I376-A379 VanDerWaalsContact O-N 3.15Å; N377-A379 VanDerWaalsContact C-N 3.29Å; N377-A379 PolarHBondContact O-N 3.42Å; A379-Q383 WeakPolarHBondContact O-CB 3.31Å; A379-Q383 PolarHBondContact O-N 3.01Å; A379-V627 HydrophobicContact CB-CG1 4.15Å; A379-M806 HydrophobicContact CB-CE 3.18Å; A379-M806 HydrophobicContact CB-SD 4.31Å
380	F	82.5	Confident	84.2	Confident	73 Å²	73	48.6 Å²	48.6	32%	0.32	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-48.4	167.9	-83.2	-75.8	0	0	0	111.7	I376 N377 Q378 M382 Q383 R384 P803 A805	I376-F380 HydrophobicContact CG2-CD2 3.75Å; I376-F380 HydrophobicContact CG2-CE2 3.46Å; I376-F380 VanDerWaalsContact CG2-CE2 3.46Å; I376-F380 WeakPolarHBondContact O-CD2 3.5Å; I376-F380 PolarHBondContact O-N 3.04Å; N377-F380 WeakPolarHBondContact O-CB 3.35Å; N377-F380 PolarHBondContact O-N 3.26Å; N377-F380 VanDerWaalsContact O-N 3.16Å; Q378-F380 VanDerWaalsContact C-N 3.31Å; Q378-F380 PolarHBondContact O-N 3.11Å; F380-M382 VanDerWaalsContact C-N 3.35Å; F380-M382 PolarHBondContact O-N 3.28Å; F380-Q383 PolarHBondContact O-N 3.12Å; F380-R384 VanDerWaalsContact O-CB 3.26Å; F380-R384 WeakPolarHBondContact O-CB 3.28Å; F380-R384 PolarHBondContact O-N 3.03Å; F380-P803 HydrophobicContact CE1-CB 4.3Å; F380-P803 HydrophobicContact CE2-CB 4.18Å; F380-P803 HydrophobicContact CZ-CB 3.59Å; F380-P803 HydrophobicContact CZ-CG 4.5Å; F380-A805 HydrophobicContact CB-CB 4.28Å; F380-A805 HydrophobicContact CD1-CB 3.15Å; F380-A805 HydrophobicContact CD2-CB 4.44Å; F380-A805 HydrophobicContact CE1-CB 3.5Å; F380-A805 VanDerWaalsContact CE1-CB 3.5Å; F380-A805 HydrophobicContact CG-CB 3.69Å; F380-A805 HydrophobicContact CZ-CB 4.31Å
381	D	82.6	Confident	83.8	Confident	104 Å²	104	49.8 Å²	49.8	56%	0.556	24%	0.242	S	C	*	.	H	α-helix	trans	-61.8	-43.4	178.7	-72.1	-29.5	0	0	0	111.7	N377 Q378 R384 D385	N377-D381 PolarHBondContact O-N 3.19Å; Q378-D381 PolarHBondContact O-N 2.97Å; D381-R384 PolarHBondContact O-N 3.47Å; D381-D385 WeakPolarHBondContact O-CB 3.43Å; D381-D385 PolarHBondContact O-N 3.41Å
382	M	84.4	Confident	83.4	Confident	8 Å²	8	54 Å²	54	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-48.7	174.8	-71.4	174.6	169.5	0	0	111.7	Q92 Q378 F380 R384 D385 L386 T620 L623 W624	Q92-M382 HydrophobicContact CB-CE 4.26Å; Q92-M382 VanDerWaalsContact OE1-CE 3.24Å; Q378-M382 WeakPolarHBondContact O-CB 3.49Å; Q378-M382 WeakPolarHBondContact O-CG 3.35Å; Q378-M382 PolarHBondContact O-N 3.47Å; F380-M382 VanDerWaalsContact C-N 3.35Å; F380-M382 PolarHBondContact O-N 3.28Å; M382-R384 VanDerWaalsContact C-N 3.33Å; M382-R384 PolarHBondContact O-N 3.37Å; M382-D385 PolarHBondContact O-N 3.46Å; M382-L386 VanDerWaalsContact O-CG 3.27Å; M382-L386 WeakPolarHBondContact O-CG 3.45Å; M382-L386 PolarHBondContact O-N 3.08Å; M382-T620 HydrophobicContact CB-CG2 3.77Å; M382-T620 HydrophobicContact CG-CG2 3.8Å; M382-L623 HydrophobicContact CE-CB 4.27Å; M382-L623 HydrophobicContact CE-CD2 3.37Å; M382-L623 HydrophobicContact CE-CG 3.7Å; M382-L623 HydrophobicContact SD-CG 4.4Å; M382-W624 HydrophobicContact CB-CB 4.12Å; M382-W624 HydrophobicContact CB-CG 4.45Å; M382-W624 HydrophobicContact SD-CB 4.01Å
383	Q	81.9	Confident	83.1	Confident	27 Å²	27	54.4 Å²	54.4	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-39.6	178.5	179.6	151	-22.7	0	0	112	A379 F380 D385 L386 Q387 A805	A379-Q383 WeakPolarHBondContact O-CB 3.31Å; A379-Q383 PolarHBondContact O-N 3.01Å; F380-Q383 PolarHBondContact O-N 3.12Å; Q383-D385 VanDerWaalsContact C-N 3.3Å; Q383-D385 PolarHBondContact O-N 2.85Å; Q383-L386 PolarHBondContact O-N 2.73Å; Q383-Q387 HydrophobicContact CG-CG 4.49Å; Q383-Q387 WeakPolarHBondContact O-CG 3.33Å; Q383-Q387 PolarHBondContact O-N 2.76Å; Q383-A805 HydrophobicContact CB-CB 4.07Å; Q383-A805 VanDerWaalsContact CD-CA 3.45Å; Q383-A805 HydrophobicContact CG-CB 4.43Å; Q383-A805 PolarHBondContact OE1-O 3Å
384	R	81.9	Confident	83.1	Confident	156 Å²	156	56.5 Å²	56.5	59%	0.589	27%	0.267	S	S	*	.	H	α-helix	trans	-59.5	-44.6	175	-178.4	179.2	-177.8	-175.6	2.7	110.7	F380 D381 M382 Q387 I388	F380-R384 VanDerWaalsContact O-CB 3.26Å; F380-R384 WeakPolarHBondContact O-CB 3.28Å; F380-R384 PolarHBondContact O-N 3.03Å; D381-R384 PolarHBondContact O-N 3.47Å; M382-R384 VanDerWaalsContact C-N 3.33Å; M382-R384 PolarHBondContact O-N 3.37Å; R384-Q387 PolarHBondContact O-N 3.26Å; R384-I388 HydrophobicContact CG-CD1 3.37Å; R384-I388 HydrophobicContact CG-CG1 4.05Å; R384-I388 VanDerWaalsContact O-CB 3.25Å; R384-I388 WeakPolarHBondContact O-CB 3.39Å; R384-I388 VanDerWaalsContact O-CG1 3.25Å; R384-I388 WeakPolarHBondContact O-CG1 3.35Å; R384-I388 PolarHBondContact O-N 3.31Å
385	D	80.7	Confident	82.9	Confident	39 Å²	39	58.7 Å²	58.7	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-44	177.5	-173.8	34.5	0	0	0	112.1	D381 M382 Q383 Q387 I388 T389 R616	D381-D385 WeakPolarHBondContact O-CB 3.43Å; D381-D385 PolarHBondContact O-N 3.41Å; M382-D385 PolarHBondContact O-N 3.46Å; Q383-D385 VanDerWaalsContact C-N 3.3Å; Q383-D385 PolarHBondContact O-N 2.85Å; D385-Q387 PolarHBondContact O-N 3.44Å; D385-I388 PolarHBondContact O-N 2.93Å; D385-T389 VanDerWaalsContact O-CB 3.28Å; D385-T389 WeakPolarHBondContact O-CB 3.28Å; D385-T389 PolarHBondContact O-N 3.42Å; D385-T389 PolarHBondContact O-OG1 2.8Å; D385-T389 PolarHBondContact OD1-OG1 2.8Å; D385-R616 IonicContact OD1-NH2 3.22Å; D385-R616 PolarHBondContact OD1-NH2 3.2Å; D385-R616 IonicContact OD2-CZ 3.65Å; D385-R616 VanDerWaalsContact OD2-CZ 3.27Å; D385-R616 IonicContact OD2-NH1 2.73Å; D385-R616 PolarHBondContact OD2-NH1 2.85Å; D385-R616 IonicContact OD2-NH2 3.29Å; D385-R616 PolarHBondContact OD2-NH2 2.62Å
386	L	82.4	Confident	82.7	Confident	36 Å²	36	58.7 Å²	58.7	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-56.2	-33.6	173.8	-71.6	169.3	0	0	0	113.1	M382 Q383 P390 L617 T620 E621	M382-L386 VanDerWaalsContact O-CG 3.27Å; M382-L386 WeakPolarHBondContact O-CG 3.45Å; M382-L386 PolarHBondContact O-N 3.08Å; Q383-L386 PolarHBondContact O-N 2.73Å; L386-P390 VanDerWaalsContact O-CD 3.28Å; L386-P390 WeakPolarHBondContact O-CD 3.27Å; L386-P390 WeakPolarHBondContact O-CG 3.46Å; L386-L617 HydrophobicContact CD2-CB 4.07Å; L386-L617 HydrophobicContact CD2-CD2 4.05Å; L386-L617 WeakPolarHBondContact CD2-O 3.24Å; L386-T620 HydrophobicContact CD2-CG2 4.48Å; L386-T620 HydrophobicContact CG-CG2 4.29Å; L386-E621 HydrophobicContact CD1-CB 4.15Å; L386-E621 HydrophobicContact CD1-CG 4.5Å; L386-E621 HydrophobicContact CD2-CB 3.97Å
387	Q	80.6	Confident	82.8	Confident	90 Å²	90	63.7 Å²	63.7	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-89.9	-40.6	179.6	-69.4	-173.8	-1.3	0	0	113.9	Q383 R384 D385 K391	Q383-Q387 HydrophobicContact CG-CG 4.49Å; Q383-Q387 WeakPolarHBondContact O-CG 3.33Å; Q383-Q387 PolarHBondContact O-N 2.76Å; R384-Q387 PolarHBondContact O-N 3.26Å; D385-Q387 PolarHBondContact O-N 3.44Å; Q387-K391 WeakPolarHBondContact O-CD 3.33Å; Q387-K391 WeakPolarHBondContact O-CG 3.42Å
388	I	81.8	Confident	82.9	Confident	48 Å²	48	65.1 Å²	65.1	25%	0.246	29%	0.292	C	S	.	.	H	α-helix	trans	-81.1	-41	-171.2	-68.5	-175.4	0	0	0	111.2	R384 D385 K391 R392	R384-I388 HydrophobicContact CG-CD1 3.37Å; R384-I388 HydrophobicContact CG-CG1 4.05Å; R384-I388 VanDerWaalsContact O-CB 3.25Å; R384-I388 WeakPolarHBondContact O-CB 3.39Å; R384-I388 VanDerWaalsContact O-CG1 3.25Å; R384-I388 WeakPolarHBondContact O-CG1 3.35Å; R384-I388 PolarHBondContact O-N 3.31Å; D385-I388 PolarHBondContact O-N 2.93Å; I388-K391 PolarHBondContact O-N 3.28Å; I388-R392 HydrophobicContact CG2-CG 3.86Å; I388-R392 VanDerWaalsContact CG2-NE 3.26Å; I388-R392 WeakPolarHBondContact O-CB 3.33Å; I388-R392 WeakPolarHBondContact O-CG 3.43Å; I388-R392 PolarHBondContact O-N 3.45Å
389	T	82.9	Confident	82.8	Confident	5 Å²	5	66 Å²	66	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-47.3	-173.7	-68.8	0	0	0	0	112.3	D385 K391 R392 L393 L504 H613 L617	D385-T389 VanDerWaalsContact O-CB 3.28Å; D385-T389 WeakPolarHBondContact O-CB 3.28Å; D385-T389 PolarHBondContact O-N 3.42Å; D385-T389 PolarHBondContact O-OG1 2.8Å; D385-T389 PolarHBondContact OD1-OG1 2.8Å; T389-K391 PolarHBondContact O-N 3.48Å; T389-R392 PolarHBondContact O-N 3.23Å; T389-L393 HydrophobicContact CG2-CD1 4Å; T389-L393 WeakPolarHBondContact O-CG 3.46Å; T389-L393 PolarHBondContact O-N 3.46Å; T389-L504 HydrophobicContact CG2-CD2 4.26Å; T389-H613 HydrophobicContact CG2-CB 4.33Å; T389-L617 HydrophobicContact CG2-CD1 4.09Å
390	P	85	Confident	82.8	Confident	57 Å²	57	66.1 Å²	66.1	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-42.5	173.4	-24.9	35.5	0	0	0	113.2	L386 R392 L393 E394 L617	L386-P390 VanDerWaalsContact O-CD 3.28Å; L386-P390 WeakPolarHBondContact O-CD 3.27Å; L386-P390 WeakPolarHBondContact O-CG 3.46Å; P390-R392 VanDerWaalsContact C-N 3.32Å; P390-R392 PolarHBondContact O-N 3.19Å; P390-L393 PolarHBondContact O-N 2.8Å; P390-E394 WeakPolarHBondContact O-CB 3.33Å; P390-E394 PolarHBondContact O-N 3.45Å; P390-L617 HydrophobicContact CG-CD1 4.12Å
391	K	84.1	Confident	82.9	Confident	142 Å²	142	65.8 Å²	65.8	62%	0.617	30%	0.298	S	S	*	.	H	α-helix	trans	-62.8	-38	177.5	-71.7	178.4	-178.6	178.3	0	112.2	Q387 I388 T389 Y395	Q387-K391 WeakPolarHBondContact O-CD 3.33Å; Q387-K391 WeakPolarHBondContact O-CG 3.42Å; I388-K391 PolarHBondContact O-N 3.28Å; T389-K391 PolarHBondContact O-N 3.48Å; K391-Y395 WeakPolarHBondContact O-CB 3.28Å; K391-Y395 PolarHBondContact O-N 3.47Å
392	R	82.2	Confident	82.9	Confident	92 Å²	92	63.8 Å²	63.8	35%	0.347	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-41.3	176.2	-77.7	-179.8	175.6	172.9	-5.9	112.1	I388 T389 P390 T396 S503 L504	I388-R392 HydrophobicContact CG2-CG 3.86Å; I388-R392 VanDerWaalsContact CG2-NE 3.26Å; I388-R392 WeakPolarHBondContact O-CB 3.33Å; I388-R392 WeakPolarHBondContact O-CG 3.43Å; I388-R392 PolarHBondContact O-N 3.45Å; T389-R392 PolarHBondContact O-N 3.23Å; P390-R392 VanDerWaalsContact C-N 3.32Å; P390-R392 PolarHBondContact O-N 3.19Å; R392-T396 VanDerWaalsContact O-CB 3.27Å; R392-T396 WeakPolarHBondContact O-CB 3.46Å; R392-T396 PolarHBondContact O-N 3.46Å; R392-T396 PolarHBondContact O-OG1 3.35Å; R392-S503 PolarHBondContact NH1-OG 3.09Å; R392-L504 HydrophobicContact CB-CD1 4.44Å; R392-L504 HydrophobicContact CB-CD2 3.96Å; R392-L504 HydrophobicContact CB-CG 4.43Å
393	L	83.3	Confident	82.6	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-48.1	174	-69.6	162.1	0	0	0	110.6	T389 P390 Y395 T396 R397 L504 L606 L609 E610 H613	T389-L393 HydrophobicContact CG2-CD1 4Å; T389-L393 WeakPolarHBondContact O-CG 3.46Å; T389-L393 PolarHBondContact O-N 3.46Å; P390-L393 PolarHBondContact O-N 2.8Å; L393-Y395 PolarHBondContact O-N 2.97Å; L393-T396 WeakPolarHBondContact O-CB 3.5Å; L393-T396 PolarHBondContact O-N 3.49Å; L393-R397 PolarHBondContact O-N 2.97Å; L393-L504 HydrophobicContact CD2-CD1 3.92Å; L393-L504 HydrophobicContact CD2-CD2 4.25Å; L393-L504 HydrophobicContact CG-CD1 4.43Å; L393-L504 HydrophobicContact CG-CD2 4.21Å; L393-L606 HydrophobicContact CD2-CD1 3.93Å; L393-L609 HydrophobicContact CD2-CD2 4.32Å; L393-L609 HydrophobicContact CD2-CG 4.47Å; L393-E610 HydrophobicContact CB-CG 4.35Å; L393-E610 HydrophobicContact CD1-CG 4.06Å; L393-E610 HydrophobicContact CD2-CG 3.96Å; L393-E610 HydrophobicContact CG-CG 4.34Å; L393-H613 HydrophobicContact CD1-CB 4.33Å
394	E	85.5	Confident	82.4	Confident	110 Å²	110	63.9 Å²	63.9	51%	0.514	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-41.8	177.7	179.6	155.7	-136.4	0	0	113	P390 T396 R397 K398	P390-E394 WeakPolarHBondContact O-CB 3.33Å; P390-E394 PolarHBondContact O-N 3.45Å; E394-T396 VanDerWaalsContact C-N 3.34Å; E394-R397 PolarHBondContact O-N 2.71Å; E394-R397 IonicContact OE1-NH2 3.04Å; E394-R397 PolarHBondContact OE1-NH2 2.73Å; E394-K398 WeakPolarHBondContact O-CB 3.13Å; E394-K398 PolarHBondContact O-N 2.76Å
395	Y	83.1	Confident	82.4	Confident	96 Å²	96	61.4 Å²	61.4	38%	0.376	28%	0.279	S	S	.	.	H	α-helix	trans	-62.4	-42.1	174.8	178.8	-97.8	0	0	0	111.9	K391 L393 K398 K399 T496	K391-Y395 WeakPolarHBondContact O-CB 3.28Å; K391-Y395 PolarHBondContact O-N 3.47Å; L393-Y395 PolarHBondContact O-N 2.97Å; Y395-K398 PolarHBondContact O-N 3.34Å; Y395-K399 HydrophobicContact CD1-CG 4.15Å; Y395-K399 HydrophobicContact CD2-CG 4.38Å; Y395-K399 HydrophobicContact CE1-CG 3.69Å; Y395-K399 HydrophobicContact CE2-CD 4.4Å; Y395-K399 HydrophobicContact CE2-CG 3.93Å; Y395-K399 HydrophobicContact CG-CG 4.49Å; Y395-K399 WeakPolarHBondContact O-CB 3.33Å; Y395-K399 WeakPolarHBondContact O-CG 3.28Å; Y395-K399 PolarHBondContact O-N 3.07Å; Y395-K399 VanDerWaalsContact OH-CE 3.27Å; Y395-K399 WeakPolarHBondContact OH-CE 3.49Å; Y395-T496 HydrophobicContact CE1-CG2 4.12Å
396	T	80.2	Confident	82.2	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-47	178	-60.2	0	0	0	0	110.1	R392 L393 E394 K398 K399 E400 L497 L501 F602 L606	R392-T396 VanDerWaalsContact O-CB 3.27Å; R392-T396 WeakPolarHBondContact O-CB 3.46Å; R392-T396 PolarHBondContact O-N 3.46Å; R392-T396 PolarHBondContact O-OG1 3.35Å; L393-T396 WeakPolarHBondContact O-CB 3.5Å; L393-T396 PolarHBondContact O-N 3.49Å; E394-T396 VanDerWaalsContact C-N 3.34Å; T396-K398 PolarHBondContact O-N 3.39Å; T396-K399 PolarHBondContact O-N 2.81Å; T396-E400 WeakPolarHBondContact O-CB 3.35Å; T396-E400 PolarHBondContact O-N 3Å; T396-L497 HydrophobicContact CG2-CD2 4.04Å; T396-L501 HydrophobicContact CG2-CD2 3.79Å; T396-L501 HydrophobicContact CG2-CG 4.23Å; T396-F602 HydrophobicContact CG2-CZ 4.03Å; T396-L606 HydrophobicContact CG2-CD1 4.34Å
397	R	84.4	Confident	81.8	Confident	116 Å²	116	59.9 Å²	59.9	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-57.4	-47	173	-176	-179.5	64	140	-2.5	112.3	L393 E394 E400 N401 L606	L393-R397 PolarHBondContact O-N 2.97Å; E394-R397 PolarHBondContact O-N 2.71Å; E394-R397 IonicContact OE1-NH2 3.04Å; E394-R397 PolarHBondContact OE1-NH2 2.73Å; R397-E400 PolarHBondContact O-N 3.34Å; R397-N401 WeakPolarHBondContact O-CB 3.3Å; R397-N401 PolarHBondContact O-N 2.83Å; R397-L606 HydrophobicContact CB-CD2 3.8Å; R397-L606 HydrophobicContact CG-CD2 4.4Å
398	K	85.8	Confident	81.6	Confident	125 Å²	125	56.9 Å²	56.9	54%	0.543	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-45.6	179.2	-176.3	178.8	177.1	-180	0	111.6	E394 Y395 T396 N401 E402	E394-K398 WeakPolarHBondContact O-CB 3.13Å; E394-K398 PolarHBondContact O-N 2.76Å; Y395-K398 PolarHBondContact O-N 3.34Å; T396-K398 PolarHBondContact O-N 3.39Å; K398-N401 PolarHBondContact O-N 2.89Å; K398-E402 WeakPolarHBondContact CE-OE1 3.46Å; K398-E402 WeakPolarHBondContact O-CG 3.43Å; K398-E402 PolarHBondContact O-N 3.18Å
399	K	80.8	Confident	81.1	Confident	50 Å²	50	58 Å²	58	22%	0.217	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-36.3	-179.2	-76	-71.6	163	-157.1	0	113	Y395 T396 E402 L403 L497	Y395-K399 HydrophobicContact CD1-CG 4.15Å; Y395-K399 HydrophobicContact CD2-CG 4.38Å; Y395-K399 HydrophobicContact CE1-CG 3.69Å; Y395-K399 HydrophobicContact CE2-CD 4.4Å; Y395-K399 HydrophobicContact CE2-CG 3.93Å; Y395-K399 HydrophobicContact CG-CG 4.49Å; Y395-K399 WeakPolarHBondContact O-CB 3.33Å; Y395-K399 WeakPolarHBondContact O-CG 3.28Å; Y395-K399 PolarHBondContact O-N 3.07Å; Y395-K399 VanDerWaalsContact OH-CE 3.27Å; Y395-K399 WeakPolarHBondContact OH-CE 3.49Å; T396-K399 PolarHBondContact O-N 2.81Å; K399-E402 WeakPolarHBondContact CD-OE2 3.33Å; K399-E402 WeakPolarHBondContact CE-OE2 3.34Å; K399-E402 IonicContact NZ-OE1 3.87Å; K399-E402 IonicContact NZ-OE2 3.71Å; K399-E402 PolarHBondContact NZ-OE2 3.32Å; K399-L403 PolarHBondContact O-N 2.89Å; K399-L403 VanDerWaalsContact O-N 3.09Å; K399-L497 HydrophobicContact CB-CD1 4.38Å; K399-L497 HydrophobicContact CB-CD2 4.18Å; K399-L497 HydrophobicContact CB-CG 4.2Å
400	E	82.4	Confident	80.4	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-42.3	173.8	-173.3	-87.5	167.4	0	0	111.8	T396 R397 E402 L403 Y404 L497 I522 H599 F602	T396-E400 WeakPolarHBondContact O-CB 3.35Å; T396-E400 PolarHBondContact O-N 3Å; R397-E400 PolarHBondContact O-N 3.34Å; E400-E402 VanDerWaalsContact C-N 3.34Å; E400-E402 PolarHBondContact O-N 3Å; E400-L403 WeakPolarHBondContact O-CB 3.36Å; E400-L403 PolarHBondContact O-N 3.42Å; E400-L403 VanDerWaalsContact O-N 3.12Å; E400-Y404 PolarHBondContact O-N 2.92Å; E400-L497 HydrophobicContact CB-CD2 4.16Å; E400-I522 HydrophobicContact CG-CD1 4.12Å; E400-I522 WeakPolarHBondContact OE1-CD1 3.42Å; E400-H599 VanDerWaalsContact CD-ND1 3.34Å; E400-H599 IonicContact OE1-CE1 3.69Å; E400-H599 IonicContact OE1-CG 2.66Å; E400-H599 IonicContact OE1-ND1 3.28Å; E400-H599 PolarHBondContact OE1-ND1 3.24Å; E400-H599 IonicContact OE2-CE1 3.95Å; E400-H599 PolarHBondContact OE2-CE1 3.48Å; E400-H599 VanDerWaalsContact OE2-CE1 3.29Å; E400-H599 IonicContact OE2-ND1 3.09Å; E400-H599 PolarHBondContact OE2-ND1 3.33Å; E400-F602 HydrophobicContact CB-CD1 4.08Å; E400-F602 HydrophobicContact CB-CE1 3.5Å; E400-F602 HydrophobicContact CB-CZ 3.97Å; E400-F602 VanDerWaalsContact CD-CD1 3.45Å; E400-F602 HydrophobicContact CG-CD1 3.44Å; E400-F602 VanDerWaalsContact CG-CD1 3.44Å; E400-F602 HydrophobicContact CG-CE1 3.38Å; E400-F602 HydrophobicContact CG-CE2 4.47Å; E400-F602 HydrophobicContact CG-CG 4.05Å; E400-F602 HydrophobicContact CG-CZ 3.93Å
401	N	84.8	Confident	79.5	Confident	65 Å²	65	57.7 Å²	57.7	35%	0.348	26%	0.262	S	S	.	.	H	α-helix	trans	-58.3	-44	172.2	-79.6	-9.3	0	0	0	112.2	R397 K398 L403 Y404 E405 H599	R397-N401 WeakPolarHBondContact O-CB 3.3Å; R397-N401 PolarHBondContact O-N 2.83Å; K398-N401 PolarHBondContact O-N 2.89Å; N401-L403 VanDerWaalsContact C-N 3.29Å; N401-L403 PolarHBondContact O-N 3.28Å; N401-Y404 PolarHBondContact O-N 3.24Å; N401-E405 WeakPolarHBondContact O-CB 3.3Å; N401-E405 WeakPolarHBondContact O-CG 3.5Å; N401-E405 PolarHBondContact O-N 3.4Å; N401-H599 PolarHBondContact OD1-CE1 3Å; N401-H599 VanDerWaalsContact OD1-CE1 3.24Å
402	E	82.6	Confident	78.8	Confident	62 Å²	62	54.9 Å²	54.9	29%	0.29	25%	0.254	S	S	.	.	H	α-helix	trans	-59.4	-40.2	175.7	-77.1	171.9	-167.4	0	0	111.8	K398 K399 E400 S406 F493	K398-E402 WeakPolarHBondContact CE-OE1 3.46Å; K398-E402 WeakPolarHBondContact O-CG 3.43Å; K398-E402 PolarHBondContact O-N 3.18Å; K399-E402 WeakPolarHBondContact CD-OE2 3.33Å; K399-E402 WeakPolarHBondContact CE-OE2 3.34Å; K399-E402 IonicContact NZ-OE1 3.87Å; K399-E402 IonicContact NZ-OE2 3.71Å; K399-E402 PolarHBondContact NZ-OE2 3.32Å; E400-E402 VanDerWaalsContact C-N 3.34Å; E400-E402 PolarHBondContact O-N 3Å; E402-S406 VanDerWaalsContact O-CB 3.29Å; E402-S406 WeakPolarHBondContact O-CB 3.49Å; E402-S406 PolarHBondContact O-N 2.9Å; E402-S406 PolarHBondContact O-OG 3.37Å; E402-F493 HydrophobicContact CB-CE1 4.43Å
403	L	77.6	Confident	78.1	Confident	4 Å²	4	60 Å²	60	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-66.6	-48.1	176.1	177.3	62.9	0	0	0	111.2	K399 E400 N401 S406 L407 F493 L497	K399-L403 PolarHBondContact O-N 2.89Å; K399-L403 VanDerWaalsContact O-N 3.09Å; E400-L403 WeakPolarHBondContact O-CB 3.36Å; E400-L403 PolarHBondContact O-N 3.42Å; E400-L403 VanDerWaalsContact O-N 3.12Å; N401-L403 VanDerWaalsContact C-N 3.29Å; N401-L403 PolarHBondContact O-N 3.28Å; L403-S406 PolarHBondContact O-N 3.2Å; L403-L407 HydrophobicContact CD1-CD1 3.95Å; L403-L407 HydrophobicContact CD1-CG 4.14Å; L403-L407 HydrophobicContact CG-CD1 3.98Å; L403-L407 WeakPolarHBondContact O-CB 3.46Å; L403-L407 WeakPolarHBondContact O-CG 3.07Å; L403-L407 PolarHBondContact O-N 3.35Å; L403-F493 HydrophobicContact CB-CD1 4.47Å; L403-F493 HydrophobicContact CD1-CB 4.09Å; L403-F493 HydrophobicContact CD1-CD2 4.27Å; L403-F493 HydrophobicContact CD1-CG 4.15Å; L403-F493 HydrophobicContact CD2-CB 4.47Å; L403-L497 HydrophobicContact CD2-CD1 4.31Å
404	Y	79.5	Confident	77	Confident	34 Å²	34	62.9 Å²	62.9	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-50.9	177	168.5	-99.9	0	0	0	111.3	E400 N401 S406 L407 M408 L595 N596 H599	E400-Y404 PolarHBondContact O-N 2.92Å; N401-Y404 PolarHBondContact O-N 3.24Å; Y404-S406 VanDerWaalsContact C-N 3.31Å; Y404-S406 PolarHBondContact O-N 2.98Å; Y404-L407 PolarHBondContact O-N 2.91Å; Y404-M408 VanDerWaalsContact O-CB 3.22Å; Y404-M408 WeakPolarHBondContact O-CB 3.44Å; Y404-M408 PolarHBondContact O-N 3.39Å; Y404-L595 HydrophobicContact CD2-CD2 3.86Å; Y404-L595 HydrophobicContact CD2-CG 3.85Å; Y404-L595 HydrophobicContact CE2-CD2 3.9Å; Y404-L595 HydrophobicContact CE2-CG 4Å; Y404-N596 PolarHBondContact OH-OD1 2.95Å; Y404-H599 HydrophobicContact CD2-CB 3.53Å; Y404-H599 AromaticContact CD2-CG 3.6Å; Y404-H599 HydrophobicContact CE2-CB 3.8Å; Y404-H599 AromaticContact CE2-CG 3.94Å; Y404-H599 HydrophobicContact CG-CB 4.2Å; Y404-H599 AromaticContact CG-CG 3.79Å; Y404-H599 AromaticContact CG-ND1 3.76Å
405	E	81.8	Confident	76	Confident	103 Å²	103	60.3 Å²	60.3	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-39	177.7	-74.2	-62.3	149.4	0	0	111.9	N401 M408 N409	N401-E405 WeakPolarHBondContact O-CB 3.3Å; N401-E405 WeakPolarHBondContact O-CG 3.5Å; N401-E405 PolarHBondContact O-N 3.4Å; E405-M408 PolarHBondContact O-N 2.99Å; E405-N409 VanDerWaalsContact O-CB 3.24Å; E405-N409 WeakPolarHBondContact O-CB 3.41Å; E405-N409 VanDerWaalsContact O-CG 3.23Å; E405-N409 PolarHBondContact O-N 3.43Å; E405-N409 PolarHBondContact O-ND2 2.77Å
406	S	76.1	Confident	75.1	Confident	40 Å²	40	60.6 Å²	60.6	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-46.2	177	-61.6	0	0	0	0	111.7	E402 L403 Y404 N409 I410	E402-S406 VanDerWaalsContact O-CB 3.29Å; E402-S406 WeakPolarHBondContact O-CB 3.49Å; E402-S406 PolarHBondContact O-N 2.9Å; E402-S406 PolarHBondContact O-OG 3.37Å; L403-S406 PolarHBondContact O-N 3.2Å; Y404-S406 VanDerWaalsContact C-N 3.31Å; Y404-S406 PolarHBondContact O-N 2.98Å; S406-N409 PolarHBondContact O-N 2.91Å; S406-I410 WeakPolarHBondContact O-CD1 3.48Å; S406-I410 VanDerWaalsContact O-CG1 3.31Å; S406-I410 WeakPolarHBondContact O-CG1 3.46Å; S406-I410 PolarHBondContact O-N 3.36Å
407	L	72.8	Confident	74.3	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-38.4	177.3	-70.2	173.3	0	0	0	111.9	L403 Y404 I410 A411 L489 A526 L595	L403-L407 HydrophobicContact CD1-CD1 3.95Å; L403-L407 HydrophobicContact CD1-CG 4.14Å; L403-L407 HydrophobicContact CG-CD1 3.98Å; L403-L407 WeakPolarHBondContact O-CB 3.46Å; L403-L407 WeakPolarHBondContact O-CG 3.07Å; L403-L407 PolarHBondContact O-N 3.35Å; Y404-L407 PolarHBondContact O-N 2.91Å; L407-I410 PolarHBondContact O-N 3.3Å; L407-A411 PolarHBondContact O-N 3.19Å; L407-L489 HydrophobicContact CD2-CD1 3.95Å; L407-A526 HydrophobicContact CD1-CB 4.41Å; L407-L595 HydrophobicContact CB-CD1 3.84Å; L407-L595 HydrophobicContact CB-CD2 3.86Å; L407-L595 HydrophobicContact CD1-CD1 3.69Å; L407-L595 HydrophobicContact CG-CD1 4.41Å
408	M	76.3	Confident	73.3	Confident	26 Å²	26	60.5 Å²	60.5	13%	0.128	28%	0.283	C	S	.	.	H	α-helix	trans	-68.1	-40.1	177.2	-165.2	58.4	163.6	0	0	111.4	Y404 E405 I410 A411 N412 R592 L595	Y404-M408 VanDerWaalsContact O-CB 3.22Å; Y404-M408 WeakPolarHBondContact O-CB 3.44Å; Y404-M408 PolarHBondContact O-N 3.39Å; E405-M408 PolarHBondContact O-N 2.99Å; M408-I410 VanDerWaalsContact C-N 3.32Å; M408-I410 PolarHBondContact O-N 3.45Å; M408-A411 WeakPolarHBondContact O-CB 3.42Å; M408-A411 PolarHBondContact O-N 2.77Å; M408-N412 WeakPolarHBondContact O-CB 3.45Å; M408-N412 PolarHBondContact O-N 3.4Å; M408-N412 PolarHBondContact O-ND2 3.42Å; M408-N412 VanDerWaalsContact O-ND2 3.13Å; M408-R592 HydrophobicContact CE-CB 4.14Å; M408-R592 HydrophobicContact CE-CG 3.84Å; M408-R592 HydrophobicContact SD-CB 4.27Å; M408-R592 HydrophobicContact SD-CG 3.67Å; M408-L595 HydrophobicContact CB-CD2 3.98Å; M408-L595 HydrophobicContact SD-CD2 4.04Å
409	N	73.2	Confident	72.5	Confident	72 Å²	72	57.4 Å²	57.4	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-36.8	173	-81	-48.4	0	0	0	112.5	E405 S406 N412 R413	E405-N409 VanDerWaalsContact O-CB 3.24Å; E405-N409 WeakPolarHBondContact O-CB 3.41Å; E405-N409 VanDerWaalsContact O-CG 3.23Å; E405-N409 PolarHBondContact O-N 3.43Å; E405-N409 PolarHBondContact O-ND2 2.77Å; S406-N409 PolarHBondContact O-N 2.91Å; N409-N412 PolarHBondContact O-N 2.78Å; N409-R413 VanDerWaalsContact O-CB 3.29Å; N409-R413 WeakPolarHBondContact O-CB 3.36Å; N409-R413 WeakPolarHBondContact O-CG 3.34Å; N409-R413 PolarHBondContact O-N 2.89Å
410	I	67.6	Low	71.9	Confident	54 Å²	54	59.5 Å²	59.5	28%	0.277	28%	0.283	S	S	.	.	H	α-helix	trans	-66.6	-46.8	173.9	-70.7	163.9	0	0	0	110.5	S406 L407 M408 N412 R413 K414 L489	S406-I410 WeakPolarHBondContact O-CD1 3.48Å; S406-I410 VanDerWaalsContact O-CG1 3.31Å; S406-I410 WeakPolarHBondContact O-CG1 3.46Å; S406-I410 PolarHBondContact O-N 3.36Å; L407-I410 PolarHBondContact O-N 3.3Å; M408-I410 VanDerWaalsContact C-N 3.32Å; M408-I410 PolarHBondContact O-N 3.45Å; I410-N412 PolarHBondContact O-N 3.06Å; I410-R413 PolarHBondContact O-N 3.37Å; I410-K414 HydrophobicContact CG2-CG 3.91Å; I410-K414 WeakPolarHBondContact O-CB 3.37Å; I410-K414 WeakPolarHBondContact O-CG 3.41Å; I410-K414 PolarHBondContact O-N 2.99Å; I410-L489 HydrophobicContact CD1-CD1 3.09Å; I410-L489 HydrophobicContact CD1-CG 4.37Å
411	A	65.5	Low	71.2	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-56.3	-38.2	175.2	0	0	0	0	0	112.4	L407 M408 F591 R592	L407-A411 PolarHBondContact O-N 3.19Å; M408-A411 WeakPolarHBondContact O-CB 3.42Å; M408-A411 PolarHBondContact O-N 2.77Å; A411-F591 HydrophobicContact CB-CD1 3.56Å; A411-F591 HydrophobicContact CB-CE1 3.81Å; A411-R592 HydrophobicContact CB-CG 3.95Å
412	N	70.4	Confident	70.3	Confident	83 Å²	83	57.8 Å²	57.8	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-79.3	-45	-178.9	-69	-27.8	0	0	0	113	M408 N409 I410	M408-N412 WeakPolarHBondContact O-CB 3.45Å; M408-N412 PolarHBondContact O-N 3.4Å; M408-N412 PolarHBondContact O-ND2 3.42Å; M408-N412 VanDerWaalsContact O-ND2 3.13Å; N409-N412 PolarHBondContact O-N 2.78Å; I410-N412 PolarHBondContact O-N 3.06Å
413	R	66.7	Low	69.8	Low	199 Å²	199	57.6 Å²	57.6	75%	0.751	28%	0.276	S	S	*	.	H	α-helix	trans	-75.9	-36.8	-178.1	-74.7	-178.6	172.5	176.1	-1.4	112.9	N409 I410 Q415	N409-R413 VanDerWaalsContact O-CB 3.29Å; N409-R413 WeakPolarHBondContact O-CB 3.36Å; N409-R413 WeakPolarHBondContact O-CG 3.34Å; N409-R413 PolarHBondContact O-N 2.89Å; I410-R413 PolarHBondContact O-N 3.37Å; R413-Q415 VanDerWaalsContact C-N 3.27Å; R413-Q415 PolarHBondContact O-N 3.49Å
414	K	60.4	Low	69.7	Low	72 Å²	72	63 Å²	63	31%	0.313	30%	0.301	S	S	.	.	H	α-helix	trans	-82.5	5.6	-176.9	-62	-66.5	-171.2	-177.2	0	113.5	I410 E416 E417 M418	I410-K414 HydrophobicContact CG2-CG 3.91Å; I410-K414 WeakPolarHBondContact O-CB 3.37Å; I410-K414 WeakPolarHBondContact O-CG 3.41Å; I410-K414 PolarHBondContact O-N 2.99Å; K414-E416 VanDerWaalsContact C-N 3.28Å; K414-E416 PolarHBondContact O-N 2.95Å; K414-E417 HydrophobicContact CD-CB 4.03Å; K414-E417 HydrophobicContact CD-CG 4.13Å; K414-E417 WeakPolarHBondContact CD-OE1 3.26Å; K414-E417 WeakPolarHBondContact CD-OE2 3.26Å; K414-E417 WeakPolarHBondContact CE-OE2 3.25Å; K414-E417 IonicContact NZ-OE1 2.71Å; K414-E417 PolarHBondContact NZ-OE1 3.09Å; K414-E417 IonicContact NZ-OE2 2.68Å; K414-E417 PolarHBondContact NZ-OE2 3.34Å; K414-E417 PolarHBondContact O-N 2.64Å; K414-M418 HydrophobicContact CB-CE 3.87Å; K414-M418 WeakPolarHBondContact O-CA 3.44Å; K414-M418 WeakPolarHBondContact O-CB 3.33Å; K414-M418 VanDerWaalsContact O-CG 3.27Å; K414-M418 WeakPolarHBondContact O-CG 3.41Å; K414-M418 PolarHBondContact O-N 3.08Å
415	Q	64.6	Low	69.3	Low	55 Å²	55	61.6 Å²	61.6	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-38.5	176.9	-168.3	-173.3	-72.7	0	0	112	R413 K419 C588	R413-Q415 VanDerWaalsContact C-N 3.27Å; R413-Q415 PolarHBondContact O-N 3.49Å; Q415-K419 PolarHBondContact O-N 3.39Å; Q415-K419 VanDerWaalsContact O-N 3.17Å; Q415-C588 HydrophobicContact CG-CB 4.39Å
416	E	64.5	Low	68.7	Low	102 Å²	102	57.2 Å²	57.2	48%	0.477	28%	0.276	S	S	.	.	H	α-helix	trans	-76.2	-40.8	178	-151.4	65.5	-154.2	0	0	111.1	K414 M418 K419 D420	K414-E416 VanDerWaalsContact C-N 3.28Å; K414-E416 PolarHBondContact O-N 2.95Å; E416-M418 PolarHBondContact O-N 3.44Å; E416-K419 WeakPolarHBondContact O-CB 3.33Å; E416-K419 PolarHBondContact O-N 3.34Å; E416-K419 IonicContact OE1-NZ 2.98Å; E416-K419 PolarHBondContact OE1-NZ 3.3Å; E416-D420 PolarHBondContact O-N 3.18Å
417	E	63	Low	68.7	Low	102 Å²	102	60.6 Å²	60.6	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-67	-34.7	174.1	-67	-173.3	-141.2	0	0	113.1	K414 K419 D420 M421	K414-E417 HydrophobicContact CD-CB 4.03Å; K414-E417 HydrophobicContact CD-CG 4.13Å; K414-E417 WeakPolarHBondContact CD-OE1 3.26Å; K414-E417 WeakPolarHBondContact CD-OE2 3.26Å; K414-E417 WeakPolarHBondContact CE-OE2 3.25Å; K414-E417 IonicContact NZ-OE1 2.71Å; K414-E417 PolarHBondContact NZ-OE1 3.09Å; K414-E417 IonicContact NZ-OE2 2.68Å; K414-E417 PolarHBondContact NZ-OE2 3.34Å; K414-E417 PolarHBondContact O-N 2.64Å; E417-K419 VanDerWaalsContact C-N 3.32Å; E417-D420 PolarHBondContact O-N 3.04Å; E417-M421 VanDerWaalsContact O-CB 3.25Å; E417-M421 WeakPolarHBondContact O-CB 3.39Å; E417-M421 PolarHBondContact O-N 2.92Å
418	M	63.9	Low	69	Low	14 Å²	14	65.3 Å²	65.3	7%	0.069	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-38.6	172.9	-83.1	-174.8	-132.5	0	0	110.8	K414 E416 D420 M421 I422 L482 A584 C588	K414-M418 HydrophobicContact CB-CE 3.87Å; K414-M418 WeakPolarHBondContact O-CA 3.44Å; K414-M418 WeakPolarHBondContact O-CB 3.33Å; K414-M418 VanDerWaalsContact O-CG 3.27Å; K414-M418 WeakPolarHBondContact O-CG 3.41Å; K414-M418 PolarHBondContact O-N 3.08Å; E416-M418 PolarHBondContact O-N 3.44Å; M418-D420 VanDerWaalsContact C-N 3.35Å; M418-M421 HydrophobicContact CG-CE 4.27Å; M418-M421 PolarHBondContact O-N 3.35Å; M418-I422 VanDerWaalsContact O-CB 3.26Å; M418-I422 WeakPolarHBondContact O-CB 3.47Å; M418-I422 VanDerWaalsContact O-CD1 3.25Å; M418-I422 WeakPolarHBondContact O-CD1 3.2Å; M418-I422 WeakPolarHBondContact O-CG1 3.45Å; M418-I422 PolarHBondContact O-N 3.27Å; M418-L482 HydrophobicContact CE-CD2 3.89Å; M418-L482 HydrophobicContact CG-CD2 4.14Å; M418-L482 HydrophobicContact SD-CD2 3.97Å; M418-A584 HydrophobicContact CB-CB 4.35Å; M418-C588 PolarHBondContact SD-SG 3.41Å
419	K	67.7	Low	69	Low	60 Å²	60	65.3 Å²	65.3	26%	0.261	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-47.3	173.3	167.8	-169.4	156.2	-161.4	0	109.9	Q415 E416 E417 I422 V423 A580 A584	Q415-K419 PolarHBondContact O-N 3.39Å; Q415-K419 VanDerWaalsContact O-N 3.17Å; E416-K419 WeakPolarHBondContact O-CB 3.33Å; E416-K419 PolarHBondContact O-N 3.34Å; E416-K419 IonicContact OE1-NZ 2.98Å; E416-K419 PolarHBondContact OE1-NZ 3.3Å; E417-K419 VanDerWaalsContact C-N 3.32Å; K419-I422 PolarHBondContact O-N 3.02Å; K419-V423 VanDerWaalsContact O-CG2 3.29Å; K419-V423 WeakPolarHBondContact O-CG2 3.12Å; K419-V423 PolarHBondContact O-N 3.32Å; K419-A580 HydrophobicContact CG-CB 4.47Å; K419-A584 HydrophobicContact CB-CB 3.94Å
420	D	69	Low	69.3	Low	93 Å²	93	64.4 Å²	64.4	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-41.2	178.6	-65.8	-21.1	0	0	0	112	E416 E417 M418 I422 V423 E424	E416-D420 PolarHBondContact O-N 3.18Å; E417-D420 PolarHBondContact O-N 3.04Å; M418-D420 VanDerWaalsContact C-N 3.35Å; D420-I422 PolarHBondContact O-N 3.41Å; D420-V423 WeakPolarHBondContact O-CB 3.43Å; D420-V423 PolarHBondContact O-N 3.09Å; D420-E424 WeakPolarHBondContact O-CB 3.41Å; D420-E424 PolarHBondContact O-N 3.42Å
421	M	67.3	Low	69.9	Low	32 Å²	32	67.3 Å²	67.3	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-38.5	174.2	-176.9	-171.1	67.8	0	0	112.4	E417 M418 E424 T425 V478 K481 L482	E417-M421 VanDerWaalsContact O-CB 3.25Å; E417-M421 WeakPolarHBondContact O-CB 3.39Å; E417-M421 PolarHBondContact O-N 2.92Å; M418-M421 HydrophobicContact CG-CE 4.27Å; M418-M421 PolarHBondContact O-N 3.35Å; M421-E424 PolarHBondContact O-N 2.79Å; M421-T425 WeakPolarHBondContact O-CB 3.25Å; M421-T425 PolarHBondContact O-N 3.07Å; M421-T425 PolarHBondContact O-OG1 2.91Å; M421-V478 HydrophobicContact CE-CG1 4.03Å; M421-K481 HydrophobicContact CG-CD 3.87Å; M421-K481 HydrophobicContact SD-CB 3.62Å; M421-K481 HydrophobicContact SD-CD 3.93Å; M421-K481 HydrophobicContact SD-CG 4.43Å; M421-L482 HydrophobicContact CE-CD2 4.45Å; M421-L482 HydrophobicContact CE-CG 4.19Å
422	I	66	Low	70.7	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-41.5	175	-72.5	158.9	0	0	0	109.7	M418 K419 D420 L426 V478 A580 L583 A584 I587	M418-I422 VanDerWaalsContact O-CB 3.26Å; M418-I422 WeakPolarHBondContact O-CB 3.47Å; M418-I422 VanDerWaalsContact O-CD1 3.25Å; M418-I422 WeakPolarHBondContact O-CD1 3.2Å; M418-I422 WeakPolarHBondContact O-CG1 3.45Å; M418-I422 PolarHBondContact O-N 3.27Å; K419-I422 PolarHBondContact O-N 3.02Å; D420-I422 PolarHBondContact O-N 3.41Å; I422-L426 HydrophobicContact CG2-CD1 3.77Å; I422-L426 HydrophobicContact CG2-CG 4.32Å; I422-L426 VanDerWaalsContact O-CB 3.23Å; I422-L426 WeakPolarHBondContact O-CB 3.48Å; I422-L426 WeakPolarHBondContact O-CD1 3.08Å; I422-L426 WeakPolarHBondContact O-CG 3.33Å; I422-L426 PolarHBondContact O-N 2.88Å; I422-V478 HydrophobicContact CG1-CG1 4.37Å; I422-V478 HydrophobicContact CG1-CG2 3.93Å; I422-A580 HydrophobicContact CB-CB 4.34Å; I422-A580 HydrophobicContact CG2-CB 3.78Å; I422-L583 HydrophobicContact CD1-CB 4.44Å; I422-L583 HydrophobicContact CD1-CD2 3.83Å; I422-L583 HydrophobicContact CG1-CD2 4.16Å; I422-L583 HydrophobicContact CG2-CD2 3.75Å; I422-A584 HydrophobicContact CD1-CB 3.86Å; I422-I587 HydrophobicContact CD1-CD1 4.23Å
423	V	72	Confident	71.2	Confident	58 Å²	58	68.3 Å²	68.3	35%	0.352	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-48.4	174.2	171.1	0	0	0	0	110.7	K419 D420 T425 L426 N427 A580	K419-V423 VanDerWaalsContact O-CG2 3.29Å; K419-V423 WeakPolarHBondContact O-CG2 3.12Å; K419-V423 PolarHBondContact O-N 3.32Å; D420-V423 WeakPolarHBondContact O-CB 3.43Å; D420-V423 PolarHBondContact O-N 3.09Å; V423-T425 PolarHBondContact O-N 3Å; V423-L426 PolarHBondContact O-N 2.88Å; V423-N427 WeakPolarHBondContact O-CB 3.18Å; V423-N427 PolarHBondContact O-N 3.34Å; V423-N427 PolarHBondContact O-ND2 3.49Å; V423-A580 HydrophobicContact CG2-CB 3.41Å; V423-A580 VanDerWaalsContact CG2-CB 3.41Å
424	E	74.6	Confident	72	Confident	118 Å²	118	59.1 Å²	59.1	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-62	-43.7	179.2	-173.1	-173.8	-158.5	0	0	111.8	D420 M421 N427 T428	D420-E424 WeakPolarHBondContact O-CB 3.41Å; D420-E424 PolarHBondContact O-N 3.42Å; M421-E424 PolarHBondContact O-N 2.79Å; E424-N427 PolarHBondContact O-N 2.93Å; E424-T428 PolarHBondContact O-N 3.23Å; E424-T428 PolarHBondContact O-OG1 2.97Å
425	T	71	Confident	73	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-68.7	-41	179.4	-56.1	0	0	0	0	111.5	M421 V423 N427 T428 M429 A477 K481	M421-T425 WeakPolarHBondContact O-CB 3.25Å; M421-T425 PolarHBondContact O-N 3.07Å; M421-T425 PolarHBondContact O-OG1 2.91Å; V423-T425 PolarHBondContact O-N 3Å; T425-N427 VanDerWaalsContact C-N 3.29Å; T425-N427 PolarHBondContact O-N 3.27Å; T425-T428 WeakPolarHBondContact CA-OG1 3.4Å; T425-T428 PolarHBondContact O-N 3.37Å; T425-T428 PolarHBondContact O-OG1 2.83Å; T425-M429 HydrophobicContact CG2-CG 4.2Å; T425-M429 HydrophobicContact CG2-SD 3.51Å; T425-M429 VanDerWaalsContact CG2-SD 3.51Å; T425-M429 VanDerWaalsContact O-CB 3.28Å; T425-M429 WeakPolarHBondContact O-CB 3.49Å; T425-M429 VanDerWaalsContact O-CG 3.27Å; T425-M429 WeakPolarHBondContact O-CG 3.44Å; T425-M429 PolarHBondContact O-N 3.44Å; T425-A477 HydrophobicContact CG2-CB 3.79Å; T425-K481 PolarHBondContact OG1-NZ 3.34Å; T425-K481 VanDerWaalsContact OG1-NZ 3.1Å
426	L	69.6	Low	73.9	Confident	12 Å²	12	58.5 Å²	58.5	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-39.7	171.7	-78.9	168.2	0	0	0	111.3	I422 V423 K430 L474 I575 L578	I422-L426 HydrophobicContact CG2-CD1 3.77Å; I422-L426 HydrophobicContact CG2-CG 4.32Å; I422-L426 VanDerWaalsContact O-CB 3.23Å; I422-L426 WeakPolarHBondContact O-CB 3.48Å; I422-L426 WeakPolarHBondContact O-CD1 3.08Å; I422-L426 WeakPolarHBondContact O-CG 3.33Å; I422-L426 PolarHBondContact O-N 2.88Å; V423-L426 PolarHBondContact O-N 2.88Å; L426-K430 WeakPolarHBondContact O-CA 3.41Å; L426-K430 VanDerWaalsContact O-CB 3.29Å; L426-K430 WeakPolarHBondContact O-CB 3.46Å; L426-K430 PolarHBondContact O-N 3.24Å; L426-L474 HydrophobicContact CD2-CD1 3.6Å; L426-L474 HydrophobicContact CD2-CD2 3.91Å; L426-L474 HydrophobicContact CD2-CG 4.34Å; L426-L474 HydrophobicContact CG-CD1 3.79Å; L426-L474 HydrophobicContact CG-CD2 4.45Å; L426-I575 HydrophobicContact CD2-CG2 4.39Å; L426-L578 HydrophobicContact CD2-CD1 4.39Å
427	N	76.2	Confident	74.7	Confident	111 Å²	111	53.6 Å²	53.6	59%	0.594	27%	0.272	S	S	*	.	H	α-helix	trans	-70.5	-38.2	177.9	-72.3	-26.2	0	0	0	112.7	V423 E424 T425	V423-N427 WeakPolarHBondContact O-CB 3.18Å; V423-N427 PolarHBondContact O-N 3.34Å; V423-N427 PolarHBondContact O-ND2 3.49Å; E424-N427 PolarHBondContact O-N 2.93Å; T425-N427 VanDerWaalsContact C-N 3.29Å; T425-N427 PolarHBondContact O-N 3.27Å
428	T	79.7	Confident	75.6	Confident	103 Å²	103	48.9 Å²	48.9	63%	0.632	25%	0.25	S	C	*	.	H	α-helix	trans	-73.1	-38.8	177.7	18.7	0	0	0	0	112.1	E424 T425 K430	E424-T428 PolarHBondContact O-N 3.23Å; E424-T428 PolarHBondContact O-OG1 2.97Å; T425-T428 WeakPolarHBondContact CA-OG1 3.4Å; T425-T428 PolarHBondContact O-N 3.37Å; T425-T428 PolarHBondContact O-OG1 2.83Å; T428-K430 VanDerWaalsContact C-N 3.35Å
429	M	75.9	Confident	76.5	Confident	26 Å²	26	53.8 Å²	53.8	13%	0.128	28%	0.276	C	S	.	.	H	α-helix	trans	-85.8	-5.2	179.9	-62.1	178.5	70.5	0	0	113.5	T425 E431 E432 L433 R473 A477	T425-M429 HydrophobicContact CG2-CG 4.2Å; T425-M429 HydrophobicContact CG2-SD 3.51Å; T425-M429 VanDerWaalsContact CG2-SD 3.51Å; T425-M429 VanDerWaalsContact O-CB 3.28Å; T425-M429 WeakPolarHBondContact O-CB 3.49Å; T425-M429 VanDerWaalsContact O-CG 3.27Å; T425-M429 WeakPolarHBondContact O-CG 3.44Å; T425-M429 PolarHBondContact O-N 3.44Å; M429-E431 PolarHBondContact O-N 3.16Å; M429-E432 PolarHBondContact O-N 2.91Å; M429-L433 HydrophobicContact CB-CD1 3.96Å; M429-L433 HydrophobicContact CB-CG 4.19Å; M429-L433 WeakPolarHBondContact O-CB 3.3Å; M429-L433 VanDerWaalsContact O-CG 3.27Å; M429-L433 WeakPolarHBondContact O-CG 3.17Å; M429-L433 PolarHBondContact O-N 3.26Å; M429-R473 HydrophobicContact CE-CB 4.21Å; M429-A477 HydrophobicContact CE-CB 3.9Å; M429-A477 HydrophobicContact SD-CB 3.29Å; M429-A477 WeakPolarHBondContact SD-CB 3.49Å
430	K	79.1	Confident	77.2	Confident	52 Å²	52	52.6 Å²	52.6	23%	0.226	27%	0.272	C	S	.	.	H	α-helix	trans	-53.1	-55.7	-172.3	-170.3	176.2	-179.5	177.7	0	111.6	L426 T428 E432 L433 L434 I575 E576	L426-K430 WeakPolarHBondContact O-CA 3.41Å; L426-K430 VanDerWaalsContact O-CB 3.29Å; L426-K430 WeakPolarHBondContact O-CB 3.46Å; L426-K430 PolarHBondContact O-N 3.24Å; T428-K430 VanDerWaalsContact C-N 3.35Å; K430-E432 PolarHBondContact O-N 3.45Å; K430-L433 PolarHBondContact O-N 3.17Å; K430-L434 HydrophobicContact CG-CD1 4.13Å; K430-L434 WeakPolarHBondContact O-CG 3.49Å; K430-L434 PolarHBondContact O-N 3.22Å; K430-I575 HydrophobicContact CG-CD1 4.48Å; K430-E576 IonicContact NZ-OE1 2.68Å
431	E	81.7	Confident	77.6	Confident	116 Å²	116	56.7 Å²	56.7	54%	0.542	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-39.3	-177	-66.9	-56.1	136.2	0	0	112.3	M429 L434 D435	M429-E431 PolarHBondContact O-N 3.16Å; E431-L434 PolarHBondContact O-N 2.89Å; E431-D435 PolarHBondContact O-N 2.91Å
432	E	82.3	Confident	78.3	Confident	103 Å²	103	56.2 Å²	56.2	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-63.9	-42.9	177.1	-169.2	-173.6	165.8	0	0	111.8	M429 K430 L434 D435 D436 R473	M429-E432 PolarHBondContact O-N 2.91Å; K430-E432 PolarHBondContact O-N 3.45Å; E432-L434 VanDerWaalsContact C-N 3.34Å; E432-L434 PolarHBondContact O-N 3.44Å; E432-D435 PolarHBondContact O-N 3.45Å; E432-D436 WeakPolarHBondContact O-CB 3.49Å; E432-D436 PolarHBondContact O-N 3.07Å; E432-R473 IonicContact OE1-NH1 3.59Å
433	L	80.3	Confident	78.5	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-67.3	-34.6	176.6	-70.8	171.7	0	0	0	112.4	M429 K430 A437 I470 R473 I575	M429-L433 HydrophobicContact CB-CD1 3.96Å; M429-L433 HydrophobicContact CB-CG 4.19Å; M429-L433 WeakPolarHBondContact O-CB 3.3Å; M429-L433 VanDerWaalsContact O-CG 3.27Å; M429-L433 WeakPolarHBondContact O-CG 3.17Å; M429-L433 PolarHBondContact O-N 3.26Å; K430-L433 PolarHBondContact O-N 3.17Å; L433-A437 VanDerWaalsContact O-CB 3.25Å; L433-A437 WeakPolarHBondContact O-CB 3.36Å; L433-A437 PolarHBondContact O-N 3.42Å; L433-I470 HydrophobicContact CD1-CG2 4.42Å; L433-R473 HydrophobicContact CD2-CB 3.6Å; L433-R473 HydrophobicContact CD2-CG 4.04Å; L433-I575 HydrophobicContact CB-CD1 4.08Å; L433-I575 HydrophobicContact CD1-CD1 4.32Å
434	L	82.7	Confident	78.4	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-67.3	-42	174.6	-68.5	174	0	0	0	111.1	K430 E431 E432 A438 R568 A571 Q572 I575	K430-L434 HydrophobicContact CG-CD1 4.13Å; K430-L434 WeakPolarHBondContact O-CG 3.49Å; K430-L434 PolarHBondContact O-N 3.22Å; E431-L434 PolarHBondContact O-N 2.89Å; E432-L434 VanDerWaalsContact C-N 3.34Å; E432-L434 PolarHBondContact O-N 3.44Å; L434-A438 WeakPolarHBondContact O-CB 3.34Å; L434-A438 PolarHBondContact O-N 2.98Å; L434-R568 VanDerWaalsContact CD2-O 3.29Å; L434-R568 WeakPolarHBondContact CD2-O 3.37Å; L434-A571 HydrophobicContact CD2-CB 3.84Å; L434-Q572 HydrophobicContact CD2-CB 3.71Å; L434-I575 HydrophobicContact CD2-CD1 4.3Å; L434-I575 HydrophobicContact CG-CD1 4.5Å
435	D	82.6	Confident	78.1	Confident	67 Å²	67	64.1 Å²	64.1	36%	0.358	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-46.1	174	-86	-30	0	0	0	112.1	E431 E432 A437 A438 N439 R568	E431-D435 PolarHBondContact O-N 2.91Å; E432-D435 PolarHBondContact O-N 3.45Å; D435-A437 VanDerWaalsContact C-N 3.34Å; D435-A437 PolarHBondContact O-N 3.1Å; D435-A438 WeakPolarHBondContact O-CB 3.28Å; D435-A438 PolarHBondContact O-N 3.36Å; D435-N439 PolarHBondContact O-N 3.2Å; D435-N439 PolarHBondContact O-ND2 3.49Å; D435-N439 VanDerWaalsContact O-ND2 3.11Å; D435-R568 IonicContact OD1-CZ 2.73Å; D435-R568 IonicContact OD1-NH1 2.97Å; D435-R568 PolarHBondContact OD1-NH1 3.44Å; D435-R568 IonicContact OD1-NH2 3.47Å; D435-R568 PolarHBondContact OD1-NH2 3.39Å; D435-R568 IonicContact OD2-NH2 3.85Å
436	D	83.2	Confident	77.9	Confident	46 Å²	46	71.6 Å²	71.6	25%	0.246	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-42.7	177.4	-86.7	1	0	0	0	111.6	E432 N439 M440 L469 R473	E432-D436 WeakPolarHBondContact O-CB 3.49Å; E432-D436 PolarHBondContact O-N 3.07Å; D436-N439 PolarHBondContact O-N 3.35Å; D436-M440 WeakPolarHBondContact O-CB 3.47Å; D436-M440 PolarHBondContact O-N 2.88Å; D436-L469 HydrophobicContact CB-CD2 4.32Å; D436-R473 IonicContact OD2-CZ 2.71Å; D436-R473 IonicContact OD2-NH1 2.76Å; D436-R473 PolarHBondContact OD2-NH1 2.98Å; D436-R473 IonicContact OD2-NH2 3.94Å; D436-R473 PolarHBondContact OD2-NH2 3.38Å
437	A	81.5	Confident	77.7	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-67.5	-36.5	176.2	0	0	0	0	0	112.4	L433 D435 N439 M440 I466 K567 A571	L433-A437 VanDerWaalsContact O-CB 3.25Å; L433-A437 WeakPolarHBondContact O-CB 3.36Å; L433-A437 PolarHBondContact O-N 3.42Å; D435-A437 VanDerWaalsContact C-N 3.34Å; D435-A437 PolarHBondContact O-N 3.1Å; A437-N439 VanDerWaalsContact C-N 3.34Å; A437-M440 WeakPolarHBondContact O-CB 3.33Å; A437-M440 PolarHBondContact O-N 3.41Å; A437-I466 HydrophobicContact CB-CG2 4.17Å; A437-K567 WeakPolarHBondContact O-CB 3.5Å; A437-K567 VanDerWaalsContact O-CD 3.31Å; A437-K567 WeakPolarHBondContact O-CD 3.23Å; A437-A571 HydrophobicContact CB-CB 3.47Å; A437-A571 VanDerWaalsContact CB-CB 3.47Å
438	A	82	Confident	77.2	Confident	2 Å²	2	71 Å²	71	2%	0.017	36%	0.363	C	S	.	.	H	α-helix	trans	-60.2	-46.6	174.8	0	0	0	0	0	110.9	L434 D435 M440 L564 K567 R568	L434-A438 WeakPolarHBondContact O-CB 3.34Å; L434-A438 PolarHBondContact O-N 2.98Å; D435-A438 WeakPolarHBondContact O-CB 3.28Å; D435-A438 PolarHBondContact O-N 3.36Å; A438-M440 VanDerWaalsContact C-N 3.29Å; A438-M440 PolarHBondContact O-N 3.14Å; A438-L564 HydrophobicContact CB-CD2 4.27Å; A438-L564 WeakPolarHBondContact O-CD2 3.49Å; A438-K567 WeakPolarHBondContact O-CD 3.18Å; A438-K567 PolarHBondContact O-NZ 2.83Å; A438-R568 HydrophobicContact CB-CG 3.65Å
439	N	82.8	Confident	76.1	Confident	117 Å²	117	75.4 Å²	75.4	63%	0.626	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	0.6	-175.3	-62	-37.9	0	0	0	113.7	D435 D436 A437 E441	D435-N439 PolarHBondContact O-N 3.2Å; D435-N439 PolarHBondContact O-ND2 3.49Å; D435-N439 VanDerWaalsContact O-ND2 3.11Å; D436-N439 PolarHBondContact O-N 3.35Å; A437-N439 VanDerWaalsContact C-N 3.34Å; N439-E441 PolarHBondContact O-N 2.8Å
440	M	81.3	Confident	75.3	Confident	36 Å²	36	81.2 Å²	81.2	18%	0.177	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-67.5	130.1	-177.8	-173.4	179.9	-166.9	0	0	112.3	D436 A437 A438 F442 Q465 I466 L469 K567	D436-M440 WeakPolarHBondContact O-CB 3.47Å; D436-M440 PolarHBondContact O-N 2.88Å; A437-M440 WeakPolarHBondContact O-CB 3.33Å; A437-M440 PolarHBondContact O-N 3.41Å; A438-M440 VanDerWaalsContact C-N 3.29Å; A438-M440 PolarHBondContact O-N 3.14Å; M440-F442 HydrophobicContact SD-CE1 4.26Å; M440-Q465 HydrophobicContact CE-CB 3.88Å; M440-I466 HydrophobicContact SD-CG1 4.09Å; M440-L469 HydrophobicContact CB-CD2 4.49Å; M440-L469 HydrophobicContact CE-CB 4.29Å; M440-L469 HydrophobicContact CE-CD2 4.5Å; M440-L469 HydrophobicContact CG-CD2 4.4Å; M440-L469 HydrophobicContact SD-CB 4.33Å; M440-L469 HydrophobicContact SD-CD2 3.84Å; M440-K567 PolarHBondContact O-NZ 3.32Å
441	E	78.3	Confident	74.3	Confident	178 Å²	178	80.9 Å²	80.9	83%	0.832	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-88.4	130.3	166.1	-66.5	-176.9	177	0	0	110.3	N439	N439-E441 PolarHBondContact O-N 2.8Å
442	F	81.1	Confident	73.2	Confident	22 Å²	22	81.4 Å²	81.4	10%	0.096	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-83	130.1	-179.8	-66.3	-62.6	0	0	0	110.9	M440 V445 V447 C462 Q465 I466 I562 W566 K567	M440-F442 HydrophobicContact SD-CE1 4.26Å; F442-V445 HydrophobicContact CB-CB 4.1Å; F442-V447 HydrophobicContact CD2-CG2 4.21Å; F442-C462 HydrophobicContact CD1-CB 3.95Å; F442-C462 HydrophobicContact CD2-CB 4.2Å; F442-C462 WeakPolarHBondContact CD2-SG 3.27Å; F442-C462 HydrophobicContact CE1-CB 3.6Å; F442-C462 VanDerWaalsContact CE1-O 3.31Å; F442-C462 WeakPolarHBondContact CE1-O 3.28Å; F442-C462 HydrophobicContact CE2-CB 3.86Å; F442-C462 HydrophobicContact CG-CB 4.24Å; F442-C462 VanDerWaalsContact CG-SG 3.57Å; F442-C462 HydrophobicContact CZ-CB 3.56Å; F442-Q465 HydrophobicContact CD1-CB 4.06Å; F442-Q465 HydrophobicContact CE1-CB 4.32Å; F442-I466 HydrophobicContact CE1-CD1 4Å; F442-I466 HydrophobicContact CE1-CG1 3.85Å; F442-I466 HydrophobicContact CZ-CD1 3.68Å; F442-I466 HydrophobicContact CZ-CG1 4.02Å; F442-I562 HydrophobicContact CD2-CG2 4.26Å; F442-I562 HydrophobicContact CE2-CG2 3.59Å; F442-W566 HydrophobicContact CZ-CZ3 4.35Å; F442-K567 HydrophobicContact CE2-CD 4.03Å; F442-K567 VanDerWaalsContact CE2-CE 3.49Å; F442-K567 HydrophobicContact CE2-CG 4.21Å; F442-K567 HydrophobicContact CZ-CD 4.14Å; F442-K567 HydrophobicContact CZ-CG 4.14Å
443	K	71.4	Confident	72	Confident	159 Å²	159	80.3 Å²	80.3	69%	0.691	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	139.3	171.9	-66.7	-178.9	177.8	178.7	0	109.7	V445 Q465	K443-V445 PolarHBondContact O-N 3.05Å; K443-Q465 PolarHBondContact O-NE2 2.89Å
444	D	68.8	Low	71.4	Confident	166 Å²	166	81 Å²	81	89%	0.888	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	22.4	175.6	-48.9	-44.1	0	0	0	115.5
445	V	69.6	Low	70.6	Confident	18 Å²	18	82.3 Å²	82.3	11%	0.109	44%	0.442	C	S	.	.			trans	-132.1	122.6	173.9	-177.1	0	0	0	0	109.4	F442 K443 E458 C461	F442-V445 HydrophobicContact CB-CB 4.1Å; K443-V445 PolarHBondContact O-N 3.05Å; V445-E458 HydrophobicContact CG1-CB 4.03Å; V445-C461 HydrophobicContact CG2-CB 3.96Å
446	I	66.6	Low	69.9	Low	161 Å²	161	83.4 Å²	83.4	83%	0.826	45%	0.452	S	S	*	.			trans	-87.5	113.3	175.5	-57.6	173.5	0	0	0	108	P448	I446-P448 WeakPolarHBondContact O-CD 3.48Å
447	V	65.6	Low	69.2	Low	60 Å²	60	91.1 Å²	91.1	36%	0.364	48%	0.477	S	S	.	.			trans	-92.1	116.3	177.4	-176.4	0	0	0	0	108.9	F442 I562	F442-V447 HydrophobicContact CD2-CG2 4.21Å; V447-I562 HydrophobicContact CG1-CB 3.91Å; V447-I562 HydrophobicContact CG1-CG2 4.29Å; V447-I562 HydrophobicContact CG2-CD1 4.24Å; V447-I562 HydrophobicContact CG2-CG2 4.37Å
448	P	64	Low	68.8	Low	52 Å²	52	94.9 Å²	94.9	34%	0.338	50%	0.495	S	S	.	.			trans	-71.9	134.8	-180	25.8	-30.5	0	0	0	111.9	I446 N450 E452 V454	I446-P448 WeakPolarHBondContact O-CD 3.48Å; P448-N450 PolarHBondContact O-N 2.95Å; P448-E452 HydrophobicContact CB-CB 4.31Å; P448-E452 HydrophobicContact CG-CB 4.01Å; P448-V454 HydrophobicContact CG-CG2 4.24Å
449	E	57.9	Low	68.4	Low	195 Å²	195	95.8 Å²	95.8	91%	0.911	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.1	-173.4	-69.2	-177.5	161.7	0	0	114.5
450	N	58.6	Low	67.8	Low	148 Å²	148	94.8 Å²	94.8	79%	0.791	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	14.4	-169.1	-64.8	-13.3	0	0	0	114.8	P448 E452	P448-N450 PolarHBondContact O-N 2.95Å; N450-E452 PolarHBondContact O-N 3.33Å
451	G	57.9	Low	67.5	Low	44 Å²	44	94.1 Å²	94.1	45%	0.454	49%	0.488	S	S	.	.			trans	73.5	23.8	177.3	0	0	0	0	0	114.9
452	E	59.3	Low	67.4	Low	127 Å²	127	85.7 Å²	85.7	59%	0.593	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-70.6	148	176.8	-76.3	-97.8	149.3	0	0	112.4	P448 N450 V454	P448-E452 HydrophobicContact CB-CB 4.31Å; P448-E452 HydrophobicContact CG-CB 4.01Å; N450-E452 PolarHBondContact O-N 3.33Å; E452-V454 PolarHBondContact O-N 3.24Å
453	P	57.6	Low	67.1	Low	81 Å²	81	84.9 Å²	84.9	53%	0.526	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-53.3	121.2	175.1	-30.9	38.5	0	0	0	114.1	P559	P453-P559 HydrophobicContact CB-CB 3.66Å; P453-P559 HydrophobicContact CB-CG 3.8Å; P453-P559 HydrophobicContact CG-CB 4.33Å; P453-P559 HydrophobicContact CG-CG 4.3Å
454	V	66.3	Low	67.1	Low	15 Å²	15	83.4 Å²	83.4	9%	0.091	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-88.5	142.5	172.8	-175.1	0	0	0	0	109.8	P448 E452 E458 I459 I562	P448-V454 HydrophobicContact CG-CG2 4.24Å; E452-V454 PolarHBondContact O-N 3.24Å; V454-E458 HydrophobicContact CG1-CB 3.45Å; V454-E458 VanDerWaalsContact CG1-CB 3.45Å; V454-E458 HydrophobicContact CG1-CG 4.28Å; V454-I459 HydrophobicContact CB-CD1 4.46Å; V454-I459 HydrophobicContact CB-CG1 4.11Å; V454-I459 HydrophobicContact CG1-CG1 4.27Å; V454-I459 VanDerWaalsContact O-CD1 3.27Å; V454-I459 WeakPolarHBondContact O-CD1 3.26Å; V454-I562 HydrophobicContact CB-CD1 4.06Å; V454-I562 HydrophobicContact CB-CG1 4.47Å; V454-I562 HydrophobicContact CG1-CD1 4.03Å; V454-I562 HydrophobicContact CG2-CD1 3.75Å; V454-I562 HydrophobicContact CG2-CG1 3.99Å
455	G	66.5	Low	67.6	Low	34 Å²	34	76.4 Å²	76.4	35%	0.351	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-61.8	153.2	-178.5	0	0	0	0	0	113.6	R457 E458 I459	G455-R457 PolarHBondContact O-N 3.12Å; G455-R457 VanDerWaalsContact O-N 3.09Å; G455-E458 WeakPolarHBondContact CA-OE2 2.97Å; G455-E458 PolarHBondContact O-N 3.42Å; G455-E458 VanDerWaalsContact O-N 3.17Å; G455-E458 VanDerWaalsContact O-OE2 3.11Å; G455-I459 PolarHBondContact O-N 3.06Å
456	T	67.1	Low	67.9	Low	91 Å²	91	75.6 Å²	75.6	56%	0.558	39%	0.392	S	S	*	.	H	α-helix	trans	-61.9	-21.5	-175.5	-39.5	0	0	0	0	113.2	K460	T456-K460 WeakPolarHBondContact O-CB 3.39Å; T456-K460 WeakPolarHBondContact O-CD 3.48Å; T456-K460 VanDerWaalsContact O-CG 3.23Å; T456-K460 WeakPolarHBondContact O-CG 3.44Å; T456-K460 PolarHBondContact O-N 3.5Å
457	R	69.3	Low	68.1	Low	208 Å²	208	68.9 Å²	68.9	79%	0.785	36%	0.357	S	S	*	.	H	α-helix	trans	-81.1	-39	179.3	-173.2	179.9	178.7	179.9	-2.2	111.2	G455 K460 C461	G455-R457 PolarHBondContact O-N 3.12Å; G455-R457 VanDerWaalsContact O-N 3.09Å; R457-K460 WeakPolarHBondContact O-CB 3.45Å; R457-K460 PolarHBondContact O-N 3.12Å; R457-C461 PolarHBondContact O-N 3.43Å; R457-C461 VanDerWaalsContact O-N 3.07Å
458	E	72.1	Confident	68.3	Low	78 Å²	78	71 Å²	71	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-71.7	-43.7	178.9	-64.7	71.7	-152.5	0	0	110.2	V445 V454 G455 K460 C461 C462	V445-E458 HydrophobicContact CG1-CB 4.03Å; V454-E458 HydrophobicContact CG1-CB 3.45Å; V454-E458 VanDerWaalsContact CG1-CB 3.45Å; V454-E458 HydrophobicContact CG1-CG 4.28Å; G455-E458 WeakPolarHBondContact CA-OE2 2.97Å; G455-E458 PolarHBondContact O-N 3.42Å; G455-E458 VanDerWaalsContact O-N 3.17Å; G455-E458 VanDerWaalsContact O-OE2 3.11Å; E458-K460 VanDerWaalsContact C-N 3.3Å; E458-K460 PolarHBondContact O-N 3.27Å; E458-C461 WeakPolarHBondContact O-CA 3.35Å; E458-C461 VanDerWaalsContact O-CB 3.28Å; E458-C461 WeakPolarHBondContact O-CB 3.41Å; E458-C461 PolarHBondContact O-N 3.25Å; E458-C462 PolarHBondContact O-N 3.35Å; E458-C462 PolarHBondContact O-SG 3.35Å; E458-C462 VanDerWaalsContact O-SG 3.41Å
459	I	73.6	Confident	69	Low	21 Å²	21	70.4 Å²	70.4	11%	0.108	36%	0.357	C	S	.	.	H	α-helix	trans	-58	-42.9	172	-69.2	174.7	0	0	0	111.1	V454 G455 C461 C462 I463 W566	V454-I459 HydrophobicContact CB-CD1 4.46Å; V454-I459 HydrophobicContact CB-CG1 4.11Å; V454-I459 HydrophobicContact CG1-CG1 4.27Å; V454-I459 VanDerWaalsContact O-CD1 3.27Å; V454-I459 WeakPolarHBondContact O-CD1 3.26Å; G455-I459 PolarHBondContact O-N 3.06Å; I459-C461 VanDerWaalsContact C-N 3.28Å; I459-C461 PolarHBondContact O-N 3.1Å; I459-C462 PolarHBondContact O-N 3Å; I459-I463 HydrophobicContact CG2-CD1 3.83Å; I459-I463 HydrophobicContact CG2-CG1 4.46Å; I459-I463 VanDerWaalsContact O-CG1 3.31Å; I459-I463 WeakPolarHBondContact O-CG1 3.46Å; I459-I463 PolarHBondContact O-N 3.44Å; I459-W566 HydrophobicContact CG2-CH2 4.43Å; I459-W566 HydrophobicContact CG2-CZ2 4.03Å
460	K	71.1	Confident	69.7	Low	96 Å²	96	61.3 Å²	61.3	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-35.3	174.3	-80.9	173.8	-177.2	177.4	0	112.6	T456 R457 E458 R464 I551	T456-K460 WeakPolarHBondContact O-CB 3.39Å; T456-K460 WeakPolarHBondContact O-CD 3.48Å; T456-K460 VanDerWaalsContact O-CG 3.23Å; T456-K460 WeakPolarHBondContact O-CG 3.44Å; T456-K460 PolarHBondContact O-N 3.5Å; R457-K460 WeakPolarHBondContact O-CB 3.45Å; R457-K460 PolarHBondContact O-N 3.12Å; E458-K460 VanDerWaalsContact C-N 3.3Å; E458-K460 PolarHBondContact O-N 3.27Å; K460-R464 WeakPolarHBondContact O-CB 3.24Å; K460-R464 PolarHBondContact O-N 2.92Å; K460-I551 HydrophobicContact CG-CD1 3.8Å
461	C	75.5	Confident	70.2	Confident	23 Å²	23	55.6 Å²	55.6	16%	0.155	28%	0.284	C	S	.	.	H	α-helix	trans	-68.3	-44.1	176.1	-164.4	0	0	0	0	111.4	V445 R457 E458 I459 R464 Q465	V445-C461 HydrophobicContact CG2-CB 3.96Å; R457-C461 PolarHBondContact O-N 3.43Å; R457-C461 VanDerWaalsContact O-N 3.07Å; E458-C461 WeakPolarHBondContact O-CA 3.35Å; E458-C461 VanDerWaalsContact O-CB 3.28Å; E458-C461 WeakPolarHBondContact O-CB 3.41Å; E458-C461 PolarHBondContact O-N 3.25Å; I459-C461 VanDerWaalsContact C-N 3.28Å; I459-C461 PolarHBondContact O-N 3.1Å; C461-R464 WeakPolarHBondContact O-CB 3.45Å; C461-R464 PolarHBondContact O-N 3.46Å; C461-Q465 WeakPolarHBondContact O-CG 3.38Å; C461-Q465 PolarHBondContact O-N 3.18Å; C461-Q465 PolarHBondContact SG-NE2 3.13Å; C461-Q465 VanDerWaalsContact SG-NE2 3.43Å
462	C	76.1	Confident	70.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-46.3	176.8	-68.2	0	0	0	0	112.7	F442 E458 I459 R464 Q465 I466 W566	F442-C462 HydrophobicContact CD1-CB 3.95Å; F442-C462 HydrophobicContact CD2-CB 4.2Å; F442-C462 WeakPolarHBondContact CD2-SG 3.27Å; F442-C462 HydrophobicContact CE1-CB 3.6Å; F442-C462 VanDerWaalsContact CE1-O 3.31Å; F442-C462 WeakPolarHBondContact CE1-O 3.28Å; F442-C462 HydrophobicContact CE2-CB 3.86Å; F442-C462 HydrophobicContact CG-CB 4.24Å; F442-C462 VanDerWaalsContact CG-SG 3.57Å; F442-C462 HydrophobicContact CZ-CB 3.56Å; E458-C462 PolarHBondContact O-N 3.35Å; E458-C462 PolarHBondContact O-SG 3.35Å; E458-C462 VanDerWaalsContact O-SG 3.41Å; I459-C462 PolarHBondContact O-N 3Å; C462-R464 VanDerWaalsContact C-N 3.29Å; C462-R464 PolarHBondContact O-N 2.84Å; C462-Q465 PolarHBondContact O-N 3.03Å; C462-I466 PolarHBondContact O-N 3.4Å; C462-W566 HydrophobicContact CB-CH2 4.06Å; C462-W566 HydrophobicContact CB-CZ3 4.26Å
463	I	74.1	Confident	71.3	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-43.3	176.3	-68	167.5	0	0	0	110.4	I459 Q465 Q467 I551 W566 V570	I459-I463 HydrophobicContact CG2-CD1 3.83Å; I459-I463 HydrophobicContact CG2-CG1 4.46Å; I459-I463 VanDerWaalsContact O-CG1 3.31Å; I459-I463 WeakPolarHBondContact O-CG1 3.46Å; I459-I463 PolarHBondContact O-N 3.44Å; I463-Q465 PolarHBondContact O-N 3.43Å; I463-Q467 VanDerWaalsContact O-CG 3.26Å; I463-Q467 WeakPolarHBondContact O-CG 3.48Å; I463-Q467 PolarHBondContact O-N 3.33Å; I463-Q467 VanDerWaalsContact O-N 3.16Å; I463-I551 HydrophobicContact CD1-CD1 4.36Å; I463-I551 HydrophobicContact CD1-CG1 3.91Å; I463-W566 HydrophobicContact CG1-CH2 4.14Å; I463-W566 HydrophobicContact CG1-CZ2 4.25Å; I463-V570 HydrophobicContact CG1-CG1 4.04Å; I463-V570 HydrophobicContact CG2-CG1 4.41Å
464	R	72.6	Confident	71.9	Confident	127 Å²	127	50.7 Å²	50.7	48%	0.479	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-43.7	177.4	-176.7	178.7	64.5	-170.3	0.4	112	K460 C461 C462 Q467 E468	K460-R464 WeakPolarHBondContact O-CB 3.24Å; K460-R464 PolarHBondContact O-N 2.92Å; C461-R464 WeakPolarHBondContact O-CB 3.45Å; C461-R464 PolarHBondContact O-N 3.46Å; C462-R464 VanDerWaalsContact C-N 3.29Å; C462-R464 PolarHBondContact O-N 2.84Å; R464-Q467 PolarHBondContact O-N 3.25Å; R464-E468 WeakPolarHBondContact O-CG 3.32Å; R464-E468 PolarHBondContact O-N 3.21Å
465	Q	78.6	Confident	71.9	Confident	20 Å²	20	51.1 Å²	51.1	9%	0.093	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-41.3	-180	-73.2	-177.2	56.1	0	0	113	M440 F442 K443 C461 C462 I463 Q467 E468 L469	M440-Q465 HydrophobicContact CE-CB 3.88Å; F442-Q465 HydrophobicContact CD1-CB 4.06Å; F442-Q465 HydrophobicContact CE1-CB 4.32Å; K443-Q465 PolarHBondContact O-NE2 2.89Å; C461-Q465 WeakPolarHBondContact O-CG 3.38Å; C461-Q465 PolarHBondContact O-N 3.18Å; C461-Q465 PolarHBondContact SG-NE2 3.13Å; C461-Q465 VanDerWaalsContact SG-NE2 3.43Å; C462-Q465 PolarHBondContact O-N 3.03Å; I463-Q465 PolarHBondContact O-N 3.43Å; Q465-Q467 VanDerWaalsContact C-N 3.26Å; Q465-Q467 PolarHBondContact O-N 3.08Å; Q465-E468 PolarHBondContact O-N 3.1Å; Q465-L469 PolarHBondContact O-N 3.31Å
466	I	76.4	Confident	71.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-39.9	173.6	-76.7	162.7	0	0	0	110.8	A437 M440 F442 C462 L469 I470 K567 V570 A571	A437-I466 HydrophobicContact CB-CG2 4.17Å; M440-I466 HydrophobicContact SD-CG1 4.09Å; F442-I466 HydrophobicContact CE1-CD1 4Å; F442-I466 HydrophobicContact CE1-CG1 3.85Å; F442-I466 HydrophobicContact CZ-CD1 3.68Å; F442-I466 HydrophobicContact CZ-CG1 4.02Å; C462-I466 PolarHBondContact O-N 3.4Å; I466-L469 WeakPolarHBondContact O-CB 3.39Å; I466-L469 PolarHBondContact O-N 2.86Å; I466-I470 HydrophobicContact CG2-CD1 3.76Å; I466-I470 WeakPolarHBondContact O-CG1 3.34Å; I466-I470 PolarHBondContact O-N 3.31Å; I466-K567 HydrophobicContact CD1-CB 4.15Å; I466-K567 HydrophobicContact CD1-CG 4.27Å; I466-V570 HydrophobicContact CD1-CB 4.4Å; I466-V570 HydrophobicContact CD1-CG1 4.11Å; I466-V570 HydrophobicContact CG2-CG1 4.42Å; I466-A571 HydrophobicContact CG2-CB 3.88Å
467	Q	69.8	Low	71.9	Confident	20 Å²	20	51.6 Å²	51.6	9%	0.093	24%	0.239	C	C	.	.	H	α-helix	trans	-71.2	-40	179.7	-71.8	172	-23.6	0	0	112.7	I463 R464 Q465 L469 I470 I471 I547 A574	I463-Q467 VanDerWaalsContact O-CG 3.26Å; I463-Q467 WeakPolarHBondContact O-CG 3.48Å; I463-Q467 PolarHBondContact O-N 3.33Å; I463-Q467 VanDerWaalsContact O-N 3.16Å; R464-Q467 PolarHBondContact O-N 3.25Å; Q465-Q467 VanDerWaalsContact C-N 3.26Å; Q465-Q467 PolarHBondContact O-N 3.08Å; Q467-L469 PolarHBondContact O-N 3.4Å; Q467-I470 PolarHBondContact O-N 3.11Å; Q467-I471 VanDerWaalsContact O-CB 3.32Å; Q467-I471 WeakPolarHBondContact O-CB 3.38Å; Q467-I471 WeakPolarHBondContact O-CD1 3.29Å; Q467-I471 WeakPolarHBondContact O-CG1 3.44Å; Q467-I471 PolarHBondContact O-N 3.5Å; Q467-I547 VanDerWaalsContact CD-CD1 3.48Å; Q467-A574 HydrophobicContact CG-CB 4.1Å
468	E	71.1	Confident	71.7	Confident	106 Å²	106	41.8 Å²	41.8	50%	0.495	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-39.4	172.9	-76.3	172.9	-175.2	0	0	111.1	R464 Q465 S472	R464-E468 WeakPolarHBondContact O-CG 3.32Å; R464-E468 PolarHBondContact O-N 3.21Å; Q465-E468 PolarHBondContact O-N 3.1Å; E468-S472 WeakPolarHBondContact O-CB 3.5Å; E468-S472 PolarHBondContact O-N 3.39Å
469	L	76.9	Confident	71.2	Confident	39 Å²	39	39 Å²	39	20%	0.204	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-51.3	173.9	179.7	67.4	0	0	0	112.2	D436 M440 Q465 I466 Q467 I471 S472 R473	D436-L469 HydrophobicContact CB-CD2 4.32Å; M440-L469 HydrophobicContact CB-CD2 4.49Å; M440-L469 HydrophobicContact CE-CB 4.29Å; M440-L469 HydrophobicContact CE-CD2 4.5Å; M440-L469 HydrophobicContact CG-CD2 4.4Å; M440-L469 HydrophobicContact SD-CB 4.33Å; M440-L469 HydrophobicContact SD-CD2 3.84Å; Q465-L469 PolarHBondContact O-N 3.31Å; I466-L469 WeakPolarHBondContact O-CB 3.39Å; I466-L469 PolarHBondContact O-N 2.86Å; Q467-L469 PolarHBondContact O-N 3.4Å; L469-I471 PolarHBondContact O-N 3.26Å; L469-S472 PolarHBondContact O-N 3.05Å; L469-R473 HydrophobicContact CD1-CG 4.46Å; L469-R473 PolarHBondContact O-N 3.48Å
470	I	73.6	Confident	70.8	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-46	-179.4	-68.3	163.8	0	0	0	111	L433 I466 Q467 L474 A571 A574 I575 L578	L433-I470 HydrophobicContact CD1-CG2 4.42Å; I466-I470 HydrophobicContact CG2-CD1 3.76Å; I466-I470 WeakPolarHBondContact O-CG1 3.34Å; I466-I470 PolarHBondContact O-N 3.31Å; Q467-I470 PolarHBondContact O-N 3.11Å; I470-L474 VanDerWaalsContact O-CB 3.24Å; I470-L474 WeakPolarHBondContact O-CB 3.48Å; I470-L474 PolarHBondContact O-N 3.2Å; I470-A571 HydrophobicContact CD1-CB 3.86Å; I470-A574 HydrophobicContact CD1-CB 4.03Å; I470-I575 HydrophobicContact CD1-CG1 4.25Å; I470-I575 HydrophobicContact CG2-CG1 4.09Å; I470-L578 HydrophobicContact CG2-CD1 4.11Å
471	I	69.5	Low	70.4	Confident	28 Å²	28	42.1 Å²	42.1	14%	0.144	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-43	179.4	-68.8	168.4	0	0	0	110.6	Q467 L469 L474 N475 F533 L543	Q467-I471 VanDerWaalsContact O-CB 3.32Å; Q467-I471 WeakPolarHBondContact O-CB 3.38Å; Q467-I471 WeakPolarHBondContact O-CD1 3.29Å; Q467-I471 WeakPolarHBondContact O-CG1 3.44Å; Q467-I471 PolarHBondContact O-N 3.5Å; L469-I471 PolarHBondContact O-N 3.26Å; I471-L474 PolarHBondContact O-N 2.75Å; I471-N475 VanDerWaalsContact O-CB 3.31Å; I471-N475 WeakPolarHBondContact O-CB 3.31Å; I471-N475 PolarHBondContact O-N 3.4Å; I471-N475 PolarHBondContact O-ND2 2.97Å; I471-F533 HydrophobicContact CG2-CB 4.21Å; I471-F533 HydrophobicContact CG2-CD2 3.27Å; I471-F533 HydrophobicContact CG2-CE2 3.9Å; I471-F533 HydrophobicContact CG2-CG 4.05Å; I471-L543 HydrophobicContact CD1-CD1 3.86Å
472	S	68.5	Low	69.6	Low	69 Å²	69	42.4 Å²	42.4	48%	0.483	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-47.4	178.9	-176	0	0	0	0	112.1	E468 L469 N475 Q476	E468-S472 WeakPolarHBondContact O-CB 3.5Å; E468-S472 PolarHBondContact O-N 3.39Å; L469-S472 PolarHBondContact O-N 3.05Å; S472-N475 WeakPolarHBondContact O-CB 3.48Å; S472-N475 PolarHBondContact O-N 3.38Å; S472-Q476 PolarHBondContact O-N 3.31Å; S472-Q476 VanDerWaalsContact O-N 3.11Å
473	R	72.1	Confident	68.8	Low	79 Å²	79	45.1 Å²	45.1	30%	0.298	22%	0.223	S	C	.	.	H	α-helix	trans	-67.2	-40.9	178.2	-73.5	-65.7	-169.4	90.4	15	112.6	M429 E432 L433 D436 L469 N475 Q476 A477	M429-R473 HydrophobicContact CE-CB 4.21Å; E432-R473 IonicContact OE1-NH1 3.59Å; L433-R473 HydrophobicContact CD2-CB 3.6Å; L433-R473 HydrophobicContact CD2-CG 4.04Å; D436-R473 IonicContact OD2-CZ 2.71Å; D436-R473 IonicContact OD2-NH1 2.76Å; D436-R473 PolarHBondContact OD2-NH1 2.98Å; D436-R473 IonicContact OD2-NH2 3.94Å; D436-R473 PolarHBondContact OD2-NH2 3.38Å; L469-R473 HydrophobicContact CD1-CG 4.46Å; L469-R473 PolarHBondContact O-N 3.48Å; R473-N475 VanDerWaalsContact C-N 3.33Å; R473-N475 PolarHBondContact O-N 3.15Å; R473-Q476 PolarHBondContact O-N 2.82Å; R473-A477 PolarHBondContact O-N 2.98Å; R473-A477 VanDerWaalsContact O-N 3.07Å
474	L	70.2	Confident	68.1	Low	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-42.9	175.6	-176.6	65.5	0	0	0	111.4	L426 I470 I471 Q476 A477 V478 L578 L583	L426-L474 HydrophobicContact CD2-CD1 3.6Å; L426-L474 HydrophobicContact CD2-CD2 3.91Å; L426-L474 HydrophobicContact CD2-CG 4.34Å; L426-L474 HydrophobicContact CG-CD1 3.79Å; L426-L474 HydrophobicContact CG-CD2 4.45Å; I470-L474 VanDerWaalsContact O-CB 3.24Å; I470-L474 WeakPolarHBondContact O-CB 3.48Å; I470-L474 PolarHBondContact O-N 3.2Å; I471-L474 PolarHBondContact O-N 2.75Å; L474-Q476 VanDerWaalsContact C-N 3.35Å; L474-Q476 PolarHBondContact O-N 2.93Å; L474-A477 PolarHBondContact O-N 2.68Å; L474-V478 HydrophobicContact CD1-CG2 4.1Å; L474-V478 HydrophobicContact CG-CG2 4.31Å; L474-V478 WeakPolarHBondContact O-CB 3.2Å; L474-V478 VanDerWaalsContact O-CG2 3.25Å; L474-V478 WeakPolarHBondContact O-CG2 3.33Å; L474-V478 PolarHBondContact O-N 2.81Å; L474-L578 HydrophobicContact CD2-CD1 4.37Å; L474-L583 HydrophobicContact CD2-CD1 4.45Å; L474-L583 HydrophobicContact CD2-CD2 3.69Å; L474-L583 HydrophobicContact CG-CD2 4.4Å
475	N	64.8	Low	67.3	Low	24 Å²	24	46.2 Å²	46.2	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-46.1	176	-81.7	-21.7	0	0	0	112.3	I471 S472 R473 A479 V531 F533	I471-N475 VanDerWaalsContact O-CB 3.31Å; I471-N475 WeakPolarHBondContact O-CB 3.31Å; I471-N475 PolarHBondContact O-N 3.4Å; I471-N475 PolarHBondContact O-ND2 2.97Å; S472-N475 WeakPolarHBondContact O-CB 3.48Å; S472-N475 PolarHBondContact O-N 3.38Å; R473-N475 VanDerWaalsContact C-N 3.33Å; R473-N475 PolarHBondContact O-N 3.15Å; N475-A479 WeakPolarHBondContact O-CB 3.26Å; N475-A479 PolarHBondContact O-N 2.85Å; N475-V531 VanDerWaalsContact CG-O 3.29Å; N475-V531 PolarHBondContact ND2-O 3.43Å; N475-F533 VanDerWaalsContact ND2-CD2 3.33Å; N475-F533 WeakPolarHBondContact ND2-CD2 3.39Å; N475-F533 WeakPolarHBondContact OD1-CE2 3.34Å
476	Q	67.4	Low	66.3	Low	114 Å²	114	45.9 Å²	45.9	53%	0.533	25%	0.25	S	S	.	.	H	α-helix	trans	-63.9	-43.1	-179.5	-167.4	175.3	10.2	0	0	111.6	S472 R473 L474 N480	S472-Q476 PolarHBondContact O-N 3.31Å; S472-Q476 VanDerWaalsContact O-N 3.11Å; R473-Q476 PolarHBondContact O-N 2.82Å; L474-Q476 VanDerWaalsContact C-N 3.35Å; L474-Q476 PolarHBondContact O-N 2.93Å; Q476-N480 WeakPolarHBondContact O-CB 3.42Å; Q476-N480 PolarHBondContact O-N 3.2Å; Q476-N480 VanDerWaalsContact O-N 3.07Å; Q476-N480 PolarHBondContact O-ND2 3.41Å
477	A	67.9	Low	65.4	Low	22 Å²	22	48 Å²	48	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-41.8	179.4	0	0	0	0	0	113.1	T425 M429 R473 L474 K481	T425-A477 HydrophobicContact CG2-CB 3.79Å; M429-A477 HydrophobicContact CE-CB 3.9Å; M429-A477 HydrophobicContact SD-CB 3.29Å; M429-A477 WeakPolarHBondContact SD-CB 3.49Å; R473-A477 PolarHBondContact O-N 2.98Å; R473-A477 VanDerWaalsContact O-N 3.07Å; L474-A477 PolarHBondContact O-N 2.68Å; A477-K481 PolarHBondContact O-N 3.04Å
478	V	64.5	Low	64.8	Low	2 Å²	2	55.9 Å²	55.9	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-41	177.8	171.7	0	0	0	0	111.1	M421 I422 L474 K481 L482 I587	M421-V478 HydrophobicContact CE-CG1 4.03Å; I422-V478 HydrophobicContact CG1-CG1 4.37Å; I422-V478 HydrophobicContact CG1-CG2 3.93Å; L474-V478 HydrophobicContact CD1-CG2 4.1Å; L474-V478 HydrophobicContact CG-CG2 4.31Å; L474-V478 WeakPolarHBondContact O-CB 3.2Å; L474-V478 VanDerWaalsContact O-CG2 3.25Å; L474-V478 WeakPolarHBondContact O-CG2 3.33Å; L474-V478 PolarHBondContact O-N 2.81Å; V478-K481 PolarHBondContact O-N 3.09Å; V478-L482 HydrophobicContact CG1-CD1 3.92Å; V478-L482 WeakPolarHBondContact O-CG 3.21Å; V478-L482 PolarHBondContact O-N 3.32Å; V478-L482 VanDerWaalsContact O-N 3.15Å; V478-I587 HydrophobicContact CG1-CD1 4.2Å
479	A	62.1	Low	64.1	Low	18 Å²	18	52.2 Å²	52.2	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175.4	0	0	0	0	0	111.8	N475 K481 L482 I483	N475-A479 WeakPolarHBondContact O-CB 3.26Å; N475-A479 PolarHBondContact O-N 2.85Å; A479-K481 VanDerWaalsContact C-N 3.35Å; A479-K481 PolarHBondContact O-N 3.15Å; A479-L482 PolarHBondContact O-N 3.45Å; A479-I483 VanDerWaalsContact O-CG1 3.26Å; A479-I483 WeakPolarHBondContact O-CG1 3.46Å; A479-I483 PolarHBondContact O-N 2.92Å; A479-I483 VanDerWaalsContact O-N 3.1Å
480	N	64.6	Low	63.2	Low	101 Å²	101	54.4 Å²	54.4	54%	0.54	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-39.5	179.1	-74.5	-17	0	0	0	113.3	Q476	Q476-N480 WeakPolarHBondContact O-CB 3.42Å; Q476-N480 PolarHBondContact O-N 3.2Å; Q476-N480 VanDerWaalsContact O-N 3.07Å; Q476-N480 PolarHBondContact O-ND2 3.41Å
481	K	62.4	Low	62.6	Low	82 Å²	82	61.5 Å²	61.5	36%	0.357	31%	0.314	S	S	.	.	H	α-helix	trans	-69.8	-36.3	175.9	-77.4	-173.4	174.6	179.9	0	112.7	M421 T425 A477 V478 A479 S484	M421-K481 HydrophobicContact CG-CD 3.87Å; M421-K481 HydrophobicContact SD-CB 3.62Å; M421-K481 HydrophobicContact SD-CD 3.93Å; M421-K481 HydrophobicContact SD-CG 4.43Å; T425-K481 PolarHBondContact OG1-NZ 3.34Å; T425-K481 VanDerWaalsContact OG1-NZ 3.1Å; A477-K481 PolarHBondContact O-N 3.04Å; V478-K481 PolarHBondContact O-N 3.09Å; A479-K481 VanDerWaalsContact C-N 3.35Å; A479-K481 PolarHBondContact O-N 3.15Å; K481-S484 PolarHBondContact O-OG 3.19Å
482	L	58.7	Low	62.2	Low	30 Å²	30	63.9 Å²	63.9	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-37.1	177.8	-78.2	164	0	0	0	113.1	M418 M421 V478 A479 S484 S485 V486	M418-L482 HydrophobicContact CE-CD2 3.89Å; M418-L482 HydrophobicContact CG-CD2 4.14Å; M418-L482 HydrophobicContact SD-CD2 3.97Å; M421-L482 HydrophobicContact CE-CD2 4.45Å; M421-L482 HydrophobicContact CE-CG 4.19Å; V478-L482 HydrophobicContact CG1-CD1 3.92Å; V478-L482 WeakPolarHBondContact O-CG 3.21Å; V478-L482 PolarHBondContact O-N 3.32Å; V478-L482 VanDerWaalsContact O-N 3.15Å; A479-L482 PolarHBondContact O-N 3.45Å; L482-S484 VanDerWaalsContact C-N 3.27Å; L482-S484 PolarHBondContact O-N 3.36Å; L482-S485 PolarHBondContact O-N 2.85Å; L482-V486 PolarHBondContact O-N 2.95Å
483	I	58.9	Low	61.9	Low	57 Å²	57	62.3 Å²	62.3	29%	0.292	32%	0.318	S	S	.	.	H	α-helix	trans	-55.5	-41.5	-179	-71.8	164.6	0	0	0	111.6	A479 S485 V486 D487	A479-I483 VanDerWaalsContact O-CG1 3.26Å; A479-I483 WeakPolarHBondContact O-CG1 3.46Å; A479-I483 PolarHBondContact O-N 2.92Å; A479-I483 VanDerWaalsContact O-N 3.1Å; I483-S485 VanDerWaalsContact C-N 3.3Å; I483-S485 PolarHBondContact O-N 3.19Å; I483-V486 PolarHBondContact O-N 3.34Å; I483-D487 VanDerWaalsContact O-CG 3.24Å; I483-D487 PolarHBondContact O-N 2.92Å
484	S	59	Low	61.6	Low	79 Å²	79	59.3 Å²	59.3	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-60.4	-31.9	-177.9	69.5	0	0	0	0	115	K481 L482	K481-S484 PolarHBondContact O-OG 3.19Å; L482-S484 VanDerWaalsContact C-N 3.27Å; L482-S484 PolarHBondContact O-N 3.36Å
485	S	55.8	Low	61.5	Low	76 Å²	76	60.5 Å²	60.5	53%	0.531	32%	0.32	S	S	.	.	H	α-helix	trans	-85.2	-26.1	-179.5	-63.6	0	0	0	0	112.8	L482 I483	L482-S485 PolarHBondContact O-N 2.85Å; I483-S485 VanDerWaalsContact C-N 3.3Å; I483-S485 PolarHBondContact O-N 3.19Å
486	V	57.5	Low	61.6	Low	14 Å²	14	61.2 Å²	61.2	9%	0.085	33%	0.326	C	S	.	.	H	α-helix	trans	-80.9	-31.5	177.1	175.7	0	0	0	0	111.1	L482 I483 Y488 L489 R490 A526 Y527	L482-V486 PolarHBondContact O-N 2.95Å; I483-V486 PolarHBondContact O-N 3.34Å; V486-Y488 VanDerWaalsContact C-N 3.28Å; V486-Y488 PolarHBondContact O-N 3.42Å; V486-L489 PolarHBondContact O-N 2.94Å; V486-L489 VanDerWaalsContact O-N 3.12Å; V486-R490 PolarHBondContact O-N 3.06Å; V486-R490 VanDerWaalsContact O-N 3.17Å; V486-A526 HydrophobicContact CG1-CB 3.96Å; V486-Y527 HydrophobicContact CG1-CE1 4.48Å
487	D	58.2	Low	61.8	Low	43 Å²	43	56 Å²	56	23%	0.23	30%	0.301	C	S	.	.	H	α-helix	trans	-58	-34.9	176.8	-78	-20.9	0	0	0	113.4	I483 L489 R490 Y527	I483-D487 VanDerWaalsContact O-CG 3.24Å; I483-D487 PolarHBondContact O-N 2.92Å; D487-L489 PolarHBondContact O-N 3.32Å; D487-R490 WeakPolarHBondContact O-CB 3.41Å; D487-R490 PolarHBondContact O-N 3.34Å; D487-R490 IonicContact OD1-CZ 3.03Å; D487-R490 IonicContact OD1-NH1 2.79Å; D487-R490 PolarHBondContact OD1-NH1 3.49Å; D487-R490 IonicContact OD1-NH2 2.78Å; D487-R490 PolarHBondContact OD1-NH2 3.46Å; D487-R490 IonicContact OD2-NH2 3.34Å; D487-Y527 WeakPolarHBondContact OD1-CE1 3.39Å
488	Y	57.1	Low	61.9	Low	187 Å²	187	57.9 Å²	57.9	73%	0.733	31%	0.306	S	S	*	.	H	α-helix	trans	-66.3	-35.5	176.5	-179	-100	0	0	0	113	V486 R490	V486-Y488 VanDerWaalsContact C-N 3.28Å; V486-Y488 PolarHBondContact O-N 3.42Å; Y488-R490 VanDerWaalsContact C-N 3.35Å
489	L	56.4	Low	62.3	Low	28 Å²	28	65.4 Å²	65.4	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-75.8	-26.2	176.9	-66.1	157.6	0	0	0	112	L407 I410 V486 D487 F493	L407-L489 HydrophobicContact CD2-CD1 3.95Å; I410-L489 HydrophobicContact CD1-CD1 3.09Å; I410-L489 HydrophobicContact CD1-CG 4.37Å; V486-L489 PolarHBondContact O-N 2.94Å; V486-L489 VanDerWaalsContact O-N 3.12Å; D487-L489 PolarHBondContact O-N 3.32Å; L489-F493 HydrophobicContact CD2-CE2 4.49Å; L489-F493 PolarHBondContact O-N 3.03Å
490	R	58	Low	62.6	Low	85 Å²	85	65.8 Å²	65.8	32%	0.321	34%	0.336	S	S	.	.	H	α-helix	trans	-52	-58.5	172.1	-168.8	174.3	42.7	-133.6	-1.3	111.3	V486 D487 Y488 S492 F493 V494 Y527	V486-R490 PolarHBondContact O-N 3.06Å; V486-R490 VanDerWaalsContact O-N 3.17Å; D487-R490 WeakPolarHBondContact O-CB 3.41Å; D487-R490 PolarHBondContact O-N 3.34Å; D487-R490 IonicContact OD1-CZ 3.03Å; D487-R490 IonicContact OD1-NH1 2.79Å; D487-R490 PolarHBondContact OD1-NH1 3.49Å; D487-R490 IonicContact OD1-NH2 2.78Å; D487-R490 PolarHBondContact OD1-NH2 3.46Å; D487-R490 IonicContact OD2-NH2 3.34Å; Y488-R490 VanDerWaalsContact C-N 3.35Å; R490-S492 VanDerWaalsContact C-N 3.25Å; R490-S492 PolarHBondContact O-N 2.8Å; R490-F493 PolarHBondContact O-N 3.39Å; R490-V494 HydrophobicContact CG-CG2 3.98Å; R490-V494 VanDerWaalsContact O-CB 3.29Å; R490-V494 WeakPolarHBondContact O-CB 3.45Å; R490-V494 WeakPolarHBondContact O-CG2 3.47Å; R490-V494 PolarHBondContact O-N 3.03Å; R490-Y527 WeakPolarHBondContact CB-OH 3.31Å; R490-Y527 VanDerWaalsContact CD-CZ 3.45Å; R490-Y527 WeakPolarHBondContact CD-OH 3.49Å; R490-Y527 HydrophobicContact CG-CE2 4.47Å; R490-Y527 WeakPolarHBondContact CG-OH 3.44Å
491	E	61.6	Low	63	Low	153 Å²	153	61 Å²	61	72%	0.715	31%	0.31	S	S	*	.	H	α-helix	trans	-69.8	-29.3	-164.6	-67.7	-173.9	171.1	0	0	111.4
492	S	61.1	Low	63.5	Low	77 Å²	77	61.8 Å²	61.8	54%	0.538	32%	0.315	S	S	.	.	H	α-helix	trans	-75.5	-37.5	179.2	-177.5	0	0	0	0	113.9	R490	R490-S492 VanDerWaalsContact C-N 3.25Å; R490-S492 PolarHBondContact O-N 2.8Å
493	F	61.7	Low	64.2	Low	37 Å²	37	62.5 Å²	62.5	16%	0.162	32%	0.323	C	S	.	.	H	α-helix	trans	-107.9	-36.5	-168.3	-72.1	-89.3	0	0	0	114.3	E402 L403 L489 R490 T496 L497	E402-F493 HydrophobicContact CB-CE1 4.43Å; L403-F493 HydrophobicContact CB-CD1 4.47Å; L403-F493 HydrophobicContact CD1-CB 4.09Å; L403-F493 HydrophobicContact CD1-CD2 4.27Å; L403-F493 HydrophobicContact CD1-CG 4.15Å; L403-F493 HydrophobicContact CD2-CB 4.47Å; L489-F493 HydrophobicContact CD2-CE2 4.49Å; L489-F493 PolarHBondContact O-N 3.03Å; R490-F493 PolarHBondContact O-N 3.39Å; F493-T496 PolarHBondContact O-N 3.5Å; F493-L497 HydrophobicContact CB-CD1 4.44Å; F493-L497 PolarHBondContact O-N 3.43Å; F493-L497 VanDerWaalsContact O-N 3.15Å
494	V	66.3	Low	64.8	Low	16 Å²	16	59.9 Å²	59.9	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-65.7	-49.4	-170.2	177.3	0	0	0	0	112.2	R490 T496 L497 E498 L523	R490-V494 HydrophobicContact CG-CG2 3.98Å; R490-V494 VanDerWaalsContact O-CB 3.29Å; R490-V494 WeakPolarHBondContact O-CB 3.45Å; R490-V494 WeakPolarHBondContact O-CG2 3.47Å; R490-V494 PolarHBondContact O-N 3.03Å; V494-T496 PolarHBondContact O-N 3.05Å; V494-T496 VanDerWaalsContact O-N 3.12Å; V494-L497 PolarHBondContact O-N 3.33Å; V494-E498 HydrophobicContact CG1-CG 3.92Å; V494-E498 WeakPolarHBondContact O-CB 3.49Å; V494-E498 WeakPolarHBondContact O-CG 3.49Å; V494-E498 PolarHBondContact O-N 3.27Å; V494-L523 HydrophobicContact CB-CD1 4.17Å; V494-L523 HydrophobicContact CG1-CD1 3.67Å; V494-L523 HydrophobicContact CG2-CD1 3.41Å; V494-L523 VanDerWaalsContact CG2-CD1 3.41Å; V494-L523 HydrophobicContact CG2-CD2 3.31Å; V494-L523 HydrophobicContact CG2-CG 3.99Å
495	G	66.8	Low	65.3	Low	26 Å²	26	56.6 Å²	56.6	27%	0.268	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-28.1	-177.2	0	0	0	0	0	113.5	R499	G495-R499 WeakPolarHBondContact O-CB 3.22Å; G495-R499 WeakPolarHBondContact O-CG 3.46Å; G495-R499 PolarHBondContact O-N 3.31Å; G495-R499 PolarHBondContact O-NE 3.06Å; G495-R499 PolarHBondContact O-NH2 2.83Å
496	T	68.3	Low	65.8	Low	39 Å²	39	61.6 Å²	61.6	24%	0.239	30%	0.297	C	S	.	.	H	α-helix	trans	-79.6	-45.2	177.7	-59.9	0	0	0	0	111.5	Y395 F493 V494 R499 C500	Y395-T496 HydrophobicContact CE1-CG2 4.12Å; F493-T496 PolarHBondContact O-N 3.5Å; V494-T496 PolarHBondContact O-N 3.05Å; V494-T496 VanDerWaalsContact O-N 3.12Å; T496-R499 PolarHBondContact O-N 3.17Å; T496-C500 PolarHBondContact O-N 3.18Å; T496-C500 VanDerWaalsContact O-N 3.07Å; T496-C500 PolarHBondContact O-SG 3.37Å; T496-C500 VanDerWaalsContact O-SG 3.37Å
497	L	70.2	Confident	65.8	Low	3 Å²	3	63.6 Å²	63.6	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-43.3	176.9	-86.7	149.4	0	0	0	111.9	T396 K399 E400 L403 F493 V494 R499 C500 L501 L519	T396-L497 HydrophobicContact CG2-CD2 4.04Å; K399-L497 HydrophobicContact CB-CD1 4.38Å; K399-L497 HydrophobicContact CB-CD2 4.18Å; K399-L497 HydrophobicContact CB-CG 4.2Å; E400-L497 HydrophobicContact CB-CD2 4.16Å; L403-L497 HydrophobicContact CD2-CD1 4.31Å; F493-L497 HydrophobicContact CB-CD1 4.44Å; F493-L497 PolarHBondContact O-N 3.43Å; F493-L497 VanDerWaalsContact O-N 3.15Å; V494-L497 PolarHBondContact O-N 3.33Å; L497-R499 PolarHBondContact O-N 3.22Å; L497-C500 PolarHBondContact O-N 3.28Å; L497-L501 WeakPolarHBondContact O-CB 3.47Å; L497-L501 WeakPolarHBondContact O-CG 3.5Å; L497-L501 PolarHBondContact O-N 3.04Å; L497-L519 HydrophobicContact CB-CD1 4.31Å; L497-L519 HydrophobicContact CB-CD2 3.66Å; L497-L519 HydrophobicContact CD1-CD1 4.19Å
498	E	70.9	Confident	65.7	Low	62 Å²	62	64.9 Å²	64.9	29%	0.29	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-44.4	176.4	-74.8	-174.8	152.3	0	0	111.9	V494 C500 L501 Q502 L519	V494-E498 HydrophobicContact CG1-CG 3.92Å; V494-E498 WeakPolarHBondContact O-CB 3.49Å; V494-E498 WeakPolarHBondContact O-CG 3.49Å; V494-E498 PolarHBondContact O-N 3.27Å; E498-C500 VanDerWaalsContact C-N 3.34Å; E498-C500 PolarHBondContact O-N 2.9Å; E498-L501 PolarHBondContact O-N 3.02Å; E498-Q502 VanDerWaalsContact O-CB 3.27Å; E498-Q502 WeakPolarHBondContact O-CB 3.31Å; E498-Q502 WeakPolarHBondContact O-CG 3.43Å; E498-Q502 PolarHBondContact O-N 3.32Å; E498-L519 HydrophobicContact CG-CD2 3.95Å
499	R	73.3	Confident	65.1	Low	161 Å²	161	63.2 Å²	63.2	61%	0.608	32%	0.32	S	S	*	.	H	α-helix	trans	-62.8	-40.3	176.2	-80.9	-176.2	-95.6	112.8	-3.3	112.3	G495 T496 L497 S503	G495-R499 WeakPolarHBondContact O-CB 3.22Å; G495-R499 WeakPolarHBondContact O-CG 3.46Å; G495-R499 PolarHBondContact O-N 3.31Å; G495-R499 PolarHBondContact O-NE 3.06Å; G495-R499 PolarHBondContact O-NH2 2.83Å; T496-R499 PolarHBondContact O-N 3.17Å; L497-R499 PolarHBondContact O-N 3.22Å; R499-S503 WeakPolarHBondContact O-CB 3.23Å; R499-S503 PolarHBondContact O-N 3.41Å
500	C	68.4	Low	64.6	Low	26 Å²	26	67.9 Å²	67.9	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-64.7	-48	176.1	-74.6	0	0	0	0	111.8	T496 L497 E498 S503 L504	T496-C500 PolarHBondContact O-N 3.18Å; T496-C500 VanDerWaalsContact O-N 3.07Å; T496-C500 PolarHBondContact O-SG 3.37Å; T496-C500 VanDerWaalsContact O-SG 3.37Å; L497-C500 PolarHBondContact O-N 3.28Å; E498-C500 VanDerWaalsContact C-N 3.34Å; E498-C500 PolarHBondContact O-N 2.9Å; C500-S503 PolarHBondContact O-N 3.1Å; C500-L504 WeakPolarHBondContact O-CG 3.22Å; C500-L504 PolarHBondContact O-N 3.32Å; C500-L504 VanDerWaalsContact O-N 3.12Å
501	L	72.1	Confident	64.1	Low	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-45.5	179.8	-72.1	172.2	0	0	0	112.1	T396 L497 E498 S503 L504 E505 T515 L519 F602	T396-L501 HydrophobicContact CG2-CD2 3.79Å; T396-L501 HydrophobicContact CG2-CG 4.23Å; L497-L501 WeakPolarHBondContact O-CB 3.47Å; L497-L501 WeakPolarHBondContact O-CG 3.5Å; L497-L501 PolarHBondContact O-N 3.04Å; E498-L501 PolarHBondContact O-N 3.02Å; L501-S503 PolarHBondContact O-N 3.23Å; L501-L504 PolarHBondContact O-N 3.25Å; L501-E505 WeakPolarHBondContact O-CB 3.49Å; L501-E505 WeakPolarHBondContact O-CG 3.42Å; L501-E505 PolarHBondContact O-N 3.4Å; L501-T515 HydrophobicContact CD1-CG2 4.3Å; L501-T515 HydrophobicContact CD2-CG2 3.46Å; L501-T515 VanDerWaalsContact CD2-CG2 3.46Å; L501-L519 HydrophobicContact CD1-CB 4.04Å; L501-L519 HydrophobicContact CD1-CD2 3.78Å; L501-L519 HydrophobicContact CD1-CG 4.47Å; L501-F602 HydrophobicContact CD1-CE2 4.1Å
502	Q	72.9	Confident	63.8	Low	98 Å²	98	63 Å²	63	46%	0.458	34%	0.344	S	S	.	.	H	α-helix	trans	-56.7	-37.6	174.5	-75.6	173.6	6.5	0	0	112.1	E498 K506	E498-Q502 VanDerWaalsContact O-CB 3.27Å; E498-Q502 WeakPolarHBondContact O-CB 3.31Å; E498-Q502 WeakPolarHBondContact O-CG 3.43Å; E498-Q502 PolarHBondContact O-N 3.32Å; Q502-K506 VanDerWaalsContact O-CB 3.29Å; Q502-K506 WeakPolarHBondContact O-CB 3.46Å; Q502-K506 VanDerWaalsContact O-CG 3.26Å; Q502-K506 WeakPolarHBondContact O-CG 3.45Å; Q502-K506 PolarHBondContact O-N 2.96Å
503	S	72.9	Confident	63.6	Low	45 Å²	45	65.4 Å²	65.4	32%	0.315	35%	0.346	S	S	.	.	H	α-helix	trans	-72.3	-28.3	176.7	-175	0	0	0	0	113.5	R392 R499 C500 L501	R392-S503 PolarHBondContact NH1-OG 3.09Å; R499-S503 WeakPolarHBondContact O-CB 3.23Å; R499-S503 PolarHBondContact O-N 3.41Å; C500-S503 PolarHBondContact O-N 3.1Å; L501-S503 PolarHBondContact O-N 3.23Å
504	L	71.6	Confident	63.7	Low	2 Å²	2	66.4 Å²	66.4	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-78.9	-46.4	176.2	-71	166.4	0	0	0	110.3	T389 R392 L393 C500 L501 K506 S507 L609	T389-L504 HydrophobicContact CG2-CD2 4.26Å; R392-L504 HydrophobicContact CB-CD1 4.44Å; R392-L504 HydrophobicContact CB-CD2 3.96Å; R392-L504 HydrophobicContact CB-CG 4.43Å; L393-L504 HydrophobicContact CD2-CD1 3.92Å; L393-L504 HydrophobicContact CD2-CD2 4.25Å; L393-L504 HydrophobicContact CG-CD1 4.43Å; L393-L504 HydrophobicContact CG-CD2 4.21Å; C500-L504 WeakPolarHBondContact O-CG 3.22Å; C500-L504 PolarHBondContact O-N 3.32Å; C500-L504 VanDerWaalsContact O-N 3.12Å; L501-L504 PolarHBondContact O-N 3.25Å; L504-K506 PolarHBondContact O-N 3.33Å; L504-S507 PolarHBondContact O-N 2.99Å; L504-S507 PolarHBondContact O-OG 3.31Å; L504-L609 HydrophobicContact CB-CD2 4.21Å
505	E	70.8	Confident	63.5	Low	10 Å²	10	65.7 Å²	65.7	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-66.8	-33.5	-179.1	-67.1	178.8	170	0	0	112.7	L501 S507 Q508 V512 H513 T515 S516	L501-E505 WeakPolarHBondContact O-CB 3.49Å; L501-E505 WeakPolarHBondContact O-CG 3.42Å; L501-E505 PolarHBondContact O-N 3.4Å; E505-S507 PolarHBondContact O-N 2.76Å; E505-Q508 PolarHBondContact O-N 3.33Å; E505-V512 VanDerWaalsContact CG-O 3.24Å; E505-V512 WeakPolarHBondContact CG-O 3.35Å; E505-H513 IonicContact OE2-CE1 2.55Å; E505-H513 IonicContact OE2-CG 3.8Å; E505-H513 IonicContact OE2-ND1 2.8Å; E505-H513 PolarHBondContact OE2-ND1 3.45Å; E505-T515 WeakPolarHBondContact OE1-CB 3.36Å; E505-T515 PolarHBondContact OE1-N 3.18Å; E505-S516 PolarHBondContact OE1-N 3.26Å; E505-S516 PolarHBondContact OE1-OG 3.06Å; E505-S516 VanDerWaalsContact OE1-OG 3.07Å; E505-S516 WeakPolarHBondContact OE2-CB 3.37Å; E505-S516 PolarHBondContact OE2-OG 2.91Å
506	K	66.1	Low	63.4	Low	182 Å²	182	65.1 Å²	65.1	79%	0.791	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.5	175	-89.5	-178.1	179.6	-176.1	0	114.7	Q502 L504	Q502-K506 VanDerWaalsContact O-CB 3.29Å; Q502-K506 WeakPolarHBondContact O-CB 3.46Å; Q502-K506 VanDerWaalsContact O-CG 3.26Å; Q502-K506 WeakPolarHBondContact O-CG 3.45Å; Q502-K506 PolarHBondContact O-N 2.96Å; L504-K506 PolarHBondContact O-N 3.33Å
507	S	57.9	Low	63.3	Low	55 Å²	55	66.9 Å²	66.9	39%	0.385	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	1.7	-177.1	69.2	0	0	0	0	114.3	L504 E505 H613	L504-S507 PolarHBondContact O-N 2.99Å; L504-S507 PolarHBondContact O-OG 3.31Å; E505-S507 PolarHBondContact O-N 2.76Å; S507-H613 PolarHBondContact OG-CE1 3.24Å
508	Q	55.3	Low	63.1	Low	70 Å²	70	70.1 Å²	70.1	33%	0.327	36%	0.361	S	S	.	.	S	Bend	trans	-120.2	123.9	167.8	-90.9	-176.1	-19.7	0	0	109.5	E505 V510	E505-Q508 PolarHBondContact O-N 3.33Å; Q508-V510 PolarHBondContact O-N 3.48Å
509	D	45	Very low	62.8	Low	153 Å²	153	67.2 Å²	67.2	82%	0.818	35%	0.347	S	S	*	.			trans	-74.9	127.6	177.4	-123	-20.7	0	0	0	110.5
510	V	45.5	Very low	62.5	Low	125 Å²	125	64.4 Å²	64.4	76%	0.758	34%	0.339	S	S	*	.	S	Bend	trans	58.5	78.3	162.7	-161.6	0	0	0	0	115.7	Q508	Q508-V510 PolarHBondContact O-N 3.48Å
511	S	48.2	Very low	62.3	Low	101 Å²	101	67.6 Å²	67.6	71%	0.706	35%	0.352	S	S	*	.	S	Bend	trans	166.6	-7.5	134.5	52.3	0	0	0	0	116.2
512	V	53.6	Low	61.8	Low	36 Å²	36	67.8 Å²	67.8	22%	0.218	35%	0.353	C	S	.	.			trans	-115.8	71.2	-166.1	-165.9	0	0	0	0	112.4	E505 I514	E505-V512 VanDerWaalsContact CG-O 3.24Å; E505-V512 WeakPolarHBondContact CG-O 3.35Å; V512-I514 HydrophobicContact CG1-CB 3.82Å; V512-I514 HydrophobicContact CG1-CD1 4.15Å; V512-I514 HydrophobicContact CG1-CG1 4.12Å; V512-I514 PolarHBondContact O-N 3Å
513	H	58.2	Low	61.1	Low	126 Å²	126	63.7 Å²	63.7	58%	0.583	33%	0.334	S	S	*	.			trans	-82.8	14.9	154.5	-78.1	-49.7	0	0	0	112.2	E505 T515 N517	E505-H513 IonicContact OE2-CE1 2.55Å; E505-H513 IonicContact OE2-CG 3.8Å; E505-H513 IonicContact OE2-ND1 2.8Å; E505-H513 PolarHBondContact OE2-ND1 3.45Å; H513-T515 PolarHBondContact O-N 2.89Å; H513-N517 WeakPolarHBondContact O-CB 3.48Å; H513-N517 PolarHBondContact O-N 3.32Å; H513-N517 PolarHBondContact O-ND2 3.27Å; H513-N517 VanDerWaalsContact O-ND2 3.14Å
514	I	62.4	Low	60.4	Low	59 Å²	59	65.6 Å²	65.6	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-42.9	-170.8	-66.1	175	0	0	0	110.3	V512 N517 Y518	V512-I514 HydrophobicContact CG1-CB 3.82Å; V512-I514 HydrophobicContact CG1-CD1 4.15Å; V512-I514 HydrophobicContact CG1-CG1 4.12Å; V512-I514 PolarHBondContact O-N 3Å; I514-N517 CarbonylContact O-C 3.53Å; I514-N517 WeakPolarHBondContact O-CB 3.31Å; I514-N517 PolarHBondContact O-N 3.28Å; I514-Y518 HydrophobicContact CG2-CD2 3.55Å; I514-Y518 HydrophobicContact CG2-CE2 3.11Å; I514-Y518 WeakPolarHBondContact O-CD2 3.33Å; I514-Y518 PolarHBondContact O-N 3.09Å
515	T	62.6	Low	59.7	Low	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-69.9	-43.3	-178.4	-47.5	0	0	0	0	111.9	L501 E505 H513 N517 Y518 L519 F602	L501-T515 HydrophobicContact CD1-CG2 4.3Å; L501-T515 HydrophobicContact CD2-CG2 3.46Å; L501-T515 VanDerWaalsContact CD2-CG2 3.46Å; E505-T515 WeakPolarHBondContact OE1-CB 3.36Å; E505-T515 PolarHBondContact OE1-N 3.18Å; H513-T515 PolarHBondContact O-N 2.89Å; T515-N517 PolarHBondContact O-N 3.16Å; T515-Y518 PolarHBondContact O-N 3.03Å; T515-L519 PolarHBondContact O-N 3.48Å; T515-F602 HydrophobicContact CG2-CD2 4.16Å; T515-F602 HydrophobicContact CG2-CE2 3.69Å; T515-F602 HydrophobicContact CG2-CZ 4.23Å
516	S	65.8	Low	58.7	Low	14 Å²	14	65.8 Å²	65.8	10%	0.098	34%	0.344	C	S	.	.	H	α-helix	trans	-57.8	-37.8	169.6	-66.9	0	0	0	0	112	E505 K520	E505-S516 PolarHBondContact OE1-N 3.26Å; E505-S516 PolarHBondContact OE1-OG 3.06Å; E505-S516 VanDerWaalsContact OE1-OG 3.07Å; E505-S516 WeakPolarHBondContact OE2-CB 3.37Å; E505-S516 PolarHBondContact OE2-OG 2.91Å; S516-K520 WeakPolarHBondContact O-CG 3.37Å; S516-K520 PolarHBondContact O-N 3.16Å
517	N	66.6	Low	57.8	Low	76 Å²	76	58.7 Å²	58.7	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-70.6	-35.9	176.2	-71.6	-23.9	0	0	0	112.6	H513 I514 T515 K520 Q521	H513-N517 WeakPolarHBondContact O-CB 3.48Å; H513-N517 PolarHBondContact O-N 3.32Å; H513-N517 PolarHBondContact O-ND2 3.27Å; H513-N517 VanDerWaalsContact O-ND2 3.14Å; I514-N517 CarbonylContact O-C 3.53Å; I514-N517 WeakPolarHBondContact O-CB 3.31Å; I514-N517 PolarHBondContact O-N 3.28Å; T515-N517 PolarHBondContact O-N 3.16Å; N517-K520 CarbonylContact O-C 3.52Å; N517-K520 WeakPolarHBondContact O-CB 3.24Å; N517-K520 PolarHBondContact O-N 2.93Å; N517-Q521 WeakPolarHBondContact O-CG 3.49Å; N517-Q521 PolarHBondContact O-N 3.05Å
518	Y	64.9	Low	57.3	Low	71 Å²	71	61.7 Å²	61.7	28%	0.278	32%	0.321	S	S	.	.	H	α-helix	trans	-71.1	-34.5	173.3	-74.1	-65.5	0	0	0	112.9	I514 T515 K520 Q521 I522 A601 S605	I514-Y518 HydrophobicContact CG2-CD2 3.55Å; I514-Y518 HydrophobicContact CG2-CE2 3.11Å; I514-Y518 WeakPolarHBondContact O-CD2 3.33Å; I514-Y518 PolarHBondContact O-N 3.09Å; T515-Y518 PolarHBondContact O-N 3.03Å; Y518-K520 VanDerWaalsContact C-N 3.3Å; Y518-K520 PolarHBondContact O-N 2.93Å; Y518-Q521 CarbonylContact O-C 3.59Å; Y518-Q521 WeakPolarHBondContact O-CA 3.23Å; Y518-Q521 WeakPolarHBondContact O-CB 3.41Å; Y518-Q521 PolarHBondContact O-N 3.42Å; Y518-I522 PolarHBondContact O-N 3.12Å; Y518-A601 HydrophobicContact CD1-CB 3.88Å; Y518-A601 HydrophobicContact CE1-CB 3.98Å; Y518-S605 WeakPolarHBondContact CD2-OG 3.35Å; Y518-S605 WeakPolarHBondContact CE2-OG 3.14Å
519	L	65.5	Low	57	Low	1 Å²	1	59.5 Å²	59.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-46.2	167.7	-178.8	69.7	0	0	0	110.1	L497 E498 L501 T515 Q521 I522 L523 F602	L497-L519 HydrophobicContact CB-CD1 4.31Å; L497-L519 HydrophobicContact CB-CD2 3.66Å; L497-L519 HydrophobicContact CD1-CD1 4.19Å; E498-L519 HydrophobicContact CG-CD2 3.95Å; L501-L519 HydrophobicContact CD1-CB 4.04Å; L501-L519 HydrophobicContact CD1-CD2 3.78Å; L501-L519 HydrophobicContact CD1-CG 4.47Å; T515-L519 PolarHBondContact O-N 3.48Å; L519-Q521 PolarHBondContact O-N 3.34Å; L519-I522 PolarHBondContact O-N 3.42Å; L519-L523 HydrophobicContact CD1-CD1 4.46Å; L519-L523 HydrophobicContact CG-CD1 3.96Å; L519-L523 VanDerWaalsContact O-CB 3.31Å; L519-L523 WeakPolarHBondContact O-CB 3.41Å; L519-L523 WeakPolarHBondContact O-CD1 3.09Å; L519-L523 WeakPolarHBondContact O-CG 3.49Å; L519-L523 PolarHBondContact O-N 2.88Å; L519-F602 HydrophobicContact CB-CD2 4.4Å; L519-F602 HydrophobicContact CB-CE2 4.18Å
520	K	66.1	Low	56.9	Low	102 Å²	102	58.5 Å²	58.5	44%	0.443	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-32	172.1	-70.5	173.4	-176.8	176.2	0	112.3	S516 N517 Y518 N524	S516-K520 WeakPolarHBondContact O-CG 3.37Å; S516-K520 PolarHBondContact O-N 3.16Å; N517-K520 CarbonylContact O-C 3.52Å; N517-K520 WeakPolarHBondContact O-CB 3.24Å; N517-K520 PolarHBondContact O-N 2.93Å; Y518-K520 VanDerWaalsContact C-N 3.3Å; Y518-K520 PolarHBondContact O-N 2.93Å; K520-N524 WeakPolarHBondContact O-CB 3.35Å; K520-N524 PolarHBondContact O-N 2.66Å; K520-N524 PolarHBondContact O-ND2 3.39Å; K520-N524 PolarHBondContact O-OD1 3.37Å
521	Q	64.3	Low	56.9	Low	94 Å²	94	52.8 Å²	52.8	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-73.8	-41.2	174.3	-72	178.9	9	0	0	113.4	N517 Y518 L519 L523 N524 A525	N517-Q521 WeakPolarHBondContact O-CG 3.49Å; N517-Q521 PolarHBondContact O-N 3.05Å; Y518-Q521 CarbonylContact O-C 3.59Å; Y518-Q521 WeakPolarHBondContact O-CA 3.23Å; Y518-Q521 WeakPolarHBondContact O-CB 3.41Å; Y518-Q521 PolarHBondContact O-N 3.42Å; L519-Q521 PolarHBondContact O-N 3.34Å; Q521-L523 PolarHBondContact O-N 3Å; Q521-N524 PolarHBondContact O-N 2.77Å; Q521-A525 VanDerWaalsContact O-CB 3.31Å; Q521-A525 WeakPolarHBondContact O-CB 3.33Å; Q521-A525 PolarHBondContact O-N 3.38Å
522	I	62.3	Low	56.8	Low	3 Å²	3	50 Å²	50	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-55.7	-45.9	170.2	-70.6	168.2	0	0	0	109.3	E400 Y518 L519 A525 A526 S598 F602	E400-I522 HydrophobicContact CG-CD1 4.12Å; E400-I522 WeakPolarHBondContact OE1-CD1 3.42Å; Y518-I522 PolarHBondContact O-N 3.12Å; L519-I522 PolarHBondContact O-N 3.42Å; I522-A525 PolarHBondContact O-N 3.47Å; I522-A526 PolarHBondContact O-N 2.96Å; I522-S598 VanDerWaalsContact CG1-CB 3.42Å; I522-S598 WeakPolarHBondContact CG1-O 3.29Å; I522-F602 HydrophobicContact CD1-CB 3.34Å; I522-F602 HydrophobicContact CD1-CD1 4.45Å; I522-F602 HydrophobicContact CD1-CD2 3.97Å; I522-F602 HydrophobicContact CD1-CG 3.68Å; I522-F602 HydrophobicContact CG1-CB 4.35Å
523	L	57.4	Low	56.4	Low	13 Å²	13	49.6 Å²	49.6	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-45.3	178	-71.1	170.4	0	0	0	111.4	V494 L519 Q521 A525 A526 Y527	V494-L523 HydrophobicContact CB-CD1 4.17Å; V494-L523 HydrophobicContact CG1-CD1 3.67Å; V494-L523 HydrophobicContact CG2-CD1 3.41Å; V494-L523 VanDerWaalsContact CG2-CD1 3.41Å; V494-L523 HydrophobicContact CG2-CD2 3.31Å; V494-L523 HydrophobicContact CG2-CG 3.99Å; L519-L523 HydrophobicContact CD1-CD1 4.46Å; L519-L523 HydrophobicContact CG-CD1 3.96Å; L519-L523 VanDerWaalsContact O-CB 3.31Å; L519-L523 WeakPolarHBondContact O-CB 3.41Å; L519-L523 WeakPolarHBondContact O-CD1 3.09Å; L519-L523 WeakPolarHBondContact O-CG 3.49Å; L519-L523 PolarHBondContact O-N 2.88Å; Q521-L523 PolarHBondContact O-N 3Å; L523-A525 VanDerWaalsContact C-N 3.33Å; L523-A525 PolarHBondContact O-N 3.47Å; L523-A526 CarbonylContact O-C 3.54Å; L523-A526 WeakPolarHBondContact O-CA 3.32Å; L523-A526 WeakPolarHBondContact O-CB 3.41Å; L523-A526 PolarHBondContact O-N 2.82Å; L523-Y527 VanDerWaalsContact C-CD2 3.45Å; L523-Y527 HydrophobicContact CB-CD2 4.2Å; L523-Y527 HydrophobicContact CB-CE2 3.89Å; L523-Y527 HydrophobicContact CD2-CE2 4.35Å; L523-Y527 WeakPolarHBondContact O-CD2 3.06Å; L523-Y527 PolarHBondContact O-N 3.49Å
524	N	58.3	Low	55.6	Low	84 Å²	84	49.8 Å²	49.8	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-34.3	176.8	-75.6	-14.6	0	0	0	112.6	K520 Q521 A526 Y527 H528	K520-N524 WeakPolarHBondContact O-CB 3.35Å; K520-N524 PolarHBondContact O-N 2.66Å; K520-N524 PolarHBondContact O-ND2 3.39Å; K520-N524 PolarHBondContact O-OD1 3.37Å; Q521-N524 PolarHBondContact O-N 2.77Å; N524-A526 PolarHBondContact O-N 2.95Å; N524-Y527 PolarHBondContact O-N 3.35Å; N524-H528 PolarHBondContact O-N 2.93Å
525	A	56.4	Low	54.5	Low	13 Å²	13	52.8 Å²	52.8	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-28.4	171.7	0	0	0	0	0	111.8	Q521 I522 L523 R594	Q521-A525 VanDerWaalsContact O-CB 3.31Å; Q521-A525 WeakPolarHBondContact O-CB 3.33Å; Q521-A525 PolarHBondContact O-N 3.38Å; I522-A525 PolarHBondContact O-N 3.47Å; L523-A525 VanDerWaalsContact C-N 3.33Å; L523-A525 PolarHBondContact O-N 3.47Å; A525-R594 HydrophobicContact CB-CB 4.2Å
526	A	50.4	Low	53.7	Low	4 Å²	4	56.2 Å²	56.2	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-83.2	-34	171.2	0	0	0	0	0	113.9	L407 V486 I522 L523 N524	L407-A526 HydrophobicContact CD1-CB 4.41Å; V486-A526 HydrophobicContact CG1-CB 3.96Å; I522-A526 PolarHBondContact O-N 2.96Å; L523-A526 CarbonylContact O-C 3.54Å; L523-A526 WeakPolarHBondContact O-CA 3.32Å; L523-A526 WeakPolarHBondContact O-CB 3.41Å; L523-A526 PolarHBondContact O-N 2.82Å; N524-A526 PolarHBondContact O-N 2.95Å
527	Y	46.6	Very low	53.2	Low	33 Å²	33	56.5 Å²	56.5	13%	0.129	31%	0.306	C	S	.	.	H	α-helix	trans	-78	-41.6	179.8	-77.3	-62.2	0	0	0	114.6	V486 D487 R490 L523 N524	V486-Y527 HydrophobicContact CG1-CE1 4.48Å; D487-Y527 WeakPolarHBondContact OD1-CE1 3.39Å; R490-Y527 WeakPolarHBondContact CB-OH 3.31Å; R490-Y527 VanDerWaalsContact CD-CZ 3.45Å; R490-Y527 WeakPolarHBondContact CD-OH 3.49Å; R490-Y527 HydrophobicContact CG-CE2 4.47Å; R490-Y527 WeakPolarHBondContact CG-OH 3.44Å; L523-Y527 VanDerWaalsContact C-CD2 3.45Å; L523-Y527 HydrophobicContact CB-CD2 4.2Å; L523-Y527 HydrophobicContact CB-CE2 3.89Å; L523-Y527 HydrophobicContact CD2-CE2 4.35Å; L523-Y527 WeakPolarHBondContact O-CD2 3.06Å; L523-Y527 PolarHBondContact O-N 3.49Å; N524-Y527 PolarHBondContact O-N 3.35Å
528	H	47.9	Very low	52.5	Low	118 Å²	118	57.2 Å²	57.2	55%	0.546	32%	0.317	S	S	.	.			trans	-109.4	71.9	-175.4	-69.5	-67	0	0	0	109.4	N524 E530 R594	N524-H528 PolarHBondContact O-N 2.93Å; H528-E530 PolarHBondContact O-N 3.14Å; H528-R594 PolarHBondContact O-NH1 3.49Å
529	V	48.1	Very low	51.8	Low	24 Å²	24	54.8 Å²	54.8	15%	0.145	31%	0.309	C	S	.	.			trans	-71.3	63.5	155.6	-163.5	0	0	0	0	107.9	V531 I587 F591	V529-V531 HydrophobicContact CG1-CG2 3.55Å; V529-V531 PolarHBondContact O-N 3.13Å; V529-I587 HydrophobicContact CG1-CG2 4.36Å; V529-F591 HydrophobicContact CG2-CD2 3.72Å; V529-F591 HydrophobicContact CG2-CE2 3.96Å
530	E	43.4	Very low	51	Low	132 Å²	132	56.2 Å²	56.2	62%	0.617	32%	0.319	S	S	*	.			trans	-66.1	92.9	155	-95.3	-171.3	178.2	0	0	105.6	H528 T532	H528-E530 PolarHBondContact O-N 3.14Å; E530-T532 HydrophobicContact CB-CG2 4.13Å; E530-T532 PolarHBondContact O-N 3.35Å
531	V	46.8	Very low	50.6	Low	4 Å²	4	60.6 Å²	60.6	2%	0.024	33%	0.332	C	S	.	.			trans	-67.7	74.1	167.4	-175.8	0	0	0	0	106.5	N475 V529 F533 I587	N475-V531 VanDerWaalsContact CG-O 3.29Å; N475-V531 PolarHBondContact ND2-O 3.43Å; V529-V531 HydrophobicContact CG1-CG2 3.55Å; V529-V531 PolarHBondContact O-N 3.13Å; V531-F533 HydrophobicContact CG1-CD2 4.08Å; V531-F533 HydrophobicContact CG1-CE1 4.26Å; V531-F533 HydrophobicContact CG1-CE2 3.6Å; V531-F533 HydrophobicContact CG1-CZ 3.67Å; V531-F533 PolarHBondContact O-N 2.91Å; V531-F533 VanDerWaalsContact O-N 3.12Å; V531-I587 HydrophobicContact CB-CG1 4.44Å; V531-I587 HydrophobicContact CG1-CD1 4.26Å; V531-I587 HydrophobicContact CG1-CG1 3.69Å; V531-I587 HydrophobicContact CG2-CB 4.46Å; V531-I587 HydrophobicContact CG2-CD1 4.14Å; V531-I587 HydrophobicContact CG2-CG1 3.84Å; V531-I587 HydrophobicContact CG2-CG2 3.94Å
532	T	44.3	Very low	50.1	Low	43 Å²	43	59.1 Å²	59.1	26%	0.264	33%	0.326	S	S	.	.			trans	-79.5	102.1	176	47.2	0	0	0	0	108.4	E530 H534	E530-T532 HydrophobicContact CB-CG2 4.13Å; E530-T532 PolarHBondContact O-N 3.35Å; T532-H534 WeakPolarHBondContact CB-CE1 3.23Å; T532-H534 WeakPolarHBondContact CB-NE2 3.22Å; T532-H534 PolarHBondContact O-N 3.46Å; T532-H534 PolarHBondContact OG1-CE1 2.9Å; T532-H534 VanDerWaalsContact OG1-CE1 3.23Å; T532-H534 PolarHBondContact OG1-NE2 2.76Å
533	F	45.6	Very low	49.5	Very low	28 Å²	28	59.8 Å²	59.8	12%	0.123	33%	0.329	C	S	.	.			trans	-70.4	79.8	165.1	-67.7	-73.7	0	0	0	108.6	I471 N475 V531 V539 T540 L583	I471-F533 HydrophobicContact CG2-CB 4.21Å; I471-F533 HydrophobicContact CG2-CD2 3.27Å; I471-F533 HydrophobicContact CG2-CE2 3.9Å; I471-F533 HydrophobicContact CG2-CG 4.05Å; N475-F533 VanDerWaalsContact ND2-CD2 3.33Å; N475-F533 WeakPolarHBondContact ND2-CD2 3.39Å; N475-F533 WeakPolarHBondContact OD1-CE2 3.34Å; V531-F533 HydrophobicContact CG1-CD2 4.08Å; V531-F533 HydrophobicContact CG1-CE1 4.26Å; V531-F533 HydrophobicContact CG1-CE2 3.6Å; V531-F533 HydrophobicContact CG1-CZ 3.67Å; V531-F533 PolarHBondContact O-N 2.91Å; V531-F533 VanDerWaalsContact O-N 3.12Å; F533-V539 HydrophobicContact CD1-CB 4.05Å; F533-V539 HydrophobicContact CD1-CG1 4.18Å; F533-V539 HydrophobicContact CE1-CB 3.75Å; F533-V539 HydrophobicContact CE1-CG1 3.74Å; F533-V539 HydrophobicContact CE1-CG2 3.92Å; F533-V539 HydrophobicContact CZ-CG1 4.34Å; F533-T540 HydrophobicContact CB-CG2 4Å; F533-L583 HydrophobicContact CE1-CD1 4.41Å; F533-L583 HydrophobicContact CE2-CD1 4.11Å; F533-L583 HydrophobicContact CZ-CD1 3.54Å; F533-L583 HydrophobicContact CZ-CG 4.17Å
534	H	42.7	Very low	49.2	Very low	130 Å²	130	65.3 Å²	65.3	60%	0.602	35%	0.35	S	S	*	.			trans	-65.4	149.1	167.8	-53.7	-52.5	0	0	0	108.9	T532 G536 S537	T532-H534 WeakPolarHBondContact CB-CE1 3.23Å; T532-H534 WeakPolarHBondContact CB-NE2 3.22Å; T532-H534 PolarHBondContact O-N 3.46Å; T532-H534 PolarHBondContact OG1-CE1 2.9Å; T532-H534 VanDerWaalsContact OG1-CE1 3.23Å; T532-H534 PolarHBondContact OG1-NE2 2.76Å; H534-G536 PolarHBondContact O-N 2.68Å; H534-S537 PolarHBondContact O-N 3.31Å; H534-S537 VanDerWaalsContact O-N 3.09Å
535	S	39.6	Very low	49.2	Very low	121 Å²	121	66.6 Å²	66.6	85%	0.846	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	21.9	-171.5	-47.5	0	0	0	0	116.6
536	G	45.7	Very low	49.1	Very low	72 Å²	72	69.7 Å²	69.7	74%	0.742	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	6.4	172.5	0	0	0	0	0	115.8	H534	H534-G536 PolarHBondContact O-N 2.68Å
537	S	53.7	Low	49	Very low	20 Å²	20	69.9 Å²	69.9	14%	0.14	37%	0.366	C	S	.	.	S	Bend	trans	-67.3	155.5	176.8	80.6	0	0	0	0	113	H534 V539 T540 R541	H534-S537 PolarHBondContact O-N 3.31Å; H534-S537 VanDerWaalsContact O-N 3.09Å; S537-V539 PolarHBondContact O-N 3.17Å; S537-V539 PolarHBondContact OG-N 3Å; S537-T540 PolarHBondContact N-OG1 3.05Å; S537-T540 PolarHBondContact O-N 3.01Å; S537-T540 PolarHBondContact O-OG1 2.97Å; S537-T540 PolarHBondContact OG-N 2.9Å; S537-T540 VanDerWaalsContact OG-N 3.14Å; S537-T540 PolarHBondContact OG-OG1 2.96Å; S537-T540 VanDerWaalsContact OG-OG1 3.06Å; S537-R541 PolarHBondContact O-N 3.35Å; S537-R541 VanDerWaalsContact O-N 3.12Å
538	S	52.3	Low	49.3	Very low	92 Å²	92	73.9 Å²	73.9	64%	0.643	38%	0.383	S	S	*	.	H	α-helix	trans	-59.7	-28.3	174.9	60.9	0	0	0	0	112.6	M542	S538-M542 WeakPolarHBondContact O-CB 3.4Å; S538-M542 PolarHBondContact O-N 3.35Å
539	V	50.5	Low	49.7	Very low	19 Å²	19	73 Å²	73	12%	0.115	38%	0.379	C	S	.	.	H	α-helix	trans	-71.8	-46.1	178.4	177.9	0	0	0	0	111.7	F533 S537 R541 M542 L543 L583 S586	F533-V539 HydrophobicContact CD1-CB 4.05Å; F533-V539 HydrophobicContact CD1-CG1 4.18Å; F533-V539 HydrophobicContact CE1-CB 3.75Å; F533-V539 HydrophobicContact CE1-CG1 3.74Å; F533-V539 HydrophobicContact CE1-CG2 3.92Å; F533-V539 HydrophobicContact CZ-CG1 4.34Å; S537-V539 PolarHBondContact O-N 3.17Å; S537-V539 PolarHBondContact OG-N 3Å; V539-R541 VanDerWaalsContact C-N 3.33Å; V539-R541 PolarHBondContact O-N 3.47Å; V539-M542 PolarHBondContact O-N 3.12Å; V539-L543 HydrophobicContact CG1-CD1 4.16Å; V539-L543 PolarHBondContact O-N 2.84Å; V539-L583 HydrophobicContact CG1-CD1 4.36Å; V539-S586 WeakPolarHBondContact CG2-OG 3.31Å
540	T	49.2	Very low	49.9	Very low	32 Å²	32	73 Å²	73	20%	0.196	38%	0.379	C	S	.	.	H	α-helix	trans	-66.8	-35	177.1	49.8	0	0	0	0	111.8	F533 S537 W544	F533-T540 HydrophobicContact CB-CG2 4Å; S537-T540 PolarHBondContact N-OG1 3.05Å; S537-T540 PolarHBondContact O-N 3.01Å; S537-T540 PolarHBondContact O-OG1 2.97Å; S537-T540 PolarHBondContact OG-N 2.9Å; S537-T540 VanDerWaalsContact OG-N 3.14Å; S537-T540 PolarHBondContact OG-OG1 2.96Å; S537-T540 VanDerWaalsContact OG-OG1 3.06Å; T540-W544 WeakPolarHBondContact O-CB 3.27Å; T540-W544 PolarHBondContact O-N 3.44Å
541	R	56.1	Low	50.2	Low	194 Å²	194	67.9 Å²	67.9	73%	0.732	36%	0.355	S	S	*	.	H	α-helix	trans	-68.2	-34.1	172.7	-166.8	173.7	174.6	175.9	-1.7	112.7	S537 V539 W544 E545	S537-R541 PolarHBondContact O-N 3.35Å; S537-R541 VanDerWaalsContact O-N 3.12Å; V539-R541 VanDerWaalsContact C-N 3.33Å; V539-R541 PolarHBondContact O-N 3.47Å; R541-W544 WeakPolarHBondContact O-CB 3.35Å; R541-W544 PolarHBondContact O-N 3.49Å; R541-E545 PolarHBondContact O-N 3.02Å; R541-E545 VanDerWaalsContact O-N 3.16Å
542	M	53.8	Low	50.6	Low	63 Å²	63	73.5 Å²	73.5	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-75	-39.2	177.2	-139.4	-162.6	83.9	0	0	112.7	S538 V539 W544 E545 Q546 K582	S538-M542 WeakPolarHBondContact O-CB 3.4Å; S538-M542 PolarHBondContact O-N 3.35Å; V539-M542 PolarHBondContact O-N 3.12Å; M542-W544 VanDerWaalsContact C-N 3.3Å; M542-E545 PolarHBondContact O-N 3.47Å; M542-Q546 PolarHBondContact O-N 3.33Å; M542-Q546 VanDerWaalsContact O-N 3.07Å; M542-K582 HydrophobicContact CE-CD 3.75Å; M542-K582 HydrophobicContact SD-CD 3.37Å; M542-K582 WeakPolarHBondContact SD-CD 3.42Å; M542-K582 PolarHBondContact SD-NZ 2.87Å
543	L	50	Low	51	Low	16 Å²	16	80.8 Å²	80.8	8%	0.084	40%	0.404	C	S	.	.	H	α-helix	trans	-61.1	-41.8	170.3	-77	163.4	0	0	0	110	I471 V539 E545 Q546 I547 L578	I471-L543 HydrophobicContact CD1-CD1 3.86Å; V539-L543 HydrophobicContact CG1-CD1 4.16Å; V539-L543 PolarHBondContact O-N 2.84Å; L543-E545 VanDerWaalsContact C-N 3.34Å; L543-E545 PolarHBondContact O-N 3.16Å; L543-Q546 PolarHBondContact O-N 3.04Å; L543-I547 HydrophobicContact CB-CD1 4.38Å; L543-I547 VanDerWaalsContact O-CB 3.28Å; L543-I547 WeakPolarHBondContact O-CB 3.31Å; L543-I547 WeakPolarHBondContact O-CD1 3.27Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 3.44Å; L543-L578 HydrophobicContact CD1-CD2 4Å; L543-L578 HydrophobicContact CD2-CD2 3.91Å; L543-L578 HydrophobicContact CD2-CG 4.42Å; L543-L578 HydrophobicContact CG-CD2 4.45Å
544	W	52	Low	51.3	Low	130 Å²	130	81.3 Å²	81.3	49%	0.492	41%	0.407	S	S	.	.	H	α-helix	trans	-58.1	-38.9	173.1	-166.7	-108.4	0	0	0	114.4	T540 R541 M542 I547 K548	T540-W544 WeakPolarHBondContact O-CB 3.27Å; T540-W544 PolarHBondContact O-N 3.44Å; R541-W544 WeakPolarHBondContact O-CB 3.35Å; R541-W544 PolarHBondContact O-N 3.49Å; M542-W544 VanDerWaalsContact C-N 3.3Å; W544-I547 HydrophobicContact CE3-CD1 4.23Å; W544-I547 HydrophobicContact CE3-CG2 4.42Å; W544-I547 PolarHBondContact O-N 3.36Å; W544-K548 PolarHBondContact O-N 2.98Å
545	E	57.2	Low	51.7	Low	111 Å²	111	79 Å²	79	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-68.1	-40.2	174.9	-77.5	-78.4	141.2	0	0	112.6	R541 M542 L543 K548	R541-E545 PolarHBondContact O-N 3.02Å; R541-E545 VanDerWaalsContact O-N 3.16Å; M542-E545 PolarHBondContact O-N 3.47Å; L543-E545 VanDerWaalsContact C-N 3.34Å; L543-E545 PolarHBondContact O-N 3.16Å; E545-K548 WeakPolarHBondContact O-CB 3.28Å; E545-K548 PolarHBondContact O-N 3.09Å
546	Q	55	Low	52.2	Low	77 Å²	77	84.3 Å²	84.3	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-70.3	-35.2	173.7	-70.9	-85.9	-50.3	0	0	111.9	M542 L543 K548 Q549 I550	M542-Q546 PolarHBondContact O-N 3.33Å; M542-Q546 VanDerWaalsContact O-N 3.07Å; L543-Q546 PolarHBondContact O-N 3.04Å; Q546-K548 VanDerWaalsContact C-N 3.31Å; Q546-K548 PolarHBondContact O-N 3.17Å; Q546-Q549 CarbonylContact O-C 3.54Å; Q546-Q549 WeakPolarHBondContact O-CA 3.46Å; Q546-Q549 WeakPolarHBondContact O-CB 3.43Å; Q546-Q549 PolarHBondContact O-N 3.42Å; Q546-I550 WeakPolarHBondContact O-CG1 3.4Å; Q546-I550 PolarHBondContact O-N 2.81Å
547	I	47.8	Very low	52.4	Low	9 Å²	9	86.2 Å²	86.2	5%	0.046	40%	0.402	C	S	.	.	H	α-helix	trans	-61.9	-38.6	173.2	-73.7	159.3	0	0	0	110.9	Q467 L543 W544 Q549 I550 I551	Q467-I547 VanDerWaalsContact CD-CD1 3.48Å; L543-I547 HydrophobicContact CB-CD1 4.38Å; L543-I547 VanDerWaalsContact O-CB 3.28Å; L543-I547 WeakPolarHBondContact O-CB 3.31Å; L543-I547 WeakPolarHBondContact O-CD1 3.27Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 3.44Å; W544-I547 HydrophobicContact CE3-CD1 4.23Å; W544-I547 HydrophobicContact CE3-CG2 4.42Å; W544-I547 PolarHBondContact O-N 3.36Å; I547-Q549 PolarHBondContact O-N 3.16Å; I547-I550 PolarHBondContact O-N 2.78Å; I547-I551 HydrophobicContact CG2-CD1 3.37Å; I547-I551 HydrophobicContact CG2-CG1 3.95Å; I547-I551 WeakPolarHBondContact O-CB 3.29Å; I547-I551 WeakPolarHBondContact O-CG1 3.4Å; I547-I551 PolarHBondContact O-N 3.32Å
548	K	53.3	Low	52.3	Low	116 Å²	116	90.3 Å²	90.3	50%	0.504	43%	0.43	S	S	.	.	H	α-helix	trans	-55.1	-40.6	170.1	-112.4	-179.2	-177.9	176.7	0	111.4	W544 E545 Q546 Q552	W544-K548 PolarHBondContact O-N 2.98Å; E545-K548 WeakPolarHBondContact O-CB 3.28Å; E545-K548 PolarHBondContact O-N 3.09Å; Q546-K548 VanDerWaalsContact C-N 3.31Å; Q546-K548 PolarHBondContact O-N 3.17Å; K548-Q552 VanDerWaalsContact O-CB 3.23Å; K548-Q552 WeakPolarHBondContact O-CB 3.27Å; K548-Q552 WeakPolarHBondContact O-CG 3.37Å; K548-Q552 PolarHBondContact O-N 3.17Å
549	Q	55.7	Low	52.3	Low	99 Å²	99	89.3 Å²	89.3	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-75.8	-39.6	178	-64.2	-157.2	-1.4	0	0	113.5	Q546 I547 Q552 R553	Q546-Q549 CarbonylContact O-C 3.54Å; Q546-Q549 WeakPolarHBondContact O-CA 3.46Å; Q546-Q549 WeakPolarHBondContact O-CB 3.43Å; Q546-Q549 PolarHBondContact O-N 3.42Å; I547-Q549 PolarHBondContact O-N 3.16Å; Q549-Q552 PolarHBondContact O-N 3.15Å; Q549-R553 WeakPolarHBondContact O-CG 3.18Å; Q549-R553 PolarHBondContact O-N 2.85Å
550	I	52.4	Low	52.7	Low	26 Å²	26	90 Å²	90	13%	0.133	43%	0.426	C	S	.	.	H	α-helix	trans	-65.5	-47.8	176.3	-67.5	166.7	0	0	0	110	Q546 I547 Q552 R553 I554 E573	Q546-I550 WeakPolarHBondContact O-CG1 3.4Å; Q546-I550 PolarHBondContact O-N 2.81Å; I547-I550 PolarHBondContact O-N 2.78Å; I550-Q552 VanDerWaalsContact C-N 3.33Å; I550-Q552 PolarHBondContact O-N 3.48Å; I550-R553 PolarHBondContact O-N 3.38Å; I550-R553 VanDerWaalsContact O-N 3.16Å; I550-I554 HydrophobicContact CG2-CD1 3.48Å; I550-I554 VanDerWaalsContact CG2-CD1 3.48Å; I550-I554 HydrophobicContact CG2-CG1 4.25Å; I550-I554 WeakPolarHBondContact O-CB 3.44Å; I550-I554 VanDerWaalsContact O-CG1 3.27Å; I550-I554 WeakPolarHBondContact O-CG1 3.34Å; I550-I554 PolarHBondContact O-N 3.16Å; I550-E573 WeakPolarHBondContact CG2-OE2 3.45Å
551	I	51.3	Low	53.5	Low	24 Å²	24	89.8 Å²	89.8	12%	0.123	43%	0.428	C	S	.	.	H	α-helix	trans	-58.7	-46.2	173.7	-67.4	172.4	0	0	0	109.5	K460 I463 I547 R553 I554 T555	K460-I551 HydrophobicContact CG-CD1 3.8Å; I463-I551 HydrophobicContact CD1-CD1 4.36Å; I463-I551 HydrophobicContact CD1-CG1 3.91Å; I547-I551 HydrophobicContact CG2-CD1 3.37Å; I547-I551 HydrophobicContact CG2-CG1 3.95Å; I547-I551 WeakPolarHBondContact O-CB 3.29Å; I547-I551 WeakPolarHBondContact O-CG1 3.4Å; I547-I551 PolarHBondContact O-N 3.32Å; I551-R553 VanDerWaalsContact C-N 3.31Å; I551-R553 PolarHBondContact O-N 2.76Å; I551-I554 PolarHBondContact O-N 2.88Å; I551-T555 HydrophobicContact CG2-CG2 3.77Å; I551-T555 VanDerWaalsContact O-CB 3.28Å; I551-T555 WeakPolarHBondContact O-CB 3.49Å; I551-T555 WeakPolarHBondContact O-CG2 3.41Å; I551-T555 PolarHBondContact O-N 3.21Å; I551-T555 PolarHBondContact O-OG1 3.16Å
552	Q	53.5	Low	54.2	Low	121 Å²	121	81.5 Å²	81.5	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-58.7	-38.4	176.8	-83.1	172.5	-9.2	0	0	113.2	K548 Q549 I550 T555	K548-Q552 VanDerWaalsContact O-CB 3.23Å; K548-Q552 WeakPolarHBondContact O-CB 3.27Å; K548-Q552 WeakPolarHBondContact O-CG 3.37Å; K548-Q552 PolarHBondContact O-N 3.17Å; Q549-Q552 PolarHBondContact O-N 3.15Å; I550-Q552 VanDerWaalsContact C-N 3.33Å; I550-Q552 PolarHBondContact O-N 3.48Å; Q552-T555 WeakPolarHBondContact CA-OG1 3.35Å; Q552-T555 PolarHBondContact O-OG1 2.76Å
553	R	54.5	Low	55.2	Low	197 Å²	197	81.7 Å²	81.7	74%	0.743	40%	0.403	S	S	*	.	H	α-helix	trans	-71.9	-39.8	175.9	-75.9	179.7	-175.1	-175.8	2.4	113	Q549 I550 I551	Q549-R553 WeakPolarHBondContact O-CG 3.18Å; Q549-R553 PolarHBondContact O-N 2.85Å; I550-R553 PolarHBondContact O-N 3.38Å; I550-R553 VanDerWaalsContact O-N 3.16Å; I551-R553 VanDerWaalsContact C-N 3.31Å; I551-R553 PolarHBondContact O-N 2.76Å
554	I	51.8	Low	56.5	Low	38 Å²	38	85.9 Å²	85.9	20%	0.195	43%	0.425	C	S	.	.	H	α-helix	trans	-76.1	-31.9	-179	-65.5	173.8	0	0	0	111.1	I550 I551 W556 P560	I550-I554 HydrophobicContact CG2-CD1 3.48Å; I550-I554 VanDerWaalsContact CG2-CD1 3.48Å; I550-I554 HydrophobicContact CG2-CG1 4.25Å; I550-I554 WeakPolarHBondContact O-CB 3.44Å; I550-I554 VanDerWaalsContact O-CG1 3.27Å; I550-I554 WeakPolarHBondContact O-CG1 3.34Å; I550-I554 PolarHBondContact O-N 3.16Å; I551-I554 PolarHBondContact O-N 2.88Å; I554-W556 PolarHBondContact O-N 3.02Å; I554-P560 HydrophobicContact CG2-CG 4.2Å
555	T	50.3	Low	57.7	Low	83 Å²	83	87.2 Å²	87.2	51%	0.509	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-1.1	179.6	52.2	0	0	0	0	115.2	I551 Q552	I551-T555 HydrophobicContact CG2-CG2 3.77Å; I551-T555 VanDerWaalsContact O-CB 3.28Å; I551-T555 WeakPolarHBondContact O-CB 3.49Å; I551-T555 WeakPolarHBondContact O-CG2 3.41Å; I551-T555 PolarHBondContact O-N 3.21Å; I551-T555 PolarHBondContact O-OG1 3.16Å; Q552-T555 WeakPolarHBondContact CA-OG1 3.35Å; Q552-T555 PolarHBondContact O-OG1 2.76Å
556	W	50	Low	58.8	Low	231 Å²	231	82.9 Å²	82.9	88%	0.875	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.6	178.7	-106.7	71.3	0	0	0	114.3	I554	I554-W556 PolarHBondContact O-N 3.02Å
557	V	49.8	Very low	60	Low	113 Å²	113	80.4 Å²	80.4	69%	0.685	40%	0.403	S	S	*	.	S	Bend	trans	-120.6	142.2	167.6	-173.6	0	0	0	0	106.6
558	S	50.9	Low	61.6	Low	106 Å²	106	83.9 Å²	83.9	74%	0.741	42%	0.416	S	S	*	.	S	Bend	trans	-40.5	147.8	-177.1	-53.6	0	0	0	0	113.4
559	P	52.8	Low	62.8	Low	70 Å²	70	84.3 Å²	84.3	46%	0.455	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-53.4	123	-162.6	-23.6	33.8	0	0	0	111	P453 A561	P453-P559 HydrophobicContact CB-CB 3.66Å; P453-P559 HydrophobicContact CB-CG 3.8Å; P453-P559 HydrophobicContact CG-CB 4.33Å; P453-P559 HydrophobicContact CG-CG 4.3Å; P559-A561 PolarHBondContact O-N 2.98Å
560	P	59.8	Low	63.7	Low	34 Å²	34	79.9 Å²	79.9	22%	0.221	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-69.5	131	-175.7	25.9	-31.6	0	0	0	109.5	I554 I562 W566	I554-P560 HydrophobicContact CG2-CG 4.2Å; P560-I562 PolarHBondContact O-N 3.07Å; P560-W566 VanDerWaalsContact CB-CD1 3.49Å; P560-W566 HydrophobicContact CB-CG 4.31Å; P560-W566 VanDerWaalsContact CG-NE1 3.32Å
561	A	65.4	Low	64.9	Low	28 Å²	28	78.7 Å²	78.7	23%	0.231	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-55.9	135.4	161.1	0	0	0	0	0	108.6	P559 T563	P559-A561 PolarHBondContact O-N 2.98Å; A561-T563 HydrophobicContact CB-CG2 3.96Å; A561-T563 PolarHBondContact O-N 3.34Å
562	I	71.8	Confident	66.2	Low	19 Å²	19	81.1 Å²	81.1	10%	0.097	40%	0.402	C	S	.	.			trans	-75.3	75.9	179.1	-58.9	-179.4	0	0	0	108.5	F442 V447 V454 P560 W566 K567	F442-I562 HydrophobicContact CD2-CG2 4.26Å; F442-I562 HydrophobicContact CE2-CG2 3.59Å; V447-I562 HydrophobicContact CG1-CB 3.91Å; V447-I562 HydrophobicContact CG1-CG2 4.29Å; V447-I562 HydrophobicContact CG2-CD1 4.24Å; V447-I562 HydrophobicContact CG2-CG2 4.37Å; V454-I562 HydrophobicContact CB-CD1 4.06Å; V454-I562 HydrophobicContact CB-CG1 4.47Å; V454-I562 HydrophobicContact CG1-CD1 4.03Å; V454-I562 HydrophobicContact CG2-CD1 3.75Å; V454-I562 HydrophobicContact CG2-CG1 3.99Å; P560-I562 PolarHBondContact O-N 3.07Å; I562-W566 HydrophobicContact CB-CE3 4.3Å; I562-W566 HydrophobicContact CB-CZ3 4.48Å; I562-W566 HydrophobicContact CG1-CE3 4.37Å; I562-W566 HydrophobicContact CG1-CZ3 4.24Å; I562-W566 HydrophobicContact CG2-CE3 3.84Å; I562-W566 HydrophobicContact CG2-CZ3 3.86Å; I562-K567 HydrophobicContact CG2-CG 4.34Å
563	T	73.9	Confident	67.1	Low	68 Å²	68	77.9 Å²	77.9	42%	0.417	39%	0.387	S	S	.	.			trans	-90.3	164.6	178.6	62.4	0	0	0	0	111.5	A561 E565 W566 K567	A561-T563 HydrophobicContact CB-CG2 3.96Å; A561-T563 PolarHBondContact O-N 3.34Å; T563-E565 PolarHBondContact O-N 3.44Å; T563-W566 WeakPolarHBondContact O-CB 3.38Å; T563-W566 PolarHBondContact O-N 2.87Å; T563-W566 VanDerWaalsContact O-N 3.12Å; T563-W566 PolarHBondContact OG1-N 3.39Å; T563-K567 PolarHBondContact O-N 3Å
564	L	77.8	Confident	67.9	Low	104 Å²	104	68.8 Å²	68.8	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-53.1	-42.6	172.6	-68.5	168.4	0	0	0	111.6	A438 K567 R568	A438-L564 HydrophobicContact CB-CD2 4.27Å; A438-L564 WeakPolarHBondContact O-CD2 3.49Å; L564-K567 PolarHBondContact O-N 3.25Å; L564-R568 PolarHBondContact O-N 3.47Å
565	E	75.9	Confident	68.9	Low	157 Å²	157	67.6 Å²	67.6	73%	0.734	35%	0.348	S	S	*	.	H	α-helix	trans	-66.4	-38.4	177.6	-67.2	-178.7	175.6	0	0	112.6	T563 R568 K569	T563-E565 PolarHBondContact O-N 3.44Å; E565-R568 PolarHBondContact O-N 3.37Å; E565-K569 WeakPolarHBondContact O-CB 3.23Å; E565-K569 PolarHBondContact O-N 2.98Å
566	W	80.4	Confident	69.9	Low	20 Å²	20	69.3 Å²	69.3	8%	0.076	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-45.2	175.4	178.5	83.7	0	0	0	111.4	F442 I459 C462 I463 P560 I562 T563 R568 K569 V570	F442-W566 HydrophobicContact CZ-CZ3 4.35Å; I459-W566 HydrophobicContact CG2-CH2 4.43Å; I459-W566 HydrophobicContact CG2-CZ2 4.03Å; C462-W566 HydrophobicContact CB-CH2 4.06Å; C462-W566 HydrophobicContact CB-CZ3 4.26Å; I463-W566 HydrophobicContact CG1-CH2 4.14Å; I463-W566 HydrophobicContact CG1-CZ2 4.25Å; P560-W566 VanDerWaalsContact CB-CD1 3.49Å; P560-W566 HydrophobicContact CB-CG 4.31Å; P560-W566 VanDerWaalsContact CG-NE1 3.32Å; I562-W566 HydrophobicContact CB-CE3 4.3Å; I562-W566 HydrophobicContact CB-CZ3 4.48Å; I562-W566 HydrophobicContact CG1-CE3 4.37Å; I562-W566 HydrophobicContact CG1-CZ3 4.24Å; I562-W566 HydrophobicContact CG2-CE3 3.84Å; I562-W566 HydrophobicContact CG2-CZ3 3.86Å; T563-W566 WeakPolarHBondContact O-CB 3.38Å; T563-W566 PolarHBondContact O-N 2.87Å; T563-W566 VanDerWaalsContact O-N 3.12Å; T563-W566 PolarHBondContact OG1-N 3.39Å; W566-R568 PolarHBondContact O-N 2.96Å; W566-K569 PolarHBondContact O-N 2.99Å; W566-V570 HydrophobicContact CD2-CG2 4Å; W566-V570 HydrophobicContact CE3-CG2 4.41Å; W566-V570 HydrophobicContact CH2-CG2 4.17Å; W566-V570 HydrophobicContact CZ2-CG2 3.72Å; W566-V570 HydrophobicContact CZ3-CG2 4.48Å; W566-V570 WeakPolarHBondContact O-CG2 3.27Å; W566-V570 PolarHBondContact O-N 3.16Å
567	K	81.3	Confident	70.7	Confident	26 Å²	26	59.3 Å²	59.3	11%	0.113	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-43.8	176.8	-65.2	-178.2	-165.3	173.7	0	111.7	A437 A438 M440 F442 I466 I562 T563 L564 V570 A571	A437-K567 WeakPolarHBondContact O-CB 3.5Å; A437-K567 VanDerWaalsContact O-CD 3.31Å; A437-K567 WeakPolarHBondContact O-CD 3.23Å; A438-K567 WeakPolarHBondContact O-CD 3.18Å; A438-K567 PolarHBondContact O-NZ 2.83Å; M440-K567 PolarHBondContact O-NZ 3.32Å; F442-K567 HydrophobicContact CE2-CD 4.03Å; F442-K567 VanDerWaalsContact CE2-CE 3.49Å; F442-K567 HydrophobicContact CE2-CG 4.21Å; F442-K567 HydrophobicContact CZ-CD 4.14Å; F442-K567 HydrophobicContact CZ-CG 4.14Å; I466-K567 HydrophobicContact CD1-CB 4.15Å; I466-K567 HydrophobicContact CD1-CG 4.27Å; I562-K567 HydrophobicContact CG2-CG 4.34Å; T563-K567 PolarHBondContact O-N 3Å; L564-K567 PolarHBondContact O-N 3.25Å; K567-V570 PolarHBondContact O-N 3.37Å; K567-A571 WeakPolarHBondContact O-CB 3.47Å; K567-A571 PolarHBondContact O-N 3.15Å
568	R	81.7	Confident	71.5	Confident	82 Å²	82	55 Å²	55	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-46.5	173.3	-75.9	-176.1	110.2	107.3	-0.6	111.7	L434 D435 A438 L564 E565 W566 A571 Q572	L434-R568 VanDerWaalsContact CD2-O 3.29Å; L434-R568 WeakPolarHBondContact CD2-O 3.37Å; D435-R568 IonicContact OD1-CZ 2.73Å; D435-R568 IonicContact OD1-NH1 2.97Å; D435-R568 PolarHBondContact OD1-NH1 3.44Å; D435-R568 IonicContact OD1-NH2 3.47Å; D435-R568 PolarHBondContact OD1-NH2 3.39Å; D435-R568 IonicContact OD2-NH2 3.85Å; A438-R568 HydrophobicContact CB-CG 3.65Å; L564-R568 PolarHBondContact O-N 3.47Å; E565-R568 PolarHBondContact O-N 3.37Å; W566-R568 PolarHBondContact O-N 2.96Å; R568-A571 PolarHBondContact O-N 3.47Å; R568-Q572 WeakPolarHBondContact O-CB 3.45Å; R568-Q572 PolarHBondContact O-N 2.96Å
569	K	77.2	Confident	72.4	Confident	124 Å²	124	52.4 Å²	52.4	54%	0.539	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-42.6	-179.2	-171.4	176.6	179.8	179.9	0	112.2	E565 W566 Q572 E573	E565-K569 WeakPolarHBondContact O-CB 3.23Å; E565-K569 PolarHBondContact O-N 2.98Å; W566-K569 PolarHBondContact O-N 2.99Å; K569-Q572 PolarHBondContact O-N 3.42Å; K569-E573 VanDerWaalsContact CE-OE1 3.29Å; K569-E573 WeakPolarHBondContact CE-OE1 3.48Å; K569-E573 WeakPolarHBondContact O-CG 3.4Å; K569-E573 PolarHBondContact O-N 2.91Å
570	V	76	Confident	73.1	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-42.4	174.9	170.2	0	0	0	0	111.2	I463 I466 W566 K567 A574	I463-V570 HydrophobicContact CG1-CG1 4.04Å; I463-V570 HydrophobicContact CG2-CG1 4.41Å; I466-V570 HydrophobicContact CD1-CB 4.4Å; I466-V570 HydrophobicContact CD1-CG1 4.11Å; I466-V570 HydrophobicContact CG2-CG1 4.42Å; W566-V570 HydrophobicContact CD2-CG2 4Å; W566-V570 HydrophobicContact CE3-CG2 4.41Å; W566-V570 HydrophobicContact CH2-CG2 4.17Å; W566-V570 HydrophobicContact CZ2-CG2 3.72Å; W566-V570 HydrophobicContact CZ3-CG2 4.48Å; W566-V570 WeakPolarHBondContact O-CG2 3.27Å; W566-V570 PolarHBondContact O-N 3.16Å; K567-V570 PolarHBondContact O-N 3.37Å; V570-A574 VanDerWaalsContact O-CB 3.24Å; V570-A574 WeakPolarHBondContact O-CB 3.49Å; V570-A574 PolarHBondContact O-N 3.22Å
571	A	77.1	Confident	73.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-41.2	174.9	0	0	0	0	0	112.3	L434 A437 I466 I470 K567 R568 A574 I575	L434-A571 HydrophobicContact CD2-CB 3.84Å; A437-A571 HydrophobicContact CB-CB 3.47Å; A437-A571 VanDerWaalsContact CB-CB 3.47Å; I466-A571 HydrophobicContact CG2-CB 3.88Å; I470-A571 HydrophobicContact CD1-CB 3.86Å; K567-A571 WeakPolarHBondContact O-CB 3.47Å; K567-A571 PolarHBondContact O-N 3.15Å; R568-A571 PolarHBondContact O-N 3.47Å; A571-A574 PolarHBondContact O-N 3.04Å; A571-I575 VanDerWaalsContact O-CG1 3.25Å; A571-I575 WeakPolarHBondContact O-CG1 3.47Å; A571-I575 PolarHBondContact O-N 3.09Å
572	Q	78.9	Confident	73.5	Confident	76 Å²	76	53.7 Å²	53.7	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-49.1	176.9	-175.4	174.7	-5.5	0	0	111.8	L434 R568 K569 A574 I575 E576	L434-Q572 HydrophobicContact CD2-CB 3.71Å; R568-Q572 WeakPolarHBondContact O-CB 3.45Å; R568-Q572 PolarHBondContact O-N 2.96Å; K569-Q572 PolarHBondContact O-N 3.42Å; Q572-A574 VanDerWaalsContact C-N 3.28Å; Q572-A574 PolarHBondContact O-N 2.9Å; Q572-I575 PolarHBondContact O-N 3.23Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.5Å; Q572-E576 PolarHBondContact NE2-OE1 2.92Å; Q572-E576 WeakPolarHBondContact O-CB 2.9Å; Q572-E576 WeakPolarHBondContact O-CG 3.31Å; Q572-E576 PolarHBondContact O-N 3.1Å
573	E	72.5	Confident	73.2	Confident	53 Å²	53	53.1 Å²	53.1	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-35.5	176.7	-71.4	179.2	-170.4	0	0	111.3	I550 K569 S577	I550-E573 WeakPolarHBondContact CG2-OE2 3.45Å; K569-E573 VanDerWaalsContact CE-OE1 3.29Å; K569-E573 WeakPolarHBondContact CE-OE1 3.48Å; K569-E573 WeakPolarHBondContact O-CG 3.4Å; K569-E573 PolarHBondContact O-N 2.91Å; E573-S577 VanDerWaalsContact O-CB 3.27Å; E573-S577 WeakPolarHBondContact O-CB 3.14Å; E573-S577 PolarHBondContact O-N 3.11Å; E573-S577 PolarHBondContact O-OG 2.99Å
574	A	71	Confident	72.9	Confident	5 Å²	5	50 Å²	50	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-44.1	173.8	0	0	0	0	0	112	Q467 I470 V570 A571 Q572 S577 L578	Q467-A574 HydrophobicContact CG-CB 4.1Å; I470-A574 HydrophobicContact CD1-CB 4.03Å; V570-A574 VanDerWaalsContact O-CB 3.24Å; V570-A574 WeakPolarHBondContact O-CB 3.49Å; V570-A574 PolarHBondContact O-N 3.22Å; A571-A574 PolarHBondContact O-N 3.04Å; Q572-A574 VanDerWaalsContact C-N 3.28Å; Q572-A574 PolarHBondContact O-N 2.9Å; A574-S577 PolarHBondContact O-N 2.93Å; A574-S577 PolarHBondContact O-OG 3.37Å; A574-L578 WeakPolarHBondContact O-CG 3.44Å; A574-L578 PolarHBondContact O-N 3Å
575	I	71.8	Confident	72.6	Confident	14 Å²	14	50.1 Å²	50.1	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-45.2	175.7	-69.6	164.3	0	0	0	110.9	L426 K430 L433 L434 I470 A571 Q572 S577 L578	L426-I575 HydrophobicContact CD2-CG2 4.39Å; K430-I575 HydrophobicContact CG-CD1 4.48Å; L433-I575 HydrophobicContact CB-CD1 4.08Å; L433-I575 HydrophobicContact CD1-CD1 4.32Å; L434-I575 HydrophobicContact CD2-CD1 4.3Å; L434-I575 HydrophobicContact CG-CD1 4.5Å; I470-I575 HydrophobicContact CD1-CG1 4.25Å; I470-I575 HydrophobicContact CG2-CG1 4.09Å; A571-I575 VanDerWaalsContact O-CG1 3.25Å; A571-I575 WeakPolarHBondContact O-CG1 3.47Å; A571-I575 PolarHBondContact O-N 3.09Å; Q572-I575 PolarHBondContact O-N 3.23Å; I575-S577 VanDerWaalsContact C-N 3.28Å; I575-S577 PolarHBondContact O-N 3.31Å; I575-L578 WeakPolarHBondContact O-CB 3.24Å; I575-L578 PolarHBondContact O-N 3.37Å
576	E	71.2	Confident	72.3	Confident	119 Å²	119	43.4 Å²	43.4	56%	0.556	21%	0.211	S	C	*	.	H	α-helix	trans	-69	-26.3	179.8	-71	172.3	-170.5	0	0	112.7	K430 Q572 L578	K430-E576 IonicContact NZ-OE1 2.68Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.5Å; Q572-E576 PolarHBondContact NE2-OE1 2.92Å; Q572-E576 WeakPolarHBondContact O-CB 2.9Å; Q572-E576 WeakPolarHBondContact O-CG 3.31Å; Q572-E576 PolarHBondContact O-N 3.1Å; E576-L578 VanDerWaalsContact C-N 3.33Å
577	S	67.9	Low	71.5	Confident	21 Å²	21	42.5 Å²	42.5	15%	0.147	21%	0.208	C	C	.	.	H	α-helix	trans	-76.6	-15.6	174.3	78.2	0	0	0	0	114.1	E573 A574 I575 S579	E573-S577 VanDerWaalsContact O-CB 3.27Å; E573-S577 WeakPolarHBondContact O-CB 3.14Å; E573-S577 PolarHBondContact O-N 3.11Å; E573-S577 PolarHBondContact O-OG 2.99Å; A574-S577 PolarHBondContact O-N 2.93Å; A574-S577 PolarHBondContact O-OG 3.37Å; I575-S577 VanDerWaalsContact C-N 3.28Å; I575-S577 PolarHBondContact O-N 3.31Å; S577-S579 PolarHBondContact O-N 3.25Å
578	L	66.9	Low	70.8	Confident	23 Å²	23	41.3 Å²	41.3	12%	0.12	20%	0.203	C	C	.	.			trans	-75.6	107.9	178.4	-75	164.7	0	0	0	110.5	L426 I470 L474 L543 A574 I575 E576 A580 L583	L426-L578 HydrophobicContact CD2-CD1 4.39Å; I470-L578 HydrophobicContact CG2-CD1 4.11Å; L474-L578 HydrophobicContact CD2-CD1 4.37Å; L543-L578 HydrophobicContact CD1-CD2 4Å; L543-L578 HydrophobicContact CD2-CD2 3.91Å; L543-L578 HydrophobicContact CD2-CG 4.42Å; L543-L578 HydrophobicContact CG-CD2 4.45Å; A574-L578 WeakPolarHBondContact O-CG 3.44Å; A574-L578 PolarHBondContact O-N 3Å; I575-L578 WeakPolarHBondContact O-CB 3.24Å; I575-L578 PolarHBondContact O-N 3.37Å; E576-L578 VanDerWaalsContact C-N 3.33Å; L578-A580 PolarHBondContact O-N 2.92Å; L578-A580 VanDerWaalsContact O-N 3.16Å; L578-L583 HydrophobicContact CD2-CD1 4.47Å
579	S	69.7	Low	70.4	Confident	51 Å²	51	39.8 Å²	39.8	36%	0.357	21%	0.205	S	C	.	.			trans	-75.6	104.4	170.1	179.8	0	0	0	0	110.5	S577 S581 K582 L583	S577-S579 PolarHBondContact O-N 3.25Å; S579-S581 PolarHBondContact O-N 2.95Å; S579-S581 VanDerWaalsContact O-N 3.16Å; S579-K582 PolarHBondContact O-N 3.32Å; S579-L583 PolarHBondContact O-N 2.9Å
580	A	66.7	Low	70	Confident	12 Å²	12	36.4 Å²	36.4	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-52.9	-35.9	176.1	0	0	0	0	0	113	K419 I422 V423 L578 K582 L583 A584	K419-A580 HydrophobicContact CG-CB 4.47Å; I422-A580 HydrophobicContact CB-CB 4.34Å; I422-A580 HydrophobicContact CG2-CB 3.78Å; V423-A580 HydrophobicContact CG2-CB 3.41Å; V423-A580 VanDerWaalsContact CG2-CB 3.41Å; L578-A580 PolarHBondContact O-N 2.92Å; L578-A580 VanDerWaalsContact O-N 3.16Å; A580-K582 PolarHBondContact O-N 3.36Å; A580-L583 PolarHBondContact O-N 2.99Å; A580-A584 VanDerWaalsContact O-CB 3.28Å; A580-A584 WeakPolarHBondContact O-CB 3.39Å; A580-A584 PolarHBondContact O-N 3.33Å
581	S	66.7	Low	69.7	Low	38 Å²	38	37.1 Å²	37.1	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-65	-38.3	175.9	-177.7	0	0	0	0	113	S579 K585	S579-S581 PolarHBondContact O-N 2.95Å; S579-S581 VanDerWaalsContact O-N 3.16Å; S581-K585 WeakPolarHBondContact O-CB 3.32Å; S581-K585 VanDerWaalsContact O-CG 3.25Å; S581-K585 WeakPolarHBondContact O-CG 3.29Å; S581-K585 PolarHBondContact O-N 2.88Å; S581-K585 VanDerWaalsContact O-N 3.13Å
582	K	67.1	Low	69.5	Low	108 Å²	108	40.9 Å²	40.9	47%	0.47	21%	0.208	S	C	.	.	H	α-helix	trans	-76.4	-35.2	177.7	-67.2	-177	179.5	175.8	0	111.8	M542 S579 A580 K585 S586	M542-K582 HydrophobicContact CE-CD 3.75Å; M542-K582 HydrophobicContact SD-CD 3.37Å; M542-K582 WeakPolarHBondContact SD-CD 3.42Å; M542-K582 PolarHBondContact SD-NZ 2.87Å; S579-K582 PolarHBondContact O-N 3.32Å; A580-K582 PolarHBondContact O-N 3.36Å; K582-K585 PolarHBondContact O-N 2.76Å; K582-S586 PolarHBondContact O-N 3.47Å
583	L	65.9	Low	69.4	Low	8 Å²	8	41.6 Å²	41.6	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-50.5	173.4	-159	96.1	0	0	0	110.7	I422 L474 F533 V539 L578 S579 A580 K585 S586 I587	I422-L583 HydrophobicContact CD1-CB 4.44Å; I422-L583 HydrophobicContact CD1-CD2 3.83Å; I422-L583 HydrophobicContact CG1-CD2 4.16Å; I422-L583 HydrophobicContact CG2-CD2 3.75Å; L474-L583 HydrophobicContact CD2-CD1 4.45Å; L474-L583 HydrophobicContact CD2-CD2 3.69Å; L474-L583 HydrophobicContact CG-CD2 4.4Å; F533-L583 HydrophobicContact CE1-CD1 4.41Å; F533-L583 HydrophobicContact CE2-CD1 4.11Å; F533-L583 HydrophobicContact CZ-CD1 3.54Å; F533-L583 HydrophobicContact CZ-CG 4.17Å; V539-L583 HydrophobicContact CG1-CD1 4.36Å; L578-L583 HydrophobicContact CD2-CD1 4.47Å; S579-L583 PolarHBondContact O-N 2.9Å; A580-L583 PolarHBondContact O-N 2.99Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 2.85Å; L583-S586 PolarHBondContact O-N 2.96Å; L583-S586 VanDerWaalsContact O-N 3.1Å; L583-I587 HydrophobicContact CD2-CD1 3.92Å; L583-I587 HydrophobicContact CG-CD1 4.03Å; L583-I587 WeakPolarHBondContact O-CG1 3.22Å; L583-I587 PolarHBondContact O-N 3.36Å
584	A	68.1	Low	69.3	Low	1 Å²	1	44.1 Å²	44.1	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-56.1	-44.9	176.1	0	0	0	0	0	111.9	M418 K419 I422 A580 S586 I587 C588	M418-A584 HydrophobicContact CB-CB 4.35Å; K419-A584 HydrophobicContact CB-CB 3.94Å; I422-A584 HydrophobicContact CD1-CB 3.86Å; A580-A584 VanDerWaalsContact O-CB 3.28Å; A580-A584 WeakPolarHBondContact O-CB 3.39Å; A580-A584 PolarHBondContact O-N 3.33Å; A584-S586 PolarHBondContact O-N 3.42Å; A584-I587 PolarHBondContact O-N 3.39Å; A584-C588 WeakPolarHBondContact O-CB 3.11Å; A584-C588 PolarHBondContact O-N 3.29Å; A584-C588 PolarHBondContact O-SG 3.03Å
585	K	70.2	Confident	69.5	Low	108 Å²	108	44 Å²	44	47%	0.47	22%	0.223	S	C	.	.	H	α-helix	trans	-60.8	-42.1	175	-78.2	175.1	-177.5	-178.6	0	112.9	S581 K582 L583 S589	S581-K585 WeakPolarHBondContact O-CB 3.32Å; S581-K585 VanDerWaalsContact O-CG 3.25Å; S581-K585 WeakPolarHBondContact O-CG 3.29Å; S581-K585 PolarHBondContact O-N 2.88Å; S581-K585 VanDerWaalsContact O-N 3.13Å; K582-K585 PolarHBondContact O-N 2.76Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 2.85Å; K585-S589 VanDerWaalsContact O-CB 3.26Å; K585-S589 WeakPolarHBondContact O-CB 3.46Å; K585-S589 PolarHBondContact O-N 2.65Å
586	S	69.1	Low	69.9	Low	15 Å²	15	45.9 Å²	45.9	11%	0.105	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-45.2	178.5	-172.3	0	0	0	0	111.8	V539 K582 L583 A584 S589 Q590	V539-S586 WeakPolarHBondContact CG2-OG 3.31Å; K582-S586 PolarHBondContact O-N 3.47Å; L583-S586 PolarHBondContact O-N 2.96Å; L583-S586 VanDerWaalsContact O-N 3.1Å; A584-S586 PolarHBondContact O-N 3.42Å; S586-S589 PolarHBondContact O-N 2.54Å; S586-Q590 WeakPolarHBondContact O-CG 3.22Å; S586-Q590 PolarHBondContact O-N 3.43Å
587	I	65.1	Low	70.2	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-49.3	179.3	-65.8	170.6	0	0	0	110.5	I422 V478 V529 V531 L583 A584 S589 Q590 F591	I422-I587 HydrophobicContact CD1-CD1 4.23Å; V478-I587 HydrophobicContact CG1-CD1 4.2Å; V529-I587 HydrophobicContact CG1-CG2 4.36Å; V531-I587 HydrophobicContact CB-CG1 4.44Å; V531-I587 HydrophobicContact CG1-CD1 4.26Å; V531-I587 HydrophobicContact CG1-CG1 3.69Å; V531-I587 HydrophobicContact CG2-CB 4.46Å; V531-I587 HydrophobicContact CG2-CD1 4.14Å; V531-I587 HydrophobicContact CG2-CG1 3.84Å; V531-I587 HydrophobicContact CG2-CG2 3.94Å; L583-I587 HydrophobicContact CD2-CD1 3.92Å; L583-I587 HydrophobicContact CG-CD1 4.03Å; L583-I587 WeakPolarHBondContact O-CG1 3.22Å; L583-I587 PolarHBondContact O-N 3.36Å; A584-I587 PolarHBondContact O-N 3.39Å; I587-S589 VanDerWaalsContact C-N 3.26Å; I587-S589 PolarHBondContact O-N 2.91Å; I587-Q590 PolarHBondContact O-N 3.09Å; I587-F591 WeakPolarHBondContact O-CB 3.44Å; I587-F591 PolarHBondContact O-N 3.39Å
588	C	67.1	Low	70.5	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-36.3	176.4	-67.1	0	0	0	0	111.6	Q415 M418 A584 R592	Q415-C588 HydrophobicContact CG-CB 4.39Å; M418-C588 PolarHBondContact SD-SG 3.41Å; A584-C588 WeakPolarHBondContact O-CB 3.11Å; A584-C588 PolarHBondContact O-N 3.29Å; A584-C588 PolarHBondContact O-SG 3.03Å; C588-R592 WeakPolarHBondContact O-CB 3.37Å; C588-R592 WeakPolarHBondContact O-CG 3.48Å; C588-R592 PolarHBondContact O-N 3.06Å; C588-R592 PolarHBondContact O-NE 3.08Å
589	S	72.4	Confident	71.2	Confident	49 Å²	49	44 Å²	44	34%	0.343	23%	0.231	S	C	.	.	H	α-helix	trans	-66.3	-45.5	175.6	-166.9	0	0	0	0	112.4	K585 S586 I587 R592 T593	K585-S589 VanDerWaalsContact O-CB 3.26Å; K585-S589 WeakPolarHBondContact O-CB 3.46Å; K585-S589 PolarHBondContact O-N 2.65Å; S586-S589 PolarHBondContact O-N 2.54Å; I587-S589 VanDerWaalsContact C-N 3.26Å; I587-S589 PolarHBondContact O-N 2.91Å; S589-R592 PolarHBondContact O-N 3.24Å; S589-T593 PolarHBondContact O-N 2.82Å; S589-T593 PolarHBondContact O-OG1 2.86Å
590	Q	69.3	Low	71.8	Confident	54 Å²	54	47.9 Å²	47.9	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-40.8	178.1	-72.4	178.5	1.5	0	0	111.8	S586 I587 T593 R594	S586-Q590 WeakPolarHBondContact O-CG 3.22Å; S586-Q590 PolarHBondContact O-N 3.43Å; I587-Q590 PolarHBondContact O-N 3.09Å; Q590-T593 PolarHBondContact O-N 3.2Å; Q590-R594 WeakPolarHBondContact O-CG 3.39Å; Q590-R594 PolarHBondContact O-N 3.25Å
591	F	69.2	Low	72.4	Confident	22 Å²	22	48.6 Å²	48.6	10%	0.096	25%	0.25	C	S	.	.	H	α-helix	trans	-60	-49.2	175.1	-175.4	-100.4	0	0	0	111.7	A411 V529 I587 T593 R594 L595	A411-F591 HydrophobicContact CB-CD1 3.56Å; A411-F591 HydrophobicContact CB-CE1 3.81Å; V529-F591 HydrophobicContact CG2-CD2 3.72Å; V529-F591 HydrophobicContact CG2-CE2 3.96Å; I587-F591 WeakPolarHBondContact O-CB 3.44Å; I587-F591 PolarHBondContact O-N 3.39Å; F591-T593 PolarHBondContact O-N 3.45Å; F591-R594 PolarHBondContact O-N 2.92Å; F591-L595 WeakPolarHBondContact O-CB 3.01Å; F591-L595 PolarHBondContact O-N 2.94Å
592	R	73.3	Confident	73	Confident	79 Å²	79	46.8 Å²	46.8	30%	0.298	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-45.3	175.8	-74	-175.2	-66	120	-2.5	112.3	M408 A411 C588 S589 R594 L595 N596	M408-R592 HydrophobicContact CE-CB 4.14Å; M408-R592 HydrophobicContact CE-CG 3.84Å; M408-R592 HydrophobicContact SD-CB 4.27Å; M408-R592 HydrophobicContact SD-CG 3.67Å; A411-R592 HydrophobicContact CB-CG 3.95Å; C588-R592 WeakPolarHBondContact O-CB 3.37Å; C588-R592 WeakPolarHBondContact O-CG 3.48Å; C588-R592 PolarHBondContact O-N 3.06Å; C588-R592 PolarHBondContact O-NE 3.08Å; S589-R592 PolarHBondContact O-N 3.24Å; R592-R594 PolarHBondContact O-N 3.27Å; R592-L595 PolarHBondContact O-N 2.95Å; R592-N596 WeakPolarHBondContact O-CB 3.31Å; R592-N596 VanDerWaalsContact O-CG 3.31Å; R592-N596 PolarHBondContact O-N 2.91Å; R592-N596 PolarHBondContact O-OD1 2.86Å
593	T	75.7	Confident	73.7	Confident	91 Å²	91	42.5 Å²	42.5	56%	0.558	22%	0.222	S	C	*	.	H	α-helix	trans	-62.7	-42.2	179.4	-56.5	0	0	0	0	111.9	S589 Q590 F591 S597	S589-T593 PolarHBondContact O-N 2.82Å; S589-T593 PolarHBondContact O-OG1 2.86Å; Q590-T593 PolarHBondContact O-N 3.2Å; F591-T593 PolarHBondContact O-N 3.45Å; T593-S597 WeakPolarHBondContact O-CB 3.48Å; T593-S597 PolarHBondContact O-N 3.13Å
594	R	71.4	Confident	74.4	Confident	105 Å²	105	44.6 Å²	44.6	40%	0.396	24%	0.24	S	C	.	.	H	α-helix	trans	-66.3	-44.6	176.2	-72.1	-172.6	-178.2	-166.1	3.8	111.5	A525 H528 Q590 F591 R592 N596 S597 S598	A525-R594 HydrophobicContact CB-CB 4.2Å; H528-R594 PolarHBondContact O-NH1 3.49Å; Q590-R594 WeakPolarHBondContact O-CG 3.39Å; Q590-R594 PolarHBondContact O-N 3.25Å; F591-R594 PolarHBondContact O-N 2.92Å; R592-R594 PolarHBondContact O-N 3.27Å; R594-N596 PolarHBondContact O-N 3.34Å; R594-S597 PolarHBondContact O-N 3.12Å; R594-S598 PolarHBondContact O-N 3.11Å; R594-S598 PolarHBondContact O-OG 2.76Å; R594-S598 VanDerWaalsContact O-OG 3.12Å
595	L	73.8	Confident	74.8	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-47.7	177.3	-168.8	78.7	0	0	0	111.5	Y404 L407 M408 F591 R592 S598 H599	Y404-L595 HydrophobicContact CD2-CD2 3.86Å; Y404-L595 HydrophobicContact CD2-CG 3.85Å; Y404-L595 HydrophobicContact CE2-CD2 3.9Å; Y404-L595 HydrophobicContact CE2-CG 4Å; L407-L595 HydrophobicContact CB-CD1 3.84Å; L407-L595 HydrophobicContact CB-CD2 3.86Å; L407-L595 HydrophobicContact CD1-CD1 3.69Å; L407-L595 HydrophobicContact CG-CD1 4.41Å; M408-L595 HydrophobicContact CB-CD2 3.98Å; M408-L595 HydrophobicContact SD-CD2 4.04Å; F591-L595 WeakPolarHBondContact O-CB 3.01Å; F591-L595 PolarHBondContact O-N 2.94Å; R592-L595 PolarHBondContact O-N 2.95Å; L595-S598 PolarHBondContact O-N 3.49Å; L595-H599 WeakPolarHBondContact O-CB 3.33Å; L595-H599 PolarHBondContact O-N 3.05Å
596	N	80.5	Confident	75.3	Confident	54 Å²	54	40 Å²	40	29%	0.289	22%	0.221	S	C	.	.	H	α-helix	trans	-60.1	-47.1	176.8	-74.8	13	0	0	0	111.8	Y404 R592 R594 S598 H599 E600	Y404-N596 PolarHBondContact OH-OD1 2.95Å; R592-N596 WeakPolarHBondContact O-CB 3.31Å; R592-N596 VanDerWaalsContact O-CG 3.31Å; R592-N596 PolarHBondContact O-N 2.91Å; R592-N596 PolarHBondContact O-OD1 2.86Å; R594-N596 PolarHBondContact O-N 3.34Å; N596-S598 VanDerWaalsContact C-N 3.32Å; N596-S598 PolarHBondContact O-N 3.49Å; N596-H599 PolarHBondContact O-N 2.84Å; N596-E600 WeakPolarHBondContact O-CG 3.38Å; N596-E600 PolarHBondContact O-N 3.47Å
597	S	78.3	Confident	75.9	Confident	73 Å²	73	46.6 Å²	46.6	51%	0.51	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-41.4	179.3	174.2	0	0	0	0	112.1	T593 R594 A601	T593-S597 WeakPolarHBondContact O-CB 3.48Å; T593-S597 PolarHBondContact O-N 3.13Å; R594-S597 PolarHBondContact O-N 3.12Å; S597-A601 WeakPolarHBondContact O-CB 3.41Å; S597-A601 PolarHBondContact O-N 2.93Å
598	S	74.8	Confident	76.6	Confident	15 Å²	15	52.4 Å²	52.4	11%	0.105	27%	0.271	C	S	.	.	H	α-helix	trans	-70.8	-38.5	178	-57.2	0	0	0	0	112.5	I522 R594 L595 N596 A601 F602	I522-S598 VanDerWaalsContact CG1-CB 3.42Å; I522-S598 WeakPolarHBondContact CG1-O 3.29Å; R594-S598 PolarHBondContact O-N 3.11Å; R594-S598 PolarHBondContact O-OG 2.76Å; R594-S598 VanDerWaalsContact O-OG 3.12Å; L595-S598 PolarHBondContact O-N 3.49Å; N596-S598 VanDerWaalsContact C-N 3.32Å; N596-S598 PolarHBondContact O-N 3.49Å; S598-A601 PolarHBondContact O-N 2.94Å; S598-F602 WeakPolarHBondContact O-CB 3.3Å; S598-F602 PolarHBondContact O-N 3.1Å
599	H	81.4	Confident	77.1	Confident	35 Å²	35	52.5 Å²	52.5	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-47.1	173.2	176.2	62.7	0	0	0	111.8	E400 N401 Y404 L595 N596 A601 F602 A603	E400-H599 VanDerWaalsContact CD-ND1 3.34Å; E400-H599 IonicContact OE1-CE1 3.69Å; E400-H599 IonicContact OE1-CG 2.66Å; E400-H599 IonicContact OE1-ND1 3.28Å; E400-H599 PolarHBondContact OE1-ND1 3.24Å; E400-H599 IonicContact OE2-CE1 3.95Å; E400-H599 PolarHBondContact OE2-CE1 3.48Å; E400-H599 VanDerWaalsContact OE2-CE1 3.29Å; E400-H599 IonicContact OE2-ND1 3.09Å; E400-H599 PolarHBondContact OE2-ND1 3.33Å; N401-H599 PolarHBondContact OD1-CE1 3Å; N401-H599 VanDerWaalsContact OD1-CE1 3.24Å; Y404-H599 HydrophobicContact CD2-CB 3.53Å; Y404-H599 AromaticContact CD2-CG 3.6Å; Y404-H599 HydrophobicContact CE2-CB 3.8Å; Y404-H599 AromaticContact CE2-CG 3.94Å; Y404-H599 HydrophobicContact CG-CB 4.2Å; Y404-H599 AromaticContact CG-CG 3.79Å; Y404-H599 AromaticContact CG-ND1 3.76Å; L595-H599 WeakPolarHBondContact O-CB 3.33Å; L595-H599 PolarHBondContact O-N 3.05Å; N596-H599 PolarHBondContact O-N 2.84Å; H599-A601 PolarHBondContact O-N 3.46Å; H599-F602 PolarHBondContact O-N 3.37Å; H599-A603 WeakPolarHBondContact O-CB 2.93Å; H599-A603 PolarHBondContact O-N 3.3Å
600	E	82.8	Confident	77.4	Confident	132 Å²	132	53.2 Å²	53.2	62%	0.617	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-42	176.7	-74.6	177.9	-178.1	0	0	112.3	N596 A603 A604	N596-E600 WeakPolarHBondContact O-CG 3.38Å; N596-E600 PolarHBondContact O-N 3.47Å; E600-A603 PolarHBondContact O-N 3.46Å; E600-A604 WeakPolarHBondContact O-CB 3.38Å; E600-A604 PolarHBondContact O-N 2.89Å
601	A	77.8	Confident	77.9	Confident	28 Å²	28	53.9 Å²	53.9	23%	0.231	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-40.1	177.7	0	0	0	0	0	112.4	Y518 S597 S598 H599 A604 S605	Y518-A601 HydrophobicContact CD1-CB 3.88Å; Y518-A601 HydrophobicContact CE1-CB 3.98Å; S597-A601 WeakPolarHBondContact O-CB 3.41Å; S597-A601 PolarHBondContact O-N 2.93Å; S598-A601 PolarHBondContact O-N 2.94Å; H599-A601 PolarHBondContact O-N 3.46Å; A601-A604 PolarHBondContact O-N 3.1Å; A601-S605 WeakPolarHBondContact O-CB 3.25Å; A601-S605 PolarHBondContact O-N 2.86Å; A601-S605 PolarHBondContact O-OG 2.91Å
602	F	80	Confident	78.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-46.5	173.9	179	-89.6	0	0	0	111.4	T396 E400 L501 T515 L519 I522 S598 H599 A604 S605 L606	T396-F602 HydrophobicContact CG2-CZ 4.03Å; E400-F602 HydrophobicContact CB-CD1 4.08Å; E400-F602 HydrophobicContact CB-CE1 3.5Å; E400-F602 HydrophobicContact CB-CZ 3.97Å; E400-F602 VanDerWaalsContact CD-CD1 3.45Å; E400-F602 HydrophobicContact CG-CD1 3.44Å; E400-F602 VanDerWaalsContact CG-CD1 3.44Å; E400-F602 HydrophobicContact CG-CE1 3.38Å; E400-F602 HydrophobicContact CG-CE2 4.47Å; E400-F602 HydrophobicContact CG-CG 4.05Å; E400-F602 HydrophobicContact CG-CZ 3.93Å; L501-F602 HydrophobicContact CD1-CE2 4.1Å; T515-F602 HydrophobicContact CG2-CD2 4.16Å; T515-F602 HydrophobicContact CG2-CE2 3.69Å; T515-F602 HydrophobicContact CG2-CZ 4.23Å; L519-F602 HydrophobicContact CB-CD2 4.4Å; L519-F602 HydrophobicContact CB-CE2 4.18Å; I522-F602 HydrophobicContact CD1-CB 3.34Å; I522-F602 HydrophobicContact CD1-CD1 4.45Å; I522-F602 HydrophobicContact CD1-CD2 3.97Å; I522-F602 HydrophobicContact CD1-CG 3.68Å; I522-F602 HydrophobicContact CG1-CB 4.35Å; S598-F602 WeakPolarHBondContact O-CB 3.3Å; S598-F602 PolarHBondContact O-N 3.1Å; H599-F602 PolarHBondContact O-N 3.37Å; F602-A604 VanDerWaalsContact C-N 3.31Å; F602-A604 PolarHBondContact O-N 3.38Å; F602-S605 PolarHBondContact O-N 2.91Å; F602-S605 VanDerWaalsContact O-N 3.15Å; F602-L606 HydrophobicContact CE1-CB 4.45Å; F602-L606 HydrophobicContact CE1-CD2 4.06Å; F602-L606 WeakPolarHBondContact O-CB 3.35Å; F602-L606 PolarHBondContact O-N 3.12Å
603	A	81.4	Confident	78.6	Confident	18 Å²	18	50.4 Å²	50.4	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-40.2	176.8	0	0	0	0	0	112	H599 E600 R607	H599-A603 WeakPolarHBondContact O-CB 2.93Å; H599-A603 PolarHBondContact O-N 3.3Å; E600-A603 PolarHBondContact O-N 3.46Å; A603-R607 VanDerWaalsContact O-CG 3.28Å; A603-R607 WeakPolarHBondContact O-CG 3.48Å; A603-R607 PolarHBondContact O-N 3.4Å; A603-R607 VanDerWaalsContact O-N 3.07Å
604	A	80.6	Confident	78.8	Confident	51 Å²	51	48.7 Å²	48.7	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-41.3	174.8	0	0	0	0	0	112.6	E600 A601 F602 R607 Q608	E600-A604 WeakPolarHBondContact O-CB 3.38Å; E600-A604 PolarHBondContact O-N 2.89Å; A601-A604 PolarHBondContact O-N 3.1Å; F602-A604 VanDerWaalsContact C-N 3.31Å; F602-A604 PolarHBondContact O-N 3.38Å; A604-R607 WeakPolarHBondContact O-CB 3.26Å; A604-R607 PolarHBondContact O-N 3.01Å; A604-Q608 PolarHBondContact O-N 3.37Å; A604-Q608 VanDerWaalsContact O-N 3.1Å
605	S	77.2	Confident	79.1	Confident	8 Å²	8	45.2 Å²	45.2	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-72.1	-38.6	-179.8	-55.9	0	0	0	0	112.6	Y518 A601 F602 R607 Q608 L609	Y518-S605 WeakPolarHBondContact CD2-OG 3.35Å; Y518-S605 WeakPolarHBondContact CE2-OG 3.14Å; A601-S605 WeakPolarHBondContact O-CB 3.25Å; A601-S605 PolarHBondContact O-N 2.86Å; A601-S605 PolarHBondContact O-OG 2.91Å; F602-S605 PolarHBondContact O-N 2.91Å; F602-S605 VanDerWaalsContact O-N 3.15Å; S605-R607 VanDerWaalsContact C-N 3.32Å; S605-R607 PolarHBondContact O-N 2.88Å; S605-Q608 WeakPolarHBondContact O-CB 3.42Å; S605-Q608 PolarHBondContact O-N 3.4Å; S605-L609 PolarHBondContact O-N 3.03Å
606	L	80	Confident	79.6	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-40.3	172.8	-171.6	62.6	0	0	0	110.7	L393 T396 R397 F602 Q608 L609 E610	L393-L606 HydrophobicContact CD2-CD1 3.93Å; T396-L606 HydrophobicContact CG2-CD1 4.34Å; R397-L606 HydrophobicContact CB-CD2 3.8Å; R397-L606 HydrophobicContact CG-CD2 4.4Å; F602-L606 HydrophobicContact CE1-CB 4.45Å; F602-L606 HydrophobicContact CE1-CD2 4.06Å; F602-L606 WeakPolarHBondContact O-CB 3.35Å; F602-L606 PolarHBondContact O-N 3.12Å; L606-Q608 VanDerWaalsContact C-N 3.32Å; L606-Q608 PolarHBondContact O-N 3.33Å; L606-L609 HydrophobicContact CD1-CD2 4.35Å; L606-L609 WeakPolarHBondContact O-CB 3.38Å; L606-L609 PolarHBondContact O-N 3.19Å; L606-E610 WeakPolarHBondContact O-CB 3.2Å; L606-E610 VanDerWaalsContact O-CG 3.27Å; L606-E610 WeakPolarHBondContact O-CG 3.42Å; L606-E610 PolarHBondContact O-N 3.26Å
607	R	81.6	Confident	79.7	Confident	155 Å²	155	46.2 Å²	46.2	59%	0.585	27%	0.268	S	S	*	.	H	α-helix	trans	-61.7	-37.4	172.9	-73	178	-161.5	112	-1.4	112.8	A603 A604 S605 E610 A611	A603-R607 VanDerWaalsContact O-CG 3.28Å; A603-R607 WeakPolarHBondContact O-CG 3.48Å; A603-R607 PolarHBondContact O-N 3.4Å; A603-R607 VanDerWaalsContact O-N 3.07Å; A604-R607 WeakPolarHBondContact O-CB 3.26Å; A604-R607 PolarHBondContact O-N 3.01Å; S605-R607 VanDerWaalsContact C-N 3.32Å; S605-R607 PolarHBondContact O-N 2.88Å; R607-E610 PolarHBondContact O-N 3.29Å; R607-A611 WeakPolarHBondContact O-CB 3.33Å; R607-A611 PolarHBondContact O-N 2.85Å
608	Q	79.1	Confident	79.9	Confident	123 Å²	123	48.1 Å²	48.1	58%	0.575	27%	0.269	S	S	*	.	H	α-helix	trans	-67	-41.8	175.3	-173.6	-179.9	2.7	0	0	111.5	A604 S605 L606 A611 G612	A604-Q608 PolarHBondContact O-N 3.37Å; A604-Q608 VanDerWaalsContact O-N 3.1Å; S605-Q608 WeakPolarHBondContact O-CB 3.42Å; S605-Q608 PolarHBondContact O-N 3.4Å; L606-Q608 VanDerWaalsContact C-N 3.32Å; L606-Q608 PolarHBondContact O-N 3.33Å; Q608-A611 PolarHBondContact O-N 3.36Å; Q608-G612 PolarHBondContact O-N 3.2Å
609	L	77.8	Confident	80.3	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-44.1	174.1	-173.3	64.5	0	0	0	110.9	L393 L504 S605 L606 A611 G612 H613	L393-L609 HydrophobicContact CD2-CD2 4.32Å; L393-L609 HydrophobicContact CD2-CG 4.47Å; L504-L609 HydrophobicContact CB-CD2 4.21Å; S605-L609 PolarHBondContact O-N 3.03Å; L606-L609 HydrophobicContact CD1-CD2 4.35Å; L606-L609 WeakPolarHBondContact O-CB 3.38Å; L606-L609 PolarHBondContact O-N 3.19Å; L609-A611 PolarHBondContact O-N 2.64Å; L609-G612 PolarHBondContact O-N 3.43Å; L609-H613 PolarHBondContact O-CD2 2.87Å; L609-H613 VanDerWaalsContact O-CD2 3.23Å; L609-H613 PolarHBondContact O-N 3.17Å
610	E	80.3	Confident	80.4	Confident	64 Å²	64	53.6 Å²	53.6	30%	0.299	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-45.4	173.4	-75.5	173.7	175.8	0	0	111.8	L393 L606 R607 G612 H613 S614	L393-E610 HydrophobicContact CB-CG 4.35Å; L393-E610 HydrophobicContact CD1-CG 4.06Å; L393-E610 HydrophobicContact CD2-CG 3.96Å; L393-E610 HydrophobicContact CG-CG 4.34Å; L606-E610 WeakPolarHBondContact O-CB 3.2Å; L606-E610 VanDerWaalsContact O-CG 3.27Å; L606-E610 WeakPolarHBondContact O-CG 3.42Å; L606-E610 PolarHBondContact O-N 3.26Å; R607-E610 PolarHBondContact O-N 3.29Å; E610-G612 PolarHBondContact O-N 3.42Å; E610-H613 CarbonylContact O-C 3.52Å; E610-H613 PolarHBondContact O-N 3.07Å; E610-S614 WeakPolarHBondContact O-CB 3.44Å; E610-S614 PolarHBondContact O-N 3.19Å
611	A	80.1	Confident	80.5	Confident	67 Å²	67	51.9 Å²	51.9	55%	0.554	28%	0.283	S	S	*	.	H	α-helix	trans	-63	-41.7	177.3	0	0	0	0	0	112.1	R607 Q608 L609 H613 S614 G615	R607-A611 WeakPolarHBondContact O-CB 3.33Å; R607-A611 PolarHBondContact O-N 2.85Å; Q608-A611 PolarHBondContact O-N 3.36Å; L609-A611 PolarHBondContact O-N 2.64Å; A611-H613 VanDerWaalsContact C-N 3.33Å; A611-H613 PolarHBondContact O-N 3.2Å; A611-S614 PolarHBondContact O-N 2.98Å; A611-G615 PolarHBondContact O-N 3.18Å
612	G	77.6	Confident	80.8	Confident	28 Å²	28	55.1 Å²	55.1	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-38.5	174.4	0	0	0	0	0	112.8	Q608 L609 E610	Q608-G612 PolarHBondContact O-N 3.2Å; L609-G612 PolarHBondContact O-N 3.43Å; E610-G612 PolarHBondContact O-N 3.42Å
613	H	79.6	Confident	81	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-73.2	-38.4	174.4	-84.5	-75.8	0	0	0	113.2	T389 L393 S507 L609 E610 A611 G615 R616 L617	T389-H613 HydrophobicContact CG2-CB 4.33Å; L393-H613 HydrophobicContact CD1-CB 4.33Å; S507-H613 PolarHBondContact OG-CE1 3.24Å; L609-H613 PolarHBondContact O-CD2 2.87Å; L609-H613 VanDerWaalsContact O-CD2 3.23Å; L609-H613 PolarHBondContact O-N 3.17Å; E610-H613 CarbonylContact O-C 3.52Å; E610-H613 PolarHBondContact O-N 3.07Å; A611-H613 VanDerWaalsContact C-N 3.33Å; A611-H613 PolarHBondContact O-N 3.2Å; H613-G615 PolarHBondContact O-N 3.38Å; H613-R616 PolarHBondContact ND1-NH2 2.81Å; H613-R616 CarbonylContact O-C 3.45Å; H613-R616 PolarHBondContact O-N 2.87Å; H613-R616 VanDerWaalsContact O-N 3.12Å; H613-L617 HydrophobicContact CB-CD1 4.37Å; H613-L617 VanDerWaalsContact O-CB 3.32Å; H613-L617 WeakPolarHBondContact O-CB 3.42Å; H613-L617 WeakPolarHBondContact O-CG 3.47Å; H613-L617 PolarHBondContact O-N 3.43Å
614	S	79.3	Confident	81.1	Confident	55 Å²	55	56.6 Å²	56.6	39%	0.385	30%	0.3	S	S	.	.	H	α-helix	trans	-56.8	-51.5	-179	-164.7	0	0	0	0	110.9	E610 A611 R616 L617 E618	E610-S614 WeakPolarHBondContact O-CB 3.44Å; E610-S614 PolarHBondContact O-N 3.19Å; A611-S614 PolarHBondContact O-N 2.98Å; S614-R616 VanDerWaalsContact C-N 3.29Å; S614-R616 PolarHBondContact O-N 2.92Å; S614-L617 PolarHBondContact O-N 2.88Å; S614-E618 WeakPolarHBondContact O-CG 3.39Å; S614-E618 PolarHBondContact O-N 2.84Å; S614-E618 PolarHBondContact OG-OE1 3.02Å
615	G	77.7	Confident	81.3	Confident	31 Å²	31	56.4 Å²	56.4	32%	0.32	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-31.2	178.2	0	0	0	0	0	113.5	A611 H613 K619	A611-G615 PolarHBondContact O-N 3.18Å; H613-G615 PolarHBondContact O-N 3.38Å; G615-K619 WeakPolarHBondContact O-CG 3.29Å; G615-K619 PolarHBondContact O-N 3.23Å
616	R	83.3	Confident	81.7	Confident	58 Å²	58	60.6 Å²	60.6	22%	0.219	31%	0.309	C	S	.	.	H	α-helix	trans	-71	-42.7	173.8	-169	-176.3	64.1	66.7	-8	111.4	D385 H613 S614 K619 T620	D385-R616 IonicContact OD1-NH2 3.22Å; D385-R616 PolarHBondContact OD1-NH2 3.2Å; D385-R616 IonicContact OD2-CZ 3.65Å; D385-R616 VanDerWaalsContact OD2-CZ 3.27Å; D385-R616 IonicContact OD2-NH1 2.73Å; D385-R616 PolarHBondContact OD2-NH1 2.85Å; D385-R616 IonicContact OD2-NH2 3.29Å; D385-R616 PolarHBondContact OD2-NH2 2.62Å; H613-R616 PolarHBondContact ND1-NH2 2.81Å; H613-R616 CarbonylContact O-C 3.45Å; H613-R616 PolarHBondContact O-N 2.87Å; H613-R616 VanDerWaalsContact O-N 3.12Å; S614-R616 VanDerWaalsContact C-N 3.29Å; S614-R616 PolarHBondContact O-N 2.92Å; R616-K619 PolarHBondContact O-N 3.1Å; R616-T620 WeakPolarHBondContact O-CB 3.18Å; R616-T620 PolarHBondContact O-N 3.46Å; R616-T620 PolarHBondContact O-OG1 2.69Å
617	L	82.3	Confident	82	Confident	20 Å²	20	60.4 Å²	60.4	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-68.6	-40.3	-179.7	-69.9	171.7	0	0	0	111	L386 T389 P390 H613 S614 K619 T620 E621	L386-L617 HydrophobicContact CD2-CB 4.07Å; L386-L617 HydrophobicContact CD2-CD2 4.05Å; L386-L617 WeakPolarHBondContact CD2-O 3.24Å; T389-L617 HydrophobicContact CG2-CD1 4.09Å; P390-L617 HydrophobicContact CG-CD1 4.12Å; H613-L617 HydrophobicContact CB-CD1 4.37Å; H613-L617 VanDerWaalsContact O-CB 3.32Å; H613-L617 WeakPolarHBondContact O-CB 3.42Å; H613-L617 WeakPolarHBondContact O-CG 3.47Å; H613-L617 PolarHBondContact O-N 3.43Å; S614-L617 PolarHBondContact O-N 2.88Å; L617-K619 PolarHBondContact O-N 3.34Å; L617-T620 CarbonylContact O-C 3.57Å; L617-T620 WeakPolarHBondContact O-CA 3.25Å; L617-T620 WeakPolarHBondContact O-CB 3.34Å; L617-T620 PolarHBondContact O-N 3.06Å; L617-T620 VanDerWaalsContact O-N 3.1Å; L617-E621 WeakPolarHBondContact O-CB 3.39Å; L617-E621 PolarHBondContact O-N 2.87Å
618	E	84.4	Confident	82.1	Confident	114 Å²	114	53.6 Å²	53.6	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-58	-49.4	172.8	-75.5	167.5	-154.4	0	0	111.4	S614 T620 E621 D622	S614-E618 WeakPolarHBondContact O-CG 3.39Å; S614-E618 PolarHBondContact O-N 2.84Å; S614-E618 PolarHBondContact OG-OE1 3.02Å; E618-T620 VanDerWaalsContact C-N 3.26Å; E618-T620 PolarHBondContact O-N 3.31Å; E618-E621 PolarHBondContact O-N 2.81Å; E618-D622 PolarHBondContact O-N 2.96Å
619	K	83.1	Confident	82.3	Confident	157 Å²	157	54.9 Å²	54.9	68%	0.683	29%	0.286	S	S	*	.	H	α-helix	trans	-60.1	-38.2	173.9	-70.6	176.6	-176.8	-177.3	0	112.3	G615 R616 L617 L623	G615-K619 WeakPolarHBondContact O-CG 3.29Å; G615-K619 PolarHBondContact O-N 3.23Å; R616-K619 PolarHBondContact O-N 3.1Å; L617-K619 PolarHBondContact O-N 3.34Å; K619-L623 VanDerWaalsContact O-CB 3.31Å; K619-L623 WeakPolarHBondContact O-CB 3.25Å; K619-L623 PolarHBondContact O-N 3.48Å
620	T	82.1	Confident	82.7	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.043	30%	0.301	C	S	.	.	H	α-helix	trans	-66.8	-39.3	177.7	-56.6	0	0	0	0	110.8	M382 L386 R616 L617 E618 L623 W624	M382-T620 HydrophobicContact CB-CG2 3.77Å; M382-T620 HydrophobicContact CG-CG2 3.8Å; L386-T620 HydrophobicContact CD2-CG2 4.48Å; L386-T620 HydrophobicContact CG-CG2 4.29Å; R616-T620 WeakPolarHBondContact O-CB 3.18Å; R616-T620 PolarHBondContact O-N 3.46Å; R616-T620 PolarHBondContact O-OG1 2.69Å; L617-T620 CarbonylContact O-C 3.57Å; L617-T620 WeakPolarHBondContact O-CA 3.25Å; L617-T620 WeakPolarHBondContact O-CB 3.34Å; L617-T620 PolarHBondContact O-N 3.06Å; L617-T620 VanDerWaalsContact O-N 3.1Å; E618-T620 VanDerWaalsContact C-N 3.26Å; E618-T620 PolarHBondContact O-N 3.31Å; T620-L623 PolarHBondContact O-N 3.17Å; T620-W624 WeakPolarHBondContact O-CB 3.42Å; T620-W624 PolarHBondContact O-N 3.07Å
621	E	84.4	Confident	83.1	Confident	96 Å²	96	55 Å²	55	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-45.7	176	-174.6	173.3	-166.6	0	0	111.5	L386 L617 E618 L623 W624 L625	L386-E621 HydrophobicContact CD1-CB 4.15Å; L386-E621 HydrophobicContact CD1-CG 4.5Å; L386-E621 HydrophobicContact CD2-CB 3.97Å; L617-E621 WeakPolarHBondContact O-CB 3.39Å; L617-E621 PolarHBondContact O-N 2.87Å; E618-E621 PolarHBondContact O-N 2.81Å; E621-L623 VanDerWaalsContact C-N 3.33Å; E621-L623 PolarHBondContact O-N 3.16Å; E621-W624 HydrophobicContact CG-CE3 4.49Å; E621-W624 PolarHBondContact O-N 2.89Å; E621-L625 HydrophobicContact CG-CD1 4.2Å; E621-L625 WeakPolarHBondContact O-CB 3.48Å; E621-L625 VanDerWaalsContact O-CG 3.26Å; E621-L625 WeakPolarHBondContact O-CG 3.37Å; E621-L625 PolarHBondContact O-N 3.02Å
622	D	85.3	Confident	83.6	Confident	96 Å²	96	51.8 Å²	51.8	51%	0.513	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-44.2	175.1	-81.3	-17.4	0	0	0	111.9	E618 L625 K626	E618-D622 PolarHBondContact O-N 2.96Å; D622-L625 WeakPolarHBondContact O-CB 3.46Å; D622-L625 PolarHBondContact O-N 3.16Å; D622-K626 WeakPolarHBondContact O-CG 3.42Å; D622-K626 PolarHBondContact O-N 3.38Å
623	L	83.1	Confident	84.3	Confident	32 Å²	32	50.6 Å²	50.6	17%	0.168	25%	0.25	C	C	.	.	H	α-helix	trans	-67	-46.1	178.5	-170.5	56.9	0	0	0	111.3	Q92 L93 M382 K619 T620 E621 L625 K626 V627	Q92-L623 HydrophobicContact CB-CD2 4.38Å; L93-L623 HydrophobicContact CD1-CD1 3.51Å; L93-L623 HydrophobicContact CD1-CG 4.22Å; L93-L623 HydrophobicContact CG-CD1 4.26Å; L93-L623 HydrophobicContact CG-CD2 4.45Å; M382-L623 HydrophobicContact CE-CB 4.27Å; M382-L623 HydrophobicContact CE-CD2 3.37Å; M382-L623 HydrophobicContact CE-CG 3.7Å; M382-L623 HydrophobicContact SD-CG 4.4Å; K619-L623 VanDerWaalsContact O-CB 3.31Å; K619-L623 WeakPolarHBondContact O-CB 3.25Å; K619-L623 PolarHBondContact O-N 3.48Å; T620-L623 PolarHBondContact O-N 3.17Å; E621-L623 VanDerWaalsContact C-N 3.33Å; E621-L623 PolarHBondContact O-N 3.16Å; L623-L625 VanDerWaalsContact C-N 3.28Å; L623-L625 PolarHBondContact O-N 3.39Å; L623-K626 PolarHBondContact O-N 2.81Å; L623-K626 VanDerWaalsContact O-N 3.16Å; L623-V627 WeakPolarHBondContact O-CG2 3.44Å; L623-V627 PolarHBondContact O-N 3.02Å
624	W	84.8	Confident	84.9	Confident	18 Å²	18	53.8 Å²	53.8	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-41.1	173.9	171	81.7	0	0	0	111.6	M382 T620 E621 V627 R628 A805	M382-W624 HydrophobicContact CB-CB 4.12Å; M382-W624 HydrophobicContact CB-CG 4.45Å; M382-W624 HydrophobicContact SD-CB 4.01Å; T620-W624 WeakPolarHBondContact O-CB 3.42Å; T620-W624 PolarHBondContact O-N 3.07Å; E621-W624 HydrophobicContact CG-CE3 4.49Å; E621-W624 PolarHBondContact O-N 2.89Å; W624-V627 PolarHBondContact O-N 3.22Å; W624-R628 VanDerWaalsContact CH2-NH2 3.29Å; W624-R628 VanDerWaalsContact CZ2-CZ 3.46Å; W624-R628 VanDerWaalsContact CZ3-NH2 3.31Å; W624-R628 WeakPolarHBondContact O-CB 3.33Å; W624-R628 PolarHBondContact O-N 3.33Å; W624-A805 WeakPolarHBondContact CZ2-O 3.39Å; W624-A805 PolarHBondContact NE1-O 3.43Å
625	L	84.3	Confident	85.7	Confident	46 Å²	46	51.2 Å²	51.2	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-44.9	174.9	-80.9	167.9	0	0	0	112.1	E621 D622 L623 R628 K629	E621-L625 HydrophobicContact CG-CD1 4.2Å; E621-L625 WeakPolarHBondContact O-CB 3.48Å; E621-L625 VanDerWaalsContact O-CG 3.26Å; E621-L625 WeakPolarHBondContact O-CG 3.37Å; E621-L625 PolarHBondContact O-N 3.02Å; D622-L625 WeakPolarHBondContact O-CB 3.46Å; D622-L625 PolarHBondContact O-N 3.16Å; L623-L625 VanDerWaalsContact C-N 3.28Å; L623-L625 PolarHBondContact O-N 3.39Å; L625-R628 PolarHBondContact O-N 3.46Å; L625-K629 HydrophobicContact CD2-CD 4.35Å; L625-K629 VanDerWaalsContact O-CB 3.29Å; L625-K629 WeakPolarHBondContact O-CB 3.4Å; L625-K629 PolarHBondContact O-N 3.25Å
626	K	85.6	Confident	86.5	Confident	97 Å²	97	49.8 Å²	49.8	42%	0.422	23%	0.228	S	C	.	.	H	α-helix	trans	-64	-48.7	176.7	-73.5	174.6	-177.7	175.9	0	111.9	D622 L623 R628 K629 D630 H631	D622-K626 WeakPolarHBondContact O-CG 3.42Å; D622-K626 PolarHBondContact O-N 3.38Å; L623-K626 PolarHBondContact O-N 2.81Å; L623-K626 VanDerWaalsContact O-N 3.16Å; K626-R628 VanDerWaalsContact C-N 3.27Å; K626-R628 PolarHBondContact O-N 2.91Å; K626-K629 PolarHBondContact O-N 3.48Å; K626-D630 WeakPolarHBondContact O-CB 3.29Å; K626-D630 PolarHBondContact O-N 2.84Å; K626-H631 PolarHBondContact O-N 2.77Å; K626-H631 VanDerWaalsContact O-N 3.13Å
627	V	85.8	Confident	87	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-54.9	-48.7	176.7	172	0	0	0	0	110.2	L93 F375 A379 L623 W624 A632	L93-V627 HydrophobicContact CD1-CG2 3.91Å; L93-V627 HydrophobicContact CD2-CG2 4.21Å; F375-V627 HydrophobicContact CB-CG1 3.99Å; F375-V627 HydrophobicContact CD1-CG1 3.78Å; F375-V627 HydrophobicContact CD1-CG2 4.2Å; F375-V627 HydrophobicContact CG-CG1 4.28Å; A379-V627 HydrophobicContact CB-CG1 4.15Å; L623-V627 WeakPolarHBondContact O-CG2 3.44Å; L623-V627 PolarHBondContact O-N 3.02Å; W624-V627 PolarHBondContact O-N 3.22Å; V627-A632 VanDerWaalsContact O-CB 3.27Å; V627-A632 WeakPolarHBondContact O-CB 3.44Å; V627-A632 PolarHBondContact O-N 3.31Å
628	R	84.1	Confident	87.7	Confident	11 Å²	11	50 Å²	50	4%	0.042	23%	0.229	C	C	.	.	I	π-helix	trans	-71.1	-40.6	-175	-177.9	176.8	69.4	159.8	-4.5	114.7	W624 L625 K626 P633 M806 M807	W624-R628 VanDerWaalsContact CH2-NH2 3.29Å; W624-R628 VanDerWaalsContact CZ2-CZ 3.46Å; W624-R628 VanDerWaalsContact CZ3-NH2 3.31Å; W624-R628 WeakPolarHBondContact O-CB 3.33Å; W624-R628 PolarHBondContact O-N 3.33Å; L625-R628 PolarHBondContact O-N 3.46Å; K626-R628 VanDerWaalsContact C-N 3.27Å; K626-R628 PolarHBondContact O-N 2.91Å; R628-P633 WeakPolarHBondContact O-CD 3.41Å; R628-P633 VanDerWaalsContact O-CG 3.3Å; R628-P633 WeakPolarHBondContact O-CG 3.31Å; R628-M806 HydrophobicContact CB-CE 3.69Å; R628-M806 HydrophobicContact CB-SD 4.17Å; R628-M806 WeakPolarHBondContact CD-O 3.28Å; R628-M806 HydrophobicContact CG-CB 4.48Å; R628-M806 HydrophobicContact CG-CE 3.73Å; R628-M806 HydrophobicContact CG-SD 3.88Å; R628-M807 VanDerWaalsContact NH1-C 3.32Å; R628-M807 PolarHBondContact NH1-O 3.3Å
629	K	84.4	Confident	88.3	Confident	151 Å²	151	44.6 Å²	44.6	66%	0.657	20%	0.204	S	C	*	.	I	π-helix	trans	-96.7	-24.1	-171.3	-69.4	-175.2	174	178.4	0	113.9	L625 K626	L625-K629 HydrophobicContact CD2-CD 4.35Å; L625-K629 VanDerWaalsContact O-CB 3.29Å; L625-K629 WeakPolarHBondContact O-CB 3.4Å; L625-K629 PolarHBondContact O-N 3.25Å; K626-K629 PolarHBondContact O-N 3.48Å
630	D	84.9	Confident	88.9	Confident	63 Å²	63	37.1 Å²	37.1	34%	0.337	17%	0.171	S	C	.	.	I	π-helix	trans	-119.4	-61.1	-174.2	-178.9	23.4	0	0	0	111	K626 R634	K626-D630 WeakPolarHBondContact O-CB 3.29Å; K626-D630 PolarHBondContact O-N 2.84Å; D630-R634 WeakPolarHBondContact O-CB 3.27Å; D630-R634 WeakPolarHBondContact O-CD 3.25Å; D630-R634 VanDerWaalsContact O-CG 3.25Å; D630-R634 WeakPolarHBondContact O-CG 3.39Å; D630-R634 PolarHBondContact O-N 3.47Å; D630-R634 WeakPolarHBondContact OD1-CD 3.48Å; D630-R634 IonicContact OD1-CZ 3.18Å; D630-R634 IonicContact OD1-NE 2.67Å; D630-R634 IonicContact OD1-NH1 3.26Å; D630-R634 PolarHBondContact OD1-NH1 3.38Å; D630-R634 VanDerWaalsContact OD1-NH1 3.12Å; D630-R634 IonicContact OD2-NH1 3.79Å
631	H	89.8	Confident	89.6	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.028	18%	0.176	C	C	.	.	I	π-helix	trans	-72	-52.3	-168	-55.2	-27.5	0	0	0	114	F53 F375 K626 R634 L635	F53-H631 HydrophobicContact CE2-CB 4.36Å; F53-H631 WeakPolarHBondContact CE2-O 3.15Å; F53-H631 HydrophobicContact CZ-CB 4.3Å; F375-H631 HydrophobicContact CE1-CB 4.17Å; F375-H631 HydrophobicContact CZ-CB 4.22Å; K626-H631 PolarHBondContact O-N 2.77Å; K626-H631 VanDerWaalsContact O-N 3.13Å; H631-R634 PolarHBondContact O-N 2.85Å; H631-L635 WeakPolarHBondContact O-CB 3.4Å; H631-L635 PolarHBondContact O-N 2.63Å
632	A	90.9	Very high	90.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-45.9	-177.9	0	0	0	0	0	112.6	L372 V627 R634 L635 A636 L698	L372-A632 HydrophobicContact CD1-CB 3.75Å; L372-A632 WeakPolarHBondContact CD1-O 3.45Å; V627-A632 VanDerWaalsContact O-CB 3.27Å; V627-A632 WeakPolarHBondContact O-CB 3.44Å; V627-A632 PolarHBondContact O-N 3.31Å; A632-R634 PolarHBondContact O-N 3.23Å; A632-L635 PolarHBondContact O-N 3.04Å; A632-A636 VanDerWaalsContact O-CB 3.29Å; A632-A636 WeakPolarHBondContact O-CB 3.25Å; A632-A636 PolarHBondContact O-N 3.43Å; A632-L698 HydrophobicContact CB-CD1 4.45Å
633	P	91.5	Very high	90.6	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-40.4	177.2	-22.7	34.4	0	0	0	113.6	R628 A636 R637 N694 L698	R628-P633 WeakPolarHBondContact O-CD 3.41Å; R628-P633 VanDerWaalsContact O-CG 3.3Å; R628-P633 WeakPolarHBondContact O-CG 3.31Å; P633-A636 PolarHBondContact O-N 2.99Å; P633-R637 PolarHBondContact O-N 2.83Å; P633-N694 HydrophobicContact CB-CB 3.6Å; P633-L698 HydrophobicContact CG-CD2 4.33Å
634	R	92.9	Very high	91.2	Very high	68 Å²	68	30.3 Å²	30.3	26%	0.257	13%	0.133	S	C	.	.	H	α-helix	trans	-65.3	-42.3	176.5	-75.7	171.1	65.8	-167.7	-1.4	112.3	F53 D56 D630 H631 A632 A636 R637 L638	F53-R634 HydrophobicContact CD2-CB 4.29Å; F53-R634 HydrophobicContact CE2-CB 4.13Å; D56-R634 IonicContact OD2-NH2 3.77Å; D56-R634 PolarHBondContact OD2-NH2 3.36Å; D630-R634 WeakPolarHBondContact O-CB 3.27Å; D630-R634 WeakPolarHBondContact O-CD 3.25Å; D630-R634 VanDerWaalsContact O-CG 3.25Å; D630-R634 WeakPolarHBondContact O-CG 3.39Å; D630-R634 PolarHBondContact O-N 3.47Å; D630-R634 WeakPolarHBondContact OD1-CD 3.48Å; D630-R634 IonicContact OD1-CZ 3.18Å; D630-R634 IonicContact OD1-NE 2.67Å; D630-R634 IonicContact OD1-NH1 3.26Å; D630-R634 PolarHBondContact OD1-NH1 3.38Å; D630-R634 VanDerWaalsContact OD1-NH1 3.12Å; D630-R634 IonicContact OD2-NH1 3.79Å; H631-R634 PolarHBondContact O-N 2.85Å; A632-R634 PolarHBondContact O-N 3.23Å; R634-A636 VanDerWaalsContact C-N 3.35Å; R634-R637 WeakPolarHBondContact O-CB 3.27Å; R634-R637 PolarHBondContact O-N 3Å; R634-L638 PolarHBondContact O-N 3.23Å
635	L	94.6	Very high	91.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.9	-37.1	176	-174.7	60.5	0	0	0	111.7	F53 H368 C371 L372 F375 H631 A632 R637 L638 S639	F53-L635 HydrophobicContact CD1-CD1 4.12Å; F53-L635 HydrophobicContact CE1-CB 4.03Å; F53-L635 HydrophobicContact CE1-CD1 3.82Å; F53-L635 HydrophobicContact CE1-CD2 4.1Å; F53-L635 HydrophobicContact CE1-CG 4.2Å; F53-L635 HydrophobicContact CE2-CB 4.18Å; F53-L635 HydrophobicContact CZ-CB 3.66Å; F53-L635 HydrophobicContact CZ-CD1 4.35Å; F53-L635 HydrophobicContact CZ-CD2 4.3Å; F53-L635 HydrophobicContact CZ-CG 4.32Å; H368-L635 HydrophobicContact CB-CD1 4.31Å; C371-L635 HydrophobicContact CB-CD2 3.65Å; L372-L635 HydrophobicContact CB-CD2 3.99Å; L372-L635 HydrophobicContact CB-CG 4.42Å; L372-L635 HydrophobicContact CD1-CB 4.49Å; F375-L635 HydrophobicContact CD2-CD2 3.8Å; F375-L635 HydrophobicContact CE2-CD2 3.85Å; H631-L635 WeakPolarHBondContact O-CB 3.4Å; H631-L635 PolarHBondContact O-N 2.63Å; A632-L635 PolarHBondContact O-N 3.04Å; L635-R637 VanDerWaalsContact C-N 3.27Å; L635-R637 PolarHBondContact O-N 2.62Å; L635-L638 HydrophobicContact CD1-CD1 4.36Å; L635-L638 PolarHBondContact O-N 2.77Å; L635-S639 PolarHBondContact O-N 3.44Å
636	A	94.8	Very high	92.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-38	174.3	0	0	0	0	0	111.7	L372 A632 P633 R634 S639 L640 A697 L698	L372-A636 HydrophobicContact CD2-CB 3.7Å; A632-A636 VanDerWaalsContact O-CB 3.29Å; A632-A636 WeakPolarHBondContact O-CB 3.25Å; A632-A636 PolarHBondContact O-N 3.43Å; P633-A636 PolarHBondContact O-N 2.99Å; R634-A636 VanDerWaalsContact C-N 3.35Å; A636-S639 VanDerWaalsContact O-CB 3.31Å; A636-S639 WeakPolarHBondContact O-CB 3.28Å; A636-S639 PolarHBondContact O-N 3.5Å; A636-L640 WeakPolarHBondContact O-CB 3.46Å; A636-L640 PolarHBondContact O-N 3.37Å; A636-A697 HydrophobicContact CB-CB 4.19Å; A636-L698 HydrophobicContact CB-CB 4.02Å; A636-L698 HydrophobicContact CB-CD1 3.96Å
637	R	95.2	Very high	92.7	Very high	68 Å²	68	23.9 Å²	23.9	26%	0.257	10%	0.104	S	C	.	.	H	α-helix	trans	-58.9	-49.5	171.3	172.5	179.6	-178.8	169.4	0.7	112.3	P633 R634 L635 S639 L640 E641 E690 N694 A697	P633-R637 PolarHBondContact O-N 2.83Å; R634-R637 WeakPolarHBondContact O-CB 3.27Å; R634-R637 PolarHBondContact O-N 3Å; L635-R637 VanDerWaalsContact C-N 3.27Å; L635-R637 PolarHBondContact O-N 2.62Å; R637-S639 VanDerWaalsContact C-N 3.25Å; R637-S639 PolarHBondContact O-N 3.38Å; R637-L640 PolarHBondContact O-N 3.12Å; R637-E641 IonicContact CZ-OE1 3.27Å; R637-E641 IonicContact NE-OE1 3Å; R637-E641 PolarHBondContact NE-OE1 3.26Å; R637-E641 IonicContact NH2-OE1 2.62Å; R637-E641 WeakPolarHBondContact O-CG 3.5Å; R637-E641 PolarHBondContact O-N 3.37Å; R637-E690 IonicContact NH1-OE1 3.98Å; R637-N694 VanDerWaalsContact CD-OD1 3.28Å; R637-N694 WeakPolarHBondContact CD-OD1 3.41Å; R637-A697 VanDerWaalsContact CA-CB 3.45Å; R637-A697 HydrophobicContact CB-CB 4.09Å
638	L	96.4	Very high	93	Very high	14 Å²	14	24.2 Å²	24.2	7%	0.073	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-38.1	177.5	-64.6	172	0	0	0	111.5	N46 E49 F53 H368 R634 L635 E641 S642	N46-L638 PolarHBondContact ND2-O 2.94Å; E49-L638 HydrophobicContact CB-CD2 3.65Å; F53-L638 HydrophobicContact CB-CD1 4.05Å; F53-L638 HydrophobicContact CG-CD1 4.33Å; H368-L638 PolarHBondContact CE1-O 3.49Å; H368-L638 PolarHBondContact ND1-O 3.24Å; H368-L638 VanDerWaalsContact ND1-O 3.1Å; R634-L638 PolarHBondContact O-N 3.23Å; L635-L638 HydrophobicContact CD1-CD1 4.36Å; L635-L638 PolarHBondContact O-N 2.77Å; L638-E641 PolarHBondContact O-N 3.07Å; L638-S642 PolarHBondContact O-N 3.46Å; L638-S642 PolarHBondContact O-OG 3.23Å
639	S	96.4	Very high	93.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-49	172.4	-171.8	0	0	0	0	112	N365 H368 L635 A636 R637 E641 S642 R643	N365-S639 PolarHBondContact ND2-O 3.45Å; N365-S639 PolarHBondContact ND2-OG 3.08Å; H368-S639 WeakPolarHBondContact ND1-CA 3.34Å; H368-S639 PolarHBondContact ND1-N 3.33Å; L635-S639 PolarHBondContact O-N 3.44Å; A636-S639 VanDerWaalsContact O-CB 3.31Å; A636-S639 WeakPolarHBondContact O-CB 3.28Å; A636-S639 PolarHBondContact O-N 3.5Å; R637-S639 VanDerWaalsContact C-N 3.25Å; R637-S639 PolarHBondContact O-N 3.38Å; S639-E641 VanDerWaalsContact C-N 3.32Å; S639-E641 PolarHBondContact O-N 3.33Å; S639-S642 PolarHBondContact O-N 3.49Å; S639-S642 PolarHBondContact O-OG 3.37Å; S639-S642 VanDerWaalsContact O-OG 3.09Å; S639-R643 VanDerWaalsContact O-CB 3.3Å; S639-R643 WeakPolarHBondContact O-CB 3.29Å; S639-R643 PolarHBondContact O-N 2.91Å
640	L	95.9	Very high	93.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-41.7	176.9	175.1	64.8	0	0	0	111.3	A636 R637 S644 A697 F700 I720 V732	A636-L640 WeakPolarHBondContact O-CB 3.46Å; A636-L640 PolarHBondContact O-N 3.37Å; R637-L640 PolarHBondContact O-N 3.12Å; L640-S644 WeakPolarHBondContact O-CB 3.26Å; L640-S644 PolarHBondContact O-N 3.29Å; L640-A697 HydrophobicContact CB-CB 4.02Å; L640-A697 HydrophobicContact CD2-CB 3.86Å; L640-F700 HydrophobicContact CB-CD1 4.4Å; L640-F700 HydrophobicContact CD1-CB 4.35Å; L640-F700 HydrophobicContact CD1-CD1 3.47Å; L640-F700 VanDerWaalsContact CD1-CD1 3.47Å; L640-F700 HydrophobicContact CD1-CD2 4.21Å; L640-F700 HydrophobicContact CD1-CE1 3.72Å; L640-F700 HydrophobicContact CD1-CE2 4.43Å; L640-F700 HydrophobicContact CD1-CG 3.73Å; L640-F700 HydrophobicContact CD1-CZ 4.2Å; L640-F700 HydrophobicContact CG-CD1 4.48Å; L640-I720 HydrophobicContact CG-CD1 4.29Å; L640-V732 HydrophobicContact CD1-CG1 4.32Å; L640-V732 HydrophobicContact CD2-CG1 4.15Å; L640-V732 HydrophobicContact CD2-CG2 4.08Å
641	E	96	Very high	94	Very high	30 Å²	30	18.2 Å²	18.2	14%	0.14	8%	0.08	C	C	.	.	H	α-helix	trans	-65.1	-42.9	178.1	-73	176.1	-169.4	0	0	112.3	N46 R637 L638 S639 L645 I720	N46-E641 WeakPolarHBondContact ND2-CB 3.41Å; R637-E641 IonicContact CZ-OE1 3.27Å; R637-E641 IonicContact NE-OE1 3Å; R637-E641 PolarHBondContact NE-OE1 3.26Å; R637-E641 IonicContact NH2-OE1 2.62Å; R637-E641 WeakPolarHBondContact O-CG 3.5Å; R637-E641 PolarHBondContact O-N 3.37Å; L638-E641 PolarHBondContact O-N 3.07Å; S639-E641 VanDerWaalsContact C-N 3.32Å; S639-E641 PolarHBondContact O-N 3.33Å; E641-L645 WeakPolarHBondContact O-CB 3.18Å; E641-L645 PolarHBondContact O-N 3.23Å; E641-I720 HydrophobicContact CB-CD1 4.21Å; E641-I720 HydrophobicContact CG-CD1 3.64Å
642	S	96.3	Very high	94	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.6	-37.6	178.7	61.5	0	0	0	0	111.5	N46 N365 H368 L638 S639 L645 Q646	N46-S642 PolarHBondContact ND2-N 3.46Å; N365-S642 VanDerWaalsContact CA-OG 3.28Å; N365-S642 WeakPolarHBondContact CA-OG 3.41Å; N365-S642 WeakPolarHBondContact CB-OG 3.44Å; N365-S642 PolarHBondContact ND2-OG 3.45Å; H368-S642 PolarHBondContact ND1-OG 3.48Å; L638-S642 PolarHBondContact O-N 3.46Å; L638-S642 PolarHBondContact O-OG 3.23Å; S639-S642 PolarHBondContact O-N 3.49Å; S639-S642 PolarHBondContact O-OG 3.37Å; S639-S642 VanDerWaalsContact O-OG 3.09Å; S642-L645 PolarHBondContact O-N 2.84Å; S642-Q646 PolarHBondContact O-N 3.07Å; S642-Q646 VanDerWaalsContact O-N 3.09Å
643	R	95.1	Very high	93.9	Very high	53 Å²	53	27 Å²	27	20%	0.2	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-46.9	173.8	178.7	53.5	-173.7	-163.3	3.1	112	S639 L645 Q646 D647 F700	S639-R643 VanDerWaalsContact O-CB 3.3Å; S639-R643 WeakPolarHBondContact O-CB 3.29Å; S639-R643 PolarHBondContact O-N 2.91Å; R643-L645 PolarHBondContact O-N 3.12Å; R643-Q646 WeakPolarHBondContact O-CB 3.27Å; R643-Q646 PolarHBondContact O-N 3.45Å; R643-Q646 VanDerWaalsContact O-N 3.11Å; R643-D647 IonicContact CZ-OD1 3.33Å; R643-D647 IonicContact CZ-OD2 2.88Å; R643-D647 VanDerWaalsContact NE-CG 3.32Å; R643-D647 IonicContact NE-OD1 3.12Å; R643-D647 PolarHBondContact NE-OD1 2.69Å; R643-D647 IonicContact NE-OD2 3.53Å; R643-D647 PolarHBondContact NE-OD2 3.06Å; R643-D647 VanDerWaalsContact NE-OD2 3.1Å; R643-D647 IonicContact NH1-OD1 3.93Å; R643-D647 IonicContact NH2-OD1 2.65Å; R643-D647 PolarHBondContact NH2-OD1 3.25Å; R643-D647 IonicContact NH2-OD2 2.76Å; R643-D647 PolarHBondContact O-N 3Å; R643-F700 HydrophobicContact CB-CE1 4.45Å; R643-F700 HydrophobicContact CG-CE1 4.09Å; R643-F700 HydrophobicContact CG-CZ 4.12Å
644	S	96.1	Very high	93.9	Very high	4 Å²	4	27 Å²	27	3%	0.028	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-38.5	177	167.1	0	0	0	0	111.5	L640 Q646 D647 V648 S718 V719 I720	L640-S644 WeakPolarHBondContact O-CB 3.26Å; L640-S644 PolarHBondContact O-N 3.29Å; S644-Q646 VanDerWaalsContact C-N 3.35Å; S644-D647 PolarHBondContact O-N 3.19Å; S644-V648 WeakPolarHBondContact O-CB 3.4Å; S644-V648 VanDerWaalsContact O-CG2 3.27Å; S644-V648 WeakPolarHBondContact O-CG2 3.45Å; S644-V648 PolarHBondContact O-N 3.15Å; S644-S718 WeakPolarHBondContact CA-O 3.29Å; S644-V719 WeakPolarHBondContact OG-CA 3.46Å; S644-I720 PolarHBondContact OG-N 3.31Å
645	L	95.8	Very high	93.8	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.052	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-46.4	176	-178.8	60.4	0	0	0	110.6	Y39 L43 A361 E641 S642 R643 V648 L649	Y39-L645 HydrophobicContact CD1-CD1 3.52Å; Y39-L645 HydrophobicContact CE1-CD1 4.35Å; Y39-L645 HydrophobicContact CG-CD1 4.11Å; L43-L645 HydrophobicContact CB-CD2 3.82Å; L43-L645 HydrophobicContact CD1-CD2 4.08Å; A361-L645 HydrophobicContact CB-CB 4.5Å; A361-L645 HydrophobicContact CB-CD2 4.23Å; A361-L645 HydrophobicContact CB-CG 4.26Å; E641-L645 WeakPolarHBondContact O-CB 3.18Å; E641-L645 PolarHBondContact O-N 3.23Å; S642-L645 PolarHBondContact O-N 2.84Å; R643-L645 PolarHBondContact O-N 3.12Å; L645-V648 PolarHBondContact O-N 3.31Å; L645-L649 HydrophobicContact CD1-CD1 4.1Å; L645-L649 HydrophobicContact CD1-CG 4.32Å; L645-L649 HydrophobicContact CG-CD1 3.9Å; L645-L649 WeakPolarHBondContact O-CB 3.45Å; L645-L649 WeakPolarHBondContact O-CD1 3.39Å; L645-L649 WeakPolarHBondContact O-CG 3.2Å; L645-L649 PolarHBondContact O-N 3.11Å
646	Q	94.9	Very high	93.6	Very high	16 Å²	16	35 Å²	35	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-56.9	-50.5	175.1	-173.1	-172.1	21.8	0	0	111.9	V358 A361 S642 R643 S644 V648 L649 L650	V358-Q646 HydrophobicContact CG1-CG 4.44Å; A361-Q646 HydrophobicContact CB-CB 4.12Å; S642-Q646 PolarHBondContact O-N 3.07Å; S642-Q646 VanDerWaalsContact O-N 3.09Å; R643-Q646 WeakPolarHBondContact O-CB 3.27Å; R643-Q646 PolarHBondContact O-N 3.45Å; R643-Q646 VanDerWaalsContact O-N 3.11Å; S644-Q646 VanDerWaalsContact C-N 3.35Å; Q646-V648 PolarHBondContact O-N 3.14Å; Q646-L649 PolarHBondContact O-N 2.88Å; Q646-L650 HydrophobicContact CG-CD1 3.98Å; Q646-L650 WeakPolarHBondContact O-CG 3.39Å; Q646-L650 PolarHBondContact O-N 3.25Å
647	D	94.4	Very high	93.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-42.7	-178.1	-77.6	-17	0	0	0	112	R643 S644 L649 L650 H651 W674 S718	R643-D647 IonicContact CZ-OD1 3.33Å; R643-D647 IonicContact CZ-OD2 2.88Å; R643-D647 VanDerWaalsContact NE-CG 3.32Å; R643-D647 IonicContact NE-OD1 3.12Å; R643-D647 PolarHBondContact NE-OD1 2.69Å; R643-D647 IonicContact NE-OD2 3.53Å; R643-D647 PolarHBondContact NE-OD2 3.06Å; R643-D647 VanDerWaalsContact NE-OD2 3.1Å; R643-D647 IonicContact NH1-OD1 3.93Å; R643-D647 IonicContact NH2-OD1 2.65Å; R643-D647 PolarHBondContact NH2-OD1 3.25Å; R643-D647 IonicContact NH2-OD2 2.76Å; R643-D647 PolarHBondContact O-N 3Å; S644-D647 PolarHBondContact O-N 3.19Å; D647-L649 VanDerWaalsContact C-N 3.35Å; D647-L650 PolarHBondContact O-N 3.14Å; D647-H651 PolarHBondContact O-N 3.38Å; D647-W674 HydrophobicContact CB-CH2 3.84Å; D647-W674 HydrophobicContact CB-CZ2 4.08Å; D647-S718 VanDerWaalsContact CB-O 3.28Å; D647-S718 WeakPolarHBondContact CB-O 3.4Å; D647-S718 PolarHBondContact OD2-N 2.89Å
648	V	93.8	Very high	93.3	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-37.9	175.6	171.6	0	0	0	0	111.9	Y39 S644 L645 Q646 R652 V719	Y39-V648 HydrophobicContact CE1-CG1 3.82Å; Y39-V648 VanDerWaalsContact OH-CG1 3.24Å; Y39-V648 WeakPolarHBondContact OH-CG1 3.48Å; S644-V648 WeakPolarHBondContact O-CB 3.4Å; S644-V648 VanDerWaalsContact O-CG2 3.27Å; S644-V648 WeakPolarHBondContact O-CG2 3.45Å; S644-V648 PolarHBondContact O-N 3.15Å; L645-V648 PolarHBondContact O-N 3.31Å; Q646-V648 PolarHBondContact O-N 3.14Å; V648-R652 WeakPolarHBondContact O-CA 3.29Å; V648-R652 PolarHBondContact O-N 3.09Å; V648-V719 HydrophobicContact CG2-CB 3.94Å; V648-V719 HydrophobicContact CG2-CG1 3.32Å; V648-V719 HydrophobicContact CG2-CG2 3.56Å
649	L	91.8	Very high	93.2	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-44	177.2	-72.9	164.7	0	0	0	110.4	Y39 Q354 L357 V358 L645 Q646 D647	Y39-L649 HydrophobicContact CD2-CD2 3.78Å; Y39-L649 HydrophobicContact CE2-CD2 4.31Å; Y39-L649 HydrophobicContact CG-CD2 3.99Å; Q354-L649 PolarHBondContact NE2-O 2.94Å; L357-L649 HydrophobicContact CB-CD1 3.54Å; L357-L649 HydrophobicContact CB-CD2 4.09Å; L357-L649 HydrophobicContact CB-CG 4.47Å; L357-L649 HydrophobicContact CD1-CD2 3.87Å; V358-L649 HydrophobicContact CG2-CB 3.6Å; V358-L649 HydrophobicContact CG2-CD1 4.27Å; L645-L649 HydrophobicContact CD1-CD1 4.1Å; L645-L649 HydrophobicContact CD1-CG 4.32Å; L645-L649 HydrophobicContact CG-CD1 3.9Å; L645-L649 WeakPolarHBondContact O-CB 3.45Å; L645-L649 WeakPolarHBondContact O-CD1 3.39Å; L645-L649 WeakPolarHBondContact O-CG 3.2Å; L645-L649 PolarHBondContact O-N 3.11Å; Q646-L649 PolarHBondContact O-N 2.88Å; D647-L649 VanDerWaalsContact C-N 3.35Å
650	L	90.4	Very high	92.8	Very high	47 Å²	47	48 Å²	48	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-72.1	-49.8	-179.3	-72.1	170.4	0	0	0	113.2	V358 Q646 D647	V358-L650 HydrophobicContact CG1-CD2 3.93Å; V358-L650 HydrophobicContact CG1-CG 4.21Å; V358-L650 HydrophobicContact CG2-CD2 4.02Å; V358-L650 HydrophobicContact CG2-CG 4.13Å; Q646-L650 HydrophobicContact CG-CD1 3.98Å; Q646-L650 WeakPolarHBondContact O-CG 3.39Å; Q646-L650 PolarHBondContact O-N 3.25Å; D647-L650 PolarHBondContact O-N 3.14Å
651	H	90.4	Very high	92.3	Very high	47 Å²	47	49.4 Å²	49.4	22%	0.218	25%	0.246	C	C	.	.	H	α-helix	trans	-115.2	0.4	-164.3	-54.6	-47.9	0	0	0	114.2	D647 W674 G675	D647-H651 PolarHBondContact O-N 3.38Å; H651-W674 HydrophobicContact CB-CD2 4.09Å; H651-W674 HydrophobicContact CB-CH2 4.23Å; H651-W674 HydrophobicContact CB-CZ2 3.62Å; H651-W674 AromaticContact CD2-CH2 3.62Å; H651-W674 AromaticContact CD2-CZ2 3.91Å; H651-W674 AromaticContact CD2-CZ3 3.89Å; H651-G675 WeakPolarHBondContact ND1-CA 3.32Å
652	R	89.8	Confident	91.9	Very high	94 Å²	94	56.5 Å²	56.5	36%	0.355	27%	0.272	S	S	.	.			trans	61.6	175.1	-169.6	-49.4	-62.8	-163.9	-164.8	-1.3	112.2	H350 V648 W674	H350-R652 PolarHBondContact CE1-NH1 3.21Å; H350-R652 VanDerWaalsContact NE2-CZ 3.34Å; H350-R652 PolarHBondContact NE2-NH1 3.44Å; H350-R652 PolarHBondContact NE2-NH2 3.38Å; V648-R652 WeakPolarHBondContact O-CA 3.29Å; V648-R652 PolarHBondContact O-N 3.09Å; R652-W674 PolarHBondContact O-NE1 3.35Å
653	K	90.1	Very high	90.7	Very high	96 Å²	96	58.9 Å²	58.9	42%	0.417	30%	0.296	S	S	.	.	S	Bend	trans	-67.2	132.6	174.3	-171.9	177.9	175.7	-178.2	0	109.4	V719 D721	K653-V719 HydrophobicContact CG-CG1 4.28Å; K653-D721 VanDerWaalsContact CE-CG 3.47Å; K653-D721 VanDerWaalsContact CE-OD2 3.31Å; K653-D721 WeakPolarHBondContact CE-OD2 3.26Å; K653-D721 IonicContact NZ-OD1 3.37Å; K653-D721 PolarHBondContact NZ-OD1 3.09Å; K653-D721 IonicContact NZ-OD2 3.65Å; K653-D721 PolarHBondContact NZ-OD2 3.47Å
654	P	91.6	Very high	89.4	Confident	6 Å²	6	64.2 Å²	64.2	4%	0.039	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-62.9	146	176.4	25.3	-33.8	0	0	0	111.1	W674 L682 L733 I735	P654-W674 HydrophobicContact CB-CG 4.2Å; P654-L682 HydrophobicContact CB-CD1 3.89Å; P654-L682 HydrophobicContact CB-CD2 4.4Å; P654-L682 HydrophobicContact CG-CD1 3.55Å; P654-L682 HydrophobicContact CG-CD2 4.16Å; P654-L733 HydrophobicContact CG-CD1 4.11Å; P654-I735 HydrophobicContact CB-CG1 4.4Å; P654-I735 HydrophobicContact CG-CD1 4.22Å; P654-I735 HydrophobicContact CG-CG1 4.26Å
655	K	89.7	Confident	88.1	Confident	161 Å²	161	67.3 Å²	67.3	70%	0.7	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-80.4	128.9	172.1	-67	-175.2	176.5	-173.7	0	109
656	L	89.9	Confident	87.5	Confident	73 Å²	73	67.8 Å²	67.8	38%	0.382	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-81.9	117.7	174.3	-81.1	71.2	0	0	0	108.7	Y669 L682 L733	L656-Y669 HydrophobicContact CD2-CD2 4.07Å; L656-Y669 HydrophobicContact CD2-CE2 3.93Å; L656-Y669 HydrophobicContact CD2-CG 4.43Å; L656-Y669 HydrophobicContact CG-CD2 4.31Å; L656-Y669 HydrophobicContact CG-CG 4.43Å; L656-L682 HydrophobicContact CD1-CD2 3.56Å; L656-L682 HydrophobicContact CG-CD2 3.67Å; L656-L733 HydrophobicContact CD1-CD1 4.49Å
657	G	91.3	Very high	87.3	Confident	38 Å²	38	67.7 Å²	67.7	39%	0.392	34%	0.343	S	S	.	.			trans	-91.3	-153.7	170.9	0	0	0	0	0	112.5	Y669 L670	G657-Y669 WeakPolarHBondContact O-CD1 3.48Å; G657-L670 VanDerWaalsContact CA-O 3.25Å; G657-L670 WeakPolarHBondContact CA-O 3.35Å; G657-L670 PolarHBondContact N-O 3.2Å
658	Q	93	Very high	87.2	Confident	152 Å²	152	69.6 Å²	69.6	71%	0.71	36%	0.355	S	S	*	.	S	Bend	trans	-62.4	144.3	177.5	-178.7	179.2	-7.4	0	0	112	L660 Y669 L670	Q658-L660 PolarHBondContact O-N 3.2Å; Q658-Y669 CarbonylContact O-C 3.57Å; Q658-Y669 WeakPolarHBondContact O-CA 3.33Å; Q658-L670 PolarHBondContact O-N 2.97Å
659	E	94.3	Very high	87.2	Confident	76 Å²	76	70.9 Å²	70.9	36%	0.355	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	119.1	169.6	-178.3	170.9	148.8	0	0	110.3	R662 V667 Y669	E659-R662 WeakPolarHBondContact OE1-CB 3.28Å; E659-R662 IonicContact OE1-CZ 2.81Å; E659-R662 IonicContact OE1-NE 3.18Å; E659-R662 PolarHBondContact OE1-NE 3.27Å; E659-R662 IonicContact OE1-NH2 3.8Å; E659-R662 IonicContact OE2-CZ 2.64Å; E659-R662 IonicContact OE2-NE 3.38Å; E659-R662 IonicContact OE2-NH2 3.43Å; E659-R662 PolarHBondContact OE2-NH2 3.49Å; E659-V667 HydrophobicContact CB-CG1 4.38Å; E659-V667 VanDerWaalsContact CD-CG1 3.5Å; E659-V667 HydrophobicContact CG-CG1 3.54Å; E659-Y669 HydrophobicContact CB-CD1 4.25Å; E659-Y669 HydrophobicContact CB-CE1 4.23Å
660	L	89.3	Confident	87.3	Confident	91 Å²	91	72.5 Å²	72.5	48%	0.476	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-29.6	174.5	-63.6	178.1	0	0	0	111.6	Q658 V668 L670 R738	Q658-L660 PolarHBondContact O-N 3.2Å; L660-V668 HydrophobicContact CB-CG1 4.37Å; L660-V668 HydrophobicContact CD1-CG1 4.39Å; L660-V668 PolarHBondContact N-O 3.03Å; L660-L670 HydrophobicContact CD1-CB 4.32Å; L660-L670 HydrophobicContact CD2-CB 4.18Å; L660-L670 HydrophobicContact CG-CB 4.21Å; L660-R738 HydrophobicContact CD1-CG 4.48Å
661	G	85.1	Confident	87.4	Confident	31 Å²	31	70.4 Å²	70.4	32%	0.32	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.7	158.9	176.9	0	0	0	0	0	112.9	V668	G661-V668 PolarHBondContact N-O 3.38Å; G661-V668 PolarHBondContact O-N 3.4Å
662	R	86	Confident	87.2	Confident	179 Å²	179	72.9 Å²	72.9	68%	0.675	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.4	177.7	-177.7	176.9	-58.6	-151	-2.1	110.2	E659 V667	E659-R662 WeakPolarHBondContact OE1-CB 3.28Å; E659-R662 IonicContact OE1-CZ 2.81Å; E659-R662 IonicContact OE1-NE 3.18Å; E659-R662 PolarHBondContact OE1-NE 3.27Å; E659-R662 IonicContact OE1-NH2 3.8Å; E659-R662 IonicContact OE2-CZ 2.64Å; E659-R662 IonicContact OE2-NE 3.38Å; E659-R662 IonicContact OE2-NH2 3.43Å; E659-R662 PolarHBondContact OE2-NH2 3.49Å; R662-V667 HydrophobicContact CG-CG2 4.14Å
663	G	71.7	Confident	87.2	Confident	50 Å²	50	73.1 Å²	73.1	52%	0.515	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-178.2	176.8	0	0	0	0	0	111.7	Y665 G666	G663-Y665 PolarHBondContact O-N 3.05Å; G663-G666 PolarHBondContact N-O 3.3Å; G663-G666 PolarHBondContact O-N 3.38Å
664	Q	68.8	Low	87.3	Confident	166 Å²	166	69 Å²	69	78%	0.776	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-32.5	176.1	-179.6	175.2	-11.7	0	0	112.5
665	Y	69	Low	87.1	Confident	68 Å²	68	69.3 Å²	69.3	27%	0.267	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	5.7	-173.8	-47.5	-70.7	0	0	0	113.4	G663 V685 F800	G663-Y665 PolarHBondContact O-N 3.05Å; Y665-V685 WeakPolarHBondContact O-CG1 3.36Å; Y665-F800 HydrophobicContact CE1-CE1 4.47Å; Y665-F800 HydrophobicContact CE1-CE2 4.18Å; Y665-F800 AromaticContact CE1-CZ 3.61Å; Y665-F800 HydrophobicContact CE1-CZ 3.61Å; Y665-F800 AromaticContact CE2-CE2 3.71Å; Y665-F800 HydrophobicContact CE2-CE2 3.71Å; Y665-F800 HydrophobicContact CE2-CZ 4.01Å; Y665-F800 AromaticContact CZ-CE2 3.45Å; Y665-F800 VanDerWaalsContact CZ-CE2 3.45Å; Y665-F800 AromaticContact CZ-CZ 3.26Å; Y665-F800 VanDerWaalsContact OH-CE2 3.31Å; Y665-F800 WeakPolarHBondContact OH-CE2 3.34Å; Y665-F800 WeakPolarHBondContact OH-CZ 3.47Å
666	G	82.3	Confident	87.1	Confident	20 Å²	20	63.7 Å²	63.7	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.5	-160.2	176.8	0	0	0	0	0	114.6	G663 S684	G663-G666 PolarHBondContact N-O 3.3Å; G663-G666 PolarHBondContact O-N 3.38Å; G666-S684 VanDerWaalsContact CA-O 3.24Å; G666-S684 WeakPolarHBondContact CA-O 3.19Å
667	V	89.8	Confident	87.1	Confident	14 Å²	14	63.4 Å²	63.4	9%	0.085	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.1	-170.8	-170.4	0	0	0	0	109.8	E659 R662 Y669 S684	E659-V667 HydrophobicContact CB-CG1 4.38Å; E659-V667 VanDerWaalsContact CD-CG1 3.5Å; E659-V667 HydrophobicContact CG-CG1 3.54Å; R662-V667 HydrophobicContact CG-CG2 4.14Å; V667-Y669 HydrophobicContact CB-CD2 4.46Å; V667-Y669 HydrophobicContact CB-CE2 3.66Å; V667-Y669 HydrophobicContact CG1-CD1 4.38Å; V667-Y669 HydrophobicContact CG1-CD2 4.26Å; V667-Y669 HydrophobicContact CG1-CE1 3.78Å; V667-Y669 HydrophobicContact CG1-CE2 3.66Å; V667-S684 PolarHBondContact N-O 3.39Å; V667-S684 VanDerWaalsContact N-O 3.13Å; V667-S684 PolarHBondContact O-N 2.99Å
668	V	92.5	Very high	87	Confident	41 Å²	41	68.5 Å²	68.5	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.4	175	-174.1	0	0	0	0	108.7	L660 G661 A681 L682 K683	L660-V668 HydrophobicContact CB-CG1 4.37Å; L660-V668 HydrophobicContact CD1-CG1 4.39Å; L660-V668 PolarHBondContact N-O 3.03Å; G661-V668 PolarHBondContact N-O 3.38Å; G661-V668 PolarHBondContact O-N 3.4Å; V668-A681 HydrophobicContact CG1-CB 4.19Å; V668-L682 CarbonylContact C-O 3.51Å; V668-L682 WeakPolarHBondContact CA-O 3.47Å; V668-K683 HydrophobicContact CG2-CB 4.19Å; V668-K683 HydrophobicContact CG2-CG 4.12Å
669	Y	94	Very high	86.9	Confident	34 Å²	34	63.2 Å²	63.2	13%	0.133	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	153	178.5	-57.8	-86.4	0	0	0	110.9	L656 G657 Q658 E659 V667 L682 Y724	L656-Y669 HydrophobicContact CD2-CD2 4.07Å; L656-Y669 HydrophobicContact CD2-CE2 3.93Å; L656-Y669 HydrophobicContact CD2-CG 4.43Å; L656-Y669 HydrophobicContact CG-CD2 4.31Å; L656-Y669 HydrophobicContact CG-CG 4.43Å; G657-Y669 WeakPolarHBondContact O-CD1 3.48Å; Q658-Y669 CarbonylContact O-C 3.57Å; Q658-Y669 WeakPolarHBondContact O-CA 3.33Å; E659-Y669 HydrophobicContact CB-CD1 4.25Å; E659-Y669 HydrophobicContact CB-CE1 4.23Å; V667-Y669 HydrophobicContact CB-CD2 4.46Å; V667-Y669 HydrophobicContact CB-CE2 3.66Å; V667-Y669 HydrophobicContact CG1-CD1 4.38Å; V667-Y669 HydrophobicContact CG1-CD2 4.26Å; V667-Y669 HydrophobicContact CG1-CE1 3.78Å; V667-Y669 HydrophobicContact CG1-CE2 3.66Å; Y669-L682 PolarHBondContact N-O 3.41Å; Y669-L682 PolarHBondContact O-N 2.93Å; Y669-Y724 PolarHBondContact OH-OH 3.43Å
670	L	94	Very high	86.9	Confident	39 Å²	39	59.6 Å²	59.6	20%	0.204	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.5	165.4	-177.3	69.4	0	0	0	109	G657 Q658 L660 R738	G657-L670 VanDerWaalsContact CA-O 3.25Å; G657-L670 WeakPolarHBondContact CA-O 3.35Å; G657-L670 PolarHBondContact N-O 3.2Å; Q658-L670 PolarHBondContact O-N 2.97Å; L660-L670 HydrophobicContact CD1-CB 4.32Å; L660-L670 HydrophobicContact CD2-CB 4.18Å; L660-L670 HydrophobicContact CG-CB 4.21Å; L670-R738 VanDerWaalsContact CD1-NE 3.28Å
671	C	93.4	Very high	87.2	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	109.5	169.7	-170.5	0	0	0	0	107.7	C680 L682	C671-C680 CarbonylContact C-O 3.59Å; C671-C680 HydrophobicContact CB-CB 3.93Å; C671-C680 PolarHBondContact N-O 3.39Å; C671-C680 VanDerWaalsContact N-O 3.12Å; C671-C680 CarbonylContact O-C 3.53Å; C671-C680 VanDerWaalsContact O-CA 3.23Å; C671-C680 WeakPolarHBondContact O-CA 3.35Å; C671-C680 VanDerWaalsContact O-CB 3.23Å; C671-C680 WeakPolarHBondContact O-CB 3.5Å; C671-C680 PolarHBondContact O-N 2.95Å; C671-L682 HydrophobicContact CB-CB 4.16Å
672	D	85.1	Confident	87.6	Confident	99 Å²	99	54.1 Å²	54.1	53%	0.529	29%	0.289	S	S	.	.	S	Bend	trans	-62.6	-59.5	-172.7	-66	-41.5	0	0	0	110.9	F678	D672-F678 HydrophobicContact CB-CE2 4.43Å; D672-F678 WeakPolarHBondContact O-CD2 3.46Å
673	N	89.8	Confident	87.9	Confident	99 Å²	99	46.6 Å²	46.6	53%	0.529	26%	0.262	S	S	.	.			trans	-136.7	136.5	179.3	-179.9	4.2	0	0	0	111.1	G676 H677	N673-G676 PolarHBondContact OD1-N 3.43Å; N673-H677 VanDerWaalsContact CA-O 3.26Å; N673-H677 WeakPolarHBondContact CA-O 3.18Å; N673-H677 PolarHBondContact OD1-O 2.88Å; N673-H677 VanDerWaalsContact OD1-O 3.04Å
674	W	93.3	Very high	88.9	Confident	9 Å²	9	44.3 Å²	44.3	3%	0.034	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-146.7	128.9	168.1	-173.4	80.8	0	0	0	110.8	D647 H651 R652 P654 G676 H677 V719 I735	D647-W674 HydrophobicContact CB-CH2 3.84Å; D647-W674 HydrophobicContact CB-CZ2 4.08Å; H651-W674 HydrophobicContact CB-CD2 4.09Å; H651-W674 HydrophobicContact CB-CH2 4.23Å; H651-W674 HydrophobicContact CB-CZ2 3.62Å; H651-W674 AromaticContact CD2-CH2 3.62Å; H651-W674 AromaticContact CD2-CZ2 3.91Å; H651-W674 AromaticContact CD2-CZ3 3.89Å; R652-W674 PolarHBondContact O-NE1 3.35Å; P654-W674 HydrophobicContact CB-CG 4.2Å; W674-G676 PolarHBondContact O-N 3.03Å; W674-G676 VanDerWaalsContact O-N 3.12Å; W674-H677 PolarHBondContact N-O 3.41Å; W674-H677 VanDerWaalsContact N-O 3.12Å; W674-H677 WeakPolarHBondContact O-CB 3.37Å; W674-H677 PolarHBondContact O-N 3.45Å; W674-V719 HydrophobicContact CZ2-CG2 3.93Å; W674-I735 HydrophobicContact CB-CG2 4.16Å; W674-I735 HydrophobicContact CD2-CB 4.38Å; W674-I735 HydrophobicContact CD2-CD1 4.44Å; W674-I735 HydrophobicContact CD2-CG1 3.81Å; W674-I735 HydrophobicContact CD2-CG2 4.12Å; W674-I735 HydrophobicContact CE3-CB 3.95Å; W674-I735 HydrophobicContact CE3-CD1 4.49Å; W674-I735 HydrophobicContact CE3-CG1 3.85Å; W674-I735 HydrophobicContact CE3-CG2 3.7Å; W674-I735 HydrophobicContact CG-CG1 4.27Å; W674-I735 HydrophobicContact CG-CG2 4.36Å; W674-I735 HydrophobicContact CH2-CD1 4.19Å; W674-I735 HydrophobicContact CH2-CG1 4.42Å; W674-I735 HydrophobicContact CZ2-CD1 4.16Å; W674-I735 HydrophobicContact CZ2-CG1 4.42Å; W674-I735 HydrophobicContact CZ3-CB 4.21Å; W674-I735 HydrophobicContact CZ3-CD1 4.37Å; W674-I735 HydrophobicContact CZ3-CG1 4.16Å; W674-I735 HydrophobicContact CZ3-CG2 4.4Å
675	G	87.2	Confident	90	Very high	13 Å²	13	37.2 Å²	37.2	13%	0.134	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	24.7	178.7	0	0	0	0	0	114.8	Q327 H651 H677	Q327-G675 PolarHBondContact OE1-O 3.42Å; H651-G675 WeakPolarHBondContact ND1-CA 3.32Å; G675-H677 VanDerWaalsContact C-N 3.26Å; G675-H677 PolarHBondContact O-N 3.12Å
676	G	88.9	Confident	91	Very high	44 Å²	44	36.9 Å²	36.9	45%	0.454	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-3	179.6	0	0	0	0	0	112.8	N673 W674	N673-G676 PolarHBondContact OD1-N 3.43Å; W674-G676 PolarHBondContact O-N 3.03Å; W674-G676 VanDerWaalsContact O-N 3.12Å
677	H	90	Very high	91.3	Very high	66 Å²	66	36.8 Å²	36.8	31%	0.306	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-86.4	132	173.6	-60.4	-73.6	0	0	0	110.5	N673 W674 G675 C680 H716	N673-H677 VanDerWaalsContact CA-O 3.26Å; N673-H677 WeakPolarHBondContact CA-O 3.18Å; N673-H677 PolarHBondContact OD1-O 2.88Å; N673-H677 VanDerWaalsContact OD1-O 3.04Å; W674-H677 PolarHBondContact N-O 3.41Å; W674-H677 VanDerWaalsContact N-O 3.12Å; W674-H677 WeakPolarHBondContact O-CB 3.37Å; W674-H677 PolarHBondContact O-N 3.45Å; G675-H677 VanDerWaalsContact C-N 3.26Å; G675-H677 PolarHBondContact O-N 3.12Å; H677-C680 VanDerWaalsContact C-SG 3.56Å; H677-C680 WeakPolarHBondContact CB-SG 3.38Å; H677-C680 PolarHBondContact O-SG 3.18Å; H677-H716 AromaticContact CD2-CG 3.75Å; H677-H716 AromaticContact CE1-ND1 3.68Å; H677-H716 AromaticContact CG-CD2 3.71Å; H677-H716 AromaticContact CG-CE1 3.89Å; H677-H716 AromaticContact CG-CG 3.58Å; H677-H716 AromaticContact CG-ND1 3.69Å; H677-H716 AromaticContact CG-NE2 3.9Å; H677-H716 AromaticContact ND1-CE1 3.55Å; H677-H716 AromaticContact ND1-CG 3.89Å; H677-H716 AromaticContact ND1-ND1 3.49Å; H677-H716 PolarHBondContact ND1-ND1 3.25Å; H677-H716 AromaticContact ND1-NE2 3.95Å; H677-H716 AromaticContact NE2-ND1 3.98Å
678	F	89.1	Confident	91.1	Very high	145 Å²	145	41 Å²	41	64%	0.636	23%	0.234	S	C	*	.			trans	-151	137.2	172.9	173	-81.4	0	0	0	108.2	D672	D672-F678 HydrophobicContact CB-CE2 4.43Å; D672-F678 WeakPolarHBondContact O-CD2 3.46Å
679	P	91.8	Very high	91	Very high	41 Å²	41	42.6 Å²	42.6	27%	0.266	24%	0.241	S	C	.	.	S	Bend	cis	-83	148	-7.3	33.4	-34.3	0	0	0	112.7	R738	P679-R738 HydrophobicContact CB-CB 4.25Å; P679-R738 VanDerWaalsContact CB-NH2 3.34Å; P679-R738 HydrophobicContact CG-CB 4.39Å; P679-R738 PolarHBondContact O-N 2.8Å
680	C	94.5	Very high	90.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	157.9	178.8	-61.4	0	0	0	0	114.2	C671 H677 I735 M736 R738	C671-C680 CarbonylContact C-O 3.59Å; C671-C680 HydrophobicContact CB-CB 3.93Å; C671-C680 PolarHBondContact N-O 3.39Å; C671-C680 VanDerWaalsContact N-O 3.12Å; C671-C680 CarbonylContact O-C 3.53Å; C671-C680 VanDerWaalsContact O-CA 3.23Å; C671-C680 WeakPolarHBondContact O-CA 3.35Å; C671-C680 VanDerWaalsContact O-CB 3.23Å; C671-C680 WeakPolarHBondContact O-CB 3.5Å; C671-C680 PolarHBondContact O-N 2.95Å; H677-C680 VanDerWaalsContact C-SG 3.56Å; H677-C680 WeakPolarHBondContact CB-SG 3.38Å; H677-C680 PolarHBondContact O-SG 3.18Å; C680-I735 HydrophobicContact CB-CG2 4.17Å; C680-M736 CarbonylContact C-O 3.33Å; C680-M736 WeakPolarHBondContact CA-O 3.49Å; C680-R738 VanDerWaalsContact C-CB 3.45Å; C680-R738 WeakPolarHBondContact O-CB 3.2Å; C680-R738 WeakPolarHBondContact O-CD 3.36Å
681	A	94.8	Very high	90.3	Very high	8 Å²	8	51.8 Å²	51.8	7%	0.066	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.6	169.3	0	0	0	0	0	108.4	V668 M736 R738	V668-A681 HydrophobicContact CG1-CB 4.19Å; A681-M736 PolarHBondContact N-O 3.46Å; A681-M736 PolarHBondContact O-N 3.18Å; A681-R738 HydrophobicContact CB-CB 3.95Å; A681-R738 HydrophobicContact CB-CG 4.18Å
682	L	94.2	Very high	90	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	109.9	-178.6	-170.9	79.1	0	0	0	109.8	P654 L656 V668 Y669 C671 L733 L734 I735	P654-L682 HydrophobicContact CB-CD1 3.89Å; P654-L682 HydrophobicContact CB-CD2 4.4Å; P654-L682 HydrophobicContact CG-CD1 3.55Å; P654-L682 HydrophobicContact CG-CD2 4.16Å; L656-L682 HydrophobicContact CD1-CD2 3.56Å; L656-L682 HydrophobicContact CG-CD2 3.67Å; V668-L682 CarbonylContact C-O 3.51Å; V668-L682 WeakPolarHBondContact CA-O 3.47Å; Y669-L682 PolarHBondContact N-O 3.41Å; Y669-L682 PolarHBondContact O-N 2.93Å; C671-L682 HydrophobicContact CB-CB 4.16Å; L682-L733 HydrophobicContact CD1-CB 3.89Å; L682-L733 HydrophobicContact CD2-CB 4.48Å; L682-L733 HydrophobicContact CD2-CD1 4.37Å; L682-L733 HydrophobicContact CD2-CD2 4.42Å; L682-L733 HydrophobicContact CG-CB 4.29Å; L682-L734 CarbonylContact C-O 3.52Å; L682-L734 WeakPolarHBondContact CA-O 3.43Å; L682-I735 HydrophobicContact CD1-CB 4.49Å; L682-I735 HydrophobicContact CD1-CD1 3.97Å; L682-I735 HydrophobicContact CD1-CG1 3.63Å
683	K	92.6	Very high	90.1	Very high	21 Å²	21	52 Å²	52	9%	0.091	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.6	173.7	-177.6	176.1	179	177	0	109.4	V668 V685 L733 L734 M736 D797	V668-K683 HydrophobicContact CG2-CB 4.19Å; V668-K683 HydrophobicContact CG2-CG 4.12Å; K683-V685 HydrophobicContact CD-CG2 4.45Å; K683-V685 HydrophobicContact CG-CG2 4.13Å; K683-L733 WeakPolarHBondContact O-CA 3.43Å; K683-L734 HydrophobicContact CB-CB 4.35Å; K683-L734 PolarHBondContact N-O 2.76Å; K683-L734 PolarHBondContact O-N 3.34Å; K683-M736 HydrophobicContact CB-CE 3.55Å; K683-M736 HydrophobicContact CD-CE 4.3Å; K683-D797 IonicContact NZ-OD1 3.55Å; K683-D797 PolarHBondContact NZ-OD1 3Å; K683-D797 IonicContact NZ-OD2 3.74Å; K683-D797 PolarHBondContact NZ-OD2 3.45Å
684	S	92.6	Very high	90.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.2	173.3	178.7	0	0	0	0	109.9	G666 V667 Y724	G666-S684 VanDerWaalsContact CA-O 3.24Å; G666-S684 WeakPolarHBondContact CA-O 3.19Å; V667-S684 PolarHBondContact N-O 3.39Å; V667-S684 VanDerWaalsContact N-O 3.13Å; V667-S684 PolarHBondContact O-N 2.99Å; S684-Y724 WeakPolarHBondContact OG-CE2 3.46Å; S684-Y724 PolarHBondContact OG-OH 3.4Å
685	V	90.8	Very high	89.8	Confident	17 Å²	17	50.2 Å²	50.2	10%	0.103	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126	176.2	-174.9	0	0	0	0	108.7	Y665 K683 P687 L696 A731 V732 L734	Y665-V685 WeakPolarHBondContact O-CG1 3.36Å; K683-V685 HydrophobicContact CD-CG2 4.45Å; K683-V685 HydrophobicContact CG-CG2 4.13Å; V685-P687 WeakPolarHBondContact O-CD 3.5Å; V685-L696 HydrophobicContact CB-CD1 4.5Å; V685-L696 HydrophobicContact CB-CD2 3.93Å; V685-L696 HydrophobicContact CG1-CD1 4.12Å; V685-L696 HydrophobicContact CG1-CD2 3.58Å; V685-L696 HydrophobicContact CG1-CG 4.47Å; V685-L696 HydrophobicContact CG2-CD1 4.46Å; V685-A731 CarbonylContact O-C 3.6Å; V685-A731 VanDerWaalsContact O-CA 3.31Å; V685-A731 WeakPolarHBondContact O-CA 3.27Å; V685-V732 PolarHBondContact N-O 3.48Å; V685-V732 PolarHBondContact O-N 2.87Å; V685-L734 HydrophobicContact CG2-CD1 4.34Å
686	V	90.8	Very high	89.8	Confident	61 Å²	61	50.3 Å²	50.3	37%	0.37	27%	0.267	S	S	.	.			trans	-108.7	104.7	176.4	-179	0	0	0	0	107.9	Y724 A731	V686-Y724 HydrophobicContact CG2-CD1 3.95Å; V686-Y724 HydrophobicContact CG2-CE1 3.78Å; V686-A731 HydrophobicContact CG2-CB 4.02Å
687	P	87.9	Confident	89.9	Confident	18 Å²	18	48.2 Å²	48.2	12%	0.117	25%	0.246	C	C	.	.			trans	-71.8	127.4	179.6	-18.2	35	0	0	0	109.9	V685 D689 H692 W693 L696	V685-P687 WeakPolarHBondContact O-CD 3.5Å; P687-D689 VanDerWaalsContact C-N 3.35Å; P687-H692 HydrophobicContact CB-CB 4.35Å; P687-W693 HydrophobicContact CB-CB 3.98Å; P687-W693 HydrophobicContact CB-CD2 4.29Å; P687-W693 HydrophobicContact CB-CE3 3.63Å; P687-W693 HydrophobicContact CB-CZ3 4.28Å; P687-W693 VanDerWaalsContact CD-CZ3 3.49Å; P687-W693 HydrophobicContact CG-CB 4.39Å; P687-W693 HydrophobicContact CG-CD2 3.93Å; P687-W693 HydrophobicContact CG-CE3 3.26Å; P687-W693 HydrophobicContact CG-CG 4.46Å; P687-W693 HydrophobicContact CG-CH2 4.4Å; P687-W693 HydrophobicContact CG-CZ3 3.52Å; P687-L696 HydrophobicContact CG-CD2 3.84Å
688	P	86.6	Confident	89.8	Confident	103 Å²	103	45.4 Å²	45.4	67%	0.669	23%	0.233	S	C	*	.	S	Bend	trans	-74.3	-24.4	-176.3	28.8	-36.5	0	0	0	113.6	H692	P688-H692 HydrophobicContact CG-CB 4.09Å
689	D	89.1	Confident	89.6	Confident	75 Å²	75	40.6 Å²	40.6	40%	0.401	21%	0.212	S	C	.	.	S	Bend	trans	-150.7	176.8	179.3	62.9	42.6	0	0	0	111.4	P687 K691 H692 W693	P687-D689 VanDerWaalsContact C-N 3.35Å; D689-K691 VanDerWaalsContact C-N 3.32Å; D689-K691 PolarHBondContact O-N 3.41Å; D689-K691 WeakPolarHBondContact OD1-CA 3.43Å; D689-K691 WeakPolarHBondContact OD1-CB 3.34Å; D689-K691 PolarHBondContact OD1-N 3.23Å; D689-H692 PolarHBondContact O-N 2.92Å; D689-H692 IonicContact OD1-CE1 3.24Å; D689-H692 IonicContact OD1-CG 3.79Å; D689-H692 PolarHBondContact OD1-N 3.3Å; D689-H692 IonicContact OD1-ND1 2.78Å; D689-H692 PolarHBondContact OD1-ND1 3.19Å; D689-H692 IonicContact OD2-CE1 2.94Å; D689-H692 PolarHBondContact OD2-CE1 2.67Å; D689-H692 VanDerWaalsContact OD2-CE1 3.29Å; D689-H692 IonicContact OD2-ND1 2.98Å; D689-H692 PolarHBondContact OD2-ND1 2.75Å; D689-W693 PolarHBondContact O-N 3.1Å
690	E	88.3	Confident	89.4	Confident	124 Å²	124	38.9 Å²	38.9	58%	0.579	20%	0.201	S	C	*	.	H	α-helix	trans	-64	-34.2	-179.2	-178.8	168.9	-154.3	0	0	113.3	R637 W693 N694	R637-E690 IonicContact NH1-OE1 3.98Å; E690-W693 WeakPolarHBondContact O-CB 3.34Å; E690-W693 PolarHBondContact O-N 2.92Å; E690-N694 VanDerWaalsContact O-CG 3.22Å; E690-N694 PolarHBondContact O-N 3.48Å; E690-N694 PolarHBondContact O-ND2 3.42Å
691	K	86.2	Confident	89.2	Confident	141 Å²	141	39.2 Å²	39.2	61%	0.613	20%	0.202	S	C	*	.	H	α-helix	trans	-65.6	-49.4	179.2	-179.8	-170.7	170	-165.8	0	110.2	D689 W693 N694 D695	D689-K691 VanDerWaalsContact C-N 3.32Å; D689-K691 PolarHBondContact O-N 3.41Å; D689-K691 WeakPolarHBondContact OD1-CA 3.43Å; D689-K691 WeakPolarHBondContact OD1-CB 3.34Å; D689-K691 PolarHBondContact OD1-N 3.23Å; K691-W693 PolarHBondContact O-N 3.49Å; K691-N694 PolarHBondContact O-N 3.34Å; K691-N694 VanDerWaalsContact O-N 3.16Å; K691-D695 PolarHBondContact O-N 3.32Å
692	H	85.9	Confident	88.8	Confident	87 Å²	87	39.3 Å²	39.3	40%	0.403	20%	0.201	S	C	.	.	H	α-helix	trans	-64.7	-30.5	176.9	-65.7	91.9	0	0	0	112	P687 P688 D689 L696	P687-H692 HydrophobicContact CB-CB 4.35Å; P688-H692 HydrophobicContact CG-CB 4.09Å; D689-H692 PolarHBondContact O-N 2.92Å; D689-H692 IonicContact OD1-CE1 3.24Å; D689-H692 IonicContact OD1-CG 3.79Å; D689-H692 PolarHBondContact OD1-N 3.3Å; D689-H692 IonicContact OD1-ND1 2.78Å; D689-H692 PolarHBondContact OD1-ND1 3.19Å; D689-H692 IonicContact OD2-CE1 2.94Å; D689-H692 PolarHBondContact OD2-CE1 2.67Å; D689-H692 VanDerWaalsContact OD2-CE1 3.29Å; D689-H692 IonicContact OD2-ND1 2.98Å; D689-H692 PolarHBondContact OD2-ND1 2.75Å; H692-L696 VanDerWaalsContact O-CB 3.22Å; H692-L696 WeakPolarHBondContact O-CB 3.43Å; H692-L696 PolarHBondContact O-N 2.98Å
693	W	88.6	Confident	88.4	Confident	19 Å²	19	40.5 Å²	40.5	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-45.7	172.5	-167.1	-72.8	0	0	0	111.6	P687 D689 E690 K691 A697 I720 I730 V732	P687-W693 HydrophobicContact CB-CB 3.98Å; P687-W693 HydrophobicContact CB-CD2 4.29Å; P687-W693 HydrophobicContact CB-CE3 3.63Å; P687-W693 HydrophobicContact CB-CZ3 4.28Å; P687-W693 VanDerWaalsContact CD-CZ3 3.49Å; P687-W693 HydrophobicContact CG-CB 4.39Å; P687-W693 HydrophobicContact CG-CD2 3.93Å; P687-W693 HydrophobicContact CG-CE3 3.26Å; P687-W693 HydrophobicContact CG-CG 4.46Å; P687-W693 HydrophobicContact CG-CH2 4.4Å; P687-W693 HydrophobicContact CG-CZ3 3.52Å; D689-W693 PolarHBondContact O-N 3.1Å; E690-W693 WeakPolarHBondContact O-CB 3.34Å; E690-W693 PolarHBondContact O-N 2.92Å; K691-W693 PolarHBondContact O-N 3.49Å; W693-A697 WeakPolarHBondContact O-CB 3.21Å; W693-A697 PolarHBondContact O-N 2.72Å; W693-I720 HydrophobicContact CH2-CG2 4.09Å; W693-I720 HydrophobicContact CZ2-CD1 4.25Å; W693-I720 HydrophobicContact CZ2-CG1 4.47Å; W693-I720 HydrophobicContact CZ2-CG2 4.16Å; W693-I730 HydrophobicContact CH2-CB 3.87Å; W693-I730 HydrophobicContact CH2-CG2 3.21Å; W693-I730 HydrophobicContact CZ2-CG2 4.16Å; W693-I730 HydrophobicContact CZ3-CB 3.7Å; W693-I730 HydrophobicContact CZ3-CG2 3.62Å; W693-V732 HydrophobicContact CH2-CG2 3.66Å; W693-V732 HydrophobicContact CZ2-CG2 3.82Å; W693-V732 HydrophobicContact CZ3-CG2 4.37Å
694	N	90.8	Very high	88.1	Confident	18 Å²	18	43 Å²	43	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-69.4	-40.4	178.6	-66.8	-26.4	0	0	0	112.1	P633 R637 E690 K691 A697 L698	P633-N694 HydrophobicContact CB-CB 3.6Å; R637-N694 VanDerWaalsContact CD-OD1 3.28Å; R637-N694 WeakPolarHBondContact CD-OD1 3.41Å; E690-N694 VanDerWaalsContact O-CG 3.22Å; E690-N694 PolarHBondContact O-N 3.48Å; E690-N694 PolarHBondContact O-ND2 3.42Å; K691-N694 PolarHBondContact O-N 3.34Å; K691-N694 VanDerWaalsContact O-N 3.16Å; N694-A697 PolarHBondContact O-N 2.67Å; N694-L698 PolarHBondContact O-N 3.1Å
695	D	84.4	Confident	87.7	Confident	52 Å²	52	46.3 Å²	46.3	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-47.9	176.1	-73.3	-24.8	0	0	0	110.8	K691 A697 L698 E699	K691-D695 PolarHBondContact O-N 3.32Å; D695-A697 VanDerWaalsContact C-N 3.3Å; D695-A697 PolarHBondContact O-N 3.25Å; D695-L698 PolarHBondContact O-N 3.44Å; D695-L698 VanDerWaalsContact O-N 3.16Å; D695-E699 WeakPolarHBondContact O-CG 3.29Å; D695-E699 PolarHBondContact O-N 2.91Å
696	L	87.4	Confident	87.6	Confident	16 Å²	16	46.7 Å²	46.7	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-40	175.2	176.5	64.6	0	0	0	112.4	V685 P687 H692 L698 E699 F700 V732	V685-L696 HydrophobicContact CB-CD1 4.5Å; V685-L696 HydrophobicContact CB-CD2 3.93Å; V685-L696 HydrophobicContact CG1-CD1 4.12Å; V685-L696 HydrophobicContact CG1-CD2 3.58Å; V685-L696 HydrophobicContact CG1-CG 4.47Å; V685-L696 HydrophobicContact CG2-CD1 4.46Å; P687-L696 HydrophobicContact CG-CD2 3.84Å; H692-L696 VanDerWaalsContact O-CB 3.22Å; H692-L696 WeakPolarHBondContact O-CB 3.43Å; H692-L696 PolarHBondContact O-N 2.98Å; L696-L698 VanDerWaalsContact C-N 3.34Å; L696-E699 PolarHBondContact O-N 3.29Å; L696-F700 WeakPolarHBondContact O-CB 3.39Å; L696-F700 PolarHBondContact O-N 3.22Å; L696-V732 HydrophobicContact CD2-CB 3.84Å; L696-V732 HydrophobicContact CD2-CG1 4.41Å; L696-V732 HydrophobicContact CD2-CG2 3.69Å
697	A	91.8	Very high	87.6	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.9	-36.3	179.1	0	0	0	0	0	112.3	A636 R637 L640 W693 N694 D695 F700 H701	A636-A697 HydrophobicContact CB-CB 4.19Å; R637-A697 VanDerWaalsContact CA-CB 3.45Å; R637-A697 HydrophobicContact CB-CB 4.09Å; L640-A697 HydrophobicContact CB-CB 4.02Å; L640-A697 HydrophobicContact CD2-CB 3.86Å; W693-A697 WeakPolarHBondContact O-CB 3.21Å; W693-A697 PolarHBondContact O-N 2.72Å; N694-A697 PolarHBondContact O-N 2.67Å; D695-A697 VanDerWaalsContact C-N 3.3Å; D695-A697 PolarHBondContact O-N 3.25Å; A697-F700 PolarHBondContact O-N 3.39Å; A697-H701 PolarHBondContact O-N 3.15Å
698	L	87.8	Confident	87.8	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-67.7	-42.2	174.3	-171.9	67	0	0	0	111.4	L372 A632 P633 A636 N694 D695 L696 F700 H701 Y702	L372-L698 HydrophobicContact CD1-CD1 4.28Å; A632-L698 HydrophobicContact CB-CD1 4.45Å; P633-L698 HydrophobicContact CG-CD2 4.33Å; A636-L698 HydrophobicContact CB-CB 4.02Å; A636-L698 HydrophobicContact CB-CD1 3.96Å; N694-L698 PolarHBondContact O-N 3.1Å; D695-L698 PolarHBondContact O-N 3.44Å; D695-L698 VanDerWaalsContact O-N 3.16Å; L696-L698 VanDerWaalsContact C-N 3.34Å; L698-F700 VanDerWaalsContact C-N 3.35Å; L698-F700 PolarHBondContact O-N 3.43Å; L698-H701 WeakPolarHBondContact O-CB 3.24Å; L698-H701 PolarHBondContact O-N 3.2Å; L698-Y702 HydrophobicContact CD1-CE2 4.01Å; L698-Y702 HydrophobicContact CD2-CE2 4Å; L698-Y702 HydrophobicContact CG-CD2 4.3Å; L698-Y702 HydrophobicContact CG-CE2 3.55Å; L698-Y702 VanDerWaalsContact O-CD2 3.22Å; L698-Y702 WeakPolarHBondContact O-CD2 3.02Å; L698-Y702 PolarHBondContact O-N 3.4Å
699	E	84.8	Confident	88.2	Confident	45 Å²	45	50.5 Å²	50.5	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-47.8	172.5	-70.3	161	-158	0	0	111.3	D695 L696 H701 Y702 M703 G799	D695-E699 WeakPolarHBondContact O-CG 3.29Å; D695-E699 PolarHBondContact O-N 2.91Å; L696-E699 PolarHBondContact O-N 3.29Å; E699-H701 VanDerWaalsContact C-N 3.29Å; E699-H701 PolarHBondContact O-N 2.87Å; E699-Y702 PolarHBondContact O-N 3.13Å; E699-M703 WeakPolarHBondContact O-CG 2.86Å; E699-M703 PolarHBondContact O-N 3.23Å; E699-G799 WeakPolarHBondContact OE2-CA 3.5Å
700	F	88.1	Confident	88.6	Confident	5 Å²	5	53 Å²	53	2%	0.022	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-40.8	176.7	174.8	-97.6	0	0	0	112.4	L640 R643 L696 A697 L698 M703 R704 L715 S718 L734	L640-F700 HydrophobicContact CB-CD1 4.4Å; L640-F700 HydrophobicContact CD1-CB 4.35Å; L640-F700 HydrophobicContact CD1-CD1 3.47Å; L640-F700 VanDerWaalsContact CD1-CD1 3.47Å; L640-F700 HydrophobicContact CD1-CD2 4.21Å; L640-F700 HydrophobicContact CD1-CE1 3.72Å; L640-F700 HydrophobicContact CD1-CE2 4.43Å; L640-F700 HydrophobicContact CD1-CG 3.73Å; L640-F700 HydrophobicContact CD1-CZ 4.2Å; L640-F700 HydrophobicContact CG-CD1 4.48Å; R643-F700 HydrophobicContact CB-CE1 4.45Å; R643-F700 HydrophobicContact CG-CE1 4.09Å; R643-F700 HydrophobicContact CG-CZ 4.12Å; L696-F700 WeakPolarHBondContact O-CB 3.39Å; L696-F700 PolarHBondContact O-N 3.22Å; A697-F700 PolarHBondContact O-N 3.39Å; L698-F700 VanDerWaalsContact C-N 3.35Å; L698-F700 PolarHBondContact O-N 3.43Å; F700-M703 PolarHBondContact O-N 3.12Å; F700-R704 WeakPolarHBondContact O-CB 2.89Å; F700-R704 PolarHBondContact O-N 3.48Å; F700-L715 HydrophobicContact CD2-CD2 3.8Å; F700-L715 HydrophobicContact CE2-CD2 3.62Å; F700-L715 HydrophobicContact CE2-CG 4.39Å; F700-S718 WeakPolarHBondContact CE2-OG 3.48Å; F700-S718 WeakPolarHBondContact CZ-OG 3.48Å; F700-L734 HydrophobicContact CD2-CD2 3.77Å; F700-L734 HydrophobicContact CE2-CD2 4.25Å
701	H	89.5	Confident	89	Confident	7 Å²	7	48.1 Å²	48.1	3%	0.032	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-49	176.4	-177.8	75	0	0	0	111.3	L372 D373 A697 L698 E699 R704 S705	L372-H701 HydrophobicContact CD2-CB 3.87Å; L372-H701 VanDerWaalsContact CD2-CD2 3.45Å; L372-H701 WeakPolarHBondContact CD2-CD2 3.38Å; D373-H701 IonicContact OD1-CE1 2.82Å; D373-H701 IonicContact OD1-NE2 3.91Å; D373-H701 PolarHBondContact OD1-NE2 2.81Å; A697-H701 PolarHBondContact O-N 3.15Å; L698-H701 WeakPolarHBondContact O-CB 3.24Å; L698-H701 PolarHBondContact O-N 3.2Å; E699-H701 VanDerWaalsContact C-N 3.29Å; E699-H701 PolarHBondContact O-N 2.87Å; H701-R704 PolarHBondContact O-N 3.29Å; H701-S705 PolarHBondContact O-N 2.73Å; H701-S705 PolarHBondContact O-OG 2.88Å
702	Y	86.1	Confident	89.5	Confident	9 Å²	9	41.7 Å²	41.7	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-43.8	178.3	-64	-50.3	0	0	0	112.7	I376 L698 E699 R704 S705 L706 L775 P803	I376-Y702 HydrophobicContact CD1-CE1 3.58Å; I376-Y702 HydrophobicContact CG1-CE1 4.23Å; L698-Y702 HydrophobicContact CD1-CE2 4.01Å; L698-Y702 HydrophobicContact CD2-CE2 4Å; L698-Y702 HydrophobicContact CG-CD2 4.3Å; L698-Y702 HydrophobicContact CG-CE2 3.55Å; L698-Y702 VanDerWaalsContact O-CD2 3.22Å; L698-Y702 WeakPolarHBondContact O-CD2 3.02Å; L698-Y702 PolarHBondContact O-N 3.4Å; E699-Y702 PolarHBondContact O-N 3.13Å; Y702-R704 PolarHBondContact O-N 3.06Å; Y702-S705 WeakPolarHBondContact CA-OG 3.1Å; Y702-S705 PolarHBondContact O-N 3.07Å; Y702-S705 PolarHBondContact O-OG 3.23Å; Y702-L706 WeakPolarHBondContact O-CG 3.37Å; Y702-L706 PolarHBondContact O-N 2.92Å; Y702-L775 HydrophobicContact CD1-CD2 4.29Å; Y702-L775 HydrophobicContact CG-CD2 4.23Å; Y702-P803 HydrophobicContact CD1-CG 4Å; Y702-P803 HydrophobicContact CD2-CG 4.43Å; Y702-P803 HydrophobicContact CE1-CG 3.34Å; Y702-P803 HydrophobicContact CE2-CG 3.84Å; Y702-P803 WeakPolarHBondContact OH-CG 3.29Å
703	M	86.3	Confident	89.9	Confident	25 Å²	25	38.2 Å²	38.2	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-39.4	178.2	-70.3	-177.9	66.7	0	0	112	E699 F700 L715 L798	E699-M703 WeakPolarHBondContact O-CG 2.86Å; E699-M703 PolarHBondContact O-N 3.23Å; F700-M703 PolarHBondContact O-N 3.12Å; M703-L715 HydrophobicContact CB-CD2 3.8Å; M703-L715 HydrophobicContact CE-CD2 4.29Å; M703-L798 HydrophobicContact CE-CB 4.02Å; M703-L798 HydrophobicContact CE-CD1 4.23Å; M703-L798 HydrophobicContact CE-CG 4.29Å; M703-L798 HydrophobicContact CG-CB 3.6Å; M703-L798 HydrophobicContact CG-CD1 3.95Å; M703-L798 HydrophobicContact CG-CG 4.36Å; M703-L798 HydrophobicContact SD-CB 3.81Å
704	R	86.5	Confident	90	Very high	73 Å²	73	38.7 Å²	38.7	28%	0.275	19%	0.193	S	C	.	.	H	α-helix	trans	-78	-28.6	-178.6	-169.9	-179.2	63.1	142	-0.2	113	N365 C369 F700 H701 Y702 L706 L715	N365-R704 PolarHBondContact OD1-NH1 3.29Å; C369-R704 PolarHBondContact SG-NH2 2.85Å; F700-R704 WeakPolarHBondContact O-CB 2.89Å; F700-R704 PolarHBondContact O-N 3.48Å; H701-R704 PolarHBondContact O-N 3.29Å; Y702-R704 PolarHBondContact O-N 3.06Å; R704-L706 PolarHBondContact O-N 3.17Å; R704-L715 HydrophobicContact CB-CD2 4.49Å
705	S	84.9	Confident	90.1	Very high	71 Å²	71	39.6 Å²	39.6	50%	0.497	20%	0.198	S	C	.	.	H	α-helix	trans	-75.5	-13.3	177	61.6	0	0	0	0	113.1	H701 Y702	H701-S705 PolarHBondContact O-N 2.73Å; H701-S705 PolarHBondContact O-OG 2.88Å; Y702-S705 WeakPolarHBondContact CA-OG 3.1Å; Y702-S705 PolarHBondContact O-N 3.07Å; Y702-S705 PolarHBondContact O-OG 3.23Å
706	L	88	Confident	90.5	Very high	26 Å²	26	38.6 Å²	38.6	14%	0.136	19%	0.192	C	C	.	.	S	Bend	trans	-67.9	131.8	178	-75.6	171.7	0	0	0	111.4	Y702 R704 L712 F769 L770 Q773 L775 L798	Y702-L706 WeakPolarHBondContact O-CG 3.37Å; Y702-L706 PolarHBondContact O-N 2.92Å; R704-L706 PolarHBondContact O-N 3.17Å; L706-L712 HydrophobicContact CD1-CD1 4.13Å; L706-F769 HydrophobicContact CD2-CE1 4.25Å; L706-L770 HydrophobicContact CD1-CD2 3.75Å; L706-L770 HydrophobicContact CD2-CD2 4.38Å; L706-Q773 HydrophobicContact CD2-CB 3.74Å; L706-Q773 HydrophobicContact CD2-CG 3.65Å; L706-L775 HydrophobicContact CD1-CD1 3.99Å; L706-L775 HydrophobicContact CD2-CD1 3.79Å; L706-L775 HydrophobicContact CG-CD1 4.03Å; L706-L798 HydrophobicContact CD1-CD1 3.77Å
707	P	91.1	Very high	90.7	Very high	67 Å²	67	38 Å²	38	44%	0.435	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-58.4	146	165.2	-19.7	30.3	0	0	0	110.5	H709 F769	P707-H709 PolarHBondContact O-N 2.88Å; P707-F769 HydrophobicContact CB-CZ 4.06Å; P707-F769 HydrophobicContact CG-CZ 4.21Å; P707-F769 WeakPolarHBondContact O-CZ 3.39Å
708	K	91.8	Very high	90.8	Very high	157 Å²	157	38 Å²	38	68%	0.683	19%	0.19	S	C	*	.	P	Polyproline II helix	trans	-56.7	138.5	172.5	-69.6	-167.5	172.8	-150	0	110.4	D714	K708-D714 WeakPolarHBondContact CD-OD2 3.46Å; K708-D714 WeakPolarHBondContact CE-OD2 3.33Å; K708-D714 IonicContact NZ-OD2 3.31Å; K708-D714 PolarHBondContact NZ-OD2 2.94Å
709	H	95.3	Very high	91.1	Very high	37 Å²	37	37.9 Å²	37.9	17%	0.171	19%	0.189	C	C	.	.			trans	-145	138.9	-176.9	-172.8	-96.3	0	0	0	110.6	P707 R711 L712 F769	P707-H709 PolarHBondContact O-N 2.88Å; H709-R711 PolarHBondContact ND1-N 3.48Å; H709-R711 VanDerWaalsContact ND1-N 3.15Å; H709-R711 PolarHBondContact O-N 3.42Å; H709-L712 HydrophobicContact CB-CB 4.4Å; H709-L712 HydrophobicContact CB-CD1 4.46Å; H709-L712 HydrophobicContact CB-CG 4.27Å; H709-L712 PolarHBondContact O-N 3.26Å; H709-L712 VanDerWaalsContact O-N 3.16Å; H709-F769 HydrophobicContact CB-CD1 3.75Å; H709-F769 HydrophobicContact CB-CD2 4.4Å; H709-F769 HydrophobicContact CB-CE1 3.63Å; H709-F769 HydrophobicContact CB-CE2 4.29Å; H709-F769 HydrophobicContact CB-CG 4.14Å; H709-F769 HydrophobicContact CB-CZ 3.91Å; H709-F769 AromaticContact CD2-CD1 3.93Å; H709-F769 AromaticContact CD2-CD2 3.33Å; H709-F769 WeakPolarHBondContact CD2-CD2 3.42Å; H709-F769 AromaticContact CD2-CE2 3.81Å; H709-F769 AromaticContact CD2-CG 3.39Å; H709-F769 WeakPolarHBondContact CD2-CG 3.16Å; H709-F769 AromaticContact CG-CD1 3.64Å; H709-F769 AromaticContact CG-CD2 3.91Å; H709-F769 AromaticContact CG-CG 3.58Å; H709-F769 AromaticContact ND1-CG 4Å; H709-F769 AromaticContact NE2-CD2 3.86Å; H709-F769 AromaticContact NE2-CG 3.73Å
710	E	96.4	Very high	91.6	Very high	127 Å²	127	35.9 Å²	35.9	59%	0.593	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.8	-174.5	-66.4	-164.5	167.1	0	0	114.1	K794	E710-K794 WeakPolarHBondContact O-CE 3.26Å; E710-K794 WeakPolarHBondContact O-CG 3.45Å
711	R	97.4	Very high	91.9	Very high	22 Å²	22	36.4 Å²	36.4	8%	0.083	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	10.8	-176.6	-48.1	-58.7	172	-129	-22.6	114.4	H709 D762 E765 A793 K794 I795	H709-R711 PolarHBondContact ND1-N 3.48Å; H709-R711 VanDerWaalsContact ND1-N 3.15Å; H709-R711 PolarHBondContact O-N 3.42Å; R711-D762 WeakPolarHBondContact CB-O 3.36Å; R711-D762 WeakPolarHBondContact CG-O 3.17Å; R711-D762 IonicContact CZ-OD1 3.29Å; R711-D762 IonicContact NE-OD1 3.63Å; R711-E765 HydrophobicContact CG-CB 4.04Å; R711-E765 HydrophobicContact CG-CG 3.92Å; R711-E765 VanDerWaalsContact CG-OE2 3.31Å; R711-E765 WeakPolarHBondContact CG-OE2 2.88Å; R711-E765 IonicContact CZ-OE2 3.64Å; R711-E765 IonicContact NE-OE2 3.82Å; R711-E765 PolarHBondContact NE-OE2 2.86Å; R711-E765 IonicContact NH2-OE2 2.76Å; R711-A793 WeakPolarHBondContact CD-O 3.25Å; R711-K794 CarbonylContact O-C 3.34Å; R711-K794 WeakPolarHBondContact O-CA 3.08Å; R711-I795 PolarHBondContact O-N 3.49Å
712	L	96.2	Very high	91.9	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-121.1	144.2	171.7	-62.1	-172.1	0	0	0	109.7	L706 H709 D714 F769 L770 I795	L706-L712 HydrophobicContact CD1-CD1 4.13Å; H709-L712 HydrophobicContact CB-CB 4.4Å; H709-L712 HydrophobicContact CB-CD1 4.46Å; H709-L712 HydrophobicContact CB-CG 4.27Å; H709-L712 PolarHBondContact O-N 3.26Å; H709-L712 VanDerWaalsContact O-N 3.16Å; L712-D714 PolarHBondContact O-N 2.99Å; L712-F769 HydrophobicContact CD1-CD1 3.53Å; L712-F769 HydrophobicContact CD1-CE1 3.63Å; L712-F769 HydrophobicContact CG-CD1 4.16Å; L712-L770 HydrophobicContact CD1-CD2 3.67Å; L712-L770 HydrophobicContact CD1-CG 4.03Å; L712-L770 HydrophobicContact CD2-CD1 3.94Å; L712-L770 HydrophobicContact CD2-CD2 4.32Å; L712-L770 HydrophobicContact CD2-CG 3.96Å; L712-I795 HydrophobicContact CD2-CB 3.84Å; L712-I795 HydrophobicContact CD2-CD1 4.39Å; L712-I795 HydrophobicContact CD2-CG1 4.5Å
713	V	94.6	Very high	91.9	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.079	22%	0.221	C	C	.	.			trans	-70.6	125.5	174.7	172	0	0	0	0	109.9	M736 E737 L739 L786 K794 I795	V713-M736 HydrophobicContact CG1-CB 4.08Å; V713-E737 HydrophobicContact CG1-CB 4.27Å; V713-L739 HydrophobicContact CG2-CD1 4.23Å; V713-L739 HydrophobicContact CG2-CD2 4.33Å; V713-L786 HydrophobicContact CG2-CD1 4.03Å; V713-K794 HydrophobicContact CG2-CB 3.83Å; V713-I795 PolarHBondContact N-O 2.67Å
714	D	92.3	Very high	91.9	Very high	29 Å²	29	45.2 Å²	45.2	16%	0.155	22%	0.223	C	C	.	.			trans	-67.8	132	178.7	-87.3	7.1	0	0	0	111	K708 L712 M736 E737	K708-D714 WeakPolarHBondContact CD-OD2 3.46Å; K708-D714 WeakPolarHBondContact CE-OD2 3.33Å; K708-D714 IonicContact NZ-OD2 3.31Å; K708-D714 PolarHBondContact NZ-OD2 2.94Å; L712-D714 PolarHBondContact O-N 2.99Å; D714-M736 CarbonylContact O-C 3.55Å; D714-M736 VanDerWaalsContact O-CA 3.28Å; D714-M736 WeakPolarHBondContact O-CA 3.36Å; D714-E737 HydrophobicContact CB-CB 4.15Å; D714-E737 PolarHBondContact O-N 2.95Å
715	L	92.5	Very high	91.7	Very high	37 Å²	37	44.5 Å²	44.5	19%	0.194	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.9	167.8	179.1	68.9	0	0	0	108.9	F700 M703 R704 L734 I735 M736	F700-L715 HydrophobicContact CD2-CD2 3.8Å; F700-L715 HydrophobicContact CE2-CD2 3.62Å; F700-L715 HydrophobicContact CE2-CG 4.39Å; M703-L715 HydrophobicContact CB-CD2 3.8Å; M703-L715 HydrophobicContact CE-CD2 4.29Å; R704-L715 HydrophobicContact CB-CD2 4.49Å; L715-L734 HydrophobicContact CD1-CB 4.2Å; L715-I735 WeakPolarHBondContact CD1-O 3.35Å; L715-M736 HydrophobicContact CD1-CG 3.83Å
716	H	91.4	Very high	91.6	Very high	32 Å²	32	45 Å²	45	15%	0.148	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-32.4	-179.1	-61	-38.7	0	0	0	112.8	H677 I735 E737	H677-H716 AromaticContact CD2-CG 3.75Å; H677-H716 AromaticContact CE1-ND1 3.68Å; H677-H716 AromaticContact CG-CD2 3.71Å; H677-H716 AromaticContact CG-CE1 3.89Å; H677-H716 AromaticContact CG-CG 3.58Å; H677-H716 AromaticContact CG-ND1 3.69Å; H677-H716 AromaticContact CG-NE2 3.9Å; H677-H716 AromaticContact ND1-CE1 3.55Å; H677-H716 AromaticContact ND1-CG 3.89Å; H677-H716 AromaticContact ND1-ND1 3.49Å; H677-H716 PolarHBondContact ND1-ND1 3.25Å; H677-H716 AromaticContact ND1-NE2 3.95Å; H677-H716 AromaticContact NE2-ND1 3.98Å; H716-I735 HydrophobicContact CB-CB 4.46Å; H716-I735 HydrophobicContact CB-CG2 4.11Å; H716-I735 PolarHBondContact N-O 3.48Å; H716-E737 PolarHBondContact NE2-N 3.46Å
717	G	92.1	Very high	91.3	Very high	4 Å²	4	46 Å²	46	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-173.8	179	0	0	0	0	0	114	I735	G717-I735 PolarHBondContact N-O 2.95Å; G717-I735 PolarHBondContact O-N 3.42Å
718	S	93.6	Very high	90.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.4	178	61.5	0	0	0	0	113	S644 D647 F700 L733	S644-S718 WeakPolarHBondContact CA-O 3.29Å; D647-S718 VanDerWaalsContact CB-O 3.28Å; D647-S718 WeakPolarHBondContact CB-O 3.4Å; D647-S718 PolarHBondContact OD2-N 2.89Å; F700-S718 WeakPolarHBondContact CE2-OG 3.48Å; F700-S718 WeakPolarHBondContact CZ-OG 3.48Å; S718-L733 CarbonylContact C-O 3.53Å; S718-L733 VanDerWaalsContact CA-O 3.26Å; S718-L733 WeakPolarHBondContact CA-O 3.44Å
719	V	95.5	Very high	90.4	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.3	174.7	170.6	0	0	0	0	110.3	S644 V648 K653 W674 L733 I735	S644-V719 WeakPolarHBondContact OG-CA 3.46Å; V648-V719 HydrophobicContact CG2-CB 3.94Å; V648-V719 HydrophobicContact CG2-CG1 3.32Å; V648-V719 HydrophobicContact CG2-CG2 3.56Å; K653-V719 HydrophobicContact CG-CG1 4.28Å; W674-V719 HydrophobicContact CZ2-CG2 3.93Å; V719-L733 HydrophobicContact CB-CB 4.37Å; V719-L733 HydrophobicContact CG1-CD1 4.37Å; V719-L733 PolarHBondContact N-O 3.42Å; V719-L733 WeakPolarHBondContact O-CA 3.31Å; V719-L733 VanDerWaalsContact O-CB 3.25Å; V719-L733 WeakPolarHBondContact O-CB 3.01Å; V719-L733 WeakPolarHBondContact O-CG 2.94Å; V719-L733 PolarHBondContact O-N 3.36Å; V719-I735 HydrophobicContact CG2-CD1 4.17Å
720	I	95.1	Very high	90.2	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.3	169.9	-58.3	170.6	0	0	0	108.6	L640 E641 S644 W693 Y722 I730 A731	L640-I720 HydrophobicContact CG-CD1 4.29Å; E641-I720 HydrophobicContact CB-CD1 4.21Å; E641-I720 HydrophobicContact CG-CD1 3.64Å; S644-I720 PolarHBondContact OG-N 3.31Å; W693-I720 HydrophobicContact CH2-CG2 4.09Å; W693-I720 HydrophobicContact CZ2-CD1 4.25Å; W693-I720 HydrophobicContact CZ2-CG1 4.47Å; W693-I720 HydrophobicContact CZ2-CG2 4.16Å; I720-Y722 HydrophobicContact CB-CE2 3.91Å; I720-Y722 HydrophobicContact CG2-CD1 4.17Å; I720-Y722 HydrophobicContact CG2-CD2 3.94Å; I720-Y722 HydrophobicContact CG2-CE1 3.81Å; I720-Y722 HydrophobicContact CG2-CE2 3.56Å; I720-Y722 HydrophobicContact CG2-CG 4.24Å; I720-Y722 VanDerWaalsContact CG2-CZ 3.5Å; I720-I730 HydrophobicContact CG2-CG2 3.56Å; I720-A731 CarbonylContact C-O 3.58Å; I720-A731 WeakPolarHBondContact CA-O 3.18Å
721	D	93	Very high	90	Very high	15 Å²	15	37.5 Å²	37.5	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	97.4	172.8	-172.4	19.3	0	0	0	111	K653 N723 I730 A731 L733	K653-D721 VanDerWaalsContact CE-CG 3.47Å; K653-D721 VanDerWaalsContact CE-OD2 3.31Å; K653-D721 WeakPolarHBondContact CE-OD2 3.26Å; K653-D721 IonicContact NZ-OD1 3.37Å; K653-D721 PolarHBondContact NZ-OD1 3.09Å; K653-D721 IonicContact NZ-OD2 3.65Å; K653-D721 PolarHBondContact NZ-OD2 3.47Å; D721-N723 PolarHBondContact O-N 3.32Å; D721-N723 PolarHBondContact OD1-N 3.39Å; D721-I730 WeakPolarHBondContact O-CA 3.27Å; D721-A731 PolarHBondContact N-O 3.09Å; D721-A731 PolarHBondContact O-N 2.86Å; D721-L733 HydrophobicContact CB-CD1 4.02Å; D721-L733 HydrophobicContact CB-CG 4.23Å
722	Y	89.6	Confident	89.8	Confident	68 Å²	68	36.4 Å²	36.4	27%	0.267	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-12.3	177.1	-60.8	-87.5	0	0	0	114.1	R42 I720 I730	R42-Y722 VanDerWaalsContact CZ-CD2 3.46Å; I720-Y722 HydrophobicContact CB-CE2 3.91Å; I720-Y722 HydrophobicContact CG2-CD1 4.17Å; I720-Y722 HydrophobicContact CG2-CD2 3.94Å; I720-Y722 HydrophobicContact CG2-CE1 3.81Å; I720-Y722 HydrophobicContact CG2-CE2 3.56Å; I720-Y722 HydrophobicContact CG2-CG 4.24Å; I720-Y722 VanDerWaalsContact CG2-CZ 3.5Å; Y722-I730 HydrophobicContact CD1-CD1 4.1Å; Y722-I730 HydrophobicContact CD1-CG1 4.42Å; Y722-I730 HydrophobicContact CD1-CG2 3.99Å; Y722-I730 HydrophobicContact CE1-CG2 4.4Å; Y722-I730 HydrophobicContact CG-CG2 4.48Å
723	N	87.4	Confident	89.7	Confident	114 Å²	114	36.1 Å²	36.1	61%	0.61	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	21.6	-178.4	-65.9	4	0	0	0	111.6	D721 G726 G727	D721-N723 PolarHBondContact O-N 3.32Å; D721-N723 PolarHBondContact OD1-N 3.39Å; N723-G726 PolarHBondContact O-N 2.71Å; N723-G727 PolarHBondContact O-N 2.93Å
724	Y	86.3	Confident	89.7	Confident	45 Å²	45	36 Å²	36	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	142.7	179.8	-167.3	-96.1	0	0	0	110.4	Y669 S684 V686 G726 G727 S728 S729 A731	Y669-Y724 PolarHBondContact OH-OH 3.43Å; S684-Y724 WeakPolarHBondContact OG-CE2 3.46Å; S684-Y724 PolarHBondContact OG-OH 3.4Å; V686-Y724 HydrophobicContact CG2-CD1 3.95Å; V686-Y724 HydrophobicContact CG2-CE1 3.78Å; Y724-G726 PolarHBondContact O-N 3.01Å; Y724-G727 PolarHBondContact O-N 3.4Å; Y724-G727 VanDerWaalsContact O-N 3.11Å; Y724-S728 PolarHBondContact O-N 3.49Å; Y724-S729 WeakPolarHBondContact CB-O 3.41Å; Y724-S729 PolarHBondContact N-O 2.76Å; Y724-S729 PolarHBondContact O-N 3.12Å; Y724-S729 VanDerWaalsContact O-O 3.05Å; Y724-A731 HydrophobicContact CD1-CB 3.92Å; Y724-A731 HydrophobicContact CD2-CB 3.61Å; Y724-A731 HydrophobicContact CE1-CB 4.47Å; Y724-A731 HydrophobicContact CE2-CB 4.2Å; Y724-A731 HydrophobicContact CG-CB 3.45Å; Y724-A731 VanDerWaalsContact CG-CB 3.45Å
725	G	81.4	Confident	89.8	Confident	57 Å²	57	34.6 Å²	34.6	59%	0.588	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	23.9	-175	0	0	0	0	0	114.6	S728	G725-S728 PolarHBondContact O-OG 2.95Å
726	G	81.9	Confident	89.8	Confident	82 Å²	82	33.5 Å²	33.5	85%	0.845	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	19.4	-175.9	0	0	0	0	0	113.9	N723 Y724	N723-G726 PolarHBondContact O-N 2.71Å; Y724-G726 PolarHBondContact O-N 3.01Å
727	G	81.6	Confident	89.9	Confident	48 Å²	48	34.1 Å²	34.1	50%	0.495	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	4	-178.6	0	0	0	0	0	114.3	N723 Y724 S729	N723-G727 PolarHBondContact O-N 2.93Å; Y724-G727 PolarHBondContact O-N 3.4Å; Y724-G727 VanDerWaalsContact O-N 3.11Å; G727-S729 VanDerWaalsContact C-N 3.29Å
728	S	80.9	Confident	90	Very high	94 Å²	94	37.5 Å²	37.5	66%	0.657	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.7	175.3	65.9	0	0	0	0	113.1	Y724 G725	Y724-S728 PolarHBondContact O-N 3.49Å; G725-S728 PolarHBondContact O-OG 2.95Å
729	S	85	Confident	90.1	Very high	47 Å²	47	38.3 Å²	38.3	33%	0.329	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	158.5	-174.7	-51.8	0	0	0	0	111.4	Y724 G727	Y724-S729 WeakPolarHBondContact CB-O 3.41Å; Y724-S729 PolarHBondContact N-O 2.76Å; Y724-S729 PolarHBondContact O-N 3.12Å; Y724-S729 VanDerWaalsContact O-O 3.05Å; G727-S729 VanDerWaalsContact C-N 3.29Å
730	I	90.2	Very high	90	Very high	67 Å²	67	43.5 Å²	43.5	34%	0.344	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.6	171.1	-50	175.7	0	0	0	107.5	W693 I720 D721 Y722	W693-I730 HydrophobicContact CH2-CB 3.87Å; W693-I730 HydrophobicContact CH2-CG2 3.21Å; W693-I730 HydrophobicContact CZ2-CG2 4.16Å; W693-I730 HydrophobicContact CZ3-CB 3.7Å; W693-I730 HydrophobicContact CZ3-CG2 3.62Å; I720-I730 HydrophobicContact CG2-CG2 3.56Å; D721-I730 WeakPolarHBondContact O-CA 3.27Å; Y722-I730 HydrophobicContact CD1-CD1 4.1Å; Y722-I730 HydrophobicContact CD1-CG1 4.42Å; Y722-I730 HydrophobicContact CD1-CG2 3.99Å; Y722-I730 HydrophobicContact CE1-CG2 4.4Å; Y722-I730 HydrophobicContact CG-CG2 4.48Å
731	A	92.2	Very high	90	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.6	175.4	0	0	0	0	0	111.3	V685 V686 I720 D721 Y724 L733	V685-A731 CarbonylContact O-C 3.6Å; V685-A731 VanDerWaalsContact O-CA 3.31Å; V685-A731 WeakPolarHBondContact O-CA 3.27Å; V686-A731 HydrophobicContact CG2-CB 4.02Å; I720-A731 CarbonylContact C-O 3.58Å; I720-A731 WeakPolarHBondContact CA-O 3.18Å; D721-A731 PolarHBondContact N-O 3.09Å; D721-A731 PolarHBondContact O-N 2.86Å; Y724-A731 HydrophobicContact CD1-CB 3.92Å; Y724-A731 HydrophobicContact CD2-CB 3.61Å; Y724-A731 HydrophobicContact CE1-CB 4.47Å; Y724-A731 HydrophobicContact CE2-CB 4.2Å; Y724-A731 HydrophobicContact CG-CB 3.45Å; Y724-A731 VanDerWaalsContact CG-CB 3.45Å; A731-L733 HydrophobicContact CB-CD2 4.31Å
732	V	93.5	Very high	90.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.9	165.3	-175.5	0	0	0	0	107.6	L640 V685 W693 L696 L734	L640-V732 HydrophobicContact CD1-CG1 4.32Å; L640-V732 HydrophobicContact CD2-CG1 4.15Å; L640-V732 HydrophobicContact CD2-CG2 4.08Å; V685-V732 PolarHBondContact N-O 3.48Å; V685-V732 PolarHBondContact O-N 2.87Å; W693-V732 HydrophobicContact CH2-CG2 3.66Å; W693-V732 HydrophobicContact CZ2-CG2 3.82Å; W693-V732 HydrophobicContact CZ3-CG2 4.37Å; L696-V732 HydrophobicContact CD2-CB 3.84Å; L696-V732 HydrophobicContact CD2-CG1 4.41Å; L696-V732 HydrophobicContact CD2-CG2 3.69Å; V732-L734 HydrophobicContact CG1-CD2 3.92Å
733	L	94.2	Very high	90.5	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.8	177.2	-49.6	177.7	0	0	0	108.4	P654 L656 L682 K683 S718 V719 D721 A731	P654-L733 HydrophobicContact CG-CD1 4.11Å; L656-L733 HydrophobicContact CD1-CD1 4.49Å; L682-L733 HydrophobicContact CD1-CB 3.89Å; L682-L733 HydrophobicContact CD2-CB 4.48Å; L682-L733 HydrophobicContact CD2-CD1 4.37Å; L682-L733 HydrophobicContact CD2-CD2 4.42Å; L682-L733 HydrophobicContact CG-CB 4.29Å; K683-L733 WeakPolarHBondContact O-CA 3.43Å; S718-L733 CarbonylContact C-O 3.53Å; S718-L733 VanDerWaalsContact CA-O 3.26Å; S718-L733 WeakPolarHBondContact CA-O 3.44Å; V719-L733 HydrophobicContact CB-CB 4.37Å; V719-L733 HydrophobicContact CG1-CD1 4.37Å; V719-L733 PolarHBondContact N-O 3.42Å; V719-L733 WeakPolarHBondContact O-CA 3.31Å; V719-L733 VanDerWaalsContact O-CB 3.25Å; V719-L733 WeakPolarHBondContact O-CB 3.01Å; V719-L733 WeakPolarHBondContact O-CG 2.94Å; V719-L733 PolarHBondContact O-N 3.36Å; D721-L733 HydrophobicContact CB-CD1 4.02Å; D721-L733 HydrophobicContact CB-CG 4.23Å; A731-L733 HydrophobicContact CB-CD2 4.31Å
734	L	93.6	Very high	90.9	Very high	11 Å²	11	42 Å²	42	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.9	176.8	-56.4	177.8	0	0	0	109.1	L682 K683 V685 F700 L715 V732	L682-L734 CarbonylContact C-O 3.52Å; L682-L734 WeakPolarHBondContact CA-O 3.43Å; K683-L734 HydrophobicContact CB-CB 4.35Å; K683-L734 PolarHBondContact N-O 2.76Å; K683-L734 PolarHBondContact O-N 3.34Å; V685-L734 HydrophobicContact CG2-CD1 4.34Å; F700-L734 HydrophobicContact CD2-CD2 3.77Å; F700-L734 HydrophobicContact CE2-CD2 4.25Å; L715-L734 HydrophobicContact CD1-CB 4.2Å; V732-L734 HydrophobicContact CG1-CD2 3.92Å
735	I	94.4	Very high	91.3	Very high	0 Å²	0	43 Å²	43	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118	179.2	-57	74.9	0	0	0	107.6	P654 W674 C680 L682 L715 H716 G717 V719	P654-I735 HydrophobicContact CB-CG1 4.4Å; P654-I735 HydrophobicContact CG-CD1 4.22Å; P654-I735 HydrophobicContact CG-CG1 4.26Å; W674-I735 HydrophobicContact CB-CG2 4.16Å; W674-I735 HydrophobicContact CD2-CB 4.38Å; W674-I735 HydrophobicContact CD2-CD1 4.44Å; W674-I735 HydrophobicContact CD2-CG1 3.81Å; W674-I735 HydrophobicContact CD2-CG2 4.12Å; W674-I735 HydrophobicContact CE3-CB 3.95Å; W674-I735 HydrophobicContact CE3-CD1 4.49Å; W674-I735 HydrophobicContact CE3-CG1 3.85Å; W674-I735 HydrophobicContact CE3-CG2 3.7Å; W674-I735 HydrophobicContact CG-CG1 4.27Å; W674-I735 HydrophobicContact CG-CG2 4.36Å; W674-I735 HydrophobicContact CH2-CD1 4.19Å; W674-I735 HydrophobicContact CH2-CG1 4.42Å; W674-I735 HydrophobicContact CZ2-CD1 4.16Å; W674-I735 HydrophobicContact CZ2-CG1 4.42Å; W674-I735 HydrophobicContact CZ3-CB 4.21Å; W674-I735 HydrophobicContact CZ3-CD1 4.37Å; W674-I735 HydrophobicContact CZ3-CG1 4.16Å; W674-I735 HydrophobicContact CZ3-CG2 4.4Å; C680-I735 HydrophobicContact CB-CG2 4.17Å; L682-I735 HydrophobicContact CD1-CB 4.49Å; L682-I735 HydrophobicContact CD1-CD1 3.97Å; L682-I735 HydrophobicContact CD1-CG1 3.63Å; L715-I735 WeakPolarHBondContact CD1-O 3.35Å; H716-I735 HydrophobicContact CB-CB 4.46Å; H716-I735 HydrophobicContact CB-CG2 4.11Å; H716-I735 PolarHBondContact N-O 3.48Å; G717-I735 PolarHBondContact N-O 2.95Å; G717-I735 PolarHBondContact O-N 3.42Å; V719-I735 HydrophobicContact CG2-CD1 4.17Å
736	M	93.8	Very high	92.1	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.069	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	163.1	-174.3	-59	175.6	-63	0	0	111.1	C680 A681 K683 V713 D714 L715	C680-M736 CarbonylContact C-O 3.33Å; C680-M736 WeakPolarHBondContact CA-O 3.49Å; A681-M736 PolarHBondContact N-O 3.46Å; A681-M736 PolarHBondContact O-N 3.18Å; K683-M736 HydrophobicContact CB-CE 3.55Å; K683-M736 HydrophobicContact CD-CE 4.3Å; V713-M736 HydrophobicContact CG1-CB 4.08Å; D714-M736 CarbonylContact O-C 3.55Å; D714-M736 VanDerWaalsContact O-CA 3.28Å; D714-M736 WeakPolarHBondContact O-CA 3.36Å; L715-M736 HydrophobicContact CD1-CG 3.83Å
737	E	93.3	Very high	92.8	Very high	45 Å²	45	36.7 Å²	36.7	21%	0.21	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	136.7	167	-174.5	-167.8	170.3	0	0	110.2	V713 D714 H716 L739 K794	V713-E737 HydrophobicContact CG1-CB 4.27Å; D714-E737 HydrophobicContact CB-CB 4.15Å; D714-E737 PolarHBondContact O-N 2.95Å; H716-E737 PolarHBondContact NE2-N 3.46Å; E737-L739 HydrophobicContact CB-CD1 4.29Å; E737-L739 HydrophobicContact CG-CD1 3.78Å; E737-K794 IonicContact OE1-NZ 3.03Å; E737-K794 PolarHBondContact OE1-NZ 3.27Å; E737-K794 IonicContact OE2-NZ 4Å; E737-K794 PolarHBondContact OE2-NZ 2.92Å
738	R	94.1	Very high	93.5	Very high	75 Å²	75	40.7 Å²	40.7	28%	0.283	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-99.6	125.6	174.8	-173.5	173.6	63	77.3	-6.1	112.1	L660 L670 P679 C680 A681	L660-R738 HydrophobicContact CD1-CG 4.48Å; L670-R738 VanDerWaalsContact CD1-NE 3.28Å; P679-R738 HydrophobicContact CB-CB 4.25Å; P679-R738 VanDerWaalsContact CB-NH2 3.34Å; P679-R738 HydrophobicContact CG-CB 4.39Å; P679-R738 PolarHBondContact O-N 2.8Å; C680-R738 VanDerWaalsContact C-CB 3.45Å; C680-R738 WeakPolarHBondContact O-CB 3.2Å; C680-R738 WeakPolarHBondContact O-CD 3.36Å; A681-R738 HydrophobicContact CB-CB 3.95Å; A681-R738 HydrophobicContact CB-CG 4.18Å
739	L	94.6	Very high	94.2	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.089	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-98.3	172.2	176.2	-82.5	67.9	0	0	0	111.3	V713 E737 L786 L787 K794	V713-L739 HydrophobicContact CG2-CD1 4.23Å; V713-L739 HydrophobicContact CG2-CD2 4.33Å; E737-L739 HydrophobicContact CB-CD1 4.29Å; E737-L739 HydrophobicContact CG-CD1 3.78Å; L739-L786 HydrophobicContact CB-CB 3.83Å; L739-L786 HydrophobicContact CB-CD1 4.25Å; L739-L786 HydrophobicContact CD2-CB 3.4Å; L739-L786 VanDerWaalsContact CD2-CB 3.4Å; L739-L786 HydrophobicContact CG-CB 4.18Å; L739-L787 WeakPolarHBondContact CB-O 3.44Å; L739-K794 HydrophobicContact CD1-CD 4.44Å; L739-K794 HydrophobicContact CD2-CB 3.72Å; L739-K794 HydrophobicContact CD2-CD 3.96Å; L739-K794 HydrophobicContact CD2-CG 3.85Å
740	H	94.3	Very high	94.6	Very high	111 Å²	111	39.9 Å²	39.9	51%	0.514	21%	0.211	S	C	.	.	S	Bend	trans	-72.3	-45.2	-172.9	179.1	53	0	0	0	112.4	L787 K789	H740-L787 WeakPolarHBondContact CA-O 3.37Å; H740-L787 WeakPolarHBondContact CB-O 3.41Å; H740-L787 PolarHBondContact N-O 3.49Å; H740-K789 HydrophobicContact CB-CG 4.38Å
741	R	93.9	Very high	95	Very high	59 Å²	59	37.5 Å²	37.5	22%	0.223	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	168.6	-178.3	59.4	-172.4	174.1	-177.8	-0.2	111.5	T745 L786 L787 N791	R741-T745 HydrophobicContact CB-CG2 4.41Å; R741-L786 CarbonylContact O-C 3.26Å; R741-L787 HydrophobicContact CG-CB 4.2Å; R741-L787 HydrophobicContact CG-CD1 4.43Å; R741-L787 PolarHBondContact N-O 2.92Å; R741-L787 PolarHBondContact O-N 3.29Å; R741-N791 PolarHBondContact NH2-OD1 3.24Å
742	D	95.7	Very high	95.1	Very high	37 Å²	37	41.5 Å²	41.5	20%	0.198	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	162.9	166.5	65	23.1	0	0	0	111.9	Y744 T745 G746 V785 L786	D742-Y744 VanDerWaalsContact C-N 3.27Å; D742-Y744 PolarHBondContact O-N 3.49Å; D742-Y744 PolarHBondContact OD1-N 3.01Å; D742-T745 PolarHBondContact O-N 3.07Å; D742-T745 WeakPolarHBondContact OD1-CB 3.37Å; D742-T745 PolarHBondContact OD1-N 3.19Å; D742-T745 PolarHBondContact OD1-OG1 3.25Å; D742-G746 PolarHBondContact O-N 2.91Å; D742-V785 CarbonylContact C-O 3.47Å; D742-V785 WeakPolarHBondContact CA-O 3.34Å; D742-L786 HydrophobicContact CB-CD2 3.81Å
743	L	97.6	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-31.7	179.5	177.1	58.2	0	0	0	111.8	T745 G746 L747 L751 I759 L782 V785 L787 L839 I843	L743-T745 VanDerWaalsContact C-N 3.34Å; L743-T745 PolarHBondContact O-N 3.12Å; L743-G746 PolarHBondContact O-N 2.91Å; L743-L747 HydrophobicContact CD1-CD2 4.23Å; L743-L747 HydrophobicContact CD1-CG 4.02Å; L743-L747 HydrophobicContact CG-CG 4.35Å; L743-L747 WeakPolarHBondContact O-CG 3.28Å; L743-L747 PolarHBondContact O-N 2.87Å; L743-L751 HydrophobicContact CD1-CD1 4.13Å; L743-I759 HydrophobicContact CD1-CD1 3.99Å; L743-I759 HydrophobicContact CD1-CG2 3.95Å; L743-I759 HydrophobicContact CD2-CG2 3.87Å; L743-L782 WeakPolarHBondContact CB-O 3.26Å; L743-L782 HydrophobicContact CD2-CD2 3.76Å; L743-L782 HydrophobicContact CG-CD2 3.77Å; L743-L782 PolarHBondContact N-O 2.85Å; L743-V785 HydrophobicContact CB-CB 3.9Å; L743-V785 HydrophobicContact CB-CG1 4.04Å; L743-V785 WeakPolarHBondContact CB-O 3.44Å; L743-V785 HydrophobicContact CD2-CB 4.05Å; L743-V785 HydrophobicContact CD2-CG1 3.98Å; L743-V785 HydrophobicContact CD2-CG2 4.47Å; L743-V785 PolarHBondContact N-O 3.49Å; L743-L787 HydrophobicContact CD1-CD1 4.21Å; L743-L839 HydrophobicContact CD2-CD1 4.15Å; L743-I843 HydrophobicContact CD2-CD1 4.23Å; L743-I843 HydrophobicContact CD2-CG1 4.15Å
744	Y	96.3	Very high	95.3	Very high	72 Å²	72	50.1 Å²	50.1	28%	0.282	27%	0.265	S	S	.	.	H	α-helix	trans	-56.3	-48.6	173.2	179.6	-87.2	0	0	0	111.6	D742 K748 L782 V848	D742-Y744 VanDerWaalsContact C-N 3.27Å; D742-Y744 PolarHBondContact O-N 3.49Å; D742-Y744 PolarHBondContact OD1-N 3.01Å; Y744-K748 HydrophobicContact CE1-CD 3.9Å; Y744-K748 VanDerWaalsContact CE1-CE 3.41Å; Y744-K748 HydrophobicContact CE1-CG 4.49Å; Y744-K748 VanDerWaalsContact CZ-CE 3.47Å; Y744-K748 PolarHBondContact O-N 3.37Å; Y744-K748 WeakPolarHBondContact OH-CE 3.43Å; Y744-K748 PolarHBondContact OH-NZ 3.18Å; Y744-K748 VanDerWaalsContact OH-NZ 3.08Å; Y744-L782 HydrophobicContact CD2-CD1 4.21Å; Y744-L782 PolarHBondContact N-O 3.26Å; Y744-V848 HydrophobicContact CD2-CB 3.82Å; Y744-V848 HydrophobicContact CD2-CG1 3.68Å; Y744-V848 HydrophobicContact CD2-CG2 4.45Å; Y744-V848 HydrophobicContact CE2-CB 3.5Å; Y744-V848 VanDerWaalsContact CE2-CB 3.5Å; Y744-V848 HydrophobicContact CE2-CG1 3.86Å; Y744-V848 HydrophobicContact CE2-CG2 3.78Å; Y744-V848 HydrophobicContact CG-CG1 4.15Å
745	T	95.9	Very high	95.5	Very high	67 Å²	67	51.4 Å²	51.4	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-68.5	-38.1	176.8	-53.6	0	0	0	0	111	R741 D742 L743 K748 A749	R741-T745 HydrophobicContact CB-CG2 4.41Å; D742-T745 PolarHBondContact O-N 3.07Å; D742-T745 WeakPolarHBondContact OD1-CB 3.37Å; D742-T745 PolarHBondContact OD1-N 3.19Å; D742-T745 PolarHBondContact OD1-OG1 3.25Å; L743-T745 VanDerWaalsContact C-N 3.34Å; L743-T745 PolarHBondContact O-N 3.12Å; T745-K748 PolarHBondContact O-N 3.3Å; T745-A749 WeakPolarHBondContact O-CB 3.49Å; T745-A749 PolarHBondContact O-N 3.23Å
746	G	96.9	Very high	95.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.8	-53.1	173.4	0	0	0	0	0	112.5	D742 L743 K748 A749 G750 L751	D742-G746 PolarHBondContact O-N 2.91Å; L743-G746 PolarHBondContact O-N 2.91Å; G746-K748 PolarHBondContact O-N 3.2Å; G746-A749 WeakPolarHBondContact O-CA 3.43Å; G746-A749 WeakPolarHBondContact O-CB 3.49Å; G746-A749 PolarHBondContact O-N 3.25Å; G746-G750 PolarHBondContact O-N 3.19Å; G746-L751 WeakPolarHBondContact O-CG 3.41Å
747	L	96.9	Very high	95.8	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-42.4	178.6	-68	-177.1	0	0	0	112.1	L743 A749 G750 L751 R756 L782 V848	L743-L747 HydrophobicContact CD1-CD2 4.23Å; L743-L747 HydrophobicContact CD1-CG 4.02Å; L743-L747 HydrophobicContact CG-CG 4.35Å; L743-L747 WeakPolarHBondContact O-CG 3.28Å; L743-L747 PolarHBondContact O-N 2.87Å; L747-A749 PolarHBondContact O-N 2.81Å; L747-G750 PolarHBondContact O-N 3.47Å; L747-L751 HydrophobicContact CD2-CD1 4.4Å; L747-R756 VanDerWaalsContact CD2-CD 3.49Å; L747-R756 HydrophobicContact CD2-CG 3.85Å; L747-L782 HydrophobicContact CD1-CD1 4.5Å; L747-L782 HydrophobicContact CD1-CD2 3.6Å; L747-V848 HydrophobicContact CB-CG1 3.86Å; L747-V848 HydrophobicContact CD1-CG1 4.29Å
748	K	96	Very high	96	Very high	133 Å²	133	52.4 Å²	52.4	58%	0.578	28%	0.277	S	S	*	.	H	α-helix	trans	-59.7	-31	174	-80.9	-164.6	176.7	-177.9	0	113.5	Y744 T745 G746 G750 V848	Y744-K748 HydrophobicContact CE1-CD 3.9Å; Y744-K748 VanDerWaalsContact CE1-CE 3.41Å; Y744-K748 HydrophobicContact CE1-CG 4.49Å; Y744-K748 VanDerWaalsContact CZ-CE 3.47Å; Y744-K748 PolarHBondContact O-N 3.37Å; Y744-K748 WeakPolarHBondContact OH-CE 3.43Å; Y744-K748 PolarHBondContact OH-NZ 3.18Å; Y744-K748 VanDerWaalsContact OH-NZ 3.08Å; T745-K748 PolarHBondContact O-N 3.3Å; G746-K748 PolarHBondContact O-N 3.2Å; K748-G750 VanDerWaalsContact C-N 3.25Å; K748-G750 PolarHBondContact O-N 3.47Å; K748-V848 HydrophobicContact CD-CG2 4.29Å; K748-V848 HydrophobicContact CG-CG1 4.25Å; K748-V848 HydrophobicContact CG-CG2 3.74Å
749	A	95.3	Very high	96.3	Very high	63 Å²	63	48.9 Å²	48.9	52%	0.521	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.1	177.9	0	0	0	0	0	113.6	T745 G746 L747	T745-A749 WeakPolarHBondContact O-CB 3.49Å; T745-A749 PolarHBondContact O-N 3.23Å; G746-A749 WeakPolarHBondContact O-CA 3.43Å; G746-A749 WeakPolarHBondContact O-CB 3.49Å; G746-A749 PolarHBondContact O-N 3.25Å; L747-A749 PolarHBondContact O-N 2.81Å
750	G	94.9	Very high	96.4	Very high	60 Å²	60	48 Å²	48	62%	0.619	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	55.6	173.8	0	0	0	0	0	114.5	G746 L747 K748	G746-G750 PolarHBondContact O-N 3.19Å; L747-G750 PolarHBondContact O-N 3.47Å; K748-G750 VanDerWaalsContact C-N 3.25Å; K748-G750 PolarHBondContact O-N 3.47Å
751	L	96.7	Very high	96.6	Very high	18 Å²	18	43 Å²	43	9%	0.094	24%	0.236	C	C	.	.			trans	-62.9	137.3	172.5	-70.6	171	0	0	0	111.9	L743 G746 L747 T755 R756 I759 L787 N791	L743-L751 HydrophobicContact CD1-CD1 4.13Å; G746-L751 WeakPolarHBondContact O-CG 3.41Å; L747-L751 HydrophobicContact CD2-CD1 4.4Å; L751-T755 HydrophobicContact CD2-CG2 3.93Å; L751-R756 HydrophobicContact CB-CG 3.69Å; L751-R756 WeakPolarHBondContact O-CD 3.31Å; L751-R756 PolarHBondContact O-NE 3.28Å; L751-I759 HydrophobicContact CD1-CD1 3.7Å; L751-L787 HydrophobicContact CD1-CD1 4Å; L751-N791 HydrophobicContact CD2-CB 4.35Å
752	T	95.8	Very high	96.9	Very high	83 Å²	83	40.3 Å²	40.3	51%	0.509	23%	0.226	S	C	.	.			trans	-63.1	158.1	175.6	67.7	0	0	0	0	111	E754 T755 R756	T752-E754 VanDerWaalsContact C-N 3.32Å; T752-E754 PolarHBondContact O-N 3.43Å; T752-T755 PolarHBondContact O-N 2.87Å; T752-T755 PolarHBondContact OG1-N 3.42Å; T752-T755 PolarHBondContact OG1-OG1 2.8Å; T752-T755 VanDerWaalsContact OG1-OG1 3.05Å; T752-R756 WeakPolarHBondContact O-CB 3.24Å; T752-R756 VanDerWaalsContact O-CG 3.25Å; T752-R756 WeakPolarHBondContact O-CG 3.47Å; T752-R756 PolarHBondContact O-N 2.75Å; T752-R756 PolarHBondContact O-NE 3.25Å
753	L	94.9	Very high	97	Very high	60 Å²	60	38.5 Å²	38.5	31%	0.314	22%	0.216	S	C	.	.	H	α-helix	trans	-58.9	-44.1	178.4	179.7	61.7	0	0	0	111.8	T755 R756 L757 L915	L753-T755 PolarHBondContact O-N 3.28Å; L753-R756 WeakPolarHBondContact O-CB 3.22Å; L753-R756 PolarHBondContact O-N 2.99Å; L753-R756 VanDerWaalsContact O-N 3.16Å; L753-L757 HydrophobicContact CD1-CD1 4.26Å; L753-L757 HydrophobicContact CD1-CG 4.13Å; L753-L757 HydrophobicContact CG-CD1 4.12Å; L753-L757 HydrophobicContact CG-CG 4.38Å; L753-L757 WeakPolarHBondContact O-CG 3.35Å; L753-L757 PolarHBondContact O-N 3.4Å; L753-L915 HydrophobicContact CD2-CD1 4.47Å
754	E	95.7	Very high	97	Very high	122 Å²	122	38.5 Å²	38.5	57%	0.57	22%	0.216	S	C	*	.	H	α-helix	trans	-56.2	-51.2	177.2	-179.3	-178.3	-175.6	0	0	111.7	T752 R756 L757 Q758	T752-E754 VanDerWaalsContact C-N 3.32Å; T752-E754 PolarHBondContact O-N 3.43Å; E754-R756 VanDerWaalsContact C-N 3.29Å; E754-R756 PolarHBondContact O-N 3.02Å; E754-L757 PolarHBondContact O-N 3.45Å; E754-Q758 PolarHBondContact O-N 3.34Å
755	T	97.6	Very high	97.1	Very high	37 Å²	37	37.9 Å²	37.9	23%	0.227	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-37.5	177.7	-55.8	0	0	0	0	111.8	L751 T752 L753 Q758 I759 N791	L751-T755 HydrophobicContact CD2-CG2 3.93Å; T752-T755 PolarHBondContact O-N 2.87Å; T752-T755 PolarHBondContact OG1-N 3.42Å; T752-T755 PolarHBondContact OG1-OG1 2.8Å; T752-T755 VanDerWaalsContact OG1-OG1 3.05Å; L753-T755 PolarHBondContact O-N 3.28Å; T755-Q758 PolarHBondContact O-N 3.1Å; T755-I759 HydrophobicContact CG2-CD1 4.01Å; T755-I759 WeakPolarHBondContact O-CD1 3.37Å; T755-I759 VanDerWaalsContact O-CG1 3.25Å; T755-I759 WeakPolarHBondContact O-CG1 3.48Å; T755-I759 PolarHBondContact O-N 2.85Å; T755-N791 HydrophobicContact CG2-CB 3.51Å
756	R	97.9	Very high	97.2	Very high	31 Å²	31	34.7 Å²	34.7	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-44.4	176.3	-75.1	-176.7	-63.3	139.7	-9.2	111.7	L747 L751 T752 L753 E754 I759 A760 I843 C844	L747-R756 VanDerWaalsContact CD2-CD 3.49Å; L747-R756 HydrophobicContact CD2-CG 3.85Å; L751-R756 HydrophobicContact CB-CG 3.69Å; L751-R756 WeakPolarHBondContact O-CD 3.31Å; L751-R756 PolarHBondContact O-NE 3.28Å; T752-R756 WeakPolarHBondContact O-CB 3.24Å; T752-R756 VanDerWaalsContact O-CG 3.25Å; T752-R756 WeakPolarHBondContact O-CG 3.47Å; T752-R756 PolarHBondContact O-N 2.75Å; T752-R756 PolarHBondContact O-NE 3.25Å; L753-R756 WeakPolarHBondContact O-CB 3.22Å; L753-R756 PolarHBondContact O-N 2.99Å; L753-R756 VanDerWaalsContact O-N 3.16Å; E754-R756 VanDerWaalsContact C-N 3.29Å; E754-R756 PolarHBondContact O-N 3.02Å; R756-I759 WeakPolarHBondContact O-CB 3.46Å; R756-I759 PolarHBondContact O-N 2.88Å; R756-A760 PolarHBondContact O-N 3.48Å; R756-I843 HydrophobicContact CB-CG2 3.73Å; R756-I843 VanDerWaalsContact CD-O 3.28Å; R756-I843 WeakPolarHBondContact CD-O 3.34Å; R756-I843 PolarHBondContact NH1-O 3.14Å; R756-I843 WeakPolarHBondContact O-CG2 3.45Å; R756-C844 PolarHBondContact NH1-O 2.93Å
757	L	97.8	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-38.2	176.4	-66	178	0	0	0	112	L753 E754 I759 A760 L761 F840 L908 M912 L915	L753-L757 HydrophobicContact CD1-CD1 4.26Å; L753-L757 HydrophobicContact CD1-CG 4.13Å; L753-L757 HydrophobicContact CG-CD1 4.12Å; L753-L757 HydrophobicContact CG-CG 4.38Å; L753-L757 WeakPolarHBondContact O-CG 3.35Å; L753-L757 PolarHBondContact O-N 3.4Å; E754-L757 PolarHBondContact O-N 3.45Å; L757-I759 VanDerWaalsContact C-N 3.32Å; L757-I759 PolarHBondContact O-N 3.34Å; L757-A760 WeakPolarHBondContact O-CB 3.4Å; L757-A760 PolarHBondContact O-N 3.24Å; L757-A760 VanDerWaalsContact O-N 3.14Å; L757-L761 PolarHBondContact O-N 3.37Å; L757-F840 HydrophobicContact CD2-CE2 3.91Å; L757-F840 HydrophobicContact CD2-CZ 4.18Å; L757-L908 HydrophobicContact CD2-CD1 4.26Å; L757-M912 HydrophobicContact CB-CB 4.15Å; L757-M912 HydrophobicContact CB-CG 3.83Å; L757-M912 HydrophobicContact CB-SD 3.9Å; L757-M912 HydrophobicContact CD1-CB 4.16Å; L757-M912 HydrophobicContact CD1-CG 4.16Å; L757-L915 HydrophobicContact CD1-CB 4.48Å; L757-L915 HydrophobicContact CD1-CD1 4.08Å
758	Q	98.3	Very high	97.3	Very high	50 Å²	50	39.1 Å²	39.1	23%	0.234	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-41	172.9	-175.7	59.3	66.7	0	0	111.9	E754 T755 A760 L761 D762 M912	E754-Q758 PolarHBondContact O-N 3.34Å; T755-Q758 PolarHBondContact O-N 3.1Å; Q758-A760 VanDerWaalsContact C-N 3.32Å; Q758-A760 PolarHBondContact O-N 3.37Å; Q758-L761 WeakPolarHBondContact O-CB 3.13Å; Q758-L761 PolarHBondContact O-N 3.31Å; Q758-D762 PolarHBondContact NE2-OD1 3.45Å; Q758-D762 VanDerWaalsContact O-CG 3.28Å; Q758-D762 PolarHBondContact O-N 3.36Å; Q758-M912 HydrophobicContact CB-SD 4.29Å
759	I	98.6	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-39.8	174.2	-73	161.6	0	0	0	111.2	L743 L751 T755 R756 L757 L761 D762 V763 V785 L787 N791 A793 I843	L743-I759 HydrophobicContact CD1-CD1 3.99Å; L743-I759 HydrophobicContact CD1-CG2 3.95Å; L743-I759 HydrophobicContact CD2-CG2 3.87Å; L751-I759 HydrophobicContact CD1-CD1 3.7Å; T755-I759 HydrophobicContact CG2-CD1 4.01Å; T755-I759 WeakPolarHBondContact O-CD1 3.37Å; T755-I759 VanDerWaalsContact O-CG1 3.25Å; T755-I759 WeakPolarHBondContact O-CG1 3.48Å; T755-I759 PolarHBondContact O-N 2.85Å; R756-I759 WeakPolarHBondContact O-CB 3.46Å; R756-I759 PolarHBondContact O-N 2.88Å; L757-I759 VanDerWaalsContact C-N 3.32Å; L757-I759 PolarHBondContact O-N 3.34Å; I759-L761 VanDerWaalsContact C-N 3.33Å; I759-L761 PolarHBondContact O-N 3.42Å; I759-D762 WeakPolarHBondContact O-CB 3.43Å; I759-D762 PolarHBondContact O-N 3.24Å; I759-V763 HydrophobicContact CG2-CG2 4.49Å; I759-V763 VanDerWaalsContact O-CG2 3.3Å; I759-V763 WeakPolarHBondContact O-CG2 3.47Å; I759-V763 PolarHBondContact O-N 3.07Å; I759-V785 HydrophobicContact CG2-CG1 4.35Å; I759-L787 HydrophobicContact CD1-CD1 4.02Å; I759-L787 HydrophobicContact CD1-CD2 3.71Å; I759-L787 HydrophobicContact CG1-CD2 3.84Å; I759-L787 HydrophobicContact CG2-CD2 4.37Å; I759-N791 WeakPolarHBondContact CG1-O 3.19Å; I759-A793 HydrophobicContact CB-CB 4.35Å; I759-A793 HydrophobicContact CG1-CB 4.29Å; I759-A793 HydrophobicContact CG2-CB 3.89Å; I759-I843 HydrophobicContact CG2-CD1 4.35Å
760	A	98.4	Very high	97.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-40.7	175.8	0	0	0	0	0	111.8	R756 L757 Q758 V763 V764 F836 F840 I843 L908	R756-A760 PolarHBondContact O-N 3.48Å; L757-A760 WeakPolarHBondContact O-CB 3.4Å; L757-A760 PolarHBondContact O-N 3.24Å; L757-A760 VanDerWaalsContact O-N 3.14Å; Q758-A760 VanDerWaalsContact C-N 3.32Å; Q758-A760 PolarHBondContact O-N 3.37Å; A760-V763 PolarHBondContact O-N 2.9Å; A760-V764 WeakPolarHBondContact O-CG2 2.86Å; A760-V764 PolarHBondContact O-N 3.27Å; A760-F836 HydrophobicContact CB-CE2 4.32Å; A760-F836 HydrophobicContact CB-CZ 4.39Å; A760-F840 HydrophobicContact CB-CD2 3.8Å; A760-F840 HydrophobicContact CB-CE2 3.9Å; A760-I843 HydrophobicContact CB-CD1 3.85Å; A760-I843 HydrophobicContact CB-CG2 4.24Å; A760-L908 HydrophobicContact CB-CD1 4.46Å; A760-L908 HydrophobicContact CB-CD2 3.61Å
761	L	98.4	Very high	97.1	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-46.4	174.4	-76	167	0	0	0	112	L757 Q758 I759 V763 V764 E765 Q905 L908 Q909 M912	L757-L761 PolarHBondContact O-N 3.37Å; Q758-L761 WeakPolarHBondContact O-CB 3.13Å; Q758-L761 PolarHBondContact O-N 3.31Å; I759-L761 VanDerWaalsContact C-N 3.33Å; I759-L761 PolarHBondContact O-N 3.42Å; L761-V763 VanDerWaalsContact C-N 3.28Å; L761-V763 PolarHBondContact O-N 3.24Å; L761-V764 PolarHBondContact O-N 2.91Å; L761-E765 WeakPolarHBondContact O-CB 3.4Å; L761-E765 PolarHBondContact O-N 3.42Å; L761-Q905 HydrophobicContact CD2-CG 4.13Å; L761-L908 HydrophobicContact CB-CD2 4.48Å; L761-L908 HydrophobicContact CD2-CB 3.99Å; L761-L908 HydrophobicContact CD2-CD2 3.81Å; L761-L908 HydrophobicContact CD2-CG 3.81Å; L761-L908 HydrophobicContact CG-CD2 3.83Å; L761-L908 HydrophobicContact CG-CG 3.94Å; L761-Q909 VanDerWaalsContact CD1-OE1 3.3Å; L761-Q909 HydrophobicContact CD2-CB 4.27Å; L761-M912 HydrophobicContact CD1-CE 3.35Å; L761-M912 HydrophobicContact CD1-SD 3.68Å
762	D	98.6	Very high	96.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-58.2	-41	177.2	-73.6	3.9	0	0	0	111.6	R711 Q758 I759 G766 R792 A793	R711-D762 WeakPolarHBondContact CB-O 3.36Å; R711-D762 WeakPolarHBondContact CG-O 3.17Å; R711-D762 IonicContact CZ-OD1 3.29Å; R711-D762 IonicContact NE-OD1 3.63Å; Q758-D762 PolarHBondContact NE2-OD1 3.45Å; Q758-D762 VanDerWaalsContact O-CG 3.28Å; Q758-D762 PolarHBondContact O-N 3.36Å; I759-D762 WeakPolarHBondContact O-CB 3.43Å; I759-D762 PolarHBondContact O-N 3.24Å; D762-G766 PolarHBondContact O-N 3.05Å; D762-R792 IonicContact OD1-CZ 2.75Å; D762-R792 IonicContact OD1-NE 2.64Å; D762-R792 PolarHBondContact OD1-NE 2.92Å; D762-R792 IonicContact OD1-NH2 3.63Å; D762-R792 PolarHBondContact OD1-NH2 3.3Å; D762-R792 WeakPolarHBondContact OD2-CA 3.37Å; D762-R792 IonicContact OD2-CZ 2.66Å; D762-R792 IonicContact OD2-NE 2.97Å; D762-R792 PolarHBondContact OD2-NE 3.26Å; D762-R792 IonicContact OD2-NH2 3.22Å; D762-A793 HydrophobicContact CB-CB 3.7Å; D762-A793 PolarHBondContact OD2-N 2.87Å
763	V	98.6	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-45.9	176	172.2	0	0	0	0	111.2	I759 A760 L761 E765 G766 I767 V785 A793 I795 F836 L839	I759-V763 HydrophobicContact CG2-CG2 4.49Å; I759-V763 VanDerWaalsContact O-CG2 3.3Å; I759-V763 WeakPolarHBondContact O-CG2 3.47Å; I759-V763 PolarHBondContact O-N 3.07Å; A760-V763 PolarHBondContact O-N 2.9Å; L761-V763 VanDerWaalsContact C-N 3.28Å; L761-V763 PolarHBondContact O-N 3.24Å; V763-E765 VanDerWaalsContact C-N 3.29Å; V763-E765 PolarHBondContact O-N 3.31Å; V763-G766 PolarHBondContact O-N 3.49Å; V763-I767 HydrophobicContact CG1-CD1 3.76Å; V763-I767 HydrophobicContact CG1-CG1 4.26Å; V763-I767 WeakPolarHBondContact O-CG1 3.43Å; V763-I767 PolarHBondContact O-N 2.81Å; V763-V785 HydrophobicContact CG2-CB 4.48Å; V763-V785 HydrophobicContact CG2-CG1 3.77Å; V763-V785 HydrophobicContact CG2-CG2 3.8Å; V763-A793 HydrophobicContact CG2-CB 4.38Å; V763-I795 HydrophobicContact CG1-CD1 4.36Å; V763-F836 HydrophobicContact CG1-CD2 4.05Å; V763-F836 HydrophobicContact CG1-CE2 4.47Å; V763-L839 HydrophobicContact CG1-CD2 3.92Å; V763-L839 HydrophobicContact CG2-CD2 4.38Å
764	V	98.3	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-44.1	177	171.4	0	0	0	0	110.7	A760 L761 G766 I767 R768 F836 L901 V904 Q905 L908	A760-V764 WeakPolarHBondContact O-CG2 2.86Å; A760-V764 PolarHBondContact O-N 3.27Å; L761-V764 PolarHBondContact O-N 2.91Å; V764-G766 PolarHBondContact O-N 3.37Å; V764-I767 PolarHBondContact O-N 3.29Å; V764-R768 HydrophobicContact CG1-CG 4.32Å; V764-R768 WeakPolarHBondContact O-CB 3.43Å; V764-R768 VanDerWaalsContact O-CG 3.25Å; V764-R768 WeakPolarHBondContact O-CG 3.43Å; V764-R768 PolarHBondContact O-N 2.82Å; V764-F836 HydrophobicContact CG2-CD1 4.35Å; V764-F836 HydrophobicContact CG2-CD2 3.94Å; V764-F836 HydrophobicContact CG2-CE1 3.84Å; V764-F836 HydrophobicContact CG2-CE2 3.38Å; V764-F836 HydrophobicContact CG2-CG 4.39Å; V764-F836 HydrophobicContact CG2-CZ 3.33Å; V764-L901 HydrophobicContact CG1-CB 4.31Å; V764-L901 HydrophobicContact CG1-CD2 4.24Å; V764-V904 HydrophobicContact CG1-CG1 4.45Å; V764-V904 HydrophobicContact CG2-CG1 3.95Å; V764-Q905 HydrophobicContact CG1-CB 3.77Å; V764-Q905 HydrophobicContact CG1-CG 4.39Å; V764-L908 HydrophobicContact CG2-CD2 4.32Å
765	E	98.3	Very high	95.9	Very high	58 Å²	58	26 Å²	26	27%	0.271	14%	0.135	S	C	.	.	H	α-helix	trans	-60.1	-44.8	176.4	-176	-174	-171	0	0	111.6	R711 L761 V763 R768 F769	R711-E765 HydrophobicContact CG-CB 4.04Å; R711-E765 HydrophobicContact CG-CG 3.92Å; R711-E765 VanDerWaalsContact CG-OE2 3.31Å; R711-E765 WeakPolarHBondContact CG-OE2 2.88Å; R711-E765 IonicContact CZ-OE2 3.64Å; R711-E765 IonicContact NE-OE2 3.82Å; R711-E765 PolarHBondContact NE-OE2 2.86Å; R711-E765 IonicContact NH2-OE2 2.76Å; L761-E765 WeakPolarHBondContact O-CB 3.4Å; L761-E765 PolarHBondContact O-N 3.42Å; V763-E765 VanDerWaalsContact C-N 3.29Å; V763-E765 PolarHBondContact O-N 3.31Å; E765-R768 PolarHBondContact O-N 3.15Å; E765-F769 PolarHBondContact O-N 3.42Å
766	G	97.8	Very high	95.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-43.6	175.6	0	0	0	0	0	113.9	D762 V763 V764 F769 L770	D762-G766 PolarHBondContact O-N 3.05Å; V763-G766 PolarHBondContact O-N 3.49Å; V764-G766 PolarHBondContact O-N 3.37Å; G766-F769 PolarHBondContact O-N 3.26Å; G766-L770 PolarHBondContact O-N 2.84Å; G766-L770 VanDerWaalsContact O-N 3.08Å
767	I	97.9	Very high	95.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-42.8	177.6	-59.2	167.5	0	0	0	110.3	V763 V764 F769 L770 H771 I780 I795 D832 F836 L901	V763-I767 HydrophobicContact CG1-CD1 3.76Å; V763-I767 HydrophobicContact CG1-CG1 4.26Å; V763-I767 WeakPolarHBondContact O-CG1 3.43Å; V763-I767 PolarHBondContact O-N 2.81Å; V764-I767 PolarHBondContact O-N 3.29Å; I767-F769 VanDerWaalsContact C-N 3.28Å; I767-F769 PolarHBondContact O-N 2.73Å; I767-L770 PolarHBondContact O-N 3.22Å; I767-H771 WeakPolarHBondContact CG2-NE2 3.48Å; I767-H771 PolarHBondContact O-CD2 3.41Å; I767-H771 PolarHBondContact O-N 2.9Å; I767-I780 HydrophobicContact CD1-CD1 4.06Å; I767-I780 HydrophobicContact CD1-CG1 4Å; I767-I780 HydrophobicContact CD1-CG2 4.25Å; I767-I780 HydrophobicContact CG1-CD1 3.9Å; I767-I780 HydrophobicContact CG1-CG1 4.29Å; I767-I795 HydrophobicContact CG1-CD1 3.73Å; I767-D832 HydrophobicContact CG2-CB 3.8Å; I767-F836 HydrophobicContact CD1-CB 4.17Å; I767-L901 HydrophobicContact CB-CD1 3.79Å; I767-L901 HydrophobicContact CG2-CD1 3.29Å
768	R	96.9	Very high	95.1	Very high	100 Å²	100	23.9 Å²	23.9	38%	0.377	12%	0.123	S	C	.	.	H	α-helix	trans	-56.6	-44	175.3	-78.2	-177.8	67.5	165.4	4.1	111.9	V764 E765 H771 S772 L901 Q905	V764-R768 HydrophobicContact CG1-CG 4.32Å; V764-R768 WeakPolarHBondContact O-CB 3.43Å; V764-R768 VanDerWaalsContact O-CG 3.25Å; V764-R768 WeakPolarHBondContact O-CG 3.43Å; V764-R768 PolarHBondContact O-N 2.82Å; E765-R768 PolarHBondContact O-N 3.15Å; R768-H771 PolarHBondContact O-N 3.04Å; R768-S772 WeakPolarHBondContact O-CB 3.25Å; R768-S772 PolarHBondContact O-N 3.37Å; R768-L901 HydrophobicContact CG-CB 3.4Å; R768-L901 VanDerWaalsContact CG-CB 3.4Å; R768-L901 HydrophobicContact CG-CD1 4.18Å; R768-L901 HydrophobicContact CG-CG 4.42Å; R768-Q905 VanDerWaalsContact CD-OE1 3.27Å
769	F	96.1	Very high	94.8	Very high	30 Å²	30	21.6 Å²	21.6	13%	0.132	11%	0.113	C	C	.	.	H	α-helix	trans	-61.1	-49.8	176.7	175.3	-100.1	0	0	0	111	L706 P707 H709 L712 E765 G766 I767 H771 S772 Q773	L706-F769 HydrophobicContact CD2-CE1 4.25Å; P707-F769 HydrophobicContact CB-CZ 4.06Å; P707-F769 HydrophobicContact CG-CZ 4.21Å; P707-F769 WeakPolarHBondContact O-CZ 3.39Å; H709-F769 HydrophobicContact CB-CD1 3.75Å; H709-F769 HydrophobicContact CB-CD2 4.4Å; H709-F769 HydrophobicContact CB-CE1 3.63Å; H709-F769 HydrophobicContact CB-CE2 4.29Å; H709-F769 HydrophobicContact CB-CG 4.14Å; H709-F769 HydrophobicContact CB-CZ 3.91Å; H709-F769 AromaticContact CD2-CD1 3.93Å; H709-F769 AromaticContact CD2-CD2 3.33Å; H709-F769 WeakPolarHBondContact CD2-CD2 3.42Å; H709-F769 AromaticContact CD2-CE2 3.81Å; H709-F769 AromaticContact CD2-CG 3.39Å; H709-F769 WeakPolarHBondContact CD2-CG 3.16Å; H709-F769 AromaticContact CG-CD1 3.64Å; H709-F769 AromaticContact CG-CD2 3.91Å; H709-F769 AromaticContact CG-CG 3.58Å; H709-F769 AromaticContact ND1-CG 4Å; H709-F769 AromaticContact NE2-CD2 3.86Å; H709-F769 AromaticContact NE2-CG 3.73Å; L712-F769 HydrophobicContact CD1-CD1 3.53Å; L712-F769 HydrophobicContact CD1-CE1 3.63Å; L712-F769 HydrophobicContact CG-CD1 4.16Å; E765-F769 PolarHBondContact O-N 3.42Å; G766-F769 PolarHBondContact O-N 3.26Å; I767-F769 VanDerWaalsContact C-N 3.28Å; I767-F769 PolarHBondContact O-N 2.73Å; F769-H771 VanDerWaalsContact C-N 3.33Å; F769-H771 PolarHBondContact O-N 2.94Å; F769-S772 WeakPolarHBondContact O-CB 3.41Å; F769-S772 PolarHBondContact O-N 3.18Å; F769-S772 VanDerWaalsContact O-N 3.09Å; F769-S772 PolarHBondContact O-OG 3.1Å; F769-Q773 HydrophobicContact CE1-CG 4.16Å; F769-Q773 HydrophobicContact CE2-CG 4.28Å; F769-Q773 HydrophobicContact CZ-CG 3.99Å; F769-Q773 WeakPolarHBondContact O-CG 3.31Å; F769-Q773 PolarHBondContact O-N 3.21Å
770	L	94.1	Very high	94.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.9	-46.1	176.9	-74.8	171.6	0	0	0	112.4	L706 L712 G766 I767 S772 Q773 G774 L775 H777 L798	L706-L770 HydrophobicContact CD1-CD2 3.75Å; L706-L770 HydrophobicContact CD2-CD2 4.38Å; L712-L770 HydrophobicContact CD1-CD2 3.67Å; L712-L770 HydrophobicContact CD1-CG 4.03Å; L712-L770 HydrophobicContact CD2-CD1 3.94Å; L712-L770 HydrophobicContact CD2-CD2 4.32Å; L712-L770 HydrophobicContact CD2-CG 3.96Å; G766-L770 PolarHBondContact O-N 2.84Å; G766-L770 VanDerWaalsContact O-N 3.08Å; I767-L770 PolarHBondContact O-N 3.22Å; L770-S772 VanDerWaalsContact C-N 3.3Å; L770-S772 PolarHBondContact O-N 3.03Å; L770-Q773 CarbonylContact O-C 3.55Å; L770-Q773 WeakPolarHBondContact O-CA 3.34Å; L770-Q773 WeakPolarHBondContact O-CB 3.29Å; L770-Q773 PolarHBondContact O-N 2.55Å; L770-G774 PolarHBondContact O-N 2.8Å; L770-L775 CarbonylContact C-O 3.54Å; L770-L775 HydrophobicContact CD2-CD1 4.44Å; L770-L775 PolarHBondContact O-N 2.82Å; L770-H777 HydrophobicContact CD1-CB 4.21Å; L770-L798 HydrophobicContact CD1-CD2 4.05Å; L770-L798 HydrophobicContact CD2-CD2 4.34Å
771	H	93.1	Very high	94.5	Very high	32 Å²	32	23 Å²	23	15%	0.148	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-36	178.1	-70.8	-171.1	0	0	0	112.2	I767 R768 F769 Q773 G774 L775 N829 D832	I767-H771 WeakPolarHBondContact CG2-NE2 3.48Å; I767-H771 PolarHBondContact O-CD2 3.41Å; I767-H771 PolarHBondContact O-N 2.9Å; R768-H771 PolarHBondContact O-N 3.04Å; F769-H771 VanDerWaalsContact C-N 3.33Å; F769-H771 PolarHBondContact O-N 2.94Å; H771-Q773 PolarHBondContact O-N 3.49Å; H771-G774 WeakPolarHBondContact O-CA 3.18Å; H771-G774 PolarHBondContact O-N 2.8Å; H771-L775 PolarHBondContact CD2-O 2.93Å; H771-L775 VanDerWaalsContact CD2-O 3.31Å; H771-L775 PolarHBondContact N-O 3.37Å; H771-N829 PolarHBondContact CE1-O 3.5Å; H771-N829 PolarHBondContact ND1-ND2 2.95Å; H771-D832 IonicContact CD2-OD2 2.92Å; H771-D832 IonicContact CE1-OD2 2.87Å; H771-D832 IonicContact NE2-OD2 3.04Å; H771-D832 PolarHBondContact NE2-OD2 3.4Å
772	S	91.9	Very high	94.4	Very high	80 Å²	80	23.3 Å²	23.3	56%	0.559	12%	0.12	S	C	*	.	H	α-helix	trans	-64.4	-25.8	174.5	81.7	0	0	0	0	113.1	R768 F769 L770 G774	R768-S772 WeakPolarHBondContact O-CB 3.25Å; R768-S772 PolarHBondContact O-N 3.37Å; F769-S772 WeakPolarHBondContact O-CB 3.41Å; F769-S772 PolarHBondContact O-N 3.18Å; F769-S772 VanDerWaalsContact O-N 3.09Å; F769-S772 PolarHBondContact O-OG 3.1Å; L770-S772 VanDerWaalsContact C-N 3.3Å; L770-S772 PolarHBondContact O-N 3.03Å; S772-G774 VanDerWaalsContact C-N 3.27Å
773	Q	89.4	Confident	94.1	Very high	85 Å²	85	29.2 Å²	29.2	40%	0.397	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	6.1	173.9	-54.7	-56.4	-62.6	0	0	111.9	L706 F769 L770 H771 L775	L706-Q773 HydrophobicContact CD2-CB 3.74Å; L706-Q773 HydrophobicContact CD2-CG 3.65Å; F769-Q773 HydrophobicContact CE1-CG 4.16Å; F769-Q773 HydrophobicContact CE2-CG 4.28Å; F769-Q773 HydrophobicContact CZ-CG 3.99Å; F769-Q773 WeakPolarHBondContact O-CG 3.31Å; F769-Q773 PolarHBondContact O-N 3.21Å; L770-Q773 CarbonylContact O-C 3.55Å; L770-Q773 WeakPolarHBondContact O-CA 3.34Å; L770-Q773 WeakPolarHBondContact O-CB 3.29Å; L770-Q773 PolarHBondContact O-N 2.55Å; H771-Q773 PolarHBondContact O-N 3.49Å; Q773-L775 VanDerWaalsContact C-N 3.3Å; Q773-L775 PolarHBondContact O-N 3.26Å
774	G	86.7	Confident	93.9	Very high	30 Å²	30	29.7 Å²	29.7	31%	0.309	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	12.6	180	0	0	0	0	0	114.8	L770 H771 S772 P803 E804	L770-G774 PolarHBondContact O-N 2.8Å; H771-G774 WeakPolarHBondContact O-CA 3.18Å; H771-G774 PolarHBondContact O-N 2.8Å; S772-G774 VanDerWaalsContact C-N 3.27Å; G774-P803 VanDerWaalsContact O-CA 3.31Å; G774-P803 WeakPolarHBondContact O-CA 3.16Å; G774-E804 PolarHBondContact O-N 3.45Å
775	L	89.8	Confident	93.9	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.1	-179.5	-62	-177.5	0	0	0	111.8	Y702 L706 L770 H771 Q773 P803	Y702-L775 HydrophobicContact CD1-CD2 4.29Å; Y702-L775 HydrophobicContact CG-CD2 4.23Å; L706-L775 HydrophobicContact CD1-CD1 3.99Å; L706-L775 HydrophobicContact CD2-CD1 3.79Å; L706-L775 HydrophobicContact CG-CD1 4.03Å; L770-L775 CarbonylContact C-O 3.54Å; L770-L775 HydrophobicContact CD2-CD1 4.44Å; L770-L775 PolarHBondContact O-N 2.82Å; H771-L775 PolarHBondContact CD2-O 2.93Å; H771-L775 VanDerWaalsContact CD2-O 3.31Å; H771-L775 PolarHBondContact N-O 3.37Å; Q773-L775 VanDerWaalsContact C-N 3.3Å; Q773-L775 PolarHBondContact O-N 3.26Å; L775-P803 HydrophobicContact CD2-CB 4.35Å; L775-P803 HydrophobicContact CD2-CG 3.71Å
776	V	91.6	Very high	93.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.3	173	-172.4	0	0	0	0	109.3	R778 C801 K802 M807 N829 V831 D832	V776-R778 HydrophobicContact CB-CG 4.22Å; V776-R778 HydrophobicContact CG1-CG 3.7Å; V776-C801 VanDerWaalsContact O-CA 3.27Å; V776-C801 WeakPolarHBondContact O-CA 3.2Å; V776-K802 PolarHBondContact N-O 3.18Å; V776-K802 PolarHBondContact O-N 3.03Å; V776-M807 HydrophobicContact CB-CE 4.21Å; V776-M807 HydrophobicContact CB-SD 3.99Å; V776-M807 HydrophobicContact CG2-CE 3.63Å; V776-M807 HydrophobicContact CG2-SD 4.05Å; V776-N829 HydrophobicContact CG2-CB 3.79Å; V776-V831 HydrophobicContact CG1-CG2 3.62Å; V776-D832 VanDerWaalsContact CG1-OD2 3.31Å; V776-D832 WeakPolarHBondContact CG1-OD2 3.41Å
777	H	92.4	Very high	93.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.			trans	-75	-45.5	-172.8	-173.3	-51.8	0	0	0	113.5	L770 D779 I780 I795 T796 D797 F800 D832	L770-H777 HydrophobicContact CD1-CB 4.21Å; H777-D779 PolarHBondContact ND1-N 3.44Å; H777-D779 PolarHBondContact O-N 2.78Å; H777-D779 VanDerWaalsContact O-N 3.16Å; H777-I780 HydrophobicContact CB-CD1 3.83Å; H777-I780 HydrophobicContact CB-CG1 4.11Å; H777-I780 VanDerWaalsContact CD2-CD1 3.49Å; H777-I780 WeakPolarHBondContact CD2-CD1 3.29Å; H777-I780 VanDerWaalsContact CG-CD1 3.49Å; H777-I795 WeakPolarHBondContact CD2-CG2 3.37Å; H777-I795 VanDerWaalsContact NE2-CG2 3.26Å; H777-I795 WeakPolarHBondContact NE2-CG2 3.5Å; H777-T796 PolarHBondContact NE2-O 3.44Å; H777-T796 VanDerWaalsContact NE2-O 3.09Å; H777-D797 PolarHBondContact CE1-O 3.33Å; H777-F800 CarbonylContact O-C 3.22Å; H777-F800 VanDerWaalsContact O-CB 3.23Å; H777-F800 WeakPolarHBondContact O-CB 3.5Å; H777-D832 PolarHBondContact N-OD1 3.27Å; H777-D832 PolarHBondContact N-OD2 2.88Å
778	R	91.3	Very high	93.8	Very high	21 Å²	21	30.4 Å²	30.4	8%	0.079	15%	0.154	C	C	.	.	S	Bend	trans	65.7	7.4	176.2	-49.8	-176.5	-66.5	163.2	2.4	117.1	V776 F800 S810 V812 G813 Y827 V831 D832	V776-R778 HydrophobicContact CB-CG 4.22Å; V776-R778 HydrophobicContact CG1-CG 3.7Å; R778-F800 HydrophobicContact CB-CB 4.29Å; R778-F800 PolarHBondContact NE-O 3.21Å; R778-F800 PolarHBondContact NH2-O 3.48Å; R778-S810 PolarHBondContact NH1-OG 3.48Å; R778-V812 HydrophobicContact CB-CG2 4.21Å; R778-G813 WeakPolarHBondContact O-CA 3.44Å; R778-Y827 PolarHBondContact NH1-OH 2.94Å; R778-V831 HydrophobicContact CG-CG2 4.35Å; R778-D832 PolarHBondContact N-OD1 3Å
779	D	92.8	Very high	93.7	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	17%	0.171	C	C	.	.			trans	-150.9	41.3	176.8	-164.1	37.9	0	0	0	112.3	H777 K781 N784 F800 G813 T814	H777-D779 PolarHBondContact ND1-N 3.44Å; H777-D779 PolarHBondContact O-N 2.78Å; H777-D779 VanDerWaalsContact O-N 3.16Å; D779-K781 PolarHBondContact O-N 3.15Å; D779-K781 IonicContact OD1-NZ 3.1Å; D779-K781 PolarHBondContact OD1-NZ 3.19Å; D779-K781 WeakPolarHBondContact OD2-CE 3.46Å; D779-K781 IonicContact OD2-NZ 3.89Å; D779-K781 PolarHBondContact OD2-NZ 2.93Å; D779-N784 PolarHBondContact O-ND2 3.1Å; D779-N784 PolarHBondContact OD2-ND2 3.07Å; D779-F800 HydrophobicContact CB-CB 4.37Å; D779-F800 HydrophobicContact CB-CD2 3.56Å; D779-F800 HydrophobicContact CB-CE2 4.31Å; D779-F800 HydrophobicContact CB-CG 4.34Å; D779-G813 WeakPolarHBondContact OD1-CA 3.43Å; D779-T814 PolarHBondContact OD1-N 2.65Å; D779-T814 PolarHBondContact OD1-OG1 2.9Å
780	I	96.5	Very high	93.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.196	C	C	.	.			trans	-65.9	120.4	173	-61	-62.5	0	0	0	109.3	I767 H777 I795 H817 A835 L839	I767-I780 HydrophobicContact CD1-CD1 4.06Å; I767-I780 HydrophobicContact CD1-CG1 4Å; I767-I780 HydrophobicContact CD1-CG2 4.25Å; I767-I780 HydrophobicContact CG1-CD1 3.9Å; I767-I780 HydrophobicContact CG1-CG1 4.29Å; H777-I780 HydrophobicContact CB-CD1 3.83Å; H777-I780 HydrophobicContact CB-CG1 4.11Å; H777-I780 VanDerWaalsContact CD2-CD1 3.49Å; H777-I780 WeakPolarHBondContact CD2-CD1 3.29Å; H777-I780 VanDerWaalsContact CG-CD1 3.49Å; I780-I795 HydrophobicContact CD1-CD1 4.24Å; I780-I795 HydrophobicContact CD1-CG2 4.07Å; I780-H817 PolarHBondContact O-CD2 3.07Å; I780-A835 HydrophobicContact CB-CB 3.87Å; I780-L839 HydrophobicContact CG2-CD2 3.7Å
781	K	94.6	Very high	93.8	Very high	29 Å²	29	40.6 Å²	40.6	13%	0.126	21%	0.205	C	C	.	.	S	Bend	trans	-164.3	166.9	-178.8	69.9	-163.8	-175.7	-157.5	0	111.8	D779 K783 N784 V785 T814	D779-K781 PolarHBondContact O-N 3.15Å; D779-K781 IonicContact OD1-NZ 3.1Å; D779-K781 PolarHBondContact OD1-NZ 3.19Å; D779-K781 WeakPolarHBondContact OD2-CE 3.46Å; D779-K781 IonicContact OD2-NZ 3.89Å; D779-K781 PolarHBondContact OD2-NZ 2.93Å; K781-K783 VanDerWaalsContact C-N 3.25Å; K781-K783 HydrophobicContact CG-CB 4.47Å; K781-K783 PolarHBondContact O-N 2.86Å; K781-K783 VanDerWaalsContact O-N 3.1Å; K781-N784 WeakPolarHBondContact CE-ND2 3.36Å; K781-N784 WeakPolarHBondContact CE-OD1 3.4Å; K781-N784 HydrophobicContact CG-CB 4.08Å; K781-N784 PolarHBondContact O-N 3.36Å; K781-V785 PolarHBondContact O-N 2.95Å; K781-T814 HydrophobicContact CD-CG2 4.46Å; K781-T814 WeakPolarHBondContact CD-OG1 3.37Å; K781-T814 PolarHBondContact NZ-OG1 3.35Å
782	L	95.4	Very high	94.1	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.058	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-50.3	-38.1	179.5	-66	172.2	0	0	0	114.8	L743 Y744 L747 L839 Y842 V848	L743-L782 WeakPolarHBondContact CB-O 3.26Å; L743-L782 HydrophobicContact CD2-CD2 3.76Å; L743-L782 HydrophobicContact CG-CD2 3.77Å; L743-L782 PolarHBondContact N-O 2.85Å; Y744-L782 HydrophobicContact CD2-CD1 4.21Å; Y744-L782 PolarHBondContact N-O 3.26Å; L747-L782 HydrophobicContact CD1-CD1 4.5Å; L747-L782 HydrophobicContact CD1-CD2 3.6Å; L782-L839 HydrophobicContact CD2-CD1 3.62Å; L782-L839 HydrophobicContact CG-CD1 3.97Å; L782-Y842 HydrophobicContact CD1-CD1 3.96Å; L782-Y842 HydrophobicContact CD1-CD2 4.28Å; L782-Y842 HydrophobicContact CD1-CE1 4.45Å; L782-Y842 HydrophobicContact CD1-CG 3.86Å; L782-Y842 HydrophobicContact CG-CG 4.36Å; L782-V848 HydrophobicContact CD1-CG1 4.27Å
783	K	93.1	Very high	94.4	Very high	126 Å²	126	39 Å²	39	55%	0.548	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-79.5	-17	-178.5	-68.2	-169.8	174.7	-171.9	0	114.3	K781	K781-K783 VanDerWaalsContact C-N 3.25Å; K781-K783 HydrophobicContact CG-CB 4.47Å; K781-K783 PolarHBondContact O-N 2.86Å; K781-K783 VanDerWaalsContact O-N 3.1Å
784	N	95.1	Very high	94.8	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.048	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-101.4	8.3	178.7	-66.7	-1.5	0	0	0	111.9	D779 K781 T796	D779-N784 PolarHBondContact O-ND2 3.1Å; D779-N784 PolarHBondContact OD2-ND2 3.07Å; K781-N784 WeakPolarHBondContact CE-ND2 3.36Å; K781-N784 WeakPolarHBondContact CE-OD1 3.4Å; K781-N784 HydrophobicContact CG-CB 4.08Å; K781-N784 PolarHBondContact O-N 3.36Å; N784-T796 HydrophobicContact CB-CG2 4.46Å; N784-T796 PolarHBondContact O-N 2.66Å
785	V	97.8	Very high	95.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.2	169.4	-179.6	0	0	0	0	107.3	D742 L743 I759 V763 K781 A793 L839	D742-V785 CarbonylContact C-O 3.47Å; D742-V785 WeakPolarHBondContact CA-O 3.34Å; L743-V785 HydrophobicContact CB-CB 3.9Å; L743-V785 HydrophobicContact CB-CG1 4.04Å; L743-V785 WeakPolarHBondContact CB-O 3.44Å; L743-V785 HydrophobicContact CD2-CB 4.05Å; L743-V785 HydrophobicContact CD2-CG1 3.98Å; L743-V785 HydrophobicContact CD2-CG2 4.47Å; L743-V785 PolarHBondContact N-O 3.49Å; I759-V785 HydrophobicContact CG2-CG1 4.35Å; V763-V785 HydrophobicContact CG2-CB 4.48Å; V763-V785 HydrophobicContact CG2-CG1 3.77Å; V763-V785 HydrophobicContact CG2-CG2 3.8Å; K781-V785 PolarHBondContact O-N 2.95Å; V785-A793 HydrophobicContact CG1-CB 3.71Å; V785-L839 HydrophobicContact CG2-CD2 4.08Å
786	L	97.3	Very high	95.5	Very high	36 Å²	36	35.7 Å²	35.7	19%	0.188	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	148.4	178	-59.8	-169.1	0	0	0	110.2	V713 L739 R741 D742 A793 K794 T796	V713-L786 HydrophobicContact CG2-CD1 4.03Å; L739-L786 HydrophobicContact CB-CB 3.83Å; L739-L786 HydrophobicContact CB-CD1 4.25Å; L739-L786 HydrophobicContact CD2-CB 3.4Å; L739-L786 VanDerWaalsContact CD2-CB 3.4Å; L739-L786 HydrophobicContact CG-CB 4.18Å; R741-L786 CarbonylContact O-C 3.26Å; D742-L786 HydrophobicContact CB-CD2 3.81Å; L786-A793 CarbonylContact O-C 3.59Å; L786-A793 WeakPolarHBondContact O-CA 3.29Å; L786-K794 PolarHBondContact N-O 3.38Å; L786-K794 PolarHBondContact O-N 3.07Å; L786-T796 HydrophobicContact CD1-CG2 3.87Å; L786-T796 HydrophobicContact CD2-CG2 4.1Å; L786-T796 HydrophobicContact CG-CG2 3.62Å
787	L	98.1	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.2	-177	-57.3	-177.8	0	0	0	110.3	L739 H740 R741 L743 L751 I759 R792 A793	L739-L787 WeakPolarHBondContact CB-O 3.44Å; H740-L787 WeakPolarHBondContact CA-O 3.37Å; H740-L787 WeakPolarHBondContact CB-O 3.41Å; H740-L787 PolarHBondContact N-O 3.49Å; R741-L787 HydrophobicContact CG-CB 4.2Å; R741-L787 HydrophobicContact CG-CD1 4.43Å; R741-L787 PolarHBondContact N-O 2.92Å; R741-L787 PolarHBondContact O-N 3.29Å; L743-L787 HydrophobicContact CD1-CD1 4.21Å; L751-L787 HydrophobicContact CD1-CD1 4Å; I759-L787 HydrophobicContact CD1-CD1 4.02Å; I759-L787 HydrophobicContact CD1-CD2 3.71Å; I759-L787 HydrophobicContact CG1-CD2 3.84Å; I759-L787 HydrophobicContact CG2-CD2 4.37Å; L787-R792 WeakPolarHBondContact CA-O 3.39Å; L787-A793 HydrophobicContact CD2-CB 3.83Å
788	D	96.1	Very high	94.7	Very high	37 Å²	37	37.3 Å²	37.3	20%	0.198	17%	0.171	C	C	.	.			trans	-74.5	-173.8	169.3	72.4	12	0	0	0	112	Q790 N791 R792	D788-Q790 PolarHBondContact O-N 2.78Å; D788-Q790 VanDerWaalsContact OD1-C 3.26Å; D788-Q790 VanDerWaalsContact OD1-CA 3.28Å; D788-Q790 WeakPolarHBondContact OD1-CA 3.5Å; D788-Q790 WeakPolarHBondContact OD1-CB 3.27Å; D788-Q790 PolarHBondContact OD1-N 3.35Å; D788-N791 PolarHBondContact O-N 2.79Å; D788-N791 VanDerWaalsContact O-N 3.15Å; D788-N791 PolarHBondContact OD1-N 2.82Å; D788-R792 PolarHBondContact N-O 3.13Å; D788-R792 PolarHBondContact OD1-N 3.44Å; D788-R792 WeakPolarHBondContact OD2-CB 3.35Å
789	K	95.3	Very high	93.9	Very high	170 Å²	170	37 Å²	37	74%	0.739	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.9	-179.7	-66.2	-178	-178.2	177.3	0	113	H740	H740-K789 HydrophobicContact CB-CG 4.38Å
790	Q	96.2	Very high	93	Very high	139 Å²	139	37.8 Å²	37.8	65%	0.65	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	5.9	177.8	-68.7	71.3	28.1	0	0	111.7	D788 R792	D788-Q790 PolarHBondContact O-N 2.78Å; D788-Q790 VanDerWaalsContact OD1-C 3.26Å; D788-Q790 VanDerWaalsContact OD1-CA 3.28Å; D788-Q790 WeakPolarHBondContact OD1-CA 3.5Å; D788-Q790 WeakPolarHBondContact OD1-CB 3.27Å; D788-Q790 PolarHBondContact OD1-N 3.35Å; Q790-R792 HydrophobicContact CB-CG 4.35Å; Q790-R792 PolarHBondContact O-N 3.41Å
791	N	96.6	Very high	92.4	Very high	35 Å²	35	38 Å²	38	19%	0.187	18%	0.179	C	C	.	.			trans	58.4	28.4	-173.1	-57	-63.3	0	0	0	114	R741 L751 T755 I759 D788	R741-N791 PolarHBondContact NH2-OD1 3.24Å; L751-N791 HydrophobicContact CD2-CB 4.35Å; T755-N791 HydrophobicContact CG2-CB 3.51Å; I759-N791 WeakPolarHBondContact CG1-O 3.19Å; D788-N791 PolarHBondContact O-N 2.79Å; D788-N791 VanDerWaalsContact O-N 3.15Å; D788-N791 PolarHBondContact OD1-N 2.82Å
792	R	97.8	Very high	91.8	Very high	78 Å²	78	38.4 Å²	38.4	29%	0.294	18%	0.181	S	C	.	.			trans	-81.1	142.8	165.3	-58	-57.4	-61.5	-103.1	-4.1	109.7	D762 L787 D788 Q790	D762-R792 IonicContact OD1-CZ 2.75Å; D762-R792 IonicContact OD1-NE 2.64Å; D762-R792 PolarHBondContact OD1-NE 2.92Å; D762-R792 IonicContact OD1-NH2 3.63Å; D762-R792 PolarHBondContact OD1-NH2 3.3Å; D762-R792 WeakPolarHBondContact OD2-CA 3.37Å; D762-R792 IonicContact OD2-CZ 2.66Å; D762-R792 IonicContact OD2-NE 2.97Å; D762-R792 PolarHBondContact OD2-NE 3.26Å; D762-R792 IonicContact OD2-NH2 3.22Å; L787-R792 WeakPolarHBondContact CA-O 3.39Å; D788-R792 PolarHBondContact N-O 3.13Å; D788-R792 PolarHBondContact OD1-N 3.44Å; D788-R792 WeakPolarHBondContact OD2-CB 3.35Å; Q790-R792 HydrophobicContact CB-CG 4.35Å; Q790-R792 PolarHBondContact O-N 3.41Å
793	A	98.4	Very high	91.2	Very high	1 Å²	1	38 Å²	38	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.8	-171	0	0	0	0	0	112.9	R711 I759 D762 V763 V785 L786 L787	R711-A793 WeakPolarHBondContact CD-O 3.25Å; I759-A793 HydrophobicContact CB-CB 4.35Å; I759-A793 HydrophobicContact CG1-CB 4.29Å; I759-A793 HydrophobicContact CG2-CB 3.89Å; D762-A793 HydrophobicContact CB-CB 3.7Å; D762-A793 PolarHBondContact OD2-N 2.87Å; V763-A793 HydrophobicContact CG2-CB 4.38Å; V785-A793 HydrophobicContact CG1-CB 3.71Å; L786-A793 CarbonylContact O-C 3.59Å; L786-A793 WeakPolarHBondContact O-CA 3.29Å; L787-A793 HydrophobicContact CD2-CB 3.83Å
794	K	98.3	Very high	90.4	Very high	31 Å²	31	35.6 Å²	35.6	14%	0.135	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.1	167.4	-57	-167.6	178.4	-175.5	0	110.2	E710 R711 V713 E737 L739 L786	E710-K794 WeakPolarHBondContact O-CE 3.26Å; E710-K794 WeakPolarHBondContact O-CG 3.45Å; R711-K794 CarbonylContact O-C 3.34Å; R711-K794 WeakPolarHBondContact O-CA 3.08Å; V713-K794 HydrophobicContact CG2-CB 3.83Å; E737-K794 IonicContact OE1-NZ 3.03Å; E737-K794 PolarHBondContact OE1-NZ 3.27Å; E737-K794 IonicContact OE2-NZ 4Å; E737-K794 PolarHBondContact OE2-NZ 2.92Å; L739-K794 HydrophobicContact CD1-CD 4.44Å; L739-K794 HydrophobicContact CD2-CB 3.72Å; L739-K794 HydrophobicContact CD2-CD 3.96Å; L739-K794 HydrophobicContact CD2-CG 3.85Å; L786-K794 PolarHBondContact N-O 3.38Å; L786-K794 PolarHBondContact O-N 3.07Å
795	I	97.4	Very high	89.2	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.5	175.9	-55.7	173.6	0	0	0	109.3	R711 L712 V713 V763 I767 H777 I780	R711-I795 PolarHBondContact O-N 3.49Å; L712-I795 HydrophobicContact CD2-CB 3.84Å; L712-I795 HydrophobicContact CD2-CD1 4.39Å; L712-I795 HydrophobicContact CD2-CG1 4.5Å; V713-I795 PolarHBondContact N-O 2.67Å; V763-I795 HydrophobicContact CG1-CD1 4.36Å; I767-I795 HydrophobicContact CG1-CD1 3.73Å; H777-I795 WeakPolarHBondContact CD2-CG2 3.37Å; H777-I795 VanDerWaalsContact NE2-CG2 3.26Å; H777-I795 WeakPolarHBondContact NE2-CG2 3.5Å; I780-I795 HydrophobicContact CD1-CD1 4.24Å; I780-I795 HydrophobicContact CD1-CG2 4.07Å
796	T	92.7	Very high	88.2	Confident	19 Å²	19	35.4 Å²	35.4	12%	0.117	17%	0.169	C	C	.	.			trans	-129.3	-178.8	177.9	-161.2	0	0	0	0	111.3	H777 N784 L786	H777-T796 PolarHBondContact NE2-O 3.44Å; H777-T796 VanDerWaalsContact NE2-O 3.09Å; N784-T796 HydrophobicContact CB-CG2 4.46Å; N784-T796 PolarHBondContact O-N 2.66Å; L786-T796 HydrophobicContact CD1-CG2 3.87Å; L786-T796 HydrophobicContact CD2-CG2 4.1Å; L786-T796 HydrophobicContact CG-CG2 3.62Å
797	D	86.1	Confident	87.1	Confident	27 Å²	27	34.3 Å²	34.3	14%	0.144	16%	0.163	C	C	.	.			trans	57.1	58.2	179.2	-149.5	-4.9	0	0	0	113.6	K683 H777 G799	K683-D797 IonicContact NZ-OD1 3.55Å; K683-D797 PolarHBondContact NZ-OD1 3Å; K683-D797 IonicContact NZ-OD2 3.74Å; K683-D797 PolarHBondContact NZ-OD2 3.45Å; H777-D797 PolarHBondContact CE1-O 3.33Å; D797-G799 PolarHBondContact O-N 2.93Å
798	L	81.9	Confident	85.5	Confident	7 Å²	7	37.3 Å²	37.3	4%	0.037	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-72.6	13.8	173.7	-52.5	-179	0	0	0	112.6	M703 L706 L770 F800 C801	M703-L798 HydrophobicContact CE-CB 4.02Å; M703-L798 HydrophobicContact CE-CD1 4.23Å; M703-L798 HydrophobicContact CE-CG 4.29Å; M703-L798 HydrophobicContact CG-CB 3.6Å; M703-L798 HydrophobicContact CG-CD1 3.95Å; M703-L798 HydrophobicContact CG-CG 4.36Å; M703-L798 HydrophobicContact SD-CB 3.81Å; L706-L798 HydrophobicContact CD1-CD1 3.77Å; L770-L798 HydrophobicContact CD1-CD2 4.05Å; L770-L798 HydrophobicContact CD2-CD2 4.34Å; L798-F800 PolarHBondContact O-N 3.4Å; L798-F800 VanDerWaalsContact O-N 3.09Å; L798-C801 HydrophobicContact CB-CB 4.08Å; L798-C801 VanDerWaalsContact CB-SG 3.58Å; L798-C801 WeakPolarHBondContact CD2-SG 3.4Å; L798-C801 WeakPolarHBondContact O-CB 3.23Å; L798-C801 PolarHBondContact O-N 3.45Å
799	G	74.1	Confident	84	Confident	14 Å²	14	38 Å²	38	14%	0.144	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-66.8	-4.5	175.3	0	0	0	0	0	113.7	E699 D797	E699-G799 WeakPolarHBondContact OE2-CA 3.5Å; D797-G799 PolarHBondContact O-N 2.93Å
800	F	75.2	Confident	82.9	Confident	21 Å²	21	31.6 Å²	31.6	9%	0.092	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-109.6	1.6	166	-68.7	-57.4	0	0	0	113.5	Y665 H777 R778 D779 L798 K802 V812	Y665-F800 HydrophobicContact CE1-CE1 4.47Å; Y665-F800 HydrophobicContact CE1-CE2 4.18Å; Y665-F800 AromaticContact CE1-CZ 3.61Å; Y665-F800 HydrophobicContact CE1-CZ 3.61Å; Y665-F800 AromaticContact CE2-CE2 3.71Å; Y665-F800 HydrophobicContact CE2-CE2 3.71Å; Y665-F800 HydrophobicContact CE2-CZ 4.01Å; Y665-F800 AromaticContact CZ-CE2 3.45Å; Y665-F800 VanDerWaalsContact CZ-CE2 3.45Å; Y665-F800 AromaticContact CZ-CZ 3.26Å; Y665-F800 VanDerWaalsContact OH-CE2 3.31Å; Y665-F800 WeakPolarHBondContact OH-CE2 3.34Å; Y665-F800 WeakPolarHBondContact OH-CZ 3.47Å; H777-F800 CarbonylContact O-C 3.22Å; H777-F800 VanDerWaalsContact O-CB 3.23Å; H777-F800 WeakPolarHBondContact O-CB 3.5Å; R778-F800 HydrophobicContact CB-CB 4.29Å; R778-F800 PolarHBondContact NE-O 3.21Å; R778-F800 PolarHBondContact NH2-O 3.48Å; D779-F800 HydrophobicContact CB-CB 4.37Å; D779-F800 HydrophobicContact CB-CD2 3.56Å; D779-F800 HydrophobicContact CB-CE2 4.31Å; D779-F800 HydrophobicContact CB-CG 4.34Å; L798-F800 PolarHBondContact O-N 3.4Å; L798-F800 VanDerWaalsContact O-N 3.09Å; F800-K802 PolarHBondContact O-N 3.38Å; F800-V812 HydrophobicContact CB-CG2 4.48Å; F800-V812 HydrophobicContact CD1-CB 3.58Å; F800-V812 HydrophobicContact CD1-CG1 4Å; F800-V812 HydrophobicContact CD1-CG2 3.75Å; F800-V812 HydrophobicContact CE1-CB 3.59Å; F800-V812 HydrophobicContact CE1-CG1 3.77Å; F800-V812 HydrophobicContact CE1-CG2 4.28Å; F800-V812 HydrophobicContact CG-CB 4.33Å; F800-V812 HydrophobicContact CG-CG2 4.27Å; F800-V812 HydrophobicContact CZ-CB 4.3Å
801	C	83.7	Confident	82.1	Confident	4 Å²	4	29 Å²	29	3%	0.027	17%	0.166	C	C	.	.			trans	-65.6	131	177.7	-74.5	0	0	0	0	110.9	V776 L798	V776-C801 VanDerWaalsContact O-CA 3.27Å; V776-C801 WeakPolarHBondContact O-CA 3.2Å; L798-C801 HydrophobicContact CB-CB 4.08Å; L798-C801 VanDerWaalsContact CB-SG 3.58Å; L798-C801 WeakPolarHBondContact CD2-SG 3.4Å; L798-C801 WeakPolarHBondContact O-CB 3.23Å; L798-C801 PolarHBondContact O-N 3.45Å
802	K	81.9	Confident	81.3	Confident	39 Å²	39	28.8 Å²	28.8	17%	0.17	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.2	175.9	-158.5	168.1	-159.6	-168.6	0	110.5	V776 F800 M806 M807	V776-K802 PolarHBondContact N-O 3.18Å; V776-K802 PolarHBondContact O-N 3.03Å; F800-K802 PolarHBondContact O-N 3.38Å; K802-M806 HydrophobicContact CD-CB 4.23Å; K802-M806 WeakPolarHBondContact CD-O 3.27Å; K802-M806 WeakPolarHBondContact CE-O 3.24Å; K802-M806 HydrophobicContact CG-CB 3.89Å; K802-M806 PolarHBondContact NZ-O 2.9Å; K802-M807 HydrophobicContact CB-CG 4.18Å; K802-M807 HydrophobicContact CD-CG 4.47Å; K802-M807 HydrophobicContact CG-CG 4.36Å
803	P	81.6	Confident	80.4	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.019	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	141.2	168.9	-23.4	32	0	0	0	110.9	F380 Y702 G774 L775 A805 M806 M807	F380-P803 HydrophobicContact CE1-CB 4.3Å; F380-P803 HydrophobicContact CE2-CB 4.18Å; F380-P803 HydrophobicContact CZ-CB 3.59Å; F380-P803 HydrophobicContact CZ-CG 4.5Å; Y702-P803 HydrophobicContact CD1-CG 4Å; Y702-P803 HydrophobicContact CD2-CG 4.43Å; Y702-P803 HydrophobicContact CE1-CG 3.34Å; Y702-P803 HydrophobicContact CE2-CG 3.84Å; Y702-P803 WeakPolarHBondContact OH-CG 3.29Å; G774-P803 VanDerWaalsContact O-CA 3.31Å; G774-P803 WeakPolarHBondContact O-CA 3.16Å; L775-P803 HydrophobicContact CD2-CB 4.35Å; L775-P803 HydrophobicContact CD2-CG 3.71Å; P803-A805 PolarHBondContact O-N 2.72Å; P803-M806 HydrophobicContact CB-CB 4.21Å; P803-M806 HydrophobicContact CB-CG 3.98Å; P803-M806 HydrophobicContact CG-CB 4.41Å; P803-M806 HydrophobicContact CG-CG 4.07Å; P803-M806 CarbonylContact O-C 3.58Å; P803-M806 WeakPolarHBondContact O-CA 3.25Å; P803-M806 WeakPolarHBondContact O-CB 3.38Å; P803-M806 PolarHBondContact O-N 2.89Å; P803-M807 VanDerWaalsContact O-CG 3.31Å; P803-M807 WeakPolarHBondContact O-CG 3.31Å; P803-M807 PolarHBondContact O-N 3.31Å
804	E	76.8	Confident	79.8	Confident	75 Å²	75	27.5 Å²	27.5	35%	0.35	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-54.6	-39.3	177.9	-173.4	179.4	168.8	0	0	112.1	G774 M806 M807	G774-E804 PolarHBondContact O-N 3.45Å; E804-M806 PolarHBondContact O-N 3.29Å; E804-M806 VanDerWaalsContact O-N 3.11Å; E804-M807 HydrophobicContact CB-CE 3.92Å; E804-M807 HydrophobicContact CG-CE 3.71Å; E804-M807 WeakPolarHBondContact O-CB 3.08Å; E804-M807 PolarHBondContact O-N 2.91Å; E804-M807 VanDerWaalsContact O-N 3.08Å
805	A	70.6	Confident	79.2	Confident	5 Å²	5	27.1 Å²	27.1	4%	0.041	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-68.8	-7.7	176.5	0	0	0	0	0	115.1	F380 Q383 W624 P803	F380-A805 HydrophobicContact CB-CB 4.28Å; F380-A805 HydrophobicContact CD1-CB 3.15Å; F380-A805 HydrophobicContact CD2-CB 4.44Å; F380-A805 HydrophobicContact CE1-CB 3.5Å; F380-A805 VanDerWaalsContact CE1-CB 3.5Å; F380-A805 HydrophobicContact CG-CB 3.69Å; F380-A805 HydrophobicContact CZ-CB 4.31Å; Q383-A805 HydrophobicContact CB-CB 4.07Å; Q383-A805 VanDerWaalsContact CD-CA 3.45Å; Q383-A805 HydrophobicContact CG-CB 4.43Å; Q383-A805 PolarHBondContact OE1-O 3Å; W624-A805 WeakPolarHBondContact CZ2-O 3.39Å; W624-A805 PolarHBondContact NE1-O 3.43Å; P803-A805 PolarHBondContact O-N 2.72Å
806	M	75.3	Confident	78.8	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-110.9	1.3	177.5	-60.1	-84	87.3	0	0	111.5	A379 R628 K802 P803 E804	A379-M806 HydrophobicContact CB-CE 3.18Å; A379-M806 HydrophobicContact CB-SD 4.31Å; R628-M806 HydrophobicContact CB-CE 3.69Å; R628-M806 HydrophobicContact CB-SD 4.17Å; R628-M806 WeakPolarHBondContact CD-O 3.28Å; R628-M806 HydrophobicContact CG-CB 4.48Å; R628-M806 HydrophobicContact CG-CE 3.73Å; R628-M806 HydrophobicContact CG-SD 3.88Å; K802-M806 HydrophobicContact CD-CB 4.23Å; K802-M806 WeakPolarHBondContact CD-O 3.27Å; K802-M806 WeakPolarHBondContact CE-O 3.24Å; K802-M806 HydrophobicContact CG-CB 3.89Å; K802-M806 PolarHBondContact NZ-O 2.9Å; P803-M806 HydrophobicContact CB-CB 4.21Å; P803-M806 HydrophobicContact CB-CG 3.98Å; P803-M806 HydrophobicContact CG-CB 4.41Å; P803-M806 HydrophobicContact CG-CG 4.07Å; P803-M806 CarbonylContact O-C 3.58Å; P803-M806 WeakPolarHBondContact O-CA 3.25Å; P803-M806 WeakPolarHBondContact O-CB 3.38Å; P803-M806 PolarHBondContact O-N 2.89Å; E804-M806 PolarHBondContact O-N 3.29Å; E804-M806 VanDerWaalsContact O-N 3.11Å
807	M	74.6	Confident	78.7	Confident	12 Å²	12	28.4 Å²	28.4	6%	0.059	18%	0.176	C	C	.	.			trans	-83.9	139.6	177.9	-59.4	-161.8	-65.4	0	0	112.1	R628 V776 K802 P803 E804 Y827	R628-M807 VanDerWaalsContact NH1-C 3.32Å; R628-M807 PolarHBondContact NH1-O 3.3Å; V776-M807 HydrophobicContact CB-CE 4.21Å; V776-M807 HydrophobicContact CB-SD 3.99Å; V776-M807 HydrophobicContact CG2-CE 3.63Å; V776-M807 HydrophobicContact CG2-SD 4.05Å; K802-M807 HydrophobicContact CB-CG 4.18Å; K802-M807 HydrophobicContact CD-CG 4.47Å; K802-M807 HydrophobicContact CG-CG 4.36Å; P803-M807 VanDerWaalsContact O-CG 3.31Å; P803-M807 WeakPolarHBondContact O-CG 3.31Å; P803-M807 PolarHBondContact O-N 3.31Å; E804-M807 HydrophobicContact CB-CE 3.92Å; E804-M807 HydrophobicContact CG-CE 3.71Å; E804-M807 WeakPolarHBondContact O-CB 3.08Å; E804-M807 PolarHBondContact O-N 2.91Å; E804-M807 VanDerWaalsContact O-N 3.08Å; M807-Y827 HydrophobicContact CB-CE2 4.46Å; M807-Y827 HydrophobicContact CE-CD2 4.05Å; M807-Y827 HydrophobicContact CE-CE2 4.01Å; M807-Y827 HydrophobicContact CG-CE2 4.49Å; M807-Y827 HydrophobicContact SD-CD2 4.09Å; M807-Y827 HydrophobicContact SD-CE2 3.44Å; M807-Y827 WeakPolarHBondContact SD-CE2 3.21Å
808	S	65.5	Low	78.9	Confident	64 Å²	64	28 Å²	28	45%	0.448	17%	0.173	S	C	.	.			trans	-174.5	133.9	163	175.5	0	0	0	0	109.9	S810	S808-S810 PolarHBondContact O-N 3.41Å
809	G	64.5	Low	79.3	Confident	50 Å²	50	27.7 Å²	27.7	52%	0.515	17%	0.172	S	C	.	.	S	Bend	trans	63.5	-2	161.5	0	0	0	0	0	117.5	G825	G809-G825 PolarHBondContact N-O 3.05Å; G809-G825 VanDerWaalsContact N-O 3.16Å
810	S	71.9	Confident	80.1	Confident	37 Å²	37	27.8 Å²	27.8	26%	0.259	17%	0.17	S	C	.	.			trans	-88.7	118.5	178.2	51.3	0	0	0	0	110.1	R778 S808 Y827	R778-S810 PolarHBondContact NH1-OG 3.48Å; S808-S810 PolarHBondContact O-N 3.41Å; S810-Y827 PolarHBondContact O-OH 3.42Å; S810-Y827 PolarHBondContact OG-OH 3.26Å
811	I	78.4	Confident	80.7	Confident	84 Å²	84	27.9 Å²	27.9	43%	0.431	17%	0.171	S	C	.	.			trans	-94.4	102.3	172.8	-59.7	166.3	0	0	0	107.1	M818 L822 F823	I811-M818 HydrophobicContact CG2-CE 4.5Å; I811-M818 HydrophobicContact CG2-SD 4.17Å; I811-L822 HydrophobicContact CB-CD2 4.07Å; I811-L822 HydrophobicContact CG1-CD2 4.32Å; I811-L822 HydrophobicContact CG2-CD2 3.76Å; I811-F823 HydrophobicContact CD1-CD1 3.77Å; I811-F823 HydrophobicContact CD1-CE1 4.35Å; I811-F823 HydrophobicContact CG1-CD1 4.46Å; I811-F823 HydrophobicContact CG2-CD1 4.29Å; I811-F823 HydrophobicContact CG2-CE1 3.92Å; I811-F823 HydrophobicContact CG2-CZ 4.42Å
812	V	80	Confident	80.8	Confident	31 Å²	31	27.8 Å²	27.8	19%	0.188	17%	0.17	C	C	.	.			trans	-133.4	161.1	-176.5	-64.7	0	0	0	0	110.9	R778 F800 M818	R778-V812 HydrophobicContact CB-CG2 4.21Å; F800-V812 HydrophobicContact CB-CG2 4.48Å; F800-V812 HydrophobicContact CD1-CB 3.58Å; F800-V812 HydrophobicContact CD1-CG1 4Å; F800-V812 HydrophobicContact CD1-CG2 3.75Å; F800-V812 HydrophobicContact CE1-CB 3.59Å; F800-V812 HydrophobicContact CE1-CG1 3.77Å; F800-V812 HydrophobicContact CE1-CG2 4.28Å; F800-V812 HydrophobicContact CG-CB 4.33Å; F800-V812 HydrophobicContact CG-CG2 4.27Å; F800-V812 HydrophobicContact CZ-CB 4.3Å; V812-M818 VanDerWaalsContact C-CE 3.45Å; V812-M818 VanDerWaalsContact O-CE 3.31Å; V812-M818 WeakPolarHBondContact O-CE 3.27Å
813	G	80.3	Confident	80.6	Confident	15 Å²	15	27.8 Å²	27.8	16%	0.155	17%	0.17	C	C	.	.	S	Bend	trans	107.5	-168	-179	0	0	0	0	0	113.5	R778 D779 M818	R778-G813 WeakPolarHBondContact O-CA 3.44Å; D779-G813 WeakPolarHBondContact OD1-CA 3.43Å; G813-M818 WeakPolarHBondContact O-CE 3.11Å
814	T	84.8	Confident	80.4	Confident	37 Å²	37	31.9 Å²	31.9	23%	0.227	20%	0.195	C	C	.	.			trans	-96.6	120.7	-178.6	-55.3	0	0	0	0	110.5	D779 K781 I816 H817 M818	D779-T814 PolarHBondContact OD1-N 2.65Å; D779-T814 PolarHBondContact OD1-OG1 2.9Å; K781-T814 HydrophobicContact CD-CG2 4.46Å; K781-T814 WeakPolarHBondContact CD-OG1 3.37Å; K781-T814 PolarHBondContact NZ-OG1 3.35Å; T814-I816 VanDerWaalsContact C-N 3.27Å; T814-I816 HydrophobicContact CG2-CG1 3.95Å; T814-I816 PolarHBondContact O-N 3.36Å; T814-H817 PolarHBondContact O-N 3.12Å; T814-M818 PolarHBondContact O-N 3.45Å
815	P	85.7	Confident	80.2	Confident	23 Å²	23	29.1 Å²	29.1	15%	0.149	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-46.9	-40.9	-167.8	-34	36.6	0	0	0	116.5	H817 M818 K860 L863 W864	P815-H817 VanDerWaalsContact C-N 3.27Å; P815-H817 PolarHBondContact O-N 2.96Å; P815-M818 PolarHBondContact O-N 2.8Å; P815-K860 HydrophobicContact CG-CD 3.96Å; P815-K860 HydrophobicContact CG-CG 4.35Å; P815-L863 HydrophobicContact CB-CD2 4.11Å; P815-W864 HydrophobicContact CB-CZ2 3.85Å; P815-W864 HydrophobicContact CG-CZ2 3.82Å
816	I	88.5	Confident	80.4	Confident	36 Å²	36	37.3 Å²	37.3	19%	0.185	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-69.6	-18.9	-178.7	54.3	159.2	0	0	0	114.3	T814 L850 F854 L863	T814-I816 VanDerWaalsContact C-N 3.27Å; T814-I816 HydrophobicContact CG2-CG1 3.95Å; T814-I816 PolarHBondContact O-N 3.36Å; I816-L850 HydrophobicContact CD1-CD1 4.11Å; I816-L850 HydrophobicContact CG2-CD1 4.38Å; I816-F854 HydrophobicContact CB-CD2 4.41Å; I816-F854 HydrophobicContact CG2-CD2 4.37Å; I816-L863 HydrophobicContact CB-CD2 4.46Å; I816-L863 HydrophobicContact CG2-CD2 3.58Å
817	H	90.7	Very high	80.9	Confident	12 Å²	12	38.5 Å²	38.5	6%	0.056	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-104.7	-2.6	178.1	-60.4	88.1	0	0	0	112.3	I780 T814 P815 Y834 A835 I838 Y842	I780-H817 PolarHBondContact O-CD2 3.07Å; T814-H817 PolarHBondContact O-N 3.12Å; P815-H817 VanDerWaalsContact C-N 3.27Å; P815-H817 PolarHBondContact O-N 2.96Å; H817-Y834 WeakPolarHBondContact O-CD1 3.4Å; H817-A835 HydrophobicContact CB-CB 4.31Å; H817-I838 VanDerWaalsContact CD2-CG2 3.49Å; H817-I838 WeakPolarHBondContact CD2-CG2 3.19Å; H817-Y842 AromaticContact NE2-CE2 3.91Å
818	M	90.3	Very high	81.5	Confident	17 Å²	17	40.2 Å²	40.2	8%	0.084	24%	0.235	C	C	.	.			trans	-77.2	133	-176.1	-67.7	-178.7	-177	0	0	111.8	I811 V812 G813 T814 P815 L822 F823 Y834	I811-M818 HydrophobicContact CG2-CE 4.5Å; I811-M818 HydrophobicContact CG2-SD 4.17Å; V812-M818 VanDerWaalsContact C-CE 3.45Å; V812-M818 VanDerWaalsContact O-CE 3.31Å; V812-M818 WeakPolarHBondContact O-CE 3.27Å; G813-M818 WeakPolarHBondContact O-CE 3.11Å; T814-M818 PolarHBondContact O-N 3.45Å; P815-M818 PolarHBondContact O-N 2.8Å; M818-L822 HydrophobicContact SD-CD2 4.33Å; M818-F823 HydrophobicContact SD-CZ 4.23Å; M818-Y834 VanDerWaalsContact O-CE1 3.24Å; M818-Y834 WeakPolarHBondContact O-CE1 3.42Å
819	A	91.4	Very high	82.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.008	23%	0.228	C	C	.	.			trans	-68.6	146.9	171.9	0	0	0	0	0	111.7	E821 L822 V831 Y834	A819-E821 VanDerWaalsContact C-N 3.31Å; A819-E821 WeakPolarHBondContact CB-OE1 3.4Å; A819-E821 WeakPolarHBondContact CB-OE2 3.18Å; A819-E821 PolarHBondContact O-N 2.94Å; A819-L822 VanDerWaalsContact O-CB 3.25Å; A819-L822 WeakPolarHBondContact O-CB 3.39Å; A819-L822 PolarHBondContact O-N 3.32Å; A819-V831 HydrophobicContact CB-CB 4.16Å; A819-V831 HydrophobicContact CB-CG1 4.05Å; A819-Y834 HydrophobicContact CB-CD1 3.87Å; A819-Y834 HydrophobicContact CB-CD2 4.16Å; A819-Y834 HydrophobicContact CB-CG 3.67Å
820	P	89.9	Confident	84.2	Confident	17 Å²	17	37.9 Å²	37.9	11%	0.11	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.3	-29.4	-175	24.4	-34.1	0	0	0	114.3	L822 F823 V867 R868	P820-L822 VanDerWaalsContact C-N 3.29Å; P820-L822 PolarHBondContact O-N 3.5Å; P820-F823 WeakPolarHBondContact O-CD2 3.4Å; P820-V867 HydrophobicContact CB-CG1 4.35Å; P820-R868 HydrophobicContact CB-CG 4.41Å
821	E	89.4	Confident	85.2	Confident	22 Å²	22	36.3 Å²	36.3	10%	0.103	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-74.4	-17.4	179.7	69.2	-79.3	-175.3	0	0	113.4	A819 F823 T824 P895 R898	A819-E821 VanDerWaalsContact C-N 3.31Å; A819-E821 WeakPolarHBondContact CB-OE1 3.4Å; A819-E821 WeakPolarHBondContact CB-OE2 3.18Å; A819-E821 PolarHBondContact O-N 2.94Å; E821-F823 PolarHBondContact O-N 3.19Å; E821-F823 VanDerWaalsContact O-N 3.1Å; E821-T824 WeakPolarHBondContact O-CB 3.5Å; E821-T824 PolarHBondContact O-N 3.33Å; E821-T824 PolarHBondContact O-OG1 2.79Å; E821-P895 HydrophobicContact CG-CG 4.4Å; E821-R898 VanDerWaalsContact CD-NH2 3.34Å; E821-R898 IonicContact OE1-CZ 2.79Å; E821-R898 IonicContact OE1-NH1 3.98Å; E821-R898 PolarHBondContact OE1-NH1 3.07Å; E821-R898 IonicContact OE1-NH2 3.96Å; E821-R898 PolarHBondContact OE1-NH2 3.12Å; E821-R898 IonicContact OE2-CZ 3.98Å; E821-R898 IonicContact OE2-NH1 2.94Å; E821-R898 IonicContact OE2-NH2 3.76Å; E821-R898 PolarHBondContact OE2-NH2 2.93Å
822	L	85.4	Confident	86.1	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.016	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-58.9	-28.6	179.9	-160.9	135.1	0	0	0	111.7	I811 M818 A819 P820 G825 Y827 V831	I811-L822 HydrophobicContact CB-CD2 4.07Å; I811-L822 HydrophobicContact CG1-CD2 4.32Å; I811-L822 HydrophobicContact CG2-CD2 3.76Å; M818-L822 HydrophobicContact SD-CD2 4.33Å; A819-L822 VanDerWaalsContact O-CB 3.25Å; A819-L822 WeakPolarHBondContact O-CB 3.39Å; A819-L822 PolarHBondContact O-N 3.32Å; P820-L822 VanDerWaalsContact C-N 3.29Å; P820-L822 PolarHBondContact O-N 3.5Å; L822-G825 PolarHBondContact O-N 3.18Å; L822-Y827 HydrophobicContact CG-CD1 4.15Å; L822-Y827 HydrophobicContact CG-CE1 4.05Å; L822-V831 HydrophobicContact CD1-CB 4.41Å; L822-V831 HydrophobicContact CD1-CG1 4.28Å
823	F	77.3	Confident	87	Confident	39 Å²	39	31.2 Å²	31.2	17%	0.171	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-74.6	-19	175.1	-63.3	-84.4	0	0	0	114.9	I811 M818 P820 E821 G825 W864	I811-F823 HydrophobicContact CD1-CD1 3.77Å; I811-F823 HydrophobicContact CD1-CE1 4.35Å; I811-F823 HydrophobicContact CG1-CD1 4.46Å; I811-F823 HydrophobicContact CG2-CD1 4.29Å; I811-F823 HydrophobicContact CG2-CE1 3.92Å; I811-F823 HydrophobicContact CG2-CZ 4.42Å; M818-F823 HydrophobicContact SD-CZ 4.23Å; P820-F823 WeakPolarHBondContact O-CD2 3.4Å; E821-F823 PolarHBondContact O-N 3.19Å; E821-F823 VanDerWaalsContact O-N 3.1Å; F823-G825 PolarHBondContact O-N 3.48Å; F823-W864 AromaticContact CE1-CD2 3.87Å; F823-W864 HydrophobicContact CE1-CD2 3.87Å; F823-W864 HydrophobicContact CE1-CE3 4.26Å; F823-W864 AromaticContact CE1-CG 3.98Å; F823-W864 HydrophobicContact CE1-CG 3.98Å; F823-W864 HydrophobicContact CE2-CB 4.43Å; F823-W864 AromaticContact CE2-CD1 3.76Å; F823-W864 HydrophobicContact CE2-CG 4.08Å; F823-W864 HydrophobicContact CZ-CB 4.13Å; F823-W864 AromaticContact CZ-CD1 3.25Å; F823-W864 AromaticContact CZ-CD2 3.7Å; F823-W864 HydrophobicContact CZ-CD2 3.7Å; F823-W864 AromaticContact CZ-CE2 3.68Å; F823-W864 AromaticContact CZ-CG 3.44Å; F823-W864 HydrophobicContact CZ-CG 3.44Å; F823-W864 VanDerWaalsContact CZ-CG 3.44Å; F823-W864 HydrophobicContact CZ-CZ2 4.48Å; F823-W864 AromaticContact CZ-NE1 3.39Å
824	T	77.3	Confident	87.8	Confident	89 Å²	89	30.6 Å²	30.6	55%	0.546	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-74.7	-12.7	174.9	72.9	0	0	0	0	111.3	E821 K826	E821-T824 WeakPolarHBondContact O-CB 3.5Å; E821-T824 PolarHBondContact O-N 3.33Å; E821-T824 PolarHBondContact O-OG1 2.79Å; T824-K826 PolarHBondContact O-N 2.85Å; T824-K826 PolarHBondContact OG1-N 2.82Å; T824-K826 PolarHBondContact OG1-O 3.49Å; T824-K826 VanDerWaalsContact OG1-O 3.07Å
825	G	72.5	Confident	88.4	Confident	16 Å²	16	29 Å²	29	17%	0.165	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	-1.5	-172.9	0	0	0	0	0	114	G809 L822 F823	G809-G825 PolarHBondContact N-O 3.05Å; G809-G825 VanDerWaalsContact N-O 3.16Å; L822-G825 PolarHBondContact O-N 3.18Å; F823-G825 PolarHBondContact O-N 3.48Å
826	K	75.6	Confident	89	Confident	177 Å²	177	27.9 Å²	27.9	77%	0.77	15%	0.145	S	C	*	.			trans	-116.8	106.1	176.8	-63	-176.5	-179.1	-177.4	0	108.8	T824	T824-K826 PolarHBondContact O-N 2.85Å; T824-K826 PolarHBondContact OG1-N 2.82Å; T824-K826 PolarHBondContact OG1-O 3.49Å; T824-K826 VanDerWaalsContact OG1-O 3.07Å
827	Y	84.1	Confident	89.4	Confident	27 Å²	27	26.2 Å²	26.2	11%	0.106	14%	0.136	C	C	.	.			trans	-154.2	160.8	-178.9	59.1	-95.2	0	0	0	110	R778 M807 S810 L822 V831	R778-Y827 PolarHBondContact NH1-OH 2.94Å; M807-Y827 HydrophobicContact CB-CE2 4.46Å; M807-Y827 HydrophobicContact CE-CD2 4.05Å; M807-Y827 HydrophobicContact CE-CE2 4.01Å; M807-Y827 HydrophobicContact CG-CE2 4.49Å; M807-Y827 HydrophobicContact SD-CD2 4.09Å; M807-Y827 HydrophobicContact SD-CE2 3.44Å; M807-Y827 WeakPolarHBondContact SD-CE2 3.21Å; S810-Y827 PolarHBondContact O-OH 3.42Å; S810-Y827 PolarHBondContact OG-OH 3.26Å; L822-Y827 HydrophobicContact CG-CD1 4.15Å; L822-Y827 HydrophobicContact CG-CE1 4.05Å; Y827-V831 HydrophobicContact CD2-CG1 3.94Å; Y827-V831 HydrophobicContact CD2-CG2 4.39Å; Y827-V831 HydrophobicContact CG-CG1 4.11Å
828	D	87.9	Confident	89.7	Confident	47 Å²	47	25.6 Å²	25.6	25%	0.251	13%	0.134	S	C	.	.			trans	-124.8	-161.5	-179.1	60	18.2	0	0	0	110.3	S830 V831	D828-S830 PolarHBondContact O-N 2.9Å; D828-S830 WeakPolarHBondContact OD1-CB 3.41Å; D828-S830 PolarHBondContact OD1-N 2.8Å; D828-S830 PolarHBondContact OD1-OG 3.36Å; D828-V831 WeakPolarHBondContact O-CG2 3.42Å
829	N	91.8	Very high	90.1	Very high	55 Å²	55	24.8 Å²	24.8	29%	0.294	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.2	179.4	70.9	-23.7	0	0	0	114.4	H771 V776 V831 D832	H771-N829 PolarHBondContact CE1-O 3.5Å; H771-N829 PolarHBondContact ND1-ND2 2.95Å; V776-N829 HydrophobicContact CG2-CB 3.79Å; N829-V831 PolarHBondContact O-N 2.85Å; N829-V831 VanDerWaalsContact O-N 3.15Å; N829-D832 PolarHBondContact O-N 2.87Å; N829-D832 VanDerWaalsContact O-N 3.17Å
830	S	94.3	Very high	90.4	Very high	10 Å²	10	24.8 Å²	24.8	7%	0.07	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-15.5	178.9	72	0	0	0	0	113.6	D828 D832 V833 Y834 P895 R898	D828-S830 PolarHBondContact O-N 2.9Å; D828-S830 WeakPolarHBondContact OD1-CB 3.41Å; D828-S830 PolarHBondContact OD1-N 2.8Å; D828-S830 PolarHBondContact OD1-OG 3.36Å; S830-D832 VanDerWaalsContact C-N 3.27Å; S830-D832 PolarHBondContact O-N 3.43Å; S830-V833 WeakPolarHBondContact O-CB 3.28Å; S830-V833 PolarHBondContact O-N 3.47Å; S830-Y834 PolarHBondContact O-N 3.11Å; S830-Y834 VanDerWaalsContact O-N 3.12Å; S830-P895 VanDerWaalsContact OG-CB 3.22Å; S830-P895 WeakPolarHBondContact OG-CB 3.33Å; S830-R898 PolarHBondContact O-NH1 3.21Å; S830-R898 PolarHBondContact OG-NH1 3.48Å
831	V	94.7	Very high	90.8	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-32.2	174	-57.8	0	0	0	0	112.2	V776 R778 A819 L822 Y827 D828 N829 V833 Y834 A835	V776-V831 HydrophobicContact CG1-CG2 3.62Å; R778-V831 HydrophobicContact CG-CG2 4.35Å; A819-V831 HydrophobicContact CB-CB 4.16Å; A819-V831 HydrophobicContact CB-CG1 4.05Å; L822-V831 HydrophobicContact CD1-CB 4.41Å; L822-V831 HydrophobicContact CD1-CG1 4.28Å; Y827-V831 HydrophobicContact CD2-CG1 3.94Å; Y827-V831 HydrophobicContact CD2-CG2 4.39Å; Y827-V831 HydrophobicContact CG-CG1 4.11Å; D828-V831 WeakPolarHBondContact O-CG2 3.42Å; N829-V831 PolarHBondContact O-N 2.85Å; N829-V831 VanDerWaalsContact O-N 3.15Å; V831-V833 VanDerWaalsContact C-N 3.34Å; V831-Y834 PolarHBondContact O-N 2.93Å; V831-A835 WeakPolarHBondContact O-CB 3.34Å; V831-A835 PolarHBondContact O-N 3.38Å
832	D	96.6	Very high	91.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-73.7	-29.4	175.9	-70.6	-24	0	0	0	111.2	I767 H771 V776 H777 R778 N829 S830 A835 F836	I767-D832 HydrophobicContact CG2-CB 3.8Å; H771-D832 IonicContact CD2-OD2 2.92Å; H771-D832 IonicContact CE1-OD2 2.87Å; H771-D832 IonicContact NE2-OD2 3.04Å; H771-D832 PolarHBondContact NE2-OD2 3.4Å; V776-D832 VanDerWaalsContact CG1-OD2 3.31Å; V776-D832 WeakPolarHBondContact CG1-OD2 3.41Å; H777-D832 PolarHBondContact N-OD1 3.27Å; H777-D832 PolarHBondContact N-OD2 2.88Å; R778-D832 PolarHBondContact N-OD1 3Å; N829-D832 PolarHBondContact O-N 2.87Å; N829-D832 VanDerWaalsContact O-N 3.17Å; S830-D832 VanDerWaalsContact C-N 3.27Å; S830-D832 PolarHBondContact O-N 3.43Å; D832-A835 PolarHBondContact O-N 2.88Å; D832-F836 WeakPolarHBondContact O-CB 3.33Å; D832-F836 PolarHBondContact O-N 3.27Å
833	V	97.8	Very high	91.7	Very high	8 Å²	8	23.5 Å²	23.5	5%	0.048	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-42.8	173.8	-173.6	0	0	0	0	110.3	S830 V831 F836 G837 C890 R898 L901	S830-V833 WeakPolarHBondContact O-CB 3.28Å; S830-V833 PolarHBondContact O-N 3.47Å; V831-V833 VanDerWaalsContact C-N 3.34Å; V833-F836 WeakPolarHBondContact O-CB 3.44Å; V833-F836 PolarHBondContact O-N 3.32Å; V833-G837 PolarHBondContact O-N 2.99Å; V833-C890 HydrophobicContact CG1-CB 4.2Å; V833-R898 HydrophobicContact CG1-CB 4.19Å; V833-L901 HydrophobicContact CG2-CD1 4.36Å; V833-L901 HydrophobicContact CG2-CD2 4.13Å; V833-L901 HydrophobicContact CG2-CG 3.93Å
834	Y	97.4	Very high	92.7	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-49.7	172.6	-179.4	-80.6	0	0	0	111.5	H817 M818 A819 S830 V831 F836 G837 I838 V867 C890 W891	H817-Y834 WeakPolarHBondContact O-CD1 3.4Å; M818-Y834 VanDerWaalsContact O-CE1 3.24Å; M818-Y834 WeakPolarHBondContact O-CE1 3.42Å; A819-Y834 HydrophobicContact CB-CD1 3.87Å; A819-Y834 HydrophobicContact CB-CD2 4.16Å; A819-Y834 HydrophobicContact CB-CG 3.67Å; S830-Y834 PolarHBondContact O-N 3.11Å; S830-Y834 VanDerWaalsContact O-N 3.12Å; V831-Y834 PolarHBondContact O-N 2.93Å; Y834-F836 VanDerWaalsContact C-N 3.26Å; Y834-F836 PolarHBondContact O-N 3.39Å; Y834-G837 PolarHBondContact O-N 3.49Å; Y834-I838 HydrophobicContact CD1-CG1 4.19Å; Y834-I838 HydrophobicContact CE1-CD1 4.22Å; Y834-I838 HydrophobicContact CE1-CG1 3.75Å; Y834-I838 PolarHBondContact O-N 3.28Å; Y834-I838 VanDerWaalsContact O-N 3.13Å; Y834-V867 WeakPolarHBondContact OH-CG1 3.26Å; Y834-C890 WeakPolarHBondContact CA-O 3.4Å; Y834-C890 PolarHBondContact N-O 3.48Å; Y834-W891 HydrophobicContact CD2-CB 3.86Å; Y834-W891 HydrophobicContact CE2-CB 3.83Å; Y834-W891 WeakPolarHBondContact CE2-O 3.44Å; Y834-W891 HydrophobicContact CG-CB 4.49Å
835	A	97.2	Very high	93.5	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-36.1	179.4	0	0	0	0	0	111.8	I780 H817 V831 D832 I838 L839	I780-A835 HydrophobicContact CB-CB 3.87Å; H817-A835 HydrophobicContact CB-CB 4.31Å; V831-A835 WeakPolarHBondContact O-CB 3.34Å; V831-A835 PolarHBondContact O-N 3.38Å; D832-A835 PolarHBondContact O-N 2.88Å; A835-I838 PolarHBondContact O-N 3.03Å; A835-L839 WeakPolarHBondContact O-CB 3.32Å; A835-L839 PolarHBondContact O-N 2.88Å
836	F	98.3	Very high	94.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-43.2	170.8	173.3	-99.4	0	0	0	112.2	A760 V763 V764 I767 D832 V833 Y834 I838 L839 F840 V904 L908	A760-F836 HydrophobicContact CB-CE2 4.32Å; A760-F836 HydrophobicContact CB-CZ 4.39Å; V763-F836 HydrophobicContact CG1-CD2 4.05Å; V763-F836 HydrophobicContact CG1-CE2 4.47Å; V764-F836 HydrophobicContact CG2-CD1 4.35Å; V764-F836 HydrophobicContact CG2-CD2 3.94Å; V764-F836 HydrophobicContact CG2-CE1 3.84Å; V764-F836 HydrophobicContact CG2-CE2 3.38Å; V764-F836 HydrophobicContact CG2-CG 4.39Å; V764-F836 HydrophobicContact CG2-CZ 3.33Å; I767-F836 HydrophobicContact CD1-CB 4.17Å; D832-F836 WeakPolarHBondContact O-CB 3.33Å; D832-F836 PolarHBondContact O-N 3.27Å; V833-F836 WeakPolarHBondContact O-CB 3.44Å; V833-F836 PolarHBondContact O-N 3.32Å; Y834-F836 VanDerWaalsContact C-N 3.26Å; Y834-F836 PolarHBondContact O-N 3.39Å; F836-I838 VanDerWaalsContact C-N 3.31Å; F836-I838 PolarHBondContact O-N 3.48Å; F836-L839 CarbonylContact O-C 3.58Å; F836-L839 WeakPolarHBondContact O-CB 3.25Å; F836-L839 PolarHBondContact O-N 2.95Å; F836-L839 VanDerWaalsContact O-N 3.15Å; F836-F840 HydrophobicContact CE1-CB 4.24Å; F836-F840 HydrophobicContact CE1-CG 4.42Å; F836-F840 HydrophobicContact CE2-CB 4.48Å; F836-F840 HydrophobicContact CZ-CB 4.12Å; F836-F840 HydrophobicContact CZ-CD2 4.32Å; F836-F840 HydrophobicContact CZ-CG 4.18Å; F836-F840 VanDerWaalsContact O-CB 3.29Å; F836-F840 WeakPolarHBondContact O-CB 3.48Å; F836-F840 PolarHBondContact O-N 3.49Å; F836-V904 HydrophobicContact CD1-CG1 4.25Å; F836-V904 HydrophobicContact CE1-CG1 3.65Å; F836-V904 HydrophobicContact CZ-CG1 4.34Å; F836-L908 HydrophobicContact CZ-CD2 4.21Å
837	G	97.8	Very high	95.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.2	-43.8	175.8	0	0	0	0	0	112.6	V833 Y834 F840 W841	V833-G837 PolarHBondContact O-N 2.99Å; Y834-G837 PolarHBondContact O-N 3.49Å; G837-F840 PolarHBondContact O-N 2.95Å; G837-W841 PolarHBondContact O-N 2.66Å
838	I	97.4	Very high	95.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.8	-43.3	174.5	-58.5	-72.3	0	0	0	111.3	H817 Y834 A835 F836 F840 W841 Y842 F854 P873 W891	H817-I838 VanDerWaalsContact CD2-CG2 3.49Å; H817-I838 WeakPolarHBondContact CD2-CG2 3.19Å; Y834-I838 HydrophobicContact CD1-CG1 4.19Å; Y834-I838 HydrophobicContact CE1-CD1 4.22Å; Y834-I838 HydrophobicContact CE1-CG1 3.75Å; Y834-I838 PolarHBondContact O-N 3.28Å; Y834-I838 VanDerWaalsContact O-N 3.13Å; A835-I838 PolarHBondContact O-N 3.03Å; F836-I838 VanDerWaalsContact C-N 3.31Å; F836-I838 PolarHBondContact O-N 3.48Å; I838-F840 VanDerWaalsContact C-N 3.32Å; I838-F840 PolarHBondContact O-N 3.39Å; I838-W841 WeakPolarHBondContact O-CB 3.37Å; I838-W841 PolarHBondContact O-N 3.34Å; I838-Y842 HydrophobicContact CG2-CE2 4.12Å; I838-Y842 VanDerWaalsContact O-CD2 3.29Å; I838-Y842 WeakPolarHBondContact O-CD2 3.25Å; I838-F854 HydrophobicContact CD1-CE2 4.36Å; I838-F854 HydrophobicContact CD1-CZ 4.32Å; I838-P873 HydrophobicContact CD1-CG 3.94Å; I838-W891 HydrophobicContact CD1-CD2 4.48Å; I838-W891 HydrophobicContact CD1-CE3 3.53Å; I838-W891 HydrophobicContact CD1-CZ3 4.08Å; I838-W891 HydrophobicContact CG1-CE3 4.28Å
839	L	97.9	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-41.6	176.2	177.4	64.6	0	0	0	111.5	L743 V763 I780 L782 V785 A835 F836 W841 Y842 I843	L743-L839 HydrophobicContact CD2-CD1 4.15Å; V763-L839 HydrophobicContact CG1-CD2 3.92Å; V763-L839 HydrophobicContact CG2-CD2 4.38Å; I780-L839 HydrophobicContact CG2-CD2 3.7Å; L782-L839 HydrophobicContact CD2-CD1 3.62Å; L782-L839 HydrophobicContact CG-CD1 3.97Å; V785-L839 HydrophobicContact CG2-CD2 4.08Å; A835-L839 WeakPolarHBondContact O-CB 3.32Å; A835-L839 PolarHBondContact O-N 2.88Å; F836-L839 CarbonylContact O-C 3.58Å; F836-L839 WeakPolarHBondContact O-CB 3.25Å; F836-L839 PolarHBondContact O-N 2.95Å; F836-L839 VanDerWaalsContact O-N 3.15Å; L839-W841 VanDerWaalsContact C-N 3.27Å; L839-W841 PolarHBondContact O-N 2.68Å; L839-Y842 WeakPolarHBondContact O-CB 3.29Å; L839-Y842 PolarHBondContact O-N 3.11Å; L839-Y842 VanDerWaalsContact O-N 3.08Å; L839-I843 HydrophobicContact CD2-CD1 4.45Å; L839-I843 HydrophobicContact CG-CD1 4.02Å; L839-I843 HydrophobicContact CG-CG1 4.46Å; L839-I843 WeakPolarHBondContact O-CG1 3.25Å; L839-I843 PolarHBondContact O-N 3.44Å
840	F	98.1	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-33	-178.2	-170.8	-133.2	0	0	0	111.6	L757 A760 F836 G837 I838 Y842 I843 C844 C883 L886 M887 L908	L757-F840 HydrophobicContact CD2-CE2 3.91Å; L757-F840 HydrophobicContact CD2-CZ 4.18Å; A760-F840 HydrophobicContact CB-CD2 3.8Å; A760-F840 HydrophobicContact CB-CE2 3.9Å; F836-F840 HydrophobicContact CE1-CB 4.24Å; F836-F840 HydrophobicContact CE1-CG 4.42Å; F836-F840 HydrophobicContact CE2-CB 4.48Å; F836-F840 HydrophobicContact CZ-CB 4.12Å; F836-F840 HydrophobicContact CZ-CD2 4.32Å; F836-F840 HydrophobicContact CZ-CG 4.18Å; F836-F840 VanDerWaalsContact O-CB 3.29Å; F836-F840 WeakPolarHBondContact O-CB 3.48Å; F836-F840 PolarHBondContact O-N 3.49Å; G837-F840 PolarHBondContact O-N 2.95Å; I838-F840 VanDerWaalsContact C-N 3.32Å; I838-F840 PolarHBondContact O-N 3.39Å; F840-Y842 PolarHBondContact O-N 3.2Å; F840-I843 HydrophobicContact CD2-CB 4.26Å; F840-I843 HydrophobicContact CD2-CG2 4.34Å; F840-I843 PolarHBondContact O-N 3.02Å; F840-C844 VanDerWaalsContact CE2-SG 3.52Å; F840-C844 VanDerWaalsContact CZ-SG 3.51Å; F840-C844 PolarHBondContact O-N 3.06Å; F840-C883 HydrophobicContact CE1-CB 4.29Å; F840-C883 HydrophobicContact CZ-CB 4.41Å; F840-L886 HydrophobicContact CD1-CD2 4.46Å; F840-L886 HydrophobicContact CE1-CB 4.32Å; F840-L886 HydrophobicContact CE1-CD2 3.9Å; F840-L886 HydrophobicContact CE1-CG 4.32Å; F840-L886 HydrophobicContact CZ-CD2 4.45Å; F840-M887 HydrophobicContact CB-CG 4.46Å; F840-M887 HydrophobicContact CD1-CE 3.83Å; F840-M887 HydrophobicContact CD1-CG 3.57Å; F840-M887 HydrophobicContact CE1-CE 4.01Å; F840-M887 HydrophobicContact CE1-CG 4.26Å; F840-M887 HydrophobicContact CG-CE 4.34Å; F840-M887 HydrophobicContact CG-CG 4.39Å; F840-L908 HydrophobicContact CE1-CD1 4.37Å; F840-L908 HydrophobicContact CE2-CD1 3.6Å; F840-L908 HydrophobicContact CZ-CD1 3.45Å; F840-L908 VanDerWaalsContact CZ-CD1 3.45Å
841	W	97.9	Very high	95.8	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.027	10%	0.103	C	C	.	.	H	α-helix	trans	-56.2	-45.8	169.4	-174.1	96.7	0	0	0	112.6	G837 I838 L839 C844 S845 P851 P873 E874 L876 F879 M887 W891	G837-W841 PolarHBondContact O-N 2.66Å; I838-W841 WeakPolarHBondContact O-CB 3.37Å; I838-W841 PolarHBondContact O-N 3.34Å; L839-W841 VanDerWaalsContact C-N 3.27Å; L839-W841 PolarHBondContact O-N 2.68Å; W841-C844 PolarHBondContact O-N 3.42Å; W841-S845 WeakPolarHBondContact O-CB 3.42Å; W841-S845 PolarHBondContact O-N 3.49Å; W841-S845 PolarHBondContact O-OG 3.39Å; W841-P851 HydrophobicContact CD2-CG 4.33Å; W841-P851 HydrophobicContact CE3-CG 4.01Å; W841-P851 HydrophobicContact CH2-CB 4.18Å; W841-P851 HydrophobicContact CH2-CG 3.81Å; W841-P851 HydrophobicContact CZ2-CB 4.23Å; W841-P851 HydrophobicContact CZ2-CG 4.11Å; W841-P851 HydrophobicContact CZ3-CG 3.76Å; W841-P873 HydrophobicContact CD2-CB 3.99Å; W841-P873 HydrophobicContact CG-CB 3.91Å; W841-P873 HydrophobicContact CG-CG 4.45Å; W841-P873 HydrophobicContact CZ2-CB 4.37Å; W841-E874 PolarHBondContact NE1-O 3.35Å; W841-L876 HydrophobicContact CH2-CD1 4.05Å; W841-L876 HydrophobicContact CZ2-CD1 3.72Å; W841-L876 HydrophobicContact CZ2-CD2 4.31Å; W841-L876 HydrophobicContact CZ2-CG 3.92Å; W841-F879 AromaticContact CD1-CE2 3.47Å; W841-F879 VanDerWaalsContact CD1-CE2 3.47Å; W841-F879 AromaticContact CD1-CZ 3.62Å; W841-F879 HydrophobicContact CD2-CZ 4.12Å; W841-F879 AromaticContact CE2-CZ 3.75Å; W841-F879 HydrophobicContact CG-CE2 4.33Å; W841-F879 HydrophobicContact CG-CZ 4.06Å; W841-F879 HydrophobicContact CZ2-CZ 4.37Å; W841-F879 AromaticContact NE1-CE2 3.3Å; W841-F879 VanDerWaalsContact NE1-CE2 3.3Å; W841-F879 AromaticContact NE1-CZ 3.46Å; W841-M887 HydrophobicContact CB-SD 4.06Å; W841-M887 HydrophobicContact CG-SD 4.43Å; W841-W891 HydrophobicContact CB-CZ3 4.1Å; W841-W891 AromaticContact CD1-CH2 3.8Å; W841-W891 HydrophobicContact CG-CH2 4.49Å; W841-W891 HydrophobicContact CG-CZ3 4.34Å
842	Y	97.5	Very high	95.6	Very high	8 Å²	8	22.9 Å²	22.9	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-66.7	-39	175.8	-70.2	-77.5	0	0	0	112	L782 H817 I838 L839 F840 S845 G846 S847 K849 P851	L782-Y842 HydrophobicContact CD1-CD1 3.96Å; L782-Y842 HydrophobicContact CD1-CD2 4.28Å; L782-Y842 HydrophobicContact CD1-CE1 4.45Å; L782-Y842 HydrophobicContact CD1-CG 3.86Å; L782-Y842 HydrophobicContact CG-CG 4.36Å; H817-Y842 AromaticContact NE2-CE2 3.91Å; I838-Y842 HydrophobicContact CG2-CE2 4.12Å; I838-Y842 VanDerWaalsContact O-CD2 3.29Å; I838-Y842 WeakPolarHBondContact O-CD2 3.25Å; L839-Y842 WeakPolarHBondContact O-CB 3.29Å; L839-Y842 PolarHBondContact O-N 3.11Å; L839-Y842 VanDerWaalsContact O-N 3.08Å; F840-Y842 PolarHBondContact O-N 3.2Å; Y842-S845 PolarHBondContact O-N 2.71Å; Y842-S845 PolarHBondContact O-OG 3.01Å; Y842-S845 VanDerWaalsContact O-OG 3.1Å; Y842-G846 PolarHBondContact O-N 3.38Å; Y842-S847 WeakPolarHBondContact CD1-O 3.31Å; Y842-K849 WeakPolarHBondContact CE1-O 3.35Å; Y842-P851 VanDerWaalsContact OH-CD 3.24Å; Y842-P851 WeakPolarHBondContact OH-CD 3.45Å
843	I	97.3	Very high	95.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-47.1	177	-68.1	176.2	0	0	0	110.2	L743 R756 I759 A760 L839 F840 G846	L743-I843 HydrophobicContact CD2-CD1 4.23Å; L743-I843 HydrophobicContact CD2-CG1 4.15Å; R756-I843 HydrophobicContact CB-CG2 3.73Å; R756-I843 VanDerWaalsContact CD-O 3.28Å; R756-I843 WeakPolarHBondContact CD-O 3.34Å; R756-I843 PolarHBondContact NH1-O 3.14Å; R756-I843 WeakPolarHBondContact O-CG2 3.45Å; I759-I843 HydrophobicContact CG2-CD1 4.35Å; A760-I843 HydrophobicContact CB-CD1 3.85Å; A760-I843 HydrophobicContact CB-CG2 4.24Å; L839-I843 HydrophobicContact CD2-CD1 4.45Å; L839-I843 HydrophobicContact CG-CD1 4.02Å; L839-I843 HydrophobicContact CG-CG1 4.46Å; L839-I843 WeakPolarHBondContact O-CG1 3.25Å; L839-I843 PolarHBondContact O-N 3.44Å; F840-I843 HydrophobicContact CD2-CB 4.26Å; F840-I843 HydrophobicContact CD2-CG2 4.34Å; F840-I843 PolarHBondContact O-N 3.02Å; I843-G846 PolarHBondContact O-N 3.03Å
844	C	96.8	Very high	94.8	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.041	14%	0.135	C	C	.	.	H	α-helix	trans	-70.3	-36.7	178.6	-71	0	0	0	0	112.8	R756 F840 W841 G846 F879 M887	R756-C844 PolarHBondContact NH1-O 2.93Å; F840-C844 VanDerWaalsContact CE2-SG 3.52Å; F840-C844 VanDerWaalsContact CZ-SG 3.51Å; F840-C844 PolarHBondContact O-N 3.06Å; W841-C844 PolarHBondContact O-N 3.42Å; C844-G846 VanDerWaalsContact C-N 3.25Å; C844-G846 PolarHBondContact O-N 3.47Å; C844-F879 HydrophobicContact CB-CD1 3.91Å; C844-F879 HydrophobicContact CB-CE1 3.87Å; C844-M887 HydrophobicContact CB-CE 3.41Å; C844-M887 VanDerWaalsContact CB-CE 3.41Å; C844-M887 WeakPolarHBondContact SG-CE 3.41Å
845	S	95.8	Very high	94.3	Very high	20 Å²	20	31 Å²	31	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-68.9	-26.8	178.7	75.1	0	0	0	0	112.7	W841 Y842 S847	W841-S845 WeakPolarHBondContact O-CB 3.42Å; W841-S845 PolarHBondContact O-N 3.49Å; W841-S845 PolarHBondContact O-OG 3.39Å; Y842-S845 PolarHBondContact O-N 2.71Å; Y842-S845 PolarHBondContact O-OG 3.01Å; Y842-S845 VanDerWaalsContact O-OG 3.1Å; S845-S847 PolarHBondContact O-N 3.17Å; S845-S847 PolarHBondContact OG-N 3.46Å; S845-S847 PolarHBondContact OG-O 3.36Å
846	G	95	Very high	93.7	Very high	26 Å²	26	39.1 Å²	39.1	27%	0.268	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	15.7	-177.3	0	0	0	0	0	112.3	Y842 I843 C844	Y842-G846 PolarHBondContact O-N 3.38Å; I843-G846 PolarHBondContact O-N 3.03Å; C844-G846 VanDerWaalsContact C-N 3.25Å; C844-G846 PolarHBondContact O-N 3.47Å
847	S	93.1	Very high	93.2	Very high	37 Å²	37	40.1 Å²	40.1	26%	0.259	20%	0.202	S	C	.	.			trans	-127.6	155.6	-172.8	178.3	0	0	0	0	109.5	Y842 S845 K849	Y842-S847 WeakPolarHBondContact CD1-O 3.31Å; S845-S847 PolarHBondContact O-N 3.17Å; S845-S847 PolarHBondContact OG-N 3.46Å; S845-S847 PolarHBondContact OG-O 3.36Å; S847-K849 WeakPolarHBondContact OG-CB 3.43Å; S847-K849 WeakPolarHBondContact OG-CG 3.11Å; S847-K849 PolarHBondContact OG-N 3.13Å; S847-K849 VanDerWaalsContact OG-N 3.12Å
848	V	93.5	Very high	92.5	Very high	32 Å²	32	44.8 Å²	44.8	19%	0.194	24%	0.241	C	C	.	.			trans	-107.5	10	172.4	-58.8	0	0	0	0	112.3	Y744 L747 K748 L782	Y744-V848 HydrophobicContact CD2-CB 3.82Å; Y744-V848 HydrophobicContact CD2-CG1 3.68Å; Y744-V848 HydrophobicContact CD2-CG2 4.45Å; Y744-V848 HydrophobicContact CE2-CB 3.5Å; Y744-V848 VanDerWaalsContact CE2-CB 3.5Å; Y744-V848 HydrophobicContact CE2-CG1 3.86Å; Y744-V848 HydrophobicContact CE2-CG2 3.78Å; Y744-V848 HydrophobicContact CG-CG1 4.15Å; L747-V848 HydrophobicContact CB-CG1 3.86Å; L747-V848 HydrophobicContact CD1-CG1 4.29Å; K748-V848 HydrophobicContact CD-CG2 4.29Å; K748-V848 HydrophobicContact CG-CG1 4.25Å; K748-V848 HydrophobicContact CG-CG2 3.74Å; L782-V848 HydrophobicContact CD1-CG1 4.27Å
849	K	92.8	Very high	92.1	Very high	166 Å²	166	47.6 Å²	47.6	72%	0.722	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-67.7	137.4	173.8	-69	-175	179.1	-176	0	109.5	Y842 S847	Y842-K849 WeakPolarHBondContact CE1-O 3.35Å; S847-K849 WeakPolarHBondContact OG-CB 3.43Å; S847-K849 WeakPolarHBondContact OG-CG 3.11Å; S847-K849 PolarHBondContact OG-N 3.13Å; S847-K849 VanDerWaalsContact OG-N 3.12Å
850	L	88.8	Confident	91.4	Very high	70 Å²	70	54 Å²	54	37%	0.366	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-63.6	141.9	176.8	-155.7	85.6	0	0	0	109.3	I816 E852 F854 E855	I816-L850 HydrophobicContact CD1-CD1 4.11Å; I816-L850 HydrophobicContact CG2-CD1 4.38Å; L850-E852 PolarHBondContact O-N 3.48Å; L850-F854 HydrophobicContact CD2-CB 3.88Å; L850-F854 HydrophobicContact CG-CB 4.2Å; L850-E855 HydrophobicContact CD2-CB 3.99Å
851	P	91.3	Very high	90.8	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-55.1	137.9	169.7	-26.4	32.6	0	0	0	111.4	W841 Y842 A853 F854 E855 P873 E874	W841-P851 HydrophobicContact CD2-CG 4.33Å; W841-P851 HydrophobicContact CE3-CG 4.01Å; W841-P851 HydrophobicContact CH2-CB 4.18Å; W841-P851 HydrophobicContact CH2-CG 3.81Å; W841-P851 HydrophobicContact CZ2-CB 4.23Å; W841-P851 HydrophobicContact CZ2-CG 4.11Å; W841-P851 HydrophobicContact CZ3-CG 3.76Å; Y842-P851 VanDerWaalsContact OH-CD 3.24Å; Y842-P851 WeakPolarHBondContact OH-CD 3.45Å; P851-A853 PolarHBondContact O-N 2.9Å; P851-F854 HydrophobicContact CB-CD2 4.01Å; P851-F854 HydrophobicContact CB-CG 4.29Å; P851-F854 HydrophobicContact CG-CD2 3.82Å; P851-F854 HydrophobicContact CG-CE2 4.19Å; P851-F854 WeakPolarHBondContact O-CA 3.25Å; P851-F854 PolarHBondContact O-N 2.92Å; P851-E855 PolarHBondContact O-N 3.43Å; P851-P873 HydrophobicContact CB-CB 3.8Å; P851-P873 HydrophobicContact CB-CG 4.21Å; P851-P873 HydrophobicContact CG-CB 3.78Å; P851-P873 HydrophobicContact CG-CG 3.89Å; P851-E874 WeakPolarHBondContact CA-OE1 3.31Å; P851-E874 WeakPolarHBondContact CB-OE2 3.46Å
852	E	90.3	Very high	90.4	Very high	96 Å²	96	62.3 Å²	62.3	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-36.7	-178.7	-171	179.8	-166.2	0	0	111.4	L850 F854 E855 R856 E874	L850-E852 PolarHBondContact O-N 3.48Å; E852-F854 PolarHBondContact O-N 2.9Å; E852-F854 VanDerWaalsContact O-N 3.17Å; E852-E855 PolarHBondContact O-N 3.32Å; E852-R856 WeakPolarHBondContact O-CG 3.48Å; E852-R856 PolarHBondContact O-N 3.31Å; E852-R856 IonicContact OE1-CZ 2.93Å; E852-R856 IonicContact OE1-NE 3.93Å; E852-R856 PolarHBondContact OE1-NE 2.96Å; E852-R856 IonicContact OE1-NH2 3.28Å; E852-R856 PolarHBondContact OE1-NH2 3.02Å; E852-R856 IonicContact OE2-NH2 3.88Å; E852-E874 VanDerWaalsContact N-CD 3.31Å; E852-E874 PolarHBondContact N-OE1 3.06Å; E852-E874 PolarHBondContact N-OE2 3.14Å
853	A	86.9	Confident	90	Very high	33 Å²	33	62.4 Å²	62.4	27%	0.273	33%	0.331	S	S	.	.	H	α-helix	trans	-56.3	-31	174.5	0	0	0	0	0	113	P851 R872 E874	P851-A853 PolarHBondContact O-N 2.9Å; A853-R872 VanDerWaalsContact CB-O 3.29Å; A853-R872 WeakPolarHBondContact CB-O 3.48Å; A853-E874 PolarHBondContact N-OE2 3.09Å
854	F	89.6	Confident	89.4	Confident	7 Å²	7	64.4 Å²	64.4	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-95.5	-30.7	179.9	-60.2	-17.8	0	0	0	112.4	I816 I838 L850 P851 E852 R856 C857 L863 V867 P873	I816-F854 HydrophobicContact CB-CD2 4.41Å; I816-F854 HydrophobicContact CG2-CD2 4.37Å; I838-F854 HydrophobicContact CD1-CE2 4.36Å; I838-F854 HydrophobicContact CD1-CZ 4.32Å; L850-F854 HydrophobicContact CD2-CB 3.88Å; L850-F854 HydrophobicContact CG-CB 4.2Å; P851-F854 HydrophobicContact CB-CD2 4.01Å; P851-F854 HydrophobicContact CB-CG 4.29Å; P851-F854 HydrophobicContact CG-CD2 3.82Å; P851-F854 HydrophobicContact CG-CE2 4.19Å; P851-F854 WeakPolarHBondContact O-CA 3.25Å; P851-F854 PolarHBondContact O-N 2.92Å; E852-F854 PolarHBondContact O-N 2.9Å; E852-F854 VanDerWaalsContact O-N 3.17Å; F854-R856 VanDerWaalsContact C-N 3.26Å; F854-R856 PolarHBondContact O-N 2.95Å; F854-C857 VanDerWaalsContact O-CB 3.25Å; F854-C857 WeakPolarHBondContact O-CB 3.43Å; F854-C857 PolarHBondContact O-N 3.43Å; F854-L863 HydrophobicContact CB-CD1 3.9Å; F854-L863 HydrophobicContact CD1-CD1 3.49Å; F854-L863 VanDerWaalsContact CD1-CD1 3.49Å; F854-L863 HydrophobicContact CE1-CD1 4.13Å; F854-L863 HydrophobicContact CG-CD1 3.74Å; F854-V867 HydrophobicContact CE1-CG2 4.17Å; F854-P873 HydrophobicContact CE2-CG 3.7Å; F854-P873 HydrophobicContact CZ-CG 3.79Å
855	E	87.8	Confident	88.9	Confident	139 Å²	139	67.9 Å²	67.9	65%	0.65	36%	0.357	S	S	*	.	H	α-helix	trans	-63.8	-33.9	-179.8	-171.3	171.4	-151.4	0	0	112.1	L850 P851 E852 C857	L850-E855 HydrophobicContact CD2-CB 3.99Å; P851-E855 PolarHBondContact O-N 3.43Å; E852-E855 PolarHBondContact O-N 3.32Å; E855-C857 PolarHBondContact O-N 3.22Å
856	R	84.6	Confident	88.6	Confident	175 Å²	175	68.8 Å²	68.8	66%	0.66	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-7.9	176.2	-64.4	172.3	-179.4	-175.3	1.5	113.6	E852 F854 A858	E852-R856 WeakPolarHBondContact O-CG 3.48Å; E852-R856 PolarHBondContact O-N 3.31Å; E852-R856 IonicContact OE1-CZ 2.93Å; E852-R856 IonicContact OE1-NE 3.93Å; E852-R856 PolarHBondContact OE1-NE 2.96Å; E852-R856 IonicContact OE1-NH2 3.28Å; E852-R856 PolarHBondContact OE1-NH2 3.02Å; E852-R856 IonicContact OE2-NH2 3.88Å; F854-R856 VanDerWaalsContact C-N 3.26Å; F854-R856 PolarHBondContact O-N 2.95Å; R856-A858 PolarHBondContact O-N 2.96Å
857	C	87.1	Confident	88.3	Confident	20 Å²	20	67.9 Å²	67.9	14%	0.135	35%	0.35	C	S	.	.			trans	-82.9	109.3	-179	-64.2	0	0	0	0	111.5	F854 E855 S859 L863 N866	F854-C857 VanDerWaalsContact O-CB 3.25Å; F854-C857 WeakPolarHBondContact O-CB 3.43Å; F854-C857 PolarHBondContact O-N 3.43Å; E855-C857 PolarHBondContact O-N 3.22Å; C857-S859 VanDerWaalsContact C-N 3.25Å; C857-S859 PolarHBondContact O-N 2.78Å; C857-L863 HydrophobicContact CB-CB 3.91Å; C857-L863 HydrophobicContact CB-CD1 4.36Å; C857-N866 PolarHBondContact SG-ND2 3.12Å; C857-N866 VanDerWaalsContact SG-ND2 3.42Å
858	A	83.9	Confident	88	Confident	98 Å²	98	72.7 Å²	72.7	81%	0.81	36%	0.362	S	S	*	.	S	Bend	trans	-62.6	-20.9	-178.9	0	0	0	0	0	116	R856 H862	R856-A858 PolarHBondContact O-N 2.96Å; A858-H862 PolarHBondContact N-ND1 3.48Å
859	S	88.7	Confident	87.8	Confident	59 Å²	59	81.2 Å²	81.2	41%	0.413	39%	0.391	S	S	.	.	S	Bend	trans	-150.7	167.4	-179.8	75.5	0	0	0	0	111.5	C857 D861 H862 L863	C857-S859 VanDerWaalsContact C-N 3.25Å; C857-S859 PolarHBondContact O-N 2.78Å; S859-D861 VanDerWaalsContact C-N 3.33Å; S859-D861 PolarHBondContact O-N 3.31Å; S859-D861 PolarHBondContact OG-N 2.88Å; S859-H862 PolarHBondContact O-N 2.88Å; S859-H862 PolarHBondContact OG-N 3.32Å; S859-H862 VanDerWaalsContact OG-N 3.09Å; S859-L863 PolarHBondContact O-N 3.23Å
860	K	83.6	Confident	87.7	Confident	135 Å²	135	75.6 Å²	75.6	59%	0.587	38%	0.38	S	S	*	.	H	α-helix	trans	-61	-42.4	173.8	-59.9	-178.3	178.3	176.9	0	111.5	P815 H862 L863 W864	P815-K860 HydrophobicContact CG-CD 3.96Å; P815-K860 HydrophobicContact CG-CG 4.35Å; K860-H862 VanDerWaalsContact C-N 3.3Å; K860-H862 PolarHBondContact O-N 2.89Å; K860-L863 WeakPolarHBondContact O-CB 3.37Å; K860-L863 PolarHBondContact O-N 3.31Å; K860-W864 HydrophobicContact CB-CD2 4.29Å; K860-W864 HydrophobicContact CB-CE3 4.04Å; K860-W864 HydrophobicContact CB-CH2 3.26Å; K860-W864 HydrophobicContact CB-CZ2 3.6Å; K860-W864 HydrophobicContact CB-CZ3 3.48Å; K860-W864 VanDerWaalsContact CB-CZ3 3.48Å; K860-W864 HydrophobicContact CD-CH2 3.81Å; K860-W864 HydrophobicContact CD-CZ2 4.1Å; K860-W864 HydrophobicContact CG-CH2 4.15Å; K860-W864 HydrophobicContact CG-CZ2 4.34Å; K860-W864 VanDerWaalsContact O-CG 3.22Å; K860-W864 PolarHBondContact O-N 3.04Å
861	D	85.4	Confident	87.8	Confident	104 Å²	104	73.7 Å²	73.7	56%	0.556	37%	0.374	S	S	*	.	H	α-helix	trans	-60.5	-39.8	175.5	-64	-48.9	0	0	0	112.8	S859 W864 N865	S859-D861 VanDerWaalsContact C-N 3.33Å; S859-D861 PolarHBondContact O-N 3.31Å; S859-D861 PolarHBondContact OG-N 2.88Å; D861-W864 VanDerWaalsContact CA-CE3 3.44Å; D861-W864 HydrophobicContact CB-CE3 4.37Å; D861-W864 PolarHBondContact O-N 3.38Å; D861-W864 VanDerWaalsContact OD1-CE3 3.31Å; D861-W864 WeakPolarHBondContact OD1-CZ3 3.37Å; D861-N865 WeakPolarHBondContact O-CB 3.49Å; D861-N865 PolarHBondContact O-N 3.34Å; D861-N865 PolarHBondContact O-ND2 2.93Å
862	H	89.2	Confident	87.9	Confident	77 Å²	77	75.6 Å²	75.6	36%	0.356	38%	0.381	S	S	.	.	H	α-helix	trans	-65.2	-45.6	175.7	-172.2	-168.6	0	0	0	111.2	A858 S859 K860 W864 N865 N866	A858-H862 PolarHBondContact N-ND1 3.48Å; S859-H862 PolarHBondContact O-N 2.88Å; S859-H862 PolarHBondContact OG-N 3.32Å; S859-H862 VanDerWaalsContact OG-N 3.09Å; K860-H862 VanDerWaalsContact C-N 3.3Å; K860-H862 PolarHBondContact O-N 2.89Å; H862-W864 VanDerWaalsContact C-N 3.32Å; H862-W864 PolarHBondContact O-N 3.04Å; H862-N865 PolarHBondContact O-N 3.38Å; H862-N866 PolarHBondContact CD2-ND2 3.41Å; H862-N866 PolarHBondContact NE2-ND2 2.97Å; H862-N866 PolarHBondContact O-N 3.03Å; H862-N866 PolarHBondContact O-ND2 3.4Å
863	L	88.5	Confident	88.1	Confident	10 Å²	10	71.2 Å²	71.2	5%	0.052	36%	0.362	C	S	.	.	H	α-helix	trans	-55.5	-48.1	174.4	175.8	68.6	0	0	0	111.2	P815 I816 F854 C857 S859 K860 N866 V867	P815-L863 HydrophobicContact CB-CD2 4.11Å; I816-L863 HydrophobicContact CB-CD2 4.46Å; I816-L863 HydrophobicContact CG2-CD2 3.58Å; F854-L863 HydrophobicContact CB-CD1 3.9Å; F854-L863 HydrophobicContact CD1-CD1 3.49Å; F854-L863 VanDerWaalsContact CD1-CD1 3.49Å; F854-L863 HydrophobicContact CE1-CD1 4.13Å; F854-L863 HydrophobicContact CG-CD1 3.74Å; C857-L863 HydrophobicContact CB-CB 3.91Å; C857-L863 HydrophobicContact CB-CD1 4.36Å; S859-L863 PolarHBondContact O-N 3.23Å; K860-L863 WeakPolarHBondContact O-CB 3.37Å; K860-L863 PolarHBondContact O-N 3.31Å; L863-N866 PolarHBondContact O-N 3.41Å; L863-V867 HydrophobicContact CD1-CG2 4.27Å; L863-V867 HydrophobicContact CG-CG2 4.45Å; L863-V867 WeakPolarHBondContact O-CG2 3.26Å; L863-V867 PolarHBondContact O-N 2.96Å
864	W	84.5	Confident	88.5	Confident	43 Å²	43	72.2 Å²	72.2	16%	0.163	36%	0.361	C	S	.	.	H	α-helix	trans	-65.9	-42.2	-178	-62.7	-42.9	0	0	0	113.3	P815 F823 K860 D861 H862 N866 V867 R868	P815-W864 HydrophobicContact CB-CZ2 3.85Å; P815-W864 HydrophobicContact CG-CZ2 3.82Å; F823-W864 AromaticContact CE1-CD2 3.87Å; F823-W864 HydrophobicContact CE1-CD2 3.87Å; F823-W864 HydrophobicContact CE1-CE3 4.26Å; F823-W864 AromaticContact CE1-CG 3.98Å; F823-W864 HydrophobicContact CE1-CG 3.98Å; F823-W864 HydrophobicContact CE2-CB 4.43Å; F823-W864 AromaticContact CE2-CD1 3.76Å; F823-W864 HydrophobicContact CE2-CG 4.08Å; F823-W864 HydrophobicContact CZ-CB 4.13Å; F823-W864 AromaticContact CZ-CD1 3.25Å; F823-W864 AromaticContact CZ-CD2 3.7Å; F823-W864 HydrophobicContact CZ-CD2 3.7Å; F823-W864 AromaticContact CZ-CE2 3.68Å; F823-W864 AromaticContact CZ-CG 3.44Å; F823-W864 HydrophobicContact CZ-CG 3.44Å; F823-W864 VanDerWaalsContact CZ-CG 3.44Å; F823-W864 HydrophobicContact CZ-CZ2 4.48Å; F823-W864 AromaticContact CZ-NE1 3.39Å; K860-W864 HydrophobicContact CB-CD2 4.29Å; K860-W864 HydrophobicContact CB-CE3 4.04Å; K860-W864 HydrophobicContact CB-CH2 3.26Å; K860-W864 HydrophobicContact CB-CZ2 3.6Å; K860-W864 HydrophobicContact CB-CZ3 3.48Å; K860-W864 VanDerWaalsContact CB-CZ3 3.48Å; K860-W864 HydrophobicContact CD-CH2 3.81Å; K860-W864 HydrophobicContact CD-CZ2 4.1Å; K860-W864 HydrophobicContact CG-CH2 4.15Å; K860-W864 HydrophobicContact CG-CZ2 4.34Å; K860-W864 VanDerWaalsContact O-CG 3.22Å; K860-W864 PolarHBondContact O-N 3.04Å; D861-W864 VanDerWaalsContact CA-CE3 3.44Å; D861-W864 HydrophobicContact CB-CE3 4.37Å; D861-W864 PolarHBondContact O-N 3.38Å; D861-W864 VanDerWaalsContact OD1-CE3 3.31Å; D861-W864 WeakPolarHBondContact OD1-CZ3 3.37Å; H862-W864 VanDerWaalsContact C-N 3.32Å; H862-W864 PolarHBondContact O-N 3.04Å; W864-N866 PolarHBondContact O-N 3.41Å; W864-V867 PolarHBondContact O-N 3.5Å; W864-R868 WeakPolarHBondContact O-CB 3.4Å; W864-R868 WeakPolarHBondContact O-CG 3.36Å; W864-R868 PolarHBondContact O-N 3.16Å
865	N	86.8	Confident	88.8	Confident	79 Å²	79	77.5 Å²	77.5	42%	0.422	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-37.6	175.3	-75.6	-25.1	0	0	0	111.5	D861 H862 R869	D861-N865 WeakPolarHBondContact O-CB 3.49Å; D861-N865 PolarHBondContact O-N 3.34Å; D861-N865 PolarHBondContact O-ND2 2.93Å; H862-N865 PolarHBondContact O-N 3.38Å; N865-R869 VanDerWaalsContact O-CG 3.29Å; N865-R869 WeakPolarHBondContact O-CG 3.24Å; N865-R869 PolarHBondContact O-N 2.99Å; N865-R869 VanDerWaalsContact O-N 3.12Å
866	N	89.3	Confident	89.1	Confident	38 Å²	38	73 Å²	73	20%	0.203	36%	0.36	C	S	.	.	H	α-helix	trans	-69.7	-45.2	175.7	-69.7	-15.7	0	0	0	111.5	C857 H862 L863 W864 R868 R869 G870 A871	C857-N866 PolarHBondContact SG-ND2 3.12Å; C857-N866 VanDerWaalsContact SG-ND2 3.42Å; H862-N866 PolarHBondContact CD2-ND2 3.41Å; H862-N866 PolarHBondContact NE2-ND2 2.97Å; H862-N866 PolarHBondContact O-N 3.03Å; H862-N866 PolarHBondContact O-ND2 3.4Å; L863-N866 PolarHBondContact O-N 3.41Å; W864-N866 PolarHBondContact O-N 3.41Å; N866-R868 VanDerWaalsContact C-N 3.31Å; N866-R868 PolarHBondContact O-N 2.99Å; N866-R869 CarbonylContact O-C 3.57Å; N866-R869 WeakPolarHBondContact O-CA 3.37Å; N866-R869 WeakPolarHBondContact O-CB 3.42Å; N866-R869 PolarHBondContact O-N 3.42Å; N866-G870 PolarHBondContact O-N 2.71Å; N866-A871 VanDerWaalsContact C-CB 3.44Å; N866-A871 HydrophobicContact CB-CB 3.8Å; N866-A871 WeakPolarHBondContact O-CB 3.34Å; N866-A871 PolarHBondContact O-N 3.24Å
867	V	89.5	Confident	89.6	Confident	8 Å²	8	71.2 Å²	71.2	5%	0.048	37%	0.372	C	S	.	.	H	α-helix	trans	-59.7	-40.7	176.5	169.6	0	0	0	0	111.5	P820 Y834 F854 L863 W864 R869 G870 R872	P820-V867 HydrophobicContact CB-CG1 4.35Å; Y834-V867 WeakPolarHBondContact OH-CG1 3.26Å; F854-V867 HydrophobicContact CE1-CG2 4.17Å; L863-V867 HydrophobicContact CD1-CG2 4.27Å; L863-V867 HydrophobicContact CG-CG2 4.45Å; L863-V867 WeakPolarHBondContact O-CG2 3.26Å; L863-V867 PolarHBondContact O-N 2.96Å; W864-V867 PolarHBondContact O-N 3.5Å; V867-R869 VanDerWaalsContact C-N 3.3Å; V867-R869 PolarHBondContact O-N 3.1Å; V867-G870 PolarHBondContact O-N 3.16Å; V867-R872 PolarHBondContact O-NH1 3.34Å
868	R	85.9	Confident	89.7	Confident	138 Å²	138	74.9 Å²	74.9	52%	0.521	39%	0.393	S	S	.	.	H	α-helix	trans	-63.1	-32.8	173.5	-79.9	176.1	163.4	179.6	-9	113.3	P820 W864 N866 G870	P820-R868 HydrophobicContact CB-CG 4.41Å; W864-R868 WeakPolarHBondContact O-CB 3.4Å; W864-R868 WeakPolarHBondContact O-CG 3.36Å; W864-R868 PolarHBondContact O-N 3.16Å; N866-R868 VanDerWaalsContact C-N 3.31Å; N866-R868 PolarHBondContact O-N 2.99Å; R868-G870 PolarHBondContact O-N 2.99Å
869	R	89.1	Confident	90.2	Very high	211 Å²	211	70.8 Å²	70.8	80%	0.796	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	2.5	173.3	-71.3	172.9	179.1	176.1	-0.7	113.3	N865 N866 V867	N865-R869 VanDerWaalsContact O-CG 3.29Å; N865-R869 WeakPolarHBondContact O-CG 3.24Å; N865-R869 PolarHBondContact O-N 2.99Å; N865-R869 VanDerWaalsContact O-N 3.12Å; N866-R869 CarbonylContact O-C 3.57Å; N866-R869 WeakPolarHBondContact O-CA 3.37Å; N866-R869 WeakPolarHBondContact O-CB 3.42Å; N866-R869 PolarHBondContact O-N 3.42Å; V867-R869 VanDerWaalsContact C-N 3.3Å; V867-R869 PolarHBondContact O-N 3.1Å
870	G	90	Very high	90.5	Very high	47 Å²	47	69.9 Å²	69.9	49%	0.485	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	9.2	177.7	0	0	0	0	0	114.9	N866 V867 R868 R872	N866-G870 PolarHBondContact O-N 2.71Å; V867-G870 PolarHBondContact O-N 3.16Å; R868-G870 PolarHBondContact O-N 2.99Å; G870-R872 PolarHBondContact O-N 3.4Å
871	A	91.2	Very high	91	Very high	30 Å²	30	67.5 Å²	67.5	25%	0.248	34%	0.338	C	S	.	.			trans	-62.1	132.4	174.7	0	0	0	0	0	110.9	N866	N866-A871 VanDerWaalsContact C-CB 3.44Å; N866-A871 HydrophobicContact CB-CB 3.8Å; N866-A871 WeakPolarHBondContact O-CB 3.34Å; N866-A871 PolarHBondContact O-N 3.24Å
872	R	93.9	Very high	91.5	Very high	40 Å²	40	66.4 Å²	66.4	15%	0.151	33%	0.33	C	S	.	.			trans	-137.6	162.7	179	-65.7	-62.2	179.5	-85.5	-0.5	109.5	A853 V867 G870 W891	A853-R872 VanDerWaalsContact CB-O 3.29Å; A853-R872 WeakPolarHBondContact CB-O 3.48Å; V867-R872 PolarHBondContact O-NH1 3.34Å; G870-R872 PolarHBondContact O-N 3.4Å; R872-W891 HydrophobicContact CB-CZ2 4.2Å; R872-W891 HydrophobicContact CG-CD2 4.44Å; R872-W891 HydrophobicContact CG-CG 4.48Å; R872-W891 PolarHBondContact NE-O 2.95Å; R872-W891 PolarHBondContact NH2-O 3.19Å
873	P	94.7	Very high	91.9	Very high	5 Å²	5	63 Å²	63	3%	0.032	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-53.4	146.4	171.3	-27.3	37.9	0	0	0	112.2	I838 W841 P851 F854 W884 W891	I838-P873 HydrophobicContact CD1-CG 3.94Å; W841-P873 HydrophobicContact CD2-CB 3.99Å; W841-P873 HydrophobicContact CG-CB 3.91Å; W841-P873 HydrophobicContact CG-CG 4.45Å; W841-P873 HydrophobicContact CZ2-CB 4.37Å; P851-P873 HydrophobicContact CB-CB 3.8Å; P851-P873 HydrophobicContact CB-CG 4.21Å; P851-P873 HydrophobicContact CG-CB 3.78Å; P851-P873 HydrophobicContact CG-CG 3.89Å; F854-P873 HydrophobicContact CE2-CG 3.7Å; F854-P873 HydrophobicContact CZ-CG 3.79Å; P873-W884 WeakPolarHBondContact O-CH2 3.2Å; P873-W891 HydrophobicContact CB-CH2 3.79Å; P873-W891 HydrophobicContact CB-CZ3 3.85Å; P873-W891 HydrophobicContact CG-CE3 4.23Å; P873-W891 HydrophobicContact CG-CH2 3.88Å; P873-W891 HydrophobicContact CG-CZ3 3.45Å; P873-W891 VanDerWaalsContact CG-CZ3 3.45Å
874	E	94.6	Very high	92.3	Very high	54 Å²	54	63.6 Å²	63.6	25%	0.252	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-69.7	152.6	177.9	64.2	-78.7	-180	0	0	112.8	W841 P851 E852 A853 L876	W841-E874 PolarHBondContact NE1-O 3.35Å; P851-E874 WeakPolarHBondContact CA-OE1 3.31Å; P851-E874 WeakPolarHBondContact CB-OE2 3.46Å; E852-E874 VanDerWaalsContact N-CD 3.31Å; E852-E874 PolarHBondContact N-OE1 3.06Å; E852-E874 PolarHBondContact N-OE2 3.14Å; A853-E874 PolarHBondContact N-OE2 3.09Å; E874-L876 HydrophobicContact CG-CD2 3.93Å; E874-L876 PolarHBondContact O-N 2.66Å
875	R	96.2	Very high	92.9	Very high	117 Å²	117	66.2 Å²	66.2	44%	0.442	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-76.6	120.2	170.4	-174.7	175.4	173.7	167.4	-0.6	109.8	F879 E881 W884	R875-F879 HydrophobicContact CG-CD2 4.21Å; R875-E881 IonicContact CZ-OE2 3.23Å; R875-E881 IonicContact NH1-OE1 3.9Å; R875-E881 IonicContact NH1-OE2 3.86Å; R875-E881 PolarHBondContact NH1-OE2 2.92Å; R875-E881 IonicContact NH2-OE2 2.72Å; R875-E881 PolarHBondContact NH2-OE2 2.73Å; R875-W884 HydrophobicContact CB-CD2 3.96Å; R875-W884 HydrophobicContact CB-CE3 3.96Å; R875-W884 HydrophobicContact CB-CH2 3.69Å; R875-W884 HydrophobicContact CB-CZ2 3.72Å; R875-W884 HydrophobicContact CB-CZ3 3.81Å; R875-W884 HydrophobicContact CG-CD2 3.71Å; R875-W884 HydrophobicContact CG-CE3 3.87Å; R875-W884 HydrophobicContact CG-CG 4.14Å; R875-W884 HydrophobicContact CG-CH2 4.48Å; R875-W884 HydrophobicContact CG-CZ2 4.38Å; R875-W884 HydrophobicContact CG-CZ3 4.24Å
876	L	95.3	Very high	93.4	Very high	44 Å²	44	62.4 Å²	62.4	23%	0.23	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-89.2	149.5	175.9	-59	-178.2	0	0	0	111.4	W841 E874 V878 F879	W841-L876 HydrophobicContact CH2-CD1 4.05Å; W841-L876 HydrophobicContact CZ2-CD1 3.72Å; W841-L876 HydrophobicContact CZ2-CD2 4.31Å; W841-L876 HydrophobicContact CZ2-CG 3.92Å; E874-L876 HydrophobicContact CG-CD2 3.93Å; E874-L876 PolarHBondContact O-N 2.66Å; L876-V878 HydrophobicContact CB-CG1 4.07Å; L876-V878 PolarHBondContact O-N 3.02Å; L876-V878 VanDerWaalsContact O-N 3.12Å; L876-F879 HydrophobicContact CB-CD1 4.16Å; L876-F879 HydrophobicContact CB-CD2 4.04Å; L876-F879 HydrophobicContact CB-CE1 3.9Å; L876-F879 HydrophobicContact CB-CE2 3.78Å; L876-F879 HydrophobicContact CB-CG 4.22Å; L876-F879 HydrophobicContact CB-CZ 3.71Å; L876-F879 HydrophobicContact CD1-CE1 3.95Å; L876-F879 HydrophobicContact CD1-CE2 4.35Å; L876-F879 HydrophobicContact CD1-CZ 3.62Å; L876-F879 HydrophobicContact CG-CE1 4.19Å; L876-F879 HydrophobicContact CG-CE2 3.85Å; L876-F879 HydrophobicContact CG-CZ 3.63Å; L876-F879 VanDerWaalsContact N-CD2 3.27Å; L876-F879 VanDerWaalsContact N-CE2 3.33Å; L876-F879 WeakPolarHBondContact O-CB 3.49Å; L876-F879 PolarHBondContact O-N 3.24Å
877	P	93.1	Very high	93.8	Very high	139 Å²	139	60.6 Å²	60.6	90%	0.903	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.3	178.7	-25.4	34.6	0	0	0	114.8	F879	P877-F879 PolarHBondContact O-N 2.88Å
878	V	90.2	Very high	94.2	Very high	97 Å²	97	64.6 Å²	64.6	59%	0.588	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.4	179	70.7	0	0	0	0	113	L876 D880	L876-V878 HydrophobicContact CB-CG1 4.07Å; L876-V878 PolarHBondContact O-N 3.02Å; L876-V878 VanDerWaalsContact O-N 3.12Å; V878-D880 PolarHBondContact O-N 2.91Å
879	F	94.7	Very high	94.7	Very high	12 Å²	12	59.7 Å²	59.7	5%	0.053	31%	0.308	C	S	.	.			trans	-80.7	124.6	-176.1	-61.9	-16.9	0	0	0	111.9	W841 C844 R875 L876 P877 W884 M887	W841-F879 AromaticContact CD1-CE2 3.47Å; W841-F879 VanDerWaalsContact CD1-CE2 3.47Å; W841-F879 AromaticContact CD1-CZ 3.62Å; W841-F879 HydrophobicContact CD2-CZ 4.12Å; W841-F879 AromaticContact CE2-CZ 3.75Å; W841-F879 HydrophobicContact CG-CE2 4.33Å; W841-F879 HydrophobicContact CG-CZ 4.06Å; W841-F879 HydrophobicContact CZ2-CZ 4.37Å; W841-F879 AromaticContact NE1-CE2 3.3Å; W841-F879 VanDerWaalsContact NE1-CE2 3.3Å; W841-F879 AromaticContact NE1-CZ 3.46Å; C844-F879 HydrophobicContact CB-CD1 3.91Å; C844-F879 HydrophobicContact CB-CE1 3.87Å; R875-F879 HydrophobicContact CG-CD2 4.21Å; L876-F879 HydrophobicContact CB-CD1 4.16Å; L876-F879 HydrophobicContact CB-CD2 4.04Å; L876-F879 HydrophobicContact CB-CE1 3.9Å; L876-F879 HydrophobicContact CB-CE2 3.78Å; L876-F879 HydrophobicContact CB-CG 4.22Å; L876-F879 HydrophobicContact CB-CZ 3.71Å; L876-F879 HydrophobicContact CD1-CE1 3.95Å; L876-F879 HydrophobicContact CD1-CE2 4.35Å; L876-F879 HydrophobicContact CD1-CZ 3.62Å; L876-F879 HydrophobicContact CG-CE1 4.19Å; L876-F879 HydrophobicContact CG-CE2 3.85Å; L876-F879 HydrophobicContact CG-CZ 3.63Å; L876-F879 VanDerWaalsContact N-CD2 3.27Å; L876-F879 VanDerWaalsContact N-CE2 3.33Å; L876-F879 WeakPolarHBondContact O-CB 3.49Å; L876-F879 PolarHBondContact O-N 3.24Å; P877-F879 PolarHBondContact O-N 2.88Å; F879-W884 AromaticContact CD2-CE3 3.63Å; F879-W884 HydrophobicContact CD2-CE3 3.63Å; F879-W884 HydrophobicContact CD2-CZ3 4.05Å; F879-W884 HydrophobicContact CE2-CE3 4.04Å; F879-W884 HydrophobicContact CE2-CZ3 4.01Å; F879-M887 HydrophobicContact CE2-SD 4.45Å
880	D	94.7	Very high	95.1	Very high	39 Å²	39	49.7 Å²	49.7	21%	0.209	27%	0.27	C	S	.	.			trans	-60.1	147.2	162.6	177.2	-89.2	0	0	0	111.1	V878 E882 C883 W884 R914 L915	V878-D880 PolarHBondContact O-N 2.91Å; D880-E882 WeakPolarHBondContact OD1-CB 3.37Å; D880-E882 PolarHBondContact OD1-N 3.31Å; D880-C883 HydrophobicContact CB-CB 4.12Å; D880-C883 WeakPolarHBondContact O-CB 3.47Å; D880-C883 PolarHBondContact O-N 3.42Å; D880-C883 PolarHBondContact OD1-N 2.93Å; D880-W884 PolarHBondContact O-N 3.31Å; D880-R914 IonicContact OD1-CZ 2.73Å; D880-R914 IonicContact OD1-NH1 3.76Å; D880-R914 IonicContact OD1-NH2 2.97Å; D880-R914 PolarHBondContact OD1-NH2 2.84Å; D880-R914 IonicContact OD2-CZ 3.33Å; D880-R914 IonicContact OD2-NH1 3.53Å; D880-R914 PolarHBondContact OD2-NH1 3.48Å; D880-R914 IonicContact OD2-NH2 3.65Å; D880-R914 PolarHBondContact OD2-NH2 3.25Å; D880-R914 VanDerWaalsContact OD2-NH2 3.09Å; D880-L915 HydrophobicContact CB-CD1 4.08Å; D880-L915 HydrophobicContact CB-CD2 4.31Å
881	E	95.1	Very high	95.5	Very high	85 Å²	85	47.8 Å²	47.8	40%	0.397	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-44.4	-176.5	-176.5	60.8	-145.4	0	0	112.7	R875 W884 Q885	R875-E881 IonicContact CZ-OE2 3.23Å; R875-E881 IonicContact NH1-OE1 3.9Å; R875-E881 IonicContact NH1-OE2 3.86Å; R875-E881 PolarHBondContact NH1-OE2 2.92Å; R875-E881 IonicContact NH2-OE2 2.72Å; R875-E881 PolarHBondContact NH2-OE2 2.73Å; E881-W884 PolarHBondContact O-N 2.92Å; E881-Q885 WeakPolarHBondContact O-CG 3.03Å; E881-Q885 PolarHBondContact O-N 3.4Å; E881-Q885 PolarHBondContact OE1-NE2 3.01Å
882	E	95.7	Very high	95.7	Very high	82 Å²	82	48.9 Å²	48.9	38%	0.383	25%	0.25	S	C	.	.	H	α-helix	trans	-71.2	-34.9	-180	-64.2	175	-178.9	0	0	111.1	D880 W884 Q885 L886 I911 R914	D880-E882 WeakPolarHBondContact OD1-CB 3.37Å; D880-E882 PolarHBondContact OD1-N 3.31Å; E882-W884 VanDerWaalsContact C-N 3.33Å; E882-W884 PolarHBondContact O-N 2.95Å; E882-Q885 PolarHBondContact O-N 2.82Å; E882-L886 WeakPolarHBondContact O-CB 3.38Å; E882-L886 PolarHBondContact O-N 3.28Å; E882-I911 HydrophobicContact CB-CD1 3.87Å; E882-I911 HydrophobicContact CB-CG1 3.73Å; E882-I911 WeakPolarHBondContact OE2-CG1 3.27Å; E882-R914 VanDerWaalsContact CD-NH2 3.25Å; E882-R914 IonicContact OE1-CZ 2.83Å; E882-R914 IonicContact OE1-NE 2.75Å; E882-R914 PolarHBondContact OE1-NE 3.02Å; E882-R914 IonicContact OE1-NH2 2.8Å; E882-R914 IonicContact OE2-CZ 3.68Å; E882-R914 VanDerWaalsContact OE2-CZ 3.28Å; E882-R914 IonicContact OE2-NE 2.63Å; E882-R914 PolarHBondContact OE2-NE 2.79Å; E882-R914 IonicContact OE2-NH2 3.35Å; E882-R914 PolarHBondContact OE2-NH2 3.16Å
883	C	96.8	Very high	95.6	Very high	4 Å²	4	49 Å²	49	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-46.9	170.6	-76	0	0	0	0	111.1	F840 D880 L886 M887 I911	F840-C883 HydrophobicContact CE1-CB 4.29Å; F840-C883 HydrophobicContact CZ-CB 4.41Å; D880-C883 HydrophobicContact CB-CB 4.12Å; D880-C883 WeakPolarHBondContact O-CB 3.47Å; D880-C883 PolarHBondContact O-N 3.42Å; D880-C883 PolarHBondContact OD1-N 2.93Å; C883-L886 PolarHBondContact O-N 2.95Å; C883-M887 HydrophobicContact CB-CE 4.19Å; C883-M887 WeakPolarHBondContact O-CG 3.4Å; C883-M887 PolarHBondContact O-N 3.44Å; C883-I911 WeakPolarHBondContact SG-CG2 3.42Å
884	W	97.6	Very high	95.5	Very high	23 Å²	23	51.5 Å²	51.5	9%	0.087	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-46.2	179.7	-179.9	-103.7	0	0	0	112	P873 R875 F879 D880 E881 E882 L886 M887 E888 W891	P873-W884 WeakPolarHBondContact O-CH2 3.2Å; R875-W884 HydrophobicContact CB-CD2 3.96Å; R875-W884 HydrophobicContact CB-CE3 3.96Å; R875-W884 HydrophobicContact CB-CH2 3.69Å; R875-W884 HydrophobicContact CB-CZ2 3.72Å; R875-W884 HydrophobicContact CB-CZ3 3.81Å; R875-W884 HydrophobicContact CG-CD2 3.71Å; R875-W884 HydrophobicContact CG-CE3 3.87Å; R875-W884 HydrophobicContact CG-CG 4.14Å; R875-W884 HydrophobicContact CG-CH2 4.48Å; R875-W884 HydrophobicContact CG-CZ2 4.38Å; R875-W884 HydrophobicContact CG-CZ3 4.24Å; F879-W884 AromaticContact CD2-CE3 3.63Å; F879-W884 HydrophobicContact CD2-CE3 3.63Å; F879-W884 HydrophobicContact CD2-CZ3 4.05Å; F879-W884 HydrophobicContact CE2-CE3 4.04Å; F879-W884 HydrophobicContact CE2-CZ3 4.01Å; D880-W884 PolarHBondContact O-N 3.31Å; E881-W884 PolarHBondContact O-N 2.92Å; E882-W884 VanDerWaalsContact C-N 3.33Å; E882-W884 PolarHBondContact O-N 2.95Å; W884-L886 VanDerWaalsContact C-N 3.29Å; W884-L886 PolarHBondContact O-N 3.31Å; W884-M887 HydrophobicContact CE3-SD 4.05Å; W884-M887 HydrophobicContact CZ3-SD 4.45Å; W884-M887 WeakPolarHBondContact O-CB 3.43Å; W884-M887 PolarHBondContact O-N 3.16Å; W884-M887 VanDerWaalsContact O-N 3.14Å; W884-E888 HydrophobicContact CD2-CG 4.5Å; W884-E888 HydrophobicContact CZ2-CG 4.07Å; W884-E888 PolarHBondContact NE1-OE1 3.01Å; W884-E888 PolarHBondContact NE1-OE2 3.2Å; W884-E888 PolarHBondContact O-N 3.03Å; W884-W891 HydrophobicContact CH2-CH2 4.01Å; W884-W891 AromaticContact CH2-CZ2 3.7Å; W884-W891 HydrophobicContact CH2-CZ2 3.7Å; W884-W891 HydrophobicContact CZ2-CZ2 4.33Å; W884-W891 AromaticContact CZ3-CH2 3.87Å; W884-W891 HydrophobicContact CZ3-CH2 3.87Å; W884-W891 AromaticContact CZ3-CZ2 3.91Å; W884-W891 HydrophobicContact CZ3-CZ2 3.91Å
885	Q	97.3	Very high	95.4	Very high	98 Å²	98	50.7 Å²	50.7	46%	0.458	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-38.9	176.7	-71.4	173.5	9.4	0	0	112.2	E881 E882 E888 A889	E881-Q885 WeakPolarHBondContact O-CG 3.03Å; E881-Q885 PolarHBondContact O-N 3.4Å; E881-Q885 PolarHBondContact OE1-NE2 3.01Å; E882-Q885 PolarHBondContact O-N 2.82Å; Q885-E888 PolarHBondContact O-N 3.24Å; Q885-A889 PolarHBondContact O-N 3.5Å
886	L	97.4	Very high	95.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-41.7	175.6	-175.8	59.3	0	0	0	111.8	F840 E882 C883 W884 E888 A889 C890 V904 M907 L908 I911	F840-L886 HydrophobicContact CD1-CD2 4.46Å; F840-L886 HydrophobicContact CE1-CB 4.32Å; F840-L886 HydrophobicContact CE1-CD2 3.9Å; F840-L886 HydrophobicContact CE1-CG 4.32Å; F840-L886 HydrophobicContact CZ-CD2 4.45Å; E882-L886 WeakPolarHBondContact O-CB 3.38Å; E882-L886 PolarHBondContact O-N 3.28Å; C883-L886 PolarHBondContact O-N 2.95Å; W884-L886 VanDerWaalsContact C-N 3.29Å; W884-L886 PolarHBondContact O-N 3.31Å; L886-E888 VanDerWaalsContact C-N 3.33Å; L886-E888 PolarHBondContact O-N 3.49Å; L886-A889 PolarHBondContact O-N 3.21Å; L886-C890 WeakPolarHBondContact O-CB 3.28Å; L886-C890 PolarHBondContact O-N 3.12Å; L886-C890 PolarHBondContact O-SG 2.79Å; L886-C890 VanDerWaalsContact O-SG 3.35Å; L886-V904 HydrophobicContact CD1-CG1 4.19Å; L886-V904 HydrophobicContact CD1-CG2 4.38Å; L886-V904 HydrophobicContact CD2-CG1 4.4Å; L886-M907 HydrophobicContact CD1-CB 4.48Å; L886-M907 HydrophobicContact CD1-CE 4.07Å; L886-M907 HydrophobicContact CD1-SD 4.21Å; L886-L908 HydrophobicContact CD2-CB 4.11Å; L886-L908 HydrophobicContact CD2-CD1 4.34Å; L886-I911 HydrophobicContact CB-CD1 4.41Å; L886-I911 HydrophobicContact CD2-CD1 4.04Å
887	M	97.2	Very high	95.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-46.8	173.2	-66.1	168.8	-157.3	0	0	110.9	F840 W841 C844 F879 C883 W884 A889 C890 W891	F840-M887 HydrophobicContact CB-CG 4.46Å; F840-M887 HydrophobicContact CD1-CE 3.83Å; F840-M887 HydrophobicContact CD1-CG 3.57Å; F840-M887 HydrophobicContact CE1-CE 4.01Å; F840-M887 HydrophobicContact CE1-CG 4.26Å; F840-M887 HydrophobicContact CG-CE 4.34Å; F840-M887 HydrophobicContact CG-CG 4.39Å; W841-M887 HydrophobicContact CB-SD 4.06Å; W841-M887 HydrophobicContact CG-SD 4.43Å; C844-M887 HydrophobicContact CB-CE 3.41Å; C844-M887 VanDerWaalsContact CB-CE 3.41Å; C844-M887 WeakPolarHBondContact SG-CE 3.41Å; F879-M887 HydrophobicContact CE2-SD 4.45Å; C883-M887 HydrophobicContact CB-CE 4.19Å; C883-M887 WeakPolarHBondContact O-CG 3.4Å; C883-M887 PolarHBondContact O-N 3.44Å; W884-M887 HydrophobicContact CE3-SD 4.05Å; W884-M887 HydrophobicContact CZ3-SD 4.45Å; W884-M887 WeakPolarHBondContact O-CB 3.43Å; W884-M887 PolarHBondContact O-N 3.16Å; W884-M887 VanDerWaalsContact O-N 3.14Å; M887-A889 PolarHBondContact O-N 2.91Å; M887-C890 PolarHBondContact O-N 3.43Å; M887-C890 VanDerWaalsContact O-N 3.17Å; M887-W891 HydrophobicContact CB-CH2 4.21Å; M887-W891 HydrophobicContact CB-CZ2 4.17Å; M887-W891 HydrophobicContact CB-CZ3 4.42Å; M887-W891 PolarHBondContact O-N 3.45Å
888	E	97.3	Very high	95.4	Very high	92 Å²	92	50.8 Å²	50.8	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-44.8	178.8	-74.6	-170.9	129.9	0	0	113.5	W884 Q885 L886 W891 D892	W884-E888 HydrophobicContact CD2-CG 4.5Å; W884-E888 HydrophobicContact CZ2-CG 4.07Å; W884-E888 PolarHBondContact NE1-OE1 3.01Å; W884-E888 PolarHBondContact NE1-OE2 3.2Å; W884-E888 PolarHBondContact O-N 3.03Å; Q885-E888 PolarHBondContact O-N 3.24Å; L886-E888 VanDerWaalsContact C-N 3.33Å; L886-E888 PolarHBondContact O-N 3.49Å; E888-W891 VanDerWaalsContact CA-NE1 3.32Å; E888-W891 HydrophobicContact CG-CZ2 4.44Å; E888-D892 PolarHBondContact O-N 3.32Å
889	A	97.2	Very high	95.7	Very high	35 Å²	35	47.2 Å²	47.2	29%	0.289	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-41.8	174.7	0	0	0	0	0	112	Q885 L886 M887 P899	Q885-A889 PolarHBondContact O-N 3.5Å; L886-A889 PolarHBondContact O-N 3.21Å; M887-A889 PolarHBondContact O-N 2.91Å; A889-P899 HydrophobicContact CB-CG 4.07Å; A889-P899 WeakPolarHBondContact O-CD 3.29Å
890	C	98	Very high	95.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.8	-36.9	-177.7	-75.8	0	0	0	0	113.5	V833 Y834 L886 M887 R898	V833-C890 HydrophobicContact CG1-CB 4.2Å; Y834-C890 WeakPolarHBondContact CA-O 3.4Å; Y834-C890 PolarHBondContact N-O 3.48Å; L886-C890 WeakPolarHBondContact O-CB 3.28Å; L886-C890 PolarHBondContact O-N 3.12Å; L886-C890 PolarHBondContact O-SG 2.79Å; L886-C890 VanDerWaalsContact O-SG 3.35Å; M887-C890 PolarHBondContact O-N 3.43Å; M887-C890 VanDerWaalsContact O-N 3.17Å; C890-R898 VanDerWaalsContact O-CD 3.29Å; C890-R898 WeakPolarHBondContact O-CD 3.49Å
891	W	96.6	Very high	95.7	Very high	8 Å²	8	51 Å²	51	3%	0.03	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	21.6	-176.7	67.4	20	0	0	0	114.8	Y834 I838 W841 R872 P873 W884 M887 E888	Y834-W891 HydrophobicContact CD2-CB 3.86Å; Y834-W891 HydrophobicContact CE2-CB 3.83Å; Y834-W891 WeakPolarHBondContact CE2-O 3.44Å; Y834-W891 HydrophobicContact CG-CB 4.49Å; I838-W891 HydrophobicContact CD1-CD2 4.48Å; I838-W891 HydrophobicContact CD1-CE3 3.53Å; I838-W891 HydrophobicContact CD1-CZ3 4.08Å; I838-W891 HydrophobicContact CG1-CE3 4.28Å; W841-W891 HydrophobicContact CB-CZ3 4.1Å; W841-W891 AromaticContact CD1-CH2 3.8Å; W841-W891 HydrophobicContact CG-CH2 4.49Å; W841-W891 HydrophobicContact CG-CZ3 4.34Å; R872-W891 HydrophobicContact CB-CZ2 4.2Å; R872-W891 HydrophobicContact CG-CD2 4.44Å; R872-W891 HydrophobicContact CG-CG 4.48Å; R872-W891 PolarHBondContact NE-O 2.95Å; R872-W891 PolarHBondContact NH2-O 3.19Å; P873-W891 HydrophobicContact CB-CH2 3.79Å; P873-W891 HydrophobicContact CB-CZ3 3.85Å; P873-W891 HydrophobicContact CG-CE3 4.23Å; P873-W891 HydrophobicContact CG-CH2 3.88Å; P873-W891 HydrophobicContact CG-CZ3 3.45Å; P873-W891 VanDerWaalsContact CG-CZ3 3.45Å; W884-W891 HydrophobicContact CH2-CH2 4.01Å; W884-W891 AromaticContact CH2-CZ2 3.7Å; W884-W891 HydrophobicContact CH2-CZ2 3.7Å; W884-W891 HydrophobicContact CZ2-CZ2 4.33Å; W884-W891 AromaticContact CZ3-CH2 3.87Å; W884-W891 HydrophobicContact CZ3-CH2 3.87Å; W884-W891 AromaticContact CZ3-CZ2 3.91Å; W884-W891 HydrophobicContact CZ3-CZ2 3.91Å; M887-W891 HydrophobicContact CB-CH2 4.21Å; M887-W891 HydrophobicContact CB-CZ2 4.17Å; M887-W891 HydrophobicContact CB-CZ3 4.42Å; M887-W891 PolarHBondContact O-N 3.45Å; E888-W891 VanDerWaalsContact CA-NE1 3.32Å; E888-W891 HydrophobicContact CG-CZ2 4.44Å
892	D	96.4	Very high	95.5	Very high	53 Å²	53	48.7 Å²	48.7	28%	0.283	27%	0.266	S	S	.	.			trans	-52.4	141.8	176.5	-163.2	-54.8	0	0	0	110.5	E888 D894 K897 R898	E888-D892 PolarHBondContact O-N 3.32Å; D892-D894 PolarHBondContact O-N 2.81Å; D892-D894 PolarHBondContact OD1-N 3.08Å; D892-K897 HydrophobicContact CB-CB 4.35Å; D892-R898 HydrophobicContact CB-CG 4.1Å; D892-R898 PolarHBondContact O-NE 3.17Å; D892-R898 PolarHBondContact O-NH2 3.18Å
893	G	91.8	Very high	95.4	Very high	41 Å²	41	49.1 Å²	49.1	42%	0.423	27%	0.27	S	S	.	.	S	Bend	trans	-66	-27.6	178.4	0	0	0	0	0	113.1
894	D	92.5	Very high	95.4	Very high	59 Å²	59	48.9 Å²	48.9	32%	0.316	27%	0.269	S	S	.	.	S	Bend	trans	-92.3	113.5	173.3	-174.8	-7.7	0	0	0	110	D892 L896 K897	D892-D894 PolarHBondContact O-N 2.81Å; D892-D894 PolarHBondContact OD1-N 3.08Å; D894-L896 PolarHBondContact O-N 3.2Å; D894-L896 VanDerWaalsContact O-N 3.17Å; D894-L896 WeakPolarHBondContact OD1-CB 3.31Å; D894-L896 PolarHBondContact OD1-N 3.45Å; D894-K897 HydrophobicContact CB-CB 4.33Å; D894-K897 HydrophobicContact CB-CD 3.97Å; D894-K897 HydrophobicContact CB-CG 3.98Å; D894-K897 PolarHBondContact O-N 3.05Å; D894-K897 VanDerWaalsContact O-N 3.09Å; D894-K897 WeakPolarHBondContact OD2-CE 3.28Å
895	P	93.3	Very high	95.3	Very high	36 Å²	36	50.4 Å²	50.4	23%	0.234	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-59.2	-28.1	-179.6	24.1	-33.5	0	0	0	113.1	E821 S830 K897 R898	E821-P895 HydrophobicContact CG-CG 4.4Å; S830-P895 VanDerWaalsContact OG-CB 3.22Å; S830-P895 WeakPolarHBondContact OG-CB 3.33Å; P895-K897 VanDerWaalsContact C-N 3.27Å; P895-K897 PolarHBondContact O-N 2.93Å; P895-R898 PolarHBondContact O-N 3.27Å
896	L	92.1	Very high	95.2	Very high	149 Å²	149	49.3 Å²	49.3	78%	0.78	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-72.9	-19	-179.8	-63.3	175.9	0	0	0	113.4	D894	D894-L896 PolarHBondContact O-N 3.2Å; D894-L896 VanDerWaalsContact O-N 3.17Å; D894-L896 WeakPolarHBondContact OD1-CB 3.31Å; D894-L896 PolarHBondContact OD1-N 3.45Å
897	K	95.4	Very high	95.2	Very high	139 Å²	139	53.6 Å²	53.6	60%	0.604	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-89	-14.2	177.8	-66.7	-175.7	-172.9	174.6	0	113.1	D892 D894 P895	D892-K897 HydrophobicContact CB-CB 4.35Å; D894-K897 HydrophobicContact CB-CB 4.33Å; D894-K897 HydrophobicContact CB-CD 3.97Å; D894-K897 HydrophobicContact CB-CG 3.98Å; D894-K897 PolarHBondContact O-N 3.05Å; D894-K897 VanDerWaalsContact O-N 3.09Å; D894-K897 WeakPolarHBondContact OD2-CE 3.28Å; P895-K897 VanDerWaalsContact C-N 3.27Å; P895-K897 PolarHBondContact O-N 2.93Å
898	R	97.2	Very high	95.1	Very high	15 Å²	15	53.6 Å²	53.6	6%	0.057	30%	0.299	C	S	.	.	S	Bend	trans	-67.6	137.2	-179.7	-61.9	178.3	-166.1	147.6	10.9	109.7	E821 S830 V833 C890 D892 P895	E821-R898 VanDerWaalsContact CD-NH2 3.34Å; E821-R898 IonicContact OE1-CZ 2.79Å; E821-R898 IonicContact OE1-NH1 3.98Å; E821-R898 PolarHBondContact OE1-NH1 3.07Å; E821-R898 IonicContact OE1-NH2 3.96Å; E821-R898 PolarHBondContact OE1-NH2 3.12Å; E821-R898 IonicContact OE2-CZ 3.98Å; E821-R898 IonicContact OE2-NH1 2.94Å; E821-R898 IonicContact OE2-NH2 3.76Å; E821-R898 PolarHBondContact OE2-NH2 2.93Å; S830-R898 PolarHBondContact O-NH1 3.21Å; S830-R898 PolarHBondContact OG-NH1 3.48Å; V833-R898 HydrophobicContact CG1-CB 4.19Å; C890-R898 VanDerWaalsContact O-CD 3.29Å; C890-R898 WeakPolarHBondContact O-CD 3.49Å; D892-R898 HydrophobicContact CB-CG 4.1Å; D892-R898 PolarHBondContact O-NE 3.17Å; D892-R898 PolarHBondContact O-NH2 3.18Å; P895-R898 PolarHBondContact O-N 3.27Å
899	P	96.1	Very high	95.1	Very high	21 Å²	21	52.7 Å²	52.7	14%	0.136	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67.2	142.8	180	28.3	-34.4	0	0	0	110.2	A889 V904	A889-P899 HydrophobicContact CB-CG 4.07Å; A889-P899 WeakPolarHBondContact O-CD 3.29Å; P899-V904 HydrophobicContact CB-CG2 3.94Å; P899-V904 HydrophobicContact CG-CG2 3.6Å
900	L	94.4	Very high	95	Very high	123 Å²	123	52.9 Å²	52.9	64%	0.644	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-61.3	142.7	167.1	-63.5	175.2	0	0	0	109.2	G902 I903 V904	L900-G902 PolarHBondContact O-N 2.99Å; L900-I903 WeakPolarHBondContact O-CA 3.44Å; L900-I903 WeakPolarHBondContact O-CB 3.48Å; L900-I903 PolarHBondContact O-N 2.76Å; L900-V904 PolarHBondContact O-N 3.3Å; L900-V904 VanDerWaalsContact O-N 3.15Å
901	L	93.6	Very high	94.9	Very high	9 Å²	9	53 Å²	53	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-22.7	179.6	-67.8	167.5	0	0	0	113.2	V764 I767 R768 V833 I903 V904 Q905	V764-L901 HydrophobicContact CG1-CB 4.31Å; V764-L901 HydrophobicContact CG1-CD2 4.24Å; I767-L901 HydrophobicContact CB-CD1 3.79Å; I767-L901 HydrophobicContact CG2-CD1 3.29Å; R768-L901 HydrophobicContact CG-CB 3.4Å; R768-L901 VanDerWaalsContact CG-CB 3.4Å; R768-L901 HydrophobicContact CG-CD1 4.18Å; R768-L901 HydrophobicContact CG-CG 4.42Å; V833-L901 HydrophobicContact CG2-CD1 4.36Å; V833-L901 HydrophobicContact CG2-CD2 4.13Å; V833-L901 HydrophobicContact CG2-CG 3.93Å; L901-I903 PolarHBondContact O-N 3.31Å; L901-V904 HydrophobicContact CD2-CB 4.38Å; L901-V904 HydrophobicContact CD2-CG2 4.36Å; L901-V904 PolarHBondContact O-N 3.18Å; L901-Q905 PolarHBondContact O-N 3.39Å
902	G	91	Very high	94.8	Very high	35 Å²	35	53.5 Å²	53.5	36%	0.361	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-23.9	170.2	0	0	0	0	0	114.8	L900 P906	L900-G902 PolarHBondContact O-N 2.99Å; G902-P906 WeakPolarHBondContact O-CD 3.4Å; G902-P906 WeakPolarHBondContact O-CG 3.47Å
903	I	94.5	Very high	94.7	Very high	91 Å²	91	53.8 Å²	53.8	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-94.4	-38.4	174.9	-56.6	174.3	0	0	0	110.2	L900 L901 Q905 P906 M907	L900-I903 WeakPolarHBondContact O-CA 3.44Å; L900-I903 WeakPolarHBondContact O-CB 3.48Å; L900-I903 PolarHBondContact O-N 2.76Å; L901-I903 PolarHBondContact O-N 3.31Å; I903-Q905 VanDerWaalsContact C-N 3.35Å; I903-Q905 PolarHBondContact O-N 2.99Å; I903-P906 WeakPolarHBondContact O-CD 3.38Å; I903-P906 VanDerWaalsContact O-CG 3.26Å; I903-P906 WeakPolarHBondContact O-CG 3.34Å; I903-M907 HydrophobicContact CG2-CG 4.44Å; I903-M907 HydrophobicContact CG2-SD 3.88Å; I903-M907 WeakPolarHBondContact O-CG 3.41Å; I903-M907 PolarHBondContact O-N 3.31Å
904	V	96.5	Very high	94.8	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58	-45	177.7	175	0	0	0	0	111.7	V764 F836 L886 P899 L900 L901 M907 L908	V764-V904 HydrophobicContact CG1-CG1 4.45Å; V764-V904 HydrophobicContact CG2-CG1 3.95Å; F836-V904 HydrophobicContact CD1-CG1 4.25Å; F836-V904 HydrophobicContact CE1-CG1 3.65Å; F836-V904 HydrophobicContact CZ-CG1 4.34Å; L886-V904 HydrophobicContact CD1-CG1 4.19Å; L886-V904 HydrophobicContact CD1-CG2 4.38Å; L886-V904 HydrophobicContact CD2-CG1 4.4Å; P899-V904 HydrophobicContact CB-CG2 3.94Å; P899-V904 HydrophobicContact CG-CG2 3.6Å; L900-V904 PolarHBondContact O-N 3.3Å; L900-V904 VanDerWaalsContact O-N 3.15Å; L901-V904 HydrophobicContact CD2-CB 4.38Å; L901-V904 HydrophobicContact CD2-CG2 4.36Å; L901-V904 PolarHBondContact O-N 3.18Å; V904-M907 PolarHBondContact O-N 2.93Å; V904-L908 WeakPolarHBondContact O-CB 3.17Å; V904-L908 PolarHBondContact O-N 3.07Å
905	Q	95.5	Very high	94.8	Very high	54 Å²	54	54.4 Å²	54.4	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-53.8	-177.6	-173	175.4	-8.9	0	0	113.8	L761 V764 R768 L901 I903 M907 L908 Q909	L761-Q905 HydrophobicContact CD2-CG 4.13Å; V764-Q905 HydrophobicContact CG1-CB 3.77Å; V764-Q905 HydrophobicContact CG1-CG 4.39Å; R768-Q905 VanDerWaalsContact CD-OE1 3.27Å; L901-Q905 PolarHBondContact O-N 3.39Å; I903-Q905 VanDerWaalsContact C-N 3.35Å; I903-Q905 PolarHBondContact O-N 2.99Å; Q905-M907 VanDerWaalsContact C-N 3.33Å; Q905-M907 PolarHBondContact O-N 3.4Å; Q905-L908 PolarHBondContact O-N 3.45Å; Q905-Q909 WeakPolarHBondContact O-CB 3.2Å; Q905-Q909 PolarHBondContact O-N 3.38Å
906	P	95.8	Very high	94.4	Very high	76 Å²	76	54.2 Å²	54.2	49%	0.494	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-33.8	178.2	23.5	-33.3	0	0	0	113.1	G902 I903 Q909 G910	G902-P906 WeakPolarHBondContact O-CD 3.4Å; G902-P906 WeakPolarHBondContact O-CG 3.47Å; I903-P906 WeakPolarHBondContact O-CD 3.38Å; I903-P906 VanDerWaalsContact O-CG 3.26Å; I903-P906 WeakPolarHBondContact O-CG 3.34Å; P906-Q909 PolarHBondContact O-N 3.41Å; P906-G910 PolarHBondContact O-N 3.19Å
907	M	96.2	Very high	93.7	Very high	89 Å²	89	53.1 Å²	53.1	44%	0.438	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-49.3	173	-70.4	177.1	70.7	0	0	111.1	L886 I903 V904 Q905 Q909 G910 I911	L886-M907 HydrophobicContact CD1-CB 4.48Å; L886-M907 HydrophobicContact CD1-CE 4.07Å; L886-M907 HydrophobicContact CD1-SD 4.21Å; I903-M907 HydrophobicContact CG2-CG 4.44Å; I903-M907 HydrophobicContact CG2-SD 3.88Å; I903-M907 WeakPolarHBondContact O-CG 3.41Å; I903-M907 PolarHBondContact O-N 3.31Å; V904-M907 PolarHBondContact O-N 2.93Å; Q905-M907 VanDerWaalsContact C-N 3.33Å; Q905-M907 PolarHBondContact O-N 3.4Å; M907-Q909 VanDerWaalsContact C-N 3.32Å; M907-Q909 PolarHBondContact O-N 3Å; M907-G910 PolarHBondContact O-N 3.21Å; M907-I911 WeakPolarHBondContact O-CG1 3.27Å; M907-I911 PolarHBondContact O-N 3.16Å
908	L	96.4	Very high	92	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-37.5	178.7	-178.7	60.3	0	0	0	112.4	L757 A760 L761 V764 F836 F840 L886 V904 Q905 I911 M912	L757-L908 HydrophobicContact CD2-CD1 4.26Å; A760-L908 HydrophobicContact CB-CD1 4.46Å; A760-L908 HydrophobicContact CB-CD2 3.61Å; L761-L908 HydrophobicContact CB-CD2 4.48Å; L761-L908 HydrophobicContact CD2-CB 3.99Å; L761-L908 HydrophobicContact CD2-CD2 3.81Å; L761-L908 HydrophobicContact CD2-CG 3.81Å; L761-L908 HydrophobicContact CG-CD2 3.83Å; L761-L908 HydrophobicContact CG-CG 3.94Å; V764-L908 HydrophobicContact CG2-CD2 4.32Å; F836-L908 HydrophobicContact CZ-CD2 4.21Å; F840-L908 HydrophobicContact CE1-CD1 4.37Å; F840-L908 HydrophobicContact CE2-CD1 3.6Å; F840-L908 HydrophobicContact CZ-CD1 3.45Å; F840-L908 VanDerWaalsContact CZ-CD1 3.45Å; L886-L908 HydrophobicContact CD2-CB 4.11Å; L886-L908 HydrophobicContact CD2-CD1 4.34Å; V904-L908 WeakPolarHBondContact O-CB 3.17Å; V904-L908 PolarHBondContact O-N 3.07Å; Q905-L908 PolarHBondContact O-N 3.45Å; L908-I911 PolarHBondContact O-N 3.37Å; L908-M912 WeakPolarHBondContact O-CB 3.41Å; L908-M912 PolarHBondContact O-N 2.93Å
909	Q	96.1	Very high	89.8	Confident	73 Å²	73	55 Å²	55	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-44.1	173.9	-175.1	66.3	56	0	0	111.2	L761 Q905 P906 M907 I911 M912 D913	L761-Q909 VanDerWaalsContact CD1-OE1 3.3Å; L761-Q909 HydrophobicContact CD2-CB 4.27Å; Q905-Q909 WeakPolarHBondContact O-CB 3.2Å; Q905-Q909 PolarHBondContact O-N 3.38Å; P906-Q909 PolarHBondContact O-N 3.41Å; M907-Q909 VanDerWaalsContact C-N 3.32Å; M907-Q909 PolarHBondContact O-N 3Å; Q909-I911 VanDerWaalsContact C-N 3.35Å; Q909-I911 PolarHBondContact O-N 3.49Å; Q909-M912 VanDerWaalsContact NE2-CE 3.26Å; Q909-M912 PolarHBondContact O-N 3.37Å; Q909-D913 PolarHBondContact NE2-OD1 3.32Å; Q909-D913 WeakPolarHBondContact O-CB 3.23Å; Q909-D913 PolarHBondContact O-N 2.84Å
910	G	95.9	Very high	87.8	Confident	39 Å²	39	58.5 Å²	58.5	40%	0.402	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-42.4	176.1	0	0	0	0	0	112.8	P906 M907 D913 R914	P906-G910 PolarHBondContact O-N 3.19Å; M907-G910 PolarHBondContact O-N 3.21Å; G910-D913 PolarHBondContact O-N 3.42Å; G910-R914 WeakPolarHBondContact O-CB 3.48Å; G910-R914 PolarHBondContact O-N 2.98Å
911	I	95.2	Very high	85.4	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-49	174.1	-68.6	168	0	0	0	110.6	E882 C883 L886 M907 L908 Q909 R914 L915	E882-I911 HydrophobicContact CB-CD1 3.87Å; E882-I911 HydrophobicContact CB-CG1 3.73Å; E882-I911 WeakPolarHBondContact OE2-CG1 3.27Å; C883-I911 WeakPolarHBondContact SG-CG2 3.42Å; L886-I911 HydrophobicContact CB-CD1 4.41Å; L886-I911 HydrophobicContact CD2-CD1 4.04Å; M907-I911 WeakPolarHBondContact O-CG1 3.27Å; M907-I911 PolarHBondContact O-N 3.16Å; L908-I911 PolarHBondContact O-N 3.37Å; Q909-I911 VanDerWaalsContact C-N 3.35Å; Q909-I911 PolarHBondContact O-N 3.49Å; I911-R914 PolarHBondContact O-N 3.5Å; I911-L915 HydrophobicContact CG2-CD1 3.69Å; I911-L915 HydrophobicContact CG2-CG 4.37Å; I911-L915 WeakPolarHBondContact O-CB 3.27Å; I911-L915 WeakPolarHBondContact O-CG 3.13Å; I911-L915 PolarHBondContact O-N 3.42Å
912	M	95.1	Very high	82.8	Confident	18 Å²	18	68.4 Å²	68.4	9%	0.089	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-47.3	-179.7	-173.1	174.5	74.3	0	0	111.7	L757 Q758 L761 L908 Q909 R914 L915 C916	L757-M912 HydrophobicContact CB-CB 4.15Å; L757-M912 HydrophobicContact CB-CG 3.83Å; L757-M912 HydrophobicContact CB-SD 3.9Å; L757-M912 HydrophobicContact CD1-CB 4.16Å; L757-M912 HydrophobicContact CD1-CG 4.16Å; Q758-M912 HydrophobicContact CB-SD 4.29Å; L761-M912 HydrophobicContact CD1-CE 3.35Å; L761-M912 HydrophobicContact CD1-SD 3.68Å; L908-M912 WeakPolarHBondContact O-CB 3.41Å; L908-M912 PolarHBondContact O-N 2.93Å; Q909-M912 VanDerWaalsContact NE2-CE 3.26Å; Q909-M912 PolarHBondContact O-N 3.37Å; M912-R914 VanDerWaalsContact C-N 3.32Å; M912-R914 PolarHBondContact O-N 3.34Å; M912-L915 PolarHBondContact O-N 3.21Å; M912-C916 WeakPolarHBondContact O-CB 3.11Å; M912-C916 PolarHBondContact O-N 3.38Å; M912-C916 PolarHBondContact O-SG 3.36Å
913	D	94	Very high	80.4	Confident	58 Å²	58	71.9 Å²	71.9	31%	0.31	39%	0.388	S	S	.	.	H	α-helix	trans	-56.1	-46.8	176.5	-88.9	37	0	0	0	111.5	Q909 G910 K917	Q909-D913 PolarHBondContact NE2-OD1 3.32Å; Q909-D913 WeakPolarHBondContact O-CB 3.23Å; Q909-D913 PolarHBondContact O-N 2.84Å; G910-D913 PolarHBondContact O-N 3.42Å; D913-K917 HydrophobicContact CB-CD 4.48Å; D913-K917 WeakPolarHBondContact O-CB 3.23Å; D913-K917 WeakPolarHBondContact O-CD 3.49Å; D913-K917 WeakPolarHBondContact O-CG 3.43Å; D913-K917 PolarHBondContact O-N 3.45Å; D913-K917 IonicContact OD2-NZ 3.07Å; D913-K917 PolarHBondContact OD2-NZ 3.01Å
914	R	94.3	Very high	77.9	Confident	87 Å²	87	75.6 Å²	75.6	33%	0.328	41%	0.408	S	S	.	.	H	α-helix	trans	-63	-52.9	179.4	179.7	176.4	57.3	78.5	5.5	111.6	D880 E882 G910 I911 M912 C916 S918	D880-R914 IonicContact OD1-CZ 2.73Å; D880-R914 IonicContact OD1-NH1 3.76Å; D880-R914 IonicContact OD1-NH2 2.97Å; D880-R914 PolarHBondContact OD1-NH2 2.84Å; D880-R914 IonicContact OD2-CZ 3.33Å; D880-R914 IonicContact OD2-NH1 3.53Å; D880-R914 PolarHBondContact OD2-NH1 3.48Å; D880-R914 IonicContact OD2-NH2 3.65Å; D880-R914 PolarHBondContact OD2-NH2 3.25Å; D880-R914 VanDerWaalsContact OD2-NH2 3.09Å; E882-R914 VanDerWaalsContact CD-NH2 3.25Å; E882-R914 IonicContact OE1-CZ 2.83Å; E882-R914 IonicContact OE1-NE 2.75Å; E882-R914 PolarHBondContact OE1-NE 3.02Å; E882-R914 IonicContact OE1-NH2 2.8Å; E882-R914 IonicContact OE2-CZ 3.68Å; E882-R914 VanDerWaalsContact OE2-CZ 3.28Å; E882-R914 IonicContact OE2-NE 2.63Å; E882-R914 PolarHBondContact OE2-NE 2.79Å; E882-R914 IonicContact OE2-NH2 3.35Å; E882-R914 PolarHBondContact OE2-NH2 3.16Å; G910-R914 WeakPolarHBondContact O-CB 3.48Å; G910-R914 PolarHBondContact O-N 2.98Å; I911-R914 PolarHBondContact O-N 3.5Å; M912-R914 VanDerWaalsContact C-N 3.32Å; M912-R914 PolarHBondContact O-N 3.34Å; R914-C916 VanDerWaalsContact C-N 3.35Å; R914-C916 PolarHBondContact O-N 3.46Å; R914-S918 WeakPolarHBondContact O-CB 3.19Å; R914-S918 PolarHBondContact O-N 3.17Å; R914-S918 PolarHBondContact O-OG 3.09Å
915	L	91.5	Very high	75.4	Confident	27 Å²	27	87.8 Å²	87.8	14%	0.141	46%	0.455	C	S	.	.	H	α-helix	trans	-70.1	-29.8	-174.7	-68.6	177.9	0	0	0	113.3	L753 L757 D880 I911 M912 S918	L753-L915 HydrophobicContact CD2-CD1 4.47Å; L757-L915 HydrophobicContact CD1-CB 4.48Å; L757-L915 HydrophobicContact CD1-CD1 4.08Å; D880-L915 HydrophobicContact CB-CD1 4.08Å; D880-L915 HydrophobicContact CB-CD2 4.31Å; I911-L915 HydrophobicContact CG2-CD1 3.69Å; I911-L915 HydrophobicContact CG2-CG 4.37Å; I911-L915 WeakPolarHBondContact O-CB 3.27Å; I911-L915 WeakPolarHBondContact O-CG 3.13Å; I911-L915 PolarHBondContact O-N 3.42Å; M912-L915 PolarHBondContact O-N 3.21Å; L915-S918 PolarHBondContact O-OG 3.28Å; L915-S918 VanDerWaalsContact O-OG 3.13Å
916	C	86.8	Confident	72.7	Confident	32 Å²	32	88 Å²	88	22%	0.216	47%	0.471	C	S	.	.	H	α-helix	trans	-88.6	-34.7	-178.8	-56.7	0	0	0	0	112.2	M912 R914 N919	M912-C916 WeakPolarHBondContact O-CB 3.11Å; M912-C916 PolarHBondContact O-N 3.38Å; M912-C916 PolarHBondContact O-SG 3.36Å; R914-C916 VanDerWaalsContact C-N 3.35Å; R914-C916 PolarHBondContact O-N 3.46Å; C916-N919 PolarHBondContact O-N 3Å
917	K	75.8	Confident	70.5	Confident	125 Å²	125	92.5 Å²	92.5	54%	0.543	49%	0.49	S	S	.	.	H	α-helix	trans	-71.4	-32.2	175.1	-69.6	169.3	179.7	163	0	112.7	D913 N919 S920	D913-K917 HydrophobicContact CB-CD 4.48Å; D913-K917 WeakPolarHBondContact O-CB 3.23Å; D913-K917 WeakPolarHBondContact O-CD 3.49Å; D913-K917 WeakPolarHBondContact O-CG 3.43Å; D913-K917 PolarHBondContact O-N 3.45Å; D913-K917 IonicContact OD2-NZ 3.07Å; D913-K917 PolarHBondContact OD2-NZ 3.01Å; K917-N919 PolarHBondContact O-N 3.34Å; K917-S920 PolarHBondContact O-N 3.17Å; K917-S920 PolarHBondContact O-OG 2.76Å
918	S	59.3	Low	67.8	Low	67 Å²	67	96 Å²	96	47%	0.469	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.8	176.7	52.6	0	0	0	0	113.9	R914 L915	R914-S918 WeakPolarHBondContact O-CB 3.19Å; R914-S918 PolarHBondContact O-N 3.17Å; R914-S918 PolarHBondContact O-OG 3.09Å; L915-S918 PolarHBondContact O-OG 3.28Å; L915-S918 VanDerWaalsContact O-OG 3.13Å
919	N	52.9	Low	65.1	Low	128 Å²	128	103.2 Å²	103.2	68%	0.684	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.2	177.9	-86.7	-8.7	0	0	0	114	C916 K917	C916-N919 PolarHBondContact O-N 3Å; K917-N919 PolarHBondContact O-N 3.34Å
920	S	52.3	Low	62.5	Low	94 Å²	94	105.5 Å²	105.5	66%	0.657	57%	0.573	S	S	*	*	S	Bend	trans	-85.4	-9.2	176.4	45	0	0	0	0	114.5	K917	K917-S920 PolarHBondContact O-N 3.17Å; K917-S920 PolarHBondContact O-OG 2.76Å
921	E	45	Very low	59.8	Low	166 Å²	166	114.1 Å²	114.1	78%	0.776	62%	0.618	S	S	*	*	S	Bend	trans	-109.6	18.1	-175.6	-69	-167.7	160.5	0	0	115.1	P923	E921-P923 WeakPolarHBondContact O-CD 3.28Å
922	Q	39.5	Very low	58	Low	173 Å²	173	119.6 Å²	119.6	81%	0.808	65%	0.648	S	S	*	*			trans	-94.1	98.3	165.6	-76.1	-162.5	-9.7	0	0	111.2
923	P	39.3	Very low	56.1	Low	109 Å²	109	124.9 Å²	124.9	71%	0.708	68%	0.677	S	S	*	*			trans	-72.4	140.9	165.3	31	-32.4	0	0	0	109.6	E921 R925	E921-P923 WeakPolarHBondContact O-CD 3.28Å; P923-R925 PolarHBondContact O-N 2.8Å
924	N	42.2	Very low	54	Low	168 Å²	168	128.7 Å²	128.7	90%	0.898	70%	0.698	S	S	*	*			trans	-25.8	105.3	166.2	-91.6	-17.8	0	0	0	112.9
925	R	45.3	Very low	51.6	Low	257 Å²	257	131.1 Å²	131.1	97%	0.97	72%	0.719	S	S	*	*			trans	-108.5	87.8	154.5	-79.9	-170	178.4	-174.2	0.6	107.5	P923	P923-R925 PolarHBondContact O-N 2.8Å
926	G	38.9	Very low	49.1	Very low	57 Å²	57	137.6 Å²	137.6	59%	0.588	76%	0.755	S	S	*	*			trans	-166.6	108	173.8	0	0	0	0	0	109.6
927	L	47.8	Very low	46.6	Very low	172 Å²	172	144.7 Å²	144.7	90%	0.901	79%	0.791	S	S	*	*			trans	89.5	80.5	167	-54.1	157.5	0	0	0	115.6
928	D	40.7	Very low	44.5	Very low	161 Å²	161	146.1 Å²	146.1	86%	0.861	81%	0.809	S	S	*	*				-152.6	149.3	124.5	-98.5	-21	0	0	0	109.5
929	D	40.2	Very low	43.4	Very low	153 Å²	153	152.2 Å²	152.2	82%	0.818	84%	0.835	S	S	*	*			trans	84.2	86	177.8	-63.6	-17.2	0	0	0	119
930	S	39.9	Very low	42.6	Very low	120 Å²	120	154.2 Å²	154.2	84%	0.839	85%	0.848	S	S	*	*				-155	120.9	126.4	-64.8	0	0	0	0	109.9
931	T	40.1	Very low	41.7	Very low	220 Å²	220	159.6 Å²	159.6	100%	1.35	87%	0.865	S	S	*	*			trans	-35.2	0	158.3	38.6	0	0	0	0	115.6

Retrieved 931 of 931 residues in 266.4 ms (Link to these results)

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