A0A093HKG3_STRCA Loading...

Glutamate receptor

Receptor for glutamate that functions as a ligand-gated ion channel in the central nervous system and plays an important role in excitatory synaptic transmission. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system.

AlphaFold DB , UniProt , Accession A0A093HKG3, Species STRCA (Struthio camelus australis), Gene n/a, Length 902 aa.

						>A0A093HKG3_STRCA|A0A093HKG3
MRIIGRQLVLLFSGFWGLAMGAFPSSVQIGGLFIRNTDQEYTAFRLAIFLHNTSPNASEAPFNLVPHVDNIETANSFAVTNAFCSQYSRGVFAIFGLYDKRSVHTLTSFCSALHISLITPSFPTEGESQFVLQLRPSLRGALLSLLDHYEWNRFVFLYDTDRGYSILQAIMEKAGQNSWQVSAICVENFNDASYRRLLEDLDRRQEKKFVIDCEIERLQNLLEQIVSVGKHVKGYHYIVANLGFKDISLERFMHGGANVTGFQLVDFSTPMVTKLMQRWKKLDQREYPGSETPPKYTSALTYDGVLVMAETFRNLRRQKIDISRRGNAGDCLANPAAPWGQGIDMERTLKQVRIQGLTGNVQFDHYGRRVNYTMDVFELKNTGPRKVGYWNDMDKLVLIQHEPTLGNDTSAIENRTVVVTTILEAPYVMFKKNHDTFEGNDKFEGYCVDLASEIAKHIGIKYKIAIVPDGKYGARDPETKIWNGMVGELVYGKAEIAVAPLTITLVREEVIDFSKPFMSLGISIMIKKPQKSKPGVFSFLDPLAYEIWMCIVFAYIGVSVVLFLVSRFSPYEWHTEEPEDGKEGPSDQPPNEFGIFNSLWFSLGAFMQQGCDISPRSLSGRIVGGVWWFFTLIIISSYTANLAAFLTVERMVSPIESAEDLAKQTEIAYGTLDSGSTKEFFRRSKIAVYEKMWTYMKSAEPSVFTRTTAEGVARVRKSKGKFAFLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGVATPKGSPLRNAVNLAVLKLNEQGLLDKLKNKWWYDKGECGSGGGDSKDKTSALSLSNVAGVFYILVGGLGLAMLVALIEFCYKSRAEAKRMKLTFSEAIRNKARLSITGSVGENGRVLTPDCPKAMHTGTAIRQSSGLAVIASDLP
					

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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	48.3	Very low	49.8	Very low	238 Å²	238	142 Å²	142	100%	1.172	70%	0.698	S	S	*	*				0	52.5	0	-146.8	172.7	-156	0	0	112.2
2	R	50.2	Low	49.6	Very low	244 Å²	244	142.2 Å²	142.2	92%	0.921	69%	0.693	S	S	*	*			trans	-137.5	3.8	-176.7	-108.5	-178.2	-178.5	176.5	0.6	115.7
3	I	49.8	Very low	49.2	Very low	140 Å²	140	136.9 Å²	136.9	72%	0.718	68%	0.679	S	S	*	*	S	Bend	trans	-100.7	-32.8	-178.8	-63.7	174.3	0	0	0	111.5	G5 R6	I3-G5 PolarHBondContact O-N 3.38Å; I3-R6 PolarHBondContact O-N 3.15Å
4	I	50.4	Low	48.8	Very low	121 Å²	121	129.4 Å²	129.4	62%	0.621	65%	0.654	S	S	*	*	H	α-helix	trans	-65.6	-37.2	-178.1	-61.9	169	0	0	0	112.3	R6 Q7 L8	I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 3.4Å; I4-Q7 PolarHBondContact O-N 2.84Å; I4-L8 HydrophobicContact CG2-CD1 4.3Å; I4-L8 PolarHBondContact O-N 3.02Å; I4-L8 VanDerWaalsContact O-N 3.15Å
5	G	46.5	Very low	48.3	Very low	50 Å²	50	131.7 Å²	131.7	52%	0.515	66%	0.659	S	S	.	*	H	α-helix	trans	-65	-27.3	-177.8	0	0	0	0	0	114.7	I3 V9	I3-G5 PolarHBondContact O-N 3.38Å; G5-V9 WeakPolarHBondContact O-CG2 3.34Å; G5-V9 PolarHBondContact O-N 3.28Å
6	R	46.1	Very low	47.7	Very low	209 Å²	209	137.6 Å²	137.6	79%	0.789	67%	0.671	S	S	*	*	H	α-helix	trans	-84.7	-28.1	-177.8	-151.5	173.4	-176	-173.8	-0.3	112.7	I3 I4	I3-R6 PolarHBondContact O-N 3.15Å; I4-R6 VanDerWaalsContact C-N 3.3Å; I4-R6 PolarHBondContact O-N 3.4Å
7	Q	48.9	Very low	47.2	Very low	130 Å²	130	133.1 Å²	133.1	61%	0.607	67%	0.668	S	S	*	*	H	α-helix	trans	-76.1	-36.6	170.8	-75.6	-175.1	-24.2	0	0	112.1	I4 V9 L10 L11	I4-Q7 PolarHBondContact O-N 2.84Å; Q7-V9 PolarHBondContact O-N 3.34Å; Q7-L10 PolarHBondContact O-N 2.64Å; Q7-L11 WeakPolarHBondContact O-CB 3.37Å; Q7-L11 PolarHBondContact O-N 3.08Å
8	L	50.9	Low	46.6	Very low	95 Å²	95	134.3 Å²	134.3	50%	0.497	68%	0.676	S	S	.	*	H	α-helix	trans	-64.4	-38.7	178.6	-126.3	100.1	0	0	0	112.9	I4 L11 F12	I4-L8 HydrophobicContact CG2-CD1 4.3Å; I4-L8 PolarHBondContact O-N 3.02Å; I4-L8 VanDerWaalsContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.18Å; L8-F12 HydrophobicContact CD2-CD2 4.49Å; L8-F12 HydrophobicContact CD2-CE2 4.43Å; L8-F12 PolarHBondContact O-N 3.02Å
9	V	54.8	Low	46.2	Very low	103 Å²	103	131.2 Å²	131.2	62%	0.624	67%	0.673	S	S	*	*	H	α-helix	trans	-69.8	-36.4	177.9	174.2	0	0	0	0	111.9	G5 Q7 S13	G5-V9 WeakPolarHBondContact O-CG2 3.34Å; G5-V9 PolarHBondContact O-N 3.28Å; Q7-V9 PolarHBondContact O-N 3.34Å; V9-S13 PolarHBondContact O-N 2.92Å; V9-S13 PolarHBondContact O-OG 3.02Å
10	L	51.9	Low	45.8	Very low	121 Å²	121	133 Å²	133	63%	0.634	68%	0.681	S	S	*	*	H	α-helix	trans	-70.6	-33.9	173.4	-79.4	165.8	0	0	0	112.6	Q7 S13 G14	Q7-L10 PolarHBondContact O-N 2.64Å; L10-S13 PolarHBondContact O-OG 3.19Å; L10-G14 PolarHBondContact O-N 2.99Å
11	L	50.3	Low	45.5	Very low	111 Å²	111	129.6 Å²	129.6	58%	0.581	68%	0.679	S	S	*	*	H	α-helix	trans	-68.8	-43	172.6	-82.1	161.4	0	0	0	111.7	Q7 L8 G14 F15	Q7-L11 WeakPolarHBondContact O-CB 3.37Å; Q7-L11 PolarHBondContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3.18Å; L11-G14 PolarHBondContact O-N 2.84Å; L11-F15 WeakPolarHBondContact O-CB 3.46Å; L11-F15 PolarHBondContact O-N 3.41Å
12	F	46.6	Very low	45.8	Very low	144 Å²	144	122.1 Å²	122.1	63%	0.632	66%	0.655	S	S	*	*	H	α-helix	trans	-67.8	-39.4	177.6	-101.5	-90.1	0	0	0	113.4	L8 F15 W16	L8-F12 HydrophobicContact CD2-CD2 4.49Å; L8-F12 HydrophobicContact CD2-CE2 4.43Å; L8-F12 PolarHBondContact O-N 3.02Å; F12-F15 PolarHBondContact O-N 2.91Å; F12-W16 PolarHBondContact O-N 2.94Å
13	S	45.3	Very low	46.3	Very low	74 Å²	74	112 Å²	112	52%	0.517	62%	0.618	S	S	.	*	H	α-helix	trans	-70.8	-33.7	174.1	59.9	0	0	0	0	112.4	V9 L10 G17	V9-S13 PolarHBondContact O-N 2.92Å; V9-S13 PolarHBondContact O-OG 3.02Å; L10-S13 PolarHBondContact O-OG 3.19Å; S13-G17 PolarHBondContact O-N 3.46Å; S13-G17 VanDerWaalsContact O-N 3.09Å
14	G	42.5	Very low	47.2	Very low	32 Å²	32	106.7 Å²	106.7	33%	0.33	59%	0.592	S	S	.	*	H	α-helix	trans	-63.4	-44.7	170	0	0	0	0	0	113.2	L10 L11 G17 L18	L10-G14 PolarHBondContact O-N 2.99Å; L11-G14 PolarHBondContact O-N 2.84Å; G14-G17 PolarHBondContact O-N 3.2Å; G14-L18 WeakPolarHBondContact O-CB 3.24Å; G14-L18 WeakPolarHBondContact O-CG 3.44Å; G14-L18 PolarHBondContact O-N 3.21Å; G14-L18 VanDerWaalsContact O-N 3.11Å
15	F	41.5	Very low	48.3	Very low	164 Å²	164	105.5 Å²	105.5	72%	0.719	60%	0.595	S	S	*	*	H	α-helix	trans	-71.2	-33	-175.6	-125.5	-99.4	0	0	0	113.8	L11 F12	L11-F15 WeakPolarHBondContact O-CB 3.46Å; L11-F15 PolarHBondContact O-N 3.41Å; F12-F15 PolarHBondContact O-N 2.91Å
16	W	38.4	Very low	50.1	Low	225 Å²	225	106 Å²	106	85%	0.852	59%	0.59	S	S	*	*	H	α-helix	trans	-79.9	-29.2	171.6	-95.3	0.7	0	0	0	113.4	F12 L18	F12-W16 PolarHBondContact O-N 2.94Å; W16-L18 VanDerWaalsContact C-N 3.31Å; W16-L18 PolarHBondContact O-N 2.95Å
17	G	39.1	Very low	52	Low	61 Å²	61	96 Å²	96	63%	0.629	55%	0.552	S	S	*	*	H	α-helix	trans	-68	-26.4	172.7	0	0	0	0	0	114.3	S13 G14	S13-G17 PolarHBondContact O-N 3.46Å; S13-G17 VanDerWaalsContact O-N 3.09Å; G14-G17 PolarHBondContact O-N 3.2Å
18	L	37.3	Very low	54	Low	155 Å²	155	93.1 Å²	93.1	81%	0.812	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.7	-178.2	-78.6	163.5	0	0	0	114.8	G14 W16	G14-L18 WeakPolarHBondContact O-CB 3.24Å; G14-L18 WeakPolarHBondContact O-CG 3.44Å; G14-L18 PolarHBondContact O-N 3.21Å; G14-L18 VanDerWaalsContact O-N 3.11Å; W16-L18 VanDerWaalsContact C-N 3.31Å; W16-L18 PolarHBondContact O-N 2.95Å
19	A	38.3	Very low	56	Low	75 Å²	75	88.6 Å²	88.6	62%	0.62	52%	0.515	S	S	*	.	S	Bend	trans	-98.2	-7.5	-172.1	0	0	0	0	0	115.1
20	M	38	Very low	57.8	Low	167 Å²	167	83.7 Å²	83.7	82%	0.823	49%	0.486	S	S	*	.	S	Bend	trans	-137.1	102.7	173.5	-70.6	-158.8	171.1	0	0	111.2	A22	M20-A22 PolarHBondContact O-N 3.19Å
21	G	41.3	Very low	59.7	Low	62 Å²	62	78 Å²	78	64%	0.639	46%	0.455	S	S	*	.			trans	-59	116.9	168.2	0	0	0	0	0	110.2	F23	G21-F23 PolarHBondContact O-N 3.13Å; G21-F23 VanDerWaalsContact O-N 3.09Å
22	A	53.3	Low	61.7	Low	82 Å²	82	72.7 Å²	72.7	68%	0.678	43%	0.428	S	S	*	.			trans	-78.1	95.2	-175.3	0	0	0	0	0	110.5	M20	M20-A22 PolarHBondContact O-N 3.19Å
23	F	62	Low	63.7	Low	32 Å²	32	65.9 Å²	65.9	14%	0.14	40%	0.398	C	S	.	.			trans	-56.7	131.7	170.9	-167	-84.5	0	0	0	109.7	G21 V27 F62 F312 L315 R316 I322	G21-F23 PolarHBondContact O-N 3.13Å; G21-F23 VanDerWaalsContact O-N 3.09Å; F23-V27 HydrophobicContact CE1-CG2 4.31Å; F23-F62 AromaticContact CE1-CD1 3.82Å; F23-F62 HydrophobicContact CE1-CD1 3.82Å; F23-F62 HydrophobicContact CE1-CE1 4.46Å; F23-F62 HydrophobicContact CE1-CG 4.28Å; F23-F312 HydrophobicContact CZ-CB 4.3Å; F23-F312 WeakPolarHBondContact CZ-O 3.35Å; F23-L315 HydrophobicContact CE2-CB 4.25Å; F23-R316 HydrophobicContact CB-CG 4.21Å; F23-R316 HydrophobicContact CD1-CB 4.27Å; F23-R316 HydrophobicContact CD1-CG 4.23Å; F23-R316 HydrophobicContact CD2-CB 3.75Å; F23-R316 HydrophobicContact CD2-CG 4.09Å; F23-R316 HydrophobicContact CE1-CB 4.28Å; F23-R316 HydrophobicContact CE2-CB 3.76Å; F23-R316 HydrophobicContact CG-CB 4.01Å; F23-R316 HydrophobicContact CG-CG 3.91Å; F23-R316 HydrophobicContact CZ-CB 4.03Å; F23-I322 HydrophobicContact CD2-CG1 4.3Å; F23-I322 HydrophobicContact CE1-CD1 4.33Å; F23-I322 HydrophobicContact CE2-CD1 3.69Å; F23-I322 HydrophobicContact CE2-CG1 3.86Å; F23-I322 HydrophobicContact CZ-CD1 3.58Å; F23-I322 HydrophobicContact CZ-CG1 4.23Å
24	P	67.9	Low	65.6	Low	28 Å²	28	64.7 Å²	64.7	18%	0.182	39%	0.385	C	S	.	.			trans	-63.3	138.8	-171.8	25	-34.9	0	0	0	112.3	S26 I322	P24-S26 VanDerWaalsContact C-N 3.33Å; P24-I322 HydrophobicContact CG-CD1 4.05Å; P24-I322 HydrophobicContact CG-CG1 3.99Å
25	S	73.7	Confident	67.2	Low	96 Å²	96	70.9 Å²	70.9	67%	0.671	40%	0.399	S	S	*	.	S	Bend	trans	-73.7	-24.7	179.2	52.4	0	0	0	0	113.2	N63	S25-N63 PolarHBondContact O-N 3.46Å
26	S	83.2	Confident	68.7	Low	59 Å²	59	69.9 Å²	69.9	41%	0.413	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.4	171.1	54	0	0	0	0	110.6	P24 N63	P24-S26 VanDerWaalsContact C-N 3.33Å; S26-N63 WeakPolarHBondContact CA-O 3.32Å
27	V	87.1	Confident	70.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.6	-176.8	179.3	0	0	0	0	108.3	F23 I29 F62 N63 L64 V65 F92 F312	F23-V27 HydrophobicContact CE1-CG2 4.31Å; V27-I29 HydrophobicContact CG1-CG2 4.32Å; V27-F62 HydrophobicContact CB-CD2 4.42Å; V27-F62 HydrophobicContact CG2-CB 4.29Å; V27-F62 HydrophobicContact CG2-CD2 3.8Å; V27-F62 HydrophobicContact CG2-CE2 4.49Å; V27-F62 HydrophobicContact CG2-CG 4.04Å; V27-N63 PolarHBondContact N-O 3.43Å; V27-L64 HydrophobicContact CB-CD2 4.21Å; V27-L64 HydrophobicContact CG1-CD2 4.31Å; V27-V65 PolarHBondContact O-N 3.1Å; V27-F92 HydrophobicContact CG1-CD2 3.68Å; V27-F92 HydrophobicContact CG1-CE2 4.33Å; V27-F92 HydrophobicContact CG1-CG 4.48Å; V27-F312 HydrophobicContact CG1-CD1 3.96Å; V27-F312 HydrophobicContact CG1-CD2 3.92Å; V27-F312 HydrophobicContact CG1-CE1 3.65Å; V27-F312 HydrophobicContact CG1-CE2 3.62Å; V27-F312 HydrophobicContact CG1-CG 4.1Å; V27-F312 HydrophobicContact CG1-CZ 3.47Å; V27-F312 VanDerWaalsContact CG1-CZ 3.47Å
28	Q	90	Very high	73	Confident	70 Å²	70	61.5 Å²	61.5	33%	0.327	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.4	178.9	-68.7	175.5	-11.3	0	0	110.7	V65 R89 V91 F92	Q28-V65 WeakPolarHBondContact CA-O 3.49Å; Q28-R89 PolarHBondContact OE1-O 2.84Å; Q28-V91 HydrophobicContact CB-CG1 4.39Å; Q28-F92 WeakPolarHBondContact O-CD2 3.28Å; Q28-F92 PolarHBondContact O-N 3.32Å
29	I	92.8	Very high	75.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.7	176.8	62.2	177.7	0	0	0	110.2	V27 F44 I48 L64 V65 P66 H67 A93 M308 F312	V27-I29 HydrophobicContact CG1-CG2 4.32Å; I29-F44 HydrophobicContact CD1-CZ 4.11Å; I29-I48 HydrophobicContact CD1-CD1 3.95Å; I29-L64 HydrophobicContact CD1-CB 4.37Å; I29-L64 HydrophobicContact CD1-CD2 4.49Å; I29-L64 HydrophobicContact CG2-CD2 4.36Å; I29-V65 PolarHBondContact N-O 3.48Å; I29-P66 HydrophobicContact CG1-CB 4.22Å; I29-P66 CarbonylContact O-C 3.49Å; I29-P66 WeakPolarHBondContact O-CA 3.37Å; I29-H67 PolarHBondContact O-N 3.06Å; I29-A93 WeakPolarHBondContact CA-O 3.25Å; I29-M308 HydrophobicContact CD1-SD 4.27Å; I29-M308 HydrophobicContact CG2-SD 4.48Å; I29-F312 HydrophobicContact CG2-CE2 4.01Å; I29-F312 HydrophobicContact CG2-CZ 4.25Å
30	G	92.9	Very high	77.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	146.1	173.7	0	0	0	0	0	111.5	H67 A93 I94 F95	G30-H67 CarbonylContact C-O 3.56Å; G30-A93 PolarHBondContact N-O 3.37Å; G30-I94 WeakPolarHBondContact O-CA 3.34Å; G30-F95 PolarHBondContact O-N 3.38Å
31	G	92.4	Very high	80.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.1	173.6	0	0	0	0	0	110.8	H67 V68 D69 F95	G31-H67 PolarHBondContact N-O 3.12Å; G31-V68 WeakPolarHBondContact O-CA 3.27Å; G31-D69 PolarHBondContact O-N 2.81Å; G31-F95 CarbonylContact C-O 3.58Å; G31-F95 WeakPolarHBondContact CA-O 3.32Å
32	L	91.8	Very high	82.7	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	106.6	176.4	-60	177.9	0	0	0	109.4	D69 I71 A82 Q86 I94 F95 G96 L97 L106	L32-D69 HydrophobicContact CD2-CB 4.32Å; L32-I71 HydrophobicContact CB-CD1 4.41Å; L32-I71 HydrophobicContact CD2-CD1 4.25Å; L32-A82 HydrophobicContact CD2-CB 3.81Å; L32-Q86 HydrophobicContact CD2-CG 4.34Å; L32-I94 HydrophobicContact CD1-CG2 3.77Å; L32-I94 HydrophobicContact CG-CG2 3.88Å; L32-F95 PolarHBondContact N-O 2.95Å; L32-G96 WeakPolarHBondContact O-CA 3.31Å; L32-L97 PolarHBondContact O-N 2.98Å; L32-L97 VanDerWaalsContact O-N 3.08Å; L32-L106 HydrophobicContact CD1-CD2 4.09Å
33	F	89.6	Confident	84.6	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.3	-177.7	-71	-93	0	0	0	111.6	Y41 F44 V68 D69 I71 F95 L97	F33-Y41 HydrophobicContact CD1-CD2 4.38Å; F33-Y41 HydrophobicContact CD2-CD2 4.1Å; F33-Y41 HydrophobicContact CE1-CD2 4.4Å; F33-Y41 HydrophobicContact CE2-CD2 4.11Å; F33-Y41 HydrophobicContact CG-CD2 4.24Å; F33-Y41 HydrophobicContact CZ-CD2 4.27Å; F33-F44 HydrophobicContact CE1-CB 4.17Å; F33-F44 AromaticContact CE2-CD1 3.84Å; F33-F44 HydrophobicContact CE2-CD1 3.84Å; F33-F44 HydrophobicContact CE2-CE1 4.05Å; F33-F44 HydrophobicContact CE2-CG 4.1Å; F33-F44 HydrophobicContact CE2-CZ 4.49Å; F33-F44 HydrophobicContact CZ-CB 3.61Å; F33-F44 AromaticContact CZ-CD1 3.71Å; F33-F44 HydrophobicContact CZ-CD1 3.71Å; F33-F44 AromaticContact CZ-CD2 3.93Å; F33-F44 HydrophobicContact CZ-CD2 3.93Å; F33-F44 HydrophobicContact CZ-CE1 4.28Å; F33-F44 HydrophobicContact CZ-CE2 4.49Å; F33-F44 AromaticContact CZ-CG 3.5Å; F33-F44 HydrophobicContact CZ-CG 3.5Å; F33-V68 HydrophobicContact CD2-CG1 3.85Å; F33-V68 HydrophobicContact CE2-CG1 4.37Å; F33-D69 PolarHBondContact N-O 3.24Å; F33-I71 PolarHBondContact O-N 3.3Å; F33-F95 HydrophobicContact CE1-CD1 4.24Å; F33-F95 AromaticContact CE1-CE1 3.92Å; F33-F95 HydrophobicContact CE1-CE1 3.92Å; F33-F95 HydrophobicContact CE2-CD1 4.18Å; F33-F95 AromaticContact CZ-CD1 3.61Å; F33-F95 HydrophobicContact CZ-CD1 3.61Å; F33-F95 AromaticContact CZ-CE1 3.73Å; F33-F95 HydrophobicContact CZ-CE1 3.73Å; F33-L97 HydrophobicContact CD1-CD1 4.2Å
34	I	84.2	Confident	86	Confident	48 Å²	48	38.6 Å²	38.6	25%	0.246	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	142.5	176.9	-41.7	-178.2	0	0	0	108.2	N36 T37 I71 T73 L97	I34-N36 PolarHBondContact O-N 2.83Å; I34-T37 HydrophobicContact CB-CG2 3.95Å; I34-T37 HydrophobicContact CD1-CG2 4.35Å; I34-T37 HydrophobicContact CG1-CG2 4.32Å; I34-T37 PolarHBondContact N-OG1 3.5Å; I34-T37 PolarHBondContact O-N 3.45Å; I34-T37 VanDerWaalsContact O-N 3.16Å; I34-T37 PolarHBondContact O-OG1 3.12Å; I34-I71 WeakPolarHBondContact CA-O 3.36Å; I34-T73 HydrophobicContact CD1-CG2 4.39Å; I34-T73 WeakPolarHBondContact CD1-OG1 3.41Å; I34-T73 HydrophobicContact CG1-CG2 3.79Å; I34-T73 WeakPolarHBondContact CG1-OG1 3.44Å; I34-L97 HydrophobicContact CD1-CB 3.93Å; I34-L97 HydrophobicContact CD1-CD1 4.36Å; I34-L97 HydrophobicContact CG1-CB 3.75Å; I34-L97 HydrophobicContact CG1-CD1 4Å; I34-L97 HydrophobicContact CG1-CG 4.49Å
35	R	75.5	Confident	87.1	Confident	162 Å²	162	41.7 Å²	41.7	61%	0.611	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	130	163	-65	178.2	178.2	-175.9	-2.8	108.9	I71	R35-I71 PolarHBondContact N-O 3.41Å; R35-I71 VanDerWaalsContact N-O 3.08Å
36	N	73.6	Confident	87.9	Confident	143 Å²	143	37.2 Å²	37.2	77%	0.765	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	-3.5	-174.6	-43.1	-17	0	0	0	116.9	I34 D38	I34-N36 PolarHBondContact O-N 2.83Å; N36-D38 VanDerWaalsContact C-N 3.28Å; N36-D38 PolarHBondContact O-N 3.35Å
37	T	81.3	Confident	88.3	Confident	26 Å²	26	34.7 Å²	34.7	16%	0.16	16%	0.161	C	C	.	.			trans	-90.4	54.9	172.5	57.7	0	0	0	0	112.5	I34 Q39 E40 Y41 L97	I34-T37 HydrophobicContact CB-CG2 3.95Å; I34-T37 HydrophobicContact CD1-CG2 4.35Å; I34-T37 HydrophobicContact CG1-CG2 4.32Å; I34-T37 PolarHBondContact N-OG1 3.5Å; I34-T37 PolarHBondContact O-N 3.45Å; I34-T37 VanDerWaalsContact O-N 3.16Å; I34-T37 PolarHBondContact O-OG1 3.12Å; T37-Q39 PolarHBondContact O-N 3.49Å; T37-E40 WeakPolarHBondContact CB-OE2 3.37Å; T37-Y41 PolarHBondContact O-N 2.83Å; T37-Y41 VanDerWaalsContact O-N 3.14Å; T37-L97 HydrophobicContact CG2-CD1 4.05Å
38	D	85.8	Confident	88.4	Confident	85 Å²	85	35.2 Å²	35.2	46%	0.455	16%	0.163	S	C	.	.	H	α-helix	trans	-68.2	-33.4	-172.8	-65.5	-25.1	0	0	0	112.8	N36 Y41 T42 P288	N36-D38 VanDerWaalsContact C-N 3.28Å; N36-D38 PolarHBondContact O-N 3.35Å; D38-Y41 PolarHBondContact O-N 3.31Å; D38-T42 WeakPolarHBondContact O-CB 3.18Å; D38-T42 PolarHBondContact O-N 2.68Å; D38-T42 PolarHBondContact O-OG1 3.01Å; D38-P288 HydrophobicContact CB-CB 4.27Å; D38-P288 HydrophobicContact CB-CG 4.24Å
39	Q	88.8	Confident	88.4	Confident	9 Å²	9	36.2 Å²	36.2	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-72.5	-41.1	-179.3	-161.7	-168.3	67.9	0	0	111.8	T37 Y41 T42 A43 W279 G289 T292 P293 K295 S298	T37-Q39 PolarHBondContact O-N 3.49Å; Q39-Y41 VanDerWaalsContact C-N 3.33Å; Q39-T42 WeakPolarHBondContact O-CB 3.25Å; Q39-T42 PolarHBondContact O-N 2.9Å; Q39-A43 PolarHBondContact O-N 3.38Å; Q39-W279 HydrophobicContact CG-CH2 4.15Å; Q39-W279 HydrophobicContact CG-CZ2 3.7Å; Q39-G289 WeakPolarHBondContact CG-O 3.38Å; Q39-G289 PolarHBondContact NE2-O 2.65Å; Q39-G289 VanDerWaalsContact NE2-O 3.17Å; Q39-T292 PolarHBondContact NE2-OG1 2.71Å; Q39-T292 VanDerWaalsContact NE2-OG1 3.11Å; Q39-P293 PolarHBondContact NE2-O 3.44Å; Q39-P293 VanDerWaalsContact NE2-O 3.08Å; Q39-K295 VanDerWaalsContact OE1-CG 3.31Å; Q39-S298 PolarHBondContact OE1-OG 3.49Å
40	E	90.1	Very high	88.1	Confident	12 Å²	12	37.8 Å²	37.8	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-42.9	174	-68.3	75.4	-173.4	0	0	110.6	T37 A43 F44 T297 S298 T301	T37-E40 WeakPolarHBondContact CB-OE2 3.37Å; E40-A43 PolarHBondContact O-N 3.12Å; E40-F44 PolarHBondContact O-N 3.49Å; E40-T297 VanDerWaalsContact OE1-CB 3.3Å; E40-T297 WeakPolarHBondContact OE1-CB 3.47Å; E40-T297 PolarHBondContact OE1-OG1 3.42Å; E40-S298 PolarHBondContact N-OG 3.27Å; E40-T301 WeakPolarHBondContact O-CG2 3.36Å
41	Y	90.8	Very high	87.8	Confident	67 Å²	67	38.7 Å²	38.7	26%	0.263	18%	0.179	S	C	.	.	H	α-helix	trans	-63.6	-43.7	174.7	177.9	-119.3	0	0	0	112.6	F33 T37 D38 Q39 A43 F44 R45 V68	F33-Y41 HydrophobicContact CD1-CD2 4.38Å; F33-Y41 HydrophobicContact CD2-CD2 4.1Å; F33-Y41 HydrophobicContact CE1-CD2 4.4Å; F33-Y41 HydrophobicContact CE2-CD2 4.11Å; F33-Y41 HydrophobicContact CG-CD2 4.24Å; F33-Y41 HydrophobicContact CZ-CD2 4.27Å; T37-Y41 PolarHBondContact O-N 2.83Å; T37-Y41 VanDerWaalsContact O-N 3.14Å; D38-Y41 PolarHBondContact O-N 3.31Å; Q39-Y41 VanDerWaalsContact C-N 3.33Å; Y41-A43 VanDerWaalsContact C-N 3.32Å; Y41-A43 PolarHBondContact O-N 3.34Å; Y41-F44 WeakPolarHBondContact O-CB 3.28Å; Y41-F44 PolarHBondContact O-N 2.85Å; Y41-R45 PolarHBondContact O-N 3.13Å; Y41-V68 HydrophobicContact CD2-CG1 4.2Å; Y41-V68 HydrophobicContact CE2-CB 4.35Å; Y41-V68 HydrophobicContact CE2-CG1 3.67Å; Y41-V68 HydrophobicContact CE2-CG2 3.96Å
42	T	91	Very high	87.6	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-43.3	172	-82.2	0	0	0	0	111.6	D38 Q39 R45 L46 W279 Y287 P288	D38-T42 WeakPolarHBondContact O-CB 3.18Å; D38-T42 PolarHBondContact O-N 2.68Å; D38-T42 PolarHBondContact O-OG1 3.01Å; Q39-T42 WeakPolarHBondContact O-CB 3.25Å; Q39-T42 PolarHBondContact O-N 2.9Å; T42-R45 PolarHBondContact O-N 2.94Å; T42-L46 VanDerWaalsContact O-CB 3.27Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 3.33Å; T42-W279 HydrophobicContact CG2-CH2 3.62Å; T42-W279 HydrophobicContact CG2-CZ2 4.08Å; T42-W279 HydrophobicContact CG2-CZ3 4.13Å; T42-Y287 HydrophobicContact CG2-CD1 3.96Å; T42-Y287 HydrophobicContact CG2-CG 4.32Å; T42-P288 WeakPolarHBondContact CB-O 3.5Å; T42-P288 PolarHBondContact OG1-O 3.01Å
43	A	91.8	Very high	87.2	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-65	-40.3	176.9	0	0	0	0	0	112.7	Q39 E40 Y41 L46 A47 W279 S298	Q39-A43 PolarHBondContact O-N 3.38Å; E40-A43 PolarHBondContact O-N 3.12Å; Y41-A43 VanDerWaalsContact C-N 3.32Å; Y41-A43 PolarHBondContact O-N 3.34Å; A43-L46 PolarHBondContact O-N 2.85Å; A43-A47 WeakPolarHBondContact O-CB 3.45Å; A43-A47 PolarHBondContact O-N 3.2Å; A43-W279 HydrophobicContact CB-CH2 4.05Å; A43-W279 HydrophobicContact CB-CZ3 4.13Å; A43-S298 WeakPolarHBondContact CB-O 3.46Å
44	F	92.6	Very high	86.6	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-51.2	174.8	-179.6	-106	0	0	0	111.9	I29 F33 E40 Y41 L46 A47 I48 P66 V68 F95 T301 V305	I29-F44 HydrophobicContact CD1-CZ 4.11Å; F33-F44 HydrophobicContact CE1-CB 4.17Å; F33-F44 AromaticContact CE2-CD1 3.84Å; F33-F44 HydrophobicContact CE2-CD1 3.84Å; F33-F44 HydrophobicContact CE2-CE1 4.05Å; F33-F44 HydrophobicContact CE2-CG 4.1Å; F33-F44 HydrophobicContact CE2-CZ 4.49Å; F33-F44 HydrophobicContact CZ-CB 3.61Å; F33-F44 AromaticContact CZ-CD1 3.71Å; F33-F44 HydrophobicContact CZ-CD1 3.71Å; F33-F44 AromaticContact CZ-CD2 3.93Å; F33-F44 HydrophobicContact CZ-CD2 3.93Å; F33-F44 HydrophobicContact CZ-CE1 4.28Å; F33-F44 HydrophobicContact CZ-CE2 4.49Å; F33-F44 AromaticContact CZ-CG 3.5Å; F33-F44 HydrophobicContact CZ-CG 3.5Å; E40-F44 PolarHBondContact O-N 3.49Å; Y41-F44 WeakPolarHBondContact O-CB 3.28Å; Y41-F44 PolarHBondContact O-N 2.85Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 3.34Å; F44-A47 PolarHBondContact O-N 3.45Å; F44-I48 HydrophobicContact CD1-CD1 3.91Å; F44-I48 HydrophobicContact CD2-CD1 4.42Å; F44-I48 HydrophobicContact CE1-CD1 3.5Å; F44-I48 HydrophobicContact CE2-CD1 4.05Å; F44-I48 HydrophobicContact CG-CD1 4.36Å; F44-I48 HydrophobicContact CZ-CD1 3.59Å; F44-I48 WeakPolarHBondContact O-CG1 3.22Å; F44-I48 PolarHBondContact O-N 3.32Å; F44-I48 VanDerWaalsContact O-N 3.1Å; F44-P66 HydrophobicContact CE1-CB 3.78Å; F44-P66 HydrophobicContact CZ-CB 4.18Å; F44-V68 HydrophobicContact CE1-CG2 4.32Å; F44-F95 HydrophobicContact CD2-CB 4.48Å; F44-F95 AromaticContact CD2-CD1 3.87Å; F44-F95 HydrophobicContact CD2-CD1 3.87Å; F44-F95 HydrophobicContact CD2-CE1 4.32Å; F44-F95 HydrophobicContact CD2-CG 4.08Å; F44-F95 HydrophobicContact CE2-CB 3.71Å; F44-F95 AromaticContact CE2-CD1 3.92Å; F44-F95 HydrophobicContact CE2-CD1 3.92Å; F44-F95 AromaticContact CE2-CG 3.8Å; F44-F95 HydrophobicContact CE2-CG 3.8Å; F44-F95 HydrophobicContact CZ-CB 4.32Å; F44-T301 HydrophobicContact CB-CG2 3.66Å; F44-T301 HydrophobicContact CD2-CG2 4.35Å; F44-V305 HydrophobicContact CD2-CG2 3.4Å; F44-V305 VanDerWaalsContact CD2-CG2 3.4Å; F44-V305 HydrophobicContact CE2-CG2 3.77Å; F44-V305 HydrophobicContact CG-CG2 4.32Å
45	R	91.1	Very high	85.5	Confident	92 Å²	92	49.6 Å²	49.6	35%	0.347	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-42.4	178.3	-175.9	-179.9	169.6	-167	-1.5	111.6	Y41 T42 I48 F49 E286 Y287	Y41-R45 PolarHBondContact O-N 3.13Å; T42-R45 PolarHBondContact O-N 2.94Å; R45-I48 PolarHBondContact O-N 3.4Å; R45-F49 WeakPolarHBondContact O-CB 3.24Å; R45-F49 PolarHBondContact O-N 2.91Å; R45-E286 IonicContact CZ-OE1 2.74Å; R45-E286 PolarHBondContact NH1-O 3.46Å; R45-E286 IonicContact NH2-OE1 3.96Å; R45-E286 PolarHBondContact NH2-OE1 2.92Å; R45-Y287 HydrophobicContact CB-CE1 4.38Å; R45-Y287 HydrophobicContact CG-CE1 4.01Å
46	L	90.1	Very high	85.3	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-45.1	176.5	-178.4	66.1	0	0	0	111.8	T42 A43 F44 I48 F49 L50 L275 W279 L282	T42-L46 VanDerWaalsContact O-CB 3.27Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 3.33Å; A43-L46 PolarHBondContact O-N 2.85Å; F44-L46 VanDerWaalsContact C-N 3.34Å; F44-L46 PolarHBondContact O-N 3.34Å; L46-I48 PolarHBondContact O-N 2.96Å; L46-F49 PolarHBondContact O-N 3.12Å; L46-L50 HydrophobicContact CD1-CD1 4.45Å; L46-L50 HydrophobicContact CD1-CG 4.38Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.45Å; L46-L50 VanDerWaalsContact O-CG 3.26Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 3.14Å; L46-L275 HydrophobicContact CD2-CD1 4Å; L46-W279 HydrophobicContact CD2-CE3 3.65Å; L46-W279 HydrophobicContact CD2-CZ3 3.81Å; L46-L282 HydrophobicContact CD1-CD1 4.5Å; L46-L282 HydrophobicContact CD1-CD2 4.09Å; L46-L282 HydrophobicContact CD2-CD1 4.13Å
47	A	90.4	Very high	84.7	Confident	7 Å²	7	42.9 Å²	42.9	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-42.5	179.5	0	0	0	0	0	112	A43 F44 L50 H51 Y302 V305	A43-A47 WeakPolarHBondContact O-CB 3.45Å; A43-A47 PolarHBondContact O-N 3.2Å; F44-A47 PolarHBondContact O-N 3.45Å; A47-L50 PolarHBondContact O-N 3.02Å; A47-H51 PolarHBondContact O-N 3.32Å; A47-Y302 HydrophobicContact CB-CD2 3.71Å; A47-Y302 HydrophobicContact CB-CE2 4.07Å; A47-Y302 HydrophobicContact CB-CG 4.15Å; A47-V305 HydrophobicContact CB-CB 3.71Å; A47-V305 HydrophobicContact CB-CG1 3.88Å; A47-V305 HydrophobicContact CB-CG2 3.94Å
48	I	90.6	Very high	83.8	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.051	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-44.1	175	-67.6	173.2	0	0	0	111.2	I29 F44 R45 L46 L50 H51 N52 L64 P66 V305	I29-I48 HydrophobicContact CD1-CD1 3.95Å; F44-I48 HydrophobicContact CD1-CD1 3.91Å; F44-I48 HydrophobicContact CD2-CD1 4.42Å; F44-I48 HydrophobicContact CE1-CD1 3.5Å; F44-I48 HydrophobicContact CE2-CD1 4.05Å; F44-I48 HydrophobicContact CG-CD1 4.36Å; F44-I48 HydrophobicContact CZ-CD1 3.59Å; F44-I48 WeakPolarHBondContact O-CG1 3.22Å; F44-I48 PolarHBondContact O-N 3.32Å; F44-I48 VanDerWaalsContact O-N 3.1Å; R45-I48 PolarHBondContact O-N 3.4Å; L46-I48 PolarHBondContact O-N 2.96Å; I48-L50 VanDerWaalsContact C-N 3.34Å; I48-L50 PolarHBondContact O-N 2.92Å; I48-H51 PolarHBondContact O-N 3.31Å; I48-N52 WeakPolarHBondContact O-CB 3.39Å; I48-N52 PolarHBondContact O-N 2.91Å; I48-L64 HydrophobicContact CG2-CB 4.22Å; I48-P66 HydrophobicContact CD1-CB 3.74Å; I48-P66 HydrophobicContact CD1-CG 3.75Å; I48-V305 HydrophobicContact CG1-CG1 3.75Å; I48-V305 HydrophobicContact CG1-CG2 4.41Å
49	F	88.9	Confident	82.5	Confident	91 Å²	91	46.5 Å²	46.5	40%	0.399	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-44.3	176.1	177.5	-97.1	0	0	0	111.7	R45 L46 H51 T53	R45-F49 WeakPolarHBondContact O-CB 3.24Å; R45-F49 PolarHBondContact O-N 2.91Å; L46-F49 PolarHBondContact O-N 3.12Å; F49-H51 VanDerWaalsContact C-N 3.34Å; F49-H51 PolarHBondContact O-N 3.01Å; F49-T53 HydrophobicContact CD2-CG2 4.08Å; F49-T53 HydrophobicContact CE1-CG2 4.31Å; F49-T53 HydrophobicContact CE2-CG2 3.75Å; F49-T53 HydrophobicContact CG-CG2 4.5Å; F49-T53 HydrophobicContact CZ-CG2 3.88Å; F49-T53 WeakPolarHBondContact O-CB 3.36Å; F49-T53 WeakPolarHBondContact O-CG2 3.49Å; F49-T53 PolarHBondContact O-N 2.8Å; F49-T53 PolarHBondContact O-OG1 3.02Å
50	L	87.3	Confident	81.3	Confident	33 Å²	33	46.9 Å²	46.9	17%	0.173	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-35.3	177.5	-69.2	175	0	0	0	113	L46 A47 I48 S54 L275 Y302	L46-L50 HydrophobicContact CD1-CD1 4.45Å; L46-L50 HydrophobicContact CD1-CG 4.38Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.45Å; L46-L50 VanDerWaalsContact O-CG 3.26Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 3.14Å; A47-L50 PolarHBondContact O-N 3.02Å; I48-L50 VanDerWaalsContact C-N 3.34Å; I48-L50 PolarHBondContact O-N 2.92Å; L50-S54 PolarHBondContact O-N 3.48Å; L50-L275 HydrophobicContact CD1-CD1 4.33Å; L50-Y302 HydrophobicContact CD1-CE2 3.76Å; L50-Y302 WeakPolarHBondContact CD1-OH 3.49Å
51	H	86.9	Confident	80.4	Confident	19 Å²	19	48.1 Å²	48.1	9%	0.088	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-56.7	174.2	-177.9	65.4	0	0	0	111	A47 I48 F49 T53 S54 E59 A60 F62	A47-H51 PolarHBondContact O-N 3.32Å; I48-H51 PolarHBondContact O-N 3.31Å; F49-H51 VanDerWaalsContact C-N 3.34Å; F49-H51 PolarHBondContact O-N 3.01Å; H51-T53 PolarHBondContact O-N 2.96Å; H51-T53 VanDerWaalsContact O-N 3.15Å; H51-S54 PolarHBondContact O-N 3.23Å; H51-S54 VanDerWaalsContact O-N 3.15Å; H51-E59 PolarHBondContact CE1-O 3.38Å; H51-A60 VanDerWaalsContact O-CB 3.22Å; H51-A60 WeakPolarHBondContact O-CB 3.38Å; H51-F62 AromaticContact NE2-CE2 3.54Å
52	N	87.8	Confident	80.1	Confident	52 Å²	52	45.1 Å²	45.1	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-17.5	-176	-67	-8.2	0	0	0	113.5	I48 L64	I48-N52 WeakPolarHBondContact O-CB 3.39Å; I48-N52 PolarHBondContact O-N 2.91Å; N52-L64 PolarHBondContact ND2-O 3.23Å; N52-L64 PolarHBondContact OD1-N 3Å
53	T	83.1	Confident	80	Confident	71 Å²	71	49 Å²	49	44%	0.436	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	6.7	176.9	60.6	0	0	0	0	114.4	F49 H51	F49-T53 HydrophobicContact CD2-CG2 4.08Å; F49-T53 HydrophobicContact CE1-CG2 4.31Å; F49-T53 HydrophobicContact CE2-CG2 3.75Å; F49-T53 HydrophobicContact CG-CG2 4.5Å; F49-T53 HydrophobicContact CZ-CG2 3.88Å; F49-T53 WeakPolarHBondContact O-CB 3.36Å; F49-T53 WeakPolarHBondContact O-CG2 3.49Å; F49-T53 PolarHBondContact O-N 2.8Å; F49-T53 PolarHBondContact O-OG1 3.02Å; H51-T53 PolarHBondContact O-N 2.96Å; H51-T53 VanDerWaalsContact O-N 3.15Å
54	S	77.1	Confident	79.9	Confident	31 Å²	31	49 Å²	49	22%	0.217	28%	0.284	C	S	.	.			trans	-65.8	127	174.9	-174	0	0	0	0	110.5	L50 H51 N56 E59	L50-S54 PolarHBondContact O-N 3.48Å; H51-S54 PolarHBondContact O-N 3.23Å; H51-S54 VanDerWaalsContact O-N 3.15Å; S54-N56 PolarHBondContact O-N 3Å; S54-E59 PolarHBondContact OG-OE2 3.39Å
55	P	61	Low	79.8	Confident	126 Å²	126	51.6 Å²	51.6	82%	0.818	30%	0.3	S	S	*	.	S	Bend	trans	-70.7	-12.6	179	30.2	-36.1	0	0	0	113	A57	P55-A57 PolarHBondContact O-N 3.39Å
56	N	71.1	Confident	79.9	Confident	83 Å²	83	49.6 Å²	49.6	44%	0.444	30%	0.298	S	S	.	.			trans	-83.2	102.7	178.8	-75.8	-11.7	0	0	0	110.2	S54 S58 E59 A60	S54-N56 PolarHBondContact O-N 3Å; N56-S58 PolarHBondContact O-N 3Å; N56-E59 HydrophobicContact CB-CB 3.96Å; N56-E59 HydrophobicContact CB-CG 3.77Å; N56-E59 PolarHBondContact ND2-OE1 2.82Å; N56-E59 WeakPolarHBondContact O-CA 3.43Å; N56-E59 WeakPolarHBondContact O-CB 3.5Å; N56-E59 PolarHBondContact O-N 3.31Å; N56-A60 PolarHBondContact O-N 3.17Å
57	A	60.5	Low	80	Confident	81 Å²	81	51.9 Å²	51.9	67%	0.669	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.3	176.4	0	0	0	0	0	114	P55	P55-A57 PolarHBondContact O-N 3.39Å
58	S	62.1	Low	80	Confident	104 Å²	104	53.6 Å²	53.6	73%	0.727	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.7	172.2	-57.3	0	0	0	0	113.8	N56	N56-S58 PolarHBondContact O-N 3Å
59	E	60.3	Low	80	Confident	82 Å²	82	54.5 Å²	54.5	38%	0.383	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-38.8	178.2	-67.8	172.5	-163.6	0	0	112.1	H51 S54 N56 P61 R313	H51-E59 PolarHBondContact CE1-O 3.38Å; S54-E59 PolarHBondContact OG-OE2 3.39Å; N56-E59 HydrophobicContact CB-CB 3.96Å; N56-E59 HydrophobicContact CB-CG 3.77Å; N56-E59 PolarHBondContact ND2-OE1 2.82Å; N56-E59 WeakPolarHBondContact O-CA 3.43Å; N56-E59 WeakPolarHBondContact O-CB 3.5Å; N56-E59 PolarHBondContact O-N 3.31Å; E59-P61 VanDerWaalsContact O-CD 3.25Å; E59-P61 WeakPolarHBondContact O-CD 3.43Å; E59-R313 PolarHBondContact O-NE 3.47Å; E59-R313 PolarHBondContact O-NH2 3.1Å
60	A	63.6	Low	79.9	Confident	17 Å²	17	54.5 Å²	54.5	14%	0.14	33%	0.328	C	S	.	.			trans	-118.1	69.7	178.5	0	0	0	0	0	112	H51 N56 F62	H51-A60 VanDerWaalsContact O-CB 3.22Å; H51-A60 WeakPolarHBondContact O-CB 3.38Å; N56-A60 PolarHBondContact O-N 3.17Å; A60-F62 VanDerWaalsContact C-N 3.3Å; A60-F62 PolarHBondContact O-N 2.86Å
61	P	70.8	Confident	79.9	Confident	38 Å²	38	53.8 Å²	53.8	25%	0.247	32%	0.324	C	S	.	.	S	Bend	trans	-81.9	-5.5	-176.3	33.8	-35.9	0	0	0	114	E59 R316	E59-P61 VanDerWaalsContact O-CD 3.25Å; E59-P61 WeakPolarHBondContact O-CD 3.43Å; P61-R316 PolarHBondContact O-NH1 2.84Å
62	F	84.6	Confident	79.7	Confident	5 Å²	5	58 Å²	58	2%	0.022	34%	0.343	C	S	.	.	S	Bend	trans	-147.6	161.2	176.4	53.7	-99.1	0	0	0	108.7	F23 V27 H51 A60 L64 F312 R313	F23-F62 AromaticContact CE1-CD1 3.82Å; F23-F62 HydrophobicContact CE1-CD1 3.82Å; F23-F62 HydrophobicContact CE1-CE1 4.46Å; F23-F62 HydrophobicContact CE1-CG 4.28Å; V27-F62 HydrophobicContact CB-CD2 4.42Å; V27-F62 HydrophobicContact CG2-CB 4.29Å; V27-F62 HydrophobicContact CG2-CD2 3.8Å; V27-F62 HydrophobicContact CG2-CE2 4.49Å; V27-F62 HydrophobicContact CG2-CG 4.04Å; H51-F62 AromaticContact NE2-CE2 3.54Å; A60-F62 VanDerWaalsContact C-N 3.3Å; A60-F62 PolarHBondContact O-N 2.86Å; F62-L64 HydrophobicContact CD2-CD2 4.34Å; F62-L64 HydrophobicContact CE2-CD2 3.88Å; F62-L64 HydrophobicContact CE2-CG 4.19Å; F62-F312 HydrophobicContact CE1-CB 3.7Å; F62-F312 HydrophobicContact CE2-CB 3.91Å; F62-F312 HydrophobicContact CE2-CD2 4.5Å; F62-F312 HydrophobicContact CZ-CB 3.35Å; F62-F312 HydrophobicContact CZ-CG 4.41Å; F62-R313 HydrophobicContact CE1-CB 4.5Å
63	N	87.9	Confident	79	Confident	83 Å²	83	55.8 Å²	55.8	44%	0.444	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.9	175.7	-70.1	-23.7	0	0	0	111.6	S25 S26 V27	S25-N63 PolarHBondContact O-N 3.46Å; S26-N63 WeakPolarHBondContact CA-O 3.32Å; V27-N63 PolarHBondContact N-O 3.43Å
64	L	89.5	Confident	78.6	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.7	169.6	-66.9	175.6	0	0	0	110	V27 I29 I48 N52 F62 V305 A309 F312	V27-L64 HydrophobicContact CB-CD2 4.21Å; V27-L64 HydrophobicContact CG1-CD2 4.31Å; I29-L64 HydrophobicContact CD1-CB 4.37Å; I29-L64 HydrophobicContact CD1-CD2 4.49Å; I29-L64 HydrophobicContact CG2-CD2 4.36Å; I48-L64 HydrophobicContact CG2-CB 4.22Å; N52-L64 PolarHBondContact ND2-O 3.23Å; N52-L64 PolarHBondContact OD1-N 3Å; F62-L64 HydrophobicContact CD2-CD2 4.34Å; F62-L64 HydrophobicContact CE2-CD2 3.88Å; F62-L64 HydrophobicContact CE2-CG 4.19Å; L64-V305 HydrophobicContact CD1-CG1 4.11Å; L64-A309 HydrophobicContact CD1-CB 4.41Å; L64-F312 HydrophobicContact CD2-CD2 4.03Å; L64-F312 HydrophobicContact CD2-CE2 4.18Å
65	V	91.4	Very high	79.1	Confident	54 Å²	54	56.6 Å²	56.6	33%	0.327	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	104.2	179	-178.7	0	0	0	0	109.1	V27 Q28 I29	V27-V65 PolarHBondContact O-N 3.1Å; Q28-V65 WeakPolarHBondContact CA-O 3.49Å; I29-V65 PolarHBondContact N-O 3.48Å
66	P	92.8	Very high	80.5	Confident	50 Å²	50	52.3 Å²	52.3	33%	0.325	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.3	-178.6	31.2	-33.4	0	0	0	112.5	I29 F44 I48 V68	I29-P66 HydrophobicContact CG1-CB 4.22Å; I29-P66 CarbonylContact O-C 3.49Å; I29-P66 WeakPolarHBondContact O-CA 3.37Å; F44-P66 HydrophobicContact CE1-CB 3.78Å; F44-P66 HydrophobicContact CZ-CB 4.18Å; I48-P66 HydrophobicContact CD1-CB 3.74Å; I48-P66 HydrophobicContact CD1-CG 3.75Å; P66-V68 HydrophobicContact CB-CG2 4.15Å
67	H	92.6	Very high	81.4	Confident	51 Å²	51	55.9 Å²	55.9	24%	0.236	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	106	165.6	-68.4	-59.1	0	0	0	109	I29 G30 G31 Q86	I29-H67 PolarHBondContact O-N 3.06Å; G30-H67 CarbonylContact C-O 3.56Å; G31-H67 PolarHBondContact N-O 3.12Å; H67-Q86 PolarHBondContact O-NE2 3.16Å; H67-Q86 PolarHBondContact O-OE1 3.48Å
68	V	91	Very high	82.8	Confident	42 Å²	42	53.4 Å²	53.4	26%	0.255	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.4	-170	-174.7	0	0	0	0	110.3	G31 F33 Y41 F44 P66	G31-V68 WeakPolarHBondContact O-CA 3.27Å; F33-V68 HydrophobicContact CD2-CG1 3.85Å; F33-V68 HydrophobicContact CE2-CG1 4.37Å; Y41-V68 HydrophobicContact CD2-CG1 4.2Å; Y41-V68 HydrophobicContact CE2-CB 4.35Å; Y41-V68 HydrophobicContact CE2-CG1 3.67Å; Y41-V68 HydrophobicContact CE2-CG2 3.96Å; F44-V68 HydrophobicContact CE1-CG2 4.32Å; P66-V68 HydrophobicContact CB-CG2 4.15Å
69	D	89.9	Confident	84.2	Confident	30 Å²	30	48.5 Å²	48.5	16%	0.16	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.1	170.2	-63.9	-40.3	0	0	0	109.5	G31 L32 F33 I71 A82 Q86 R89	G31-D69 PolarHBondContact O-N 2.81Å; L32-D69 HydrophobicContact CD2-CB 4.32Å; F33-D69 PolarHBondContact N-O 3.24Å; D69-I71 HydrophobicContact CB-CG2 4.35Å; D69-A82 HydrophobicContact CB-CB 4.31Å; D69-Q86 PolarHBondContact OD2-NE2 2.72Å; D69-R89 IonicContact OD1-NH2 3.72Å
70	N	87.4	Confident	85.6	Confident	90 Å²	90	46.1 Å²	46.1	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106	179	-72.5	-6.9	0	0	0	110.3
71	I	87.2	Confident	87	Confident	19 Å²	19	50.3 Å²	50.3	10%	0.097	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	169.1	-168.5	59.3	171.5	0	0	0	112.9	L32 F33 I34 R35 D69 T73 V79 A82	L32-I71 HydrophobicContact CB-CD1 4.41Å; L32-I71 HydrophobicContact CD2-CD1 4.25Å; F33-I71 PolarHBondContact O-N 3.3Å; I34-I71 WeakPolarHBondContact CA-O 3.36Å; R35-I71 PolarHBondContact N-O 3.41Å; R35-I71 VanDerWaalsContact N-O 3.08Å; D69-I71 HydrophobicContact CB-CG2 4.35Å; I71-T73 HydrophobicContact CD1-CG2 4.26Å; I71-T73 HydrophobicContact CG1-CG2 4.2Å; I71-V79 HydrophobicContact CD1-CB 4.34Å; I71-V79 HydrophobicContact CD1-CG2 3.85Å; I71-A82 HydrophobicContact CD1-CB 4.15Å; I71-A82 HydrophobicContact CG2-CB 3.82Å
72	E	82.5	Confident	88	Confident	106 Å²	106	49 Å²	49	50%	0.495	27%	0.271	S	S	.	.			trans	-99.3	101.3	170.6	-173.4	177.2	176.6	0	0	108.5	A74 N75	E72-A74 PolarHBondContact O-N 3.3Å; E72-N75 PolarHBondContact O-N 3.44Å; E72-N75 VanDerWaalsContact O-N 3.09Å
73	T	71.9	Confident	88.3	Confident	6 Å²	6	48.8 Å²	48.8	4%	0.037	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14	-172.8	46.4	0	0	0	0	114.4	I34 I71 N75 V79 L97 S102	I34-T73 HydrophobicContact CD1-CG2 4.39Å; I34-T73 WeakPolarHBondContact CD1-OG1 3.41Å; I34-T73 HydrophobicContact CG1-CG2 3.79Å; I34-T73 WeakPolarHBondContact CG1-OG1 3.44Å; I71-T73 HydrophobicContact CD1-CG2 4.26Å; I71-T73 HydrophobicContact CG1-CG2 4.2Å; T73-N75 PolarHBondContact O-N 3.25Å; T73-V79 HydrophobicContact CG2-CG2 4.38Å; T73-L97 WeakPolarHBondContact CG2-O 3.27Å; T73-S102 WeakPolarHBondContact O-CB 3.3Å; T73-S102 PolarHBondContact O-OG 2.88Å
74	A	76.6	Confident	88.5	Confident	45 Å²	45	45.6 Å²	45.6	37%	0.372	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.3	169.5	0	0	0	0	0	112.6	E72	E72-A74 PolarHBondContact O-N 3.3Å
75	N	87.3	Confident	88.6	Confident	75 Å²	75	46.9 Å²	46.9	40%	0.401	26%	0.263	S	S	.	.			trans	-102.7	98.4	178.6	-175.8	-12.4	0	0	0	111.1	E72 T73 F77 A78 V79	E72-N75 PolarHBondContact O-N 3.44Å; E72-N75 VanDerWaalsContact O-N 3.09Å; T73-N75 PolarHBondContact O-N 3.25Å; N75-F77 PolarHBondContact O-N 3.33Å; N75-F77 VanDerWaalsContact O-N 3.1Å; N75-F77 WeakPolarHBondContact OD1-CB 3.29Å; N75-F77 PolarHBondContact OD1-N 3.49Å; N75-F77 VanDerWaalsContact OD1-N 3.09Å; N75-A78 HydrophobicContact CB-CB 4.17Å; N75-A78 WeakPolarHBondContact O-CB 3.44Å; N75-A78 PolarHBondContact O-N 3.01Å; N75-V79 PolarHBondContact O-N 3.36Å; N75-V79 VanDerWaalsContact O-N 3.16Å
76	S	89.1	Confident	88.5	Confident	36 Å²	36	44.3 Å²	44.3	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-59.7	-23.4	-178.2	-46.3	0	0	0	0	114.1	T80 R101	S76-T80 WeakPolarHBondContact O-CB 3.17Å; S76-T80 PolarHBondContact O-N 2.78Å; S76-T80 PolarHBondContact O-OG1 2.74Å; S76-R101 PolarHBondContact OG-O 2.92Å
77	F	90.1	Very high	88.4	Confident	158 Å²	158	42.3 Å²	42.3	69%	0.693	23%	0.234	S	C	*	.	H	α-helix	trans	-71.6	-41.6	173.2	-179.8	-98	0	0	0	112	N75 V79 T80 N81	N75-F77 PolarHBondContact O-N 3.33Å; N75-F77 VanDerWaalsContact O-N 3.1Å; N75-F77 WeakPolarHBondContact OD1-CB 3.29Å; N75-F77 PolarHBondContact OD1-N 3.49Å; N75-F77 VanDerWaalsContact OD1-N 3.09Å; F77-V79 VanDerWaalsContact C-N 3.33Å; F77-V79 PolarHBondContact O-N 3.49Å; F77-T80 WeakPolarHBondContact O-CB 3.24Å; F77-T80 PolarHBondContact O-N 3.48Å; F77-N81 PolarHBondContact O-N 3.19Å
78	A	89.8	Confident	88.2	Confident	28 Å²	28	42.8 Å²	42.8	23%	0.231	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-41	175	0	0	0	0	0	111.3	N75 N81 A82	N75-A78 HydrophobicContact CB-CB 4.17Å; N75-A78 WeakPolarHBondContact O-CB 3.44Å; N75-A78 PolarHBondContact O-N 3.01Å; A78-N81 PolarHBondContact O-N 2.93Å; A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 2.89Å
79	V	91.2	Very high	88.1	Confident	1 Å²	1	46 Å²	46	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-43.5	173.2	178.1	0	0	0	0	111.5	I71 T73 N75 F77 A82 F83 L106	I71-V79 HydrophobicContact CD1-CB 4.34Å; I71-V79 HydrophobicContact CD1-CG2 3.85Å; T73-V79 HydrophobicContact CG2-CG2 4.38Å; N75-V79 PolarHBondContact O-N 3.36Å; N75-V79 VanDerWaalsContact O-N 3.16Å; F77-V79 VanDerWaalsContact C-N 3.33Å; F77-V79 PolarHBondContact O-N 3.49Å; V79-A82 PolarHBondContact O-N 3.46Å; V79-F83 WeakPolarHBondContact O-CB 3.34Å; V79-F83 PolarHBondContact O-N 2.87Å; V79-L106 HydrophobicContact CG1-CD1 3.73Å; V79-L106 HydrophobicContact CG1-CD2 3.69Å; V79-L106 HydrophobicContact CG1-CG 3.55Å
80	T	91.6	Very high	87.9	Confident	32 Å²	32	45.1 Å²	45.1	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-50.4	176.8	-59.5	0	0	0	0	111.4	S76 F77 A82 F83 C84 T105 F109	S76-T80 WeakPolarHBondContact O-CB 3.17Å; S76-T80 PolarHBondContact O-N 2.78Å; S76-T80 PolarHBondContact O-OG1 2.74Å; F77-T80 WeakPolarHBondContact O-CB 3.24Å; F77-T80 PolarHBondContact O-N 3.48Å; T80-A82 PolarHBondContact O-N 3.14Å; T80-F83 PolarHBondContact O-N 3.41Å; T80-C84 WeakPolarHBondContact O-CB 3.39Å; T80-C84 PolarHBondContact O-N 3.26Å; T80-C84 PolarHBondContact O-SG 3.38Å; T80-T105 WeakPolarHBondContact OG1-CG2 3.15Å; T80-F109 HydrophobicContact CG2-CE2 3.68Å; T80-F109 HydrophobicContact CG2-CZ 3.67Å
81	N	91.6	Very high	88	Confident	106 Å²	106	40.9 Å²	40.9	57%	0.567	23%	0.225	S	C	*	.	H	α-helix	trans	-61.7	-42.8	-179.8	-171.1	17.9	0	0	0	112.1	F77 A78 C84 S85	F77-N81 PolarHBondContact O-N 3.19Å; A78-N81 PolarHBondContact O-N 2.93Å; N81-C84 PolarHBondContact O-N 3.32Å; N81-S85 WeakPolarHBondContact O-CB 3.19Å; N81-S85 PolarHBondContact O-N 3.01Å
82	A	91.2	Very high	88.1	Confident	9 Å²	9	40.8 Å²	40.8	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-42.4	175.9	0	0	0	0	0	112.3	L32 D69 I71 A78 V79 T80 C84 S85 Q86	L32-A82 HydrophobicContact CD2-CB 3.81Å; D69-A82 HydrophobicContact CB-CB 4.31Å; I71-A82 HydrophobicContact CD1-CB 4.15Å; I71-A82 HydrophobicContact CG2-CB 3.82Å; A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 2.89Å; V79-A82 PolarHBondContact O-N 3.46Å; T80-A82 PolarHBondContact O-N 3.14Å; A82-C84 VanDerWaalsContact C-N 3.33Å; A82-C84 PolarHBondContact O-N 2.99Å; A82-S85 WeakPolarHBondContact O-CB 3.41Å; A82-S85 PolarHBondContact O-N 3.39Å; A82-Q86 VanDerWaalsContact O-CG 3.29Å; A82-Q86 WeakPolarHBondContact O-CG 3.33Å; A82-Q86 PolarHBondContact O-N 2.84Å
83	F	92.3	Very high	88.6	Confident	1 Å²	1	35.7 Å²	35.7	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-44.6	174.1	-174.2	-78.8	0	0	0	111.6	V79 T80 Q86 Y87 I94 L106 F109 L113 I115	V79-F83 WeakPolarHBondContact O-CB 3.34Å; V79-F83 PolarHBondContact O-N 2.87Å; T80-F83 PolarHBondContact O-N 3.41Å; F83-Q86 PolarHBondContact O-N 3.32Å; F83-Y87 WeakPolarHBondContact O-CB 3.33Å; F83-Y87 PolarHBondContact O-N 3.43Å; F83-I94 HydrophobicContact CD2-CD1 3.78Å; F83-I94 HydrophobicContact CE2-CD1 3.66Å; F83-I94 HydrophobicContact CZ-CD1 4.32Å; F83-L106 HydrophobicContact CD2-CD2 3.76Å; F83-L106 HydrophobicContact CE2-CD2 4.46Å; F83-F109 HydrophobicContact CD1-CB 4.03Å; F83-F109 HydrophobicContact CD1-CD1 4.4Å; F83-F109 HydrophobicContact CD1-CG 4.21Å; F83-F109 HydrophobicContact CD2-CB 4.41Å; F83-F109 HydrophobicContact CE1-CB 3.74Å; F83-F109 HydrophobicContact CE1-CD1 4.37Å; F83-F109 HydrophobicContact CE1-CG 4.27Å; F83-F109 HydrophobicContact CE2-CB 4.08Å; F83-F109 HydrophobicContact CG-CB 4.37Å; F83-F109 HydrophobicContact CZ-CB 3.73Å; F83-L113 HydrophobicContact CE1-CD1 3.7Å; F83-L113 HydrophobicContact CZ-CD1 4.46Å; F83-I115 HydrophobicContact CE1-CD1 3.89Å; F83-I115 HydrophobicContact CE2-CD1 4.49Å; F83-I115 HydrophobicContact CZ-CB 4.37Å; F83-I115 HydrophobicContact CZ-CD1 3.59Å; F83-I115 HydrophobicContact CZ-CG1 4.37Å
84	C	91.1	Very high	89.7	Confident	17 Å²	17	35.4 Å²	35.4	12%	0.115	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-39.4	177.1	-66	0	0	0	0	113.2	T80 N81 A82 Y87 S88 C331	T80-C84 WeakPolarHBondContact O-CB 3.39Å; T80-C84 PolarHBondContact O-N 3.26Å; T80-C84 PolarHBondContact O-SG 3.38Å; N81-C84 PolarHBondContact O-N 3.32Å; A82-C84 VanDerWaalsContact C-N 3.33Å; A82-C84 PolarHBondContact O-N 2.99Å; C84-Y87 PolarHBondContact O-N 3.27Å; C84-S88 WeakPolarHBondContact O-CB 3.07Å; C84-S88 PolarHBondContact O-N 2.91Å; C84-S88 PolarHBondContact O-OG 3.34Å; C84-C331 HydrophobicContact CB-CB 3.79Å; C84-C331 WeakPolarHBondContact CB-SG 3.26Å; C84-C331 WeakPolarHBondContact SG-CB 3.46Å; C84-C331 CovalentContact SG-SG 2.02Å; C84-C331 PolarHBondContact SG-SG 3.21Å
85	S	91.8	Very high	90.5	Very high	29 Å²	29	33.3 Å²	33.3	20%	0.203	18%	0.181	C	C	.	.	H	α-helix	trans	-56	-47.8	168.6	161	0	0	0	0	111.3	N81 A82 S88 R89	N81-S85 WeakPolarHBondContact O-CB 3.19Å; N81-S85 PolarHBondContact O-N 3.01Å; A82-S85 WeakPolarHBondContact O-CB 3.41Å; A82-S85 PolarHBondContact O-N 3.39Å; S85-S88 PolarHBondContact O-OG 2.97Å; S85-R89 WeakPolarHBondContact O-CG 3.49Å; S85-R89 PolarHBondContact O-N 3.36Å; S85-R89 VanDerWaalsContact O-N 3.15Å; S85-R89 PolarHBondContact OG-NE 3.01Å; S85-R89 PolarHBondContact OG-NH2 3.15Å
86	Q	90.6	Very high	90.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.5	-40.9	178.8	-66	-68	-21.6	0	0	112.5	L32 H67 D69 A82 F83 R89 G90 V91 I94	L32-Q86 HydrophobicContact CD2-CG 4.34Å; H67-Q86 PolarHBondContact O-NE2 3.16Å; H67-Q86 PolarHBondContact O-OE1 3.48Å; D69-Q86 PolarHBondContact OD2-NE2 2.72Å; A82-Q86 VanDerWaalsContact O-CG 3.29Å; A82-Q86 WeakPolarHBondContact O-CG 3.33Å; A82-Q86 PolarHBondContact O-N 2.84Å; F83-Q86 PolarHBondContact O-N 3.32Å; Q86-R89 PolarHBondContact O-N 3.43Å; Q86-G90 PolarHBondContact O-N 2.59Å; Q86-V91 HydrophobicContact CB-CG2 4.07Å; Q86-V91 WeakPolarHBondContact O-CG2 3.43Å; Q86-V91 PolarHBondContact O-N 3.29Å; Q86-I94 HydrophobicContact CB-CD1 4.18Å
87	Y	89.9	Confident	90.7	Very high	8 Å²	8	28.5 Å²	28.5	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-51.2	176.6	179	-116.6	0	0	0	111.8	F83 C84 R89 G90 L113 I115 A328 C331 A337	F83-Y87 WeakPolarHBondContact O-CB 3.33Å; F83-Y87 PolarHBondContact O-N 3.43Å; C84-Y87 PolarHBondContact O-N 3.27Å; Y87-R89 VanDerWaalsContact C-N 3.29Å; Y87-R89 PolarHBondContact O-N 2.84Å; Y87-G90 WeakPolarHBondContact O-CA 3.43Å; Y87-G90 PolarHBondContact O-N 2.84Å; Y87-L113 HydrophobicContact CE1-CD2 4.29Å; Y87-L113 HydrophobicContact CE2-CB 4.36Å; Y87-L113 HydrophobicContact CE2-CD2 4.36Å; Y87-I115 HydrophobicContact CD2-CD1 3.39Å; Y87-I115 HydrophobicContact CD2-CG1 4.31Å; Y87-I115 HydrophobicContact CE2-CD1 4.09Å; Y87-I115 HydrophobicContact CG-CD1 4.18Å; Y87-A328 HydrophobicContact CD1-CB 4.18Å; Y87-A328 HydrophobicContact CD2-CB 4.1Å; Y87-A328 HydrophobicContact CE1-CB 3.99Å; Y87-A328 HydrophobicContact CE2-CB 3.96Å; Y87-A328 HydrophobicContact CG-CB 4.27Å; Y87-A328 WeakPolarHBondContact O-CB 3.13Å; Y87-A328 PolarHBondContact OH-O 3.09Å; Y87-C331 HydrophobicContact CD1-CB 3.96Å; Y87-A337 PolarHBondContact OH-O 3.5Å; Y87-A337 VanDerWaalsContact OH-O 3.05Å
88	S	88	Confident	90.6	Very high	60 Å²	60	21.2 Å²	21.2	42%	0.42	12%	0.12	S	C	.	.	H	α-helix	trans	-61.1	-34.2	179.9	60.4	0	0	0	0	113	C84 S85 G90	C84-S88 WeakPolarHBondContact O-CB 3.07Å; C84-S88 PolarHBondContact O-N 2.91Å; C84-S88 PolarHBondContact O-OG 3.34Å; S85-S88 PolarHBondContact O-OG 2.97Å; S88-G90 PolarHBondContact O-N 3.41Å
89	R	88.1	Confident	90.5	Very high	111 Å²	111	21.3 Å²	21.3	42%	0.419	12%	0.117	S	C	.	.	H	α-helix	trans	-65.5	-19	171.4	-71.9	174.2	-160.5	-164.6	14.5	113.8	Q28 D69 S85 Q86 Y87	Q28-R89 PolarHBondContact OE1-O 2.84Å; D69-R89 IonicContact OD1-NH2 3.72Å; S85-R89 WeakPolarHBondContact O-CG 3.49Å; S85-R89 PolarHBondContact O-N 3.36Å; S85-R89 VanDerWaalsContact O-N 3.15Å; S85-R89 PolarHBondContact OG-NE 3.01Å; S85-R89 PolarHBondContact OG-NH2 3.15Å; Q86-R89 PolarHBondContact O-N 3.43Å; Y87-R89 VanDerWaalsContact C-N 3.29Å; Y87-R89 PolarHBondContact O-N 2.84Å
90	G	86.8	Confident	90.1	Very high	11 Å²	11	23.9 Å²	23.9	11%	0.113	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	17.3	174	0	0	0	0	0	115.8	Q86 Y87 S88	Q86-G90 PolarHBondContact O-N 2.59Å; Y87-G90 WeakPolarHBondContact O-CA 3.43Å; Y87-G90 PolarHBondContact O-N 2.84Å; S88-G90 PolarHBondContact O-N 3.41Å
91	V	90.3	Very high	89.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.			trans	-61.2	144.8	-174.6	-54.3	0	0	0	0	113.4	Q28 Q86 I94 R324	Q28-V91 HydrophobicContact CB-CG1 4.39Å; Q86-V91 HydrophobicContact CB-CG2 4.07Å; Q86-V91 WeakPolarHBondContact O-CG2 3.43Å; Q86-V91 PolarHBondContact O-N 3.29Å; V91-I94 HydrophobicContact CG2-CD1 4.39Å; V91-I94 HydrophobicContact CG2-CG1 3.84Å; V91-R324 PolarHBondContact O-NH2 2.86Å
92	F	89.6	Confident	89.6	Confident	17 Å²	17	24.9 Å²	24.9	8%	0.075	12%	0.12	C	C	.	.	S	Bend	trans	-84.5	-30.2	-176.2	-60	-68.4	0	0	0	113.6	V27 Q28 F312 I322 R324 W339	V27-F92 HydrophobicContact CG1-CD2 3.68Å; V27-F92 HydrophobicContact CG1-CE2 4.33Å; V27-F92 HydrophobicContact CG1-CG 4.48Å; Q28-F92 WeakPolarHBondContact O-CD2 3.28Å; Q28-F92 PolarHBondContact O-N 3.32Å; F92-F312 HydrophobicContact CB-CE1 3.96Å; F92-F312 HydrophobicContact CB-CZ 3.99Å; F92-I322 VanDerWaalsContact CE1-O 3.24Å; F92-I322 WeakPolarHBondContact CE1-O 3.41Å; F92-R324 HydrophobicContact CE1-CG 4.22Å; F92-W339 HydrophobicContact CB-CH2 4.11Å; F92-W339 AromaticContact CD1-CH2 3.71Å; F92-W339 HydrophobicContact CD1-CH2 3.71Å; F92-W339 AromaticContact CD1-CZ2 3.72Å; F92-W339 HydrophobicContact CD1-CZ2 3.72Å; F92-W339 HydrophobicContact CE1-CZ2 4.32Å; F92-W339 HydrophobicContact CG-CH2 4.41Å; F92-W339 VanDerWaalsContact O-CZ3 3.24Å; F92-W339 WeakPolarHBondContact O-CZ3 3Å
93	A	92.2	Very high	89.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.6	174.1	0	0	0	0	0	109.6	I29 G30 I118 M308 F312 M345	I29-A93 WeakPolarHBondContact CA-O 3.25Å; G30-A93 PolarHBondContact N-O 3.37Å; A93-I118 HydrophobicContact CB-CD1 4.31Å; A93-M308 HydrophobicContact CB-CE 4.18Å; A93-F312 HydrophobicContact CB-CZ 4.41Å; A93-M345 HydrophobicContact CB-CE 3.91Å
94	I	94.3	Very high	89.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125	176.2	-63.1	174.3	0	0	0	108.2	G30 L32 F83 Q86 V91 I115 S116 L117 I118	G30-I94 WeakPolarHBondContact O-CA 3.34Å; L32-I94 HydrophobicContact CD1-CG2 3.77Å; L32-I94 HydrophobicContact CG-CG2 3.88Å; F83-I94 HydrophobicContact CD2-CD1 3.78Å; F83-I94 HydrophobicContact CE2-CD1 3.66Å; F83-I94 HydrophobicContact CZ-CD1 4.32Å; Q86-I94 HydrophobicContact CB-CD1 4.18Å; V91-I94 HydrophobicContact CG2-CD1 4.39Å; V91-I94 HydrophobicContact CG2-CG1 3.84Å; I94-I115 HydrophobicContact CD1-CG2 4.05Å; I94-I115 HydrophobicContact CG1-CG2 4.08Å; I94-S116 PolarHBondContact N-O 2.85Å; I94-L117 HydrophobicContact CB-CD1 4.38Å; I94-L117 HydrophobicContact CG2-CD1 3.98Å; I94-L117 CarbonylContact O-C 3.55Å; I94-L117 WeakPolarHBondContact O-CA 3.27Å; I94-I118 PolarHBondContact O-N 3.34Å
95	F	94.8	Very high	89.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.5	160.9	-175.6	-94.9	0	0	0	107.8	G30 G31 L32 F33 F44 I118 P120 L134 T301 M308	G30-F95 PolarHBondContact O-N 3.38Å; G31-F95 CarbonylContact C-O 3.58Å; G31-F95 WeakPolarHBondContact CA-O 3.32Å; L32-F95 PolarHBondContact N-O 2.95Å; F33-F95 HydrophobicContact CE1-CD1 4.24Å; F33-F95 AromaticContact CE1-CE1 3.92Å; F33-F95 HydrophobicContact CE1-CE1 3.92Å; F33-F95 HydrophobicContact CE2-CD1 4.18Å; F33-F95 AromaticContact CZ-CD1 3.61Å; F33-F95 HydrophobicContact CZ-CD1 3.61Å; F33-F95 AromaticContact CZ-CE1 3.73Å; F33-F95 HydrophobicContact CZ-CE1 3.73Å; F44-F95 HydrophobicContact CD2-CB 4.48Å; F44-F95 AromaticContact CD2-CD1 3.87Å; F44-F95 HydrophobicContact CD2-CD1 3.87Å; F44-F95 HydrophobicContact CD2-CE1 4.32Å; F44-F95 HydrophobicContact CD2-CG 4.08Å; F44-F95 HydrophobicContact CE2-CB 3.71Å; F44-F95 AromaticContact CE2-CD1 3.92Å; F44-F95 HydrophobicContact CE2-CD1 3.92Å; F44-F95 AromaticContact CE2-CG 3.8Å; F44-F95 HydrophobicContact CE2-CG 3.8Å; F44-F95 HydrophobicContact CZ-CB 4.32Å; F95-I118 WeakPolarHBondContact CA-O 3.28Å; F95-I118 HydrophobicContact CD2-CB 4.29Å; F95-I118 HydrophobicContact CD2-CG2 3.99Å; F95-I118 HydrophobicContact CE2-CG2 4.28Å; F95-P120 HydrophobicContact CZ-CG 3.82Å; F95-L134 HydrophobicContact CE2-CD1 4.11Å; F95-T301 HydrophobicContact CE1-CG2 3.64Å; F95-T301 HydrophobicContact CE2-CG2 4.38Å; F95-T301 HydrophobicContact CZ-CG2 3.49Å; F95-T301 VanDerWaalsContact CZ-CG2 3.49Å; F95-M308 HydrophobicContact CB-CE 3.67Å; F95-M308 HydrophobicContact CD2-CE 4.37Å
96	G	90.4	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	138.5	-175.4	0	0	0	0	0	115	L32 I118 T119	L32-G96 WeakPolarHBondContact O-CA 3.31Å; G96-I118 PolarHBondContact N-O 2.99Å; G96-T119 WeakPolarHBondContact O-CA 3.49Å; G96-T119 WeakPolarHBondContact O-CB 3.44Å; G96-T119 PolarHBondContact O-OG1 3.37Å
97	L	89.2	Confident	89.2	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.052	15%	0.152	C	C	.	.			trans	-83	136.6	160.3	-73.1	158.4	0	0	0	108.8	L32 F33 I34 T37 T73 P120	L32-L97 PolarHBondContact O-N 2.98Å; L32-L97 VanDerWaalsContact O-N 3.08Å; F33-L97 HydrophobicContact CD1-CD1 4.2Å; I34-L97 HydrophobicContact CD1-CB 3.93Å; I34-L97 HydrophobicContact CD1-CD1 4.36Å; I34-L97 HydrophobicContact CG1-CB 3.75Å; I34-L97 HydrophobicContact CG1-CD1 4Å; I34-L97 HydrophobicContact CG1-CG 4.49Å; T37-L97 HydrophobicContact CG2-CD1 4.05Å; T73-L97 WeakPolarHBondContact CG2-O 3.27Å; L97-P120 HydrophobicContact CD2-CG 3.65Å; L97-P120 HydrophobicContact CG-CG 4.32Å
98	Y	88.3	Confident	89.2	Confident	5 Å²	5	35.5 Å²	35.5	2%	0.02	18%	0.176	C	C	.	.			trans	-123.4	157	167.3	59.5	-118	0	0	0	111.5	V103 L117 T119 S121 F122	Y98-V103 HydrophobicContact CD1-CG2 4.15Å; Y98-V103 HydrophobicContact CD2-CB 3.67Å; Y98-V103 HydrophobicContact CD2-CG2 3.58Å; Y98-V103 HydrophobicContact CE1-CG2 4Å; Y98-V103 HydrophobicContact CE2-CB 4.04Å; Y98-V103 HydrophobicContact CE2-CG2 3.47Å; Y98-V103 VanDerWaalsContact CE2-CG2 3.47Å; Y98-V103 HydrophobicContact CG-CB 4.06Å; Y98-V103 HydrophobicContact CG-CG2 3.96Å; Y98-L117 HydrophobicContact CD1-CD2 4.27Å; Y98-T119 HydrophobicContact CD1-CG2 4.22Å; Y98-T119 HydrophobicContact CE1-CG2 3.39Å; Y98-S121 VanDerWaalsContact CE2-CB 3.41Å; Y98-S121 PolarHBondContact N-OG 3Å; Y98-S121 PolarHBondContact O-OG 3.46Å; Y98-F122 HydrophobicContact CD2-CE1 4.15Å; Y98-F122 HydrophobicContact CD2-CZ 4.1Å; Y98-F122 HydrophobicContact CE2-CD1 4.41Å; Y98-F122 HydrophobicContact CE2-CD2 4.42Å; Y98-F122 HydrophobicContact CE2-CE1 4.08Å; Y98-F122 HydrophobicContact CE2-CE2 4.08Å; Y98-F122 AromaticContact CE2-CZ 3.88Å; Y98-F122 HydrophobicContact CE2-CZ 3.88Å; Y98-F122 WeakPolarHBondContact CE2-O 3.31Å; Y98-F122 PolarHBondContact OH-O 2.99Å
99	D	86.4	Confident	89.3	Confident	30 Å²	30	34.6 Å²	34.6	16%	0.16	17%	0.165	C	C	.	.			trans	-106.7	163.2	169.7	170.1	45.6	0	0	0	109.5	R101 S102 V103	D99-R101 PolarHBondContact O-N 3.5Å; D99-R101 VanDerWaalsContact O-N 3.13Å; D99-R101 WeakPolarHBondContact OD2-CB 3.4Å; D99-R101 WeakPolarHBondContact OD2-CG 3.48Å; D99-R101 PolarHBondContact OD2-N 3.36Å; D99-S102 PolarHBondContact N-OG 3.47Å; D99-S102 VanDerWaalsContact N-OG 3.14Å; D99-S102 PolarHBondContact O-N 2.91Å; D99-S102 PolarHBondContact O-OG 3.44Å; D99-V103 WeakPolarHBondContact O-CB 3.11Å; D99-V103 PolarHBondContact O-N 2.85Å
100	K	83.4	Confident	89.5	Confident	56 Å²	56	29.3 Å²	29.3	24%	0.243	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-30.8	173.6	171.6	175.7	167.2	-170.3	0	113.9	F122 T160 Y164	K100-F122 HydrophobicContact CB-CZ 4.1Å; K100-T160 WeakPolarHBondContact CD-O 3.39Å; K100-T160 PolarHBondContact NZ-O 3.33Å; K100-T160 PolarHBondContact NZ-OG1 2.91Å; K100-Y164 PolarHBondContact NZ-OH 3.13Å
101	R	85.1	Confident	89.6	Confident	158 Å²	158	31 Å²	31	60%	0.596	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-28.2	178.2	-58.8	179.4	-172.3	-164.6	2.6	113.1	S76 D99	S76-R101 PolarHBondContact OG-O 2.92Å; D99-R101 PolarHBondContact O-N 3.5Å; D99-R101 VanDerWaalsContact O-N 3.13Å; D99-R101 WeakPolarHBondContact OD2-CB 3.4Å; D99-R101 WeakPolarHBondContact OD2-CG 3.48Å; D99-R101 PolarHBondContact OD2-N 3.36Å
102	S	88.3	Confident	89.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-14.3	-176.2	46	0	0	0	0	114.8	T73 D99 H104 T105 L106	T73-S102 WeakPolarHBondContact O-CB 3.3Å; T73-S102 PolarHBondContact O-OG 2.88Å; D99-S102 PolarHBondContact N-OG 3.47Å; D99-S102 VanDerWaalsContact N-OG 3.14Å; D99-S102 PolarHBondContact O-N 2.91Å; D99-S102 PolarHBondContact O-OG 3.44Å; S102-H104 VanDerWaalsContact C-N 3.33Å; S102-H104 PolarHBondContact O-N 2.98Å; S102-T105 WeakPolarHBondContact O-CB 3.49Å; S102-T105 PolarHBondContact O-N 2.59Å; S102-T105 VanDerWaalsContact O-N 3.07Å; S102-L106 PolarHBondContact O-N 2.84Å
103	V	88.6	Confident	89.7	Confident	7 Å²	7	33 Å²	33	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-56.4	-43.6	-178.3	68.7	0	0	0	0	112.5	Y98 D99 T105 L106 T107 T124	Y98-V103 HydrophobicContact CD1-CG2 4.15Å; Y98-V103 HydrophobicContact CD2-CB 3.67Å; Y98-V103 HydrophobicContact CD2-CG2 3.58Å; Y98-V103 HydrophobicContact CE1-CG2 4Å; Y98-V103 HydrophobicContact CE2-CB 4.04Å; Y98-V103 HydrophobicContact CE2-CG2 3.47Å; Y98-V103 VanDerWaalsContact CE2-CG2 3.47Å; Y98-V103 HydrophobicContact CG-CB 4.06Å; Y98-V103 HydrophobicContact CG-CG2 3.96Å; D99-V103 WeakPolarHBondContact O-CB 3.11Å; D99-V103 PolarHBondContact O-N 2.85Å; V103-T105 VanDerWaalsContact C-N 3.33Å; V103-T105 PolarHBondContact O-N 2.99Å; V103-L106 PolarHBondContact O-N 3.43Å; V103-T107 HydrophobicContact CG2-CG2 4.26Å; V103-T107 WeakPolarHBondContact O-CB 3.42Å; V103-T107 VanDerWaalsContact O-CG2 3.28Å; V103-T107 WeakPolarHBondContact O-CG2 3.24Å; V103-T107 PolarHBondContact O-N 3.31Å; V103-T107 PolarHBondContact O-OG1 3.42Å; V103-T124 HydrophobicContact CG2-CG2 3.48Å; V103-T124 VanDerWaalsContact CG2-CG2 3.48Å
104	H	88.6	Confident	89.6	Confident	145 Å²	145	35 Å²	35	67%	0.671	18%	0.184	S	C	*	.	H	α-helix	trans	-67.5	-32.6	178.3	-67.1	-67.5	0	0	0	113	S102 T107 S108	S102-H104 VanDerWaalsContact C-N 3.33Å; S102-H104 PolarHBondContact O-N 2.98Å; H104-T107 WeakPolarHBondContact CA-OG1 3.48Å; H104-T107 PolarHBondContact O-OG1 3.34Å; H104-S108 WeakPolarHBondContact O-CB 3.11Å; H104-S108 PolarHBondContact O-N 3.06Å
105	T	90.8	Very high	89.5	Confident	31 Å²	31	35 Å²	35	19%	0.19	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-49.9	174.9	-52.9	0	0	0	0	110.2	T80 S102 V103 S108 F109	T80-T105 WeakPolarHBondContact OG1-CG2 3.15Å; S102-T105 WeakPolarHBondContact O-CB 3.49Å; S102-T105 PolarHBondContact O-N 2.59Å; S102-T105 VanDerWaalsContact O-N 3.07Å; V103-T105 VanDerWaalsContact C-N 3.33Å; V103-T105 PolarHBondContact O-N 2.99Å; T105-S108 PolarHBondContact O-N 3.49Å; T105-F109 HydrophobicContact CG2-CD2 3.86Å; T105-F109 HydrophobicContact CG2-CE2 3.81Å; T105-F109 VanDerWaalsContact O-CD2 3.27Å; T105-F109 WeakPolarHBondContact O-CD2 3.5Å; T105-F109 PolarHBondContact O-N 3.3Å
106	L	89.7	Confident	89.4	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-45.9	-178.9	-78.2	165.8	0	0	0	112.7	L32 V79 F83 S102 V103 S108 F109 C110 L117	L32-L106 HydrophobicContact CD1-CD2 4.09Å; V79-L106 HydrophobicContact CG1-CD1 3.73Å; V79-L106 HydrophobicContact CG1-CD2 3.69Å; V79-L106 HydrophobicContact CG1-CG 3.55Å; F83-L106 HydrophobicContact CD2-CD2 3.76Å; F83-L106 HydrophobicContact CE2-CD2 4.46Å; S102-L106 PolarHBondContact O-N 2.84Å; V103-L106 PolarHBondContact O-N 3.43Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.16Å; L106-F109 PolarHBondContact O-N 2.97Å; L106-C110 WeakPolarHBondContact O-CB 3.24Å; L106-C110 PolarHBondContact O-N 3.35Å; L106-C110 PolarHBondContact O-SG 2.95Å; L106-L117 HydrophobicContact CB-CD2 4.01Å
107	T	89.9	Confident	89.6	Confident	24 Å²	24	35.1 Å²	35.1	15%	0.147	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-39.7	176.9	54.8	0	0	0	0	111.6	V103 H104 S111 V131	V103-T107 HydrophobicContact CG2-CG2 4.26Å; V103-T107 WeakPolarHBondContact O-CB 3.42Å; V103-T107 VanDerWaalsContact O-CG2 3.28Å; V103-T107 WeakPolarHBondContact O-CG2 3.24Å; V103-T107 PolarHBondContact O-N 3.31Å; V103-T107 PolarHBondContact O-OG1 3.42Å; H104-T107 WeakPolarHBondContact CA-OG1 3.48Å; H104-T107 PolarHBondContact O-OG1 3.34Å; T107-S111 VanDerWaalsContact O-CB 3.3Å; T107-S111 WeakPolarHBondContact O-CB 3.39Å; T107-S111 PolarHBondContact O-N 3.02Å; T107-V131 HydrophobicContact CG2-CG2 4.06Å
108	S	90.7	Very high	89.9	Confident	78 Å²	78	34.6 Å²	34.6	55%	0.545	18%	0.182	S	C	.	.	H	α-helix	trans	-64.8	-47	176.9	-175.5	0	0	0	0	112.6	H104 T105 L106 S111 A112	H104-S108 WeakPolarHBondContact O-CB 3.11Å; H104-S108 PolarHBondContact O-N 3.06Å; T105-S108 PolarHBondContact O-N 3.49Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.16Å; S108-S111 PolarHBondContact O-N 2.82Å; S108-A112 WeakPolarHBondContact O-CB 3.38Å; S108-A112 PolarHBondContact O-N 2.9Å
109	F	90.6	Very high	90.1	Very high	41 Å²	41	34.4 Å²	34.4	18%	0.18	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-40	177.7	-84.1	-67.7	0	0	0	113.2	T80 F83 T105 L106 A112 L113 L332	T80-F109 HydrophobicContact CG2-CE2 3.68Å; T80-F109 HydrophobicContact CG2-CZ 3.67Å; F83-F109 HydrophobicContact CD1-CB 4.03Å; F83-F109 HydrophobicContact CD1-CD1 4.4Å; F83-F109 HydrophobicContact CD1-CG 4.21Å; F83-F109 HydrophobicContact CD2-CB 4.41Å; F83-F109 HydrophobicContact CE1-CB 3.74Å; F83-F109 HydrophobicContact CE1-CD1 4.37Å; F83-F109 HydrophobicContact CE1-CG 4.27Å; F83-F109 HydrophobicContact CE2-CB 4.08Å; F83-F109 HydrophobicContact CG-CB 4.37Å; F83-F109 HydrophobicContact CZ-CB 3.73Å; T105-F109 HydrophobicContact CG2-CD2 3.86Å; T105-F109 HydrophobicContact CG2-CE2 3.81Å; T105-F109 VanDerWaalsContact O-CD2 3.27Å; T105-F109 WeakPolarHBondContact O-CD2 3.5Å; T105-F109 PolarHBondContact O-N 3.3Å; L106-F109 PolarHBondContact O-N 2.97Å; F109-A112 PolarHBondContact O-N 3.35Å; F109-L113 HydrophobicContact CD1-CD1 4.1Å; F109-L113 WeakPolarHBondContact O-CB 3.37Å; F109-L113 PolarHBondContact O-N 2.87Å; F109-L332 HydrophobicContact CE1-CD2 4.5Å
110	C	91.1	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-44.2	176	-73.9	0	0	0	0	112.1	L106 H114 I115 L117 F130 V131	L106-C110 WeakPolarHBondContact O-CB 3.24Å; L106-C110 PolarHBondContact O-N 3.35Å; L106-C110 PolarHBondContact O-SG 2.95Å; C110-H114 WeakPolarHBondContact O-CA 3.39Å; C110-H114 PolarHBondContact O-N 3.35Å; C110-I115 WeakPolarHBondContact CB-O 3.48Å; C110-I115 PolarHBondContact O-N 3.49Å; C110-I115 PolarHBondContact SG-O 2.94Å; C110-I115 VanDerWaalsContact SG-O 3.39Å; C110-L117 WeakPolarHBondContact SG-CB 3.26Å; C110-F130 HydrophobicContact CB-CB 4.16Å; C110-V131 HydrophobicContact CB-CG2 4.47Å
111	S	89.6	Confident	90.7	Very high	47 Å²	47	30.6 Å²	30.6	33%	0.329	16%	0.164	S	C	.	.	H	α-helix	trans	-66.1	-43.3	175.9	-174.9	0	0	0	0	112.5	T107 S108 H114	T107-S111 VanDerWaalsContact O-CB 3.3Å; T107-S111 WeakPolarHBondContact O-CB 3.39Å; T107-S111 PolarHBondContact O-N 3.02Å; S108-S111 PolarHBondContact O-N 2.82Å; S111-H114 PolarHBondContact O-CD2 3.22Å
112	A	90.2	Very high	90.9	Very high	57 Å²	57	24.3 Å²	24.3	47%	0.471	14%	0.141	S	C	.	.	H	α-helix	trans	-69.5	-33.8	-178.9	0	0	0	0	0	114.3	S108 F109	S108-A112 WeakPolarHBondContact O-CB 3.38Å; S108-A112 PolarHBondContact O-N 2.9Å; F109-A112 PolarHBondContact O-N 3.35Å
113	L	90.6	Very high	90.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-107.2	-0.2	-172.4	-65.2	166.5	0	0	0	113.9	F83 Y87 F109 I115 C331 A336 W339	F83-L113 HydrophobicContact CE1-CD1 3.7Å; F83-L113 HydrophobicContact CZ-CD1 4.46Å; Y87-L113 HydrophobicContact CE1-CD2 4.29Å; Y87-L113 HydrophobicContact CE2-CB 4.36Å; Y87-L113 HydrophobicContact CE2-CD2 4.36Å; F109-L113 HydrophobicContact CD1-CD1 4.1Å; F109-L113 WeakPolarHBondContact O-CB 3.37Å; F109-L113 PolarHBondContact O-N 2.87Å; L113-I115 HydrophobicContact CB-CD1 4.29Å; L113-I115 HydrophobicContact CB-CG1 4.13Å; L113-C331 HydrophobicContact CD1-CB 4.2Å; L113-A336 HydrophobicContact CD2-CB 3.84Å; L113-W339 PolarHBondContact O-N 3.01Å; L113-W339 VanDerWaalsContact O-N 3.15Å
114	H	91.7	Very high	90.4	Very high	43 Å²	43	27.1 Å²	27.1	20%	0.199	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	47.1	-175.4	-62.2	177.3	0	0	0	113.1	C110 S111 F130 P338 G342	C110-H114 WeakPolarHBondContact O-CA 3.39Å; C110-H114 PolarHBondContact O-N 3.35Å; S111-H114 PolarHBondContact O-CD2 3.22Å; H114-F130 HydrophobicContact CB-CD1 4.25Å; H114-F130 HydrophobicContact CB-CE1 3.62Å; H114-F130 HydrophobicContact CB-CE2 4.37Å; H114-F130 HydrophobicContact CB-CZ 3.68Å; H114-F130 AromaticContact CD2-CE2 3.31Å; H114-F130 WeakPolarHBondContact CD2-CE2 3.35Å; H114-F130 AromaticContact CD2-CZ 3.23Å; H114-F130 WeakPolarHBondContact CD2-CZ 3.42Å; H114-F130 AromaticContact CG-CE1 3.87Å; H114-F130 AromaticContact CG-CE2 3.95Å; H114-F130 AromaticContact CG-CZ 3.38Å; H114-F130 AromaticContact NE2-CE2 3.93Å; H114-F130 AromaticContact NE2-CZ 3.84Å; H114-P338 HydrophobicContact CB-CB 4.29Å; H114-G342 WeakPolarHBondContact O-CA 3.32Å
115	I	91.3	Very high	89.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.15	C	C	.	.			trans	-108.7	121.5	174.6	-48.9	178	0	0	0	109.3	F83 Y87 I94 C110 L113 L117	F83-I115 HydrophobicContact CE1-CD1 3.89Å; F83-I115 HydrophobicContact CE2-CD1 4.49Å; F83-I115 HydrophobicContact CZ-CB 4.37Å; F83-I115 HydrophobicContact CZ-CD1 3.59Å; F83-I115 HydrophobicContact CZ-CG1 4.37Å; Y87-I115 HydrophobicContact CD2-CD1 3.39Å; Y87-I115 HydrophobicContact CD2-CG1 4.31Å; Y87-I115 HydrophobicContact CE2-CD1 4.09Å; Y87-I115 HydrophobicContact CG-CD1 4.18Å; I94-I115 HydrophobicContact CD1-CG2 4.05Å; I94-I115 HydrophobicContact CG1-CG2 4.08Å; C110-I115 WeakPolarHBondContact CB-O 3.48Å; C110-I115 PolarHBondContact O-N 3.49Å; C110-I115 PolarHBondContact SG-O 2.94Å; C110-I115 VanDerWaalsContact SG-O 3.39Å; L113-I115 HydrophobicContact CB-CD1 4.29Å; L113-I115 HydrophobicContact CB-CG1 4.13Å; I115-L117 PolarHBondContact O-N 3.39Å
116	S	93.8	Very high	88.5	Confident	1 Å²	1	26 Å²	26	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	121	177.4	-61.4	0	0	0	0	112	I94 F130 L349	I94-S116 PolarHBondContact N-O 2.85Å; S116-F130 CarbonylContact C-O 3.57Å; S116-F130 WeakPolarHBondContact CA-O 3.45Å; S116-L349 WeakPolarHBondContact OG-CD1 3.39Å
117	L	93.8	Very high	87.9	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.4	171.3	172.2	66.2	0	0	0	110.2	I94 Y98 L106 C110 I115 F130 V131 L132	I94-L117 HydrophobicContact CB-CD1 4.38Å; I94-L117 HydrophobicContact CG2-CD1 3.98Å; I94-L117 CarbonylContact O-C 3.55Å; I94-L117 WeakPolarHBondContact O-CA 3.27Å; Y98-L117 HydrophobicContact CD1-CD2 4.27Å; L106-L117 HydrophobicContact CB-CD2 4.01Å; C110-L117 WeakPolarHBondContact SG-CB 3.26Å; I115-L117 PolarHBondContact O-N 3.39Å; L117-F130 PolarHBondContact N-O 3.5Å; L117-V131 HydrophobicContact CB-CG2 4.45Å; L117-V131 HydrophobicContact CD2-CG2 4.46Å; L117-V131 CarbonylContact O-C 3.48Å; L117-V131 WeakPolarHBondContact O-CA 3.5Å; L117-L132 PolarHBondContact O-N 3.31Å
118	I	95.2	Very high	87.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.4	175.6	-64.9	61	0	0	0	107.3	A93 I94 F95 G96 L132 L134 M308 L349	A93-I118 HydrophobicContact CB-CD1 4.31Å; I94-I118 PolarHBondContact O-N 3.34Å; F95-I118 WeakPolarHBondContact CA-O 3.28Å; F95-I118 HydrophobicContact CD2-CB 4.29Å; F95-I118 HydrophobicContact CD2-CG2 3.99Å; F95-I118 HydrophobicContact CE2-CG2 4.28Å; G96-I118 PolarHBondContact N-O 2.99Å; I118-L132 HydrophobicContact CG1-CB 4.18Å; I118-L132 HydrophobicContact CG1-CD2 4.1Å; I118-L134 HydrophobicContact CG2-CD1 3.75Å; I118-L134 HydrophobicContact CG2-CD2 4.13Å; I118-L134 HydrophobicContact CG2-CG 4.03Å; I118-M308 HydrophobicContact CB-CE 3.76Å; I118-M308 HydrophobicContact CD1-CE 3.76Å; I118-M308 HydrophobicContact CG1-CE 3.75Å; I118-M308 HydrophobicContact CG1-CG 4.31Å; I118-M308 HydrophobicContact CG2-CE 4.48Å; I118-L349 HydrophobicContact CD1-CD1 3.96Å; I118-L349 HydrophobicContact CD1-CD2 4.18Å; I118-L349 HydrophobicContact CG1-CD2 4.22Å
119	T	93.4	Very high	87.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141	-172.4	-171.7	0	0	0	0	114.8	G96 Y98 S121 V131 L132 Q133 L134	G96-T119 WeakPolarHBondContact O-CA 3.49Å; G96-T119 WeakPolarHBondContact O-CB 3.44Å; G96-T119 PolarHBondContact O-OG1 3.37Å; Y98-T119 HydrophobicContact CD1-CG2 4.22Å; Y98-T119 HydrophobicContact CE1-CG2 3.39Å; T119-S121 WeakPolarHBondContact OG1-CB 3.49Å; T119-S121 PolarHBondContact OG1-N 3.41Å; T119-S121 VanDerWaalsContact OG1-N 3.12Å; T119-V131 HydrophobicContact CG2-CG1 4.33Å; T119-L132 PolarHBondContact N-O 3.36Å; T119-Q133 HydrophobicContact CG2-CG 4.37Å; T119-L134 WeakPolarHBondContact O-CB 3.42Å; T119-L134 WeakPolarHBondContact O-CG 3.48Å; T119-L134 PolarHBondContact O-N 3.3Å
120	P	92.9	Very high	87.1	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.			trans	-94.6	5	167.9	40.6	-36.6	0	0	0	112.8	F95 L97 R135 L300	F95-P120 HydrophobicContact CZ-CG 3.82Å; L97-P120 HydrophobicContact CD2-CG 3.65Å; L97-P120 HydrophobicContact CG-CG 4.32Å; P120-R135 VanDerWaalsContact O-CZ 3.26Å; P120-R135 PolarHBondContact O-NE 2.84Å; P120-R135 PolarHBondContact O-NH2 3.38Å; P120-L300 HydrophobicContact CB-CB 3.71Å; P120-L300 HydrophobicContact CB-CD1 4.37Å
121	S	89.8	Confident	87.2	Confident	6 Å²	6	33.1 Å²	33.1	4%	0.042	19%	0.191	C	C	.	.	S	Bend	trans	-65.8	178.2	176.5	-75.4	0	0	0	0	112.6	Y98 T119 R135	Y98-S121 VanDerWaalsContact CE2-CB 3.41Å; Y98-S121 PolarHBondContact N-OG 3Å; Y98-S121 PolarHBondContact O-OG 3.46Å; T119-S121 WeakPolarHBondContact OG1-CB 3.49Å; T119-S121 PolarHBondContact OG1-N 3.41Å; T119-S121 VanDerWaalsContact OG1-N 3.12Å; S121-R135 WeakPolarHBondContact O-CB 3.3Å; S121-R135 PolarHBondContact O-NE 3.01Å
122	F	87.8	Confident	87.3	Confident	27 Å²	27	31.1 Å²	31.1	12%	0.118	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-63.2	145.9	178.2	62	-92.5	0	0	0	111.8	Y98 K100 D161	Y98-F122 HydrophobicContact CD2-CE1 4.15Å; Y98-F122 HydrophobicContact CD2-CZ 4.1Å; Y98-F122 HydrophobicContact CE2-CD1 4.41Å; Y98-F122 HydrophobicContact CE2-CD2 4.42Å; Y98-F122 HydrophobicContact CE2-CE1 4.08Å; Y98-F122 HydrophobicContact CE2-CE2 4.08Å; Y98-F122 AromaticContact CE2-CZ 3.88Å; Y98-F122 HydrophobicContact CE2-CZ 3.88Å; Y98-F122 WeakPolarHBondContact CE2-O 3.31Å; Y98-F122 PolarHBondContact OH-O 2.99Å; K100-F122 HydrophobicContact CB-CZ 4.1Å; F122-D161 WeakPolarHBondContact CE1-O 3.49Å
123	P	87	Confident	87.5	Confident	43 Å²	43	28.6 Å²	28.6	28%	0.279	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-69.3	144.3	-178.6	28.6	-35	0	0	0	112.2
124	T	80.8	Confident	87.6	Confident	23 Å²	23	28.6 Å²	28.6	14%	0.141	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-95.1	145.4	172.8	63.8	0	0	0	0	111	V103 S128 Q133	V103-T124 HydrophobicContact CG2-CG2 3.48Å; V103-T124 VanDerWaalsContact CG2-CG2 3.48Å; T124-S128 PolarHBondContact OG1-OG 2.98Å; T124-S128 VanDerWaalsContact OG1-OG 3.14Å; T124-Q133 PolarHBondContact OG1-NE2 3.19Å
125	E	68.3	Low	87.7	Confident	102 Å²	102	27.6 Å²	27.6	48%	0.477	15%	0.15	S	C	.	.	S	Bend	trans	-87.3	-19.6	-179.8	-65.9	-166.4	138.1	0	0	113.9	R139 S165	E125-R139 IonicContact OE1-NH1 3.94Å; E125-S165 VanDerWaalsContact CD-OG 3.31Å; E125-S165 WeakPolarHBondContact OE1-CB 3.37Å; E125-S165 PolarHBondContact OE1-OG 3.08Å
126	G	70.8	Confident	87.7	Confident	51 Å²	51	27.8 Å²	27.8	53%	0.526	15%	0.151	S	C	.	.	S	Bend	trans	-79.5	149.1	178.1	0	0	0	0	0	113.3	S128	G126-S128 PolarHBondContact O-N 3.49Å; G126-S128 PolarHBondContact O-OG 3.37Å
127	E	76.5	Confident	87.5	Confident	153 Å²	153	29.8 Å²	29.8	72%	0.715	16%	0.164	S	C	*	.			trans	-60.8	93.2	176.1	-63.4	-174.4	-177.7	0	0	111.1	Y366	E127-Y366 HydrophobicContact CB-CD1 4.16Å; E127-Y366 HydrophobicContact CB-CE1 4.16Å; E127-Y366 HydrophobicContact CG-CD1 4.02Å; E127-Y366 HydrophobicContact CG-CE1 3.68Å
128	S	78.6	Confident	87.3	Confident	16 Å²	16	30.4 Å²	30.4	11%	0.112	17%	0.168	C	C	.	.			trans	-101.4	106.5	-173.2	-55.9	0	0	0	0	109.6	T124 G126	T124-S128 PolarHBondContact OG1-OG 2.98Å; T124-S128 VanDerWaalsContact OG1-OG 3.14Å; G126-S128 PolarHBondContact O-N 3.49Å; G126-S128 PolarHBondContact O-OG 3.37Å
129	Q	85.4	Confident	87.1	Confident	117 Å²	117	33.9 Å²	33.9	55%	0.547	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	150.5	172.1	-63.4	-179	-4.8	0	0	110.5	V131	Q129-V131 PolarHBondContact O-N 3.5Å
130	F	91.1	Very high	86.9	Confident	6 Å²	6	35 Å²	35	3%	0.026	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	21.3	-178.1	-55.1	-88.6	0	0	0	115.4	C110 H114 S116 L117 I343 E346	C110-F130 HydrophobicContact CB-CB 4.16Å; H114-F130 HydrophobicContact CB-CD1 4.25Å; H114-F130 HydrophobicContact CB-CE1 3.62Å; H114-F130 HydrophobicContact CB-CE2 4.37Å; H114-F130 HydrophobicContact CB-CZ 3.68Å; H114-F130 AromaticContact CD2-CE2 3.31Å; H114-F130 WeakPolarHBondContact CD2-CE2 3.35Å; H114-F130 AromaticContact CD2-CZ 3.23Å; H114-F130 WeakPolarHBondContact CD2-CZ 3.42Å; H114-F130 AromaticContact CG-CE1 3.87Å; H114-F130 AromaticContact CG-CE2 3.95Å; H114-F130 AromaticContact CG-CZ 3.38Å; H114-F130 AromaticContact NE2-CE2 3.93Å; H114-F130 AromaticContact NE2-CZ 3.84Å; S116-F130 CarbonylContact C-O 3.57Å; S116-F130 WeakPolarHBondContact CA-O 3.45Å; L117-F130 PolarHBondContact N-O 3.5Å; F130-I343 HydrophobicContact CE1-CG1 4.4Å; F130-I343 HydrophobicContact CZ-CG1 4.07Å; F130-E346 WeakPolarHBondContact CA-OE1 3.37Å; F130-E346 HydrophobicContact CD1-CB 3.95Å; F130-E346 HydrophobicContact CD1-CG 4.26Å; F130-E346 HydrophobicContact CE1-CB 4.09Å; F130-E346 PolarHBondContact N-OE1 2.96Å
131	V	92.8	Very high	86.8	Confident	2 Å²	2	35 Å²	35	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.8	175.5	-177.1	0	0	0	0	110.7	T107 C110 L117 T119 Q129 Q133	T107-V131 HydrophobicContact CG2-CG2 4.06Å; C110-V131 HydrophobicContact CB-CG2 4.47Å; L117-V131 HydrophobicContact CB-CG2 4.45Å; L117-V131 HydrophobicContact CD2-CG2 4.46Å; L117-V131 CarbonylContact O-C 3.48Å; L117-V131 WeakPolarHBondContact O-CA 3.5Å; T119-V131 HydrophobicContact CG2-CG1 4.33Å; Q129-V131 PolarHBondContact O-N 3.5Å; V131-Q133 HydrophobicContact CG1-CG 4.2Å
132	L	92.8	Very high	87	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.7	179	-159.2	78	0	0	0	109.9	L117 I118 T119 V307 L349 K350 F363	L117-L132 PolarHBondContact O-N 3.31Å; I118-L132 HydrophobicContact CG1-CB 4.18Å; I118-L132 HydrophobicContact CG1-CD2 4.1Å; T119-L132 PolarHBondContact N-O 3.36Å; L132-V307 HydrophobicContact CD2-CG1 3.76Å; L132-L349 HydrophobicContact CD1-CB 4.46Å; L132-L349 HydrophobicContact CD2-CB 4.32Å; L132-L349 HydrophobicContact CD2-CD2 4Å; L132-K350 HydrophobicContact CD1-CG 4.3Å; L132-F363 HydrophobicContact CD1-CB 4.18Å; L132-F363 HydrophobicContact CD1-CD1 3.68Å; L132-F363 HydrophobicContact CD1-CD2 3.91Å; L132-F363 HydrophobicContact CD1-CE1 3.99Å; L132-F363 HydrophobicContact CD1-CE2 4.2Å; L132-F363 HydrophobicContact CD1-CG 3.64Å; L132-F363 HydrophobicContact CD1-CZ 4.25Å; L132-F363 HydrophobicContact CD2-CD2 4.33Å; L132-F363 HydrophobicContact CD2-CE1 4.05Å; L132-F363 HydrophobicContact CD2-CE2 3.82Å; L132-F363 HydrophobicContact CD2-CZ 3.66Å; L132-F363 HydrophobicContact CG-CD1 3.91Å; L132-F363 HydrophobicContact CG-CD2 4.4Å; L132-F363 HydrophobicContact CG-CE1 3.69Å; L132-F363 HydrophobicContact CG-CE2 4.21Å; L132-F363 HydrophobicContact CG-CG 4.27Å; L132-F363 HydrophobicContact CG-CZ 3.86Å
133	Q	92.9	Very high	87.2	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.4	-172.6	-60.5	173.3	15.9	0	0	109.9	T119 T124 V131 G367	T119-Q133 HydrophobicContact CG2-CG 4.37Å; T124-Q133 PolarHBondContact OG1-NE2 3.19Å; V131-Q133 HydrophobicContact CG1-CG 4.2Å; Q133-G367 PolarHBondContact N-O 3.1Å
134	L	93.5	Very high	87.4	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.187	C	C	.	.			trans	-76.9	-28	-178.1	-56.7	171.4	0	0	0	112.1	F95 I118 T119 P136 L300 G304 F363 R369	F95-L134 HydrophobicContact CE2-CD1 4.11Å; I118-L134 HydrophobicContact CG2-CD1 3.75Å; I118-L134 HydrophobicContact CG2-CD2 4.13Å; I118-L134 HydrophobicContact CG2-CG 4.03Å; T119-L134 WeakPolarHBondContact O-CB 3.42Å; T119-L134 WeakPolarHBondContact O-CG 3.48Å; T119-L134 PolarHBondContact O-N 3.3Å; L134-P136 WeakPolarHBondContact O-CD 3.34Å; L134-L300 HydrophobicContact CB-CB 4.45Å; L134-L300 HydrophobicContact CB-CD2 3.98Å; L134-L300 WeakPolarHBondContact CD1-O 3.32Å; L134-L300 WeakPolarHBondContact O-CD2 3.3Å; L134-G304 VanDerWaalsContact CD1-CA 3.46Å; L134-F363 HydrophobicContact CD2-CE1 4.2Å; L134-F363 HydrophobicContact CD2-CZ 3.87Å; L134-R369 WeakPolarHBondContact O-CD 3.3Å; L134-R369 PolarHBondContact O-NH1 3Å
135	R	92.6	Very high	87.9	Confident	22 Å²	22	32.9 Å²	32.9	8%	0.083	18%	0.181	C	C	.	.	S	Bend	trans	-75.8	121.2	-179.3	-164.3	-178	-59.7	-165	-3.1	110	P120 S121 L242 Y296 L300	P120-R135 VanDerWaalsContact O-CZ 3.26Å; P120-R135 PolarHBondContact O-NE 2.84Å; P120-R135 PolarHBondContact O-NH2 3.38Å; S121-R135 WeakPolarHBondContact O-CB 3.3Å; S121-R135 PolarHBondContact O-NE 3.01Å; R135-L242 HydrophobicContact CG-CD1 3.5Å; R135-L242 VanDerWaalsContact CG-CD1 3.5Å; R135-Y296 PolarHBondContact NH1-OH 3.48Å; R135-L300 HydrophobicContact CB-CD1 4.04Å; R135-L300 HydrophobicContact CG-CD1 4.11Å
136	P	91.9	Very high	89.1	Confident	3 Å²	3	28 Å²	28	2%	0.019	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-69	161.8	175.4	27.4	-32.6	0	0	0	112.4	L134 L242 L264 Y372 M374	L134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-L242 HydrophobicContact CG-CD1 4.08Å; P136-L264 HydrophobicContact CG-CD1 3.91Å; P136-L264 HydrophobicContact CG-CD2 3.83Å; P136-Y372 HydrophobicContact CB-CD1 3.73Å; P136-Y372 HydrophobicContact CB-CD2 3.52Å; P136-Y372 HydrophobicContact CB-CE1 3.64Å; P136-Y372 HydrophobicContact CB-CE2 3.43Å; P136-Y372 VanDerWaalsContact CB-CE2 3.43Å; P136-Y372 HydrophobicContact CB-CG 3.66Å; P136-Y372 VanDerWaalsContact CB-CZ 3.48Å; P136-Y372 HydrophobicContact CG-CD2 4.22Å; P136-Y372 HydrophobicContact CG-CE2 4.36Å; P136-M374 HydrophobicContact CB-SD 4.45Å; P136-M374 HydrophobicContact CG-SD 4.2Å
137	S	89.4	Confident	90	Very high	43 Å²	43	28.9 Å²	28.9	30%	0.301	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-79.3	127.9	176.4	-174.4	0	0	0	0	111.6	R139 Y372	S137-R139 PolarHBondContact OG-N 2.91Å; S137-Y372 PolarHBondContact N-OH 3.43Å; S137-Y372 PolarHBondContact O-OH 2.76Å
138	L	90.8	Very high	90.6	Very high	15 Å²	15	25.6 Å²	25.6	8%	0.079	14%	0.135	C	C	.	.			trans	-83.1	-14.6	175.6	-178.1	59.9	0	0	0	112.9	G140 A141 L142 I166 A240 L242 F262 M374	L138-G140 PolarHBondContact O-N 3.44Å; L138-A141 HydrophobicContact CD1-CB 4.22Å; L138-A141 PolarHBondContact O-N 2.88Å; L138-L142 HydrophobicContact CG-CB 4.43Å; L138-L142 PolarHBondContact O-N 3.27Å; L138-I166 HydrophobicContact CB-CD1 4.31Å; L138-I166 HydrophobicContact CD2-CD1 4.26Å; L138-A240 HydrophobicContact CD2-CB 3.71Å; L138-A240 WeakPolarHBondContact CD2-O 3.45Å; L138-L242 HydrophobicContact CD1-CD2 4.44Å; L138-F262 HydrophobicContact CD1-CB 4.38Å; L138-F262 HydrophobicContact CD1-CD1 4.22Å; L138-F262 HydrophobicContact CD1-CD2 3.52Å; L138-F262 HydrophobicContact CD1-CE1 4.42Å; L138-F262 HydrophobicContact CD1-CE2 3.77Å; L138-F262 HydrophobicContact CD1-CG 3.77Å; L138-F262 HydrophobicContact CD1-CZ 4.21Å; L138-M374 HydrophobicContact CD1-CE 3.56Å
139	R	90	Very high	91	Very high	72 Å²	72	27.6 Å²	27.6	27%	0.272	14%	0.14	S	C	.	.	H	α-helix	trans	-51.5	-52.1	-172.3	177.6	175.1	170.6	148.5	8.4	112.9	E125 S137 L143 A169 E172	E125-R139 IonicContact OE1-NH1 3.94Å; S137-R139 PolarHBondContact OG-N 2.91Å; R139-L143 HydrophobicContact CG-CD1 4.42Å; R139-L143 WeakPolarHBondContact O-CG 3.38Å; R139-L143 PolarHBondContact O-N 3.16Å; R139-A169 HydrophobicContact CG-CB 3.55Å; R139-A169 VanDerWaalsContact CZ-CB 3.46Å; R139-A169 VanDerWaalsContact NE-CB 3.28Å; R139-E172 IonicContact CZ-OE2 3.27Å; R139-E172 IonicContact NH2-OE2 2.69Å; R139-E172 PolarHBondContact NH2-OE2 3.47Å
140	G	89.4	Confident	91.1	Very high	24 Å²	24	30 Å²	30	25%	0.247	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-41.4	-177.6	0	0	0	0	0	113.4	L138 S144	L138-G140 PolarHBondContact O-N 3.44Å; G140-S144 WeakPolarHBondContact O-CB 3.39Å; G140-S144 PolarHBondContact O-N 3Å; G140-S144 PolarHBondContact O-OG 3.38Å
141	A	91.6	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-44.2	-179.9	0	0	0	0	0	112.2	L138 S144 L145 F262 M374 W390	L138-A141 HydrophobicContact CD1-CB 4.22Å; L138-A141 PolarHBondContact O-N 2.88Å; A141-S144 PolarHBondContact O-N 2.89Å; A141-L145 WeakPolarHBondContact O-CB 3.5Å; A141-L145 PolarHBondContact O-N 3.34Å; A141-F262 HydrophobicContact CB-CD1 4.15Å; A141-F262 HydrophobicContact CB-CE1 3.76Å; A141-F262 HydrophobicContact CB-CZ 4.39Å; A141-M374 HydrophobicContact CB-CE 4.18Å; A141-W390 HydrophobicContact CB-CB 4.2Å; A141-W390 HydrophobicContact CB-CD2 3.57Å; A141-W390 HydrophobicContact CB-CE3 3.86Å; A141-W390 HydrophobicContact CB-CG 3.7Å
142	L	93	Very high	90.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-43.8	179.5	-175.7	62.8	0	0	0	112.3	L138 L145 L146 I166 I170 V210 I238 A240 F262	L138-L142 HydrophobicContact CG-CB 4.43Å; L138-L142 PolarHBondContact O-N 3.27Å; L142-L145 PolarHBondContact O-N 3.31Å; L142-L146 HydrophobicContact CG-CD1 4.42Å; L142-L146 WeakPolarHBondContact O-CG 3.26Å; L142-L146 PolarHBondContact O-N 3.1Å; L142-I166 HydrophobicContact CD2-CG2 3.6Å; L142-I170 HydrophobicContact CD2-CD1 3.98Å; L142-V210 HydrophobicContact CD1-CG1 4.09Å; L142-V210 HydrophobicContact CD2-CG1 4.17Å; L142-I238 HydrophobicContact CD1-CG2 3.81Å; L142-A240 HydrophobicContact CD2-CB 4.15Å; L142-F262 HydrophobicContact CD1-CE2 4.16Å; L142-F262 HydrophobicContact CD1-CZ 4.34Å
143	L	92.3	Very high	90.4	Very high	29 Å²	29	39.7 Å²	39.7	15%	0.152	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-41.7	175.8	-68.3	177	0	0	0	111.8	R139 L145 L146 D147 A169 I170 K173 W179	R139-L143 HydrophobicContact CG-CD1 4.42Å; R139-L143 WeakPolarHBondContact O-CG 3.38Å; R139-L143 PolarHBondContact O-N 3.16Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 PolarHBondContact O-N 2.88Å; L143-L146 PolarHBondContact O-N 3.21Å; L143-D147 PolarHBondContact O-N 3.06Å; L143-A169 HydrophobicContact CD1-CB 4.31Å; L143-I170 HydrophobicContact CD2-CG1 4.14Å; L143-K173 HydrophobicContact CD2-CB 4Å; L143-K173 HydrophobicContact CD2-CG 4.17Å; L143-W179 HydrophobicContact CD2-CZ3 4.47Å
144	S	91.5	Very high	90.5	Very high	23 Å²	23	39.5 Å²	39.5	16%	0.161	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-34.5	176.9	-54.7	0	0	0	0	112.3	G140 A141 H148 W390	G140-S144 WeakPolarHBondContact O-CB 3.39Å; G140-S144 PolarHBondContact O-N 3Å; G140-S144 PolarHBondContact O-OG 3.38Å; A141-S144 PolarHBondContact O-N 2.89Å; S144-H148 WeakPolarHBondContact O-CB 3.42Å; S144-H148 PolarHBondContact O-N 3.42Å; S144-W390 PolarHBondContact OG-NE1 2.87Å
145	L	91.9	Very high	90.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-73.4	-37.2	176.8	-168.9	65.1	0	0	0	112.5	A141 L142 L143 H148 Y149 I238 F262 V376 L396	A141-L145 WeakPolarHBondContact O-CB 3.5Å; A141-L145 PolarHBondContact O-N 3.34Å; L142-L145 PolarHBondContact O-N 3.31Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 PolarHBondContact O-N 2.88Å; L145-H148 PolarHBondContact O-N 3.17Å; L145-Y149 HydrophobicContact CD1-CD2 4.12Å; L145-Y149 HydrophobicContact CD1-CE2 3.55Å; L145-Y149 HydrophobicContact CD2-CE2 4.37Å; L145-Y149 HydrophobicContact CG-CD2 4.04Å; L145-Y149 HydrophobicContact CG-CE2 3.78Å; L145-Y149 VanDerWaalsContact O-CD2 3.32Å; L145-Y149 WeakPolarHBondContact O-CD2 3.45Å; L145-Y149 PolarHBondContact O-N 3.36Å; L145-Y149 VanDerWaalsContact O-N 3.12Å; L145-I238 HydrophobicContact CD2-CD1 4.4Å; L145-I238 HydrophobicContact CD2-CG2 3.81Å; L145-F262 HydrophobicContact CB-CZ 4.21Å; L145-F262 HydrophobicContact CD2-CE1 4.14Å; L145-F262 HydrophobicContact CD2-CE2 4.23Å; L145-F262 HydrophobicContact CD2-CZ 3.55Å; L145-V376 HydrophobicContact CD1-CG1 4.09Å; L145-L396 HydrophobicContact CD1-CD2 4.09Å
146	L	92.2	Very high	90.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-42.3	174.4	-73.4	170.2	0	0	0	112.2	L142 L143 E150 W151 F154 W179 V210 I238	L142-L146 HydrophobicContact CG-CD1 4.42Å; L142-L146 WeakPolarHBondContact O-CG 3.26Å; L142-L146 PolarHBondContact O-N 3.1Å; L143-L146 PolarHBondContact O-N 3.21Å; L146-E150 PolarHBondContact O-N 3.27Å; L146-W151 HydrophobicContact CD2-CB 4.13Å; L146-W151 HydrophobicContact CD2-CD2 4.18Å; L146-W151 HydrophobicContact CD2-CE3 3.6Å; L146-W151 HydrophobicContact CD2-CG 4.44Å; L146-W151 HydrophobicContact CD2-CZ3 4.34Å; L146-W151 PolarHBondContact O-N 2.93Å; L146-F154 HydrophobicContact CD1-CE1 4.49Å; L146-F154 HydrophobicContact CD1-CE2 4.4Å; L146-F154 HydrophobicContact CD1-CZ 3.9Å; L146-F154 HydrophobicContact CD2-CD1 4.44Å; L146-F154 HydrophobicContact CD2-CE1 4.12Å; L146-F154 HydrophobicContact CD2-CE2 4.46Å; L146-F154 HydrophobicContact CD2-CZ 4.13Å; L146-W179 HydrophobicContact CB-CH2 3.98Å; L146-W179 HydrophobicContact CB-CZ3 4.47Å; L146-W179 HydrophobicContact CD1-CZ3 4.24Å; L146-V210 HydrophobicContact CD2-CG2 3.98Å; L146-I238 HydrophobicContact CD2-CD1 3.91Å
147	D	89.3	Confident	90.8	Very high	69 Å²	69	38.3 Å²	38.3	37%	0.369	19%	0.189	S	C	.	.	H	α-helix	trans	-62.8	-43	173	-78	-24.5	0	0	0	110.3	L143 Y149 E150 W179	L143-D147 PolarHBondContact O-N 3.06Å; D147-Y149 PolarHBondContact O-N 3.05Å; D147-E150 PolarHBondContact O-N 2.86Å; D147-E150 VanDerWaalsContact O-N 3.11Å; D147-W179 VanDerWaalsContact OD1-CZ2 3.32Å; D147-W179 WeakPolarHBondContact OD1-CZ2 3.48Å
148	H	88.9	Confident	90.9	Very high	84 Å²	84	38.1 Å²	38.1	39%	0.389	18%	0.182	S	C	.	.	H	α-helix	trans	-61.2	-40	178.1	171.4	48.8	0	0	0	114	S144 L145 E150 L396	S144-H148 WeakPolarHBondContact O-CB 3.42Å; S144-H148 PolarHBondContact O-N 3.42Å; L145-H148 PolarHBondContact O-N 3.17Å; H148-E150 VanDerWaalsContact C-N 3.26Å; H148-E150 PolarHBondContact O-N 3.18Å; H148-L396 HydrophobicContact CB-CD2 3.69Å
149	Y	88.4	Confident	90.8	Very high	58 Å²	58	37.4 Å²	37.4	23%	0.227	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	1.4	176.9	-71.2	-55.4	0	0	0	114.1	L145 D147 W151 H236 I238 T260	L145-Y149 HydrophobicContact CD1-CD2 4.12Å; L145-Y149 HydrophobicContact CD1-CE2 3.55Å; L145-Y149 HydrophobicContact CD2-CE2 4.37Å; L145-Y149 HydrophobicContact CG-CD2 4.04Å; L145-Y149 HydrophobicContact CG-CE2 3.78Å; L145-Y149 VanDerWaalsContact O-CD2 3.32Å; L145-Y149 WeakPolarHBondContact O-CD2 3.45Å; L145-Y149 PolarHBondContact O-N 3.36Å; L145-Y149 VanDerWaalsContact O-N 3.12Å; D147-Y149 PolarHBondContact O-N 3.05Å; Y149-W151 VanDerWaalsContact C-N 3.3Å; Y149-W151 VanDerWaalsContact CB-CD1 3.44Å; Y149-W151 VanDerWaalsContact O-CD1 3.26Å; Y149-W151 PolarHBondContact O-N 3.29Å; Y149-H236 AromaticContact CE2-CE1 3.91Å; Y149-H236 AromaticContact CZ-CE1 3.9Å; Y149-I238 HydrophobicContact CD2-CD1 4.41Å; Y149-T260 HydrophobicContact CE2-CG2 4.18Å; Y149-T260 WeakPolarHBondContact OH-CG2 3.24Å
150	E	87.5	Confident	90.5	Very high	168 Å²	168	34.8 Å²	34.8	79%	0.785	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	43	-176.6	-57.2	-176.4	172.5	0	0	112.7	L146 D147 H148 N152	L146-E150 PolarHBondContact O-N 3.27Å; D147-E150 PolarHBondContact O-N 2.86Å; D147-E150 VanDerWaalsContact O-N 3.11Å; H148-E150 VanDerWaalsContact C-N 3.26Å; H148-E150 PolarHBondContact O-N 3.18Å; E150-N152 PolarHBondContact O-N 3.29Å
151	W	89.4	Confident	90.1	Very high	6 Å²	6	35.2 Å²	35.2	2%	0.023	17%	0.167	C	C	.	.			trans	-79.5	106.2	-177.1	-83.5	25.8	0	0	0	112.9	L146 Y149 F154 W179 K208 V210 H236 I238	L146-W151 HydrophobicContact CD2-CB 4.13Å; L146-W151 HydrophobicContact CD2-CD2 4.18Å; L146-W151 HydrophobicContact CD2-CE3 3.6Å; L146-W151 HydrophobicContact CD2-CG 4.44Å; L146-W151 HydrophobicContact CD2-CZ3 4.34Å; L146-W151 PolarHBondContact O-N 2.93Å; Y149-W151 VanDerWaalsContact C-N 3.3Å; Y149-W151 VanDerWaalsContact CB-CD1 3.44Å; Y149-W151 VanDerWaalsContact O-CD1 3.26Å; Y149-W151 PolarHBondContact O-N 3.29Å; W151-F154 HydrophobicContact CB-CD1 4.05Å; W151-F154 HydrophobicContact CB-CE1 4.41Å; W151-F154 HydrophobicContact CE3-CB 3.7Å; W151-F154 HydrophobicContact CE3-CD1 4.06Å; W151-F154 AromaticContact CE3-CG 3.91Å; W151-F154 HydrophobicContact CE3-CG 3.91Å; W151-F154 HydrophobicContact CZ3-CB 4.03Å; W151-F154 HydrophobicContact CZ3-CG 4.49Å; W151-W179 PolarHBondContact O-NE1 3.1Å; W151-K208 VanDerWaalsContact CD1-NZ 3.27Å; W151-K208 HydrophobicContact CD2-CB 4.27Å; W151-K208 HydrophobicContact CD2-CD 3.8Å; W151-K208 HydrophobicContact CD2-CG 4.25Å; W151-K208 HydrophobicContact CE3-CB 4.03Å; W151-K208 HydrophobicContact CE3-CD 4.36Å; W151-K208 HydrophobicContact CG-CD 4.02Å; W151-K208 HydrophobicContact CH2-CB 3.79Å; W151-K208 HydrophobicContact CH2-CG 4.13Å; W151-K208 HydrophobicContact CZ2-CB 4.03Å; W151-K208 HydrophobicContact CZ2-CD 4.2Å; W151-K208 HydrophobicContact CZ2-CG 3.84Å; W151-K208 HydrophobicContact CZ3-CB 3.79Å; W151-K208 HydrophobicContact CZ3-CG 4.46Å; W151-V210 HydrophobicContact CE3-CG2 4.33Å; W151-V210 HydrophobicContact CZ3-CG2 3.88Å; W151-H236 HydrophobicContact CH2-CB 4.25Å; W151-H236 HydrophobicContact CZ2-CB 3.85Å; W151-H236 AromaticContact CZ2-CG 3.6Å; W151-H236 AromaticContact CZ2-ND1 3.61Å; W151-I238 HydrophobicContact CE3-CD1 4.07Å; W151-I238 HydrophobicContact CH2-CD1 3.78Å; W151-I238 HydrophobicContact CH2-CG1 3.65Å; W151-I238 HydrophobicContact CZ2-CD1 4.25Å; W151-I238 HydrophobicContact CZ2-CG1 4.34Å; W151-I238 HydrophobicContact CZ3-CD1 3.67Å; W151-I238 HydrophobicContact CZ3-CG1 3.87Å
152	N	84.4	Confident	89.4	Confident	105 Å²	105	36.7 Å²	36.7	56%	0.561	17%	0.173	S	C	*	.	S	Bend	trans	-94	-20	176	62.9	-5.7	0	0	0	115.1	E150 W179 Q180	E150-N152 PolarHBondContact O-N 3.29Å; N152-W179 CarbonylContact O-C 3.54Å; N152-W179 WeakPolarHBondContact O-CA 3.34Å; N152-Q180 PolarHBondContact O-N 3.43Å
153	R	88.7	Confident	88.7	Confident	104 Å²	104	37.6 Å²	37.6	39%	0.392	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	128.7	178.4	177.8	174.7	174.8	158.2	-11.4	110.4	Q180 E206 K208	R153-Q180 WeakPolarHBondContact CA-O 3.49Å; R153-Q180 HydrophobicContact CB-CB 4.07Å; R153-Q180 HydrophobicContact CG-CB 3.99Å; R153-E206 IonicContact CZ-OE1 2.74Å; R153-E206 IonicContact NE-OE1 2.64Å; R153-E206 PolarHBondContact NE-OE1 3.37Å; R153-E206 IonicContact NE-OE2 3.9Å; R153-E206 PolarHBondContact NE-OE2 3.32Å; R153-E206 IonicContact NH2-OE1 3.4Å; R153-E206 PolarHBondContact NH2-OE1 3.11Å; R153-K208 WeakPolarHBondContact O-CD 3.48Å
154	F	93.9	Very high	88.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	163.1	179.1	56.4	-88.5	0	0	0	112.1	L146 W151 I170 W179 Q180 V181 S182 K208 V210	L146-F154 HydrophobicContact CD1-CE1 4.49Å; L146-F154 HydrophobicContact CD1-CE2 4.4Å; L146-F154 HydrophobicContact CD1-CZ 3.9Å; L146-F154 HydrophobicContact CD2-CD1 4.44Å; L146-F154 HydrophobicContact CD2-CE1 4.12Å; L146-F154 HydrophobicContact CD2-CE2 4.46Å; L146-F154 HydrophobicContact CD2-CZ 4.13Å; W151-F154 HydrophobicContact CB-CD1 4.05Å; W151-F154 HydrophobicContact CB-CE1 4.41Å; W151-F154 HydrophobicContact CE3-CB 3.7Å; W151-F154 HydrophobicContact CE3-CD1 4.06Å; W151-F154 AromaticContact CE3-CG 3.91Å; W151-F154 HydrophobicContact CE3-CG 3.91Å; W151-F154 HydrophobicContact CZ3-CB 4.03Å; W151-F154 HydrophobicContact CZ3-CG 4.49Å; F154-I170 HydrophobicContact CE2-CG2 4.15Å; F154-I170 HydrophobicContact CZ-CG2 4Å; F154-W179 HydrophobicContact CE1-CD2 4.39Å; F154-W179 HydrophobicContact CE1-CE3 4.03Å; F154-W179 HydrophobicContact CE1-CZ3 4.48Å; F154-W179 HydrophobicContact CZ-CE3 4.12Å; F154-W179 HydrophobicContact CZ-CZ3 4.39Å; F154-Q180 PolarHBondContact N-O 3.15Å; F154-V181 HydrophobicContact CD2-CG1 4.28Å; F154-V181 HydrophobicContact CE1-CG2 3.96Å; F154-V181 HydrophobicContact CE2-CG1 3.82Å; F154-V181 HydrophobicContact CE2-CG2 3.97Å; F154-V181 HydrophobicContact CZ-CG1 4.3Å; F154-V181 HydrophobicContact CZ-CG2 3.59Å; F154-V181 WeakPolarHBondContact O-CA 3.38Å; F154-S182 PolarHBondContact O-N 3.27Å; F154-K208 WeakPolarHBondContact CA-O 3.42Å; F154-K208 HydrophobicContact CB-CB 3.84Å; F154-V210 HydrophobicContact CD2-CB 4.49Å; F154-V210 HydrophobicContact CD2-CG2 3.73Å; F154-V210 HydrophobicContact CE2-CG2 4Å; F154-V210 HydrophobicContact CG-CG2 4.47Å
155	V	95.3	Very high	88.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.9	171.6	-176.8	0	0	0	0	109.1	L157 S182 I184 L201 E206 K208 F209 V210	V155-L157 HydrophobicContact CG1-CD2 3.68Å; V155-L157 HydrophobicContact CG1-CG 4.13Å; V155-S182 WeakPolarHBondContact CA-O 3.31Å; V155-I184 HydrophobicContact CG1-CD1 4.07Å; V155-I184 HydrophobicContact CG1-CG1 4.48Å; V155-L201 HydrophobicContact CG1-CD1 4.04Å; V155-L201 HydrophobicContact CG2-CD1 4.4Å; V155-L201 HydrophobicContact CG2-CD2 4.04Å; V155-E206 HydrophobicContact CG2-CB 3.76Å; V155-E206 HydrophobicContact CG2-CG 3.78Å; V155-K208 PolarHBondContact N-O 3.37Å; V155-F209 HydrophobicContact CB-CD1 3.91Å; V155-F209 HydrophobicContact CB-CE1 4.13Å; V155-F209 HydrophobicContact CG1-CD1 4.26Å; V155-F209 HydrophobicContact CG1-CE1 4.39Å; V155-F209 HydrophobicContact CG2-CD1 4.45Å; V155-F209 HydrophobicContact CG2-CE1 4.21Å; V155-F209 CarbonylContact O-C 3.55Å; V155-F209 WeakPolarHBondContact O-CA 3.17Å; V155-V210 PolarHBondContact O-N 3.28Å
156	F	95.1	Very high	88	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	102.4	174.9	-178.5	-105.1	0	0	0	108.9	Y158 I166 L167 I170 V181 S182 A183 I184 V210 D212	F156-Y158 AromaticContact CD1-CD1 3.73Å; F156-Y158 HydrophobicContact CD1-CD1 3.73Å; F156-Y158 HydrophobicContact CD1-CG 4.09Å; F156-Y158 AromaticContact CE1-CD1 3.84Å; F156-Y158 HydrophobicContact CE1-CD1 3.84Å; F156-Y158 AromaticContact CE1-CG 3.72Å; F156-Y158 HydrophobicContact CE1-CG 3.72Å; F156-I166 HydrophobicContact CE2-CG2 4.18Å; F156-I166 HydrophobicContact CZ-CG2 4Å; F156-L167 HydrophobicContact CD1-CD1 3.64Å; F156-L167 HydrophobicContact CE1-CB 3.84Å; F156-L167 HydrophobicContact CE1-CD1 3.62Å; F156-L167 HydrophobicContact CE1-CG 4.28Å; F156-L167 HydrophobicContact CZ-CB 4.46Å; F156-I170 HydrophobicContact CD2-CD1 3.52Å; F156-I170 HydrophobicContact CE2-CD1 3.3Å; F156-I170 HydrophobicContact CG-CD1 4.31Å; F156-I170 HydrophobicContact CZ-CD1 3.9Å; F156-V181 HydrophobicContact CB-CG1 3.92Å; F156-S182 PolarHBondContact N-O 3.16Å; F156-A183 HydrophobicContact CB-CB 4.49Å; F156-A183 HydrophobicContact CD1-CB 4.23Å; F156-A183 CarbonylContact O-C 3.22Å; F156-A183 WeakPolarHBondContact O-CA 3.47Å; F156-I184 PolarHBondContact O-N 3.14Å; F156-V210 HydrophobicContact CD2-CB 3.86Å; F156-V210 HydrophobicContact CD2-CG1 3.69Å; F156-V210 HydrophobicContact CE2-CG1 3.9Å; F156-D212 HydrophobicContact CE2-CB 3.84Å; F156-D212 HydrophobicContact CZ-CB 3.69Å; F156-D212 WeakPolarHBondContact CZ-OD2 3.34Å
157	L	93.7	Very high	87.9	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.5	176.1	-59.1	-176.9	0	0	0	108.2	V155 I184 V186 L197 F209 V210 I211 D212 L221	V155-L157 HydrophobicContact CG1-CD2 3.68Å; V155-L157 HydrophobicContact CG1-CG 4.13Å; L157-I184 WeakPolarHBondContact CA-O 3.33Å; L157-I184 HydrophobicContact CD2-CB 3.97Å; L157-I184 HydrophobicContact CD2-CD1 4.44Å; L157-V186 HydrophobicContact CB-CG1 4.4Å; L157-V186 HydrophobicContact CD2-CG1 4.34Å; L157-L197 HydrophobicContact CD2-CD2 4.16Å; L157-F209 HydrophobicContact CD1-CD1 4.28Å; L157-V210 PolarHBondContact N-O 3.01Å; L157-I211 HydrophobicContact CD1-CG1 4.45Å; L157-I211 WeakPolarHBondContact O-CA 3.34Å; L157-D212 PolarHBondContact O-N 2.86Å; L157-L221 HydrophobicContact CD1-CD1 4.3Å; L157-L221 HydrophobicContact CD1-CD2 3.97Å
158	Y	91.6	Very high	88	Confident	39 Å²	39	45.2 Å²	45.2	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.2	-172.3	75.8	-83.9	0	0	0	114.7	F156 T160 Y164 L167 A183 I184 C185 V186 D212	F156-Y158 AromaticContact CD1-CD1 3.73Å; F156-Y158 HydrophobicContact CD1-CD1 3.73Å; F156-Y158 HydrophobicContact CD1-CG 4.09Å; F156-Y158 AromaticContact CE1-CD1 3.84Å; F156-Y158 HydrophobicContact CE1-CD1 3.84Å; F156-Y158 AromaticContact CE1-CG 3.72Å; F156-Y158 HydrophobicContact CE1-CG 3.72Å; Y158-T160 HydrophobicContact CE2-CG2 4.33Å; Y158-Y164 HydrophobicContact CE2-CD1 4.37Å; Y158-Y164 HydrophobicContact CE2-CE1 4.25Å; Y158-L167 HydrophobicContact CD2-CD2 4.31Å; Y158-L167 HydrophobicContact CE1-CD1 4.46Å; Y158-L167 HydrophobicContact CE1-CD2 4.1Å; Y158-L167 HydrophobicContact CE2-CD2 3.82Å; Y158-A183 HydrophobicContact CD1-CB 4.4Å; Y158-A183 HydrophobicContact CE1-CB 4.04Å; Y158-I184 WeakPolarHBondContact CD1-O 3.25Å; Y158-I184 PolarHBondContact N-O 2.74Å; Y158-C185 HydrophobicContact CE1-CB 4.14Å; Y158-C185 HydrophobicContact CE2-CB 4.11Å; Y158-C185 WeakPolarHBondContact O-CA 3.3Å; Y158-V186 PolarHBondContact O-N 3.15Å; Y158-D212 WeakPolarHBondContact CA-O 3.42Å
159	D	88.6	Confident	88.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.196	C	C	.	.			trans	-104.2	146.4	177.5	-160.8	-31.1	0	0	0	110.3	D161 D212 C213 R217	D159-D161 WeakPolarHBondContact OD1-CB 3.37Å; D159-D161 VanDerWaalsContact OD1-CG 3.26Å; D159-D161 PolarHBondContact OD1-N 2.94Å; D159-D161 VanDerWaalsContact OD1-OD2 3.06Å; D159-D212 WeakPolarHBondContact CB-O 3.41Å; D159-D212 PolarHBondContact N-O 2.96Å; D159-C213 HydrophobicContact CB-CB 4.49Å; D159-R217 IonicContact OD1-CZ 2.69Å; D159-R217 IonicContact OD1-NH1 2.8Å; D159-R217 PolarHBondContact OD1-NH1 3.32Å; D159-R217 IonicContact OD2-CZ 3.43Å; D159-R217 VanDerWaalsContact OD2-CZ 3.28Å; D159-R217 IonicContact OD2-NE 2.93Å; D159-R217 IonicContact OD2-NH1 2.9Å; D159-R217 PolarHBondContact OD2-NH1 3.38Å; D159-R217 IonicContact OD2-NH2 3.18Å
160	T	84.8	Confident	88.2	Confident	16 Å²	16	38.7 Å²	38.7	10%	0.098	19%	0.185	C	C	.	.	S	Bend	trans	-90.6	-14	173.7	97.3	0	0	0	0	113.4	K100 Y158 R162 G163 Y164 C185 E187	K100-T160 WeakPolarHBondContact CD-O 3.39Å; K100-T160 PolarHBondContact NZ-O 3.33Å; K100-T160 PolarHBondContact NZ-OG1 2.91Å; Y158-T160 HydrophobicContact CE2-CG2 4.33Å; T160-R162 PolarHBondContact O-N 3.18Å; T160-G163 PolarHBondContact O-N 3.37Å; T160-Y164 WeakPolarHBondContact CB-OH 3.36Å; T160-Y164 HydrophobicContact CG2-CE1 3.96Å; T160-C185 VanDerWaalsContact CG2-SG 3.54Å; T160-E187 VanDerWaalsContact CB-OE2 3.3Å; T160-E187 WeakPolarHBondContact CB-OE2 3.22Å; T160-E187 WeakPolarHBondContact CG2-OE2 3.38Å; T160-E187 PolarHBondContact OG1-OE2 3.03Å
161	D	80.3	Confident	88.4	Confident	33 Å²	33	34.3 Å²	34.3	18%	0.176	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.5	-176.8	-64.7	-34.4	0	0	0	112.3	F122 D159 R217	F122-D161 WeakPolarHBondContact CE1-O 3.49Å; D159-D161 WeakPolarHBondContact OD1-CB 3.37Å; D159-D161 VanDerWaalsContact OD1-CG 3.26Å; D159-D161 PolarHBondContact OD1-N 2.94Å; D159-D161 VanDerWaalsContact OD1-OD2 3.06Å; D161-R217 IonicContact OD2-CZ 2.75Å; D161-R217 IonicContact OD2-NH1 3.97Å; D161-R217 PolarHBondContact OD2-NH1 3.41Å; D161-R217 VanDerWaalsContact OD2-NH1 3.15Å; D161-R217 IonicContact OD2-NH2 3.72Å; D161-R217 PolarHBondContact OD2-NH2 2.87Å
162	R	76.9	Confident	88.5	Confident	31 Å²	31	37.9 Å²	37.9	12%	0.117	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3	-179.6	-47.9	-155.9	-65.6	-162.3	7.1	114.7	T160 D212 C213 A240 N241	T160-R162 PolarHBondContact O-N 3.18Å; R162-D212 IonicContact CZ-OD1 2.69Å; R162-D212 IonicContact NE-OD1 3.53Å; R162-D212 PolarHBondContact NE-OD1 3.44Å; R162-D212 IonicContact NH2-OD1 2.87Å; R162-D212 PolarHBondContact NH2-OD1 3.36Å; R162-C213 PolarHBondContact NH1-O 3.42Å; R162-A240 PolarHBondContact NH2-O 3.43Å; R162-N241 VanDerWaalsContact CZ-OD1 3.26Å; R162-N241 PolarHBondContact NH1-OD1 3.18Å; R162-N241 PolarHBondContact NH2-OD1 3.24Å
163	G	79.3	Confident	88.8	Confident	20 Å²	20	35.1 Å²	35.1	21%	0.206	17%	0.165	C	C	.	.			trans	79.9	175.6	-174.2	0	0	0	0	0	114.1	T160	T160-G163 PolarHBondContact O-N 3.37Å
164	Y	84.7	Confident	88.9	Confident	109 Å²	109	30.6 Å²	30.6	43%	0.427	15%	0.151	S	C	.	.	S	Bend	trans	-101.2	3	-169.7	-55.6	-74.2	0	0	0	114.9	K100 Y158 T160 I166 L167 Q168	K100-Y164 PolarHBondContact NZ-OH 3.13Å; Y158-Y164 HydrophobicContact CE2-CD1 4.37Å; Y158-Y164 HydrophobicContact CE2-CE1 4.25Å; T160-Y164 WeakPolarHBondContact CB-OH 3.36Å; T160-Y164 HydrophobicContact CG2-CE1 3.96Å; Y164-I166 VanDerWaalsContact C-N 3.34Å; Y164-I166 PolarHBondContact O-N 3.49Å; Y164-L167 HydrophobicContact CD1-CD2 4.26Å; Y164-L167 WeakPolarHBondContact O-CB 3.35Å; Y164-L167 PolarHBondContact O-N 3.04Å; Y164-L167 VanDerWaalsContact O-N 3.16Å; Y164-Q168 PolarHBondContact O-N 2.99Å
165	S	85.7	Confident	88.6	Confident	26 Å²	26	33.7 Å²	33.7	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-52.6	-46.1	-174.9	174.4	0	0	0	0	113.4	E125 A169	E125-S165 VanDerWaalsContact CD-OG 3.31Å; E125-S165 WeakPolarHBondContact OE1-CB 3.37Å; E125-S165 PolarHBondContact OE1-OG 3.08Å; S165-A169 WeakPolarHBondContact O-CB 3.48Å; S165-A169 PolarHBondContact O-N 3.36Å
166	I	89.8	Confident	88.4	Confident	27 Å²	27	40.4 Å²	40.4	14%	0.138	21%	0.214	C	C	.	.	H	α-helix	trans	-69	-44	-179.1	-61.2	176.3	0	0	0	110.8	L138 L142 F156 Y164 A169 I170 D212	L138-I166 HydrophobicContact CB-CD1 4.31Å; L138-I166 HydrophobicContact CD2-CD1 4.26Å; L142-I166 HydrophobicContact CD2-CG2 3.6Å; F156-I166 HydrophobicContact CE2-CG2 4.18Å; F156-I166 HydrophobicContact CZ-CG2 4Å; Y164-I166 VanDerWaalsContact C-N 3.34Å; Y164-I166 PolarHBondContact O-N 3.49Å; I166-A169 PolarHBondContact O-N 2.85Å; I166-I170 HydrophobicContact CG2-CD1 3.99Å; I166-I170 WeakPolarHBondContact O-CG1 3.24Å; I166-I170 PolarHBondContact O-N 3.04Å; I166-D212 WeakPolarHBondContact CB-OD2 3.18Å
167	L	90.9	Very high	88	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.131	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-48.3	176	175.5	62.3	0	0	0	111.4	F156 Y158 Y164 A169 I170 M171 A183	F156-L167 HydrophobicContact CD1-CD1 3.64Å; F156-L167 HydrophobicContact CE1-CB 3.84Å; F156-L167 HydrophobicContact CE1-CD1 3.62Å; F156-L167 HydrophobicContact CE1-CG 4.28Å; F156-L167 HydrophobicContact CZ-CB 4.46Å; Y158-L167 HydrophobicContact CD2-CD2 4.31Å; Y158-L167 HydrophobicContact CE1-CD1 4.46Å; Y158-L167 HydrophobicContact CE1-CD2 4.1Å; Y158-L167 HydrophobicContact CE2-CD2 3.82Å; Y164-L167 HydrophobicContact CD1-CD2 4.26Å; Y164-L167 WeakPolarHBondContact O-CB 3.35Å; Y164-L167 PolarHBondContact O-N 3.04Å; Y164-L167 VanDerWaalsContact O-N 3.16Å; L167-A169 PolarHBondContact O-N 3.36Å; L167-I170 PolarHBondContact O-N 3.42Å; L167-M171 HydrophobicContact CD1-CE 3.83Å; L167-M171 HydrophobicContact CD1-CG 4.2Å; L167-M171 WeakPolarHBondContact O-CG 3.46Å; L167-M171 PolarHBondContact O-N 3.33Å; L167-A183 HydrophobicContact CD1-CB 3.75Å
168	Q	90.5	Very high	87.7	Confident	97 Å²	97	48.6 Å²	48.6	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-46.3	178.6	179.4	175.7	-27.6	0	0	111	Y164 I170 M171 E172	Y164-Q168 PolarHBondContact O-N 2.99Å; Q168-I170 VanDerWaalsContact C-N 3.32Å; Q168-I170 PolarHBondContact O-N 3.33Å; Q168-M171 PolarHBondContact O-N 3.27Å; Q168-M171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.32Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.37Å; Q168-E172 PolarHBondContact NE2-OE1 3.15Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 WeakPolarHBondContact O-CG 3.32Å; Q168-E172 PolarHBondContact O-N 3.02Å
169	A	89.9	Confident	87.7	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-39.5	178.1	0	0	0	0	0	113.4	R139 L143 S165 I166 L167 K173	R139-A169 HydrophobicContact CG-CB 3.55Å; R139-A169 VanDerWaalsContact CZ-CB 3.46Å; R139-A169 VanDerWaalsContact NE-CB 3.28Å; L143-A169 HydrophobicContact CD1-CB 4.31Å; S165-A169 WeakPolarHBondContact O-CB 3.48Å; S165-A169 PolarHBondContact O-N 3.36Å; I166-A169 PolarHBondContact O-N 2.85Å; L167-A169 PolarHBondContact O-N 3.36Å; A169-K173 WeakPolarHBondContact O-CB 3.3Å; A169-K173 PolarHBondContact O-N 3.37Å; A169-K173 VanDerWaalsContact O-N 3.12Å
170	I	91.8	Very high	87.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-40.5	175.5	-70.2	168.7	0	0	0	110.7	L142 L143 F154 F156 I166 L167 Q168 K173 A174 V181	L142-I170 HydrophobicContact CD2-CD1 3.98Å; L143-I170 HydrophobicContact CD2-CG1 4.14Å; F154-I170 HydrophobicContact CE2-CG2 4.15Å; F154-I170 HydrophobicContact CZ-CG2 4Å; F156-I170 HydrophobicContact CD2-CD1 3.52Å; F156-I170 HydrophobicContact CE2-CD1 3.3Å; F156-I170 HydrophobicContact CG-CD1 4.31Å; F156-I170 HydrophobicContact CZ-CD1 3.9Å; I166-I170 HydrophobicContact CG2-CD1 3.99Å; I166-I170 WeakPolarHBondContact O-CG1 3.24Å; I166-I170 PolarHBondContact O-N 3.04Å; L167-I170 PolarHBondContact O-N 3.42Å; Q168-I170 VanDerWaalsContact C-N 3.32Å; Q168-I170 PolarHBondContact O-N 3.33Å; I170-K173 PolarHBondContact O-N 3.25Å; I170-A174 WeakPolarHBondContact O-CB 3.31Å; I170-A174 PolarHBondContact O-N 2.6Å; I170-V181 HydrophobicContact CG2-CG1 4.11Å; I170-V181 HydrophobicContact CG2-CG2 4.13Å
171	M	91.3	Very high	88.1	Confident	76 Å²	76	54.4 Å²	54.4	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-70.1	-39.7	179.3	-68.5	-63	161.6	0	0	112.7	L167 Q168 K173 A174 G175 V181 A183	L167-M171 HydrophobicContact CD1-CE 3.83Å; L167-M171 HydrophobicContact CD1-CG 4.2Å; L167-M171 WeakPolarHBondContact O-CG 3.46Å; L167-M171 PolarHBondContact O-N 3.33Å; Q168-M171 PolarHBondContact O-N 3.27Å; Q168-M171 VanDerWaalsContact O-N 3.14Å; M171-K173 VanDerWaalsContact C-N 3.34Å; M171-K173 PolarHBondContact O-N 2.98Å; M171-A174 PolarHBondContact O-N 3.48Å; M171-G175 PolarHBondContact O-N 2.96Å; M171-V181 HydrophobicContact CE-CB 4.03Å; M171-V181 HydrophobicContact CE-CG1 3.73Å; M171-A183 HydrophobicContact CE-CB 3.53Å
172	E	91.8	Very high	88.6	Confident	81 Å²	81	54.8 Å²	54.8	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-56.9	-47.7	170.6	-74.1	169.4	-177.4	0	0	111	R139 Q168 G175 Q176	R139-E172 IonicContact CZ-OE2 3.27Å; R139-E172 IonicContact NH2-OE2 2.69Å; R139-E172 PolarHBondContact NH2-OE2 3.47Å; Q168-E172 HydrophobicContact CG-CG 4.32Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.37Å; Q168-E172 PolarHBondContact NE2-OE1 3.15Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 WeakPolarHBondContact O-CG 3.32Å; Q168-E172 PolarHBondContact O-N 3.02Å; E172-G175 PolarHBondContact O-N 2.94Å; E172-Q176 WeakPolarHBondContact O-CG 3.42Å; E172-Q176 PolarHBondContact O-N 3.02Å
173	K	89.7	Confident	89.3	Confident	47 Å²	47	55.3 Å²	55.3	20%	0.204	31%	0.309	C	S	.	.	H	α-helix	trans	-69.1	-36.5	178.5	-167.7	61.8	168.2	163.5	0	112.5	L143 A169 I170 M171 G175 Q176 N177 W179	L143-K173 HydrophobicContact CD2-CB 4Å; L143-K173 HydrophobicContact CD2-CG 4.17Å; A169-K173 WeakPolarHBondContact O-CB 3.3Å; A169-K173 PolarHBondContact O-N 3.37Å; A169-K173 VanDerWaalsContact O-N 3.12Å; I170-K173 PolarHBondContact O-N 3.25Å; M171-K173 VanDerWaalsContact C-N 3.34Å; M171-K173 PolarHBondContact O-N 2.98Å; K173-G175 VanDerWaalsContact C-N 3.34Å; K173-G175 PolarHBondContact O-N 3.05Å; K173-Q176 PolarHBondContact O-N 3.28Å; K173-N177 WeakPolarHBondContact CE-ND2 3.28Å; K173-N177 WeakPolarHBondContact O-CB 3.5Å; K173-N177 PolarHBondContact O-N 3.44Å; K173-W179 HydrophobicContact CB-CH2 4.47Å; K173-W179 HydrophobicContact CB-CZ3 4.02Å; K173-W179 HydrophobicContact CG-CE3 4.3Å; K173-W179 HydrophobicContact CG-CH2 3.58Å; K173-W179 HydrophobicContact CG-CZ2 4.22Å; K173-W179 HydrophobicContact CG-CZ3 3.62Å
174	A	90.6	Very high	89.9	Confident	10 Å²	10	56.1 Å²	56.1	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-38.3	176.3	0	0	0	0	0	112.2	I170 M171 Q176 S178 W179 V181	I170-A174 WeakPolarHBondContact O-CB 3.31Å; I170-A174 PolarHBondContact O-N 2.6Å; M171-A174 PolarHBondContact O-N 3.48Å; A174-Q176 VanDerWaalsContact C-N 3.35Å; A174-S178 CarbonylContact O-C 3.43Å; A174-S178 VanDerWaalsContact O-CA 3.25Å; A174-S178 WeakPolarHBondContact O-CA 3.39Å; A174-S178 PolarHBondContact O-N 2.89Å; A174-W179 HydrophobicContact CB-CB 3.83Å; A174-W179 HydrophobicContact CB-CE3 4.32Å; A174-W179 PolarHBondContact O-N 3.46Å; A174-V181 HydrophobicContact CB-CG2 3.91Å
175	G	89.1	Confident	90.2	Very high	64 Å²	64	52.9 Å²	52.9	66%	0.66	30%	0.302	S	S	*	.	H	α-helix	trans	-63.5	-37.5	173.1	0	0	0	0	0	113.2	M171 E172 K173	M171-G175 PolarHBondContact O-N 2.96Å; E172-G175 PolarHBondContact O-N 2.94Å; K173-G175 VanDerWaalsContact C-N 3.34Å; K173-G175 PolarHBondContact O-N 3.05Å
176	Q	89.8	Confident	90.3	Very high	142 Å²	142	51.7 Å²	51.7	66%	0.664	29%	0.293	S	S	*	.	H	α-helix	trans	-71.9	-47.9	176.6	-66.7	173.1	0.7	0	0	112.6	E172 K173 A174	E172-Q176 WeakPolarHBondContact O-CG 3.42Å; E172-Q176 PolarHBondContact O-N 3.02Å; K173-Q176 PolarHBondContact O-N 3.28Å; A174-Q176 VanDerWaalsContact C-N 3.35Å
177	N	87.1	Confident	89.7	Confident	67 Å²	67	53 Å²	53	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-93.8	5.1	-172.7	-71.4	4.3	0	0	0	113.6	K173 W179	K173-N177 WeakPolarHBondContact CE-ND2 3.28Å; K173-N177 WeakPolarHBondContact O-CB 3.5Å; K173-N177 PolarHBondContact O-N 3.44Å; N177-W179 VanDerWaalsContact C-N 3.32Å; N177-W179 HydrophobicContact CB-CD2 4.19Å; N177-W179 HydrophobicContact CB-CG 4.13Å; N177-W179 HydrophobicContact CB-CZ2 4.4Å; N177-W179 VanDerWaalsContact CB-NE1 3.34Å; N177-W179 WeakPolarHBondContact ND2-CZ2 3.42Å; N177-W179 PolarHBondContact O-N 2.89Å
178	S	87.6	Confident	89	Confident	106 Å²	106	58.4 Å²	58.4	74%	0.741	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	39.8	-174.7	-59.9	0	0	0	0	114.5	A174	A174-S178 CarbonylContact O-C 3.43Å; A174-S178 VanDerWaalsContact O-CA 3.25Å; A174-S178 WeakPolarHBondContact O-CA 3.39Å; A174-S178 PolarHBondContact O-N 2.89Å
179	W	91.3	Very high	88.5	Confident	31 Å²	31	56.6 Å²	56.6	12%	0.117	32%	0.319	C	S	.	.			trans	-75.3	142.5	179.3	-63.2	-16.9	0	0	0	112.7	L143 L146 D147 W151 N152 F154 K173 A174 N177 V181	L143-W179 HydrophobicContact CD2-CZ3 4.47Å; L146-W179 HydrophobicContact CB-CH2 3.98Å; L146-W179 HydrophobicContact CB-CZ3 4.47Å; L146-W179 HydrophobicContact CD1-CZ3 4.24Å; D147-W179 VanDerWaalsContact OD1-CZ2 3.32Å; D147-W179 WeakPolarHBondContact OD1-CZ2 3.48Å; W151-W179 PolarHBondContact O-NE1 3.1Å; N152-W179 CarbonylContact O-C 3.54Å; N152-W179 WeakPolarHBondContact O-CA 3.34Å; F154-W179 HydrophobicContact CE1-CD2 4.39Å; F154-W179 HydrophobicContact CE1-CE3 4.03Å; F154-W179 HydrophobicContact CE1-CZ3 4.48Å; F154-W179 HydrophobicContact CZ-CE3 4.12Å; F154-W179 HydrophobicContact CZ-CZ3 4.39Å; K173-W179 HydrophobicContact CB-CH2 4.47Å; K173-W179 HydrophobicContact CB-CZ3 4.02Å; K173-W179 HydrophobicContact CG-CE3 4.3Å; K173-W179 HydrophobicContact CG-CH2 3.58Å; K173-W179 HydrophobicContact CG-CZ2 4.22Å; K173-W179 HydrophobicContact CG-CZ3 3.62Å; A174-W179 HydrophobicContact CB-CB 3.83Å; A174-W179 HydrophobicContact CB-CE3 4.32Å; A174-W179 PolarHBondContact O-N 3.46Å; N177-W179 VanDerWaalsContact C-N 3.32Å; N177-W179 HydrophobicContact CB-CD2 4.19Å; N177-W179 HydrophobicContact CB-CG 4.13Å; N177-W179 HydrophobicContact CB-CZ2 4.4Å; N177-W179 VanDerWaalsContact CB-NE1 3.34Å; N177-W179 WeakPolarHBondContact ND2-CZ2 3.42Å; N177-W179 PolarHBondContact O-N 2.89Å; W179-V181 HydrophobicContact CB-CG2 4.01Å; W179-V181 PolarHBondContact O-N 3.44Å
180	Q	89.1	Confident	88.2	Confident	120 Å²	120	62.1 Å²	62.1	56%	0.561	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	86.9	173.3	-66.5	-175.2	-2.8	0	0	110.2	N152 R153 F154	N152-Q180 PolarHBondContact O-N 3.43Å; R153-Q180 WeakPolarHBondContact CA-O 3.49Å; R153-Q180 HydrophobicContact CB-CB 4.07Å; R153-Q180 HydrophobicContact CG-CB 3.99Å; F154-Q180 PolarHBondContact N-O 3.15Å
181	V	92.6	Very high	87.8	Confident	27 Å²	27	65.5 Å²	65.5	16%	0.164	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.1	-179.1	-173.2	0	0	0	0	110.8	F154 F156 I170 M171 A174 W179	F154-V181 HydrophobicContact CD2-CG1 4.28Å; F154-V181 HydrophobicContact CE1-CG2 3.96Å; F154-V181 HydrophobicContact CE2-CG1 3.82Å; F154-V181 HydrophobicContact CE2-CG2 3.97Å; F154-V181 HydrophobicContact CZ-CG1 4.3Å; F154-V181 HydrophobicContact CZ-CG2 3.59Å; F154-V181 WeakPolarHBondContact O-CA 3.38Å; F156-V181 HydrophobicContact CB-CG1 3.92Å; I170-V181 HydrophobicContact CG2-CG1 4.11Å; I170-V181 HydrophobicContact CG2-CG2 4.13Å; M171-V181 HydrophobicContact CE-CB 4.03Å; M171-V181 HydrophobicContact CE-CG1 3.73Å; A174-V181 HydrophobicContact CB-CG2 3.91Å; W179-V181 HydrophobicContact CB-CG2 4.01Å; W179-V181 PolarHBondContact O-N 3.44Å
182	S	91.9	Very high	87.6	Confident	41 Å²	41	64.6 Å²	64.6	29%	0.287	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	95.9	169.8	-67.2	0	0	0	0	110	F154 V155 F156	F154-S182 PolarHBondContact O-N 3.27Å; V155-S182 WeakPolarHBondContact CA-O 3.31Å; F156-S182 PolarHBondContact N-O 3.16Å
183	A	92.2	Very high	87.4	Confident	41 Å²	41	62.7 Å²	62.7	34%	0.339	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.3	177.8	0	0	0	0	0	111.8	F156 Y158 L167 M171	F156-A183 HydrophobicContact CB-CB 4.49Å; F156-A183 HydrophobicContact CD1-CB 4.23Å; F156-A183 CarbonylContact O-C 3.22Å; F156-A183 WeakPolarHBondContact O-CA 3.47Å; Y158-A183 HydrophobicContact CD1-CB 4.4Å; Y158-A183 HydrophobicContact CE1-CB 4.04Å; L167-A183 HydrophobicContact CD1-CB 3.75Å; M171-A183 HydrophobicContact CE-CB 3.53Å
184	I	91.9	Very high	87.3	Confident	37 Å²	37	60.6 Å²	60.6	19%	0.19	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.2	-174.9	-50.6	-178.5	0	0	0	109.2	V155 F156 L157 Y158 L197 L201	V155-I184 HydrophobicContact CG1-CD1 4.07Å; V155-I184 HydrophobicContact CG1-CG1 4.48Å; F156-I184 PolarHBondContact O-N 3.14Å; L157-I184 WeakPolarHBondContact CA-O 3.33Å; L157-I184 HydrophobicContact CD2-CB 3.97Å; L157-I184 HydrophobicContact CD2-CD1 4.44Å; Y158-I184 WeakPolarHBondContact CD1-O 3.25Å; Y158-I184 PolarHBondContact N-O 2.74Å; I184-L197 HydrophobicContact CD1-CD1 3.76Å; I184-L197 HydrophobicContact CG2-CD1 4.21Å; I184-L197 HydrophobicContact CG2-CD2 4.23Å; I184-L201 HydrophobicContact CD1-CD1 4.27Å; I184-L201 HydrophobicContact CD1-CD2 4.13Å
185	C	90.9	Very high	87.1	Confident	42 Å²	42	65.4 Å²	65.4	28%	0.284	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133	176	-179.3	0	0	0	0	110.5	Y158 T160 F189	Y158-C185 HydrophobicContact CE1-CB 4.14Å; Y158-C185 HydrophobicContact CE2-CB 4.11Å; Y158-C185 WeakPolarHBondContact O-CA 3.3Å; T160-C185 VanDerWaalsContact CG2-SG 3.54Å; C185-F189 VanDerWaalsContact O-CE1 3.26Å; C185-F189 WeakPolarHBondContact O-CE1 3.5Å
186	V	86.8	Confident	87.1	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.373	C	S	.	.			trans	-113.8	17	-175.7	-61	0	0	0	0	114.6	L157 Y158 F189 Y194 L197 C213	L157-V186 HydrophobicContact CB-CG1 4.4Å; L157-V186 HydrophobicContact CD2-CG1 4.34Å; Y158-V186 PolarHBondContact O-N 3.15Å; V186-F189 HydrophobicContact CB-CD1 4.45Å; V186-F189 HydrophobicContact CB-CG 4.46Å; V186-Y194 HydrophobicContact CB-CE1 3.99Å; V186-Y194 HydrophobicContact CG1-CE1 4.18Å; V186-Y194 PolarHBondContact O-OH 2.88Å; V186-L197 HydrophobicContact CG1-CD2 4.43Å; V186-C213 VanDerWaalsContact CG2-SG 3.57Å
187	E	77.1	Confident	87.1	Confident	54 Å²	54	65 Å²	65	25%	0.252	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-46.7	-172.6	-168	178	138.7	0	0	113.6	T160	T160-E187 VanDerWaalsContact CB-OE2 3.3Å; T160-E187 WeakPolarHBondContact CB-OE2 3.22Å; T160-E187 WeakPolarHBondContact CG2-OE2 3.38Å; T160-E187 PolarHBondContact OG1-OE2 3.03Å
188	N	76	Confident	87.2	Confident	140 Å²	140	62.1 Å²	62.1	75%	0.749	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	38.2	-175.6	-67.5	-50.2	0	0	0	113.4
189	F	79.6	Confident	87.2	Confident	58 Å²	58	61.3 Å²	61.3	25%	0.254	32%	0.316	S	S	.	.			trans	-99	113.8	-173.9	-86.5	56.4	0	0	0	112.8	C185 V186 Y194 L197	C185-F189 VanDerWaalsContact O-CE1 3.26Å; C185-F189 WeakPolarHBondContact O-CE1 3.5Å; V186-F189 HydrophobicContact CB-CD1 4.45Å; V186-F189 HydrophobicContact CB-CG 4.46Å; F189-Y194 HydrophobicContact CB-CD1 4.22Å; F189-Y194 HydrophobicContact CB-CD2 3.93Å; F189-Y194 HydrophobicContact CB-CE1 3.86Å; F189-Y194 HydrophobicContact CB-CE2 3.54Å; F189-Y194 HydrophobicContact CB-CG 4.25Å; F189-Y194 AromaticContact CD2-CD1 3.96Å; F189-Y194 HydrophobicContact CD2-CD1 3.96Å; F189-Y194 HydrophobicContact CD2-CE1 4.16Å; F189-Y194 HydrophobicContact CD2-CG 4.27Å; F189-Y194 HydrophobicContact CG-CD1 4.49Å; F189-Y194 HydrophobicContact CG-CE1 4.29Å; F189-Y194 VanDerWaalsContact O-CE2 3.22Å; F189-Y194 WeakPolarHBondContact O-CE2 3.44Å; F189-L197 HydrophobicContact CD2-CD2 4.41Å; F189-L197 HydrophobicContact CE2-CB 4.04Å; F189-L197 HydrophobicContact CE2-CD2 3.72Å; F189-L197 HydrophobicContact CE2-CG 4.4Å; F189-L197 HydrophobicContact CZ-CD2 4.36Å
190	N	83.9	Confident	87.1	Confident	120 Å²	120	63 Å²	63	64%	0.642	33%	0.328	S	S	*	.			trans	-75.2	160.1	163.1	-60.9	10.5	0	0	0	109.9	A192 S193 Y194	N190-A192 PolarHBondContact O-N 3.44Å; N190-A192 VanDerWaalsContact O-N 3.1Å; N190-S193 WeakPolarHBondContact O-CA 3.41Å; N190-S193 VanDerWaalsContact O-CB 3.28Å; N190-S193 WeakPolarHBondContact O-CB 3.28Å; N190-S193 PolarHBondContact O-N 3.48Å; N190-Y194 PolarHBondContact O-N 3.36Å
191	D	84.5	Confident	87.1	Confident	71 Å²	71	57.5 Å²	57.5	38%	0.38	30%	0.302	S	S	.	.	H	α-helix	trans	-46.8	-42.6	176.6	-69.8	23	0	0	0	114	S193 Y194 R195 N220 Q224	D191-S193 VanDerWaalsContact C-N 3.32Å; D191-S193 PolarHBondContact O-N 2.93Å; D191-Y194 PolarHBondContact O-N 2.96Å; D191-R195 WeakPolarHBondContact O-CG 3.3Å; D191-R195 PolarHBondContact O-N 3.13Å; D191-N220 PolarHBondContact OD1-ND2 3.43Å; D191-Q224 PolarHBondContact OD2-NE2 2.9Å
192	A	86.2	Confident	86.7	Confident	57 Å²	57	58 Å²	58	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-33.6	177	0	0	0	0	0	113.1	N190 R196	N190-A192 PolarHBondContact O-N 3.44Å; N190-A192 VanDerWaalsContact O-N 3.1Å; A192-R196 WeakPolarHBondContact O-CG 3.41Å; A192-R196 PolarHBondContact O-N 3.35Å; A192-R196 VanDerWaalsContact O-N 3.15Å
193	S	88	Confident	86.3	Confident	41 Å²	41	64.2 Å²	64.2	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-71.1	-40	174.8	-56.6	0	0	0	0	111.2	N190 D191 R196 L197	N190-S193 WeakPolarHBondContact O-CA 3.41Å; N190-S193 VanDerWaalsContact O-CB 3.28Å; N190-S193 WeakPolarHBondContact O-CB 3.28Å; N190-S193 PolarHBondContact O-N 3.48Å; D191-S193 VanDerWaalsContact C-N 3.32Å; D191-S193 PolarHBondContact O-N 2.93Å; S193-R196 PolarHBondContact O-N 3.16Å; S193-L197 WeakPolarHBondContact O-CB 3.25Å; S193-L197 PolarHBondContact O-N 3.45Å
194	Y	86.9	Confident	85.9	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-44.9	173	-78.1	-62.9	0	0	0	112	V186 F189 N190 D191 L197 L198 L221 Q224	V186-Y194 HydrophobicContact CB-CE1 3.99Å; V186-Y194 HydrophobicContact CG1-CE1 4.18Å; V186-Y194 PolarHBondContact O-OH 2.88Å; F189-Y194 HydrophobicContact CB-CD1 4.22Å; F189-Y194 HydrophobicContact CB-CD2 3.93Å; F189-Y194 HydrophobicContact CB-CE1 3.86Å; F189-Y194 HydrophobicContact CB-CE2 3.54Å; F189-Y194 HydrophobicContact CB-CG 4.25Å; F189-Y194 AromaticContact CD2-CD1 3.96Å; F189-Y194 HydrophobicContact CD2-CD1 3.96Å; F189-Y194 HydrophobicContact CD2-CE1 4.16Å; F189-Y194 HydrophobicContact CD2-CG 4.27Å; F189-Y194 HydrophobicContact CG-CD1 4.49Å; F189-Y194 HydrophobicContact CG-CE1 4.29Å; F189-Y194 VanDerWaalsContact O-CE2 3.22Å; F189-Y194 WeakPolarHBondContact O-CE2 3.44Å; N190-Y194 PolarHBondContact O-N 3.36Å; D191-Y194 PolarHBondContact O-N 2.96Å; Y194-L197 PolarHBondContact O-N 3.46Å; Y194-L198 VanDerWaalsContact O-CG 3.29Å; Y194-L198 WeakPolarHBondContact O-CG 3.41Å; Y194-L198 PolarHBondContact O-N 3.33Å; Y194-L221 HydrophobicContact CD1-CD1 3.73Å; Y194-L221 HydrophobicContact CE1-CB 4.35Å; Y194-L221 HydrophobicContact CE1-CD1 3.81Å; Y194-Q224 HydrophobicContact CD2-CG 4.37Å; Y194-Q224 HydrophobicContact CG-CG 4.38Å
195	R	87.1	Confident	85.4	Confident	111 Å²	111	69.7 Å²	69.7	42%	0.419	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-47.5	178.4	-66.1	179.9	-166.9	170.3	6.9	112.3	D191 L197 L198 E199 Q224 V228	D191-R195 WeakPolarHBondContact O-CG 3.3Å; D191-R195 PolarHBondContact O-N 3.13Å; R195-L197 VanDerWaalsContact C-N 3.33Å; R195-L197 PolarHBondContact O-N 3.01Å; R195-L198 PolarHBondContact O-N 3.06Å; R195-E199 WeakPolarHBondContact O-CG 3.3Å; R195-E199 PolarHBondContact O-N 2.86Å; R195-Q224 VanDerWaalsContact NE-OE1 3.08Å; R195-V228 HydrophobicContact CB-CG2 4.24Å; R195-V228 HydrophobicContact CG-CG2 3.74Å
196	R	89.3	Confident	85.2	Confident	173 Å²	173	68.2 Å²	68.2	65%	0.653	32%	0.321	S	S	*	.	H	α-helix	trans	-57.5	-44.2	175.2	-72.8	173.8	-177.5	173.9	1.7	112.1	A192 S193 E199 D200	A192-R196 WeakPolarHBondContact O-CG 3.41Å; A192-R196 PolarHBondContact O-N 3.35Å; A192-R196 VanDerWaalsContact O-N 3.15Å; S193-R196 PolarHBondContact O-N 3.16Å; R196-E199 PolarHBondContact O-N 3.12Å; R196-D200 PolarHBondContact O-N 2.87Å
197	L	90.3	Very high	85.2	Confident	25 Å²	25	69.6 Å²	69.6	13%	0.131	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-48	176.2	176.7	64.8	0	0	0	111.9	L157 I184 V186 F189 S193 Y194 R195 E199 D200 L201	L157-L197 HydrophobicContact CD2-CD2 4.16Å; I184-L197 HydrophobicContact CD1-CD1 3.76Å; I184-L197 HydrophobicContact CG2-CD1 4.21Å; I184-L197 HydrophobicContact CG2-CD2 4.23Å; V186-L197 HydrophobicContact CG1-CD2 4.43Å; F189-L197 HydrophobicContact CD2-CD2 4.41Å; F189-L197 HydrophobicContact CE2-CB 4.04Å; F189-L197 HydrophobicContact CE2-CD2 3.72Å; F189-L197 HydrophobicContact CE2-CG 4.4Å; F189-L197 HydrophobicContact CZ-CD2 4.36Å; S193-L197 WeakPolarHBondContact O-CB 3.25Å; S193-L197 PolarHBondContact O-N 3.45Å; Y194-L197 PolarHBondContact O-N 3.46Å; R195-L197 VanDerWaalsContact C-N 3.33Å; R195-L197 PolarHBondContact O-N 3.01Å; L197-E199 VanDerWaalsContact C-N 3.31Å; L197-E199 PolarHBondContact O-N 3.13Å; L197-D200 PolarHBondContact O-N 3.38Å; L197-L201 HydrophobicContact CD1-CD1 3.81Å; L197-L201 HydrophobicContact CD1-CG 4.07Å; L197-L201 HydrophobicContact CG-CD1 3.89Å; L197-L201 HydrophobicContact CG-CG 4.47Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.35Å; L197-L201 PolarHBondContact O-N 2.95Å
198	L	88.9	Confident	86	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-33.6	179.4	-68.8	169.9	0	0	0	112.4	Y194 R195 D202 Q224 I225 V228	Y194-L198 VanDerWaalsContact O-CG 3.29Å; Y194-L198 WeakPolarHBondContact O-CG 3.41Å; Y194-L198 PolarHBondContact O-N 3.33Å; R195-L198 PolarHBondContact O-N 3.06Å; L198-D202 WeakPolarHBondContact O-CB 3.28Å; L198-D202 PolarHBondContact O-N 3.12Å; L198-Q224 HydrophobicContact CD1-CB 4.36Å; L198-I225 HydrophobicContact CD1-CG1 3.99Å; L198-I225 HydrophobicContact CD2-CG1 3.94Å; L198-V228 HydrophobicContact CD1-CG2 4.17Å
199	E	87.7	Confident	86.9	Confident	90 Å²	90	63.7 Å²	63.7	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-68.1	-45.6	172.5	-74.4	173.8	-165.6	0	0	112.3	R195 R196 L197 L201 D202 R203 V228	R195-E199 WeakPolarHBondContact O-CG 3.3Å; R195-E199 PolarHBondContact O-N 2.86Å; R196-E199 PolarHBondContact O-N 3.12Å; L197-E199 VanDerWaalsContact C-N 3.31Å; L197-E199 PolarHBondContact O-N 3.13Å; E199-L201 PolarHBondContact O-N 3.3Å; E199-D202 PolarHBondContact O-N 3.09Å; E199-R203 WeakPolarHBondContact O-CG 3.23Å; E199-R203 PolarHBondContact O-N 3.3Å; E199-V228 HydrophobicContact CG-CG1 4.44Å
200	D	88.6	Confident	87.7	Confident	67 Å²	67	61 Å²	61	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-68.5	-32.5	178.8	-79.7	-24.3	0	0	0	112.9	R196 L197 R203 R204	R196-D200 PolarHBondContact O-N 2.87Å; L197-D200 PolarHBondContact O-N 3.38Å; D200-R203 IonicContact OD1-CZ 3.36Å; D200-R203 IonicContact OD1-NH1 2.83Å; D200-R203 PolarHBondContact OD1-NH1 3.23Å; D200-R204 WeakPolarHBondContact O-CG 3.05Å; D200-R204 PolarHBondContact O-N 3.47Å
201	L	88.9	Confident	88.2	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-72.6	-35.5	172.7	-66.9	176	0	0	0	112.1	V155 I184 L197 E199 R204 Q205 E206 F209	V155-L201 HydrophobicContact CG1-CD1 4.04Å; V155-L201 HydrophobicContact CG2-CD1 4.4Å; V155-L201 HydrophobicContact CG2-CD2 4.04Å; I184-L201 HydrophobicContact CD1-CD1 4.27Å; I184-L201 HydrophobicContact CD1-CD2 4.13Å; L197-L201 HydrophobicContact CD1-CD1 3.81Å; L197-L201 HydrophobicContact CD1-CG 4.07Å; L197-L201 HydrophobicContact CG-CD1 3.89Å; L197-L201 HydrophobicContact CG-CG 4.47Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.35Å; L197-L201 PolarHBondContact O-N 2.95Å; E199-L201 PolarHBondContact O-N 3.3Å; L201-R204 CarbonylContact O-C 3.57Å; L201-R204 PolarHBondContact O-N 3.08Å; L201-Q205 PolarHBondContact O-N 2.96Å; L201-E206 HydrophobicContact CB-CB 4.42Å; L201-E206 HydrophobicContact CD2-CG 4.32Å; L201-E206 PolarHBondContact O-N 3.21Å; L201-F209 HydrophobicContact CB-CZ 4.5Å; L201-F209 HydrophobicContact CD1-CE1 3.85Å
202	D	84.9	Confident	88.6	Confident	38 Å²	38	52 Å²	52	20%	0.203	23%	0.234	C	C	.	.	H	α-helix	trans	-70.3	-35.1	172.3	-167.8	27.1	0	0	0	112	L198 E199 R204 Q205 K207 K230 Y235	L198-D202 WeakPolarHBondContact O-CB 3.28Å; L198-D202 PolarHBondContact O-N 3.12Å; E199-D202 PolarHBondContact O-N 3.09Å; D202-R204 PolarHBondContact O-N 2.71Å; D202-Q205 WeakPolarHBondContact O-CA 3.34Å; D202-Q205 PolarHBondContact O-N 3.15Å; D202-Q205 PolarHBondContact O-NE2 2.93Å; D202-K207 IonicContact OD1-NZ 2.78Å; D202-K207 PolarHBondContact OD1-NZ 3.4Å; D202-K230 WeakPolarHBondContact OD2-CE 3.46Å; D202-K230 IonicContact OD2-NZ 2.69Å; D202-K230 PolarHBondContact OD2-NZ 3Å; D202-Y235 PolarHBondContact OD1-OH 3.22Å
203	R	83.8	Confident	88.7	Confident	171 Å²	171	49.3 Å²	49.3	65%	0.645	21%	0.212	S	C	*	.	H	α-helix	trans	-57	-37.2	169.2	-75.5	170.9	177	169	-4	112.1	E199 D200 Q205	E199-R203 WeakPolarHBondContact O-CG 3.23Å; E199-R203 PolarHBondContact O-N 3.3Å; D200-R203 IonicContact OD1-CZ 3.36Å; D200-R203 IonicContact OD1-NH1 2.83Å; D200-R203 PolarHBondContact OD1-NH1 3.23Å; R203-Q205 PolarHBondContact O-N 2.9Å
204	R	83.8	Confident	88.5	Confident	150 Å²	150	51.4 Å²	51.4	57%	0.566	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.8	173.7	-64.7	173	-167.9	-163.4	3.8	113.9	D200 L201 D202 E206	D200-R204 WeakPolarHBondContact O-CG 3.05Å; D200-R204 PolarHBondContact O-N 3.47Å; L201-R204 CarbonylContact O-C 3.57Å; L201-R204 PolarHBondContact O-N 3.08Å; D202-R204 PolarHBondContact O-N 2.71Å; R204-E206 VanDerWaalsContact C-N 3.26Å; R204-E206 HydrophobicContact CB-CG 4.09Å; R204-E206 PolarHBondContact O-N 2.68Å
205	Q	81.1	Confident	88.4	Confident	43 Å²	43	52 Å²	52	20%	0.201	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	33.5	-172.7	-63.4	-62.3	-52.1	0	0	114.1	L201 D202 R203 K207 Y491	L201-Q205 PolarHBondContact O-N 2.96Å; D202-Q205 WeakPolarHBondContact O-CA 3.34Å; D202-Q205 PolarHBondContact O-N 3.15Å; D202-Q205 PolarHBondContact O-NE2 2.93Å; R203-Q205 PolarHBondContact O-N 2.9Å; Q205-K207 PolarHBondContact O-N 2.8Å; Q205-Y491 HydrophobicContact CB-CD1 3.99Å; Q205-Y491 HydrophobicContact CB-CE1 3.79Å; Q205-Y491 HydrophobicContact CB-CG 4.47Å; Q205-Y491 HydrophobicContact CG-CD2 4.4Å; Q205-Y491 HydrophobicContact CG-CE1 4.31Å; Q205-Y491 HydrophobicContact CG-CE2 4.16Å
206	E	86.7	Confident	88.2	Confident	11 Å²	11	53.7 Å²	53.7	5%	0.051	23%	0.233	C	C	.	.			trans	-72.6	123.4	172.2	-61.7	-60.6	165	0	0	110.6	R153 V155 L201 R204 F209	R153-E206 IonicContact CZ-OE1 2.74Å; R153-E206 IonicContact NE-OE1 2.64Å; R153-E206 PolarHBondContact NE-OE1 3.37Å; R153-E206 IonicContact NE-OE2 3.9Å; R153-E206 PolarHBondContact NE-OE2 3.32Å; R153-E206 IonicContact NH2-OE1 3.4Å; R153-E206 PolarHBondContact NH2-OE1 3.11Å; V155-E206 HydrophobicContact CG2-CB 3.76Å; V155-E206 HydrophobicContact CG2-CG 3.78Å; L201-E206 HydrophobicContact CB-CB 4.42Å; L201-E206 HydrophobicContact CD2-CG 4.32Å; L201-E206 PolarHBondContact O-N 3.21Å; R204-E206 VanDerWaalsContact C-N 3.26Å; R204-E206 HydrophobicContact CB-CG 4.09Å; R204-E206 PolarHBondContact O-N 2.68Å; E206-F209 HydrophobicContact CB-CZ 4.39Å; E206-F209 WeakPolarHBondContact O-CE2 3.27Å
207	K	86.8	Confident	88	Confident	30 Å²	30	48.4 Å²	48.4	13%	0.13	21%	0.213	C	C	.	.			trans	-119.7	-10.2	-178.2	-50.6	-58.1	169.8	-171.5	0	114.4	D202 Q205 G234 Y235 H236	D202-K207 IonicContact OD1-NZ 2.78Å; D202-K207 PolarHBondContact OD1-NZ 3.4Å; Q205-K207 PolarHBondContact O-N 2.8Å; K207-G234 WeakPolarHBondContact CB-O 3.44Å; K207-Y235 HydrophobicContact CB-CD1 4.32Å; K207-Y235 HydrophobicContact CD-CD1 4.05Å; K207-Y235 HydrophobicContact CD-CD2 4.37Å; K207-Y235 HydrophobicContact CD-CE1 3.58Å; K207-Y235 HydrophobicContact CD-CE2 3.96Å; K207-Y235 HydrophobicContact CD-CG 4.41Å; K207-Y235 PolarHBondContact NZ-OH 2.97Å; K207-Y235 WeakPolarHBondContact O-CA 3.39Å; K207-H236 PolarHBondContact O-N 2.91Å
208	K	93.4	Very high	88	Confident	66 Å²	66	47.2 Å²	47.2	29%	0.287	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.3	-175.6	-69.9	178.9	172.4	-168.2	0	109.6	W151 R153 F154 V155	W151-K208 VanDerWaalsContact CD1-NZ 3.27Å; W151-K208 HydrophobicContact CD2-CB 4.27Å; W151-K208 HydrophobicContact CD2-CD 3.8Å; W151-K208 HydrophobicContact CD2-CG 4.25Å; W151-K208 HydrophobicContact CE3-CB 4.03Å; W151-K208 HydrophobicContact CE3-CD 4.36Å; W151-K208 HydrophobicContact CG-CD 4.02Å; W151-K208 HydrophobicContact CH2-CB 3.79Å; W151-K208 HydrophobicContact CH2-CG 4.13Å; W151-K208 HydrophobicContact CZ2-CB 4.03Å; W151-K208 HydrophobicContact CZ2-CD 4.2Å; W151-K208 HydrophobicContact CZ2-CG 3.84Å; W151-K208 HydrophobicContact CZ3-CB 3.79Å; W151-K208 HydrophobicContact CZ3-CG 4.46Å; R153-K208 WeakPolarHBondContact O-CD 3.48Å; F154-K208 WeakPolarHBondContact CA-O 3.42Å; F154-K208 HydrophobicContact CB-CB 3.84Å; V155-K208 PolarHBondContact N-O 3.37Å
209	F	95.3	Very high	87.9	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.3	-172.7	-65.8	-96.8	0	0	0	110.7	V155 L157 L201 E206 Y235 H236 Y237 I238	V155-F209 HydrophobicContact CB-CD1 3.91Å; V155-F209 HydrophobicContact CB-CE1 4.13Å; V155-F209 HydrophobicContact CG1-CD1 4.26Å; V155-F209 HydrophobicContact CG1-CE1 4.39Å; V155-F209 HydrophobicContact CG2-CD1 4.45Å; V155-F209 HydrophobicContact CG2-CE1 4.21Å; V155-F209 CarbonylContact O-C 3.55Å; V155-F209 WeakPolarHBondContact O-CA 3.17Å; L157-F209 HydrophobicContact CD1-CD1 4.28Å; L201-F209 HydrophobicContact CB-CZ 4.5Å; L201-F209 HydrophobicContact CD1-CE1 3.85Å; E206-F209 HydrophobicContact CB-CZ 4.39Å; E206-F209 WeakPolarHBondContact O-CE2 3.27Å; F209-Y235 HydrophobicContact CD2-CD1 4.34Å; F209-Y235 AromaticContact CE2-CD1 3.74Å; F209-Y235 HydrophobicContact CE2-CD1 3.74Å; F209-Y235 AromaticContact CE2-CE1 3.89Å; F209-Y235 HydrophobicContact CE2-CE1 3.89Å; F209-Y235 HydrophobicContact CZ-CE1 4.48Å; F209-H236 PolarHBondContact N-O 2.86Å; F209-Y237 HydrophobicContact CB-CD1 3.5Å; F209-Y237 VanDerWaalsContact CB-CD1 3.5Å; F209-Y237 HydrophobicContact CB-CE1 3.73Å; F209-Y237 HydrophobicContact CB-CG 4.46Å; F209-Y237 HydrophobicContact CD1-CE1 4.3Å; F209-Y237 HydrophobicContact CD2-CD1 4.13Å; F209-Y237 AromaticContact CD2-CE1 3.57Å; F209-Y237 HydrophobicContact CD2-CE1 3.57Å; F209-Y237 HydrophobicContact CE2-CE1 4.29Å; F209-Y237 AromaticContact CG-CD1 3.95Å; F209-Y237 HydrophobicContact CG-CD1 3.95Å; F209-Y237 AromaticContact CG-CE1 3.61Å; F209-Y237 HydrophobicContact CG-CE1 3.61Å; F209-Y237 CarbonylContact O-C 3.53Å; F209-Y237 WeakPolarHBondContact O-CA 3.42Å; F209-I238 PolarHBondContact O-N 2.9Å
210	V	95.8	Very high	88	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.3	166.8	-178.5	0	0	0	0	107	L142 L146 W151 F154 V155 F156 L157 I238	L142-V210 HydrophobicContact CD1-CG1 4.09Å; L142-V210 HydrophobicContact CD2-CG1 4.17Å; L146-V210 HydrophobicContact CD2-CG2 3.98Å; W151-V210 HydrophobicContact CE3-CG2 4.33Å; W151-V210 HydrophobicContact CZ3-CG2 3.88Å; F154-V210 HydrophobicContact CD2-CB 4.49Å; F154-V210 HydrophobicContact CD2-CG2 3.73Å; F154-V210 HydrophobicContact CE2-CG2 4Å; F154-V210 HydrophobicContact CG-CG2 4.47Å; V155-V210 PolarHBondContact O-N 3.28Å; F156-V210 HydrophobicContact CD2-CB 3.86Å; F156-V210 HydrophobicContact CD2-CG1 3.69Å; F156-V210 HydrophobicContact CE2-CG1 3.9Å; L157-V210 PolarHBondContact N-O 3.01Å; V210-I238 CarbonylContact C-O 3.6Å; V210-I238 WeakPolarHBondContact CA-O 3.4Å; V210-I238 HydrophobicContact CG2-CB 4.3Å; V210-I238 HydrophobicContact CG2-CD1 4.33Å; V210-I238 HydrophobicContact CG2-CG1 4.49Å
211	I	94.1	Very high	88.1	Confident	0 Å²	0	46 Å²	46	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.4	-174.8	-52.5	176.5	0	0	0	109.7	L157 C213 L218 L221 I225 Y237 I238 A240	L157-I211 HydrophobicContact CD1-CG1 4.45Å; L157-I211 WeakPolarHBondContact O-CA 3.34Å; I211-C213 HydrophobicContact CG2-CB 4.22Å; I211-L218 HydrophobicContact CB-CD1 4.31Å; I211-L218 HydrophobicContact CD1-CD1 4.49Å; I211-L218 HydrophobicContact CG2-CD1 3.6Å; I211-L221 HydrophobicContact CD1-CD2 4.1Å; I211-L221 HydrophobicContact CG1-CD2 4.44Å; I211-L221 HydrophobicContact CG2-CD2 3.62Å; I211-I225 HydrophobicContact CD1-CD1 4.15Å; I211-Y237 HydrophobicContact CD1-CD1 3.95Å; I211-I238 PolarHBondContact N-O 3.06Å; I211-A240 WeakPolarHBondContact O-CB 3.27Å; I211-A240 PolarHBondContact O-N 2.67Å
212	D	92.6	Very high	88.1	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	71.8	-179.1	-175.2	11.5	0	0	0	109.7	F156 L157 Y158 D159 R162 I166 A240	F156-D212 HydrophobicContact CE2-CB 3.84Å; F156-D212 HydrophobicContact CZ-CB 3.69Å; F156-D212 WeakPolarHBondContact CZ-OD2 3.34Å; L157-D212 PolarHBondContact O-N 2.86Å; Y158-D212 WeakPolarHBondContact CA-O 3.42Å; D159-D212 WeakPolarHBondContact CB-O 3.41Å; D159-D212 PolarHBondContact N-O 2.96Å; R162-D212 IonicContact CZ-OD1 2.69Å; R162-D212 IonicContact NE-OD1 3.53Å; R162-D212 PolarHBondContact NE-OD1 3.44Å; R162-D212 IonicContact NH2-OD1 2.87Å; R162-D212 PolarHBondContact NH2-OD1 3.36Å; I166-D212 WeakPolarHBondContact CB-OD2 3.18Å; D212-A240 HydrophobicContact CB-CB 4.24Å
213	C	89.2	Confident	88.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	21%	0.213	C	C	.	.			trans	-131.2	150.4	-176.6	-57.4	0	0	0	0	112.9	D159 R162 V186 I211 L218 N241	D159-C213 HydrophobicContact CB-CB 4.49Å; R162-C213 PolarHBondContact NH1-O 3.42Å; V186-C213 VanDerWaalsContact CG2-SG 3.57Å; I211-C213 HydrophobicContact CG2-CB 4.22Å; C213-L218 HydrophobicContact CB-CB 4.26Å; C213-N241 PolarHBondContact O-ND2 3.25Å; C213-N241 PolarHBondContact O-OD1 3.44Å; C213-N241 VanDerWaalsContact O-OD1 3.04Å
214	E	84.3	Confident	88.7	Confident	84 Å²	84	41.3 Å²	41.3	39%	0.393	19%	0.185	S	C	.	.			trans	-62.7	156.2	171.8	-167.4	135.9	-110.9	0	0	112.3	E216 R217 L218	E214-E216 VanDerWaalsContact C-N 3.33Å; E214-E216 PolarHBondContact O-N 3.42Å; E214-R217 PolarHBondContact O-N 3.03Å; E214-L218 VanDerWaalsContact O-CB 3.24Å; E214-L218 WeakPolarHBondContact O-CB 3.5Å; E214-L218 PolarHBondContact O-N 3.48Å
215	I	83.7	Confident	89	Confident	18 Å²	18	34.1 Å²	34.1	9%	0.092	16%	0.158	C	C	.	.	H	α-helix	trans	-55.1	-44.6	-166.3	-65.3	165.2	0	0	0	112.3	L218 Q219 K295 Y296	I215-L218 PolarHBondContact O-N 3.25Å; I215-Q219 WeakPolarHBondContact O-CG 3.2Å; I215-Q219 PolarHBondContact O-N 3.49Å; I215-K295 HydrophobicContact CD1-CD 4.36Å; I215-Y296 HydrophobicContact CD1-CD1 4.48Å; I215-Y296 HydrophobicContact CD1-CE1 4Å
216	E	82.6	Confident	89.5	Confident	145 Å²	145	33.3 Å²	33.3	68%	0.678	16%	0.156	S	C	*	.	H	α-helix	trans	-65.4	-46.6	-177	-60.2	-178.7	-179.8	0	0	111.7	E214 Q219 N220	E214-E216 VanDerWaalsContact C-N 3.33Å; E214-E216 PolarHBondContact O-N 3.42Å; E216-Q219 PolarHBondContact O-N 2.91Å; E216-N220 PolarHBondContact O-N 3.23Å
217	R	86.8	Confident	89.6	Confident	63 Å²	63	36.1 Å²	36.1	24%	0.238	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-36.4	178.4	-162.3	172.9	-59.6	156.6	7.2	111.8	D159 D161 E214 N220 L221	D159-R217 IonicContact OD1-CZ 2.69Å; D159-R217 IonicContact OD1-NH1 2.8Å; D159-R217 PolarHBondContact OD1-NH1 3.32Å; D159-R217 IonicContact OD2-CZ 3.43Å; D159-R217 VanDerWaalsContact OD2-CZ 3.28Å; D159-R217 IonicContact OD2-NE 2.93Å; D159-R217 IonicContact OD2-NH1 2.9Å; D159-R217 PolarHBondContact OD2-NH1 3.38Å; D159-R217 IonicContact OD2-NH2 3.18Å; D161-R217 IonicContact OD2-CZ 2.75Å; D161-R217 IonicContact OD2-NH1 3.97Å; D161-R217 PolarHBondContact OD2-NH1 3.41Å; D161-R217 VanDerWaalsContact OD2-NH1 3.15Å; D161-R217 IonicContact OD2-NH2 3.72Å; D161-R217 PolarHBondContact OD2-NH2 2.87Å; E214-R217 PolarHBondContact O-N 3.03Å; R217-N220 PolarHBondContact O-N 3.22Å; R217-L221 WeakPolarHBondContact O-CB 3.42Å; R217-L221 PolarHBondContact O-N 3.35Å
218	L	88.9	Confident	89.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-42.6	173.2	175.2	64	0	0	0	111.6	I211 C213 E214 I215 L221 L222 V239 N241 I247	I211-L218 HydrophobicContact CB-CD1 4.31Å; I211-L218 HydrophobicContact CD1-CD1 4.49Å; I211-L218 HydrophobicContact CG2-CD1 3.6Å; C213-L218 HydrophobicContact CB-CB 4.26Å; E214-L218 VanDerWaalsContact O-CB 3.24Å; E214-L218 WeakPolarHBondContact O-CB 3.5Å; E214-L218 PolarHBondContact O-N 3.48Å; I215-L218 PolarHBondContact O-N 3.25Å; L218-L221 PolarHBondContact O-N 3.24Å; L218-L222 HydrophobicContact CD1-CD1 3.91Å; L218-L222 HydrophobicContact CD1-CG 3.98Å; L218-L222 HydrophobicContact CG-CD1 3.89Å; L218-L222 HydrophobicContact CG-CG 4.36Å; L218-L222 WeakPolarHBondContact O-CB 3.39Å; L218-L222 VanDerWaalsContact O-CG 3.25Å; L218-L222 WeakPolarHBondContact O-CG 3.02Å; L218-L222 PolarHBondContact O-N 3Å; L218-V239 HydrophobicContact CD1-CG1 4.39Å; L218-V239 HydrophobicContact CD2-CG1 3.58Å; L218-N241 VanDerWaalsContact CD2-ND2 3.29Å; L218-N241 WeakPolarHBondContact CD2-ND2 3.17Å; L218-I247 HydrophobicContact CD2-CD1 3.52Å; L218-I247 HydrophobicContact CD2-CG1 4.06Å
219	Q	88.3	Confident	89.4	Confident	82 Å²	82	34.5 Å²	34.5	38%	0.383	18%	0.181	S	C	.	.	H	α-helix	trans	-61.3	-49.8	177.3	-76.8	177.2	-4.1	0	0	111.3	I215 E216 L221 L222 E223	I215-Q219 WeakPolarHBondContact O-CG 3.2Å; I215-Q219 PolarHBondContact O-N 3.49Å; E216-Q219 PolarHBondContact O-N 2.91Å; Q219-L221 PolarHBondContact O-N 3.48Å; Q219-L222 PolarHBondContact O-N 3.12Å; Q219-E223 WeakPolarHBondContact O-CG 3.47Å; Q219-E223 PolarHBondContact O-N 3.36Å
220	N	88.8	Confident	89.1	Confident	52 Å²	52	35.8 Å²	35.8	28%	0.278	19%	0.186	S	C	.	.	H	α-helix	trans	-58.6	-47.7	175.5	-173.4	-0.7	0	0	0	111.5	D191 E216 R217 L222 E223 Q224	D191-N220 PolarHBondContact OD1-ND2 3.43Å; E216-N220 PolarHBondContact O-N 3.23Å; R217-N220 PolarHBondContact O-N 3.22Å; N220-L222 VanDerWaalsContact C-N 3.32Å; N220-L222 PolarHBondContact O-N 3.36Å; N220-E223 PolarHBondContact O-N 3Å; N220-E223 VanDerWaalsContact O-N 3.07Å; N220-Q224 WeakPolarHBondContact O-CG 3.49Å; N220-Q224 PolarHBondContact O-N 3.35Å; N220-Q224 WeakPolarHBondContact OD1-CG 3.42Å; N220-Q224 PolarHBondContact OD1-NE2 2.98Å
221	L	90.3	Very high	88.9	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-43.2	177.8	173.3	58.5	0	0	0	112.6	L157 Y194 I211 R217 L218 Q219 Q224 I225	L157-L221 HydrophobicContact CD1-CD1 4.3Å; L157-L221 HydrophobicContact CD1-CD2 3.97Å; Y194-L221 HydrophobicContact CD1-CD1 3.73Å; Y194-L221 HydrophobicContact CE1-CB 4.35Å; Y194-L221 HydrophobicContact CE1-CD1 3.81Å; I211-L221 HydrophobicContact CD1-CD2 4.1Å; I211-L221 HydrophobicContact CG1-CD2 4.44Å; I211-L221 HydrophobicContact CG2-CD2 3.62Å; R217-L221 WeakPolarHBondContact O-CB 3.42Å; R217-L221 PolarHBondContact O-N 3.35Å; L218-L221 PolarHBondContact O-N 3.24Å; Q219-L221 PolarHBondContact O-N 3.48Å; L221-Q224 PolarHBondContact O-N 3.38Å; L221-I225 HydrophobicContact CD1-CD1 3.98Å; L221-I225 HydrophobicContact CD1-CG1 4.26Å; L221-I225 HydrophobicContact CG-CD1 3.98Å; L221-I225 VanDerWaalsContact O-CG1 3.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 2.84Å
222	L	90.3	Very high	88.5	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-37.9	176.1	-72.1	172.3	0	0	0	112	L218 Q219 N220 I225 V226 I247 L249 F252	L218-L222 HydrophobicContact CD1-CD1 3.91Å; L218-L222 HydrophobicContact CD1-CG 3.98Å; L218-L222 HydrophobicContact CG-CD1 3.89Å; L218-L222 HydrophobicContact CG-CG 4.36Å; L218-L222 WeakPolarHBondContact O-CB 3.39Å; L218-L222 VanDerWaalsContact O-CG 3.25Å; L218-L222 WeakPolarHBondContact O-CG 3.02Å; L218-L222 PolarHBondContact O-N 3Å; Q219-L222 PolarHBondContact O-N 3.12Å; N220-L222 VanDerWaalsContact C-N 3.32Å; N220-L222 PolarHBondContact O-N 3.36Å; L222-I225 HydrophobicContact CD2-CD1 4.44Å; L222-I225 PolarHBondContact O-N 3.16Å; L222-V226 WeakPolarHBondContact O-CG2 3.06Å; L222-V226 PolarHBondContact O-N 3.12Å; L222-I247 HydrophobicContact CD1-CG2 3.54Å; L222-L249 HydrophobicContact CD1-CD2 4.16Å; L222-F252 HydrophobicContact CB-CE2 3.96Å; L222-F252 HydrophobicContact CB-CZ 4.36Å; L222-F252 HydrophobicContact CD2-CE1 4.39Å; L222-F252 HydrophobicContact CD2-CE2 3.78Å; L222-F252 HydrophobicContact CD2-CZ 3.59Å; L222-F252 HydrophobicContact CG-CE2 4.41Å
223	E	90	Very high	88.1	Confident	97 Å²	97	45.1 Å²	45.1	45%	0.453	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-40.4	173.4	-67.6	-160.2	130.3	0	0	112.7	Q219 N220 V226 S227 R251	Q219-E223 WeakPolarHBondContact O-CG 3.47Å; Q219-E223 PolarHBondContact O-N 3.36Å; N220-E223 PolarHBondContact O-N 3Å; N220-E223 VanDerWaalsContact O-N 3.07Å; E223-V226 PolarHBondContact O-N 3Å; E223-S227 PolarHBondContact O-N 3.44Å; E223-R251 IonicContact OE1-CZ 3.73Å; E223-R251 IonicContact OE1-NH1 2.73Å; E223-R251 PolarHBondContact OE1-NH1 3.31Å; E223-R251 IonicContact OE1-NH2 3.51Å
224	Q	89.6	Confident	87.8	Confident	11 Å²	11	46.7 Å²	46.7	5%	0.051	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-38.6	174.2	-56.7	-58.3	-33.2	0	0	111.8	D191 Y194 R195 L198 N220 L221 V226 S227 V228	D191-Q224 PolarHBondContact OD2-NE2 2.9Å; Y194-Q224 HydrophobicContact CD2-CG 4.37Å; Y194-Q224 HydrophobicContact CG-CG 4.38Å; R195-Q224 VanDerWaalsContact NE-OE1 3.08Å; L198-Q224 HydrophobicContact CD1-CB 4.36Å; N220-Q224 WeakPolarHBondContact O-CG 3.49Å; N220-Q224 PolarHBondContact O-N 3.35Å; N220-Q224 WeakPolarHBondContact OD1-CG 3.42Å; N220-Q224 PolarHBondContact OD1-NE2 2.98Å; L221-Q224 PolarHBondContact O-N 3.38Å; Q224-V226 VanDerWaalsContact C-N 3.27Å; Q224-V226 PolarHBondContact O-N 3.13Å; Q224-S227 PolarHBondContact O-N 3.33Å; Q224-S227 PolarHBondContact O-OG 2.86Å; Q224-V228 WeakPolarHBondContact O-CG2 3.42Å; Q224-V228 PolarHBondContact O-N 3.33Å
225	I	91.6	Very high	88	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-40.6	173.5	-73.6	163	0	0	0	111.2	L198 I211 L221 L222 G229 K230 Y237 F252	L198-I225 HydrophobicContact CD1-CG1 3.99Å; L198-I225 HydrophobicContact CD2-CG1 3.94Å; I211-I225 HydrophobicContact CD1-CD1 4.15Å; L221-I225 HydrophobicContact CD1-CD1 3.98Å; L221-I225 HydrophobicContact CD1-CG1 4.26Å; L221-I225 HydrophobicContact CG-CD1 3.98Å; L221-I225 VanDerWaalsContact O-CG1 3.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.48Å; L221-I225 PolarHBondContact O-N 2.84Å; L222-I225 HydrophobicContact CD2-CD1 4.44Å; L222-I225 PolarHBondContact O-N 3.16Å; I225-G229 PolarHBondContact O-N 3.39Å; I225-K230 HydrophobicContact CG2-CB 4.22Å; I225-K230 PolarHBondContact O-N 3.48Å; I225-Y237 HydrophobicContact CD1-CD1 4.3Å; I225-Y237 HydrophobicContact CD1-CE1 3.77Å; I225-Y237 HydrophobicContact CG1-CE1 4.47Å; I225-Y237 HydrophobicContact CG2-CE1 4.3Å; I225-Y237 HydrophobicContact CG2-CE2 4.15Å; I225-Y237 WeakPolarHBondContact CG2-OH 3.49Å; I225-F252 HydrophobicContact CB-CZ 4.11Å; I225-F252 HydrophobicContact CG2-CE1 3.81Å; I225-F252 HydrophobicContact CG2-CZ 3.56Å
226	V	90.7	Very high	88.5	Confident	26 Å²	26	43.7 Å²	43.7	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-45.9	174.6	174.5	0	0	0	0	111.1	L222 E223 Q224 V228 G229 H231 R251 F252	L222-V226 WeakPolarHBondContact O-CG2 3.06Å; L222-V226 PolarHBondContact O-N 3.12Å; E223-V226 PolarHBondContact O-N 3Å; Q224-V226 VanDerWaalsContact C-N 3.27Å; Q224-V226 PolarHBondContact O-N 3.13Å; V226-V228 PolarHBondContact O-N 2.8Å; V226-G229 WeakPolarHBondContact O-CA 3.32Å; V226-G229 PolarHBondContact O-N 3.23Å; V226-H231 HydrophobicContact CG2-CB 4.24Å; V226-H231 PolarHBondContact O-CE1 3.39Å; V226-H231 PolarHBondContact O-ND1 3.35Å; V226-R251 HydrophobicContact CG1-CB 4.23Å; V226-R251 HydrophobicContact CG2-CB 3.98Å; V226-F252 HydrophobicContact CG2-CD2 3.92Å; V226-F252 HydrophobicContact CG2-CE2 3.45Å; V226-F252 VanDerWaalsContact CG2-CE2 3.45Å; V226-F252 HydrophobicContact CG2-CZ 3.93Å
227	S	87.9	Confident	89.1	Confident	70 Å²	70	36.8 Å²	36.8	49%	0.49	20%	0.202	S	C	.	.	H	α-helix	trans	-64.1	-34.1	-176.3	78.7	0	0	0	0	114	E223 Q224 G229	E223-S227 PolarHBondContact O-N 3.44Å; Q224-S227 PolarHBondContact O-N 3.33Å; Q224-S227 PolarHBondContact O-OG 2.86Å; S227-G229 PolarHBondContact O-N 2.92Å
228	V	88.5	Confident	89.5	Confident	32 Å²	32	33.8 Å²	33.8	19%	0.194	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	5	174.1	-162.4	0	0	0	0	112	R195 L198 E199 Q224 V226 K230	R195-V228 HydrophobicContact CB-CG2 4.24Å; R195-V228 HydrophobicContact CG-CG2 3.74Å; L198-V228 HydrophobicContact CD1-CG2 4.17Å; E199-V228 HydrophobicContact CG-CG1 4.44Å; Q224-V228 WeakPolarHBondContact O-CG2 3.42Å; Q224-V228 PolarHBondContact O-N 3.33Å; V226-V228 PolarHBondContact O-N 2.8Å; V228-K230 VanDerWaalsContact C-N 3.33Å; V228-K230 HydrophobicContact CB-CG 4.27Å; V228-K230 HydrophobicContact CG1-CD 4.49Å; V228-K230 HydrophobicContact CG1-CG 4.39Å; V228-K230 PolarHBondContact O-N 2.99Å
229	G	87.7	Confident	89.8	Confident	30 Å²	30	33.9 Å²	33.9	31%	0.309	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	24.5	176.1	0	0	0	0	0	114.6	I225 V226 S227 H231	I225-G229 PolarHBondContact O-N 3.39Å; V226-G229 WeakPolarHBondContact O-CA 3.32Å; V226-G229 PolarHBondContact O-N 3.23Å; S227-G229 PolarHBondContact O-N 2.92Å; G229-H231 VanDerWaalsContact C-N 3.3Å; G229-H231 PolarHBondContact O-N 3.34Å
230	K	90.4	Very high	90	Very high	30 Å²	30	30 Å²	30	13%	0.13	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	9.2	-179.1	-49.6	-48.7	-173.7	-160	0	113.7	D202 I225 V228 V232 Y235 Y237	D202-K230 WeakPolarHBondContact OD2-CE 3.46Å; D202-K230 IonicContact OD2-NZ 2.69Å; D202-K230 PolarHBondContact OD2-NZ 3Å; I225-K230 HydrophobicContact CG2-CB 4.22Å; I225-K230 PolarHBondContact O-N 3.48Å; V228-K230 VanDerWaalsContact C-N 3.33Å; V228-K230 HydrophobicContact CB-CG 4.27Å; V228-K230 HydrophobicContact CG1-CD 4.49Å; V228-K230 HydrophobicContact CG1-CG 4.39Å; V228-K230 PolarHBondContact O-N 2.99Å; K230-V232 VanDerWaalsContact C-N 3.29Å; K230-V232 PolarHBondContact O-N 3.09Å; K230-Y235 HydrophobicContact CB-CE1 4.21Å; K230-Y235 HydrophobicContact CB-CE2 4.46Å; K230-Y235 VanDerWaalsContact O-CD2 3.32Å; K230-Y235 WeakPolarHBondContact O-CD2 3.47Å; K230-Y237 PolarHBondContact O-OH 3.49Å
231	H	89.9	Confident	90	Very high	39 Å²	39	27.7 Å²	27.7	18%	0.181	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	11.8	174.4	64.8	-69.4	0	0	0	113.5	V226 G229 F252 G255 A257	V226-H231 HydrophobicContact CG2-CB 4.24Å; V226-H231 PolarHBondContact O-CE1 3.39Å; V226-H231 PolarHBondContact O-ND1 3.35Å; G229-H231 VanDerWaalsContact C-N 3.3Å; G229-H231 PolarHBondContact O-N 3.34Å; H231-F252 HydrophobicContact CB-CD1 3.8Å; H231-F252 HydrophobicContact CB-CE1 3.72Å; H231-F252 HydrophobicContact CB-CG 4.44Å; H231-F252 HydrophobicContact CB-CZ 4.27Å; H231-G255 CarbonylContact O-C 3.57Å; H231-G255 VanDerWaalsContact O-CA 3.23Å; H231-G255 WeakPolarHBondContact O-CA 3.42Å; H231-A257 VanDerWaalsContact O-CB 3.23Å; H231-A257 WeakPolarHBondContact O-CB 3.5Å; H231-A257 PolarHBondContact O-N 2.91Å; H231-A257 VanDerWaalsContact O-N 3.12Å
232	V	87.3	Confident	90.1	Very high	67 Å²	67	28 Å²	28	41%	0.406	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-80.9	161.3	-176.9	-64.5	0	0	0	0	113.8	K230 G234 Y235 G255	K230-V232 VanDerWaalsContact C-N 3.29Å; K230-V232 PolarHBondContact O-N 3.09Å; V232-G234 PolarHBondContact O-N 2.81Å; V232-Y235 HydrophobicContact CG2-CD2 3.8Å; V232-Y235 HydrophobicContact CG2-CE2 3.83Å; V232-Y235 WeakPolarHBondContact O-CD2 3.49Å; V232-Y235 PolarHBondContact O-N 3.05Å; V232-G255 WeakPolarHBondContact CA-O 3.32Å
233	K	82.8	Confident	90.1	Very high	94 Å²	94	27.8 Å²	27.8	41%	0.409	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	131.9	171.8	-171.3	-179.6	178.5	-173.9	0	112.2	G255 G256 E495	K233-G255 PolarHBondContact N-O 3.06Å; K233-G256 WeakPolarHBondContact CA-O 3.46Å; K233-E495 WeakPolarHBondContact CE-OE1 3.41Å; K233-E495 IonicContact NZ-OE1 2.66Å; K233-E495 PolarHBondContact NZ-OE1 2.83Å
234	G	82.7	Confident	90.1	Very high	34 Å²	34	23.3 Å²	23.3	35%	0.351	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	109	-23.3	-175.6	0	0	0	0	0	113.5	K207 V232	K207-G234 WeakPolarHBondContact CB-O 3.44Å; V232-G234 PolarHBondContact O-N 2.81Å
235	Y	90.4	Very high	89.9	Confident	15 Å²	15	26.8 Å²	26.8	6%	0.059	16%	0.155	C	C	.	.			trans	-84.7	147.3	171.9	-72.4	-92.2	0	0	0	112.1	D202 K207 F209 K230 V232 Y237 A257 N258	D202-Y235 PolarHBondContact OD1-OH 3.22Å; K207-Y235 HydrophobicContact CB-CD1 4.32Å; K207-Y235 HydrophobicContact CD-CD1 4.05Å; K207-Y235 HydrophobicContact CD-CD2 4.37Å; K207-Y235 HydrophobicContact CD-CE1 3.58Å; K207-Y235 HydrophobicContact CD-CE2 3.96Å; K207-Y235 HydrophobicContact CD-CG 4.41Å; K207-Y235 PolarHBondContact NZ-OH 2.97Å; K207-Y235 WeakPolarHBondContact O-CA 3.39Å; F209-Y235 HydrophobicContact CD2-CD1 4.34Å; F209-Y235 AromaticContact CE2-CD1 3.74Å; F209-Y235 HydrophobicContact CE2-CD1 3.74Å; F209-Y235 AromaticContact CE2-CE1 3.89Å; F209-Y235 HydrophobicContact CE2-CE1 3.89Å; F209-Y235 HydrophobicContact CZ-CE1 4.48Å; K230-Y235 HydrophobicContact CB-CE1 4.21Å; K230-Y235 HydrophobicContact CB-CE2 4.46Å; K230-Y235 VanDerWaalsContact O-CD2 3.32Å; K230-Y235 WeakPolarHBondContact O-CD2 3.47Å; V232-Y235 HydrophobicContact CG2-CD2 3.8Å; V232-Y235 HydrophobicContact CG2-CE2 3.83Å; V232-Y235 WeakPolarHBondContact O-CD2 3.49Å; V232-Y235 PolarHBondContact O-N 3.05Å; Y235-Y237 HydrophobicContact CD1-CE2 4.49Å; Y235-Y237 HydrophobicContact CG-CE2 4.43Å; Y235-A257 WeakPolarHBondContact O-CA 3.43Å; Y235-A257 WeakPolarHBondContact O-CB 3.39Å; Y235-N258 PolarHBondContact O-N 3.48Å
236	H	92.9	Very high	89.6	Confident	24 Å²	24	28.1 Å²	28.1	11%	0.111	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	122.9	172.6	-166.6	167.4	0	0	0	110.1	Y149 W151 K207 F209 N258 T260	Y149-H236 AromaticContact CE2-CE1 3.91Å; Y149-H236 AromaticContact CZ-CE1 3.9Å; W151-H236 HydrophobicContact CH2-CB 4.25Å; W151-H236 HydrophobicContact CZ2-CB 3.85Å; W151-H236 AromaticContact CZ2-CG 3.6Å; W151-H236 AromaticContact CZ2-ND1 3.61Å; K207-H236 PolarHBondContact O-N 2.91Å; F209-H236 PolarHBondContact N-O 2.86Å; H236-N258 CarbonylContact C-O 3.45Å; H236-N258 VanDerWaalsContact CA-O 3.3Å; H236-N258 WeakPolarHBondContact CA-O 3.39Å; H236-N258 HydrophobicContact CB-CB 4.23Å; H236-N258 PolarHBondContact CD2-O 2.82Å; H236-T260 WeakPolarHBondContact NE2-CG2 3.35Å
237	Y	94.7	Very high	89.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.9	178.8	-62.3	-83.2	0	0	0	111.3	F209 I211 I225 K230 Y235 F252 A257 N258 V259 T260	F209-Y237 HydrophobicContact CB-CD1 3.5Å; F209-Y237 VanDerWaalsContact CB-CD1 3.5Å; F209-Y237 HydrophobicContact CB-CE1 3.73Å; F209-Y237 HydrophobicContact CB-CG 4.46Å; F209-Y237 HydrophobicContact CD1-CE1 4.3Å; F209-Y237 HydrophobicContact CD2-CD1 4.13Å; F209-Y237 AromaticContact CD2-CE1 3.57Å; F209-Y237 HydrophobicContact CD2-CE1 3.57Å; F209-Y237 HydrophobicContact CE2-CE1 4.29Å; F209-Y237 AromaticContact CG-CD1 3.95Å; F209-Y237 HydrophobicContact CG-CD1 3.95Å; F209-Y237 AromaticContact CG-CE1 3.61Å; F209-Y237 HydrophobicContact CG-CE1 3.61Å; F209-Y237 CarbonylContact O-C 3.53Å; F209-Y237 WeakPolarHBondContact O-CA 3.42Å; I211-Y237 HydrophobicContact CD1-CD1 3.95Å; I225-Y237 HydrophobicContact CD1-CD1 4.3Å; I225-Y237 HydrophobicContact CD1-CE1 3.77Å; I225-Y237 HydrophobicContact CG1-CE1 4.47Å; I225-Y237 HydrophobicContact CG2-CE1 4.3Å; I225-Y237 HydrophobicContact CG2-CE2 4.15Å; I225-Y237 WeakPolarHBondContact CG2-OH 3.49Å; K230-Y237 PolarHBondContact O-OH 3.49Å; Y235-Y237 HydrophobicContact CD1-CE2 4.49Å; Y235-Y237 HydrophobicContact CG-CE2 4.43Å; Y237-F252 HydrophobicContact CD2-CE1 4.11Å; Y237-F252 HydrophobicContact CE2-CE1 4.12Å; Y237-A257 HydrophobicContact CD2-CB 4.3Å; Y237-A257 HydrophobicContact CE2-CB 4.21Å; Y237-N258 PolarHBondContact N-O 3.44Å; Y237-V259 CarbonylContact O-C 3.55Å; Y237-V259 WeakPolarHBondContact O-CA 3.25Å; Y237-T260 PolarHBondContact O-N 2.9Å; Y237-T260 PolarHBondContact O-OG1 2.92Å
238	I	95.7	Very high	89	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.1	168.5	-49.3	-172.2	0	0	0	108.1	L142 L145 L146 Y149 W151 F209 V210 I211 T260 F262	L142-I238 HydrophobicContact CD1-CG2 3.81Å; L145-I238 HydrophobicContact CD2-CD1 4.4Å; L145-I238 HydrophobicContact CD2-CG2 3.81Å; L146-I238 HydrophobicContact CD2-CD1 3.91Å; Y149-I238 HydrophobicContact CD2-CD1 4.41Å; W151-I238 HydrophobicContact CE3-CD1 4.07Å; W151-I238 HydrophobicContact CH2-CD1 3.78Å; W151-I238 HydrophobicContact CH2-CG1 3.65Å; W151-I238 HydrophobicContact CZ2-CD1 4.25Å; W151-I238 HydrophobicContact CZ2-CG1 4.34Å; W151-I238 HydrophobicContact CZ3-CD1 3.67Å; W151-I238 HydrophobicContact CZ3-CG1 3.87Å; F209-I238 PolarHBondContact O-N 2.9Å; V210-I238 CarbonylContact C-O 3.6Å; V210-I238 WeakPolarHBondContact CA-O 3.4Å; V210-I238 HydrophobicContact CG2-CB 4.3Å; V210-I238 HydrophobicContact CG2-CD1 4.33Å; V210-I238 HydrophobicContact CG2-CG1 4.49Å; I211-I238 PolarHBondContact N-O 3.06Å; I238-T260 WeakPolarHBondContact CG1-OG1 3.44Å; I238-F262 HydrophobicContact CG2-CE2 4.46Å
239	V	94.6	Very high	88.8	Confident	1 Å²	1	27 Å²	27	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	109.3	179	179.6	0	0	0	0	109.3	L218 N241 I247 V259 T260 G261	L218-V239 HydrophobicContact CD1-CG1 4.39Å; L218-V239 HydrophobicContact CD2-CG1 3.58Å; V239-N241 HydrophobicContact CG1-CB 4.11Å; V239-N241 PolarHBondContact O-N 2.98Å; V239-I247 HydrophobicContact CG1-CD1 3.85Å; V239-V259 HydrophobicContact CG2-CG1 4.06Å; V239-T260 PolarHBondContact N-O 3.28Å; V239-G261 WeakPolarHBondContact O-CA 3.43Å
240	A	92.4	Very high	88.6	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.008	17%	0.172	C	C	.	.			trans	-83.2	54	-177.9	0	0	0	0	0	112.2	L138 L142 R162 I211 D212	L138-A240 HydrophobicContact CD2-CB 3.71Å; L138-A240 WeakPolarHBondContact CD2-O 3.45Å; L142-A240 HydrophobicContact CD2-CB 4.15Å; R162-A240 PolarHBondContact NH2-O 3.43Å; I211-A240 WeakPolarHBondContact O-CB 3.27Å; I211-A240 PolarHBondContact O-N 2.67Å; D212-A240 HydrophobicContact CB-CB 4.24Å
241	N	90.6	Very high	88.2	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.191	C	C	.	.			trans	-125	157.1	175.3	-71.7	6.6	0	0	0	110.9	R162 C213 L218 V239 F262	R162-N241 VanDerWaalsContact CZ-OD1 3.26Å; R162-N241 PolarHBondContact NH1-OD1 3.18Å; R162-N241 PolarHBondContact NH2-OD1 3.24Å; C213-N241 PolarHBondContact O-ND2 3.25Å; C213-N241 PolarHBondContact O-OD1 3.44Å; C213-N241 VanDerWaalsContact O-OD1 3.04Å; L218-N241 VanDerWaalsContact CD2-ND2 3.29Å; L218-N241 WeakPolarHBondContact CD2-ND2 3.17Å; V239-N241 HydrophobicContact CG1-CB 4.11Å; V239-N241 PolarHBondContact O-N 2.98Å; N241-F262 WeakPolarHBondContact O-CB 3.38Å
242	L	91.2	Very high	87.9	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.037	18%	0.183	C	C	.	.	S	Bend	trans	-87.4	-0.3	-179.7	-61.3	177	0	0	0	114.5	R135 P136 L138 F262 Q263 L264 Y296 M374	R135-L242 HydrophobicContact CG-CD1 3.5Å; R135-L242 VanDerWaalsContact CG-CD1 3.5Å; P136-L242 HydrophobicContact CG-CD1 4.08Å; L138-L242 HydrophobicContact CD1-CD2 4.44Å; L242-F262 CarbonylContact C-O 3.23Å; L242-F262 VanDerWaalsContact C-O 3.22Å; L242-Q263 WeakPolarHBondContact O-CA 3.14Å; L242-L264 HydrophobicContact CB-CB 4.17Å; L242-L264 HydrophobicContact CD1-CD2 4.31Å; L242-L264 PolarHBondContact O-N 3.45Å; L242-Y296 HydrophobicContact CB-CD1 4.33Å; L242-Y296 HydrophobicContact CB-CD2 3.7Å; L242-Y296 HydrophobicContact CB-CE2 3.93Å; L242-Y296 HydrophobicContact CB-CG 3.93Å; L242-Y296 HydrophobicContact CD1-CD2 4.1Å; L242-Y296 HydrophobicContact CD1-CE2 3.92Å; L242-Y296 HydrophobicContact CG-CD2 4.5Å; L242-Y296 HydrophobicContact CG-CE2 4.38Å; L242-M374 HydrophobicContact CD2-CE 3.26Å; L242-M374 HydrophobicContact CD2-SD 3.74Å
243	G	90	Very high	87.7	Confident	2 Å²	2	34.6 Å²	34.6	2%	0.021	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-130.6	66.6	-177	0	0	0	0	0	111.3	K245 D246 F262	G243-K245 PolarHBondContact O-N 3.01Å; G243-D246 WeakPolarHBondContact O-CB 3.31Å; G243-D246 PolarHBondContact O-N 3.38Å; G243-F262 PolarHBondContact N-O 3.13Å
244	F	89.8	Confident	87.6	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.9	-35.9	178.1	-168.5	-110.8	0	0	0	113.1	D246 L249 V259 F262 F377 L379 P384	F244-D246 VanDerWaalsContact C-N 3.31Å; F244-L249 HydrophobicContact CD1-CD1 4.33Å; F244-L249 HydrophobicContact CD2-CD1 4.29Å; F244-L249 HydrophobicContact CE1-CD1 3.79Å; F244-L249 HydrophobicContact CE2-CD1 3.75Å; F244-L249 HydrophobicContact CZ-CD1 3.48Å; F244-L249 VanDerWaalsContact CZ-CD1 3.48Å; F244-V259 HydrophobicContact CE2-CG1 4Å; F244-V259 HydrophobicContact CZ-CG1 4.18Å; F244-F262 WeakPolarHBondContact CB-O 3.26Å; F244-F262 PolarHBondContact N-O 2.81Å; F244-F377 HydrophobicContact CB-CB 4.5Å; F244-F377 HydrophobicContact CD1-CB 3.47Å; F244-F377 VanDerWaalsContact CD1-CB 3.47Å; F244-F377 HydrophobicContact CD1-CG 4.25Å; F244-F377 HydrophobicContact CE1-CB 3.83Å; F244-F377 HydrophobicContact CG-CB 4.1Å; F244-L379 HydrophobicContact CZ-CB 4.29Å; F244-P384 HydrophobicContact CD1-CB 4.07Å; F244-P384 HydrophobicContact CE1-CB 3.87Å
245	K	86.2	Confident	87.4	Confident	84 Å²	84	37.3 Å²	37.3	37%	0.365	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-81.2	-6.9	177.2	-67.6	-177.7	176.7	179.5	0	114.1	G243 I247 F267 F377 P384	G243-K245 PolarHBondContact O-N 3.01Å; K245-I247 PolarHBondContact O-N 3.29Å; K245-F267 HydrophobicContact CB-CE2 4.09Å; K245-F267 HydrophobicContact CD-CD2 3.81Å; K245-F267 HydrophobicContact CD-CE2 3.78Å; K245-F377 VanDerWaalsContact CE-CE1 3.47Å; K245-P384 HydrophobicContact CG-CG 4.34Å
246	D	84.4	Confident	87	Confident	28 Å²	28	38.2 Å²	38.2	15%	0.15	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-82	-5.4	177.7	-52.6	-1	0	0	0	111.2	G243 F244 K295 Y296	G243-D246 WeakPolarHBondContact O-CB 3.31Å; G243-D246 PolarHBondContact O-N 3.38Å; F244-D246 VanDerWaalsContact C-N 3.31Å; D246-K295 WeakPolarHBondContact OD2-CA 3.42Å; D246-Y296 PolarHBondContact OD2-N 3.34Å
247	I	85.4	Confident	86.8	Confident	12 Å²	12	37.4 Å²	37.4	6%	0.062	19%	0.194	C	C	.	.	S	Bend	trans	-110.2	135	-174	-56.9	152.8	0	0	0	109.6	L218 L222 V239 K245 L249	L218-I247 HydrophobicContact CD2-CD1 3.52Å; L218-I247 HydrophobicContact CD2-CG1 4.06Å; L222-I247 HydrophobicContact CD1-CG2 3.54Å; V239-I247 HydrophobicContact CG1-CD1 3.85Å; K245-I247 PolarHBondContact O-N 3.29Å; I247-L249 HydrophobicContact CB-CG 4.47Å; I247-L249 HydrophobicContact CG2-CD2 3.99Å; I247-L249 HydrophobicContact CG2-CG 4.17Å; I247-L249 PolarHBondContact O-N 2.69Å
248	S	82.5	Confident	86.6	Confident	81 Å²	81	40.7 Å²	40.7	57%	0.566	21%	0.212	S	C	*	.			trans	-73.3	110.5	171.9	-175.1	0	0	0	0	110.8
249	L	83.1	Confident	86.5	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.063	21%	0.212	C	C	.	.			trans	-112.8	6.5	-178.8	-67.1	176.4	0	0	0	113.4	L222 F244 I247 R251 F252 M253 V259 L379	L222-L249 HydrophobicContact CD1-CD2 4.16Å; F244-L249 HydrophobicContact CD1-CD1 4.33Å; F244-L249 HydrophobicContact CD2-CD1 4.29Å; F244-L249 HydrophobicContact CE1-CD1 3.79Å; F244-L249 HydrophobicContact CE2-CD1 3.75Å; F244-L249 HydrophobicContact CZ-CD1 3.48Å; F244-L249 VanDerWaalsContact CZ-CD1 3.48Å; I247-L249 HydrophobicContact CB-CG 4.47Å; I247-L249 HydrophobicContact CG2-CD2 3.99Å; I247-L249 HydrophobicContact CG2-CG 4.17Å; I247-L249 PolarHBondContact O-N 2.69Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 3.04Å; L249-F252 HydrophobicContact CD2-CD2 4.49Å; L249-F252 WeakPolarHBondContact O-CB 3.43Å; L249-F252 PolarHBondContact O-N 3.03Å; L249-M253 PolarHBondContact O-N 2.94Å; L249-V259 HydrophobicContact CD2-CG1 4.42Å; L249-L379 HydrophobicContact CB-CD1 4Å; L249-L379 HydrophobicContact CB-CD2 3.99Å; L249-L379 HydrophobicContact CD1-CD1 4.28Å
250	E	83.2	Confident	86.5	Confident	140 Å²	140	40.7 Å²	40.7	65%	0.654	21%	0.212	S	C	*	.	H	α-helix	trans	-55.5	-41.7	-175.8	-61.9	-179	167.1	0	0	112.6	F252 M253	E250-F252 PolarHBondContact O-N 2.85Å; E250-M253 WeakPolarHBondContact O-CB 3.31Å; E250-M253 PolarHBondContact O-N 3.38Å
251	R	82.9	Confident	86.5	Confident	140 Å²	140	40.6 Å²	40.6	53%	0.528	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-25.9	177.2	-63.4	-175.7	-176.6	153.1	3.8	113.3	E223 V226 L249	E223-R251 IonicContact OE1-CZ 3.73Å; E223-R251 IonicContact OE1-NH1 2.73Å; E223-R251 PolarHBondContact OE1-NH1 3.31Å; E223-R251 IonicContact OE1-NH2 3.51Å; V226-R251 HydrophobicContact CG1-CB 4.23Å; V226-R251 HydrophobicContact CG2-CB 3.98Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 3.04Å
252	F	84	Confident	86.7	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-81.2	-27.2	176.4	-79.1	-100.6	0	0	0	112.7	L222 I225 V226 H231 Y237 L249 E250 H254 G255 V259 L379	L222-F252 HydrophobicContact CB-CE2 3.96Å; L222-F252 HydrophobicContact CB-CZ 4.36Å; L222-F252 HydrophobicContact CD2-CE1 4.39Å; L222-F252 HydrophobicContact CD2-CE2 3.78Å; L222-F252 HydrophobicContact CD2-CZ 3.59Å; L222-F252 HydrophobicContact CG-CE2 4.41Å; I225-F252 HydrophobicContact CB-CZ 4.11Å; I225-F252 HydrophobicContact CG2-CE1 3.81Å; I225-F252 HydrophobicContact CG2-CZ 3.56Å; V226-F252 HydrophobicContact CG2-CD2 3.92Å; V226-F252 HydrophobicContact CG2-CE2 3.45Å; V226-F252 VanDerWaalsContact CG2-CE2 3.45Å; V226-F252 HydrophobicContact CG2-CZ 3.93Å; H231-F252 HydrophobicContact CB-CD1 3.8Å; H231-F252 HydrophobicContact CB-CE1 3.72Å; H231-F252 HydrophobicContact CB-CG 4.44Å; H231-F252 HydrophobicContact CB-CZ 4.27Å; Y237-F252 HydrophobicContact CD2-CE1 4.11Å; Y237-F252 HydrophobicContact CE2-CE1 4.12Å; L249-F252 HydrophobicContact CD2-CD2 4.49Å; L249-F252 WeakPolarHBondContact O-CB 3.43Å; L249-F252 PolarHBondContact O-N 3.03Å; E250-F252 PolarHBondContact O-N 2.85Å; F252-H254 PolarHBondContact O-N 3.31Å; F252-H254 VanDerWaalsContact O-N 3.12Å; F252-G255 PolarHBondContact O-N 2.62Å; F252-G255 VanDerWaalsContact O-N 3.12Å; F252-V259 HydrophobicContact CB-CG2 4.18Å; F252-V259 HydrophobicContact CD1-CG2 3.66Å; F252-V259 HydrophobicContact CE1-CG2 4.39Å; F252-V259 HydrophobicContact CG-CG2 4.15Å; F252-L379 HydrophobicContact CB-CD2 3.57Å
253	M	82.4	Confident	86.8	Confident	41 Å²	41	40.2 Å²	40.2	20%	0.202	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-27.7	-179.3	-67.8	175.7	54.7	0	0	113.5	L249 E250 L379 N381	L249-M253 PolarHBondContact O-N 2.94Å; E250-M253 WeakPolarHBondContact O-CB 3.31Å; E250-M253 PolarHBondContact O-N 3.38Å; M253-L379 HydrophobicContact CG-CD1 3.76Å; M253-L379 HydrophobicContact CG-CD2 4.09Å; M253-L379 HydrophobicContact CG-CG 4.04Å; M253-L379 HydrophobicContact SD-CD1 4.45Å; M253-N381 VanDerWaalsContact CE-O 3.25Å; M253-N381 WeakPolarHBondContact CE-O 3.42Å
254	H	80.1	Confident	86.9	Confident	168 Å²	168	40.5 Å²	40.5	78%	0.778	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	-10	-179.8	-60.6	-66.7	0	0	0	114.4	F252	F252-H254 PolarHBondContact O-N 3.31Å; F252-H254 VanDerWaalsContact O-N 3.12Å
255	G	78.9	Confident	87	Confident	18 Å²	18	40.7 Å²	40.7	19%	0.186	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-34.1	-179.1	0	0	0	0	0	114.2	H231 V232 K233 F252	H231-G255 CarbonylContact O-C 3.57Å; H231-G255 VanDerWaalsContact O-CA 3.23Å; H231-G255 WeakPolarHBondContact O-CA 3.42Å; V232-G255 WeakPolarHBondContact CA-O 3.32Å; K233-G255 PolarHBondContact N-O 3.06Å; F252-G255 PolarHBondContact O-N 2.62Å; F252-G255 VanDerWaalsContact O-N 3.12Å
256	G	81.6	Confident	87.1	Confident	34 Å²	34	39.1 Å²	39.1	35%	0.351	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	86.8	7.4	179.7	0	0	0	0	0	115.5	K233	K233-G256 WeakPolarHBondContact CA-O 3.46Å
257	A	88.9	Confident	87.2	Confident	7 Å²	7	40.1 Å²	40.1	6%	0.058	21%	0.21	C	C	.	.			trans	-69.5	143.1	161	0	0	0	0	0	110.8	H231 Y235 Y237	H231-A257 VanDerWaalsContact O-CB 3.23Å; H231-A257 WeakPolarHBondContact O-CB 3.5Å; H231-A257 PolarHBondContact O-N 2.91Å; H231-A257 VanDerWaalsContact O-N 3.12Å; Y235-A257 WeakPolarHBondContact O-CA 3.43Å; Y235-A257 WeakPolarHBondContact O-CB 3.39Å; Y237-A257 HydrophobicContact CD2-CB 4.3Å; Y237-A257 HydrophobicContact CE2-CB 4.21Å
258	N	91	Very high	87.2	Confident	69 Å²	69	43.9 Å²	43.9	37%	0.369	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.8	172.9	-74.1	13.6	0	0	0	109.3	Y235 H236 Y237	Y235-N258 PolarHBondContact O-N 3.48Å; H236-N258 CarbonylContact C-O 3.45Å; H236-N258 VanDerWaalsContact CA-O 3.3Å; H236-N258 WeakPolarHBondContact CA-O 3.39Å; H236-N258 HydrophobicContact CB-CB 4.23Å; H236-N258 PolarHBondContact CD2-O 2.82Å; Y237-N258 PolarHBondContact N-O 3.44Å
259	V	93.6	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.6	174.3	-170.2	0	0	0	0	108.7	Y237 V239 F244 L249 F252 E378 L379	Y237-V259 CarbonylContact O-C 3.55Å; Y237-V259 WeakPolarHBondContact O-CA 3.25Å; V239-V259 HydrophobicContact CG2-CG1 4.06Å; F244-V259 HydrophobicContact CE2-CG1 4Å; F244-V259 HydrophobicContact CZ-CG1 4.18Å; L249-V259 HydrophobicContact CD2-CG1 4.42Å; F252-V259 HydrophobicContact CB-CG2 4.18Å; F252-V259 HydrophobicContact CD1-CG2 3.66Å; F252-V259 HydrophobicContact CE1-CG2 4.39Å; F252-V259 HydrophobicContact CG-CG2 4.15Å; V259-E378 WeakPolarHBondContact O-CA 3.43Å; V259-L379 HydrophobicContact CB-CB 3.97Å; V259-L379 HydrophobicContact CB-CD2 4.19Å; V259-L379 HydrophobicContact CG2-CD2 4.12Å; V259-L379 PolarHBondContact O-N 3.12Å
260	T	93.8	Very high	87.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157.2	177.9	54.4	0	0	0	0	110.6	Y149 H236 Y237 I238 V239 F377 E378	Y149-T260 HydrophobicContact CE2-CG2 4.18Å; Y149-T260 WeakPolarHBondContact OH-CG2 3.24Å; H236-T260 WeakPolarHBondContact NE2-CG2 3.35Å; Y237-T260 PolarHBondContact O-N 2.9Å; Y237-T260 PolarHBondContact O-OG1 2.92Å; I238-T260 WeakPolarHBondContact CG1-OG1 3.44Å; V239-T260 PolarHBondContact N-O 3.28Å; T260-F377 WeakPolarHBondContact CA-O 3.47Å; T260-E378 HydrophobicContact CG2-CB 4.15Å; T260-E378 HydrophobicContact CG2-CG 3.81Å
261	G	93.8	Very high	88.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-173.4	175.8	0	0	0	0	0	112.6	V239 F377	V239-G261 WeakPolarHBondContact O-CA 3.43Å; G261-F377 PolarHBondContact N-O 2.91Å; G261-F377 PolarHBondContact O-N 3Å
262	F	93.8	Very high	88.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.3	-169.2	-49.8	-92	0	0	0	111.9	L138 A141 L142 L145 I238 N241 L242 G243 F244 M374 D375 V376	L138-F262 HydrophobicContact CD1-CB 4.38Å; L138-F262 HydrophobicContact CD1-CD1 4.22Å; L138-F262 HydrophobicContact CD1-CD2 3.52Å; L138-F262 HydrophobicContact CD1-CE1 4.42Å; L138-F262 HydrophobicContact CD1-CE2 3.77Å; L138-F262 HydrophobicContact CD1-CG 3.77Å; L138-F262 HydrophobicContact CD1-CZ 4.21Å; A141-F262 HydrophobicContact CB-CD1 4.15Å; A141-F262 HydrophobicContact CB-CE1 3.76Å; A141-F262 HydrophobicContact CB-CZ 4.39Å; L142-F262 HydrophobicContact CD1-CE2 4.16Å; L142-F262 HydrophobicContact CD1-CZ 4.34Å; L145-F262 HydrophobicContact CB-CZ 4.21Å; L145-F262 HydrophobicContact CD2-CE1 4.14Å; L145-F262 HydrophobicContact CD2-CE2 4.23Å; L145-F262 HydrophobicContact CD2-CZ 3.55Å; I238-F262 HydrophobicContact CG2-CE2 4.46Å; N241-F262 WeakPolarHBondContact O-CB 3.38Å; L242-F262 CarbonylContact C-O 3.23Å; L242-F262 VanDerWaalsContact C-O 3.22Å; G243-F262 PolarHBondContact N-O 3.13Å; F244-F262 WeakPolarHBondContact CB-O 3.26Å; F244-F262 PolarHBondContact N-O 2.81Å; F262-M374 HydrophobicContact CB-CE 3.78Å; F262-M374 HydrophobicContact CD1-CE 4.07Å; F262-M374 HydrophobicContact CG-CE 4.04Å; F262-D375 CarbonylContact C-O 3.48Å; F262-D375 WeakPolarHBondContact CA-O 3.35Å; F262-V376 HydrophobicContact CD1-CG2 4.02Å; F262-V376 HydrophobicContact CE1-CG2 4.03Å
263	Q	93	Very high	88.6	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.6	177.8	-175.7	65.5	39.7	0	0	109.1	L242 V265 F267 D375 F377	L242-Q263 WeakPolarHBondContact O-CA 3.14Å; Q263-V265 WeakPolarHBondContact CG-O 3.38Å; Q263-V265 PolarHBondContact NE2-O 2.76Å; Q263-V265 VanDerWaalsContact NE2-O 3.16Å; Q263-F267 VanDerWaalsContact NE2-CE2 3.33Å; Q263-D375 HydrophobicContact CB-CB 4.33Å; Q263-D375 PolarHBondContact N-O 3.36Å; Q263-D375 PolarHBondContact O-N 2.92Å; Q263-F377 HydrophobicContact CB-CD2 3.49Å; Q263-F377 VanDerWaalsContact CB-CD2 3.49Å; Q263-F377 HydrophobicContact CB-CE2 3.55Å; Q263-F377 HydrophobicContact CG-CD2 4.32Å; Q263-F377 HydrophobicContact CG-CE2 3.95Å
264	L	92.7	Very high	89	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.042	25%	0.251	C	S	.	.			trans	-87.4	-33.3	177.5	180	62.8	0	0	0	112.7	P136 L242 L300 T358 M374	P136-L264 HydrophobicContact CG-CD1 3.91Å; P136-L264 HydrophobicContact CG-CD2 3.83Å; L242-L264 HydrophobicContact CB-CB 4.17Å; L242-L264 HydrophobicContact CD1-CD2 4.31Å; L242-L264 PolarHBondContact O-N 3.45Å; L264-L300 HydrophobicContact CD2-CD2 4.03Å; L264-L300 HydrophobicContact CD2-CG 4.4Å; L264-T358 HydrophobicContact CD2-CG2 3.77Å; L264-T358 HydrophobicContact CG-CG2 3.95Å; L264-M374 HydrophobicContact CD1-CG 4.02Å
265	V	91.7	Very high	89.4	Confident	6 Å²	6	37.3 Å²	37.3	4%	0.036	22%	0.218	C	C	.	.	S	Bend	trans	-93.2	114	-179.2	-179.6	0	0	0	0	109.9	Q263 F267 V272 A299 T358	Q263-V265 WeakPolarHBondContact CG-O 3.38Å; Q263-V265 PolarHBondContact NE2-O 2.76Å; Q263-V265 VanDerWaalsContact NE2-O 3.16Å; V265-F267 HydrophobicContact CG1-CD1 4.48Å; V265-F267 HydrophobicContact CG1-CE1 4.29Å; V265-F267 HydrophobicContact CG1-CZ 4.39Å; V265-F267 WeakPolarHBondContact O-CD2 3.32Å; V265-F267 PolarHBondContact O-N 3.18Å; V265-V272 HydrophobicContact CG1-CG1 3.96Å; V265-V272 HydrophobicContact CG1-CG2 4.25Å; V265-A299 HydrophobicContact CG2-CB 3.56Å; V265-T358 HydrophobicContact CG2-CG2 4.03Å
266	D	88.9	Confident	89.8	Confident	52 Å²	52	38 Å²	38	28%	0.278	22%	0.217	S	C	.	.			trans	-85	100.7	172.4	-176.7	1.9	0	0	0	111.3	S268 T269	D266-S268 PolarHBondContact O-N 3.33Å; D266-S268 VanDerWaalsContact O-N 3.13Å; D266-S268 VanDerWaalsContact OD1-CB 3.28Å; D266-S268 WeakPolarHBondContact OD1-CB 3.34Å; D266-S268 PolarHBondContact OD1-N 2.88Å; D266-S268 PolarHBondContact OD1-OG 3.14Å; D266-S268 PolarHBondContact OD2-OG 3.32Å; D266-T269 WeakPolarHBondContact O-CB 3.49Å; D266-T269 PolarHBondContact O-N 3.34Å; D266-T269 VanDerWaalsContact O-N 3.14Å
267	F	86.3	Confident	90.1	Very high	49 Å²	49	42.1 Å²	42.1	22%	0.215	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.7	176.9	-61.6	-81.2	0	0	0	115	K245 Q263 V265 V272 T273 M276	K245-F267 HydrophobicContact CB-CE2 4.09Å; K245-F267 HydrophobicContact CD-CD2 3.81Å; K245-F267 HydrophobicContact CD-CE2 3.78Å; Q263-F267 VanDerWaalsContact NE2-CE2 3.33Å; V265-F267 HydrophobicContact CG1-CD1 4.48Å; V265-F267 HydrophobicContact CG1-CE1 4.29Å; V265-F267 HydrophobicContact CG1-CZ 4.39Å; V265-F267 WeakPolarHBondContact O-CD2 3.32Å; V265-F267 PolarHBondContact O-N 3.18Å; F267-V272 HydrophobicContact CD1-CG1 4.04Å; F267-T273 PolarHBondContact O-OG1 3.04Å; F267-M276 HydrophobicContact CE1-SD 4.46Å
268	S	85.9	Confident	90	Very high	90 Å²	90	47.4 Å²	47.4	63%	0.629	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-19.6	174	77.4	0	0	0	0	113.2	D266	D266-S268 PolarHBondContact O-N 3.33Å; D266-S268 VanDerWaalsContact O-N 3.13Å; D266-S268 VanDerWaalsContact OD1-CB 3.28Å; D266-S268 WeakPolarHBondContact OD1-CB 3.34Å; D266-S268 PolarHBondContact OD1-N 2.88Å; D266-S268 PolarHBondContact OD1-OG 3.14Å; D266-S268 PolarHBondContact OD2-OG 3.32Å
269	T	89.1	Confident	89.9	Confident	41 Å²	41	44.4 Å²	44.4	25%	0.252	23%	0.229	S	C	.	.	S	Bend	trans	-64.3	133.1	-177.8	-67.8	0	0	0	0	111.1	D266 M271 V272 T273	D266-T269 WeakPolarHBondContact O-CB 3.49Å; D266-T269 PolarHBondContact O-N 3.34Å; D266-T269 VanDerWaalsContact O-N 3.14Å; T269-M271 VanDerWaalsContact C-N 3.28Å; T269-M271 HydrophobicContact CG2-CB 4.14Å; T269-M271 PolarHBondContact O-N 3.2Å; T269-V272 HydrophobicContact CG2-CG2 4.45Å; T269-V272 PolarHBondContact O-N 3.46Å; T269-V272 VanDerWaalsContact O-N 3.07Å; T269-T273 PolarHBondContact O-N 2.94Å; T269-T273 PolarHBondContact O-OG1 2.71Å
270	P	89.3	Confident	89.6	Confident	107 Å²	107	52.6 Å²	52.6	70%	0.695	27%	0.265	S	S	*	.	H	α-helix	trans	-57	-35.2	-178.1	-29	35.8	0	0	0	114.8	T273 K274	P270-T273 PolarHBondContact O-N 3.43Å; P270-K274 WeakPolarHBondContact O-CB 3.28Å; P270-K274 PolarHBondContact O-N 3.37Å
271	M	87.5	Confident	89.3	Confident	65 Å²	65	61 Å²	61	32%	0.32	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-46.6	175.3	-179	175.4	171.2	0	0	111.8	T269 K274 L275 Y302 L306 L357	T269-M271 VanDerWaalsContact C-N 3.28Å; T269-M271 HydrophobicContact CG2-CB 4.14Å; T269-M271 PolarHBondContact O-N 3.2Å; M271-K274 PolarHBondContact O-N 3.05Å; M271-L275 PolarHBondContact O-N 3.03Å; M271-Y302 HydrophobicContact CE-CE1 4.16Å; M271-L306 HydrophobicContact CE-CD2 4.25Å; M271-L357 HydrophobicContact CE-CD2 4.19Å; M271-L357 HydrophobicContact CG-CD2 4.21Å
272	V	89.5	Confident	89	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-47	176.8	-178.4	0	0	0	0	109.7	V265 F267 T269 K274 L275 M276 L357	V265-V272 HydrophobicContact CG1-CG1 3.96Å; V265-V272 HydrophobicContact CG1-CG2 4.25Å; F267-V272 HydrophobicContact CD1-CG1 4.04Å; T269-V272 HydrophobicContact CG2-CG2 4.45Å; T269-V272 PolarHBondContact O-N 3.46Å; T269-V272 VanDerWaalsContact O-N 3.07Å; V272-K274 VanDerWaalsContact C-N 3.33Å; V272-K274 PolarHBondContact O-N 2.81Å; V272-L275 PolarHBondContact O-N 3.08Å; V272-L275 VanDerWaalsContact O-N 3.15Å; V272-M276 HydrophobicContact CG1-CG 4.18Å; V272-M276 WeakPolarHBondContact O-CB 3.28Å; V272-M276 VanDerWaalsContact O-CG 3.27Å; V272-M276 WeakPolarHBondContact O-CG 3.48Å; V272-M276 PolarHBondContact O-N 2.85Å; V272-L357 HydrophobicContact CG2-CB 4.35Å; V272-L357 HydrophobicContact CG2-CD2 4.02Å
273	T	89.5	Confident	88.6	Confident	55 Å²	55	66.8 Å²	66.8	34%	0.337	33%	0.332	S	S	.	.	H	α-helix	trans	-56.1	-44.3	176.4	-62.1	0	0	0	0	112.5	F267 T269 P270 M276 Q277	F267-T273 PolarHBondContact O-OG1 3.04Å; T269-T273 PolarHBondContact O-N 2.94Å; T269-T273 PolarHBondContact O-OG1 2.71Å; P270-T273 PolarHBondContact O-N 3.43Å; T273-M276 PolarHBondContact O-N 2.74Å; T273-Q277 WeakPolarHBondContact O-CG 3.01Å; T273-Q277 PolarHBondContact O-N 3.46Å
274	K	89.7	Confident	88	Confident	160 Å²	160	72 Å²	72	70%	0.696	36%	0.357	S	S	*	.	H	α-helix	trans	-65.4	-40.1	177.5	-174.1	177.5	-179.8	-179.6	0	112.1	P270 M271 V272 R278	P270-K274 WeakPolarHBondContact O-CB 3.28Å; P270-K274 PolarHBondContact O-N 3.37Å; M271-K274 PolarHBondContact O-N 3.05Å; V272-K274 VanDerWaalsContact C-N 3.33Å; V272-K274 PolarHBondContact O-N 2.81Å; K274-R278 PolarHBondContact O-N 2.91Å
275	L	88.4	Confident	87.5	Confident	15 Å²	15	82.9 Å²	82.9	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-65.8	-45.2	174	-175.1	66.7	0	0	0	111.1	L46 L50 M271 V272 Q277 R278 W279 Y302 L357	L46-L275 HydrophobicContact CD2-CD1 4Å; L50-L275 HydrophobicContact CD1-CD1 4.33Å; M271-L275 PolarHBondContact O-N 3.03Å; V272-L275 PolarHBondContact O-N 3.08Å; V272-L275 VanDerWaalsContact O-N 3.15Å; L275-Q277 VanDerWaalsContact C-N 3.32Å; L275-Q277 PolarHBondContact O-N 3.42Å; L275-R278 CarbonylContact O-C 3.58Å; L275-R278 WeakPolarHBondContact O-CA 3.44Å; L275-R278 WeakPolarHBondContact O-CB 2.99Å; L275-R278 PolarHBondContact O-N 3.14Å; L275-W279 WeakPolarHBondContact O-CB 3.38Å; L275-W279 PolarHBondContact O-N 2.83Å; L275-Y302 HydrophobicContact CD1-CE2 3.86Å; L275-Y302 HydrophobicContact CD2-CD2 4.1Å; L275-Y302 HydrophobicContact CD2-CE2 4.01Å; L275-L357 HydrophobicContact CB-CD2 4.36Å; L275-L357 HydrophobicContact CD2-CD1 3.37Å; L275-L357 HydrophobicContact CD2-CD2 3.64Å; L275-L357 HydrophobicContact CD2-CG 4.13Å
276	M	87.4	Confident	87.1	Confident	33 Å²	33	86.9 Å²	86.9	16%	0.163	42%	0.415	C	S	.	.	H	α-helix	trans	-56.9	-42	177.4	-73.8	-56.1	-61.1	0	0	112.7	F267 V272 T273 R278 W279 K280 P293 P294	F267-M276 HydrophobicContact CE1-SD 4.46Å; V272-M276 HydrophobicContact CG1-CG 4.18Å; V272-M276 WeakPolarHBondContact O-CB 3.28Å; V272-M276 VanDerWaalsContact O-CG 3.27Å; V272-M276 WeakPolarHBondContact O-CG 3.48Å; V272-M276 PolarHBondContact O-N 2.85Å; T273-M276 PolarHBondContact O-N 2.74Å; M276-R278 VanDerWaalsContact C-N 3.27Å; M276-R278 PolarHBondContact O-N 2.93Å; M276-W279 PolarHBondContact O-N 3.33Å; M276-K280 WeakPolarHBondContact O-CG 3.18Å; M276-K280 PolarHBondContact O-N 2.88Å; M276-K280 VanDerWaalsContact O-N 3.16Å; M276-P293 HydrophobicContact CE-CB 3.79Å; M276-P294 WeakPolarHBondContact SD-CD 3.46Å; M276-P294 HydrophobicContact SD-CG 3.78Å
277	Q	88.4	Confident	86.9	Confident	121 Å²	121	85 Å²	85	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-65.1	-28.6	175.1	-73.4	177.2	1.7	0	0	113.3	T273 L275 K281	T273-Q277 WeakPolarHBondContact O-CG 3.01Å; T273-Q277 PolarHBondContact O-N 3.46Å; L275-Q277 VanDerWaalsContact C-N 3.32Å; L275-Q277 PolarHBondContact O-N 3.42Å; Q277-K281 WeakPolarHBondContact O-CG 3.44Å
278	R	87.1	Confident	86.7	Confident	118 Å²	118	85.2 Å²	85.2	45%	0.445	41%	0.411	S	S	.	.	H	α-helix	trans	-84	-38.8	176.4	-168	170.9	-174.8	157.8	-0.8	111.8	K274 L275 M276 K280 K281	K274-R278 PolarHBondContact O-N 2.91Å; L275-R278 CarbonylContact O-C 3.58Å; L275-R278 WeakPolarHBondContact O-CA 3.44Å; L275-R278 WeakPolarHBondContact O-CB 2.99Å; L275-R278 PolarHBondContact O-N 3.14Å; M276-R278 VanDerWaalsContact C-N 3.27Å; M276-R278 PolarHBondContact O-N 2.93Å; R278-K280 PolarHBondContact O-N 3.47Å; R278-K281 PolarHBondContact O-N 3.2Å
279	W	89	Confident	86.4	Confident	6 Å²	6	82.4 Å²	82.4	2%	0.023	40%	0.396	C	S	.	.	H	α-helix	trans	-57.4	-47.5	176.7	-169.3	-87.7	0	0	0	111.5	Q39 T42 A43 L46 L275 M276 K281 L282 S290 T292 P294	Q39-W279 HydrophobicContact CG-CH2 4.15Å; Q39-W279 HydrophobicContact CG-CZ2 3.7Å; T42-W279 HydrophobicContact CG2-CH2 3.62Å; T42-W279 HydrophobicContact CG2-CZ2 4.08Å; T42-W279 HydrophobicContact CG2-CZ3 4.13Å; A43-W279 HydrophobicContact CB-CH2 4.05Å; A43-W279 HydrophobicContact CB-CZ3 4.13Å; L46-W279 HydrophobicContact CD2-CE3 3.65Å; L46-W279 HydrophobicContact CD2-CZ3 3.81Å; L275-W279 WeakPolarHBondContact O-CB 3.38Å; L275-W279 PolarHBondContact O-N 2.83Å; M276-W279 PolarHBondContact O-N 3.33Å; W279-K281 PolarHBondContact O-N 2.87Å; W279-L282 HydrophobicContact CD2-CD1 4.28Å; W279-L282 HydrophobicContact CE3-CD1 4.16Å; W279-L282 WeakPolarHBondContact O-CB 3.4Å; W279-L282 WeakPolarHBondContact O-CG 3.31Å; W279-L282 PolarHBondContact O-N 3.43Å; W279-L282 VanDerWaalsContact O-N 3.13Å; W279-S290 PolarHBondContact NE1-O 2.8Å; W279-T292 PolarHBondContact NE1-O 3.08Å; W279-P294 HydrophobicContact CD2-CB 4.46Å; W279-P294 HydrophobicContact CD2-CG 4.46Å; W279-P294 HydrophobicContact CH2-CB 4.22Å; W279-P294 HydrophobicContact CZ2-CB 4.09Å; W279-P294 HydrophobicContact CZ3-CB 4.47Å
280	K	86.2	Confident	86	Confident	171 Å²	171	80.8 Å²	80.8	74%	0.743	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-6.3	174.5	-71.5	-175.6	175.9	-169.5	0	115.3	M276 R278	M276-K280 WeakPolarHBondContact O-CG 3.18Å; M276-K280 PolarHBondContact O-N 2.88Å; M276-K280 VanDerWaalsContact O-N 3.16Å; R278-K280 PolarHBondContact O-N 3.47Å
281	K	87.6	Confident	85.4	Confident	177 Å²	177	82.9 Å²	82.9	77%	0.77	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	4.9	179.5	-64.7	179.9	-178.6	-174.5	0	113	Q277 R278 W279	Q277-K281 WeakPolarHBondContact O-CG 3.44Å; R278-K281 PolarHBondContact O-N 3.2Å; W279-K281 PolarHBondContact O-N 2.87Å
282	L	87.3	Confident	85.1	Confident	33 Å²	33	83.5 Å²	83.5	17%	0.173	39%	0.394	C	S	.	.	S	Bend	trans	-74	144.7	175.5	-62.7	173.4	0	0	0	110.3	L46 W279 Y287	L46-L282 HydrophobicContact CD1-CD1 4.5Å; L46-L282 HydrophobicContact CD1-CD2 4.09Å; L46-L282 HydrophobicContact CD2-CD1 4.13Å; W279-L282 HydrophobicContact CD2-CD1 4.28Å; W279-L282 HydrophobicContact CE3-CD1 4.16Å; W279-L282 WeakPolarHBondContact O-CB 3.4Å; W279-L282 WeakPolarHBondContact O-CG 3.31Å; W279-L282 PolarHBondContact O-N 3.43Å; W279-L282 VanDerWaalsContact O-N 3.13Å; L282-Y287 HydrophobicContact CB-CD2 4.15Å; L282-Y287 HydrophobicContact CB-CG 4.42Å; L282-Y287 HydrophobicContact CD1-CG 4.3Å; L282-Y287 HydrophobicContact CD2-CD2 4.04Å; L282-Y287 HydrophobicContact CD2-CE2 4.23Å; L282-Y287 HydrophobicContact CG-CD2 4.48Å
283	D	85.9	Confident	84.8	Confident	89 Å²	89	86.3 Å²	86.3	48%	0.476	41%	0.413	S	S	.	.			trans	-75	124.3	169.8	-175.8	-4.8	0	0	0	109.5	R285 E286 Y287	D283-R285 PolarHBondContact O-N 3.02Å; D283-R285 PolarHBondContact OD1-N 3.41Å; D283-E286 PolarHBondContact O-N 3.19Å; D283-E286 VanDerWaalsContact O-N 3.13Å; D283-Y287 PolarHBondContact O-N 3.3Å
284	Q	80.4	Confident	84.6	Confident	112 Å²	112	84.2 Å²	84.2	52%	0.523	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.2	177.4	-62.8	177	-32.2	0	0	112.6	Y287 E291	Q284-Y287 CarbonylContact O-C 3.55Å; Q284-E291 PolarHBondContact NE2-OE1 2.89Å
285	R	82.8	Confident	84.6	Confident	235 Å²	235	79.6 Å²	79.6	89%	0.887	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-30.9	179.6	-66.4	-179.6	173.3	-173.5	-1.2	113.2	D283	D283-R285 PolarHBondContact O-N 3.02Å; D283-R285 PolarHBondContact OD1-N 3.41Å
286	E	83.4	Confident	84.7	Confident	91 Å²	91	79 Å²	79	43%	0.425	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-31.4	177.7	-168.1	-174	171.7	0	0	111.9	R45 D283	R45-E286 IonicContact CZ-OE1 2.74Å; R45-E286 PolarHBondContact NH1-O 3.46Å; R45-E286 IonicContact NH2-OE1 3.96Å; R45-E286 PolarHBondContact NH2-OE1 2.92Å; D283-E286 PolarHBondContact O-N 3.19Å; D283-E286 VanDerWaalsContact O-N 3.13Å
287	Y	84.4	Confident	84.9	Confident	12 Å²	12	78 Å²	78	5%	0.047	37%	0.372	C	S	.	.	S	Bend	trans	-128.4	83.7	-174.6	-64.5	-78.4	0	0	0	111	T42 R45 L282 D283 Q284 S290	T42-Y287 HydrophobicContact CG2-CD1 3.96Å; T42-Y287 HydrophobicContact CG2-CG 4.32Å; R45-Y287 HydrophobicContact CB-CE1 4.38Å; R45-Y287 HydrophobicContact CG-CE1 4.01Å; L282-Y287 HydrophobicContact CB-CD2 4.15Å; L282-Y287 HydrophobicContact CB-CG 4.42Å; L282-Y287 HydrophobicContact CD1-CG 4.3Å; L282-Y287 HydrophobicContact CD2-CD2 4.04Å; L282-Y287 HydrophobicContact CD2-CE2 4.23Å; L282-Y287 HydrophobicContact CG-CD2 4.48Å; D283-Y287 PolarHBondContact O-N 3.3Å; Q284-Y287 CarbonylContact O-C 3.55Å; Y287-S290 VanDerWaalsContact O-CB 3.27Å; Y287-S290 WeakPolarHBondContact O-CB 3.38Å; Y287-S290 PolarHBondContact O-OG 3.44Å
288	P	82.5	Confident	85	Confident	53 Å²	53	72.2 Å²	72.2	34%	0.344	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	149.9	177.2	27	-34.9	0	0	0	111.7	D38 T42 S290	D38-P288 HydrophobicContact CB-CB 4.27Å; D38-P288 HydrophobicContact CB-CG 4.24Å; T42-P288 WeakPolarHBondContact CB-O 3.5Å; T42-P288 PolarHBondContact OG1-O 3.01Å; P288-S290 VanDerWaalsContact C-N 3.27Å; P288-S290 PolarHBondContact O-N 2.94Å
289	G	78.3	Confident	85.3	Confident	31 Å²	31	66.8 Å²	66.8	32%	0.32	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	5	-177.3	0	0	0	0	0	115.4	Q39 E291	Q39-G289 WeakPolarHBondContact CG-O 3.38Å; Q39-G289 PolarHBondContact NE2-O 2.65Å; Q39-G289 VanDerWaalsContact NE2-O 3.17Å; G289-E291 VanDerWaalsContact C-N 3.26Å; G289-E291 PolarHBondContact O-N 3.2Å
290	S	81.1	Confident	85.6	Confident	8 Å²	8	66.5 Å²	66.5	6%	0.056	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.8	179.1	52.3	0	0	0	0	114.9	W279 Y287 P288 T292	W279-S290 PolarHBondContact NE1-O 2.8Å; Y287-S290 VanDerWaalsContact O-CB 3.27Å; Y287-S290 WeakPolarHBondContact O-CB 3.38Å; Y287-S290 PolarHBondContact O-OG 3.44Å; P288-S290 VanDerWaalsContact C-N 3.27Å; P288-S290 PolarHBondContact O-N 2.94Å; S290-T292 PolarHBondContact O-N 2.92Å
291	E	77.8	Confident	86	Confident	151 Å²	151	58.4 Å²	58.4	71%	0.706	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-37.3	-178.6	-47.1	-165.5	135.6	0	0	113.6	Q284 G289	Q284-E291 PolarHBondContact NE2-OE1 2.89Å; G289-E291 VanDerWaalsContact C-N 3.26Å; G289-E291 PolarHBondContact O-N 3.2Å
292	T	80.9	Confident	86.2	Confident	77 Å²	77	51.6 Å²	51.6	47%	0.472	26%	0.259	S	S	.	.	S	Bend	trans	-95.6	157	179.5	48.4	0	0	0	0	110.4	Q39 W279 S290	Q39-T292 PolarHBondContact NE2-OG1 2.71Å; Q39-T292 VanDerWaalsContact NE2-OG1 3.11Å; W279-T292 PolarHBondContact NE1-O 3.08Å; S290-T292 PolarHBondContact O-N 2.92Å
293	P	82.6	Confident	86.6	Confident	65 Å²	65	50.1 Å²	50.1	42%	0.422	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-53.7	147.3	166.8	25	-35.1	0	0	0	110.6	Q39 M276 K295	Q39-P293 PolarHBondContact NE2-O 3.44Å; Q39-P293 VanDerWaalsContact NE2-O 3.08Å; M276-P293 HydrophobicContact CE-CB 3.79Å; P293-K295 PolarHBondContact O-N 3.02Å
294	P	85.3	Confident	86.9	Confident	11 Å²	11	45.9 Å²	45.9	7%	0.071	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-62.2	122	176.8	26.7	-33	0	0	0	109.9	M276 W279	M276-P294 WeakPolarHBondContact SD-CD 3.46Å; M276-P294 HydrophobicContact SD-CG 3.78Å; W279-P294 HydrophobicContact CD2-CB 4.46Å; W279-P294 HydrophobicContact CD2-CG 4.46Å; W279-P294 HydrophobicContact CH2-CB 4.22Å; W279-P294 HydrophobicContact CZ2-CB 4.09Å; W279-P294 HydrophobicContact CZ3-CB 4.47Å
295	K	89.1	Confident	87.6	Confident	62 Å²	62	40.7 Å²	40.7	27%	0.27	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-54.8	160.1	171.2	-67	168.4	-178.2	176.3	0	111	Q39 I215 D246 P293 T297 S298 A299	Q39-K295 VanDerWaalsContact OE1-CG 3.31Å; I215-K295 HydrophobicContact CD1-CD 4.36Å; D246-K295 WeakPolarHBondContact OD2-CA 3.42Å; P293-K295 PolarHBondContact O-N 3.02Å; K295-T297 WeakPolarHBondContact CB-OG1 3.29Å; K295-T297 PolarHBondContact O-N 3.33Å; K295-T297 VanDerWaalsContact O-N 3.16Å; K295-S298 WeakPolarHBondContact O-CB 3.23Å; K295-S298 PolarHBondContact O-N 3.46Å; K295-A299 PolarHBondContact O-N 3.16Å
296	Y	90.9	Very high	88	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-56.9	-31.4	173.5	83.4	-89	0	0	0	113	R135 I215 L242 D246 A299 L300	R135-Y296 PolarHBondContact NH1-OH 3.48Å; I215-Y296 HydrophobicContact CD1-CD1 4.48Å; I215-Y296 HydrophobicContact CD1-CE1 4Å; L242-Y296 HydrophobicContact CB-CD1 4.33Å; L242-Y296 HydrophobicContact CB-CD2 3.7Å; L242-Y296 HydrophobicContact CB-CE2 3.93Å; L242-Y296 HydrophobicContact CB-CG 3.93Å; L242-Y296 HydrophobicContact CD1-CD2 4.1Å; L242-Y296 HydrophobicContact CD1-CE2 3.92Å; L242-Y296 HydrophobicContact CG-CD2 4.5Å; L242-Y296 HydrophobicContact CG-CE2 4.38Å; D246-Y296 PolarHBondContact OD2-N 3.34Å; Y296-A299 PolarHBondContact O-N 2.66Å; Y296-L300 HydrophobicContact CD2-CD1 3.87Å; Y296-L300 HydrophobicContact CE2-CD1 4.16Å; Y296-L300 WeakPolarHBondContact O-CB 3.44Å; Y296-L300 VanDerWaalsContact O-CG 3.27Å; Y296-L300 WeakPolarHBondContact O-CG 3.28Å; Y296-L300 PolarHBondContact O-N 3.19Å
297	T	91.2	Very high	88.5	Confident	11 Å²	11	27.8 Å²	27.8	7%	0.067	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-44.2	173.7	44	0	0	0	0	112.6	E40 K295 L300 T301	E40-T297 VanDerWaalsContact OE1-CB 3.3Å; E40-T297 WeakPolarHBondContact OE1-CB 3.47Å; E40-T297 PolarHBondContact OE1-OG1 3.42Å; K295-T297 WeakPolarHBondContact CB-OG1 3.29Å; K295-T297 PolarHBondContact O-N 3.33Å; K295-T297 VanDerWaalsContact O-N 3.16Å; T297-L300 PolarHBondContact O-N 2.94Å; T297-T301 WeakPolarHBondContact O-CB 3.44Å; T297-T301 PolarHBondContact O-N 2.64Å; T297-T301 PolarHBondContact O-OG1 3.33Å
298	S	91.6	Very high	88.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65	-39	174.4	-57.3	0	0	0	0	111.6	Q39 E40 A43 K295 T301 Y302	Q39-S298 PolarHBondContact OE1-OG 3.49Å; E40-S298 PolarHBondContact N-OG 3.27Å; A43-S298 WeakPolarHBondContact CB-O 3.46Å; K295-S298 WeakPolarHBondContact O-CB 3.23Å; K295-S298 PolarHBondContact O-N 3.46Å; S298-T301 WeakPolarHBondContact O-CB 3.41Å; S298-T301 PolarHBondContact O-N 2.77Å; S298-Y302 PolarHBondContact O-N 3.32Å
299	A	93	Very high	89.3	Confident	3 Å²	3	24.8 Å²	24.8	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-41.8	174.3	0	0	0	0	0	112.7	V265 K295 Y296 T301 Y302 D303 L357 T358	V265-A299 HydrophobicContact CG2-CB 3.56Å; K295-A299 PolarHBondContact O-N 3.16Å; Y296-A299 PolarHBondContact O-N 2.66Å; A299-T301 VanDerWaalsContact C-N 3.32Å; A299-T301 PolarHBondContact O-N 3.13Å; A299-Y302 WeakPolarHBondContact O-CB 3.36Å; A299-Y302 PolarHBondContact O-N 3.2Å; A299-D303 PolarHBondContact O-N 3.38Å; A299-L357 HydrophobicContact CB-CB 4.25Å; A299-L357 HydrophobicContact CB-CD1 4.13Å; A299-T358 HydrophobicContact CB-CG2 4.15Å
300	L	94.6	Very high	89.9	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-40.8	171.7	-73.6	170.4	0	0	0	111.5	P120 L134 R135 L264 Y296 T297 Y302 D303 G304 T358	P120-L300 HydrophobicContact CB-CB 3.71Å; P120-L300 HydrophobicContact CB-CD1 4.37Å; L134-L300 HydrophobicContact CB-CB 4.45Å; L134-L300 HydrophobicContact CB-CD2 3.98Å; L134-L300 WeakPolarHBondContact CD1-O 3.32Å; L134-L300 WeakPolarHBondContact O-CD2 3.3Å; R135-L300 HydrophobicContact CB-CD1 4.04Å; R135-L300 HydrophobicContact CG-CD1 4.11Å; L264-L300 HydrophobicContact CD2-CD2 4.03Å; L264-L300 HydrophobicContact CD2-CG 4.4Å; Y296-L300 HydrophobicContact CD2-CD1 3.87Å; Y296-L300 HydrophobicContact CE2-CD1 4.16Å; Y296-L300 WeakPolarHBondContact O-CB 3.44Å; Y296-L300 VanDerWaalsContact O-CG 3.27Å; Y296-L300 WeakPolarHBondContact O-CG 3.28Å; Y296-L300 PolarHBondContact O-N 3.19Å; T297-L300 PolarHBondContact O-N 2.94Å; L300-Y302 PolarHBondContact O-N 2.74Å; L300-D303 PolarHBondContact O-N 3.45Å; L300-G304 PolarHBondContact O-N 2.78Å; L300-T358 HydrophobicContact CD2-CG2 3.85Å; L300-T358 HydrophobicContact CG-CG2 4.14Å
301	T	94.6	Very high	90.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-43.8	177.2	-62.1	0	0	0	0	112.1	E40 F44 F95 T297 S298 A299 G304 V305	E40-T301 WeakPolarHBondContact O-CG2 3.36Å; F44-T301 HydrophobicContact CB-CG2 3.66Å; F44-T301 HydrophobicContact CD2-CG2 4.35Å; F95-T301 HydrophobicContact CE1-CG2 3.64Å; F95-T301 HydrophobicContact CE2-CG2 4.38Å; F95-T301 HydrophobicContact CZ-CG2 3.49Å; F95-T301 VanDerWaalsContact CZ-CG2 3.49Å; T297-T301 WeakPolarHBondContact O-CB 3.44Å; T297-T301 PolarHBondContact O-N 2.64Å; T297-T301 PolarHBondContact O-OG1 3.33Å; S298-T301 WeakPolarHBondContact O-CB 3.41Å; S298-T301 PolarHBondContact O-N 2.77Å; A299-T301 VanDerWaalsContact C-N 3.32Å; A299-T301 PolarHBondContact O-N 3.13Å; T301-G304 PolarHBondContact O-N 2.78Å; T301-V305 PolarHBondContact O-N 3.16Å
302	Y	93.4	Very high	91	Very high	34 Å²	34	17.1 Å²	17.1	13%	0.133	9%	0.093	C	C	.	.	H	α-helix	trans	-59.8	-48.1	173.9	-176.9	-78.7	0	0	0	112	A47 L50 M271 L275 S298 A299 L300 G304 V305 L306 L357	A47-Y302 HydrophobicContact CB-CD2 3.71Å; A47-Y302 HydrophobicContact CB-CE2 4.07Å; A47-Y302 HydrophobicContact CB-CG 4.15Å; L50-Y302 HydrophobicContact CD1-CE2 3.76Å; L50-Y302 WeakPolarHBondContact CD1-OH 3.49Å; M271-Y302 HydrophobicContact CE-CE1 4.16Å; L275-Y302 HydrophobicContact CD1-CE2 3.86Å; L275-Y302 HydrophobicContact CD2-CD2 4.1Å; L275-Y302 HydrophobicContact CD2-CE2 4.01Å; S298-Y302 PolarHBondContact O-N 3.32Å; A299-Y302 WeakPolarHBondContact O-CB 3.36Å; A299-Y302 PolarHBondContact O-N 3.2Å; L300-Y302 PolarHBondContact O-N 2.74Å; Y302-G304 VanDerWaalsContact C-N 3.27Å; Y302-G304 PolarHBondContact O-N 3.4Å; Y302-V305 PolarHBondContact O-N 3.11Å; Y302-L306 PolarHBondContact O-N 2.98Å; Y302-L357 HydrophobicContact CD1-CD1 3.48Å; Y302-L357 VanDerWaalsContact CD1-CD1 3.48Å; Y302-L357 HydrophobicContact CD1-CG 3.75Å; Y302-L357 HydrophobicContact CD2-CD1 4.3Å; Y302-L357 HydrophobicContact CE1-CD1 4.16Å; Y302-L357 HydrophobicContact CE1-CD2 4.46Å; Y302-L357 HydrophobicContact CE1-CG 4.13Å; Y302-L357 HydrophobicContact CG-CD1 3.59Å; Y302-L357 HydrophobicContact CG-CG 4.37Å
303	D	94.1	Very high	91.3	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.011	8%	0.079	C	C	.	.	H	α-helix	trans	-63.6	-33.8	177.8	-72.4	-12.6	0	0	0	111.7	A299 L300 V305 L306 V307 G356 L357 T358	A299-D303 PolarHBondContact O-N 3.38Å; L300-D303 PolarHBondContact O-N 3.45Å; D303-V305 PolarHBondContact O-N 3.19Å; D303-L306 WeakPolarHBondContact O-CB 3.02Å; D303-L306 PolarHBondContact O-N 3.2Å; D303-L306 VanDerWaalsContact O-N 3.14Å; D303-V307 WeakPolarHBondContact O-CG2 3.36Å; D303-V307 PolarHBondContact O-N 2.6Å; D303-G356 VanDerWaalsContact OD1-CA 3.24Å; D303-G356 WeakPolarHBondContact OD1-CA 3.39Å; D303-L357 PolarHBondContact OD1-N 3.18Å; D303-L357 PolarHBondContact OD2-N 2.84Å; D303-L357 VanDerWaalsContact OD2-N 3.17Å; D303-T358 WeakPolarHBondContact OD2-CB 3.25Å; D303-T358 PolarHBondContact OD2-N 3.45Å; D303-T358 PolarHBondContact OD2-OG1 3.22Å
304	G	93.9	Very high	91.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.9	-43.2	174.7	0	0	0	0	0	113.7	L134 L300 T301 Y302 L306 V307 M308	L134-G304 VanDerWaalsContact CD1-CA 3.46Å; L300-G304 PolarHBondContact O-N 2.78Å; T301-G304 PolarHBondContact O-N 2.78Å; Y302-G304 VanDerWaalsContact C-N 3.27Å; Y302-G304 PolarHBondContact O-N 3.4Å; G304-L306 VanDerWaalsContact C-N 3.3Å; G304-L306 PolarHBondContact O-N 2.89Å; G304-V307 PolarHBondContact O-N 3.31Å; G304-M308 WeakPolarHBondContact O-CG 3.41Å; G304-M308 PolarHBondContact O-N 3.45Å
305	V	93.4	Very high	91.8	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-64.9	-37.3	173.6	-179.8	0	0	0	0	111	F44 A47 I48 L64 T301 Y302 D303 M308 A309	F44-V305 HydrophobicContact CD2-CG2 3.4Å; F44-V305 VanDerWaalsContact CD2-CG2 3.4Å; F44-V305 HydrophobicContact CE2-CG2 3.77Å; F44-V305 HydrophobicContact CG-CG2 4.32Å; A47-V305 HydrophobicContact CB-CB 3.71Å; A47-V305 HydrophobicContact CB-CG1 3.88Å; A47-V305 HydrophobicContact CB-CG2 3.94Å; I48-V305 HydrophobicContact CG1-CG1 3.75Å; I48-V305 HydrophobicContact CG1-CG2 4.41Å; L64-V305 HydrophobicContact CD1-CG1 4.11Å; T301-V305 PolarHBondContact O-N 3.16Å; Y302-V305 PolarHBondContact O-N 3.11Å; D303-V305 PolarHBondContact O-N 3.19Å; V305-M308 PolarHBondContact O-N 3.03Å; V305-A309 WeakPolarHBondContact O-CB 3.49Å; V305-A309 PolarHBondContact O-N 3.01Å
306	L	92.1	Very high	91.6	Very high	56 Å²	56	15.8 Å²	15.8	29%	0.293	7%	0.07	S	C	.	.	H	α-helix	trans	-66.8	-38.4	177.4	-165.8	62.2	0	0	0	112	M271 Y302 D303 G304 A309 E310 I354	M271-L306 HydrophobicContact CE-CD2 4.25Å; Y302-L306 PolarHBondContact O-N 2.98Å; D303-L306 WeakPolarHBondContact O-CB 3.02Å; D303-L306 PolarHBondContact O-N 3.2Å; D303-L306 VanDerWaalsContact O-N 3.14Å; G304-L306 VanDerWaalsContact C-N 3.3Å; G304-L306 PolarHBondContact O-N 2.89Å; L306-A309 PolarHBondContact O-N 2.88Å; L306-E310 PolarHBondContact O-N 3.2Å; L306-I354 HydrophobicContact CB-CD1 3.93Å; L306-I354 HydrophobicContact CD2-CD1 3.92Å; L306-I354 HydrophobicContact CG-CD1 3.73Å
307	V	94.2	Very high	91.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-45	171.5	171.8	0	0	0	0	111.3	L132 D303 G304 E310 T311 L349 V352 I354 V361 F363	L132-V307 HydrophobicContact CD2-CG1 3.76Å; D303-V307 WeakPolarHBondContact O-CG2 3.36Å; D303-V307 PolarHBondContact O-N 2.6Å; G304-V307 PolarHBondContact O-N 3.31Å; V307-E310 PolarHBondContact O-N 3.14Å; V307-T311 WeakPolarHBondContact O-CB 3.16Å; V307-T311 PolarHBondContact O-N 3Å; V307-T311 PolarHBondContact O-OG1 3.36Å; V307-L349 HydrophobicContact CG1-CD2 4.07Å; V307-V352 HydrophobicContact CG1-CB 4.28Å; V307-V352 HydrophobicContact CG1-CG1 4.21Å; V307-V352 HydrophobicContact CG1-CG2 4.36Å; V307-V352 HydrophobicContact CG2-CG1 4.39Å; V307-I354 HydrophobicContact CB-CD1 4.44Å; V307-I354 HydrophobicContact CG2-CD1 3.58Å; V307-I354 HydrophobicContact CG2-CG1 4.22Å; V307-V361 HydrophobicContact CG2-CG1 3.92Å; V307-F363 HydrophobicContact CG1-CE2 4.1Å; V307-F363 HydrophobicContact CG1-CZ 4.47Å; V307-F363 HydrophobicContact CG2-CE2 4.22Å; V307-F363 HydrophobicContact CG2-CZ 4.26Å
308	M	92.6	Very high	91.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-48.3	175.1	-72.8	-173.5	172.8	0	0	111.7	I29 A93 F95 I118 G304 V305 E310 T311 F312	I29-M308 HydrophobicContact CD1-SD 4.27Å; I29-M308 HydrophobicContact CG2-SD 4.48Å; A93-M308 HydrophobicContact CB-CE 4.18Å; F95-M308 HydrophobicContact CB-CE 3.67Å; F95-M308 HydrophobicContact CD2-CE 4.37Å; I118-M308 HydrophobicContact CB-CE 3.76Å; I118-M308 HydrophobicContact CD1-CE 3.76Å; I118-M308 HydrophobicContact CG1-CE 3.75Å; I118-M308 HydrophobicContact CG1-CG 4.31Å; I118-M308 HydrophobicContact CG2-CE 4.48Å; G304-M308 WeakPolarHBondContact O-CG 3.41Å; G304-M308 PolarHBondContact O-N 3.45Å; V305-M308 PolarHBondContact O-N 3.03Å; M308-E310 PolarHBondContact O-N 2.87Å; M308-T311 WeakPolarHBondContact O-CB 3.5Å; M308-T311 PolarHBondContact O-N 3.28Å; M308-F312 HydrophobicContact CB-CE2 4.32Å; M308-F312 WeakPolarHBondContact O-CD2 3.5Å; M308-F312 PolarHBondContact O-N 3.07Å
309	A	90.7	Very high	90.8	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-44.8	179.5	0	0	0	0	0	112.2	L64 V305 L306 T311 R313	L64-A309 HydrophobicContact CD1-CB 4.41Å; V305-A309 WeakPolarHBondContact O-CB 3.49Å; V305-A309 PolarHBondContact O-N 3.01Å; L306-A309 PolarHBondContact O-N 2.88Å; A309-T311 VanDerWaalsContact C-N 3.33Å; A309-T311 PolarHBondContact O-N 3.43Å; A309-R313 VanDerWaalsContact O-CB 3.32Å; A309-R313 WeakPolarHBondContact O-CB 3.34Å; A309-R313 PolarHBondContact O-N 2.83Å
310	E	90.7	Very high	90.3	Very high	29 Å²	29	38.1 Å²	38.1	14%	0.136	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-33.1	176.7	-173	57.5	-151.8	0	0	112.2	L306 V307 M308 R313 N314 R317 V352 I354	L306-E310 PolarHBondContact O-N 3.2Å; V307-E310 PolarHBondContact O-N 3.14Å; M308-E310 PolarHBondContact O-N 2.87Å; E310-R313 WeakPolarHBondContact O-CB 3.23Å; E310-R313 PolarHBondContact O-N 3.22Å; E310-R313 WeakPolarHBondContact OE2-CD 3.47Å; E310-R313 IonicContact OE2-CZ 3.15Å; E310-R313 VanDerWaalsContact OE2-CZ 3.29Å; E310-R313 IonicContact OE2-NE 3.28Å; E310-R313 IonicContact OE2-NH1 2.72Å; E310-R313 PolarHBondContact OE2-NH1 3.43Å; E310-N314 WeakPolarHBondContact O-CB 3.28Å; E310-N314 PolarHBondContact O-N 3.39Å; E310-N314 PolarHBondContact O-ND2 3.48Å; E310-N314 VanDerWaalsContact O-ND2 3.13Å; E310-N314 PolarHBondContact OE1-ND2 3.04Å; E310-N314 PolarHBondContact OE1-OD1 3.43Å; E310-R317 IonicContact OE1-NH1 3.37Å; E310-R317 PolarHBondContact OE1-NH1 2.03Å; E310-V352 HydrophobicContact CB-CG1 4.14Å; E310-V352 HydrophobicContact CG-CG1 4.09Å; E310-I354 HydrophobicContact CB-CG2 4.14Å; E310-I354 HydrophobicContact CG-CG2 3.94Å
311	T	91.7	Very high	89.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-54.9	174.5	-57	0	0	0	0	111.1	V307 M308 A309 R313 N314 L315 M345 T348 L349 V352	V307-T311 WeakPolarHBondContact O-CB 3.16Å; V307-T311 PolarHBondContact O-N 3Å; V307-T311 PolarHBondContact O-OG1 3.36Å; M308-T311 WeakPolarHBondContact O-CB 3.5Å; M308-T311 PolarHBondContact O-N 3.28Å; A309-T311 VanDerWaalsContact C-N 3.33Å; A309-T311 PolarHBondContact O-N 3.43Å; T311-R313 VanDerWaalsContact C-N 3.26Å; T311-R313 PolarHBondContact O-N 2.89Å; T311-N314 PolarHBondContact O-N 2.96Å; T311-L315 HydrophobicContact CG2-CD1 4.08Å; T311-L315 WeakPolarHBondContact O-CG 3.45Å; T311-L315 PolarHBondContact O-N 3.42Å; T311-M345 HydrophobicContact CG2-CE 3.82Å; T311-M345 HydrophobicContact CG2-SD 3.67Å; T311-T348 HydrophobicContact CG2-CG2 3.89Å; T311-L349 HydrophobicContact CG2-CD2 3.96Å; T311-L349 HydrophobicContact CG2-CG 3.76Å; T311-L349 WeakPolarHBondContact OG1-CD2 3.49Å; T311-V352 WeakPolarHBondContact OG1-CG2 3.37Å
312	F	90.1	Very high	89.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-34	178.9	-67.2	-59.4	0	0	0	111.9	F23 V27 I29 F62 L64 F92 A93 M308 L315 R316 I322 M345	F23-F312 HydrophobicContact CZ-CB 4.3Å; F23-F312 WeakPolarHBondContact CZ-O 3.35Å; V27-F312 HydrophobicContact CG1-CD1 3.96Å; V27-F312 HydrophobicContact CG1-CD2 3.92Å; V27-F312 HydrophobicContact CG1-CE1 3.65Å; V27-F312 HydrophobicContact CG1-CE2 3.62Å; V27-F312 HydrophobicContact CG1-CG 4.1Å; V27-F312 HydrophobicContact CG1-CZ 3.47Å; V27-F312 VanDerWaalsContact CG1-CZ 3.47Å; I29-F312 HydrophobicContact CG2-CE2 4.01Å; I29-F312 HydrophobicContact CG2-CZ 4.25Å; F62-F312 HydrophobicContact CE1-CB 3.7Å; F62-F312 HydrophobicContact CE2-CB 3.91Å; F62-F312 HydrophobicContact CE2-CD2 4.5Å; F62-F312 HydrophobicContact CZ-CB 3.35Å; F62-F312 HydrophobicContact CZ-CG 4.41Å; L64-F312 HydrophobicContact CD2-CD2 4.03Å; L64-F312 HydrophobicContact CD2-CE2 4.18Å; F92-F312 HydrophobicContact CB-CE1 3.96Å; F92-F312 HydrophobicContact CB-CZ 3.99Å; A93-F312 HydrophobicContact CB-CZ 4.41Å; M308-F312 HydrophobicContact CB-CE2 4.32Å; M308-F312 WeakPolarHBondContact O-CD2 3.5Å; M308-F312 PolarHBondContact O-N 3.07Å; F312-L315 HydrophobicContact CD1-CD1 4.31Å; F312-R316 WeakPolarHBondContact O-CB 3.39Å; F312-R316 PolarHBondContact O-N 3.33Å; F312-R316 VanDerWaalsContact O-N 3.1Å; F312-I322 HydrophobicContact CD1-CD1 3.96Å; F312-I322 HydrophobicContact CE1-CD1 4.19Å; F312-M345 HydrophobicContact CD1-CE 4.15Å; F312-M345 HydrophobicContact CD1-SD 4.3Å; F312-M345 HydrophobicContact CE1-CE 3.43Å; F312-M345 VanDerWaalsContact CE1-CE 3.43Å; F312-M345 HydrophobicContact CE1-SD 3.83Å; F312-M345 HydrophobicContact CE2-CE 4.07Å; F312-M345 HydrophobicContact CZ-CE 3.38Å; F312-M345 HydrophobicContact CZ-SD 4.39Å
313	R	88.3	Confident	88.4	Confident	46 Å²	46	41 Å²	41	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-42.2	171.9	-167.8	-173	-65	164.2	-5.6	111.7	E59 F62 A309 E310 T311 R317	E59-R313 PolarHBondContact O-NE 3.47Å; E59-R313 PolarHBondContact O-NH2 3.1Å; F62-R313 HydrophobicContact CE1-CB 4.5Å; A309-R313 VanDerWaalsContact O-CB 3.32Å; A309-R313 WeakPolarHBondContact O-CB 3.34Å; A309-R313 PolarHBondContact O-N 2.83Å; E310-R313 WeakPolarHBondContact O-CB 3.23Å; E310-R313 PolarHBondContact O-N 3.22Å; E310-R313 WeakPolarHBondContact OE2-CD 3.47Å; E310-R313 IonicContact OE2-CZ 3.15Å; E310-R313 VanDerWaalsContact OE2-CZ 3.29Å; E310-R313 IonicContact OE2-NE 3.28Å; E310-R313 IonicContact OE2-NH1 2.72Å; E310-R313 PolarHBondContact OE2-NH1 3.43Å; T311-R313 VanDerWaalsContact C-N 3.26Å; T311-R313 PolarHBondContact O-N 2.89Å; R313-R317 WeakPolarHBondContact O-CG 3.5Å; R313-R317 PolarHBondContact O-N 2.78Å
314	N	89.4	Confident	87.5	Confident	34 Å²	34	43.1 Å²	43.1	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-74.9	-38.2	179.5	-73.7	-35.6	0	0	0	113.4	E310 T311 R316 R317 Q318 T348	E310-N314 WeakPolarHBondContact O-CB 3.28Å; E310-N314 PolarHBondContact O-N 3.39Å; E310-N314 PolarHBondContact O-ND2 3.48Å; E310-N314 VanDerWaalsContact O-ND2 3.13Å; E310-N314 PolarHBondContact OE1-ND2 3.04Å; E310-N314 PolarHBondContact OE1-OD1 3.43Å; T311-N314 PolarHBondContact O-N 2.96Å; N314-R316 VanDerWaalsContact C-N 3.3Å; N314-R316 PolarHBondContact O-N 2.76Å; N314-R317 PolarHBondContact O-N 3.33Å; N314-R317 WeakPolarHBondContact OD1-CD 3.49Å; N314-R317 PolarHBondContact OD1-NH1 3.45Å; N314-Q318 WeakPolarHBondContact O-CB 3.08Å; N314-Q318 VanDerWaalsContact O-CG 3.32Å; N314-Q318 WeakPolarHBondContact O-CG 3.36Å; N314-Q318 PolarHBondContact O-N 3.25Å; N314-T348 HydrophobicContact CB-CG2 3.8Å
315	L	88.5	Confident	86.2	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-43.9	171	-71.6	167.5	0	0	0	111.5	F23 T311 F312 Q318 K319 I320 I322 M345 T348	F23-L315 HydrophobicContact CE2-CB 4.25Å; T311-L315 HydrophobicContact CG2-CD1 4.08Å; T311-L315 WeakPolarHBondContact O-CG 3.45Å; T311-L315 PolarHBondContact O-N 3.42Å; F312-L315 HydrophobicContact CD1-CD1 4.31Å; L315-Q318 CarbonylContact O-C 3.56Å; L315-Q318 PolarHBondContact O-N 3.47Å; L315-K319 PolarHBondContact O-N 3.21Å; L315-K319 VanDerWaalsContact O-N 3.12Å; L315-I320 HydrophobicContact CD2-CB 4.21Å; L315-I320 HydrophobicContact CD2-CD1 3.97Å; L315-I320 HydrophobicContact CD2-CG2 4.25Å; L315-I320 PolarHBondContact O-N 3.1Å; L315-I322 HydrophobicContact CD1-CG2 4.05Å; L315-M345 HydrophobicContact CD1-SD 3.42Å; L315-M345 WeakPolarHBondContact CD1-SD 3.18Å; L315-T348 HydrophobicContact CD2-CG2 4.37Å; L315-T348 VanDerWaalsContact CD2-OG1 3.26Å; L315-T348 WeakPolarHBondContact CD2-OG1 3.4Å; L315-T348 HydrophobicContact CG-CG2 4.11Å
316	R	85.4	Confident	85.1	Confident	105 Å²	105	56.4 Å²	56.4	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-41.3	174.5	-174.8	171.7	173.1	167.2	-10.4	112.9	F23 P61 F312 N314 Q318 K319	F23-R316 HydrophobicContact CB-CG 4.21Å; F23-R316 HydrophobicContact CD1-CB 4.27Å; F23-R316 HydrophobicContact CD1-CG 4.23Å; F23-R316 HydrophobicContact CD2-CB 3.75Å; F23-R316 HydrophobicContact CD2-CG 4.09Å; F23-R316 HydrophobicContact CE1-CB 4.28Å; F23-R316 HydrophobicContact CE2-CB 3.76Å; F23-R316 HydrophobicContact CG-CB 4.01Å; F23-R316 HydrophobicContact CG-CG 3.91Å; F23-R316 HydrophobicContact CZ-CB 4.03Å; P61-R316 PolarHBondContact O-NH1 2.84Å; F312-R316 WeakPolarHBondContact O-CB 3.39Å; F312-R316 PolarHBondContact O-N 3.33Å; F312-R316 VanDerWaalsContact O-N 3.1Å; N314-R316 VanDerWaalsContact C-N 3.3Å; N314-R316 PolarHBondContact O-N 2.76Å; R316-Q318 VanDerWaalsContact C-N 3.32Å; R316-Q318 PolarHBondContact O-N 2.9Å; R316-K319 PolarHBondContact O-N 2.94Å; R316-K319 VanDerWaalsContact O-N 3.1Å
317	R	86	Confident	84.2	Confident	153 Å²	153	61.4 Å²	61.4	58%	0.577	29%	0.286	S	S	*	.	H	α-helix	trans	-61.9	-38.9	174.3	-76.4	169.9	174.4	156.2	-2.9	112.1	E310 R313 N314 K319	E310-R317 IonicContact OE1-NH1 3.37Å; E310-R317 PolarHBondContact OE1-NH1 2.03Å; R313-R317 WeakPolarHBondContact O-CG 3.5Å; R313-R317 PolarHBondContact O-N 2.78Å; N314-R317 PolarHBondContact O-N 3.33Å; N314-R317 WeakPolarHBondContact OD1-CD 3.49Å; N314-R317 PolarHBondContact OD1-NH1 3.45Å; R317-K319 PolarHBondContact O-N 3.23Å
318	Q	86.8	Confident	83.2	Confident	100 Å²	100	62.5 Å²	62.5	47%	0.467	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-4	175.7	-67.8	174.3	3.6	0	0	113.2	N314 L315 R316 I320	N314-Q318 WeakPolarHBondContact O-CB 3.08Å; N314-Q318 VanDerWaalsContact O-CG 3.32Å; N314-Q318 WeakPolarHBondContact O-CG 3.36Å; N314-Q318 PolarHBondContact O-N 3.25Å; L315-Q318 CarbonylContact O-C 3.56Å; L315-Q318 PolarHBondContact O-N 3.47Å; R316-Q318 VanDerWaalsContact C-N 3.32Å; R316-Q318 PolarHBondContact O-N 2.9Å; Q318-I320 HydrophobicContact CB-CD1 4.03Å; Q318-I320 HydrophobicContact CB-CG1 3.98Å; Q318-I320 PolarHBondContact O-N 3.21Å
319	K	83.6	Confident	82.6	Confident	191 Å²	191	64.5 Å²	64.5	83%	0.83	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	30.2	-176.4	-54.8	-178.7	-178.7	178.3	0	113.7	L315 R316 R317	L315-K319 PolarHBondContact O-N 3.21Å; L315-K319 VanDerWaalsContact O-N 3.12Å; R316-K319 PolarHBondContact O-N 2.94Å; R316-K319 VanDerWaalsContact O-N 3.1Å; R317-K319 PolarHBondContact O-N 3.23Å
320	I	83.3	Confident	82.3	Confident	43 Å²	43	68.9 Å²	68.9	22%	0.221	34%	0.339	C	S	.	.			trans	-79.3	121.3	174.4	-61.6	176.3	0	0	0	108.2	L315 Q318 I322 D344	L315-I320 HydrophobicContact CD2-CB 4.21Å; L315-I320 HydrophobicContact CD2-CD1 3.97Å; L315-I320 HydrophobicContact CD2-CG2 4.25Å; L315-I320 PolarHBondContact O-N 3.1Å; Q318-I320 HydrophobicContact CB-CD1 4.03Å; Q318-I320 HydrophobicContact CB-CG1 3.98Å; Q318-I320 PolarHBondContact O-N 3.21Å; I320-I322 PolarHBondContact O-N 2.8Å; I320-D344 HydrophobicContact CD1-CB 4.49Å
321	D	79.9	Confident	82.1	Confident	54 Å²	54	67.9 Å²	67.9	29%	0.289	34%	0.335	S	S	.	.			trans	-80.8	112	175.7	-179.2	10.8	0	0	0	110	S323	D321-S323 VanDerWaalsContact CG-OG 3.26Å; D321-S323 WeakPolarHBondContact OD1-CB 3.43Å; D321-S323 PolarHBondContact OD1-N 2.98Å; D321-S323 PolarHBondContact OD1-OG 3.46Å; D321-S323 PolarHBondContact OD2-OG 2.9Å; D321-S323 VanDerWaalsContact OD2-OG 3.14Å
322	I	82.3	Confident	81.9	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.01	37%	0.365	C	S	.	.			trans	-92	-0.2	177.9	60.4	170.8	0	0	0	113.3	F23 P24 F92 F312 L315 I320 R324 W339	F23-I322 HydrophobicContact CD2-CG1 4.3Å; F23-I322 HydrophobicContact CE1-CD1 4.33Å; F23-I322 HydrophobicContact CE2-CD1 3.69Å; F23-I322 HydrophobicContact CE2-CG1 3.86Å; F23-I322 HydrophobicContact CZ-CD1 3.58Å; F23-I322 HydrophobicContact CZ-CG1 4.23Å; P24-I322 HydrophobicContact CG-CD1 4.05Å; P24-I322 HydrophobicContact CG-CG1 3.99Å; F92-I322 VanDerWaalsContact CE1-O 3.24Å; F92-I322 WeakPolarHBondContact CE1-O 3.41Å; F312-I322 HydrophobicContact CD1-CD1 3.96Å; F312-I322 HydrophobicContact CE1-CD1 4.19Å; L315-I322 HydrophobicContact CD1-CG2 4.05Å; I320-I322 PolarHBondContact O-N 2.8Å; I322-R324 PolarHBondContact O-N 2.9Å; I322-W339 HydrophobicContact CB-CZ2 4.41Å
323	S	79.3	Confident	81.6	Confident	41 Å²	41	75.8 Å²	75.8	29%	0.287	38%	0.383	S	S	.	.			trans	-62.5	126.1	-175.1	66	0	0	0	0	112	D321 R325	D321-S323 VanDerWaalsContact CG-OG 3.26Å; D321-S323 WeakPolarHBondContact OD1-CB 3.43Å; D321-S323 PolarHBondContact OD1-N 2.98Å; D321-S323 PolarHBondContact OD1-OG 3.46Å; D321-S323 PolarHBondContact OD2-OG 2.9Å; D321-S323 VanDerWaalsContact OD2-OG 3.14Å; S323-R325 PolarHBondContact O-N 3.43Å
324	R	74.5	Confident	81.3	Confident	46 Å²	46	81.2 Å²	81.2	17%	0.174	42%	0.416	C	S	.	.			trans	-75.2	121.1	175.5	-75.4	-172.9	176.5	-173.9	9	109.6	V91 F92 I322 G326	V91-R324 PolarHBondContact O-NH2 2.86Å; F92-R324 HydrophobicContact CE1-CG 4.22Å; I322-R324 PolarHBondContact O-N 2.9Å; R324-G326 PolarHBondContact O-N 3.36Å
325	R	67.4	Low	80.8	Confident	233 Å²	233	85.1 Å²	85.1	88%	0.879	44%	0.442	S	S	*	.	S	Bend	trans	-79.4	59.8	177.7	-62.7	-176.5	-178.4	-178.9	0.4	111.4	S323	S323-R325 PolarHBondContact O-N 3.43Å
326	G	69.9	Low	80.3	Confident	49 Å²	49	87 Å²	87	51%	0.505	46%	0.458	S	S	.	.	S	Bend	trans	126.5	175.7	-179.2	0	0	0	0	0	113.7	R324	R324-G326 PolarHBondContact O-N 3.36Å
327	N	74	Confident	80	Confident	160 Å²	160	85.2 Å²	85.2	86%	0.856	47%	0.466	S	S	*	.			trans	-67.9	147.7	172.7	-67.2	-1.6	0	0	0	110.1	G329	N327-G329 PolarHBondContact O-N 3.34Å
328	A	72.8	Confident	79.9	Confident	24 Å²	24	80.9 Å²	80.9	20%	0.198	46%	0.458	C	S	.	.			trans	-66.9	-21.7	-176.4	0	0	0	0	0	114.3	Y87	Y87-A328 HydrophobicContact CD1-CB 4.18Å; Y87-A328 HydrophobicContact CD2-CB 4.1Å; Y87-A328 HydrophobicContact CE1-CB 3.99Å; Y87-A328 HydrophobicContact CE2-CB 3.96Å; Y87-A328 HydrophobicContact CG-CB 4.27Å; Y87-A328 WeakPolarHBondContact O-CB 3.13Å; Y87-A328 PolarHBondContact OH-O 3.09Å
329	G	80.1	Confident	79.7	Confident	42 Å²	42	77 Å²	77	43%	0.433	44%	0.439	S	S	.	.			trans	83.3	-160.4	-171.7	0	0	0	0	0	112.4	N327	N327-G329 PolarHBondContact O-N 3.34Å
330	D	84.3	Confident	79.5	Confident	94 Å²	94	70.2 Å²	70.2	50%	0.503	42%	0.423	S	S	.	.			trans	-86.8	143.4	174.9	-171.5	5	0	0	0	110.5	L332 A333	D330-L332 PolarHBondContact O-N 2.93Å; D330-L332 PolarHBondContact OD1-N 2.66Å; D330-A333 WeakPolarHBondContact O-CB 3.24Å; D330-A333 PolarHBondContact O-N 3.39Å
331	C	85.8	Confident	79.7	Confident	8 Å²	8	71.2 Å²	71.2	5%	0.054	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.9	175	65	0	0	0	0	112.5	C84 Y87 L113	C84-C331 HydrophobicContact CB-CB 3.79Å; C84-C331 WeakPolarHBondContact CB-SG 3.26Å; C84-C331 WeakPolarHBondContact SG-CB 3.46Å; C84-C331 CovalentContact SG-SG 2.02Å; C84-C331 PolarHBondContact SG-SG 3.21Å; Y87-C331 HydrophobicContact CD1-CB 3.96Å; L113-C331 HydrophobicContact CD1-CB 4.2Å
332	L	87.3	Confident	80	Confident	120 Å²	120	68.6 Å²	68.6	63%	0.628	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	13.3	178.7	-56.4	-176.7	0	0	0	113.4	F109 D330 N334	F109-L332 HydrophobicContact CE1-CD2 4.5Å; D330-L332 PolarHBondContact O-N 2.93Å; D330-L332 PolarHBondContact OD1-N 2.66Å; L332-N334 PolarHBondContact O-N 3.09Å
333	A	84.8	Confident	80.3	Confident	45 Å²	45	72 Å²	72	37%	0.372	43%	0.43	S	S	.	.			trans	-54.3	137.6	172.8	0	0	0	0	0	110.9	D330 P335 A336	D330-A333 WeakPolarHBondContact O-CB 3.24Å; D330-A333 PolarHBondContact O-N 3.39Å; A333-P335 CarbonylContact O-C 3.53Å; A333-P335 VanDerWaalsContact O-C 3.3Å; A333-A336 WeakPolarHBondContact O-CA 3.41Å; A333-A336 WeakPolarHBondContact O-CB 3.38Å; A333-A336 PolarHBondContact O-N 3.16Å
334	N	82.6	Confident	80.8	Confident	161 Å²	161	72.2 Å²	72.2	86%	0.861	43%	0.428	S	S	*	.	S	Bend	trans	-129.7	110.9	-176.8	-172.1	8.3	0	0	0	110.8	L332	L332-N334 PolarHBondContact O-N 3.09Å
335	P	78.5	Confident	81.5	Confident	115 Å²	115	70.1 Å²	70.1	75%	0.747	42%	0.42	S	S	*	.	S	Bend	cis	-69.3	148.2	-4.5	30.7	-35.4	0	0	0	111.9	A333	A333-P335 CarbonylContact O-C 3.53Å; A333-P335 VanDerWaalsContact O-C 3.3Å
336	A	77.8	Confident	82.7	Confident	41 Å²	41	60.1 Å²	60.1	34%	0.339	38%	0.384	S	S	.	.			trans	-68.8	139.3	176.8	0	0	0	0	0	110.4	L113 A333 P338	L113-A336 HydrophobicContact CD2-CB 3.84Å; A333-A336 WeakPolarHBondContact O-CA 3.41Å; A333-A336 WeakPolarHBondContact O-CB 3.38Å; A333-A336 PolarHBondContact O-N 3.16Å; A336-P338 WeakPolarHBondContact O-CD 3.41Å
337	A	78.9	Confident	83.7	Confident	67 Å²	67	64 Å²	64	55%	0.554	38%	0.383	S	S	*	.			trans	-94.8	100.2	177.1	0	0	0	0	0	109.8	Y87	Y87-A337 PolarHBondContact OH-O 3.5Å; Y87-A337 VanDerWaalsContact OH-O 3.05Å
338	P	83.4	Confident	84.5	Confident	63 Å²	63	56.5 Å²	56.5	41%	0.409	34%	0.343	S	S	.	.			trans	-66.8	146.7	-179.9	28.4	-35.7	0	0	0	111	H114 A336 G340	H114-P338 HydrophobicContact CB-CB 4.29Å; A336-P338 WeakPolarHBondContact O-CD 3.41Å; P338-G340 PolarHBondContact O-N 3.24Å; P338-G340 VanDerWaalsContact O-N 3.14Å
339	W	83.4	Confident	85.5	Confident	18 Å²	18	55.5 Å²	55.5	7%	0.068	33%	0.334	C	S	.	.			trans	-72.4	109.9	177.8	-178.7	37.4	0	0	0	110.5	F92 L113 I322 Q341 G342 M345	F92-W339 HydrophobicContact CB-CH2 4.11Å; F92-W339 AromaticContact CD1-CH2 3.71Å; F92-W339 HydrophobicContact CD1-CH2 3.71Å; F92-W339 AromaticContact CD1-CZ2 3.72Å; F92-W339 HydrophobicContact CD1-CZ2 3.72Å; F92-W339 HydrophobicContact CE1-CZ2 4.32Å; F92-W339 HydrophobicContact CG-CH2 4.41Å; F92-W339 VanDerWaalsContact O-CZ3 3.24Å; F92-W339 WeakPolarHBondContact O-CZ3 3Å; L113-W339 PolarHBondContact O-N 3.01Å; L113-W339 VanDerWaalsContact O-N 3.15Å; I322-W339 HydrophobicContact CB-CZ2 4.41Å; W339-Q341 VanDerWaalsContact C-N 3.33Å; W339-Q341 VanDerWaalsContact CD1-OE1 3.32Å; W339-Q341 HydrophobicContact CZ2-CB 3.83Å; W339-Q341 PolarHBondContact O-N 3.21Å; W339-G342 WeakPolarHBondContact O-CA 3.39Å; W339-G342 PolarHBondContact O-N 2.98Å; W339-M345 HydrophobicContact CZ3-CB 4.34Å; W339-M345 HydrophobicContact CZ3-CG 4.46Å
340	G	80.1	Confident	86	Confident	48 Å²	48	55.2 Å²	55.2	50%	0.495	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-40.3	-173.4	0	0	0	0	0	114.4	P338 G342	P338-G340 PolarHBondContact O-N 3.24Å; P338-G340 VanDerWaalsContact O-N 3.14Å; G340-G342 PolarHBondContact O-N 3.29Å
341	Q	85.7	Confident	86.4	Confident	64 Å²	64	56.1 Å²	56.1	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.9	177.1	-62	76.4	14.8	0	0	113.3	W339 I343 D344 M345	W339-Q341 VanDerWaalsContact C-N 3.33Å; W339-Q341 VanDerWaalsContact CD1-OE1 3.32Å; W339-Q341 HydrophobicContact CZ2-CB 3.83Å; W339-Q341 PolarHBondContact O-N 3.21Å; Q341-I343 VanDerWaalsContact C-N 3.26Å; Q341-I343 PolarHBondContact O-N 3.1Å; Q341-D344 PolarHBondContact O-N 3.49Å; Q341-M345 PolarHBondContact O-N 3.31Å
342	G	86.8	Confident	86.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-31.9	177	0	0	0	0	0	113.3	H114 W339 G340 M345 E346	H114-G342 WeakPolarHBondContact O-CA 3.32Å; W339-G342 WeakPolarHBondContact O-CA 3.39Å; W339-G342 PolarHBondContact O-N 2.98Å; G340-G342 PolarHBondContact O-N 3.29Å; G342-M345 WeakPolarHBondContact O-CB 3.04Å; G342-M345 PolarHBondContact O-N 2.79Å; G342-E346 PolarHBondContact O-N 3.2Å
343	I	89.4	Confident	87.1	Confident	72 Å²	72	59.1 Å²	59.1	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-67.3	-41.6	176.9	-59.5	172.1	0	0	0	110.7	F130 Q341 E346 R347	F130-I343 HydrophobicContact CE1-CG1 4.4Å; F130-I343 HydrophobicContact CZ-CG1 4.07Å; Q341-I343 VanDerWaalsContact C-N 3.26Å; Q341-I343 PolarHBondContact O-N 3.1Å; I343-E346 PolarHBondContact O-N 2.93Å; I343-R347 WeakPolarHBondContact O-CB 3.39Å; I343-R347 PolarHBondContact O-N 2.98Å
344	D	89.5	Confident	87.4	Confident	47 Å²	47	58.1 Å²	58.1	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-69.9	-38	176.5	-64.6	-43.8	0	0	0	110.9	I320 Q341 R347 T348	I320-D344 HydrophobicContact CD1-CB 4.49Å; Q341-D344 PolarHBondContact O-N 3.49Å; D344-R347 PolarHBondContact O-N 3.19Å; D344-R347 IonicContact OD1-CZ 3.06Å; D344-R347 IonicContact OD1-NH1 2.72Å; D344-R347 PolarHBondContact OD1-NH1 3.2Å; D344-R347 IonicContact OD1-NH2 3.81Å; D344-T348 PolarHBondContact O-N 3.24Å; D344-T348 PolarHBondContact O-OG1 3.4Å; D344-T348 VanDerWaalsContact O-OG1 3.1Å
345	M	89.8	Confident	87.9	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-48.4	171.7	-177.5	65.5	-178.9	0	0	112	A93 T311 F312 L315 W339 Q341 G342 T348 L349	A93-M345 HydrophobicContact CB-CE 3.91Å; T311-M345 HydrophobicContact CG2-CE 3.82Å; T311-M345 HydrophobicContact CG2-SD 3.67Å; F312-M345 HydrophobicContact CD1-CE 4.15Å; F312-M345 HydrophobicContact CD1-SD 4.3Å; F312-M345 HydrophobicContact CE1-CE 3.43Å; F312-M345 VanDerWaalsContact CE1-CE 3.43Å; F312-M345 HydrophobicContact CE1-SD 3.83Å; F312-M345 HydrophobicContact CE2-CE 4.07Å; F312-M345 HydrophobicContact CZ-CE 3.38Å; F312-M345 HydrophobicContact CZ-SD 4.39Å; L315-M345 HydrophobicContact CD1-SD 3.42Å; L315-M345 WeakPolarHBondContact CD1-SD 3.18Å; W339-M345 HydrophobicContact CZ3-CB 4.34Å; W339-M345 HydrophobicContact CZ3-CG 4.46Å; Q341-M345 PolarHBondContact O-N 3.31Å; G342-M345 WeakPolarHBondContact O-CB 3.04Å; G342-M345 PolarHBondContact O-N 2.79Å; M345-T348 PolarHBondContact O-N 2.98Å; M345-L349 HydrophobicContact CE-CD1 4.2Å; M345-L349 HydrophobicContact CE-CG 4.36Å; M345-L349 HydrophobicContact CG-CD1 4.21Å; M345-L349 WeakPolarHBondContact O-CB 3.38Å; M345-L349 WeakPolarHBondContact O-CG 3.11Å; M345-L349 PolarHBondContact O-N 2.87Å
346	E	91.3	Very high	88.4	Confident	24 Å²	24	50.5 Å²	50.5	11%	0.112	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-44.2	176.4	-170.2	-163.7	-164.9	0	0	111.5	F130 G342 I343 T348 L349 K350	F130-E346 WeakPolarHBondContact CA-OE1 3.37Å; F130-E346 HydrophobicContact CD1-CB 3.95Å; F130-E346 HydrophobicContact CD1-CG 4.26Å; F130-E346 HydrophobicContact CE1-CB 4.09Å; F130-E346 PolarHBondContact N-OE1 2.96Å; G342-E346 PolarHBondContact O-N 3.2Å; I343-E346 PolarHBondContact O-N 2.93Å; E346-T348 VanDerWaalsContact C-N 3.34Å; E346-T348 PolarHBondContact O-N 3.3Å; E346-L349 PolarHBondContact O-N 3.25Å; E346-K350 VanDerWaalsContact CD-NZ 3.33Å; E346-K350 HydrophobicContact CG-CD 4.29Å; E346-K350 WeakPolarHBondContact O-CG 3.39Å; E346-K350 PolarHBondContact O-N 2.77Å; E346-K350 WeakPolarHBondContact OE1-CE 3.37Å; E346-K350 IonicContact OE1-NZ 2.86Å; E346-K350 PolarHBondContact OE1-NZ 3.32Å; E346-K350 IonicContact OE2-NZ 3.05Å
347	R	91.2	Very high	89	Confident	129 Å²	129	48.9 Å²	48.9	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-60.3	-43.9	177.6	-168.7	-172.3	-59.2	124.2	8.4	111.3	I343 D344 Q351	I343-R347 WeakPolarHBondContact O-CB 3.39Å; I343-R347 PolarHBondContact O-N 2.98Å; D344-R347 PolarHBondContact O-N 3.19Å; D344-R347 IonicContact OD1-CZ 3.06Å; D344-R347 IonicContact OD1-NH1 2.72Å; D344-R347 PolarHBondContact OD1-NH1 3.2Å; D344-R347 IonicContact OD1-NH2 3.81Å; R347-Q351 VanDerWaalsContact O-CG 3.28Å; R347-Q351 WeakPolarHBondContact O-CG 3.5Å; R347-Q351 PolarHBondContact O-N 3.14Å
348	T	92	Very high	89.6	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-40.1	177.7	-54.1	0	0	0	0	111.8	T311 N314 L315 D344 M345 E346 K350 Q351 V352	T311-T348 HydrophobicContact CG2-CG2 3.89Å; N314-T348 HydrophobicContact CB-CG2 3.8Å; L315-T348 HydrophobicContact CD2-CG2 4.37Å; L315-T348 VanDerWaalsContact CD2-OG1 3.26Å; L315-T348 WeakPolarHBondContact CD2-OG1 3.4Å; L315-T348 HydrophobicContact CG-CG2 4.11Å; D344-T348 PolarHBondContact O-N 3.24Å; D344-T348 PolarHBondContact O-OG1 3.4Å; D344-T348 VanDerWaalsContact O-OG1 3.1Å; M345-T348 PolarHBondContact O-N 2.98Å; E346-T348 VanDerWaalsContact C-N 3.34Å; E346-T348 PolarHBondContact O-N 3.3Å; T348-K350 PolarHBondContact O-N 3.49Å; T348-Q351 PolarHBondContact O-N 2.93Å; T348-Q351 VanDerWaalsContact O-N 3.08Å; T348-V352 WeakPolarHBondContact O-CG2 3.41Å; T348-V352 PolarHBondContact O-N 3.35Å
349	L	92.1	Very high	90	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-55	-49.2	174.6	-80.9	162.5	0	0	0	111.7	S116 I118 L132 V307 T311 M345 E346 Q351 V352	S116-L349 WeakPolarHBondContact OG-CD1 3.39Å; I118-L349 HydrophobicContact CD1-CD1 3.96Å; I118-L349 HydrophobicContact CD1-CD2 4.18Å; I118-L349 HydrophobicContact CG1-CD2 4.22Å; L132-L349 HydrophobicContact CD1-CB 4.46Å; L132-L349 HydrophobicContact CD2-CB 4.32Å; L132-L349 HydrophobicContact CD2-CD2 4Å; V307-L349 HydrophobicContact CG1-CD2 4.07Å; T311-L349 HydrophobicContact CG2-CD2 3.96Å; T311-L349 HydrophobicContact CG2-CG 3.76Å; T311-L349 WeakPolarHBondContact OG1-CD2 3.49Å; M345-L349 HydrophobicContact CE-CD1 4.2Å; M345-L349 HydrophobicContact CE-CG 4.36Å; M345-L349 HydrophobicContact CG-CD1 4.21Å; M345-L349 WeakPolarHBondContact O-CB 3.38Å; M345-L349 WeakPolarHBondContact O-CG 3.11Å; M345-L349 PolarHBondContact O-N 2.87Å; E346-L349 PolarHBondContact O-N 3.25Å; L349-Q351 PolarHBondContact O-N 3.43Å; L349-V352 WeakPolarHBondContact O-CB 3.28Å; L349-V352 PolarHBondContact O-N 2.91Å; L349-V352 VanDerWaalsContact O-N 3.16Å
350	K	91.8	Very high	90.4	Very high	37 Å²	37	45 Å²	45	16%	0.161	22%	0.221	C	C	.	.	H	α-helix	trans	-66.4	-21	179.1	-68.8	175.9	-179	175.2	0	113.3	L132 E346 T348 H365	L132-K350 HydrophobicContact CD1-CG 4.3Å; E346-K350 VanDerWaalsContact CD-NZ 3.33Å; E346-K350 HydrophobicContact CG-CD 4.29Å; E346-K350 WeakPolarHBondContact O-CG 3.39Å; E346-K350 PolarHBondContact O-N 2.77Å; E346-K350 WeakPolarHBondContact OE1-CE 3.37Å; E346-K350 IonicContact OE1-NZ 2.86Å; E346-K350 PolarHBondContact OE1-NZ 3.32Å; E346-K350 IonicContact OE2-NZ 3.05Å; T348-K350 PolarHBondContact O-N 3.49Å; K350-H365 WeakPolarHBondContact CD-O 3.21Å; K350-H365 VanDerWaalsContact CE-O 3.3Å; K350-H365 WeakPolarHBondContact CE-O 3.36Å; K350-H365 PolarHBondContact NZ-O 2.84Å
351	Q	92.2	Very high	91.1	Very high	112 Å²	112	42.7 Å²	42.7	52%	0.523	20%	0.197	S	C	.	.	H	α-helix	trans	-87	-10.3	176.1	-73	175	-1.7	0	0	114	R347 T348 L349 R353	R347-Q351 VanDerWaalsContact O-CG 3.28Å; R347-Q351 WeakPolarHBondContact O-CG 3.5Å; R347-Q351 PolarHBondContact O-N 3.14Å; T348-Q351 PolarHBondContact O-N 2.93Å; T348-Q351 VanDerWaalsContact O-N 3.08Å; L349-Q351 PolarHBondContact O-N 3.43Å; Q351-R353 PolarHBondContact O-N 3.36Å
352	V	93.3	Very high	91.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	19%	0.191	C	C	.	.			trans	-63	133.5	179.7	176.7	0	0	0	0	110.9	V307 E310 T311 T348 L349 I354	V307-V352 HydrophobicContact CG1-CB 4.28Å; V307-V352 HydrophobicContact CG1-CG1 4.21Å; V307-V352 HydrophobicContact CG1-CG2 4.36Å; V307-V352 HydrophobicContact CG2-CG1 4.39Å; E310-V352 HydrophobicContact CB-CG1 4.14Å; E310-V352 HydrophobicContact CG-CG1 4.09Å; T311-V352 WeakPolarHBondContact OG1-CG2 3.37Å; T348-V352 WeakPolarHBondContact O-CG2 3.41Å; T348-V352 PolarHBondContact O-N 3.35Å; L349-V352 WeakPolarHBondContact O-CB 3.28Å; L349-V352 PolarHBondContact O-N 2.91Å; L349-V352 VanDerWaalsContact O-N 3.16Å; V352-I354 HydrophobicContact CG1-CG1 4.31Å; V352-I354 HydrophobicContact CG1-CG2 3.79Å
353	R	93.9	Very high	91.7	Very high	190 Å²	190	42.3 Å²	42.3	72%	0.717	20%	0.195	S	C	*	.			trans	-132.2	113.6	171	-58	-173.5	178.3	177.9	-2.8	108.5	Q351 V361 Q362	Q351-R353 PolarHBondContact O-N 3.36Å; R353-V361 WeakPolarHBondContact CA-O 3.33Å; R353-Q362 HydrophobicContact CB-CG 4.31Å; R353-Q362 HydrophobicContact CG-CG 4.05Å
354	I	92.7	Very high	91.7	Very high	24 Å²	24	40.4 Å²	40.4	12%	0.123	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.1	-178.6	60.6	171.5	0	0	0	111.3	L306 V307 E310 V352 V361	L306-I354 HydrophobicContact CB-CD1 3.93Å; L306-I354 HydrophobicContact CD2-CD1 3.92Å; L306-I354 HydrophobicContact CG-CD1 3.73Å; V307-I354 HydrophobicContact CB-CD1 4.44Å; V307-I354 HydrophobicContact CG2-CD1 3.58Å; V307-I354 HydrophobicContact CG2-CG1 4.22Å; E310-I354 HydrophobicContact CB-CG2 4.14Å; E310-I354 HydrophobicContact CG-CG2 3.94Å; V352-I354 HydrophobicContact CG1-CG1 4.31Å; V352-I354 HydrophobicContact CG1-CG2 3.79Å; I354-V361 HydrophobicContact CG1-CB 3.91Å; I354-V361 HydrophobicContact CG1-CG2 4.38Å; I354-V361 PolarHBondContact N-O 3.27Å; I354-V361 PolarHBondContact O-N 3.29Å
355	Q	91.4	Very high	91.7	Very high	115 Å²	115	45.1 Å²	45.1	54%	0.537	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.5	165.4	-168.3	71.3	10.2	0	0	108.8
356	G	89.5	Confident	91.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-168.7	177.4	0	0	0	0	0	113.1	D303 T358 G359	D303-G356 VanDerWaalsContact OD1-CA 3.24Å; D303-G356 WeakPolarHBondContact OD1-CA 3.39Å; G356-T358 VanDerWaalsContact C-N 3.27Å; G356-T358 PolarHBondContact O-N 3.05Å; G356-G359 PolarHBondContact N-O 2.68Å; G356-G359 PolarHBondContact O-N 2.95Å
357	L	90.5	Very high	91.4	Very high	7 Å²	7	48 Å²	48	4%	0.037	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-32.7	172.3	-58	177.2	0	0	0	112.2	M271 V272 L275 A299 Y302 D303 G359	M271-L357 HydrophobicContact CE-CD2 4.19Å; M271-L357 HydrophobicContact CG-CD2 4.21Å; V272-L357 HydrophobicContact CG2-CB 4.35Å; V272-L357 HydrophobicContact CG2-CD2 4.02Å; L275-L357 HydrophobicContact CB-CD2 4.36Å; L275-L357 HydrophobicContact CD2-CD1 3.37Å; L275-L357 HydrophobicContact CD2-CD2 3.64Å; L275-L357 HydrophobicContact CD2-CG 4.13Å; A299-L357 HydrophobicContact CB-CB 4.25Å; A299-L357 HydrophobicContact CB-CD1 4.13Å; Y302-L357 HydrophobicContact CD1-CD1 3.48Å; Y302-L357 VanDerWaalsContact CD1-CD1 3.48Å; Y302-L357 HydrophobicContact CD1-CG 3.75Å; Y302-L357 HydrophobicContact CD2-CD1 4.3Å; Y302-L357 HydrophobicContact CE1-CD1 4.16Å; Y302-L357 HydrophobicContact CE1-CD2 4.46Å; Y302-L357 HydrophobicContact CE1-CG 4.13Å; Y302-L357 HydrophobicContact CG-CD1 3.59Å; Y302-L357 HydrophobicContact CG-CG 4.37Å; D303-L357 PolarHBondContact OD1-N 3.18Å; D303-L357 PolarHBondContact OD2-N 2.84Å; D303-L357 VanDerWaalsContact OD2-N 3.17Å; L357-G359 PolarHBondContact O-N 2.87Å
358	T	92.1	Very high	91.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	20.6	176.9	61.4	0	0	0	0	112.7	L264 V265 A299 L300 D303 G356 R369	L264-T358 HydrophobicContact CD2-CG2 3.77Å; L264-T358 HydrophobicContact CG-CG2 3.95Å; V265-T358 HydrophobicContact CG2-CG2 4.03Å; A299-T358 HydrophobicContact CB-CG2 4.15Å; L300-T358 HydrophobicContact CD2-CG2 3.85Å; L300-T358 HydrophobicContact CG-CG2 4.14Å; D303-T358 WeakPolarHBondContact OD2-CB 3.25Å; D303-T358 PolarHBondContact OD2-N 3.45Å; D303-T358 PolarHBondContact OD2-OG1 3.22Å; G356-T358 VanDerWaalsContact C-N 3.27Å; G356-T358 PolarHBondContact O-N 3.05Å; T358-R369 PolarHBondContact O-NH2 2.99Å; T358-R369 PolarHBondContact OG1-NH1 3.44Å; T358-R369 PolarHBondContact OG1-NH2 3.01Å; T358-R369 VanDerWaalsContact OG1-NH2 3.1Å
359	G	91.1	Very high	91.3	Very high	22 Å²	22	46.9 Å²	46.9	23%	0.227	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.2	-143.5	-178.9	0	0	0	0	0	113.2	G356 L357	G356-G359 PolarHBondContact N-O 2.68Å; G356-G359 PolarHBondContact O-N 2.95Å; L357-G359 PolarHBondContact O-N 2.87Å
360	N	92.9	Very high	91.3	Very high	40 Å²	40	49 Å²	49	21%	0.214	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.2	178.3	179.7	49.9	0	0	0	110.7	Q362 R369 N371	N360-Q362 VanDerWaalsContact ND2-CD 3.28Å; N360-Q362 PolarHBondContact ND2-NE2 3.15Å; N360-Q362 PolarHBondContact OD1-NE2 3.07Å; N360-R369 PolarHBondContact O-NH2 2.98Å; N360-N371 PolarHBondContact ND2-ND2 3.49Å; N360-N371 PolarHBondContact ND2-O 3.33Å
361	V	93.6	Very high	91.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.9	178.7	-175	0	0	0	0	108.7	V307 R353 I354 F363	V307-V361 HydrophobicContact CG2-CG1 3.92Å; R353-V361 WeakPolarHBondContact CA-O 3.33Å; I354-V361 HydrophobicContact CG1-CB 3.91Å; I354-V361 HydrophobicContact CG1-CG2 4.38Å; I354-V361 PolarHBondContact N-O 3.27Å; I354-V361 PolarHBondContact O-N 3.29Å; V361-F363 HydrophobicContact CG1-CE1 4.36Å; V361-F363 HydrophobicContact CG1-CE2 3.81Å; V361-F363 HydrophobicContact CG1-CZ 3.52Å
362	Q	93.1	Very high	91.1	Very high	35 Å²	35	46.4 Å²	46.4	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.9	178.8	-56.2	-175.6	3.8	0	0	108.8	R353 N360 R369 V370 N371	R353-Q362 HydrophobicContact CB-CG 4.31Å; R353-Q362 HydrophobicContact CG-CG 4.05Å; N360-Q362 VanDerWaalsContact ND2-CD 3.28Å; N360-Q362 PolarHBondContact ND2-NE2 3.15Å; N360-Q362 PolarHBondContact OD1-NE2 3.07Å; Q362-R369 WeakPolarHBondContact O-CA 3.36Å; Q362-V370 HydrophobicContact CB-CG2 4.3Å; Q362-V370 PolarHBondContact O-N 2.9Å; Q362-N371 PolarHBondContact OE1-ND2 2.87Å
363	F	92.3	Very high	91.1	Very high	20 Å²	20	49.7 Å²	49.7	9%	0.088	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.6	-174.8	-54.8	-79.8	0	0	0	112.6	L132 L134 V307 V361 R368	L132-F363 HydrophobicContact CD1-CB 4.18Å; L132-F363 HydrophobicContact CD1-CD1 3.68Å; L132-F363 HydrophobicContact CD1-CD2 3.91Å; L132-F363 HydrophobicContact CD1-CE1 3.99Å; L132-F363 HydrophobicContact CD1-CE2 4.2Å; L132-F363 HydrophobicContact CD1-CG 3.64Å; L132-F363 HydrophobicContact CD1-CZ 4.25Å; L132-F363 HydrophobicContact CD2-CD2 4.33Å; L132-F363 HydrophobicContact CD2-CE1 4.05Å; L132-F363 HydrophobicContact CD2-CE2 3.82Å; L132-F363 HydrophobicContact CD2-CZ 3.66Å; L132-F363 HydrophobicContact CG-CD1 3.91Å; L132-F363 HydrophobicContact CG-CD2 4.4Å; L132-F363 HydrophobicContact CG-CE1 3.69Å; L132-F363 HydrophobicContact CG-CE2 4.21Å; L132-F363 HydrophobicContact CG-CG 4.27Å; L132-F363 HydrophobicContact CG-CZ 3.86Å; L134-F363 HydrophobicContact CD2-CE1 4.2Å; L134-F363 HydrophobicContact CD2-CZ 3.87Å; V307-F363 HydrophobicContact CG1-CE2 4.1Å; V307-F363 HydrophobicContact CG1-CZ 4.47Å; V307-F363 HydrophobicContact CG2-CE2 4.22Å; V307-F363 HydrophobicContact CG2-CZ 4.26Å; V361-F363 HydrophobicContact CG1-CE1 4.36Å; V361-F363 HydrophobicContact CG1-CE2 3.81Å; V361-F363 HydrophobicContact CG1-CZ 3.52Å; F363-R368 CarbonylContact C-O 3.56Å; F363-R368 VanDerWaalsContact CA-O 3.26Å; F363-R368 WeakPolarHBondContact CA-O 3.49Å
364	D	89.9	Confident	91	Very high	32 Å²	32	40.6 Å²	40.6	17%	0.171	20%	0.202	C	C	.	.			trans	-85.2	-178.2	169.9	77.7	-3.1	0	0	0	112.4	Y366 G367 R368 V370	D364-Y366 PolarHBondContact O-N 3.04Å; D364-Y366 VanDerWaalsContact OD1-C 3.26Å; D364-Y366 VanDerWaalsContact OD1-CA 3.3Å; D364-Y366 WeakPolarHBondContact OD1-CA 3.36Å; D364-Y366 WeakPolarHBondContact OD1-CB 3.17Å; D364-Y366 PolarHBondContact OD1-N 2.73Å; D364-G367 PolarHBondContact O-N 2.81Å; D364-G367 VanDerWaalsContact O-N 3.09Å; D364-G367 PolarHBondContact OD1-N 3.43Å; D364-R368 PolarHBondContact N-O 3.03Å; D364-R368 PolarHBondContact OD1-N 3.06Å; D364-R368 IonicContact OD1-NE 3.29Å; D364-R368 IonicContact OD2-CZ 2.7Å; D364-R368 VanDerWaalsContact OD2-CZ 3.25Å; D364-R368 IonicContact OD2-NE 3.87Å; D364-R368 PolarHBondContact OD2-NE 3.29Å; D364-R368 IonicContact OD2-NH2 3.67Å; D364-R368 PolarHBondContact OD2-NH2 3.5Å; D364-V370 HydrophobicContact CB-CG1 3.91Å
365	H	88.6	Confident	91	Very high	147 Å²	147	40 Å²	40	68%	0.681	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.9	177.3	-172.4	74.5	0	0	0	113.6	K350	K350-H365 WeakPolarHBondContact CD-O 3.21Å; K350-H365 VanDerWaalsContact CE-O 3.3Å; K350-H365 WeakPolarHBondContact CE-O 3.36Å; K350-H365 PolarHBondContact NZ-O 2.84Å
366	Y	87.8	Confident	91.1	Very high	84 Å²	84	34.7 Å²	34.7	33%	0.329	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	5.3	179.1	-55.2	-73.9	0	0	0	112.9	E127 D364 R368	E127-Y366 HydrophobicContact CB-CD1 4.16Å; E127-Y366 HydrophobicContact CB-CE1 4.16Å; E127-Y366 HydrophobicContact CG-CD1 4.02Å; E127-Y366 HydrophobicContact CG-CE1 3.68Å; D364-Y366 PolarHBondContact O-N 3.04Å; D364-Y366 VanDerWaalsContact OD1-C 3.26Å; D364-Y366 VanDerWaalsContact OD1-CA 3.3Å; D364-Y366 WeakPolarHBondContact OD1-CA 3.36Å; D364-Y366 WeakPolarHBondContact OD1-CB 3.17Å; D364-Y366 PolarHBondContact OD1-N 2.73Å; Y366-R368 VanDerWaalsContact C-N 3.31Å; Y366-R368 PolarHBondContact O-N 3.15Å
367	G	88.3	Confident	91.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	76.6	13.2	-179.8	0	0	0	0	0	114.8	Q133 D364	Q133-G367 PolarHBondContact N-O 3.1Å; D364-G367 PolarHBondContact O-N 2.81Å; D364-G367 VanDerWaalsContact O-N 3.09Å; D364-G367 PolarHBondContact OD1-N 3.43Å
368	R	90.4	Very high	91.3	Very high	98 Å²	98	35.9 Å²	35.9	37%	0.37	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-85.4	145.4	174.5	-57.6	177.1	-61.3	-165.6	1.5	110.1	F363 D364 Y366	F363-R368 CarbonylContact C-O 3.56Å; F363-R368 VanDerWaalsContact CA-O 3.26Å; F363-R368 WeakPolarHBondContact CA-O 3.49Å; D364-R368 PolarHBondContact N-O 3.03Å; D364-R368 PolarHBondContact OD1-N 3.06Å; D364-R368 IonicContact OD1-NE 3.29Å; D364-R368 IonicContact OD2-CZ 2.7Å; D364-R368 VanDerWaalsContact OD2-CZ 3.25Å; D364-R368 IonicContact OD2-NE 3.87Å; D364-R368 PolarHBondContact OD2-NE 3.29Å; D364-R368 IonicContact OD2-NH2 3.67Å; D364-R368 PolarHBondContact OD2-NH2 3.5Å; Y366-R368 VanDerWaalsContact C-N 3.31Å; Y366-R368 PolarHBondContact O-N 3.15Å
369	R	90.7	Very high	91.1	Very high	12 Å²	12	36.1 Å²	36.1	5%	0.045	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.2	179.3	-171.2	171.9	178.5	173.1	0.9	112.2	L134 T358 N360 Q362 Y372	L134-R369 WeakPolarHBondContact O-CD 3.3Å; L134-R369 PolarHBondContact O-NH1 3Å; T358-R369 PolarHBondContact O-NH2 2.99Å; T358-R369 PolarHBondContact OG1-NH1 3.44Å; T358-R369 PolarHBondContact OG1-NH2 3.01Å; T358-R369 VanDerWaalsContact OG1-NH2 3.1Å; N360-R369 PolarHBondContact O-NH2 2.98Å; Q362-R369 WeakPolarHBondContact O-CA 3.36Å; R369-Y372 HydrophobicContact CG-CD1 4.03Å; R369-Y372 WeakPolarHBondContact O-CE1 3.13Å
370	V	90.7	Very high	90.9	Very high	48 Å²	48	38.6 Å²	38.6	29%	0.291	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	164.4	178.5	-66.4	0	0	0	0	111	Q362 D364 Y372	Q362-V370 HydrophobicContact CB-CG2 4.3Å; Q362-V370 PolarHBondContact O-N 2.9Å; D364-V370 HydrophobicContact CB-CG1 3.91Å; V370-Y372 VanDerWaalsContact C-N 3.26Å; V370-Y372 PolarHBondContact O-N 2.83Å
371	N	90.1	Very high	90.2	Very high	86 Å²	86	43 Å²	43	46%	0.46	21%	0.208	S	C	.	.	S	Bend	trans	57.1	42.5	175.7	-169.3	17.5	0	0	0	112	N360 Q362 D392	N360-N371 PolarHBondContact ND2-ND2 3.49Å; N360-N371 PolarHBondContact ND2-O 3.33Å; Q362-N371 PolarHBondContact OE1-ND2 2.87Å; N371-D392 PolarHBondContact N-OD2 3.22Å
372	Y	91.3	Very high	89.6	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.027	25%	0.248	C	C	.	.			trans	-103.2	157.2	174.8	58	-91.3	0	0	0	110.2	P136 S137 R369 V370 M374 W390	P136-Y372 HydrophobicContact CB-CD1 3.73Å; P136-Y372 HydrophobicContact CB-CD2 3.52Å; P136-Y372 HydrophobicContact CB-CE1 3.64Å; P136-Y372 HydrophobicContact CB-CE2 3.43Å; P136-Y372 VanDerWaalsContact CB-CE2 3.43Å; P136-Y372 HydrophobicContact CB-CG 3.66Å; P136-Y372 VanDerWaalsContact CB-CZ 3.48Å; P136-Y372 HydrophobicContact CG-CD2 4.22Å; P136-Y372 HydrophobicContact CG-CE2 4.36Å; S137-Y372 PolarHBondContact N-OH 3.43Å; S137-Y372 PolarHBondContact O-OH 2.76Å; R369-Y372 HydrophobicContact CG-CD1 4.03Å; R369-Y372 WeakPolarHBondContact O-CE1 3.13Å; V370-Y372 VanDerWaalsContact C-N 3.26Å; V370-Y372 PolarHBondContact O-N 2.83Å; Y372-M374 HydrophobicContact CD2-CG 4.01Å; Y372-M374 HydrophobicContact CD2-SD 3.97Å; Y372-M374 HydrophobicContact CE2-CG 4.26Å; Y372-M374 HydrophobicContact CE2-SD 3.64Å; Y372-W390 HydrophobicContact CE2-CE3 4.22Å; Y372-W390 AromaticContact CE2-CZ3 3.71Å; Y372-W390 HydrophobicContact CE2-CZ3 3.71Å; Y372-W390 AromaticContact CZ-CZ3 4Å
373	T	91.6	Very high	89.1	Confident	71 Å²	71	48.2 Å²	48.2	44%	0.436	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.8	174	-52.3	0	0	0	0	108.5	Y389 W390	T373-Y389 HydrophobicContact CG2-CD2 3.83Å; T373-Y389 HydrophobicContact CG2-CG 4.12Å; T373-W390 WeakPolarHBondContact CA-O 3.49Å
374	M	91.8	Very high	88.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.6	175.8	-75.5	170.9	48	0	0	109.9	P136 L138 A141 L242 F262 L264 Y372 Y389 W390	P136-M374 HydrophobicContact CB-SD 4.45Å; P136-M374 HydrophobicContact CG-SD 4.2Å; L138-M374 HydrophobicContact CD1-CE 3.56Å; A141-M374 HydrophobicContact CB-CE 4.18Å; L242-M374 HydrophobicContact CD2-CE 3.26Å; L242-M374 HydrophobicContact CD2-SD 3.74Å; F262-M374 HydrophobicContact CB-CE 3.78Å; F262-M374 HydrophobicContact CD1-CE 4.07Å; F262-M374 HydrophobicContact CG-CE 4.04Å; L264-M374 HydrophobicContact CD1-CG 4.02Å; Y372-M374 HydrophobicContact CD2-CG 4.01Å; Y372-M374 HydrophobicContact CD2-SD 3.97Å; Y372-M374 HydrophobicContact CE2-CG 4.26Å; Y372-M374 HydrophobicContact CE2-SD 3.64Å; M374-Y389 CarbonylContact O-C 3.58Å; M374-Y389 VanDerWaalsContact O-CA 3.32Å; M374-Y389 WeakPolarHBondContact O-CA 3.3Å; M374-W390 PolarHBondContact N-O 3.42Å; M374-W390 PolarHBondContact O-N 3.31Å
375	D	93.1	Very high	88.8	Confident	12 Å²	12	53.8 Å²	53.8	6%	0.064	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.9	179	-72.5	-12.5	0	0	0	110.8	F262 Q263 F377 K386	F262-D375 CarbonylContact C-O 3.48Å; F262-D375 WeakPolarHBondContact CA-O 3.35Å; Q263-D375 HydrophobicContact CB-CB 4.33Å; Q263-D375 PolarHBondContact N-O 3.36Å; Q263-D375 PolarHBondContact O-N 2.92Å; D375-F377 HydrophobicContact CB-CD2 3.95Å; D375-F377 HydrophobicContact CB-CE2 3.57Å; D375-K386 HydrophobicContact CB-CD 4.31Å; D375-K386 HydrophobicContact CB-CG 4.43Å; D375-K386 WeakPolarHBondContact OD1-CE 3.32Å; D375-K386 IonicContact OD1-NZ 2.62Å; D375-K386 PolarHBondContact OD1-NZ 3.24Å; D375-K386 WeakPolarHBondContact OD2-CD 3.45Å; D375-K386 VanDerWaalsContact OD2-CE 3.22Å; D375-K386 WeakPolarHBondContact OD2-CE 3.13Å; D375-K386 IonicContact OD2-NZ 2.67Å; D375-K386 PolarHBondContact OD2-NZ 2.94Å
376	V	94	Very high	88.8	Confident	3 Å²	3	50 Å²	50	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.7	172.7	-177.7	0	0	0	0	108.6	L145 F262 V387 G388 L396	L145-V376 HydrophobicContact CD1-CG1 4.09Å; F262-V376 HydrophobicContact CD1-CG2 4.02Å; F262-V376 HydrophobicContact CE1-CG2 4.03Å; V376-V387 PolarHBondContact O-N 3.23Å; V376-G388 PolarHBondContact N-O 3.03Å; V376-G388 PolarHBondContact O-N 2.92Å; V376-L396 HydrophobicContact CB-CD1 4.49Å; V376-L396 HydrophobicContact CG2-CD1 3.66Å
377	F	92.2	Very high	88.9	Confident	12 Å²	12	47.8 Å²	47.8	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.6	179.1	-83.8	-96.9	0	0	0	111.1	F244 K245 T260 G261 Q263 D375 P384 R385 K386	F244-F377 HydrophobicContact CB-CB 4.5Å; F244-F377 HydrophobicContact CD1-CB 3.47Å; F244-F377 VanDerWaalsContact CD1-CB 3.47Å; F244-F377 HydrophobicContact CD1-CG 4.25Å; F244-F377 HydrophobicContact CE1-CB 3.83Å; F244-F377 HydrophobicContact CG-CB 4.1Å; K245-F377 VanDerWaalsContact CE-CE1 3.47Å; T260-F377 WeakPolarHBondContact CA-O 3.47Å; G261-F377 PolarHBondContact N-O 2.91Å; G261-F377 PolarHBondContact O-N 3Å; Q263-F377 HydrophobicContact CB-CD2 3.49Å; Q263-F377 VanDerWaalsContact CB-CD2 3.49Å; Q263-F377 HydrophobicContact CB-CE2 3.55Å; Q263-F377 HydrophobicContact CG-CD2 4.32Å; Q263-F377 HydrophobicContact CG-CE2 3.95Å; D375-F377 HydrophobicContact CB-CD2 3.95Å; D375-F377 HydrophobicContact CB-CE2 3.57Å; F377-P384 HydrophobicContact CD1-CB 4.03Å; F377-R385 WeakPolarHBondContact CA-O 3.47Å; F377-R385 WeakPolarHBondContact CD1-O 3.45Å; F377-K386 HydrophobicContact CD1-CB 4.38Å; F377-K386 HydrophobicContact CE1-CB 3.88Å; F377-K386 HydrophobicContact CE2-CB 4.22Å; F377-K386 HydrophobicContact CE2-CG 4.41Å; F377-K386 HydrophobicContact CZ-CB 3.79Å; F377-K386 HydrophobicContact CZ-CG 4.39Å
378	E	91.3	Very high	89	Confident	20 Å²	20	47.8 Å²	47.8	9%	0.093	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.4	169.5	-169.8	-175	174.1	0	0	109.2	V259 T260 K380 R385 V387	V259-E378 WeakPolarHBondContact O-CA 3.43Å; T260-E378 HydrophobicContact CG2-CB 4.15Å; T260-E378 HydrophobicContact CG2-CG 3.81Å; E378-K380 PolarHBondContact O-N 2.92Å; E378-K380 IonicContact OE1-NZ 2.68Å; E378-K380 PolarHBondContact OE1-NZ 2.99Å; E378-K380 WeakPolarHBondContact OE2-CE 3.3Å; E378-K380 IonicContact OE2-NZ 3.56Å; E378-K380 PolarHBondContact OE2-NZ 2.88Å; E378-R385 PolarHBondContact N-O 3.42Å; E378-R385 PolarHBondContact O-N 3.02Å; E378-V387 HydrophobicContact CB-CG2 3.56Å
379	L	89.6	Confident	89.1	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123	174.5	-168.6	69.6	0	0	0	109.8	F244 L249 F252 M253 V259	F244-L379 HydrophobicContact CZ-CB 4.29Å; L249-L379 HydrophobicContact CB-CD1 4Å; L249-L379 HydrophobicContact CB-CD2 3.99Å; L249-L379 HydrophobicContact CD1-CD1 4.28Å; F252-L379 HydrophobicContact CB-CD2 3.57Å; M253-L379 HydrophobicContact CG-CD1 3.76Å; M253-L379 HydrophobicContact CG-CD2 4.09Å; M253-L379 HydrophobicContact CG-CG 4.04Å; M253-L379 HydrophobicContact SD-CD1 4.45Å; V259-L379 HydrophobicContact CB-CB 3.97Å; V259-L379 HydrophobicContact CB-CD2 4.19Å; V259-L379 HydrophobicContact CG2-CD2 4.12Å; V259-L379 PolarHBondContact O-N 3.12Å
380	K	85.5	Confident	89.3	Confident	73 Å²	73	46.8 Å²	46.8	32%	0.317	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	170	169.7	-57.7	-61.5	-176.8	-174.7	0	109.5	E378 T382 G383 R385	E378-K380 PolarHBondContact O-N 2.92Å; E378-K380 IonicContact OE1-NZ 2.68Å; E378-K380 PolarHBondContact OE1-NZ 2.99Å; E378-K380 WeakPolarHBondContact OE2-CE 3.3Å; E378-K380 IonicContact OE2-NZ 3.56Å; E378-K380 PolarHBondContact OE2-NZ 2.88Å; K380-T382 PolarHBondContact O-N 2.85Å; K380-G383 PolarHBondContact N-O 2.86Å; K380-G383 PolarHBondContact O-N 2.87Å; K380-R385 HydrophobicContact CG-CB 4.38Å
381	N	79.3	Confident	89.2	Confident	133 Å²	133	45.5 Å²	45.5	71%	0.711	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	178.6	-57.8	20	0	0	0	113.4	M253	M253-N381 VanDerWaalsContact CE-O 3.25Å; M253-N381 WeakPolarHBondContact CE-O 3.42Å
382	T	79.9	Confident	88.9	Confident	137 Å²	137	44.9 Å²	44.9	84%	0.84	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	0.4	175.7	51.3	0	0	0	0	113.8	K380	K380-T382 PolarHBondContact O-N 2.85Å
383	G	83.5	Confident	88.6	Confident	9 Å²	9	52 Å²	52	9%	0.093	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.2	-171.7	-177.7	0	0	0	0	0	113.6	K380 R385	K380-G383 PolarHBondContact N-O 2.86Å; K380-G383 PolarHBondContact O-N 2.87Å; G383-R385 PolarHBondContact O-N 2.92Å
384	P	87.1	Confident	88.2	Confident	55 Å²	55	53.2 Å²	53.2	36%	0.357	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.3	-179.7	29.3	-34.5	0	0	0	111.6	F244 K245 F377	F244-P384 HydrophobicContact CD1-CB 4.07Å; F244-P384 HydrophobicContact CE1-CB 3.87Å; K245-P384 HydrophobicContact CG-CG 4.34Å; F377-P384 HydrophobicContact CD1-CB 4.03Å
385	R	87.9	Confident	88	Confident	113 Å²	113	59.6 Å²	59.6	43%	0.426	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.9	177.4	-175	178.1	179.8	-179.4	1.1	110.5	F377 E378 K380 G383 V387 H401	F377-R385 WeakPolarHBondContact CA-O 3.47Å; F377-R385 WeakPolarHBondContact CD1-O 3.45Å; E378-R385 PolarHBondContact N-O 3.42Å; E378-R385 PolarHBondContact O-N 3.02Å; K380-R385 HydrophobicContact CG-CB 4.38Å; G383-R385 PolarHBondContact O-N 2.92Å; R385-V387 PolarHBondContact O-N 3.39Å; R385-H401 PolarHBondContact NH2-CD2 3.21Å; R385-H401 PolarHBondContact NH2-NE2 3.42Å
386	K	89.6	Confident	87.8	Confident	68 Å²	68	60.6 Å²	60.6	30%	0.296	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.6	169.7	-176.7	174.2	177	161.6	0	108.7	D375 F377 I399	D375-K386 HydrophobicContact CB-CD 4.31Å; D375-K386 HydrophobicContact CB-CG 4.43Å; D375-K386 WeakPolarHBondContact OD1-CE 3.32Å; D375-K386 IonicContact OD1-NZ 2.62Å; D375-K386 PolarHBondContact OD1-NZ 3.24Å; D375-K386 WeakPolarHBondContact OD2-CD 3.45Å; D375-K386 VanDerWaalsContact OD2-CE 3.22Å; D375-K386 WeakPolarHBondContact OD2-CE 3.13Å; D375-K386 IonicContact OD2-NZ 2.67Å; D375-K386 PolarHBondContact OD2-NZ 2.94Å; F377-K386 HydrophobicContact CD1-CB 4.38Å; F377-K386 HydrophobicContact CE1-CB 3.88Å; F377-K386 HydrophobicContact CE2-CB 4.22Å; F377-K386 HydrophobicContact CE2-CG 4.41Å; F377-K386 HydrophobicContact CZ-CB 3.79Å; F377-K386 HydrophobicContact CZ-CG 4.39Å; K386-I399 HydrophobicContact CD-CD1 4.13Å; K386-I399 HydrophobicContact CG-CD1 4.21Å
387	V	89.2	Confident	87.6	Confident	38 Å²	38	62.7 Å²	62.7	23%	0.23	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-27	-178.6	-177.1	0	0	0	0	111.4	V376 E378 R385 L398 I399	V376-V387 PolarHBondContact O-N 3.23Å; E378-V387 HydrophobicContact CB-CG2 3.56Å; R385-V387 PolarHBondContact O-N 3.39Å; V387-L398 HydrophobicContact CG1-CD2 4.32Å; V387-I399 PolarHBondContact O-N 3.3Å
388	G	90.9	Very high	87.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-171.7	179.4	0	0	0	0	0	112.3	V376 V397	V376-G388 PolarHBondContact N-O 3.03Å; V376-G388 PolarHBondContact O-N 2.92Å; G388-V397 CarbonylContact C-O 3.59Å; G388-V397 WeakPolarHBondContact CA-O 3.43Å
389	Y	92.4	Very high	86.7	Confident	74 Å²	74	67.6 Å²	67.6	29%	0.29	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.9	166.9	66.4	-89.4	0	0	0	110.1	T373 M374 V397 I399	T373-Y389 HydrophobicContact CG2-CD2 3.83Å; T373-Y389 HydrophobicContact CG2-CG 4.12Å; M374-Y389 CarbonylContact O-C 3.58Å; M374-Y389 VanDerWaalsContact O-CA 3.32Å; M374-Y389 WeakPolarHBondContact O-CA 3.3Å; Y389-V397 HydrophobicContact CD1-CB 4.34Å; Y389-V397 HydrophobicContact CD2-CB 4.45Å; Y389-V397 HydrophobicContact CE1-CB 3.84Å; Y389-V397 HydrophobicContact CE1-CG1 3.81Å; Y389-V397 HydrophobicContact CE2-CB 3.97Å; Y389-V397 HydrophobicContact CE2-CG2 4.09Å; Y389-V397 PolarHBondContact N-O 2.83Å; Y389-V397 PolarHBondContact O-N 3Å; Y389-I399 HydrophobicContact CD1-CG1 4.46Å
390	W	93.7	Very high	84.8	Confident	14 Å²	14	75.3 Å²	75.3	5%	0.053	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137	175	-172.8	92.1	0	0	0	110.2	A141 S144 Y372 T373 M374 D392 K395	A141-W390 HydrophobicContact CB-CB 4.2Å; A141-W390 HydrophobicContact CB-CD2 3.57Å; A141-W390 HydrophobicContact CB-CE3 3.86Å; A141-W390 HydrophobicContact CB-CG 3.7Å; S144-W390 PolarHBondContact OG-NE1 2.87Å; Y372-W390 HydrophobicContact CE2-CE3 4.22Å; Y372-W390 AromaticContact CE2-CZ3 3.71Å; Y372-W390 HydrophobicContact CE2-CZ3 3.71Å; Y372-W390 AromaticContact CZ-CZ3 4Å; T373-W390 WeakPolarHBondContact CA-O 3.49Å; M374-W390 PolarHBondContact N-O 3.42Å; M374-W390 PolarHBondContact O-N 3.31Å; W390-D392 VanDerWaalsContact CH2-OD1 3.3Å; W390-D392 WeakPolarHBondContact CH2-OD1 3.36Å; W390-K395 VanDerWaalsContact CA-O 3.28Å; W390-K395 WeakPolarHBondContact CA-O 3.22Å
391	N	89.9	Confident	82.8	Confident	22 Å²	22	77.2 Å²	77.2	12%	0.118	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	170	170.2	66.8	11	0	0	0	110.4	M393 D394 K395	N391-M393 VanDerWaalsContact C-N 3.25Å; N391-M393 PolarHBondContact O-N 2.6Å; N391-M393 PolarHBondContact OD1-N 3Å; N391-D394 PolarHBondContact ND2-OD2 3.41Å; N391-D394 WeakPolarHBondContact OD1-CA 3.48Å; N391-D394 VanDerWaalsContact OD1-CB 3.3Å; N391-D394 WeakPolarHBondContact OD1-CB 3.39Å; N391-D394 PolarHBondContact OD1-N 3Å; N391-D394 PolarHBondContact OD1-OD2 2.94Å; N391-K395 PolarHBondContact N-O 3.01Å; N391-K395 VanDerWaalsContact O-CA 3.27Å; N391-K395 WeakPolarHBondContact O-CA 3.44Å; N391-K395 PolarHBondContact O-N 2.79Å; N391-K395 PolarHBondContact OD1-N 3.43Å
392	D	84.1	Confident	80.5	Confident	72 Å²	72	78.8 Å²	78.8	39%	0.385	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.7	-177.5	-60.8	-49.1	0	0	0	113.5	N371 W390	N371-D392 PolarHBondContact N-OD2 3.22Å; W390-D392 VanDerWaalsContact CH2-OD1 3.3Å; W390-D392 WeakPolarHBondContact CH2-OD1 3.36Å
393	M	83.8	Confident	78.4	Confident	158 Å²	158	76.8 Å²	76.8	78%	0.778	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-56.9	-170.4	-66.6	-66	-65.2	0	0	113	N391	N391-M393 VanDerWaalsContact C-N 3.25Å; N391-M393 PolarHBondContact O-N 2.6Å; N391-M393 PolarHBondContact OD1-N 3Å
394	D	82.8	Confident	75.9	Confident	96 Å²	96	81 Å²	81	51%	0.513	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.1	-175.8	-45.9	-53.5	0	0	0	111.9	N391 V397	N391-D394 PolarHBondContact ND2-OD2 3.41Å; N391-D394 WeakPolarHBondContact OD1-CA 3.48Å; N391-D394 VanDerWaalsContact OD1-CB 3.3Å; N391-D394 WeakPolarHBondContact OD1-CB 3.39Å; N391-D394 PolarHBondContact OD1-N 3Å; N391-D394 PolarHBondContact OD1-OD2 2.94Å; D394-V397 HydrophobicContact CB-CG2 3.64Å
395	K	87.7	Confident	73.4	Confident	133 Å²	133	86.5 Å²	86.5	58%	0.578	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.3	-134.2	-174.3	-54.8	177.7	-176.9	175.2	0	110.3	W390 N391 V397	W390-K395 VanDerWaalsContact CA-O 3.28Å; W390-K395 WeakPolarHBondContact CA-O 3.22Å; N391-K395 PolarHBondContact N-O 3.01Å; N391-K395 VanDerWaalsContact O-CA 3.27Å; N391-K395 WeakPolarHBondContact O-CA 3.44Å; N391-K395 PolarHBondContact O-N 2.79Å; N391-K395 PolarHBondContact OD1-N 3.43Å; K395-V397 PolarHBondContact O-N 2.7Å
396	L	89.5	Confident	70.8	Confident	34 Å²	34	83.1 Å²	83.1	18%	0.178	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	109.5	-179.3	-178.2	63.2	0	0	0	110.4	L145 H148 V376 L398	L145-L396 HydrophobicContact CD1-CD2 4.09Å; H148-L396 HydrophobicContact CB-CD2 3.69Å; V376-L396 HydrophobicContact CB-CD1 4.49Å; V376-L396 HydrophobicContact CG2-CD1 3.66Å; L396-L398 HydrophobicContact CD1-CD2 4.45Å; L396-L398 HydrophobicContact CD2-CD2 4.26Å; L396-L398 HydrophobicContact CG-CD2 4.22Å
397	V	89.3	Confident	68.1	Low	46 Å²	46	85.5 Å²	85.5	28%	0.279	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.1	172.1	-177	0	0	0	0	108.7	G388 Y389 D394 K395	G388-V397 CarbonylContact C-O 3.59Å; G388-V397 WeakPolarHBondContact CA-O 3.43Å; Y389-V397 HydrophobicContact CD1-CB 4.34Å; Y389-V397 HydrophobicContact CD2-CB 4.45Å; Y389-V397 HydrophobicContact CE1-CB 3.84Å; Y389-V397 HydrophobicContact CE1-CG1 3.81Å; Y389-V397 HydrophobicContact CE2-CB 3.97Å; Y389-V397 HydrophobicContact CE2-CG2 4.09Å; Y389-V397 PolarHBondContact N-O 2.83Å; Y389-V397 PolarHBondContact O-N 3Å; D394-V397 HydrophobicContact CB-CG2 3.64Å; K395-V397 PolarHBondContact O-N 2.7Å
398	L	85.2	Confident	65.8	Low	63 Å²	63	88.3 Å²	88.3	33%	0.33	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	134.7	172.4	-56.7	174.8	0	0	0	109	V387 L396 Q400	V387-L398 HydrophobicContact CG1-CD2 4.32Å; L396-L398 HydrophobicContact CD1-CD2 4.45Å; L396-L398 HydrophobicContact CD2-CD2 4.26Å; L396-L398 HydrophobicContact CG-CD2 4.22Å; L398-Q400 PolarHBondContact O-N 3.43Å
399	I	80.2	Confident	63.5	Low	72 Å²	72	91.8 Å²	91.8	37%	0.369	48%	0.482	S	S	.	.			trans	-75.3	89.6	167.1	-64.7	167.2	0	0	0	105.6	K386 V387 Y389 H401	K386-I399 HydrophobicContact CD-CD1 4.13Å; K386-I399 HydrophobicContact CG-CD1 4.21Å; V387-I399 PolarHBondContact O-N 3.3Å; Y389-I399 HydrophobicContact CD1-CG1 4.46Å; I399-H401 VanDerWaalsContact C-N 3.3Å; I399-H401 PolarHBondContact O-N 3.09Å
400	Q	50.4	Low	61	Low	171 Å²	171	90.1 Å²	90.1	80%	0.799	48%	0.481	S	S	*	.			trans	-57.5	104.1	156.5	-67.7	-175.9	0.1	0	0	106	L398 E402	L398-Q400 PolarHBondContact O-N 3.43Å; Q400-E402 PolarHBondContact O-N 3.18Å
401	H	43.5	Very low	58.6	Low	114 Å²	114	92 Å²	92	53%	0.528	50%	0.5	S	S	.	.			trans	-56	122.6	143.3	-73.7	-86.3	0	0	0	105	R385 I399	R385-H401 PolarHBondContact NH2-CD2 3.21Å; R385-H401 PolarHBondContact NH2-NE2 3.42Å; I399-H401 VanDerWaalsContact C-N 3.3Å; I399-H401 PolarHBondContact O-N 3.09Å
402	E	29.4	Very low	56.7	Low	166 Å²	166	96.1 Å²	96.1	78%	0.776	52%	0.52	S	S	*	.			trans	-47.2	132.6	160.8	-74.9	-171	146.8	0	0	107	Q400 T404	Q400-E402 PolarHBondContact O-N 3.18Å; E402-T404 PolarHBondContact O-N 2.97Å
403	P	35.8	Very low	55	Low	95 Å²	95	97.4 Å²	97.4	62%	0.617	52%	0.524	S	S	*	.			trans	-67.2	86.2	172.2	28.7	-32.9	0	0	0	107.3	L405	P403-L405 WeakPolarHBondContact O-CA 3.39Å; P403-L405 PolarHBondContact O-N 2.58Å
404	T	31.2	Very low	53.6	Low	98 Å²	98	94.7 Å²	94.7	60%	0.601	51%	0.513	S	S	*	.			trans	-50.3	111.6	156.5	41	0	0	0	0	105.4	E402 G406 N407	E402-T404 PolarHBondContact O-N 2.97Å; T404-G406 PolarHBondContact O-N 3.28Å; T404-N407 PolarHBondContact O-N 2.76Å
405	L	34.2	Very low	53	Low	170 Å²	170	96.7 Å²	96.7	89%	0.89	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	32.7	-150.7	-155.1	81.3	0	0	0	114.2	P403	P403-L405 WeakPolarHBondContact O-CA 3.39Å; P403-L405 PolarHBondContact O-N 2.58Å
406	G	34.3	Very low	52.7	Low	42 Å²	42	93.7 Å²	93.7	43%	0.433	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.1	-3.2	177.9	0	0	0	0	0	115.9	T404	T404-G406 PolarHBondContact O-N 3.28Å
407	N	33.7	Very low	52.7	Low	118 Å²	118	92.4 Å²	92.4	63%	0.631	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-21.7	-173.3	-91.5	-0.8	0	0	0	116.9	T404 S410	T404-N407 PolarHBondContact O-N 2.76Å; N407-S410 PolarHBondContact O-OG 2.86Å
408	D	39.8	Very low	52.8	Low	96 Å²	96	92 Å²	92	51%	0.513	50%	0.497	S	S	.	.	S	Bend	trans	-99.9	-18.5	171.5	-83.5	-36.3	0	0	0	112.9	S410 A411 I412	D408-S410 VanDerWaalsContact C-N 3.31Å; D408-A411 WeakPolarHBondContact O-CB 3.45Å; D408-A411 PolarHBondContact O-N 3.12Å; D408-I412 PolarHBondContact O-N 3.25Å
409	T	42	Very low	53.3	Low	74 Å²	74	89.4 Å²	89.4	45%	0.454	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-42.8	163.8	41.4	0	0	0	0	110.7	A411 I412 E413	T409-A411 PolarHBondContact O-N 2.86Å; T409-I412 PolarHBondContact O-N 3.25Å; T409-E413 VanDerWaalsContact O-CG 3.31Å; T409-E413 WeakPolarHBondContact O-CG 3.47Å; T409-E413 PolarHBondContact O-N 2.92Å
410	S	40.1	Very low	54	Low	39 Å²	39	86 Å²	86	27%	0.273	47%	0.466	S	S	.	.	H	α-helix	trans	-66.5	-18.9	177.8	65.2	0	0	0	0	114.1	N407 D408 N414	N407-S410 PolarHBondContact O-OG 2.86Å; D408-S410 VanDerWaalsContact C-N 3.31Å; S410-N414 WeakPolarHBondContact O-CB 3.38Å; S410-N414 PolarHBondContact O-N 2.94Å; S410-N414 PolarHBondContact O-ND2 3.35Å
411	A	44.7	Very low	56.2	Low	54 Å²	54	78 Å²	78	45%	0.446	43%	0.429	S	S	.	.	H	α-helix	trans	-77.9	-28.3	171	0	0	0	0	0	113	D408 T409 R415	D408-A411 WeakPolarHBondContact O-CB 3.45Å; D408-A411 PolarHBondContact O-N 3.12Å; T409-A411 PolarHBondContact O-N 2.86Å; A411-R415 WeakPolarHBondContact O-CB 3.32Å; A411-R415 PolarHBondContact O-N 2.94Å
412	I	48.2	Very low	58.5	Low	107 Å²	107	73.2 Å²	73.2	55%	0.549	41%	0.407	S	S	.	.	H	α-helix	trans	-81.2	-42.7	171.7	-67.6	171.4	0	0	0	110.3	D408 T409 N414 R415 I460	D408-I412 PolarHBondContact O-N 3.25Å; T409-I412 PolarHBondContact O-N 3.25Å; I412-N414 VanDerWaalsContact C-N 3.28Å; I412-N414 PolarHBondContact O-N 2.92Å; I412-R415 PolarHBondContact O-N 3.33Å; I412-I460 HydrophobicContact CG2-CG2 4.28Å
413	E	49.2	Very low	61.5	Low	99 Å²	99	68.9 Å²	68.9	46%	0.463	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-29.9	178.1	-68.6	162.8	-174.2	0	0	113.2	T409	T409-E413 VanDerWaalsContact O-CG 3.31Å; T409-E413 WeakPolarHBondContact O-CG 3.47Å; T409-E413 PolarHBondContact O-N 2.92Å
414	N	55.3	Low	64.1	Low	102 Å²	102	65.7 Å²	65.7	55%	0.545	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.1	176.7	-75.6	-57.7	0	0	0	115.4	S410 I412 T416 K461	S410-N414 WeakPolarHBondContact O-CB 3.38Å; S410-N414 PolarHBondContact O-N 2.94Å; S410-N414 PolarHBondContact O-ND2 3.35Å; I412-N414 VanDerWaalsContact C-N 3.28Å; I412-N414 PolarHBondContact O-N 2.92Å; N414-T416 PolarHBondContact O-N 2.79Å; N414-K461 PolarHBondContact OD1-NZ 2.94Å
415	R	68.6	Low	67	Low	137 Å²	137	62.5 Å²	62.5	52%	0.517	35%	0.35	S	S	.	.	S	Bend	trans	-83.5	116.2	177.4	179.2	174.5	175.3	144.7	-6.3	110.5	A411 I412 V417 E495	A411-R415 WeakPolarHBondContact O-CB 3.32Å; A411-R415 PolarHBondContact O-N 2.94Å; I412-R415 PolarHBondContact O-N 3.33Å; R415-V417 PolarHBondContact O-N 3.37Å; R415-V417 VanDerWaalsContact O-N 3.14Å; R415-E495 IonicContact CZ-OE1 2.69Å; R415-E495 IonicContact NE-OE1 3.62Å; R415-E495 PolarHBondContact NE-OE1 2.93Å; R415-E495 IonicContact NE-OE2 2.71Å; R415-E495 IonicContact NH2-OE1 3.47Å; R415-E495 PolarHBondContact NH2-OE1 2.9Å
416	T	82.6	Confident	69.8	Low	71 Å²	71	54.5 Å²	54.5	44%	0.436	31%	0.308	S	S	.	.			trans	-69.8	109.1	174	-50.6	0	0	0	0	110.8	N414 K461 K463	N414-T416 PolarHBondContact O-N 2.79Å; T416-K461 WeakPolarHBondContact CA-O 3.41Å; T416-K463 HydrophobicContact CG2-CB 3.76Å
417	V	89.1	Confident	72.7	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.5	177.3	177.7	0	0	0	0	110.6	R415 V419 I460 K461 Y462 K463 E495 I496 L764	R415-V417 PolarHBondContact O-N 3.37Å; R415-V417 VanDerWaalsContact O-N 3.14Å; V417-V419 PolarHBondContact O-N 3.03Å; V417-I460 HydrophobicContact CB-CD1 4.35Å; V417-I460 HydrophobicContact CG2-CB 4.32Å; V417-I460 HydrophobicContact CG2-CD1 3.94Å; V417-K461 PolarHBondContact N-O 3.19Å; V417-Y462 CarbonylContact O-C 3.51Å; V417-Y462 VanDerWaalsContact O-CA 3.28Å; V417-Y462 WeakPolarHBondContact O-CA 3.44Å; V417-K463 PolarHBondContact O-N 2.9Å; V417-E495 WeakPolarHBondContact CA-OE2 3.45Å; V417-E495 HydrophobicContact CG1-CB 3.91Å; V417-I496 HydrophobicContact CG1-CG2 3.73Å; V417-L764 HydrophobicContact CG1-CD1 4.19Å
418	V	91.5	Very high	75.7	Confident	37 Å²	37	47 Å²	47	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.5	177	-178.9	0	0	0	0	109.4	A465 A494 E495 I496	V418-A465 HydrophobicContact CG1-CB 3.99Å; V418-A494 HydrophobicContact CG1-CB 4.29Å; V418-E495 PolarHBondContact O-N 3.38Å; V418-I496 PolarHBondContact O-N 3.48Å
419	V	95.4	Very high	78.2	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108	177.1	-177.8	0	0	0	0	108.3	V417 Y462 K463 A465 I496 V498	V417-V419 PolarHBondContact O-N 3.03Å; V419-Y462 HydrophobicContact CG2-CD2 3.94Å; V419-Y462 HydrophobicContact CG2-CG 4.26Å; V419-K463 PolarHBondContact N-O 3.43Å; V419-A465 PolarHBondContact O-N 3.1Å; V419-I496 WeakPolarHBondContact CA-O 3.28Å; V419-I496 HydrophobicContact CB-CG2 4.08Å; V419-I496 HydrophobicContact CG1-CG2 4.27Å; V419-I496 HydrophobicContact CG2-CG2 3.6Å; V419-V498 HydrophobicContact CG1-CB 3.88Å; V419-V498 HydrophobicContact CG1-CG2 3.88Å
420	T	96.1	Very high	80.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.5	171.7	-172.9	0	0	0	0	111.1	A465 M485 E488 L489 A494 I496 A497 V498	T420-A465 WeakPolarHBondContact CA-O 3.21Å; T420-M485 HydrophobicContact CG2-CB 4.11Å; T420-M485 HydrophobicContact CG2-CG 4.31Å; T420-E488 VanDerWaalsContact CB-OE2 3.22Å; T420-E488 WeakPolarHBondContact CB-OE2 3.37Å; T420-E488 HydrophobicContact CG2-CB 4.48Å; T420-E488 PolarHBondContact OG1-OE2 3.44Å; T420-L489 HydrophobicContact CG2-CD2 4.31Å; T420-A494 HydrophobicContact CG2-CB 3.6Å; T420-I496 PolarHBondContact N-O 3.36Å; T420-A497 HydrophobicContact CG2-CB 3.53Å; T420-A497 WeakPolarHBondContact O-CA 3.32Å; T420-V498 PolarHBondContact O-N 3.03Å
421	T	95.5	Very high	83	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	174.2	177.7	-158.2	0	0	0	0	111.9	V428 I464 A465 I466 V467 V498	T421-V428 HydrophobicContact CG2-CB 4.5Å; T421-V428 HydrophobicContact CG2-CG1 4.22Å; T421-V428 HydrophobicContact CG2-CG2 3.92Å; T421-V428 WeakPolarHBondContact OG1-CG2 3.47Å; T421-I464 HydrophobicContact CG2-CG2 3.67Å; T421-A465 PolarHBondContact N-O 2.95Å; T421-I466 HydrophobicContact CG2-CD1 3.7Å; T421-I466 WeakPolarHBondContact O-CA 3.47Å; T421-V467 PolarHBondContact O-N 3.38Å; T421-V498 WeakPolarHBondContact CB-O 3.48Å; T421-V498 PolarHBondContact OG1-O 3Å
422	I	92.9	Very high	85	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.072	26%	0.258	C	S	.	.			trans	-123.5	143.5	-178.1	-170.5	169.2	0	0	0	110.5	E424 V467 G470 Y472 M485 A499 P500	I422-E424 PolarHBondContact O-N 3.47Å; I422-E424 VanDerWaalsContact O-N 3.15Å; I422-V467 HydrophobicContact CB-CG1 4.09Å; I422-V467 HydrophobicContact CD1-CG1 4.49Å; I422-V467 HydrophobicContact CG1-CG1 4.15Å; I422-G470 WeakPolarHBondContact CD1-O 3.29Å; I422-Y472 HydrophobicContact CD1-CE1 4.46Å; I422-Y472 HydrophobicContact CD1-CE2 4.42Å; I422-Y472 HydrophobicContact CG2-CE1 4.12Å; I422-M485 HydrophobicContact CB-CE 4.03Å; I422-M485 HydrophobicContact CB-SD 4.13Å; I422-M485 HydrophobicContact CG2-CE 3.76Å; I422-M485 HydrophobicContact CG2-SD 4.25Å; I422-A499 HydrophobicContact CG2-CB 4.48Å; I422-P500 HydrophobicContact CG2-CG 4.37Å
423	L	91.8	Very high	87	Confident	76 Å²	76	52.6 Å²	52.6	40%	0.398	26%	0.259	S	S	.	.			trans	-75.3	99.4	175.8	-68.2	170.4	0	0	0	110.3	V428 F430 F443 I466	L423-V428 HydrophobicContact CD2-CG1 4.24Å; L423-F430 HydrophobicContact CD1-CD2 4.4Å; L423-F430 HydrophobicContact CD1-CE2 3.48Å; L423-F430 VanDerWaalsContact CD1-CE2 3.48Å; L423-F430 HydrophobicContact CD1-CZ 3.86Å; L423-F430 HydrophobicContact CD2-CD2 4.22Å; L423-F430 HydrophobicContact CD2-CE2 3.88Å; L423-F430 HydrophobicContact CD2-CZ 4.1Å; L423-F430 HydrophobicContact CG-CE2 4.35Å; L423-F443 HydrophobicContact CD2-CD1 4.42Å; L423-F443 HydrophobicContact CD2-CE1 4.28Å; L423-I466 HydrophobicContact CD1-CG2 4.13Å; L423-I466 HydrophobicContact CD2-CD1 3.93Å; L423-I466 HydrophobicContact CD2-CG1 4.41Å; L423-I466 HydrophobicContact CG-CD1 4.06Å; L423-I466 HydrophobicContact CG-CG1 4.31Å; L423-I466 HydrophobicContact CG-CG2 4Å
424	E	90.4	Very high	88.7	Confident	27 Å²	27	50.9 Å²	50.9	13%	0.126	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-145.7	129.3	173.9	-169.9	173	-131.7	0	0	110.4	I422 Y427 V428 Y472 T708 M730	I422-E424 PolarHBondContact O-N 3.47Å; I422-E424 VanDerWaalsContact O-N 3.15Å; E424-Y427 HydrophobicContact CB-CD2 4.36Å; E424-Y427 HydrophobicContact CG-CD2 4.25Å; E424-Y427 WeakPolarHBondContact O-CA 3.22Å; E424-Y427 WeakPolarHBondContact O-CB 3.45Å; E424-Y427 PolarHBondContact O-N 2.97Å; E424-V428 CarbonylContact C-O 3.57Å; E424-V428 PolarHBondContact N-O 3.38Å; E424-V428 PolarHBondContact O-N 3.38Å; E424-Y472 VanDerWaalsContact CD-OH 3.24Å; E424-Y472 PolarHBondContact OE1-OH 2.73Å; E424-Y472 PolarHBondContact OE2-OH 2.95Å; E424-T708 PolarHBondContact OE1-OG1 3.27Å; E424-M730 HydrophobicContact CG-CE 4.42Å
425	A	91.4	Very high	90.1	Very high	32 Å²	32	52.4 Å²	52.4	26%	0.264	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	132.7	-179	0	0	0	0	0	110.8	M429 Y733	A425-M429 HydrophobicContact CB-CG 3.67Å; A425-M429 HydrophobicContact CB-SD 3.5Å; A425-M429 WeakPolarHBondContact CB-SD 3.32Å; A425-Y733 HydrophobicContact CB-CE1 3.95Å; A425-Y733 WeakPolarHBondContact CB-OH 3.5Å; A425-Y733 WeakPolarHBondContact O-CD1 3.47Å; A425-Y733 WeakPolarHBondContact O-CE1 3.37Å
426	P	93.9	Very high	90.9	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	cis	-99.1	14.3	8.2	39.2	-33.4	0	0	0	114.3	M429 G445 Y446 Y733 W788 W789	P426-M429 HydrophobicContact CB-CE 4.35Å; P426-G445 CarbonylContact O-C 3.57Å; P426-G445 WeakPolarHBondContact O-CA 3.47Å; P426-Y446 PolarHBondContact O-N 3.12Å; P426-Y733 HydrophobicContact CB-CD2 4.03Å; P426-Y733 HydrophobicContact CB-CE2 3.56Å; P426-Y733 HydrophobicContact CG-CD1 4.47Å; P426-Y733 HydrophobicContact CG-CD2 3.62Å; P426-Y733 HydrophobicContact CG-CE2 3.72Å; P426-Y733 HydrophobicContact CG-CG 4.01Å; P426-W788 HydrophobicContact CB-CB 4.35Å; P426-W789 HydrophobicContact CG-CD2 4.16Å; P426-W789 HydrophobicContact CG-CE3 4.06Å; P426-W789 HydrophobicContact CG-CH2 3.6Å; P426-W789 HydrophobicContact CG-CZ2 3.7Å; P426-W789 HydrophobicContact CG-CZ3 3.8Å
427	Y	94.7	Very high	91.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-53.4	-176.5	-58.4	-77.6	0	0	0	112.8	E424 G445 Y446 C447 P500 T729 Y754 W789	E424-Y427 HydrophobicContact CB-CD2 4.36Å; E424-Y427 HydrophobicContact CG-CD2 4.25Å; E424-Y427 WeakPolarHBondContact O-CA 3.22Å; E424-Y427 WeakPolarHBondContact O-CB 3.45Å; E424-Y427 PolarHBondContact O-N 2.97Å; Y427-G445 CarbonylContact O-C 3.6Å; Y427-G445 VanDerWaalsContact O-C 3.23Å; Y427-G445 VanDerWaalsContact O-CA 3.32Å; Y427-G445 WeakPolarHBondContact O-CA 3.49Å; Y427-Y446 HydrophobicContact CD1-CD1 4.47Å; Y427-Y446 PolarHBondContact O-N 2.86Å; Y427-Y446 VanDerWaalsContact O-N 3.12Å; Y427-C447 WeakPolarHBondContact O-CB 3.45Å; Y427-C447 PolarHBondContact O-N 2.89Å; Y427-P500 HydrophobicContact CD1-CB 3.95Å; Y427-P500 HydrophobicContact CD1-CG 4.13Å; Y427-P500 HydrophobicContact CD2-CB 3.99Å; Y427-P500 HydrophobicContact CD2-CG 3.67Å; Y427-P500 HydrophobicContact CE1-CB 3.92Å; Y427-P500 HydrophobicContact CE2-CB 3.96Å; Y427-P500 HydrophobicContact CE2-CG 4.12Å; Y427-P500 HydrophobicContact CG-CB 3.99Å; Y427-P500 HydrophobicContact CG-CG 3.68Å; Y427-T729 WeakPolarHBondContact OH-CB 3.38Å; Y427-T729 PolarHBondContact OH-OG1 3.03Å; Y427-Y754 HydrophobicContact CE1-CD2 4.39Å; Y427-Y754 AromaticContact CE1-CE2 3.89Å; Y427-Y754 HydrophobicContact CE1-CE2 3.89Å; Y427-Y754 AromaticContact CZ-CE2 3.82Å; Y427-Y754 WeakPolarHBondContact OH-CE2 3.49Å; Y427-W789 HydrophobicContact CD1-CH2 4.11Å; Y427-W789 AromaticContact CE1-CH2 3.56Å; Y427-W789 HydrophobicContact CE1-CH2 3.56Å; Y427-W789 AromaticContact CE1-CZ2 3.97Å; Y427-W789 HydrophobicContact CE1-CZ2 3.97Å; Y427-W789 AromaticContact CZ-CH2 3.87Å; Y427-W789 AromaticContact CZ-CZ2 3.79Å
428	V	95.5	Very high	90.8	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-144.4	120.8	174.5	-172.9	0	0	0	0	108.8	T421 L423 E424 F443 C447 V448	T421-V428 HydrophobicContact CG2-CB 4.5Å; T421-V428 HydrophobicContact CG2-CG1 4.22Å; T421-V428 HydrophobicContact CG2-CG2 3.92Å; T421-V428 WeakPolarHBondContact OG1-CG2 3.47Å; L423-V428 HydrophobicContact CD2-CG1 4.24Å; E424-V428 CarbonylContact C-O 3.57Å; E424-V428 PolarHBondContact N-O 3.38Å; E424-V428 PolarHBondContact O-N 3.38Å; V428-F443 HydrophobicContact CG1-CB 4.21Å; V428-F443 HydrophobicContact CG1-CD1 4Å; V428-F443 HydrophobicContact CG1-CG 4.34Å; V428-C447 HydrophobicContact CG2-CB 3.79Å; V428-V448 HydrophobicContact CG1-CG2 4.07Å; V428-V448 HydrophobicContact CG2-CG2 4.24Å
429	M	93.6	Very high	90.6	Very high	38 Å²	38	59.7 Å²	59.7	19%	0.187	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	158.3	177.9	-60.5	176.8	-69.9	0	0	108.8	A425 P426 F443 E444 W788	A425-M429 HydrophobicContact CB-CG 3.67Å; A425-M429 HydrophobicContact CB-SD 3.5Å; A425-M429 WeakPolarHBondContact CB-SD 3.32Å; P426-M429 HydrophobicContact CB-CE 4.35Å; M429-F443 CarbonylContact O-C 3.52Å; M429-F443 WeakPolarHBondContact O-CA 3.47Å; M429-E444 HydrophobicContact CB-CG 4.46Å; M429-E444 HydrophobicContact CE-CG 4.47Å; M429-E444 PolarHBondContact N-O 3.03Å; M429-E444 PolarHBondContact O-N 3.4Å; M429-W788 HydrophobicContact CE-CE3 4.01Å; M429-W788 HydrophobicContact CE-CZ3 3.58Å
430	F	92.2	Very high	90.4	Very high	95 Å²	95	61.1 Å²	61.1	42%	0.417	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	138.9	162.6	-69.5	-68.7	0	0	0	109.8	L423 H434 F443	L423-F430 HydrophobicContact CD1-CD2 4.4Å; L423-F430 HydrophobicContact CD1-CE2 3.48Å; L423-F430 VanDerWaalsContact CD1-CE2 3.48Å; L423-F430 HydrophobicContact CD1-CZ 3.86Å; L423-F430 HydrophobicContact CD2-CD2 4.22Å; L423-F430 HydrophobicContact CD2-CE2 3.88Å; L423-F430 HydrophobicContact CD2-CZ 4.1Å; L423-F430 HydrophobicContact CG-CE2 4.35Å; F430-H434 HydrophobicContact CB-CB 4.15Å; F430-H434 HydrophobicContact CD1-CB 4.14Å; F430-F443 HydrophobicContact CD1-CD1 4.06Å; F430-F443 AromaticContact CD1-CE1 3.9Å; F430-F443 HydrophobicContact CD1-CE1 3.9Å; F430-F443 HydrophobicContact CE1-CD1 4.04Å; F430-F443 AromaticContact CE1-CE1 3.4Å; F430-F443 HydrophobicContact CE1-CE1 3.4Å; F430-F443 HydrophobicContact CE1-CZ 4.16Å; F430-F443 HydrophobicContact CZ-CE1 4.08Å
431	K	91.4	Very high	90.1	Very high	51 Å²	51	65.9 Å²	65.9	22%	0.222	34%	0.343	C	S	.	.			trans	-61.1	150.1	165.6	-68.5	-175.8	-168.9	158.8	0	109.2	N433 H434 F437 D441 K442 F443 E444	K431-N433 PolarHBondContact O-N 3.05Å; K431-H434 WeakPolarHBondContact O-CB 3.33Å; K431-H434 PolarHBondContact O-CD2 2.81Å; K431-H434 PolarHBondContact O-N 2.69Å; K431-F437 HydrophobicContact CD-CE2 4.5Å; K431-D441 WeakPolarHBondContact CD-O 3.49Å; K431-D441 WeakPolarHBondContact CE-O 3.43Å; K431-D441 PolarHBondContact NZ-O 3.03Å; K431-D441 IonicContact NZ-OD1 2.68Å; K431-D441 PolarHBondContact NZ-OD1 3.1Å; K431-K442 PolarHBondContact N-O 2.98Å; K431-F443 VanDerWaalsContact CE-O 3.3Å; K431-F443 WeakPolarHBondContact CE-O 3.41Å; K431-E444 HydrophobicContact CG-CB 3.78Å; K431-E444 HydrophobicContact CG-CG 3.87Å
432	K	86.7	Confident	89.9	Confident	199 Å²	199	69.2 Å²	69.2	87%	0.865	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.2	178.4	-66.6	-174.2	179.2	-178.8	0	114.2
433	N	88.7	Confident	90	Very high	105 Å²	105	69.5 Å²	69.5	56%	0.561	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	41.1	179.7	-56.9	14.8	0	0	0	110.9	K431 D435 T436 F437	K431-N433 PolarHBondContact O-N 3.05Å; N433-D435 PolarHBondContact O-N 3.23Å; N433-D435 VanDerWaalsContact O-N 3.1Å; N433-T436 PolarHBondContact O-N 3.33Å; N433-T436 VanDerWaalsContact O-N 3.15Å; N433-T436 PolarHBondContact O-OG1 3.38Å; N433-F437 HydrophobicContact CB-CE2 4.26Å; N433-F437 VanDerWaalsContact O-CD2 3.27Å; N433-F437 WeakPolarHBondContact O-CD2 3.35Å
434	H	84.6	Confident	90.1	Very high	62 Å²	62	68.5 Å²	68.5	29%	0.287	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-58.6	-25	-172.9	58	70.5	0	0	0	114.7	F430 K431 T436 K442	F430-H434 HydrophobicContact CB-CB 4.15Å; F430-H434 HydrophobicContact CD1-CB 4.14Å; K431-H434 WeakPolarHBondContact O-CB 3.33Å; K431-H434 PolarHBondContact O-CD2 2.81Å; K431-H434 PolarHBondContact O-N 2.69Å; H434-T436 VanDerWaalsContact C-N 3.31Å; H434-T436 PolarHBondContact O-N 2.91Å; H434-K442 HydrophobicContact CB-CB 4.49Å
435	D	85.2	Confident	90.3	Very high	134 Å²	134	67.2 Å²	67.2	72%	0.717	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-73.6	-20.2	-179.3	-62.3	-37.9	0	0	0	113.7	N433	N433-D435 PolarHBondContact O-N 3.23Å; N433-D435 VanDerWaalsContact O-N 3.1Å
436	T	86.1	Confident	90.5	Very high	106 Å²	106	65.7 Å²	65.7	65%	0.65	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-90.2	-5.7	178.1	60.2	0	0	0	0	113.9	N433 H434	N433-T436 PolarHBondContact O-N 3.33Å; N433-T436 VanDerWaalsContact O-N 3.15Å; N433-T436 PolarHBondContact O-OG1 3.38Å; H434-T436 VanDerWaalsContact C-N 3.31Å; H434-T436 PolarHBondContact O-N 2.91Å
437	F	85.5	Confident	90.7	Very high	82 Å²	82	65.8 Å²	65.8	36%	0.36	33%	0.333	S	S	.	.			trans	-110.4	154.3	179.6	-65.7	-74	0	0	0	110.7	K431 N433 D441 K442	K431-F437 HydrophobicContact CD-CE2 4.5Å; N433-F437 HydrophobicContact CB-CE2 4.26Å; N433-F437 VanDerWaalsContact O-CD2 3.27Å; N433-F437 WeakPolarHBondContact O-CD2 3.35Å; F437-D441 HydrophobicContact CB-CB 4.06Å; F437-D441 HydrophobicContact CD1-CB 4.18Å; F437-D441 HydrophobicContact CG-CB 4.32Å; F437-K442 HydrophobicContact CB-CG 4.33Å; F437-K442 WeakPolarHBondContact O-CE 3.49Å; F437-K442 WeakPolarHBondContact O-CG 3.49Å
438	E	84.8	Confident	90.7	Very high	169 Å²	169	66.6 Å²	66.6	79%	0.79	34%	0.338	S	S	*	.			trans	-118	160.6	172.8	-66.8	-158.1	153.5	0	0	112
439	G	87.3	Confident	90.8	Very high	49 Å²	49	68.2 Å²	68.2	51%	0.505	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	62.2	-136	179.2	0	0	0	0	0	114	D441	G439-D441 VanDerWaalsContact C-N 3.29Å; G439-D441 PolarHBondContact O-N 3.14Å
440	N	90.1	Very high	90.8	Very high	38 Å²	38	66.4 Å²	66.4	20%	0.203	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-70.1	-25.5	-174.6	-62.9	-17.3	0	0	0	112.7	K442 F443 Y462 K463 I464	N440-K442 PolarHBondContact O-N 2.86Å; N440-F443 PolarHBondContact O-N 3.36Å; N440-F443 VanDerWaalsContact O-N 3.09Å; N440-Y462 WeakPolarHBondContact ND2-CE2 3.5Å; N440-Y462 PolarHBondContact ND2-O 3.14Å; N440-K463 WeakPolarHBondContact OD1-CA 3.35Å; N440-I464 HydrophobicContact CB-CD1 4.33Å; N440-I464 PolarHBondContact OD1-N 2.89Å
441	D	89.4	Confident	91	Very high	99 Å²	99	62.2 Å²	62.2	53%	0.529	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-68.5	-7	-175.8	-81.2	-52.8	0	0	0	114.3	K431 F437 G439 F443	K431-D441 WeakPolarHBondContact CD-O 3.49Å; K431-D441 WeakPolarHBondContact CE-O 3.43Å; K431-D441 PolarHBondContact NZ-O 3.03Å; K431-D441 IonicContact NZ-OD1 2.68Å; K431-D441 PolarHBondContact NZ-OD1 3.1Å; F437-D441 HydrophobicContact CB-CB 4.06Å; F437-D441 HydrophobicContact CD1-CB 4.18Å; F437-D441 HydrophobicContact CG-CB 4.32Å; G439-D441 VanDerWaalsContact C-N 3.29Å; G439-D441 PolarHBondContact O-N 3.14Å; D441-F443 PolarHBondContact O-N 3.3Å
442	K	92	Very high	91.1	Very high	73 Å²	73	62.3 Å²	62.3	32%	0.317	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.1	-26	169.1	-65	-169.7	167.8	-173.7	0	113.1	K431 H434 F437 N440	K431-K442 PolarHBondContact N-O 2.98Å; H434-K442 HydrophobicContact CB-CB 4.49Å; F437-K442 HydrophobicContact CB-CG 4.33Å; F437-K442 WeakPolarHBondContact O-CE 3.49Å; F437-K442 WeakPolarHBondContact O-CG 3.49Å; N440-K442 PolarHBondContact O-N 2.86Å
443	F	94.4	Very high	91.5	Very high	20 Å²	20	55 Å²	55	9%	0.088	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	149.5	-171.7	-53.7	-72.7	0	0	0	112.2	L423 V428 M429 F430 K431 N440 D441 V448 I464 I466	L423-F443 HydrophobicContact CD2-CD1 4.42Å; L423-F443 HydrophobicContact CD2-CE1 4.28Å; V428-F443 HydrophobicContact CG1-CB 4.21Å; V428-F443 HydrophobicContact CG1-CD1 4Å; V428-F443 HydrophobicContact CG1-CG 4.34Å; M429-F443 CarbonylContact O-C 3.52Å; M429-F443 WeakPolarHBondContact O-CA 3.47Å; F430-F443 HydrophobicContact CD1-CD1 4.06Å; F430-F443 AromaticContact CD1-CE1 3.9Å; F430-F443 HydrophobicContact CD1-CE1 3.9Å; F430-F443 HydrophobicContact CE1-CD1 4.04Å; F430-F443 AromaticContact CE1-CE1 3.4Å; F430-F443 HydrophobicContact CE1-CE1 3.4Å; F430-F443 HydrophobicContact CE1-CZ 4.16Å; F430-F443 HydrophobicContact CZ-CE1 4.08Å; K431-F443 VanDerWaalsContact CE-O 3.3Å; K431-F443 WeakPolarHBondContact CE-O 3.41Å; N440-F443 PolarHBondContact O-N 3.36Å; N440-F443 VanDerWaalsContact O-N 3.09Å; D441-F443 PolarHBondContact O-N 3.3Å; F443-V448 HydrophobicContact CB-CG2 3.87Å; F443-I464 HydrophobicContact CB-CD1 4.4Å; F443-I464 HydrophobicContact CD2-CB 4.02Å; F443-I464 HydrophobicContact CD2-CD1 4.1Å; F443-I464 HydrophobicContact CD2-CG2 3.87Å; F443-I464 HydrophobicContact CE2-CB 4.07Å; F443-I464 HydrophobicContact CE2-CG2 3.88Å; F443-I464 HydrophobicContact CG-CG2 4.44Å; F443-I464 HydrophobicContact CZ-CG2 4.46Å; F443-I466 HydrophobicContact CD1-CD1 4.35Å; F443-I466 HydrophobicContact CE1-CD1 3.69Å; F443-I466 HydrophobicContact CE1-CG1 3.81Å; F443-I466 HydrophobicContact CZ-CD1 3.97Å; F443-I466 HydrophobicContact CZ-CG1 3.84Å
444	E	94.6	Very high	91.7	Very high	55 Å²	55	50.1 Å²	50.1	26%	0.257	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.9	167.8	71.2	170.5	138.8	0	0	110.6	M429 K431 W788 K792	M429-E444 HydrophobicContact CB-CG 4.46Å; M429-E444 HydrophobicContact CE-CG 4.47Å; M429-E444 PolarHBondContact N-O 3.03Å; M429-E444 PolarHBondContact O-N 3.4Å; K431-E444 HydrophobicContact CG-CB 3.78Å; K431-E444 HydrophobicContact CG-CG 3.87Å; E444-W788 HydrophobicContact CB-CH2 3.94Å; E444-W788 HydrophobicContact CG-CH2 4.13Å; E444-W788 HydrophobicContact CG-CZ3 4.48Å; E444-K792 IonicContact OE2-NZ 2.66Å; E444-K792 PolarHBondContact OE2-NZ 2.93Å
445	G	94.9	Very high	92.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	151.2	175.6	177.6	0	0	0	0	0	113.2	P426 Y427 C447 V448 D449 W788	P426-G445 CarbonylContact O-C 3.57Å; P426-G445 WeakPolarHBondContact O-CA 3.47Å; Y427-G445 CarbonylContact O-C 3.6Å; Y427-G445 VanDerWaalsContact O-C 3.23Å; Y427-G445 VanDerWaalsContact O-CA 3.32Å; Y427-G445 WeakPolarHBondContact O-CA 3.49Å; G445-C447 PolarHBondContact O-N 3.48Å; G445-V448 WeakPolarHBondContact O-CB 3.14Å; G445-V448 PolarHBondContact O-N 3.04Å; G445-V448 VanDerWaalsContact O-N 3.16Å; G445-D449 PolarHBondContact O-N 3.4Å; G445-W788 VanDerWaalsContact C-CE2 3.42Å; G445-W788 VanDerWaalsContact CA-CH2 3.49Å; G445-W788 VanDerWaalsContact CA-CZ2 3.5Å
446	Y	96.1	Very high	92.3	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-44.2	-179.4	179.4	-83.9	0	0	0	112.9	P426 Y427 V448 L450 F517 M518 L784 K785 W789	P426-Y446 PolarHBondContact O-N 3.12Å; Y427-Y446 HydrophobicContact CD1-CD1 4.47Å; Y427-Y446 PolarHBondContact O-N 2.86Å; Y427-Y446 VanDerWaalsContact O-N 3.12Å; Y446-V448 VanDerWaalsContact C-N 3.3Å; Y446-V448 PolarHBondContact O-N 2.8Å; Y446-L450 HydrophobicContact CE1-CD2 4.05Å; Y446-L450 VanDerWaalsContact O-CB 3.28Å; Y446-L450 WeakPolarHBondContact O-CB 3.36Å; Y446-L450 PolarHBondContact O-N 2.86Å; Y446-F517 HydrophobicContact CD1-CE2 4.44Å; Y446-F517 AromaticContact CE1-CD2 3.83Å; Y446-F517 HydrophobicContact CE1-CD2 3.83Å; Y446-F517 AromaticContact CE1-CE2 3.62Å; Y446-F517 HydrophobicContact CE1-CE2 3.62Å; Y446-M518 HydrophobicContact CD1-CE 4.45Å; Y446-M518 HydrophobicContact CD2-CE 4.33Å; Y446-M518 HydrophobicContact CE1-CE 3.89Å; Y446-M518 HydrophobicContact CE2-CE 3.72Å; Y446-M518 VanDerWaalsContact CZ-CE 3.49Å; Y446-L784 HydrophobicContact CD2-CB 3.84Å; Y446-L784 HydrophobicContact CE2-CB 3.52Å; Y446-K785 HydrophobicContact CE2-CB 4.41Å; Y446-W789 AromaticContact CD2-CZ3 3.72Å; Y446-W789 HydrophobicContact CD2-CZ3 3.72Å; Y446-W789 HydrophobicContact CG-CH2 4.36Å; Y446-W789 AromaticContact CG-CZ3 3.89Å; Y446-W789 HydrophobicContact CG-CZ3 3.89Å
447	C	96.4	Very high	92.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-73.1	-23.5	179.3	-71.5	0	0	0	0	112.6	Y427 V428 G445 A451 V498	Y427-C447 WeakPolarHBondContact O-CB 3.45Å; Y427-C447 PolarHBondContact O-N 2.89Å; V428-C447 HydrophobicContact CG2-CB 3.79Å; G445-C447 PolarHBondContact O-N 3.48Å; C447-A451 VanDerWaalsContact O-CB 3.23Å; C447-A451 WeakPolarHBondContact O-CB 3.41Å; C447-A451 PolarHBondContact O-N 3.34Å; C447-V498 HydrophobicContact CB-CG1 4.24Å
448	V	96.2	Very high	92.6	Very high	17 Å²	17	44.4 Å²	44.4	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-71.7	-48.3	173.8	-174.9	0	0	0	0	110.1	V428 F443 G445 Y446 L450 A451 S452 I464	V428-V448 HydrophobicContact CG1-CG2 4.07Å; V428-V448 HydrophobicContact CG2-CG2 4.24Å; F443-V448 HydrophobicContact CB-CG2 3.87Å; G445-V448 WeakPolarHBondContact O-CB 3.14Å; G445-V448 PolarHBondContact O-N 3.04Å; G445-V448 VanDerWaalsContact O-N 3.16Å; Y446-V448 VanDerWaalsContact C-N 3.3Å; Y446-V448 PolarHBondContact O-N 2.8Å; V448-L450 PolarHBondContact O-N 2.92Å; V448-A451 PolarHBondContact O-N 3.06Å; V448-S452 PolarHBondContact O-N 2.89Å; V448-I464 HydrophobicContact CG1-CD1 4.08Å; V448-I464 HydrophobicContact CG2-CD1 4.37Å
449	D	95.8	Very high	92.6	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.203	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-44.8	173.9	-73.3	-9.9	0	0	0	111.2	G445 S452 E453 L784 K787 W788	G445-D449 PolarHBondContact O-N 3.4Å; D449-S452 WeakPolarHBondContact O-CB 3.48Å; D449-S452 PolarHBondContact O-N 3.27Å; D449-E453 PolarHBondContact O-N 3.25Å; D449-L784 HydrophobicContact CB-CD1 4.25Å; D449-L784 HydrophobicContact CB-CD2 3.72Å; D449-K787 IonicContact OD1-NZ 2.63Å; D449-K787 WeakPolarHBondContact OD2-CE 3.39Å; D449-K787 IonicContact OD2-NZ 3.2Å; D449-K787 PolarHBondContact OD2-NZ 3.41Å; D449-W788 PolarHBondContact OD2-NE1 3.17Å
450	L	95.6	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-44	177.7	179.1	61.6	0	0	0	112.3	Y446 V448 S452 E453 I454 V498 F517 L775 L781	Y446-L450 HydrophobicContact CE1-CD2 4.05Å; Y446-L450 VanDerWaalsContact O-CB 3.28Å; Y446-L450 WeakPolarHBondContact O-CB 3.36Å; Y446-L450 PolarHBondContact O-N 2.86Å; V448-L450 PolarHBondContact O-N 2.92Å; L450-S452 VanDerWaalsContact C-N 3.27Å; L450-S452 PolarHBondContact O-N 3.16Å; L450-E453 PolarHBondContact O-N 2.97Å; L450-I454 HydrophobicContact CD1-CD1 3.89Å; L450-I454 HydrophobicContact CD1-CG1 4.14Å; L450-I454 HydrophobicContact CG-CD1 3.82Å; L450-I454 HydrophobicContact CG-CG1 4.45Å; L450-I454 WeakPolarHBondContact O-CB 3.48Å; L450-I454 VanDerWaalsContact O-CG1 3.28Å; L450-I454 WeakPolarHBondContact O-CG1 3.5Å; L450-I454 PolarHBondContact O-N 3.1Å; L450-V498 HydrophobicContact CB-CG1 4.49Å; L450-V498 HydrophobicContact CD2-CG1 4.13Å; L450-V498 HydrophobicContact CG-CG1 4.24Å; L450-F517 HydrophobicContact CD2-CD1 4.14Å; L450-F517 HydrophobicContact CD2-CD2 3.87Å; L450-F517 HydrophobicContact CD2-CE1 4.27Å; L450-F517 HydrophobicContact CD2-CE2 4.04Å; L450-F517 HydrophobicContact CD2-CG 3.94Å; L450-F517 HydrophobicContact CD2-CZ 4.22Å; L450-L775 HydrophobicContact CD1-CD1 3.91Å; L450-L781 HydrophobicContact CD1-CD2 3.68Å
451	A	94.7	Very high	92.5	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-38.4	175.8	0	0	0	0	0	111.6	C447 V448 A455 Y462 V498	C447-A451 VanDerWaalsContact O-CB 3.23Å; C447-A451 WeakPolarHBondContact O-CB 3.41Å; C447-A451 PolarHBondContact O-N 3.34Å; V448-A451 PolarHBondContact O-N 3.06Å; A451-A455 WeakPolarHBondContact O-CB 3.09Å; A451-A455 PolarHBondContact O-N 2.81Å; A451-Y462 HydrophobicContact CB-CE2 4.23Å; A451-V498 HydrophobicContact CB-CB 4.35Å; A451-V498 HydrophobicContact CB-CG1 4.14Å; A451-V498 HydrophobicContact CB-CG2 4.4Å
452	S	94.8	Very high	92.6	Very high	54 Å²	54	37.6 Å²	37.6	38%	0.378	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-46.9	176.3	-159.9	0	0	0	0	112.5	V448 D449 L450 A455 K456	V448-S452 PolarHBondContact O-N 2.89Å; D449-S452 WeakPolarHBondContact O-CB 3.48Å; D449-S452 PolarHBondContact O-N 3.27Å; L450-S452 VanDerWaalsContact C-N 3.27Å; L450-S452 PolarHBondContact O-N 3.16Å; S452-A455 PolarHBondContact O-N 2.87Å; S452-K456 VanDerWaalsContact O-CB 3.28Å; S452-K456 WeakPolarHBondContact O-CB 3.42Å; S452-K456 PolarHBondContact O-N 3.48Å
453	E	94.4	Very high	92.7	Very high	44 Å²	44	40.1 Å²	40.1	21%	0.206	20%	0.204	C	C	.	.	H	α-helix	trans	-69.6	-38.2	178.5	-68	-67.7	163.7	0	0	112.2	D449 L450 K456 H457 L775 L780	D449-E453 PolarHBondContact O-N 3.25Å; L450-E453 PolarHBondContact O-N 2.97Å; E453-K456 PolarHBondContact O-N 3.32Å; E453-K456 IonicContact OE1-NZ 2.69Å; E453-K456 PolarHBondContact OE1-NZ 3.47Å; E453-K456 WeakPolarHBondContact OE2-CD 3.44Å; E453-K456 IonicContact OE2-NZ 3.75Å; E453-K456 PolarHBondContact OE2-NZ 3.18Å; E453-H457 WeakPolarHBondContact O-CB 3.43Å; E453-H457 PolarHBondContact O-CD2 2.84Å; E453-H457 VanDerWaalsContact O-CD2 3.27Å; E453-H457 PolarHBondContact O-N 3.28Å; E453-L775 HydrophobicContact CB-CD1 4.12Å; E453-L775 HydrophobicContact CB-CD2 4.16Å; E453-L780 HydrophobicContact CB-CD2 4.26Å; E453-L780 HydrophobicContact CG-CD2 3.72Å
454	I	93.1	Very high	92.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-47.4	171.3	-69.8	171	0	0	0	110.6	L450 K456 H457 I458 V756 V768 V772 L775	L450-I454 HydrophobicContact CD1-CD1 3.89Å; L450-I454 HydrophobicContact CD1-CG1 4.14Å; L450-I454 HydrophobicContact CG-CD1 3.82Å; L450-I454 HydrophobicContact CG-CG1 4.45Å; L450-I454 WeakPolarHBondContact O-CB 3.48Å; L450-I454 VanDerWaalsContact O-CG1 3.28Å; L450-I454 WeakPolarHBondContact O-CG1 3.5Å; L450-I454 PolarHBondContact O-N 3.1Å; I454-K456 VanDerWaalsContact C-N 3.35Å; I454-K456 PolarHBondContact O-N 2.95Å; I454-H457 PolarHBondContact O-N 2.82Å; I454-I458 HydrophobicContact CG2-CD1 3.64Å; I454-I458 WeakPolarHBondContact O-CG1 3.08Å; I454-I458 PolarHBondContact O-N 3.29Å; I454-V756 HydrophobicContact CD1-CG2 3.91Å; I454-V768 HydrophobicContact CG2-CG2 4.31Å; I454-V772 HydrophobicContact CD1-CG2 4.14Å; I454-L775 HydrophobicContact CG1-CD1 4.06Å
455	A	91.9	Very high	92.6	Very high	8 Å²	8	38.6 Å²	38.6	7%	0.066	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-40.8	179.7	0	0	0	0	0	112.6	A451 S452 I458 G459 I460 Y462	A451-A455 WeakPolarHBondContact O-CB 3.09Å; A451-A455 PolarHBondContact O-N 2.81Å; S452-A455 PolarHBondContact O-N 2.87Å; A455-I458 PolarHBondContact O-N 2.84Å; A455-G459 WeakPolarHBondContact O-CA 3Å; A455-G459 PolarHBondContact O-N 2.98Å; A455-I460 HydrophobicContact CB-CG1 4.16Å; A455-I460 PolarHBondContact O-N 3.47Å; A455-I460 VanDerWaalsContact O-N 3.14Å; A455-Y462 HydrophobicContact CB-CD1 3.36Å; A455-Y462 HydrophobicContact CB-CE1 3.58Å; A455-Y462 HydrophobicContact CB-CG 4.34Å
456	K	91.4	Very high	92.6	Very high	145 Å²	145	41.1 Å²	41.1	63%	0.63	22%	0.216	S	C	*	.	H	α-helix	trans	-65.7	-35.7	175.3	177.2	-174	166.2	-157.1	0	113	S452 E453 I454	S452-K456 VanDerWaalsContact O-CB 3.28Å; S452-K456 WeakPolarHBondContact O-CB 3.42Å; S452-K456 PolarHBondContact O-N 3.48Å; E453-K456 PolarHBondContact O-N 3.32Å; E453-K456 IonicContact OE1-NZ 2.69Å; E453-K456 PolarHBondContact OE1-NZ 3.47Å; E453-K456 WeakPolarHBondContact OE2-CD 3.44Å; E453-K456 IonicContact OE2-NZ 3.75Å; E453-K456 PolarHBondContact OE2-NZ 3.18Å; I454-K456 VanDerWaalsContact C-N 3.35Å; I454-K456 PolarHBondContact O-N 2.95Å
457	H	88	Confident	92.5	Very high	66 Å²	66	41.3 Å²	41.3	31%	0.306	22%	0.217	S	C	.	.	H	α-helix	trans	-73.2	-30.1	175.5	-92.4	-98.9	0	0	0	113.6	E453 I454 A771	E453-H457 WeakPolarHBondContact O-CB 3.43Å; E453-H457 PolarHBondContact O-CD2 2.84Å; E453-H457 VanDerWaalsContact O-CD2 3.27Å; E453-H457 PolarHBondContact O-N 3.28Å; I454-H457 PolarHBondContact O-N 2.82Å; H457-A771 HydrophobicContact CB-CB 4.02Å
458	I	88.3	Confident	92.1	Very high	44 Å²	44	46.7 Å²	46.7	23%	0.226	25%	0.252	C	S	.	.	H	α-helix	trans	-94.4	-23.7	-178.6	-59.5	172.6	0	0	0	112	I454 A455 I460 A767 V768 A771	I454-I458 HydrophobicContact CG2-CD1 3.64Å; I454-I458 WeakPolarHBondContact O-CG1 3.08Å; I454-I458 PolarHBondContact O-N 3.29Å; A455-I458 PolarHBondContact O-N 2.84Å; I458-I460 HydrophobicContact CB-CG1 4.19Å; I458-I460 HydrophobicContact CG2-CD1 4.35Å; I458-I460 HydrophobicContact CG2-CG1 4.19Å; I458-I460 HydrophobicContact CG2-CG2 3.92Å; I458-A767 HydrophobicContact CD1-CB 4.19Å; I458-A767 HydrophobicContact CG1-CB 4.2Å; I458-A767 HydrophobicContact CG2-CB 4.24Å; I458-V768 HydrophobicContact CD1-CB 4.35Å; I458-V768 HydrophobicContact CD1-CG2 3.57Å; I458-A771 HydrophobicContact CG1-CB 4.38Å
459	G	85.3	Confident	91.6	Very high	45 Å²	45	49 Å²	49	46%	0.464	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	27.2	-178.1	0	0	0	0	0	114.6	A455	A455-G459 WeakPolarHBondContact O-CA 3Å; A455-G459 PolarHBondContact O-N 2.98Å
460	I	85.1	Confident	91.2	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.097	28%	0.278	C	S	.	.			trans	-108.3	145	-173.9	53.6	168.6	0	0	0	113.8	I412 V417 A455 I458	I412-I460 HydrophobicContact CG2-CG2 4.28Å; V417-I460 HydrophobicContact CB-CD1 4.35Å; V417-I460 HydrophobicContact CG2-CB 4.32Å; V417-I460 HydrophobicContact CG2-CD1 3.94Å; A455-I460 HydrophobicContact CB-CG1 4.16Å; A455-I460 PolarHBondContact O-N 3.47Å; A455-I460 VanDerWaalsContact O-N 3.14Å; I458-I460 HydrophobicContact CB-CG1 4.19Å; I458-I460 HydrophobicContact CG2-CD1 4.35Å; I458-I460 HydrophobicContact CG2-CG1 4.19Å; I458-I460 HydrophobicContact CG2-CG2 3.92Å
461	K	89.3	Confident	90.7	Very high	105 Å²	105	54 Å²	54	46%	0.457	30%	0.298	S	S	.	.			trans	-78.7	141	164.7	-67.7	170.1	-175.2	168.4	0	109.2	N414 T416 V417	N414-K461 PolarHBondContact OD1-NZ 2.94Å; T416-K461 WeakPolarHBondContact CA-O 3.41Å; V417-K461 PolarHBondContact N-O 3.19Å
462	Y	92.1	Very high	90.4	Very high	43 Å²	43	55.6 Å²	55.6	17%	0.169	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.2	-179.1	72.4	-83.8	0	0	0	112.9	V417 V419 N440 A451 A455 I464	V417-Y462 CarbonylContact O-C 3.51Å; V417-Y462 VanDerWaalsContact O-CA 3.28Å; V417-Y462 WeakPolarHBondContact O-CA 3.44Å; V419-Y462 HydrophobicContact CG2-CD2 3.94Å; V419-Y462 HydrophobicContact CG2-CG 4.26Å; N440-Y462 WeakPolarHBondContact ND2-CE2 3.5Å; N440-Y462 PolarHBondContact ND2-O 3.14Å; A451-Y462 HydrophobicContact CB-CE2 4.23Å; A455-Y462 HydrophobicContact CB-CD1 3.36Å; A455-Y462 HydrophobicContact CB-CE1 3.58Å; A455-Y462 HydrophobicContact CB-CG 4.34Å; Y462-I464 HydrophobicContact CD2-CG1 4.18Å; Y462-I464 HydrophobicContact CE2-CD1 4.21Å; Y462-I464 HydrophobicContact CE2-CG1 3.94Å
463	K	93.4	Very high	90	Very high	126 Å²	126	53.3 Å²	53.3	55%	0.548	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.7	171.6	179.6	178.2	177.8	-179.5	0	109.6	T416 V417 V419 N440	T416-K463 HydrophobicContact CG2-CB 3.76Å; V417-K463 PolarHBondContact O-N 2.9Å; V419-K463 PolarHBondContact N-O 3.43Å; N440-K463 WeakPolarHBondContact OD1-CA 3.35Å
464	I	94.1	Very high	89.5	Confident	12 Å²	12	53.4 Å²	53.4	6%	0.062	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.1	173	-59.2	176.7	0	0	0	109	T421 N440 F443 V448 Y462 I466	T421-I464 HydrophobicContact CG2-CG2 3.67Å; N440-I464 HydrophobicContact CB-CD1 4.33Å; N440-I464 PolarHBondContact OD1-N 2.89Å; F443-I464 HydrophobicContact CB-CD1 4.4Å; F443-I464 HydrophobicContact CD2-CB 4.02Å; F443-I464 HydrophobicContact CD2-CD1 4.1Å; F443-I464 HydrophobicContact CD2-CG2 3.87Å; F443-I464 HydrophobicContact CE2-CB 4.07Å; F443-I464 HydrophobicContact CE2-CG2 3.88Å; F443-I464 HydrophobicContact CG-CG2 4.44Å; F443-I464 HydrophobicContact CZ-CG2 4.46Å; V448-I464 HydrophobicContact CG1-CD1 4.08Å; V448-I464 HydrophobicContact CG2-CD1 4.37Å; Y462-I464 HydrophobicContact CD2-CG1 4.18Å; Y462-I464 HydrophobicContact CE2-CD1 4.21Å; Y462-I464 HydrophobicContact CE2-CG1 3.94Å; I464-I466 HydrophobicContact CG2-CD1 4.4Å
465	A	93.8	Very high	89.1	Confident	31 Å²	31	59.3 Å²	59.3	26%	0.256	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.8	172.1	0	0	0	0	0	109.1	V418 V419 T420 T421	V418-A465 HydrophobicContact CG1-CB 3.99Å; V419-A465 PolarHBondContact O-N 3.1Å; T420-A465 WeakPolarHBondContact CA-O 3.21Å; T421-A465 PolarHBondContact N-O 2.95Å
466	I	94.4	Very high	88.6	Confident	53 Å²	53	61.6 Å²	61.6	27%	0.272	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.2	175.3	-57.2	-53.8	0	0	0	108.9	T421 L423 F443 I464 P468	T421-I466 HydrophobicContact CG2-CD1 3.7Å; T421-I466 WeakPolarHBondContact O-CA 3.47Å; L423-I466 HydrophobicContact CD1-CG2 4.13Å; L423-I466 HydrophobicContact CD2-CD1 3.93Å; L423-I466 HydrophobicContact CD2-CG1 4.41Å; L423-I466 HydrophobicContact CG-CD1 4.06Å; L423-I466 HydrophobicContact CG-CG1 4.31Å; L423-I466 HydrophobicContact CG-CG2 4Å; F443-I466 HydrophobicContact CD1-CD1 4.35Å; F443-I466 HydrophobicContact CE1-CD1 3.69Å; F443-I466 HydrophobicContact CE1-CG1 3.81Å; F443-I466 HydrophobicContact CZ-CD1 3.97Å; F443-I466 HydrophobicContact CZ-CG1 3.84Å; I464-I466 HydrophobicContact CG2-CD1 4.4Å; I466-P468 WeakPolarHBondContact O-CD 3.42Å
467	V	93.7	Very high	88	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.03	34%	0.336	C	S	.	.			trans	-59.5	122.9	177.4	66.4	0	0	0	0	111	T421 I422 D469 G470 M485 E488	T421-V467 PolarHBondContact O-N 3.38Å; I422-V467 HydrophobicContact CB-CG1 4.09Å; I422-V467 HydrophobicContact CD1-CG1 4.49Å; I422-V467 HydrophobicContact CG1-CG1 4.15Å; V467-D469 VanDerWaalsContact C-N 3.33Å; V467-D469 WeakPolarHBondContact CG2-OD1 3.41Å; V467-D469 PolarHBondContact O-N 2.86Å; V467-G470 PolarHBondContact O-N 3.31Å; V467-M485 HydrophobicContact CB-CG 3.85Å; V467-M485 HydrophobicContact CG1-CG 4.02Å; V467-M485 HydrophobicContact CG2-CG 4.05Å; V467-E488 HydrophobicContact CG2-CG 4.49Å
468	P	88.9	Confident	87.7	Confident	115 Å²	115	65.6 Å²	65.6	75%	0.747	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.3	-170.4	-26	35	0	0	0	115.7	I466 E488	I466-P468 WeakPolarHBondContact O-CD 3.42Å; P468-E488 WeakPolarHBondContact CD-OE1 3.43Å
469	D	85.9	Confident	87.2	Confident	67 Å²	67	67.1 Å²	67.1	36%	0.358	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.1	-176.7	74.4	-6.6	0	0	0	114	V467 K471 G484	V467-D469 VanDerWaalsContact C-N 3.33Å; V467-D469 WeakPolarHBondContact CG2-OD1 3.41Å; V467-D469 PolarHBondContact O-N 2.86Å; D469-K471 VanDerWaalsContact C-N 3.28Å; D469-K471 PolarHBondContact O-N 3.09Å; D469-K471 PolarHBondContact OD1-N 3.1Å; D469-G484 WeakPolarHBondContact OD1-CA 3.46Å; D469-G484 WeakPolarHBondContact OD2-CA 3.4Å; D469-G484 PolarHBondContact OD2-N 3.08Å
470	G	86.2	Confident	87	Confident	49 Å²	49	71.6 Å²	71.6	51%	0.505	38%	0.379	S	S	.	.			trans	64.1	23.9	-178.7	0	0	0	0	0	114.8	I422 V467	I422-G470 WeakPolarHBondContact CD1-O 3.29Å; V467-G470 PolarHBondContact O-N 3.31Å
471	K	86.8	Confident	86.9	Confident	93 Å²	93	73.2 Å²	73.2	40%	0.404	39%	0.387	S	S	.	.			trans	-117.6	147.9	-176.7	-66.2	169.2	-172.4	172.5	0	112.8	D469 G484 M485	D469-K471 VanDerWaalsContact C-N 3.28Å; D469-K471 PolarHBondContact O-N 3.09Å; D469-K471 PolarHBondContact OD1-N 3.1Å; K471-G484 WeakPolarHBondContact O-CA 3.38Å; K471-M485 PolarHBondContact O-N 3.03Å
472	Y	86.7	Confident	86.8	Confident	39 Å²	39	69 Å²	69	15%	0.153	37%	0.369	C	S	.	.			trans	-64.3	-41.8	172.4	-62	-83.9	0	0	0	112.9	I422 E424 M485 V486 P500	I422-Y472 HydrophobicContact CD1-CE1 4.46Å; I422-Y472 HydrophobicContact CD1-CE2 4.42Å; I422-Y472 HydrophobicContact CG2-CE1 4.12Å; E424-Y472 VanDerWaalsContact CD-OH 3.24Å; E424-Y472 PolarHBondContact OE1-OH 2.73Å; E424-Y472 PolarHBondContact OE2-OH 2.95Å; Y472-M485 HydrophobicContact CD1-CE 3.71Å; Y472-M485 HydrophobicContact CE1-CE 4.45Å; Y472-M485 HydrophobicContact CG-CE 4.39Å; Y472-M485 PolarHBondContact O-N 2.91Å; Y472-V486 PolarHBondContact O-N 2.93Å; Y472-P500 HydrophobicContact CE1-CG 4.26Å; Y472-P500 WeakPolarHBondContact CE1-O 3.42Å
473	G	86.4	Confident	86.7	Confident	6 Å²	6	69.5 Å²	69.5	6%	0.062	37%	0.374	C	S	.	.			trans	123.2	118.4	-177.9	0	0	0	0	0	112.4	N483 R507	G473-N483 WeakPolarHBondContact CA-O 3.4Å; G473-N483 WeakPolarHBondContact CA-OD1 3.44Å; G473-R507 PolarHBondContact O-NE 3.4Å; G473-R507 PolarHBondContact O-NH2 3.02Å
474	A	85.1	Confident	86.6	Confident	47 Å²	47	63.7 Å²	63.7	39%	0.388	35%	0.35	S	S	.	.			trans	-133.6	154	172.6	0	0	0	0	0	108.9	W482 N483	A474-W482 VanDerWaalsContact C-CE3 3.49Å; A474-N483 PolarHBondContact N-OD1 3.25Å; A474-N483 PolarHBondContact O-N 2.91Å; A474-N483 PolarHBondContact O-OD1 3.25Å
475	R	84.6	Confident	86.5	Confident	127 Å²	127	63.1 Å²	63.1	48%	0.479	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-88.7	124.1	175.7	-164.5	179.5	-171.2	178.7	2	109.5	K480 W482	R475-K480 PolarHBondContact NE-O 2.84Å; R475-W482 HydrophobicContact CB-CD2 3.94Å; R475-W482 HydrophobicContact CB-CE3 4.06Å; R475-W482 HydrophobicContact CB-CH2 4.04Å; R475-W482 HydrophobicContact CB-CZ2 3.89Å; R475-W482 HydrophobicContact CB-CZ3 4.12Å; R475-W482 HydrophobicContact CG-CD2 4.31Å; R475-W482 HydrophobicContact CG-CZ2 4.35Å
476	D	82.1	Confident	86.5	Confident	57 Å²	57	61.7 Å²	61.7	31%	0.305	34%	0.335	S	S	.	.			trans	-64	128.3	171.3	178.1	-17.6	0	0	0	109.8	E478 T479 K480 I481	D476-E478 VanDerWaalsContact C-N 3.33Å; D476-E478 PolarHBondContact O-N 2.92Å; D476-E478 PolarHBondContact OD1-N 2.72Å; D476-T479 VanDerWaalsContact CB-OG1 3.28Å; D476-T479 WeakPolarHBondContact CB-OG1 3.34Å; D476-T479 PolarHBondContact OD1-N 2.84Å; D476-T479 WeakPolarHBondContact OD2-CG2 3.45Å; D476-T479 PolarHBondContact OD2-OG1 3.13Å; D476-K480 WeakPolarHBondContact O-CA 3.34Å; D476-K480 PolarHBondContact O-N 3.17Å; D476-I481 PolarHBondContact N-O 2.8Å
477	P	78.5	Confident	86.3	Confident	118 Å²	118	59.4 Å²	59.4	77%	0.766	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.9	-179.4	27.5	-35.4	0	0	0	114
478	E	81.6	Confident	86.1	Confident	177 Å²	177	60.2 Å²	60.2	83%	0.827	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-58	-177.1	-66	-174.9	-175.9	0	0	110.8	D476 K480	D476-E478 VanDerWaalsContact C-N 3.33Å; D476-E478 PolarHBondContact O-N 2.92Å; D476-E478 PolarHBondContact OD1-N 2.72Å; E478-K480 VanDerWaalsContact C-N 3.31Å; E478-K480 PolarHBondContact O-N 2.96Å
479	T	78.2	Confident	86.3	Confident	76 Å²	76	54.9 Å²	54.9	47%	0.466	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-16.8	-176.3	68.5	0	0	0	0	113.2	D476 I481	D476-T479 VanDerWaalsContact CB-OG1 3.28Å; D476-T479 WeakPolarHBondContact CB-OG1 3.34Å; D476-T479 PolarHBondContact OD1-N 2.84Å; D476-T479 WeakPolarHBondContact OD2-CG2 3.45Å; D476-T479 PolarHBondContact OD2-OG1 3.13Å; T479-I481 PolarHBondContact O-N 2.85Å; T479-I481 VanDerWaalsContact O-N 3.11Å; T479-I481 WeakPolarHBondContact OG1-CB 3.47Å; T479-I481 PolarHBondContact OG1-N 2.95Å
480	K	79.7	Confident	86.4	Confident	138 Å²	138	54.2 Å²	54.2	60%	0.6	29%	0.291	S	S	*	.			trans	59.8	9.3	-172.5	-64.1	177.5	-179.2	173.2	0	114.7	R475 D476 E478	R475-K480 PolarHBondContact NE-O 2.84Å; D476-K480 WeakPolarHBondContact O-CA 3.34Å; D476-K480 PolarHBondContact O-N 3.17Å; E478-K480 VanDerWaalsContact C-N 3.31Å; E478-K480 PolarHBondContact O-N 2.96Å
481	I	83.8	Confident	86.4	Confident	54 Å²	54	54 Å²	54	28%	0.277	28%	0.275	S	S	.	.			trans	-75.9	143.1	178.4	-64.8	174.3	0	0	0	109.9	D476 T479 Y491	D476-I481 PolarHBondContact N-O 2.8Å; T479-I481 PolarHBondContact O-N 2.85Å; T479-I481 VanDerWaalsContact O-N 3.11Å; T479-I481 WeakPolarHBondContact OG1-CB 3.47Å; T479-I481 PolarHBondContact OG1-N 2.95Å; I481-Y491 HydrophobicContact CG2-CE2 4.32Å; I481-Y491 WeakPolarHBondContact CG2-OH 3.46Å
482	W	87.9	Confident	86.2	Confident	17 Å²	17	51 Å²	51	6%	0.064	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-91.6	129.6	171.7	-74.9	96.1	0	0	0	110.4	A474 R475 V486 Y491 V506 R507 V510	A474-W482 VanDerWaalsContact C-CE3 3.49Å; R475-W482 HydrophobicContact CB-CD2 3.94Å; R475-W482 HydrophobicContact CB-CE3 4.06Å; R475-W482 HydrophobicContact CB-CH2 4.04Å; R475-W482 HydrophobicContact CB-CZ2 3.89Å; R475-W482 HydrophobicContact CB-CZ3 4.12Å; R475-W482 HydrophobicContact CG-CD2 4.31Å; R475-W482 HydrophobicContact CG-CZ2 4.35Å; W482-V486 HydrophobicContact CD2-CG1 3.88Å; W482-V486 HydrophobicContact CE3-CB 4.1Å; W482-V486 HydrophobicContact CE3-CG1 3.58Å; W482-V486 HydrophobicContact CG-CG1 4.31Å; W482-V486 HydrophobicContact CZ3-CG1 4.02Å; W482-Y491 PolarHBondContact N-OH 3.49Å; W482-Y491 VanDerWaalsContact N-OH 3.16Å; W482-Y491 WeakPolarHBondContact O-CE2 3.39Å; W482-V506 HydrophobicContact CH2-CB 4.36Å; W482-V506 HydrophobicContact CH2-CG2 4.29Å; W482-V506 VanDerWaalsContact CH2-O 3.23Å; W482-V506 WeakPolarHBondContact CH2-O 3.45Å; W482-V506 WeakPolarHBondContact CZ2-O 3.19Å; W482-R507 HydrophobicContact CH2-CG 4.21Å; W482-R507 HydrophobicContact CZ3-CG 4.19Å; W482-V510 HydrophobicContact CD2-CG2 4.42Å; W482-V510 HydrophobicContact CH2-CG2 4.49Å; W482-V510 HydrophobicContact CZ2-CG1 4.36Å; W482-V510 HydrophobicContact CZ2-CG2 3.82Å
483	N	88.8	Confident	86.1	Confident	53 Å²	53	54.8 Å²	54.8	28%	0.283	29%	0.288	S	S	.	.			trans	-97.7	-175.1	170.2	63.5	32.7	0	0	0	111.5	G473 A474 G487	G473-N483 WeakPolarHBondContact CA-O 3.4Å; G473-N483 WeakPolarHBondContact CA-OD1 3.44Å; A474-N483 PolarHBondContact N-OD1 3.25Å; A474-N483 PolarHBondContact O-N 2.91Å; A474-N483 PolarHBondContact O-OD1 3.25Å; N483-G487 PolarHBondContact O-N 3.47Å; N483-G487 VanDerWaalsContact O-N 3.09Å
484	G	90.6	Very high	86.3	Confident	4 Å²	4	54.6 Å²	54.6	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	60.4	-163.5	175.6	0	0	0	0	0	115.7	D469 K471 V486 G487 E488	D469-G484 WeakPolarHBondContact OD1-CA 3.46Å; D469-G484 WeakPolarHBondContact OD2-CA 3.4Å; D469-G484 PolarHBondContact OD2-N 3.08Å; K471-G484 WeakPolarHBondContact O-CA 3.38Å; G484-V486 PolarHBondContact O-N 2.94Å; G484-G487 WeakPolarHBondContact O-CA 3.28Å; G484-G487 PolarHBondContact O-N 3.16Å; G484-E488 PolarHBondContact O-N 3.41Å; G484-E488 VanDerWaalsContact O-N 3.14Å
485	M	93.3	Very high	86.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.7	-35.7	179.7	-62.8	-178.3	-75.4	0	0	112.7	T420 I422 V467 K471 Y472 G487 E488 L489 A499 L501	T420-M485 HydrophobicContact CG2-CB 4.11Å; T420-M485 HydrophobicContact CG2-CG 4.31Å; I422-M485 HydrophobicContact CB-CE 4.03Å; I422-M485 HydrophobicContact CB-SD 4.13Å; I422-M485 HydrophobicContact CG2-CE 3.76Å; I422-M485 HydrophobicContact CG2-SD 4.25Å; V467-M485 HydrophobicContact CB-CG 3.85Å; V467-M485 HydrophobicContact CG1-CG 4.02Å; V467-M485 HydrophobicContact CG2-CG 4.05Å; K471-M485 PolarHBondContact O-N 3.03Å; Y472-M485 HydrophobicContact CD1-CE 3.71Å; Y472-M485 HydrophobicContact CE1-CE 4.45Å; Y472-M485 HydrophobicContact CG-CE 4.39Å; Y472-M485 PolarHBondContact O-N 2.91Å; M485-G487 PolarHBondContact O-N 2.92Å; M485-E488 PolarHBondContact O-N 2.72Å; M485-L489 PolarHBondContact O-N 3.16Å; M485-A499 HydrophobicContact CE-CB 3.7Å; M485-A499 HydrophobicContact SD-CB 3.5Å; M485-A499 VanDerWaalsContact SD-CB 3.5Å; M485-L501 HydrophobicContact CE-CD1 4.42Å
486	V	92.8	Very high	87	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-45.2	174.5	180	0	0	0	0	111.1	Y472 W482 G484 E488 L489 V490 L501 R507 V510 I511	Y472-V486 PolarHBondContact O-N 2.93Å; W482-V486 HydrophobicContact CD2-CG1 3.88Å; W482-V486 HydrophobicContact CE3-CB 4.1Å; W482-V486 HydrophobicContact CE3-CG1 3.58Å; W482-V486 HydrophobicContact CG-CG1 4.31Å; W482-V486 HydrophobicContact CZ3-CG1 4.02Å; G484-V486 PolarHBondContact O-N 2.94Å; V486-E488 VanDerWaalsContact C-N 3.31Å; V486-E488 PolarHBondContact O-N 3.5Å; V486-L489 PolarHBondContact O-N 3.05Å; V486-V490 HydrophobicContact CG1-CG2 4.28Å; V486-V490 VanDerWaalsContact O-CG2 3.3Å; V486-V490 WeakPolarHBondContact O-CG2 3.23Å; V486-V490 PolarHBondContact O-N 3.29Å; V486-L501 HydrophobicContact CG2-CD1 4.29Å; V486-L501 HydrophobicContact CG2-CD2 4.42Å; V486-R507 HydrophobicContact CG2-CG 4.13Å; V486-V510 HydrophobicContact CG1-CG2 4.03Å; V486-I511 HydrophobicContact CB-CD1 4.46Å; V486-I511 HydrophobicContact CG1-CD1 4.07Å; V486-I511 HydrophobicContact CG1-CG1 4.36Å; V486-I511 HydrophobicContact CG1-CG2 4.49Å; V486-I511 HydrophobicContact CG2-CD1 3.98Å
487	G	89.9	Confident	87.7	Confident	5 Å²	5	45 Å²	45	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-37.7	174.7	0	0	0	0	0	112.9	N483 G484 M485 L489 V490 Y491	N483-G487 PolarHBondContact O-N 3.47Å; N483-G487 VanDerWaalsContact O-N 3.09Å; G484-G487 WeakPolarHBondContact O-CA 3.28Å; G484-G487 PolarHBondContact O-N 3.16Å; M485-G487 PolarHBondContact O-N 2.92Å; G487-L489 VanDerWaalsContact C-N 3.34Å; G487-L489 PolarHBondContact O-N 3.42Å; G487-V490 PolarHBondContact O-N 2.74Å; G487-Y491 WeakPolarHBondContact O-CB 3.49Å; G487-Y491 WeakPolarHBondContact O-CD2 3.34Å; G487-Y491 PolarHBondContact O-N 3.15Å
488	E	91.4	Very high	88.5	Confident	23 Å²	23	39.6 Å²	39.6	11%	0.107	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-35.4	177.6	-62.1	-157	142.5	0	0	113.6	T420 V467 P468 G484 M485 V486 G492 K493 A494	T420-E488 VanDerWaalsContact CB-OE2 3.22Å; T420-E488 WeakPolarHBondContact CB-OE2 3.37Å; T420-E488 HydrophobicContact CG2-CB 4.48Å; T420-E488 PolarHBondContact OG1-OE2 3.44Å; V467-E488 HydrophobicContact CG2-CG 4.49Å; P468-E488 WeakPolarHBondContact CD-OE1 3.43Å; G484-E488 PolarHBondContact O-N 3.41Å; G484-E488 VanDerWaalsContact O-N 3.14Å; M485-E488 PolarHBondContact O-N 2.72Å; V486-E488 VanDerWaalsContact C-N 3.31Å; V486-E488 PolarHBondContact O-N 3.5Å; E488-G492 PolarHBondContact O-N 2.67Å; E488-K493 HydrophobicContact CB-CB 4.06Å; E488-K493 HydrophobicContact CG-CB 4.39Å; E488-K493 HydrophobicContact CG-CD 4.28Å; E488-K493 PolarHBondContact O-N 3.46Å; E488-A494 HydrophobicContact CB-CB 4.11Å; E488-A494 PolarHBondContact O-N 3.01Å; E488-A494 VanDerWaalsContact O-N 3.09Å
489	L	91.9	Very high	89.2	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-73.6	-44.6	173.5	-61.8	-178.2	0	0	0	112	T420 M485 V486 G487 Y491 G492 A494 A497 I511 A757 P759	T420-L489 HydrophobicContact CG2-CD2 4.31Å; M485-L489 PolarHBondContact O-N 3.16Å; V486-L489 PolarHBondContact O-N 3.05Å; G487-L489 VanDerWaalsContact C-N 3.34Å; G487-L489 PolarHBondContact O-N 3.42Å; L489-Y491 VanDerWaalsContact C-N 3.33Å; L489-Y491 PolarHBondContact O-N 2.72Å; L489-G492 PolarHBondContact O-N 3.09Å; L489-A494 HydrophobicContact CD2-CB 4.06Å; L489-A497 HydrophobicContact CD1-CB 3.84Å; L489-A497 HydrophobicContact CD2-CB 4.31Å; L489-A497 HydrophobicContact CG-CB 4.31Å; L489-I511 HydrophobicContact CB-CG2 3.77Å; L489-I511 HydrophobicContact CD1-CD1 4.31Å; L489-I511 HydrophobicContact CD1-CG2 4.18Å; L489-A757 HydrophobicContact CD1-CB 3.55Å; L489-P759 HydrophobicContact CB-CG 4.35Å; L489-P759 HydrophobicContact CD2-CG 4.3Å
490	V	89	Confident	89.9	Confident	54 Å²	54	27.5 Å²	27.5	33%	0.327	14%	0.14	S	C	.	.	H	α-helix	trans	-63.3	-37.7	-179.4	171.9	0	0	0	0	111.9	V486 G487 V510 I511	V486-V490 HydrophobicContact CG1-CG2 4.28Å; V486-V490 VanDerWaalsContact O-CG2 3.3Å; V486-V490 WeakPolarHBondContact O-CG2 3.23Å; V486-V490 PolarHBondContact O-N 3.29Å; G487-V490 PolarHBondContact O-N 2.74Å; V490-V510 HydrophobicContact CG2-CB 3.99Å; V490-V510 HydrophobicContact CG2-CG2 3.95Å; V490-I511 HydrophobicContact CG2-CG2 3.78Å
491	Y	85.3	Confident	90.6	Very high	43 Å²	43	21 Å²	21	17%	0.169	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	12.6	180	-51.3	-51.2	0	0	0	113.9	Q205 I481 W482 G487 L489 K493	Q205-Y491 HydrophobicContact CB-CD1 3.99Å; Q205-Y491 HydrophobicContact CB-CE1 3.79Å; Q205-Y491 HydrophobicContact CB-CG 4.47Å; Q205-Y491 HydrophobicContact CG-CD2 4.4Å; Q205-Y491 HydrophobicContact CG-CE1 4.31Å; Q205-Y491 HydrophobicContact CG-CE2 4.16Å; I481-Y491 HydrophobicContact CG2-CE2 4.32Å; I481-Y491 WeakPolarHBondContact CG2-OH 3.46Å; W482-Y491 PolarHBondContact N-OH 3.49Å; W482-Y491 VanDerWaalsContact N-OH 3.16Å; W482-Y491 WeakPolarHBondContact O-CE2 3.39Å; G487-Y491 WeakPolarHBondContact O-CB 3.49Å; G487-Y491 WeakPolarHBondContact O-CD2 3.34Å; G487-Y491 PolarHBondContact O-N 3.15Å; L489-Y491 VanDerWaalsContact C-N 3.33Å; L489-Y491 PolarHBondContact O-N 2.72Å; Y491-K493 VanDerWaalsContact C-N 3.28Å; Y491-K493 PolarHBondContact O-N 2.98Å
492	G	82.6	Confident	91	Very high	30 Å²	30	18.6 Å²	18.6	31%	0.309	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	20.1	173	0	0	0	0	0	115.9	E488 L489	E488-G492 PolarHBondContact O-N 2.67Å; L489-G492 PolarHBondContact O-N 3.09Å
493	K	85	Confident	91.3	Very high	120 Å²	120	19.8 Å²	19.8	52%	0.522	11%	0.107	S	C	.	.	S	Bend	trans	-74.2	-34	173.9	-62.5	-178.4	179.3	179.2	0	111.7	E488 Y491	E488-K493 HydrophobicContact CB-CB 4.06Å; E488-K493 HydrophobicContact CG-CB 4.39Å; E488-K493 HydrophobicContact CG-CD 4.28Å; E488-K493 PolarHBondContact O-N 3.46Å; Y491-K493 VanDerWaalsContact C-N 3.28Å; Y491-K493 PolarHBondContact O-N 2.98Å
494	A	89.6	Confident	91.4	Very high	1 Å²	1	19 Å²	19	1%	0.008	10%	0.103	C	C	.	.			trans	-125.1	154.8	175.4	0	0	0	0	0	110.8	V418 T420 E488 L489	V418-A494 HydrophobicContact CG1-CB 4.29Å; T420-A494 HydrophobicContact CG2-CB 3.6Å; E488-A494 HydrophobicContact CB-CB 4.11Å; E488-A494 PolarHBondContact O-N 3.01Å; E488-A494 VanDerWaalsContact O-N 3.09Å; L489-A494 HydrophobicContact CD2-CB 4.06Å
495	E	90.1	Very high	91.3	Very high	26 Å²	26	25 Å²	25	12%	0.121	13%	0.134	C	C	.	.	S	Bend	trans	-104.6	-18.8	-175.5	-71.7	173.6	176.5	0	0	112.6	K233 R415 V417 V418 P759	K233-E495 WeakPolarHBondContact CE-OE1 3.41Å; K233-E495 IonicContact NZ-OE1 2.66Å; K233-E495 PolarHBondContact NZ-OE1 2.83Å; R415-E495 IonicContact CZ-OE1 2.69Å; R415-E495 IonicContact NE-OE1 3.62Å; R415-E495 PolarHBondContact NE-OE1 2.93Å; R415-E495 IonicContact NE-OE2 2.71Å; R415-E495 IonicContact NH2-OE1 3.47Å; R415-E495 PolarHBondContact NH2-OE1 2.9Å; V417-E495 WeakPolarHBondContact CA-OE2 3.45Å; V417-E495 HydrophobicContact CG1-CB 3.91Å; V418-E495 PolarHBondContact O-N 3.38Å; E495-P759 WeakPolarHBondContact O-CD 3.26Å
496	I	94.4	Very high	91.1	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	147.9	177	-168.6	174.5	0	0	0	109	V417 V418 V419 T420 V498 V756 A757 T758 V768	V417-I496 HydrophobicContact CG1-CG2 3.73Å; V418-I496 PolarHBondContact O-N 3.48Å; V419-I496 WeakPolarHBondContact CA-O 3.28Å; V419-I496 HydrophobicContact CB-CG2 4.08Å; V419-I496 HydrophobicContact CG1-CG2 4.27Å; V419-I496 HydrophobicContact CG2-CG2 3.6Å; T420-I496 PolarHBondContact N-O 3.36Å; I496-V498 HydrophobicContact CD1-CG2 4.2Å; I496-V498 HydrophobicContact CG1-CG2 4.27Å; I496-V756 HydrophobicContact CD1-CG1 3.71Å; I496-V756 HydrophobicContact CG1-CG1 3.65Å; I496-A757 CarbonylContact C-O 3.43Å; I496-A757 WeakPolarHBondContact CA-O 3.46Å; I496-T758 HydrophobicContact CG1-CG2 4.12Å; I496-V768 HydrophobicContact CD1-CG1 4.36Å; I496-V768 HydrophobicContact CD1-CG2 3.64Å
497	A	96.8	Very high	91.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.2	171	0	0	0	0	0	110.2	T420 L489 V756 A757	T420-A497 HydrophobicContact CG2-CB 3.53Å; T420-A497 WeakPolarHBondContact O-CA 3.32Å; L489-A497 HydrophobicContact CD1-CB 3.84Å; L489-A497 HydrophobicContact CD2-CB 4.31Å; L489-A497 HydrophobicContact CG-CB 4.31Å; A497-V756 WeakPolarHBondContact O-CG1 3.47Å; A497-A757 HydrophobicContact CB-CB 4.28Å; A497-A757 PolarHBondContact N-O 2.94Å; A497-A757 PolarHBondContact O-N 3.27Å; A497-A757 VanDerWaalsContact O-N 3.14Å
498	V	96.5	Very high	91.2	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.024	17%	0.17	C	C	.	.			trans	-111.4	94.9	175.1	-175.3	0	0	0	0	107.5	V419 T420 T421 C447 L450 A451 I496 V756	V419-V498 HydrophobicContact CG1-CB 3.88Å; V419-V498 HydrophobicContact CG1-CG2 3.88Å; T420-V498 PolarHBondContact O-N 3.03Å; T421-V498 WeakPolarHBondContact CB-O 3.48Å; T421-V498 PolarHBondContact OG1-O 3Å; C447-V498 HydrophobicContact CB-CG1 4.24Å; L450-V498 HydrophobicContact CB-CG1 4.49Å; L450-V498 HydrophobicContact CD2-CG1 4.13Å; L450-V498 HydrophobicContact CG-CG1 4.24Å; A451-V498 HydrophobicContact CB-CB 4.35Å; A451-V498 HydrophobicContact CB-CG1 4.14Å; A451-V498 HydrophobicContact CB-CG2 4.4Å; I496-V498 HydrophobicContact CD1-CG2 4.2Å; I496-V498 HydrophobicContact CG1-CG2 4.27Å; V498-V756 HydrophobicContact CG2-CG1 3.95Å
499	A	95.3	Very high	91.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-157.1	167.4	-169.9	0	0	0	0	0	110.4	I422 M485 L501	I422-A499 HydrophobicContact CG2-CB 4.48Å; M485-A499 HydrophobicContact CE-CB 3.7Å; M485-A499 HydrophobicContact SD-CB 3.5Å; M485-A499 VanDerWaalsContact SD-CB 3.5Å; A499-L501 PolarHBondContact O-N 3.4Å
500	P	93.8	Very high	91.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.			trans	-69.2	64.7	167	28.8	-34.8	0	0	0	111.7	I422 Y427 Y472 Y754	I422-P500 HydrophobicContact CG2-CG 4.37Å; Y427-P500 HydrophobicContact CD1-CB 3.95Å; Y427-P500 HydrophobicContact CD1-CG 4.13Å; Y427-P500 HydrophobicContact CD2-CB 3.99Å; Y427-P500 HydrophobicContact CD2-CG 3.67Å; Y427-P500 HydrophobicContact CE1-CB 3.92Å; Y427-P500 HydrophobicContact CE2-CB 3.96Å; Y427-P500 HydrophobicContact CE2-CG 4.12Å; Y427-P500 HydrophobicContact CG-CB 3.99Å; Y427-P500 HydrophobicContact CG-CG 3.68Å; Y472-P500 HydrophobicContact CE1-CG 4.26Å; Y472-P500 WeakPolarHBondContact CE1-O 3.42Å; P500-Y754 HydrophobicContact CB-CD1 4.24Å; P500-Y754 HydrophobicContact CB-CD2 4.1Å; P500-Y754 HydrophobicContact CB-CE1 3.83Å; P500-Y754 HydrophobicContact CB-CE2 3.68Å; P500-Y754 HydrophobicContact CB-CG 4.37Å; P500-Y754 WeakPolarHBondContact O-CE1 3.34Å
501	L	93.5	Very high	91.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.			trans	-98.7	105.5	-178.3	-173.4	65.3	0	0	0	110.4	M485 V486 A499 I503 I511 F513 G755 A757	M485-L501 HydrophobicContact CE-CD1 4.42Å; V486-L501 HydrophobicContact CG2-CD1 4.29Å; V486-L501 HydrophobicContact CG2-CD2 4.42Å; A499-L501 PolarHBondContact O-N 3.4Å; L501-I503 PolarHBondContact O-N 3.43Å; L501-I511 HydrophobicContact CD2-CD1 4.28Å; L501-F513 HydrophobicContact CD2-CE1 3.84Å; L501-F513 HydrophobicContact CD2-CZ 4.09Å; L501-F513 HydrophobicContact CG-CE1 4.06Å; L501-F513 HydrophobicContact CG-CZ 4.31Å; L501-G755 PolarHBondContact O-N 2.66Å; L501-A757 HydrophobicContact CD2-CB 3.8Å
502	T	93	Very high	91.8	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.025	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-59.4	127.7	177.5	-21.8	0	0	0	0	110.7	T504 R507 S676 E727 K752	T502-T504 PolarHBondContact O-N 3.49Å; T502-R507 PolarHBondContact O-NH1 3.31Å; T502-S676 PolarHBondContact OG1-OG 2.85Å; T502-E727 WeakPolarHBondContact CG2-OE1 3.38Å; T502-E727 PolarHBondContact OG1-OE1 2.85Å; T502-K752 HydrophobicContact CG2-CB 4.13Å; T502-K752 HydrophobicContact CG2-CD 3.87Å; T502-K752 HydrophobicContact CG2-CG 4.08Å
503	I	94.1	Very high	92.4	Very high	43 Å²	43	33.3 Å²	33.3	22%	0.221	17%	0.167	C	C	.	.			trans	-67	127.2	171.2	-54.8	172.9	0	0	0	108.3	L501 F513 P516 G753	L501-I503 PolarHBondContact O-N 3.43Å; I503-F513 HydrophobicContact CD1-CB 4.46Å; I503-F513 HydrophobicContact CG1-CB 4.35Å; I503-F513 HydrophobicContact CG1-CD1 3.77Å; I503-F513 HydrophobicContact CG1-CE1 4.13Å; I503-F513 HydrophobicContact CG1-CG 4.01Å; I503-F513 HydrophobicContact CG2-CD2 4.07Å; I503-F513 HydrophobicContact CG2-CE2 4.42Å; I503-F513 HydrophobicContact CG2-CG 4.2Å; I503-P516 HydrophobicContact CD1-CB 4.1Å; I503-G753 PolarHBondContact N-O 3.37Å; I503-G753 VanDerWaalsContact N-O 3.09Å
504	T	90.7	Very high	92.9	Very high	35 Å²	35	28 Å²	28	22%	0.215	15%	0.145	C	C	.	.			trans	-145.1	148.6	176.9	68.4	0	0	0	0	110.8	T502 V506 R507 E508	T502-T504 PolarHBondContact O-N 3.49Å; T504-V506 VanDerWaalsContact C-N 3.31Å; T504-V506 PolarHBondContact O-N 3.07Å; T504-R507 WeakPolarHBondContact O-CB 3.3Å; T504-R507 PolarHBondContact O-N 2.98Å; T504-R507 WeakPolarHBondContact OG1-CD 2.76Å; T504-R507 WeakPolarHBondContact OG1-CG 3.09Å; T504-E508 PolarHBondContact O-N 3.28Å
505	L	88.8	Confident	93.2	Very high	131 Å²	131	33.9 Å²	33.9	69%	0.686	17%	0.17	S	C	*	.	H	α-helix	trans	-49.1	-49	-178.8	-178.6	65.4	0	0	0	112.9	R507 E508 E509	L505-R507 PolarHBondContact O-N 3.06Å; L505-E508 PolarHBondContact O-N 3.34Å; L505-E509 PolarHBondContact O-N 2.91Å; L505-E509 VanDerWaalsContact O-N 3.1Å
506	V	89.8	Confident	93.4	Very high	48 Å²	48	35.5 Å²	35.5	29%	0.291	18%	0.183	S	C	.	.	H	α-helix	trans	-65.8	-20.9	-178.8	-62.6	0	0	0	0	113.9	W482 T504	W482-V506 HydrophobicContact CH2-CB 4.36Å; W482-V506 HydrophobicContact CH2-CG2 4.29Å; W482-V506 VanDerWaalsContact CH2-O 3.23Å; W482-V506 WeakPolarHBondContact CH2-O 3.45Å; W482-V506 WeakPolarHBondContact CZ2-O 3.19Å; T504-V506 VanDerWaalsContact C-N 3.31Å; T504-V506 PolarHBondContact O-N 3.07Å
507	R	92.1	Very high	93.5	Very high	18 Å²	18	35.7 Å²	35.7	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-86.8	-41.8	173.9	-70.9	176.2	175.8	160.2	-4.5	110.5	G473 W482 V486 T502 T504 L505 E509 V510 I511 F513	G473-R507 PolarHBondContact O-NE 3.4Å; G473-R507 PolarHBondContact O-NH2 3.02Å; W482-R507 HydrophobicContact CH2-CG 4.21Å; W482-R507 HydrophobicContact CZ3-CG 4.19Å; V486-R507 HydrophobicContact CG2-CG 4.13Å; T502-R507 PolarHBondContact O-NH1 3.31Å; T504-R507 WeakPolarHBondContact O-CB 3.3Å; T504-R507 PolarHBondContact O-N 2.98Å; T504-R507 WeakPolarHBondContact OG1-CD 2.76Å; T504-R507 WeakPolarHBondContact OG1-CG 3.09Å; L505-R507 PolarHBondContact O-N 3.06Å; R507-E509 PolarHBondContact O-N 3.25Å; R507-V510 VanDerWaalsContact O-CG2 3.28Å; R507-V510 WeakPolarHBondContact O-CG2 3.37Å; R507-V510 PolarHBondContact O-N 2.91Å; R507-I511 HydrophobicContact CB-CD1 4.29Å; R507-I511 HydrophobicContact CB-CG1 4.28Å; R507-I511 WeakPolarHBondContact O-CG1 3.4Å; R507-I511 PolarHBondContact O-N 3.3Å; R507-F513 HydrophobicContact CB-CE2 3.71Å; R507-F513 HydrophobicContact CB-CZ 3.95Å
508	E	91.3	Very high	93.3	Very high	95 Å²	95	36.4 Å²	36.4	44%	0.444	19%	0.187	S	C	.	.	H	α-helix	trans	-63.6	-23.2	178.9	-163.1	164.2	-171.1	0	0	113	T504 L505 V510 I511 F513	T504-E508 PolarHBondContact O-N 3.28Å; L505-E508 PolarHBondContact O-N 3.34Å; E508-V510 VanDerWaalsContact C-N 3.26Å; E508-V510 PolarHBondContact O-N 2.93Å; E508-I511 WeakPolarHBondContact CA-O 3.27Å; E508-F513 HydrophobicContact CB-CD2 4.36Å
509	E	90.1	Very high	93.2	Very high	105 Å²	105	41.1 Å²	41.1	49%	0.491	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-33	167.1	-76.4	172.1	-159.4	0	0	113.6	L505 R507 K760	L505-E509 PolarHBondContact O-N 2.91Å; L505-E509 VanDerWaalsContact O-N 3.1Å; R507-E509 PolarHBondContact O-N 3.25Å; E509-K760 PolarHBondContact O-NZ 3.1Å
510	V	90.9	Very high	93.1	Very high	38 Å²	38	41.4 Å²	41.4	23%	0.23	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-20.5	-169.3	-60.5	0	0	0	0	115.3	W482 V486 V490 R507 E508	W482-V510 HydrophobicContact CD2-CG2 4.42Å; W482-V510 HydrophobicContact CH2-CG2 4.49Å; W482-V510 HydrophobicContact CZ2-CG1 4.36Å; W482-V510 HydrophobicContact CZ2-CG2 3.82Å; V486-V510 HydrophobicContact CG1-CG2 4.03Å; V490-V510 HydrophobicContact CG2-CB 3.99Å; V490-V510 HydrophobicContact CG2-CG2 3.95Å; R507-V510 VanDerWaalsContact O-CG2 3.28Å; R507-V510 WeakPolarHBondContact O-CG2 3.37Å; R507-V510 PolarHBondContact O-N 2.91Å; E508-V510 VanDerWaalsContact C-N 3.26Å; E508-V510 PolarHBondContact O-N 2.93Å
511	I	95	Very high	93.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.5	177.4	49.9	164.2	0	0	0	110.3	V486 L489 V490 L501 R507 E508 F513 A757	V486-I511 HydrophobicContact CB-CD1 4.46Å; V486-I511 HydrophobicContact CG1-CD1 4.07Å; V486-I511 HydrophobicContact CG1-CG1 4.36Å; V486-I511 HydrophobicContact CG1-CG2 4.49Å; V486-I511 HydrophobicContact CG2-CD1 3.98Å; L489-I511 HydrophobicContact CB-CG2 3.77Å; L489-I511 HydrophobicContact CD1-CD1 4.31Å; L489-I511 HydrophobicContact CD1-CG2 4.18Å; V490-I511 HydrophobicContact CG2-CG2 3.78Å; L501-I511 HydrophobicContact CD2-CD1 4.28Å; R507-I511 HydrophobicContact CB-CD1 4.29Å; R507-I511 HydrophobicContact CB-CG1 4.28Å; R507-I511 WeakPolarHBondContact O-CG1 3.4Å; R507-I511 PolarHBondContact O-N 3.3Å; E508-I511 WeakPolarHBondContact CA-O 3.27Å; I511-F513 HydrophobicContact CD1-CE1 4.46Å; I511-F513 HydrophobicContact CD1-CE2 3.92Å; I511-F513 HydrophobicContact CD1-CZ 3.74Å; I511-F513 HydrophobicContact CG1-CE2 4.06Å; I511-F513 HydrophobicContact CG1-CZ 4.4Å; I511-A757 HydrophobicContact CD1-CB 3.88Å
512	D	95.1	Very high	93.1	Very high	14 Å²	14	41.4 Å²	41.4	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.2	178.8	-77.2	-26.6	0	0	0	110.9	A757 T758 G761 R765	D512-A757 WeakPolarHBondContact O-CA 3.21Å; D512-T758 PolarHBondContact N-O 3.21Å; D512-T758 PolarHBondContact O-N 3.13Å; D512-T758 PolarHBondContact O-OG1 2.95Å; D512-T758 VanDerWaalsContact O-OG1 3.1Å; D512-G761 PolarHBondContact OD2-N 3.44Å; D512-R765 HydrophobicContact CB-CG 4.21Å; D512-R765 IonicContact OD1-CZ 3.68Å; D512-R765 IonicContact OD1-NH1 3.25Å; D512-R765 PolarHBondContact OD1-NH1 2.93Å; D512-R765 WeakPolarHBondContact OD2-CD 3.38Å; D512-R765 IonicContact OD2-CZ 3.93Å; D512-R765 IonicContact OD2-NE 2.76Å; D512-R765 IonicContact OD2-NH1 3.6Å; D512-R765 PolarHBondContact OD2-NH1 3.4Å
513	F	95.8	Very high	93.2	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.057	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	151.2	175	-72.9	-86.1	0	0	0	112.9	L501 I503 R507 E508 I511 V756 A757	L501-F513 HydrophobicContact CD2-CE1 3.84Å; L501-F513 HydrophobicContact CD2-CZ 4.09Å; L501-F513 HydrophobicContact CG-CE1 4.06Å; L501-F513 HydrophobicContact CG-CZ 4.31Å; I503-F513 HydrophobicContact CD1-CB 4.46Å; I503-F513 HydrophobicContact CG1-CB 4.35Å; I503-F513 HydrophobicContact CG1-CD1 3.77Å; I503-F513 HydrophobicContact CG1-CE1 4.13Å; I503-F513 HydrophobicContact CG1-CG 4.01Å; I503-F513 HydrophobicContact CG2-CD2 4.07Å; I503-F513 HydrophobicContact CG2-CE2 4.42Å; I503-F513 HydrophobicContact CG2-CG 4.2Å; R507-F513 HydrophobicContact CB-CE2 3.71Å; R507-F513 HydrophobicContact CB-CZ 3.95Å; E508-F513 HydrophobicContact CB-CD2 4.36Å; I511-F513 HydrophobicContact CD1-CE1 4.46Å; I511-F513 HydrophobicContact CD1-CE2 3.92Å; I511-F513 HydrophobicContact CD1-CZ 3.74Å; I511-F513 HydrophobicContact CG1-CE2 4.06Å; I511-F513 HydrophobicContact CG1-CZ 4.4Å; F513-V756 WeakPolarHBondContact CA-O 3.39Å; F513-A757 HydrophobicContact CD1-CB 3.95Å; F513-A757 HydrophobicContact CE1-CB 3.84Å; F513-A757 HydrophobicContact CZ-CB 4.44Å
514	S	95.2	Very high	93.2	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.063	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-70.9	170.2	159.9	73.2	0	0	0	0	111.4	V756	S514-V756 PolarHBondContact N-O 3.47Å; S514-V756 PolarHBondContact OG-N 2.99Å
515	K	94.7	Very high	93.4	Very high	124 Å²	124	37.6 Å²	37.6	54%	0.539	20%	0.2	S	C	.	.	S	Bend	trans	-54	147.6	157.6	-67.1	-56.6	-179.4	-173	0	110.3	F517 N769 L773	K515-F517 PolarHBondContact O-N 3.09Å; K515-N769 WeakPolarHBondContact CG-OD1 3.36Å; K515-N769 PolarHBondContact N-OD1 3.5Å; K515-L773 HydrophobicContact CB-CD2 4.23Å; K515-L773 HydrophobicContact CG-CD2 4.19Å; K515-L773 HydrophobicContact CG-CG 4.5Å
516	P	95.8	Very high	93.6	Very high	60 Å²	60	31.8 Å²	31.8	39%	0.39	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-66.4	134.1	-175.6	26.2	-34.1	0	0	0	111	I503 Y754	I503-P516 HydrophobicContact CD1-CB 4.1Å; P516-Y754 CarbonylContact C-O 3.52Å; P516-Y754 WeakPolarHBondContact CA-O 3.32Å
517	F	94.9	Very high	93.7	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.039	17%	0.167	C	C	.	.	S	Bend	trans	-90.8	-14	176.7	66.6	-100.1	0	0	0	112.6	Y446 L450 K515 Y754 V756 V772 L781	Y446-F517 HydrophobicContact CD1-CE2 4.44Å; Y446-F517 AromaticContact CE1-CD2 3.83Å; Y446-F517 HydrophobicContact CE1-CD2 3.83Å; Y446-F517 AromaticContact CE1-CE2 3.62Å; Y446-F517 HydrophobicContact CE1-CE2 3.62Å; L450-F517 HydrophobicContact CD2-CD1 4.14Å; L450-F517 HydrophobicContact CD2-CD2 3.87Å; L450-F517 HydrophobicContact CD2-CE1 4.27Å; L450-F517 HydrophobicContact CD2-CE2 4.04Å; L450-F517 HydrophobicContact CD2-CG 3.94Å; L450-F517 HydrophobicContact CD2-CZ 4.22Å; K515-F517 PolarHBondContact O-N 3.09Å; F517-Y754 VanDerWaalsContact CD1-O 3.3Å; F517-Y754 WeakPolarHBondContact CD1-O 3.27Å; F517-Y754 HydrophobicContact CE2-CD2 4.28Å; F517-Y754 HydrophobicContact CZ-CD2 4.2Å; F517-Y754 HydrophobicContact CZ-CG 4.18Å; F517-Y754 PolarHBondContact N-O 3.41Å; F517-V756 HydrophobicContact CD1-CG2 4.04Å; F517-V756 HydrophobicContact CE1-CG2 4.33Å; F517-V772 HydrophobicContact CB-CG1 3.87Å; F517-L781 HydrophobicContact CB-CD1 4.05Å
518	M	94.1	Very high	93.4	Very high	15 Å²	15	35 Å²	35	7%	0.074	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	122.5	178.6	-174.9	173.7	-71.7	0	0	109.7	Y446 T729 G753 Y754 K785 W789	Y446-M518 HydrophobicContact CD1-CE 4.45Å; Y446-M518 HydrophobicContact CD2-CE 4.33Å; Y446-M518 HydrophobicContact CE1-CE 3.89Å; Y446-M518 HydrophobicContact CE2-CE 3.72Å; Y446-M518 VanDerWaalsContact CZ-CE 3.49Å; M518-T729 HydrophobicContact CG-CG2 4.04Å; M518-T729 HydrophobicContact SD-CG2 3.45Å; M518-T729 WeakPolarHBondContact SD-CG2 3.43Å; M518-G753 WeakPolarHBondContact O-CA 3.41Å; M518-Y754 HydrophobicContact CB-CD2 4.32Å; M518-Y754 PolarHBondContact O-N 2.76Å; M518-Y754 HydrophobicContact SD-CD2 4.34Å; M518-Y754 HydrophobicContact SD-CE2 4.47Å; M518-K785 HydrophobicContact CE-CB 4.4Å; M518-K785 HydrophobicContact CE-CG 4.22Å; M518-W789 HydrophobicContact CE-CH2 4.19Å; M518-W789 HydrophobicContact CE-CZ3 4.32Å; M518-W789 HydrophobicContact SD-CH2 4.49Å
519	S	93.1	Very high	92.9	Very high	102 Å²	102	32.2 Å²	32.2	71%	0.713	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	140	174.3	-61.4	0	0	0	0	110.9
520	L	93.3	Very high	91.9	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	178.7	-175.2	63.2	96.1	0	0	0	111	E727 T729 K752 Y754	L520-E727 HydrophobicContact CD1-CB 4.03Å; L520-E727 HydrophobicContact CD1-CG 3.81Å; L520-T729 HydrophobicContact CB-CG2 3.84Å; L520-T729 HydrophobicContact CD2-CG2 4.27Å; L520-K752 HydrophobicContact CD1-CB 3.66Å; L520-K752 HydrophobicContact CD1-CD 4.33Å; L520-K752 HydrophobicContact CG-CB 4.16Å; L520-K752 PolarHBondContact N-O 3.22Å; L520-K752 CarbonylContact O-C 3.58Å; L520-K752 WeakPolarHBondContact O-CA 3.46Å; L520-K752 PolarHBondContact O-N 3.34Å; L520-Y754 HydrophobicContact CD2-CD1 3.64Å; L520-Y754 HydrophobicContact CD2-CD2 3.51Å; L520-Y754 HydrophobicContact CD2-CE1 3.47Å; L520-Y754 VanDerWaalsContact CD2-CE1 3.47Å; L520-Y754 HydrophobicContact CD2-CE2 3.31Å; L520-Y754 HydrophobicContact CD2-CG 3.66Å
521	G	93.6	Very high	90.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.			trans	-158.4	176.7	165.5	0	0	0	0	0	110.8	E727 S728 N748 D750	G521-E727 CarbonylContact O-C 3.57Å; G521-E727 WeakPolarHBondContact O-CA 3.47Å; G521-S728 PolarHBondContact N-OG 3.42Å; G521-S728 WeakPolarHBondContact O-CB 3.5Å; G521-S728 PolarHBondContact O-N 3.27Å; G521-N748 PolarHBondContact N-ND2 3.49Å; G521-N748 VanDerWaalsContact N-ND2 3.16Å; G521-D750 WeakPolarHBondContact CA-O 3.42Å; G521-D750 WeakPolarHBondContact CA-OD1 3.34Å
522	I	94.1	Very high	88.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	139.7	168.2	-51.4	162.1	0	0	0	107.4	T677 F680 F681 L725 N748 L749 D750	I522-T677 HydrophobicContact CD1-CG2 3.89Å; I522-T677 HydrophobicContact CG1-CG2 3.95Å; I522-T677 HydrophobicContact CG2-CG2 3.79Å; I522-F680 HydrophobicContact CD1-CB 4.28Å; I522-F680 HydrophobicContact CD1-CD1 3.29Å; I522-F680 HydrophobicContact CD1-CD2 4.36Å; I522-F680 HydrophobicContact CD1-CE1 3.58Å; I522-F680 HydrophobicContact CD1-CG 3.73Å; I522-F680 HydrophobicContact CD1-CZ 4.21Å; I522-F681 HydrophobicContact CD1-CE2 4.23Å; I522-F681 HydrophobicContact CG2-CE2 4.48Å; I522-L725 HydrophobicContact CG2-CB 4.3Å; I522-N748 CarbonylContact O-C 3.57Å; I522-N748 VanDerWaalsContact O-CA 3.26Å; I522-N748 WeakPolarHBondContact O-CA 3.39Å; I522-L749 HydrophobicContact CB-CB 4.29Å; I522-L749 HydrophobicContact CB-CD1 3.95Å; I522-L749 HydrophobicContact CG2-CD1 3.78Å; I522-L749 WeakPolarHBondContact O-CD1 3.31Å; I522-L749 PolarHBondContact O-N 3.27Å; I522-D750 WeakPolarHBondContact CD1-OD2 3.18Å; I522-D750 PolarHBondContact N-OD1 2.93Å
523	S	94.6	Very high	87.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.5	178.4	68.9	0	0	0	0	110.4	L726 S728 N731	S523-L726 PolarHBondContact N-O 2.9Å; S523-L726 PolarHBondContact O-N 2.89Å; S523-L726 PolarHBondContact OG-O 2.9Å; S523-S728 WeakPolarHBondContact OG-CA 3.43Å; S523-N731 WeakPolarHBondContact OG-CB 3.34Å; S523-N731 PolarHBondContact OG-ND2 3.07Å
524	I	94.9	Very high	85.7	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.5	178.8	-51.1	170	0	0	0	108.3	I526 A658 L661 A723 L725 N731 K744 V745 L749	I524-I526 HydrophobicContact CG2-CG2 4.03Å; I524-A658 HydrophobicContact CD1-CB 4.17Å; I524-L661 HydrophobicContact CD1-CD1 3.9Å; I524-L661 HydrophobicContact CG1-CD1 4.27Å; I524-L661 HydrophobicContact CG2-CD1 3.93Å; I524-A723 HydrophobicContact CG2-CB 4.13Å; I524-L725 HydrophobicContact CB-CD2 4.34Å; I524-L725 HydrophobicContact CG1-CD2 3.79Å; I524-L725 HydrophobicContact CG2-CD2 4.42Å; I524-N731 VanDerWaalsContact C-ND2 3.33Å; I524-N731 PolarHBondContact O-ND2 3.01Å; I524-K744 WeakPolarHBondContact O-CA 3.44Å; I524-V745 HydrophobicContact CB-CG2 3.72Å; I524-V745 HydrophobicContact CG2-CG2 3.65Å; I524-V745 PolarHBondContact O-N 3.01Å; I524-V745 VanDerWaalsContact O-N 3.08Å; I524-L749 HydrophobicContact CG1-CD1 4.24Å
525	M	94.3	Very high	84.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.2	167.4	178.5	-175.8	-74.9	0	0	109.4	V712 V715 A723 F724 L726 N731 I734 T742	M525-V712 HydrophobicContact CE-CG2 4.15Å; M525-V712 HydrophobicContact SD-CG2 3.96Å; M525-V715 HydrophobicContact CG-CG1 4.45Å; M525-A723 CarbonylContact O-C 3.13Å; M525-A723 WeakPolarHBondContact O-CA 3.3Å; M525-F724 PolarHBondContact N-O 3.48Å; M525-F724 PolarHBondContact O-N 2.88Å; M525-L726 HydrophobicContact CB-CD2 3.58Å; M525-L726 HydrophobicContact CE-CD1 4Å; M525-L726 HydrophobicContact CE-CD2 4.12Å; M525-N731 WeakPolarHBondContact CB-OD1 3.2Å; M525-N731 HydrophobicContact CE-CB 4.36Å; M525-N731 VanDerWaalsContact CE-OD1 3.28Å; M525-N731 WeakPolarHBondContact CE-OD1 3.48Å; M525-I734 HydrophobicContact CE-CB 3.65Å; M525-I734 HydrophobicContact CE-CG1 4.26Å; M525-I734 HydrophobicContact CE-CG2 3.55Å; M525-I734 HydrophobicContact SD-CG2 4.29Å; M525-T742 HydrophobicContact CG-CG2 4.16Å; M525-T742 HydrophobicContact SD-CG2 3.87Å
526	I	93.3	Very high	83.5	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.046	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	166.6	168.4	65.1	169.2	0	0	0	110.4	I524 I655 V715 A723 T742 M743 V745	I524-I526 HydrophobicContact CG2-CG2 4.03Å; I526-I655 HydrophobicContact CG2-CD1 4.26Å; I526-V715 VanDerWaalsContact C-CG1 3.49Å; I526-A723 HydrophobicContact CG2-CB 3.91Å; I526-T742 WeakPolarHBondContact O-CA 3.36Å; I526-M743 HydrophobicContact CD1-CG 4.18Å; I526-M743 HydrophobicContact CD1-SD 4.22Å; I526-M743 HydrophobicContact CG1-CG 3.64Å; I526-M743 HydrophobicContact CG1-SD 4.32Å; I526-M743 PolarHBondContact N-O 2.74Å; I526-M743 VanDerWaalsContact N-O 3.13Å; I526-M743 PolarHBondContact O-N 2.91Å; I526-V745 HydrophobicContact CD1-CG1 3.55Å; I526-V745 HydrophobicContact CD1-CG2 4.28Å; I526-V745 HydrophobicContact CG1-CG1 3.86Å; I526-V745 HydrophobicContact CG1-CG2 4.24Å; I526-V745 HydrophobicContact CG2-CG2 4.05Å
527	K	91.1	Very high	82.6	Confident	55 Å²	55	52.9 Å²	52.9	24%	0.239	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.5	166.7	-167.4	174	-172.3	159.7	0	108.6	V715 R716 D741	K527-V715 HydrophobicContact CB-CG1 4.11Å; K527-V715 VanDerWaalsContact N-CG1 3.29Å; K527-R716 PolarHBondContact NZ-O 3.35Å; K527-D741 CarbonylContact C-O 3.58Å; K527-D741 WeakPolarHBondContact CA-O 3.19Å; K527-D741 VanDerWaalsContact CG-O 3.25Å; K527-D741 WeakPolarHBondContact CG-O 3.46Å; K527-D741 IonicContact NZ-OD2 3.95Å
528	K	87	Confident	81.8	Confident	79 Å²	79	52.8 Å²	52.8	34%	0.343	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-58	124	175	-169.7	168.1	-172.1	162.6	0	109.1	Q530 D741 M743	K528-Q530 PolarHBondContact O-N 3.47Å; K528-D741 PolarHBondContact N-O 2.95Å; K528-M743 HydrophobicContact CB-CB 4.43Å; K528-M743 HydrophobicContact CB-CG 4.33Å; K528-M743 HydrophobicContact CB-SD 4.34Å; K528-M743 HydrophobicContact CG-SD 4.13Å
529	P	80.1	Confident	81.1	Confident	36 Å²	36	53.7 Å²	53.7	23%	0.234	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64	138.1	179.4	26.7	-32.5	0	0	0	109.1	M651 M743	P529-M651 HydrophobicContact CG-CB 4.45Å; P529-M743 WeakPolarHBondContact CD-SD 3.32Å
530	Q	69.3	Low	80.7	Confident	177 Å²	177	51.9 Å²	51.9	83%	0.827	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-71.7	147.2	167.7	-64.9	-173.3	-49.2	0	0	108.3	K528 S532	K528-Q530 PolarHBondContact O-N 3.47Å; Q530-S532 PolarHBondContact O-N 3.15Å
531	K	65.9	Low	80.3	Confident	95 Å²	95	55.8 Å²	55.8	41%	0.413	29%	0.291	S	S	.	.			trans	-50.9	115.2	173.4	-57	-173.5	-167.2	174.4	0	107.5	K533 E649 M651 D801	K531-K533 PolarHBondContact O-N 2.95Å; K531-E649 HydrophobicContact CD-CB 4.17Å; K531-E649 WeakPolarHBondContact CD-OE2 3.39Å; K531-M651 HydrophobicContact CG-CG 4.32Å; K531-D801 IonicContact NZ-OD2 2.62Å; K531-D801 PolarHBondContact NZ-OD2 2.56Å
532	S	57.9	Low	80	Confident	88 Å²	88	56.4 Å²	56.4	62%	0.615	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-67.2	120.5	-173.6	48	0	0	0	0	108.3	Q530	Q530-S532 PolarHBondContact O-N 3.15Å
533	K	58.9	Low	79.7	Confident	177 Å²	177	57.1 Å²	57.1	77%	0.77	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-56.6	127.2	173.2	-67.1	-171.9	178.3	-172.5	0	108	K531	K531-K533 PolarHBondContact O-N 2.95Å
534	P	64.9	Low	79.4	Confident	36 Å²	36	59.4 Å²	59.4	23%	0.234	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-58.8	147.4	179.7	23.3	-32.7	0	0	0	110.6	N813	P534-N813 WeakPolarHBondContact CG-OD1 3.46Å
535	G	67.3	Low	79.2	Confident	46 Å²	46	67.1 Å²	67.1	47%	0.474	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-65.6	162.5	-179.4	0	0	0	0	0	112.3	F537 S538	G535-F537 PolarHBondContact O-N 3.44Å; G535-S538 VanDerWaalsContact O-CB 3.28Å; G535-S538 WeakPolarHBondContact O-CB 3.45Å; G535-S538 PolarHBondContact O-N 3.11Å; G535-S538 PolarHBondContact O-OG 3.15Å
536	V	75.7	Confident	79.1	Confident	63 Å²	63	73.1 Å²	73.1	38%	0.382	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.2	179.5	176.1	0	0	0	0	112.8	G816 Y819	V536-G816 VanDerWaalsContact O-CA 3.3Å; V536-G816 WeakPolarHBondContact O-CA 3.49Å; V536-G816 PolarHBondContact O-N 3.13Å; V536-Y819 HydrophobicContact CG1-CD2 3.65Å; V536-Y819 HydrophobicContact CG1-CE2 3.64Å
537	F	77.2	Confident	79	Confident	115 Å²	115	75.9 Å²	75.9	50%	0.504	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	16.9	178.9	-63	-67.9	0	0	0	114.3	G535 F539 L540 I820	G535-F537 PolarHBondContact O-N 3.44Å; F537-F539 HydrophobicContact CD1-CE1 4.02Å; F537-F539 HydrophobicContact CD1-CZ 4.14Å; F537-F539 PolarHBondContact O-N 2.9Å; F537-L540 HydrophobicContact CB-CD1 4.26Å; F537-L540 WeakPolarHBondContact O-CB 3.43Å; F537-L540 PolarHBondContact O-N 3.45Å; F537-I820 HydrophobicContact CE1-CD1 4.46Å
538	S	76.9	Confident	79	Confident	8 Å²	8	76.9 Å²	76.9	6%	0.056	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.5	-174.7	68	0	0	0	0	115.4	G535 L540 D541	G535-S538 VanDerWaalsContact O-CB 3.28Å; G535-S538 WeakPolarHBondContact O-CB 3.45Å; G535-S538 PolarHBondContact O-N 3.11Å; G535-S538 PolarHBondContact O-OG 3.15Å; S538-L540 PolarHBondContact O-N 2.98Å; S538-D541 WeakPolarHBondContact CA-OD2 3.49Å; S538-D541 WeakPolarHBondContact O-CB 3.39Å; S538-D541 PolarHBondContact O-N 3.49Å
539	F	79.8	Confident	79.3	Confident	33 Å²	33	76.5 Å²	76.5	15%	0.145	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.8	170.5	68.1	-90.9	0	0	0	112.4	F537 P542 Y638 V817 I820	F537-F539 HydrophobicContact CD1-CE1 4.02Å; F537-F539 HydrophobicContact CD1-CZ 4.14Å; F537-F539 PolarHBondContact O-N 2.9Å; F539-P542 WeakPolarHBondContact O-CD 3.37Å; F539-Y638 VanDerWaalsContact O-CE2 3.3Å; F539-Y638 WeakPolarHBondContact O-CE2 3.46Å; F539-Y638 PolarHBondContact O-OH 3.2Å; F539-Y638 VanDerWaalsContact O-OH 3.05Å; F539-V817 HydrophobicContact CD1-CG2 4Å; F539-V817 HydrophobicContact CE1-CG2 4.15Å; F539-V817 HydrophobicContact CG-CG2 4.27Å; F539-I820 HydrophobicContact CE2-CD1 4.44Å; F539-I820 HydrophobicContact CZ-CD1 3.68Å
540	L	85.8	Confident	79.9	Confident	64 Å²	64	78.7 Å²	78.7	34%	0.335	41%	0.408	S	S	.	.	S	Bend	trans	-84.2	-28.9	172.5	-61.9	178.7	0	0	0	112.5	F537 S538 P542 L543 W548	F537-L540 HydrophobicContact CB-CD1 4.26Å; F537-L540 WeakPolarHBondContact O-CB 3.43Å; F537-L540 PolarHBondContact O-N 3.45Å; S538-L540 PolarHBondContact O-N 2.98Å; L540-P542 VanDerWaalsContact C-N 3.34Å; L540-P542 WeakPolarHBondContact O-CD 3.25Å; L540-L543 PolarHBondContact O-N 2.96Å; L540-W548 HydrophobicContact CD2-CH2 4.17Å; L540-W548 HydrophobicContact CD2-CZ2 3.7Å; L540-W548 PolarHBondContact O-NE1 3.02Å; L540-W548 VanDerWaalsContact O-NE1 3.15Å
541	D	83.8	Confident	81	Confident	89 Å²	89	70.9 Å²	70.9	48%	0.476	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.3	-178.1	-57.1	-11.7	0	0	0	116.3	S538 L543 F645	S538-D541 WeakPolarHBondContact CA-OD2 3.49Å; S538-D541 WeakPolarHBondContact O-CB 3.39Å; S538-D541 PolarHBondContact O-N 3.49Å; D541-L543 PolarHBondContact O-N 3.32Å; D541-L543 VanDerWaalsContact O-N 3.13Å; D541-F645 HydrophobicContact CB-CE1 4.22Å; D541-F645 HydrophobicContact CB-CE2 4.23Å; D541-F645 HydrophobicContact CB-CZ 3.85Å
542	P	87	Confident	82.2	Confident	12 Å²	12	70 Å²	70	8%	0.078	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.4	177.6	-25.3	35.9	0	0	0	115.7	F539 L540 Y638 N641 L642	F539-P542 WeakPolarHBondContact O-CD 3.37Å; L540-P542 VanDerWaalsContact C-N 3.34Å; L540-P542 WeakPolarHBondContact O-CD 3.25Å; P542-Y638 HydrophobicContact CB-CD2 4.21Å; P542-Y638 HydrophobicContact CB-CE2 4.26Å; P542-Y638 HydrophobicContact CG-CE2 4.26Å; P542-N641 HydrophobicContact CB-CB 3.82Å; P542-N641 PolarHBondContact O-ND2 2.91Å; P542-L642 HydrophobicContact CB-CB 4.42Å; P542-L642 HydrophobicContact CG-CB 4.04Å; P542-L642 HydrophobicContact CG-CD1 3.83Å
543	L	88.4	Confident	83.9	Confident	15 Å²	15	72.2 Å²	72.2	8%	0.079	37%	0.373	C	S	.	.	S	Bend	trans	-128.1	133.4	172.2	-69.4	176.7	0	0	0	109.5	L540 D541 I547 W548 I551 Y638	L540-L543 PolarHBondContact O-N 2.96Å; D541-L543 PolarHBondContact O-N 3.32Å; D541-L543 VanDerWaalsContact O-N 3.13Å; L543-I547 HydrophobicContact CD1-CG2 4.49Å; L543-I547 HydrophobicContact CD2-CD1 4.13Å; L543-I547 HydrophobicContact CD2-CG2 4.36Å; L543-W548 HydrophobicContact CB-CZ2 4.49Å; L543-W548 HydrophobicContact CD1-CZ2 4.22Å; L543-W548 PolarHBondContact O-NE1 3.05Å; L543-I551 HydrophobicContact CD1-CD1 4.37Å; L543-Y638 HydrophobicContact CD1-CD2 4.05Å; L543-Y638 HydrophobicContact CG-CD2 4.17Å
544	A	89.2	Confident	85.4	Confident	49 Å²	49	65.4 Å²	65.4	41%	0.405	35%	0.349	S	S	.	.			trans	-62.1	150.9	177.6	0	0	0	0	0	111.6	E546 I547 W548	A544-E546 VanDerWaalsContact CB-OE2 3.3Å; A544-E546 WeakPolarHBondContact CB-OE2 3.38Å; A544-E546 PolarHBondContact O-N 3.42Å; A544-I547 HydrophobicContact CB-CD1 4.26Å; A544-I547 HydrophobicContact CB-CG1 4.33Å; A544-I547 WeakPolarHBondContact O-CB 3.27Å; A544-I547 PolarHBondContact O-N 2.99Å; A544-W548 PolarHBondContact O-N 3.19Å
545	Y	89.3	Confident	86.7	Confident	163 Å²	163	65.8 Å²	65.8	64%	0.639	35%	0.346	S	S	*	.	H	α-helix	trans	-57.3	-34.6	-175.8	175.8	-105.1	0	0	0	112.8	I547 W548 M549	Y545-I547 VanDerWaalsContact C-N 3.3Å; Y545-I547 PolarHBondContact O-N 3.17Å; Y545-W548 WeakPolarHBondContact O-CB 3.47Å; Y545-W548 PolarHBondContact O-N 3.36Å; Y545-M549 HydrophobicContact CD1-CG 4.41Å; Y545-M549 HydrophobicContact CE1-CG 3.91Å; Y545-M549 HydrophobicContact CE2-CG 4.38Å; Y545-M549 HydrophobicContact CE2-SD 4.45Å; Y545-M549 PolarHBondContact O-N 3.35Å; Y545-M549 VanDerWaalsContact O-N 3.1Å
546	E	92	Very high	87.9	Confident	126 Å²	126	67.6 Å²	67.6	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-38	175.8	-58.9	76.3	-169.7	0	0	111.7	A544 M549 C550	A544-E546 VanDerWaalsContact CB-OE2 3.3Å; A544-E546 WeakPolarHBondContact CB-OE2 3.38Å; A544-E546 PolarHBondContact O-N 3.42Å; E546-M549 PolarHBondContact O-N 3.26Å; E546-C550 PolarHBondContact O-N 3.46Å; E546-C550 PolarHBondContact O-SG 2.9Å
547	I	92.6	Very high	88.6	Confident	67 Å²	67	66.2 Å²	66.2	34%	0.344	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-42.2	178.5	-55.9	175.2	0	0	0	109.9	L543 A544 Y545 M549 C550 I551	L543-I547 HydrophobicContact CD1-CG2 4.49Å; L543-I547 HydrophobicContact CD2-CD1 4.13Å; L543-I547 HydrophobicContact CD2-CG2 4.36Å; A544-I547 HydrophobicContact CB-CD1 4.26Å; A544-I547 HydrophobicContact CB-CG1 4.33Å; A544-I547 WeakPolarHBondContact O-CB 3.27Å; A544-I547 PolarHBondContact O-N 2.99Å; Y545-I547 VanDerWaalsContact C-N 3.3Å; Y545-I547 PolarHBondContact O-N 3.17Å; I547-M549 VanDerWaalsContact C-N 3.33Å; I547-M549 PolarHBondContact O-N 3.3Å; I547-C550 PolarHBondContact O-N 3.18Å; I547-I551 HydrophobicContact CG2-CD1 3.97Å; I547-I551 HydrophobicContact CG2-CG1 4.42Å; I547-I551 WeakPolarHBondContact O-CG1 3.37Å; I547-I551 PolarHBondContact O-N 3.35Å
548	W	91.1	Very high	89.2	Confident	76 Å²	76	62.1 Å²	62.1	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-58.4	-43.8	174.7	-74.2	109.6	0	0	0	112.1	L540 L543 A544 Y545 I551 V552 Y638	L540-W548 HydrophobicContact CD2-CH2 4.17Å; L540-W548 HydrophobicContact CD2-CZ2 3.7Å; L540-W548 PolarHBondContact O-NE1 3.02Å; L540-W548 VanDerWaalsContact O-NE1 3.15Å; L543-W548 HydrophobicContact CB-CZ2 4.49Å; L543-W548 HydrophobicContact CD1-CZ2 4.22Å; L543-W548 PolarHBondContact O-NE1 3.05Å; A544-W548 PolarHBondContact O-N 3.19Å; Y545-W548 WeakPolarHBondContact O-CB 3.47Å; Y545-W548 PolarHBondContact O-N 3.36Å; W548-I551 HydrophobicContact CE3-CD1 4.49Å; W548-I551 PolarHBondContact O-N 3.38Å; W548-V552 WeakPolarHBondContact O-CG2 3.49Å; W548-V552 PolarHBondContact O-N 2.89Å; W548-V552 VanDerWaalsContact O-N 3.16Å; W548-Y638 HydrophobicContact CZ2-CE2 4.41Å
549	M	91.4	Very high	89.8	Confident	72 Å²	72	62 Å²	62	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-44.1	174.9	-68.2	-61.8	-66.2	0	0	112	Y545 E546 I547 I551 V552 F553	Y545-M549 HydrophobicContact CD1-CG 4.41Å; Y545-M549 HydrophobicContact CE1-CG 3.91Å; Y545-M549 HydrophobicContact CE2-CG 4.38Å; Y545-M549 HydrophobicContact CE2-SD 4.45Å; Y545-M549 PolarHBondContact O-N 3.35Å; Y545-M549 VanDerWaalsContact O-N 3.1Å; E546-M549 PolarHBondContact O-N 3.26Å; I547-M549 VanDerWaalsContact C-N 3.33Å; I547-M549 PolarHBondContact O-N 3.3Å; M549-I551 VanDerWaalsContact C-N 3.35Å; M549-I551 PolarHBondContact O-N 3.28Å; M549-V552 PolarHBondContact O-N 3.37Å; M549-F553 HydrophobicContact CB-CE2 4.44Å; M549-F553 HydrophobicContact CE-CE2 4.09Å; M549-F553 HydrophobicContact CE-CZ 4.11Å; M549-F553 WeakPolarHBondContact O-CD2 3.48Å; M549-F553 PolarHBondContact O-N 3.48Å
550	C	93.3	Very high	90.3	Very high	82 Å²	82	63.5 Å²	63.5	55%	0.554	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-38.7	175.4	-73.2	0	0	0	0	113	E546 I547 F553 A554	E546-C550 PolarHBondContact O-N 3.46Å; E546-C550 PolarHBondContact O-SG 2.9Å; I547-C550 PolarHBondContact O-N 3.18Å; C550-F553 PolarHBondContact O-N 3.4Å; C550-A554 VanDerWaalsContact O-CB 3.27Å; C550-A554 WeakPolarHBondContact O-CB 3.43Å; C550-A554 PolarHBondContact O-N 3.09Å
551	I	92.4	Very high	90.5	Very high	13 Å²	13	63.6 Å²	63.6	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-44	175.8	-70.5	164	0	0	0	110.7	L543 I547 W548 M549 A554 Y555 F606 F630 I634	L543-I551 HydrophobicContact CD1-CD1 4.37Å; I547-I551 HydrophobicContact CG2-CD1 3.97Å; I547-I551 HydrophobicContact CG2-CG1 4.42Å; I547-I551 WeakPolarHBondContact O-CG1 3.37Å; I547-I551 PolarHBondContact O-N 3.35Å; W548-I551 HydrophobicContact CE3-CD1 4.49Å; W548-I551 PolarHBondContact O-N 3.38Å; M549-I551 VanDerWaalsContact C-N 3.35Å; M549-I551 PolarHBondContact O-N 3.28Å; I551-A554 PolarHBondContact O-N 3.07Å; I551-Y555 VanDerWaalsContact O-CB 3.28Å; I551-Y555 WeakPolarHBondContact O-CB 3.36Å; I551-Y555 PolarHBondContact O-N 3.25Å; I551-F606 HydrophobicContact CG2-CE2 3.72Å; I551-F606 HydrophobicContact CG2-CZ 3.9Å; I551-F630 HydrophobicContact CG1-CZ 4.5Å; I551-I634 HydrophobicContact CD1-CG2 3.82Å
552	V	91.6	Very high	90.5	Very high	75 Å²	75	59.3 Å²	59.3	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-43.5	178	174	0	0	0	0	111.6	W548 M549 I556	W548-V552 WeakPolarHBondContact O-CG2 3.49Å; W548-V552 PolarHBondContact O-N 2.89Å; W548-V552 VanDerWaalsContact O-N 3.16Å; M549-V552 PolarHBondContact O-N 3.37Å; V552-I556 HydrophobicContact CG1-CD1 4.16Å; V552-I556 WeakPolarHBondContact O-CG1 3.44Å; V552-I556 PolarHBondContact O-N 2.94Å; V552-I556 VanDerWaalsContact O-N 3.16Å
553	F	92.5	Very high	90.4	Very high	136 Å²	136	61.4 Å²	61.4	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-66.3	-41.1	176	-68.3	-51.7	0	0	0	112.6	M549 C550 I556 G557	M549-F553 HydrophobicContact CB-CE2 4.44Å; M549-F553 HydrophobicContact CE-CE2 4.09Å; M549-F553 HydrophobicContact CE-CZ 4.11Å; M549-F553 WeakPolarHBondContact O-CD2 3.48Å; M549-F553 PolarHBondContact O-N 3.48Å; C550-F553 PolarHBondContact O-N 3.4Å; F553-I556 PolarHBondContact O-N 3.46Å; F553-G557 PolarHBondContact O-N 3.43Å
554	A	91.6	Very high	90.2	Very high	34 Å²	34	64.4 Å²	64.4	28%	0.281	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-42.4	176.7	0	0	0	0	0	111.9	C550 I551 G557 V558 W627 F630	C550-A554 VanDerWaalsContact O-CB 3.27Å; C550-A554 WeakPolarHBondContact O-CB 3.43Å; C550-A554 PolarHBondContact O-N 3.09Å; I551-A554 PolarHBondContact O-N 3.07Å; A554-G557 PolarHBondContact O-N 3.01Å; A554-V558 WeakPolarHBondContact O-CB 3.28Å; A554-V558 WeakPolarHBondContact O-CG2 2.97Å; A554-V558 PolarHBondContact O-N 3.12Å; A554-W627 HydrophobicContact CB-CZ3 4.19Å; A554-F630 HydrophobicContact CB-CE1 4.49Å; A554-F630 HydrophobicContact CB-CZ 4.49Å
555	Y	91.8	Very high	90	Very high	44 Å²	44	63.7 Å²	63.7	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-57	-51.7	174.8	164.5	-111.7	0	0	0	112.4	I551 G557 V558 S559 L599 S602 L603 W627	I551-Y555 VanDerWaalsContact O-CB 3.28Å; I551-Y555 WeakPolarHBondContact O-CB 3.36Å; I551-Y555 PolarHBondContact O-N 3.25Å; Y555-G557 PolarHBondContact O-N 3.23Å; Y555-V558 PolarHBondContact O-N 3.23Å; Y555-S559 WeakPolarHBondContact O-CB 3.49Å; Y555-S559 PolarHBondContact O-N 2.93Å; Y555-S559 PolarHBondContact O-OG 3.46Å; Y555-L599 HydrophobicContact CE1-CD1 4.35Å; Y555-L599 HydrophobicContact CE1-CG 4.36Å; Y555-L599 VanDerWaalsContact OH-CD2 3.25Å; Y555-L599 WeakPolarHBondContact OH-CD2 3.35Å; Y555-L599 WeakPolarHBondContact OH-CG 3.39Å; Y555-S602 WeakPolarHBondContact CD2-OG 3.44Å; Y555-S602 WeakPolarHBondContact CE2-OG 3.46Å; Y555-L603 HydrophobicContact CE2-CB 3.88Å; Y555-L603 HydrophobicContact CE2-CD1 4.25Å; Y555-W627 HydrophobicContact CD2-CZ2 4.28Å
556	I	91.7	Very high	89.4	Confident	83 Å²	83	55.9 Å²	55.9	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-43.8	177.6	-63.8	168.4	0	0	0	110.4	V552 F553 V558 S559 V560	V552-I556 HydrophobicContact CG1-CD1 4.16Å; V552-I556 WeakPolarHBondContact O-CG1 3.44Å; V552-I556 PolarHBondContact O-N 2.94Å; V552-I556 VanDerWaalsContact O-N 3.16Å; F553-I556 PolarHBondContact O-N 3.46Å; I556-V558 PolarHBondContact O-N 3.3Å; I556-S559 WeakPolarHBondContact O-CB 3.49Å; I556-S559 PolarHBondContact O-N 3.39Å; I556-V560 HydrophobicContact CG2-CG2 4.5Å; I556-V560 WeakPolarHBondContact O-CG2 3.34Å; I556-V560 PolarHBondContact O-N 3.31Å
557	G	91.4	Very high	88.6	Confident	34 Å²	34	55.6 Å²	55.6	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-47.1	177.9	0	0	0	0	0	112.7	F553 A554 Y555 V560 V561	F553-G557 PolarHBondContact O-N 3.43Å; A554-G557 PolarHBondContact O-N 3.01Å; Y555-G557 PolarHBondContact O-N 3.23Å; G557-V560 PolarHBondContact O-N 2.83Å; G557-V561 VanDerWaalsContact O-CG2 3.31Å; G557-V561 WeakPolarHBondContact O-CG2 3.35Å; G557-V561 PolarHBondContact O-N 2.02Å
558	V	90.6	Very high	87.6	Confident	29 Å²	29	60 Å²	60	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-39.8	177.5	169.1	0	0	0	0	111.7	A554 Y555 I556 V560 V561 L562 V623 W627	A554-V558 WeakPolarHBondContact O-CB 3.28Å; A554-V558 WeakPolarHBondContact O-CG2 2.97Å; A554-V558 PolarHBondContact O-N 3.12Å; Y555-V558 PolarHBondContact O-N 3.23Å; I556-V558 PolarHBondContact O-N 3.3Å; V558-V560 VanDerWaalsContact C-N 3.33Å; V558-V560 PolarHBondContact O-N 2.65Å; V558-V561 PolarHBondContact O-N 3.19Å; V558-L562 HydrophobicContact CG1-CD1 3.89Å; V558-L562 HydrophobicContact CG1-CG 4.48Å; V558-L562 WeakPolarHBondContact O-CB 3.34Å; V558-L562 PolarHBondContact O-N 3.33Å; V558-V623 HydrophobicContact CG1-CG1 4.22Å; V558-W627 HydrophobicContact CB-CD2 4.4Å; V558-W627 HydrophobicContact CB-CE3 4.21Å; V558-W627 HydrophobicContact CG1-CB 4.14Å; V558-W627 HydrophobicContact CG1-CD2 3.98Å; V558-W627 HydrophobicContact CG1-CE3 4.23Å; V558-W627 HydrophobicContact CG1-CG 3.95Å; V558-W627 HydrophobicContact CG2-CD2 4.33Å; V558-W627 HydrophobicContact CG2-CE3 3.74Å; V558-W627 HydrophobicContact CG2-CZ3 4.12Å
559	S	89.6	Confident	86.8	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-57.5	-44.7	173.2	-56.7	0	0	0	0	112	Y555 I556 F563 S598 S602	Y555-S559 WeakPolarHBondContact O-CB 3.49Å; Y555-S559 PolarHBondContact O-N 2.93Å; Y555-S559 PolarHBondContact O-OG 3.46Å; I556-S559 WeakPolarHBondContact O-CB 3.49Å; I556-S559 PolarHBondContact O-N 3.39Å; S559-F563 WeakPolarHBondContact O-CB 3.5Å; S559-F563 PolarHBondContact O-N 2.95Å; S559-S598 PolarHBondContact O-OG 3Å; S559-S602 PolarHBondContact OG-OG 3.07Å
560	V	89.4	Confident	85.5	Confident	64 Å²	64	57.8 Å²	57.8	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-70.6	-42.6	179.4	173.6	0	0	0	0	111.1	I556 G557 V558 F563 L564	I556-V560 HydrophobicContact CG2-CG2 4.5Å; I556-V560 WeakPolarHBondContact O-CG2 3.34Å; I556-V560 PolarHBondContact O-N 3.31Å; G557-V560 PolarHBondContact O-N 2.83Å; V558-V560 VanDerWaalsContact C-N 3.33Å; V558-V560 PolarHBondContact O-N 2.65Å; V560-F563 PolarHBondContact O-N 3.31Å; V560-L564 HydrophobicContact CG1-CD1 3.93Å; V560-L564 HydrophobicContact CG1-CG 4.34Å; V560-L564 VanDerWaalsContact O-CG 3.29Å; V560-L564 WeakPolarHBondContact O-CG 3.35Å; V560-L564 PolarHBondContact O-N 2.92Å
561	V	89	Confident	84	Confident	66 Å²	66	63.1 Å²	63.1	40%	0.4	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-44.7	177.3	170.7	0	0	0	0	111.2	G557 V558 L564 V565 V623	G557-V561 VanDerWaalsContact O-CG2 3.31Å; G557-V561 WeakPolarHBondContact O-CG2 3.35Å; G557-V561 PolarHBondContact O-N 2.02Å; V558-V561 PolarHBondContact O-N 3.19Å; V561-L564 PolarHBondContact O-N 3.25Å; V561-V565 HydrophobicContact CG1-CG2 4.29Å; V561-V565 WeakPolarHBondContact O-CB 3.15Å; V561-V565 VanDerWaalsContact O-CG2 3.27Å; V561-V565 WeakPolarHBondContact O-CG2 3.4Å; V561-V565 PolarHBondContact O-N 3.29Å; V561-V623 HydrophobicContact CG1-CG1 4.11Å; V561-V623 HydrophobicContact CG1-CG2 3.96Å
562	L	85.1	Confident	82.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.5	-48.7	173.8	-81.2	166.1	0	0	0	111.3	V558 L564 V565 S566 S598 F601 V623	V558-L562 HydrophobicContact CG1-CD1 3.89Å; V558-L562 HydrophobicContact CG1-CG 4.48Å; V558-L562 WeakPolarHBondContact O-CB 3.34Å; V558-L562 PolarHBondContact O-N 3.33Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-L564 PolarHBondContact O-N 2.9Å; L562-V565 PolarHBondContact O-N 3.14Å; L562-S566 WeakPolarHBondContact O-CB 3.3Å; L562-S566 PolarHBondContact O-N 3.45Å; L562-S566 PolarHBondContact O-OG 2.98Å; L562-S598 VanDerWaalsContact CB-OG 3.28Å; L562-S598 WeakPolarHBondContact CB-OG 3.28Å; L562-F601 HydrophobicContact CD1-CD1 3.73Å; L562-F601 HydrophobicContact CD1-CE1 3.91Å; L562-V623 HydrophobicContact CD1-CG1 4.43Å; L562-V623 HydrophobicContact CD2-CB 3.97Å; L562-V623 HydrophobicContact CD2-CG1 3.92Å; L562-V623 HydrophobicContact CG-CB 4.38Å; L562-V623 HydrophobicContact CG-CG1 3.75Å
563	F	85.3	Confident	81.4	Confident	55 Å²	55	64.9 Å²	64.9	24%	0.241	32%	0.321	C	S	.	.	H	α-helix	trans	-57.5	-43.3	178.2	170.2	-106.5	0	0	0	112.6	S559 V560 R567 I595 S598	S559-F563 WeakPolarHBondContact O-CB 3.5Å; S559-F563 PolarHBondContact O-N 2.95Å; V560-F563 PolarHBondContact O-N 3.31Å; F563-R567 WeakPolarHBondContact O-CB 3.21Å; F563-R567 PolarHBondContact O-N 3.43Å; F563-I595 HydrophobicContact CB-CG1 4.5Å; F563-I595 HydrophobicContact CD1-CD1 4.08Å; F563-I595 HydrophobicContact CD1-CG1 4.06Å; F563-I595 HydrophobicContact CD2-CB 3.99Å; F563-I595 HydrophobicContact CD2-CG1 4.1Å; F563-I595 HydrophobicContact CE1-CD1 3.99Å; F563-I595 HydrophobicContact CE1-CG1 4.3Å; F563-I595 HydrophobicContact CE2-CB 4.01Å; F563-I595 HydrophobicContact CE2-CG1 4.35Å; F563-I595 HydrophobicContact CG-CB 4.36Å; F563-I595 HydrophobicContact CG-CD1 4.47Å; F563-I595 HydrophobicContact CG-CG1 3.94Å; F563-I595 HydrophobicContact CZ-CB 4.39Å; F563-I595 HydrophobicContact CZ-CD1 4.31Å; F563-I595 HydrophobicContact CZ-CG1 4.44Å; F563-S598 PolarHBondContact N-OG 3.26Å
564	L	83.8	Confident	79.7	Confident	78 Å²	78	60.9 Å²	60.9	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-49.5	176.9	-68.9	171.4	0	0	0	111.5	V560 V561 L562 S566 R567 F568	V560-L564 HydrophobicContact CG1-CD1 3.93Å; V560-L564 HydrophobicContact CG1-CG 4.34Å; V560-L564 VanDerWaalsContact O-CG 3.29Å; V560-L564 WeakPolarHBondContact O-CG 3.35Å; V560-L564 PolarHBondContact O-N 2.92Å; V561-L564 PolarHBondContact O-N 3.25Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-L564 PolarHBondContact O-N 2.9Å; L564-S566 VanDerWaalsContact C-N 3.32Å; L564-S566 PolarHBondContact O-N 3.46Å; L564-R567 PolarHBondContact O-N 2.69Å; L564-R567 VanDerWaalsContact O-N 3.14Å; L564-F568 HydrophobicContact CB-CD2 4.49Å; L564-F568 HydrophobicContact CD2-CE2 4.21Å; L564-F568 WeakPolarHBondContact O-CD2 3.37Å; L564-F568 PolarHBondContact O-N 2.76Å
565	V	83.9	Confident	77.5	Confident	34 Å²	34	65.8 Å²	65.8	21%	0.206	33%	0.331	C	S	.	.	H	α-helix	trans	-59.2	-44.2	179.3	169.5	0	0	0	0	110.9	V561 L562 R567 F568 S569	V561-V565 HydrophobicContact CG1-CG2 4.29Å; V561-V565 WeakPolarHBondContact O-CB 3.15Å; V561-V565 VanDerWaalsContact O-CG2 3.27Å; V561-V565 WeakPolarHBondContact O-CG2 3.4Å; V561-V565 PolarHBondContact O-N 3.29Å; L562-V565 PolarHBondContact O-N 3.14Å; V565-R567 PolarHBondContact O-N 3.4Å; V565-F568 PolarHBondContact O-N 2.95Å; V565-S569 VanDerWaalsContact O-CB 3.23Å; V565-S569 WeakPolarHBondContact O-CB 3.34Å; V565-S569 PolarHBondContact O-N 3.04Å
566	S	76.6	Confident	75.3	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.9	-35.9	176.2	-67.6	0	0	0	0	113	L562 L564 E572 N591	L562-S566 WeakPolarHBondContact O-CB 3.3Å; L562-S566 PolarHBondContact O-N 3.45Å; L562-S566 PolarHBondContact O-OG 2.98Å; L564-S566 VanDerWaalsContact C-N 3.32Å; L564-S566 PolarHBondContact O-N 3.46Å; S566-E572 WeakPolarHBondContact CA-OE2 3.42Å; S566-E572 WeakPolarHBondContact CB-OE2 3.24Å; S566-E572 PolarHBondContact OG-OE2 2.8Å; S566-N591 PolarHBondContact O-ND2 3.49Å
567	R	75.2	Confident	72.9	Confident	119 Å²	119	76 Å²	76	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-71.2	-35.7	177.7	-169	64.1	-179.5	100.8	-8.1	112.7	F563 L564 V565 W573	F563-R567 WeakPolarHBondContact O-CB 3.21Å; F563-R567 PolarHBondContact O-N 3.43Å; L564-R567 PolarHBondContact O-N 2.69Å; L564-R567 VanDerWaalsContact O-N 3.14Å; V565-R567 PolarHBondContact O-N 3.4Å; R567-W573 PolarHBondContact O-NE1 2.81Å
568	F	73.4	Confident	70.6	Confident	161 Å²	161	80.3 Å²	80.3	71%	0.706	40%	0.401	S	S	*	.	H	α-helix	trans	-91	-21.7	-176.7	-73.9	-64.2	0	0	0	115	L564 V565 P570	L564-F568 HydrophobicContact CB-CD2 4.49Å; L564-F568 HydrophobicContact CD2-CE2 4.21Å; L564-F568 WeakPolarHBondContact O-CD2 3.37Å; L564-F568 PolarHBondContact O-N 2.76Å; V565-F568 PolarHBondContact O-N 2.95Å; F568-P570 WeakPolarHBondContact O-CD 3.35Å
569	S	72.5	Confident	68.2	Low	16 Å²	16	88.1 Å²	88.1	11%	0.112	44%	0.435	C	S	.	.			trans	-78.3	118	179.9	-164.6	0	0	0	0	111.4	V565 Y571 E572 S617	V565-S569 VanDerWaalsContact O-CB 3.23Å; V565-S569 WeakPolarHBondContact O-CB 3.34Å; V565-S569 PolarHBondContact O-N 3.04Å; S569-Y571 PolarHBondContact O-N 2.84Å; S569-E572 PolarHBondContact O-N 3.07Å; S569-S617 VanDerWaalsContact OG-CB 3.24Å; S569-S617 WeakPolarHBondContact OG-CB 3.46Å
570	P	64.7	Low	65.9	Low	85 Å²	85	95.5 Å²	95.5	55%	0.552	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-63.8	-24.2	179.7	-22	34.6	0	0	0	113.3	F568 E572 W573	F568-P570 WeakPolarHBondContact O-CD 3.35Å; P570-E572 PolarHBondContact O-N 2.86Å; P570-W573 PolarHBondContact O-N 2.89Å
571	Y	62.8	Low	63.8	Low	193 Å²	193	96.1 Å²	96.1	76%	0.757	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-76.6	-0.6	-178.6	-56.5	-74	0	0	0	114.5	S569	S569-Y571 PolarHBondContact O-N 2.84Å
572	E	63.2	Low	61.4	Low	15 Å²	15	102.6 Å²	102.6	7%	0.07	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-110.4	6	174.2	-82.1	178.3	-158.2	0	0	113.4	S566 S569 P570 R616 S617	S566-E572 WeakPolarHBondContact CA-OE2 3.42Å; S566-E572 WeakPolarHBondContact CB-OE2 3.24Å; S566-E572 PolarHBondContact OG-OE2 2.8Å; S569-E572 PolarHBondContact O-N 3.07Å; P570-E572 PolarHBondContact O-N 2.86Å; E572-R616 HydrophobicContact CG-CB 4.15Å; E572-R616 PolarHBondContact OE1-N 2.92Å; E572-S617 WeakPolarHBondContact OE1-CA 3.33Å; E572-S617 WeakPolarHBondContact OE1-CB 3.33Å; E572-S617 PolarHBondContact OE1-N 3.27Å; E572-S617 PolarHBondContact OE1-OG 3.29Å
573	W	65.2	Low	59.2	Low	110 Å²	110	112.4 Å²	112.4	42%	0.417	56%	0.562	S	S	.	*	S	Bend	trans	-89.5	125.8	172.3	-57.6	-6.9	0	0	0	109.4	R567 P570 T575 P589	R567-W573 PolarHBondContact O-NE1 2.81Å; P570-W573 PolarHBondContact O-N 2.89Å; W573-T575 PolarHBondContact O-N 3.27Å; W573-P589 HydrophobicContact CB-CB 4.46Å; W573-P589 HydrophobicContact CG-CB 4.38Å
574	H	57.3	Low	56.9	Low	53 Å²	53	112.6 Å²	112.6	25%	0.245	58%	0.579	C	S	.	*			trans	-73.5	105.2	169.8	-71.3	-72.2	0	0	0	109.6	E576 P590 E592 R616	H574-E576 PolarHBondContact O-N 2.87Å; H574-P590 HydrophobicContact CB-CB 4.17Å; H574-P590 HydrophobicContact CB-CG 4.06Å; H574-P590 PolarHBondContact CD2-O 3.03Å; H574-P590 PolarHBondContact N-O 3.39Å; H574-P590 WeakPolarHBondContact O-CD 3.29Å; H574-E592 IonicContact CD2-OE1 3.8Å; H574-E592 IonicContact CE1-OE1 3.58Å; H574-E592 IonicContact NE2-OE1 2.74Å; H574-E592 PolarHBondContact NE2-OE1 2.69Å; H574-R616 PolarHBondContact CE1-NH1 3Å; H574-R616 VanDerWaalsContact CE1-NH1 3.3Å; H574-R616 PolarHBondContact ND1-NH1 3.36Å
575	T	46	Very low	54.9	Low	136 Å²	136	115.2 Å²	115.2	83%	0.834	60%	0.601	S	S	*	*			trans	-80.9	92.3	154	44	0	0	0	0	108	W573	W573-T575 PolarHBondContact O-N 3.27Å
576	E	45.1	Very low	52.8	Low	158 Å²	158	118.6 Å²	118.6	74%	0.738	63%	0.626	S	S	*	*			trans	-69.1	125	160.5	-67.2	-174.8	158.2	0	0	108.1	H574	H574-E576 PolarHBondContact O-N 2.87Å
577	E	40.7	Very low	51.2	Low	183 Å²	183	126.5 Å²	126.5	86%	0.855	67%	0.668	S	S	*	*			trans	-69.2	128.8	161.7	-69	-175.4	153	0	0	107.5	E579	E577-E579 PolarHBondContact O-N 2.69Å; E577-E579 VanDerWaalsContact O-N 3.14Å
578	P	42.6	Very low	49.7	Very low	126 Å²	126	128.9 Å²	128.9	82%	0.818	69%	0.685	S	S	*	*			trans	-77.7	104	-174.3	29.4	-33.8	0	0	0	111.4	D580	P578-D580 PolarHBondContact O-N 2.91Å
579	E	41.5	Very low	48.6	Very low	193 Å²	193	123.7 Å²	123.7	90%	0.902	67%	0.667	S	S	*	*			trans	-72.5	121.4	157.7	-76.3	-164.1	145.2	0	0	110	E577	E577-E579 PolarHBondContact O-N 2.69Å; E577-E579 VanDerWaalsContact O-N 3.14Å
580	D	40.2	Very low	47.9	Very low	160 Å²	160	126 Å²	126	86%	0.856	68%	0.682	S	S	*	*	S	Bend	trans	50.4	89.2	169.2	-76.5	-16.8	0	0	0	120	P578	P578-D580 PolarHBondContact O-N 2.91Å
581	G	46.8	Very low	47.8	Very low	77 Å²	77	123.7 Å²	123.7	79%	0.794	67%	0.665	S	S	*	*				90.5	26.5	110.8	0	0	0	0	0	118.9
582	K	38.6	Very low	48	Very low	203 Å²	203	118.7 Å²	118.7	88%	0.883	65%	0.648	S	S	*	*			trans	-131.9	102.6	167.9	-73.2	-178.5	-177.4	163.9	0	112.9	G584	K582-G584 PolarHBondContact O-N 3.37Å
583	E	38.5	Very low	48.3	Very low	206 Å²	206	118.5 Å²	118.5	96%	0.963	65%	0.647	S	S	*	*			trans	-71.7	123.8	172.1	-65.7	-175.1	152.4	0	0	111.7
584	G	37	Very low	48.7	Very low	58 Å²	58	114.7 Å²	114.7	60%	0.598	64%	0.642	S	S	*	*			trans	-172.5	127.9	168.4	0	0	0	0	0	109.1	K582 S586	K582-G584 PolarHBondContact O-N 3.37Å; G584-S586 PolarHBondContact O-N 3.41Å; G584-S586 VanDerWaalsContact O-N 3.1Å
585	P	41.8	Very low	49.8	Very low	134 Å²	134	116.4 Å²	116.4	87%	0.87	65%	0.652	S	S	*	*			trans	-75.1	104.9	-170.9	28.9	-34	0	0	0	111.6	D587	P585-D587 PolarHBondContact O-N 3.01Å
586	S	39	Very low	51.5	Low	105 Å²	105	118 Å²	118	73%	0.734	65%	0.647	S	S	*	*			trans	-90.6	89.7	169.6	58.5	0	0	0	0	110.6	G584 Q588	G584-S586 PolarHBondContact O-N 3.41Å; G584-S586 VanDerWaalsContact O-N 3.1Å; S586-Q588 PolarHBondContact O-N 3.22Å
587	D	42.7	Very low	53.4	Low	165 Å²	165	113.8 Å²	113.8	88%	0.882	63%	0.63	S	S	*	*			trans	-75.1	35.2	-174.5	-130	-2	0	0	0	113.9	P585	P585-D587 PolarHBondContact O-N 3.01Å
588	Q	44.1	Very low	55.5	Low	170 Å²	170	105.1 Å²	105.1	79%	0.794	59%	0.59	S	S	*	*	S	Bend	trans	-141.9	123.1	177.1	-66.8	-171.3	-3.4	0	0	110.4	S586	S586-Q588 PolarHBondContact O-N 3.22Å
589	P	51.4	Low	57.6	Low	52 Å²	52	102.3 Å²	102.3	34%	0.338	57%	0.568	S	S	.	*			trans	-69	142.5	173.8	28.6	-33.4	0	0	0	110.4	W573 N591	W573-P589 HydrophobicContact CB-CB 4.46Å; W573-P589 HydrophobicContact CG-CB 4.38Å; P589-N591 PolarHBondContact O-N 3.07Å
590	P	57.4	Low	59.8	Low	65 Å²	65	101.3 Å²	101.3	42%	0.422	56%	0.556	S	S	.	*			trans	-73.2	100.8	173.4	1.5	15	0	0	0	108.3	H574	H574-P590 HydrophobicContact CB-CB 4.17Å; H574-P590 HydrophobicContact CB-CG 4.06Å; H574-P590 PolarHBondContact CD2-O 3.03Å; H574-P590 PolarHBondContact N-O 3.39Å; H574-P590 WeakPolarHBondContact O-CD 3.29Å
591	N	63	Low	62	Low	35 Å²	35	94.3 Å²	94.3	19%	0.187	52%	0.518	C	S	.	.			trans	-117.5	114.9	172.5	-168.6	-27.5	0	0	0	108.5	S566 P589 F593	S566-N591 PolarHBondContact O-ND2 3.49Å; P589-N591 PolarHBondContact O-N 3.07Å; N591-F593 PolarHBondContact O-N 3.24Å; N591-F593 PolarHBondContact OD1-N 3.23Å; N591-F593 VanDerWaalsContact OD1-N 3.12Å
592	E	65.4	Low	63.9	Low	89 Å²	89	90.7 Å²	90.7	42%	0.416	48%	0.48	S	S	.	.	S	Bend	trans	-66.7	-22.5	-176.6	-68.3	171.8	-169.3	0	0	112.4	H574 G594 N597 I613	H574-E592 IonicContact CD2-OE1 3.8Å; H574-E592 IonicContact CE1-OE1 3.58Å; H574-E592 IonicContact NE2-OE1 2.74Å; H574-E592 PolarHBondContact NE2-OE1 2.69Å; E592-G594 VanDerWaalsContact C-N 3.33Å; E592-G594 PolarHBondContact O-N 2.84Å; E592-N597 WeakPolarHBondContact O-CB 3.25Å; E592-N597 PolarHBondContact O-ND2 3.08Å; E592-I613 HydrophobicContact CB-CG2 3.96Å
593	F	69.3	Low	66.3	Low	11 Å²	11	83.9 Å²	83.9	5%	0.048	45%	0.453	C	S	.	.			trans	-85.5	67.3	178.8	-75.9	-77.9	0	0	0	112.8	N591 F601 I613 P615	N591-F593 PolarHBondContact O-N 3.24Å; N591-F593 PolarHBondContact OD1-N 3.23Å; N591-F593 VanDerWaalsContact OD1-N 3.12Å; F593-F601 HydrophobicContact CE1-CB 4.13Å; F593-F601 HydrophobicContact CE1-CD2 4.27Å; F593-F601 HydrophobicContact CE1-CG 4.06Å; F593-I613 HydrophobicContact CD2-CG2 4.24Å; F593-I613 HydrophobicContact CE1-CG2 4.05Å; F593-I613 HydrophobicContact CE2-CG2 3.65Å; F593-I613 HydrophobicContact CZ-CB 4.45Å; F593-I613 HydrophobicContact CZ-CG2 3.55Å; F593-P615 HydrophobicContact CE2-CB 4.44Å; F593-P615 HydrophobicContact CZ-CB 4.36Å
594	G	75.4	Confident	68.6	Low	29 Å²	29	74.5 Å²	74.5	30%	0.299	41%	0.412	S	S	.	.			trans	-66.3	164.8	161.1	0	0	0	0	0	112.4	E592 F596 N597 S598	E592-G594 VanDerWaalsContact C-N 3.33Å; E592-G594 PolarHBondContact O-N 2.84Å; G594-F596 VanDerWaalsContact C-N 3.28Å; G594-F596 PolarHBondContact O-N 3.45Å; G594-N597 PolarHBondContact O-N 3.12Å; G594-S598 PolarHBondContact O-N 3.28Å
595	I	79.7	Confident	70.9	Confident	89 Å²	89	72.2 Å²	72.2	46%	0.456	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-36.9	-174.2	-146.1	164.1	0	0	0	112.8	F563 L599	F563-I595 HydrophobicContact CB-CG1 4.5Å; F563-I595 HydrophobicContact CD1-CD1 4.08Å; F563-I595 HydrophobicContact CD1-CG1 4.06Å; F563-I595 HydrophobicContact CD2-CB 3.99Å; F563-I595 HydrophobicContact CD2-CG1 4.1Å; F563-I595 HydrophobicContact CE1-CD1 3.99Å; F563-I595 HydrophobicContact CE1-CG1 4.3Å; F563-I595 HydrophobicContact CE2-CB 4.01Å; F563-I595 HydrophobicContact CE2-CG1 4.35Å; F563-I595 HydrophobicContact CG-CB 4.36Å; F563-I595 HydrophobicContact CG-CD1 4.47Å; F563-I595 HydrophobicContact CG-CG1 3.94Å; F563-I595 HydrophobicContact CZ-CB 4.39Å; F563-I595 HydrophobicContact CZ-CD1 4.31Å; F563-I595 HydrophobicContact CZ-CG1 4.44Å; I595-L599 WeakPolarHBondContact O-CB 3.23Å; I595-L599 PolarHBondContact O-N 2.83Å; I595-L599 VanDerWaalsContact O-N 3.16Å
596	F	82.4	Confident	73.1	Confident	169 Å²	169	68 Å²	68	74%	0.741	36%	0.355	S	S	*	.	H	α-helix	trans	-74	-34.1	174.5	-64.7	-72.2	0	0	0	112.7	G594 L599 W600	G594-F596 VanDerWaalsContact C-N 3.28Å; G594-F596 PolarHBondContact O-N 3.45Å; F596-L599 PolarHBondContact O-N 3.44Å; F596-W600 VanDerWaalsContact O-CB 3.31Å; F596-W600 WeakPolarHBondContact O-CB 3.34Å; F596-W600 PolarHBondContact O-N 3.32Å
597	N	83.4	Confident	75.4	Confident	71 Å²	71	68.3 Å²	68.3	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-73.2	-35.1	178.6	-64.4	0.7	0	0	0	111.3	E592 G594 W600 F601 I613	E592-N597 WeakPolarHBondContact O-CB 3.25Å; E592-N597 PolarHBondContact O-ND2 3.08Å; G594-N597 PolarHBondContact O-N 3.12Å; N597-W600 PolarHBondContact O-N 2.84Å; N597-F601 VanDerWaalsContact O-CB 3.32Å; N597-F601 WeakPolarHBondContact O-CB 3.4Å; N597-F601 PolarHBondContact O-N 2.87Å; N597-I613 HydrophobicContact CB-CD1 4.31Å
598	S	84.8	Confident	77.3	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-44.2	170	-176.2	0	0	0	0	111.8	S559 L562 F563 G594 F601 S602	S559-S598 PolarHBondContact O-OG 3Å; L562-S598 VanDerWaalsContact CB-OG 3.28Å; L562-S598 WeakPolarHBondContact CB-OG 3.28Å; F563-S598 PolarHBondContact N-OG 3.26Å; G594-S598 PolarHBondContact O-N 3.28Å; S598-F601 PolarHBondContact O-N 3.34Å; S598-S602 PolarHBondContact O-N 2.94Å; S598-S602 PolarHBondContact O-OG 3.12Å
599	L	87.8	Confident	79	Confident	68 Å²	68	66.4 Å²	66.4	36%	0.356	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-46.1	174.7	-164.9	119.1	0	0	0	111.2	Y555 I595 F596 S602 L603	Y555-L599 HydrophobicContact CE1-CD1 4.35Å; Y555-L599 HydrophobicContact CE1-CG 4.36Å; Y555-L599 VanDerWaalsContact OH-CD2 3.25Å; Y555-L599 WeakPolarHBondContact OH-CD2 3.35Å; Y555-L599 WeakPolarHBondContact OH-CG 3.39Å; I595-L599 WeakPolarHBondContact O-CB 3.23Å; I595-L599 PolarHBondContact O-N 2.83Å; I595-L599 VanDerWaalsContact O-N 3.16Å; F596-L599 PolarHBondContact O-N 3.44Å; L599-S602 PolarHBondContact O-N 2.76Å; L599-S602 PolarHBondContact O-OG 2.99Å; L599-L603 WeakPolarHBondContact O-CB 3.5Å; L599-L603 PolarHBondContact O-N 3.03Å
600	W	87.1	Confident	80.1	Confident	172 Å²	172	66.2 Å²	66.2	65%	0.652	34%	0.339	S	S	*	.	H	α-helix	trans	-60.6	-44.6	174.7	-170.4	-104.7	0	0	0	112.8	F596 N597 S602 L603 G604	F596-W600 VanDerWaalsContact O-CB 3.31Å; F596-W600 WeakPolarHBondContact O-CB 3.34Å; F596-W600 PolarHBondContact O-N 3.32Å; N597-W600 PolarHBondContact O-N 2.84Å; W600-S602 PolarHBondContact O-N 2.71Å; W600-L603 HydrophobicContact CE3-CD2 4.41Å; W600-L603 HydrophobicContact CZ3-CD2 4.38Å; W600-L603 PolarHBondContact O-N 3.39Å; W600-G604 PolarHBondContact O-N 3.01Å
601	F	86.3	Confident	81	Confident	13 Å²	13	65 Å²	65	6%	0.057	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-48.6	175.2	175.2	-93.1	0	0	0	111.8	L562 F593 N597 S598 L603 G604 A605 C611 I613 P615	L562-F601 HydrophobicContact CD1-CD1 3.73Å; L562-F601 HydrophobicContact CD1-CE1 3.91Å; F593-F601 HydrophobicContact CE1-CB 4.13Å; F593-F601 HydrophobicContact CE1-CD2 4.27Å; F593-F601 HydrophobicContact CE1-CG 4.06Å; N597-F601 VanDerWaalsContact O-CB 3.32Å; N597-F601 WeakPolarHBondContact O-CB 3.4Å; N597-F601 PolarHBondContact O-N 2.87Å; S598-F601 PolarHBondContact O-N 3.34Å; F601-L603 VanDerWaalsContact C-N 3.26Å; F601-L603 PolarHBondContact O-N 3.37Å; F601-G604 PolarHBondContact O-N 2.88Å; F601-A605 VanDerWaalsContact O-CB 3.24Å; F601-A605 WeakPolarHBondContact O-CB 3.41Å; F601-A605 PolarHBondContact O-N 3.32Å; F601-C611 HydrophobicContact CD2-CB 4.06Å; F601-I613 VanDerWaalsContact CD2-O 3.26Å; F601-I613 WeakPolarHBondContact CD2-O 3.36Å; F601-I613 WeakPolarHBondContact CE2-O 3.35Å; F601-P615 HydrophobicContact CZ-CG 4.16Å
602	S	86.7	Confident	81.4	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-64.9	-31.1	179.2	72.1	0	0	0	0	112.5	Y555 S559 S598 L599 W600 F606 W627	Y555-S602 WeakPolarHBondContact CD2-OG 3.44Å; Y555-S602 WeakPolarHBondContact CE2-OG 3.46Å; S559-S602 PolarHBondContact OG-OG 3.07Å; S598-S602 PolarHBondContact O-N 2.94Å; S598-S602 PolarHBondContact O-OG 3.12Å; L599-S602 PolarHBondContact O-N 2.76Å; L599-S602 PolarHBondContact O-OG 2.99Å; W600-S602 PolarHBondContact O-N 2.71Å; S602-F606 WeakPolarHBondContact O-CB 3.17Å; S602-F606 PolarHBondContact O-N 3.43Å; S602-W627 PolarHBondContact O-NE1 2.95Å
603	L	88.8	Confident	81.8	Confident	60 Å²	60	69.7 Å²	69.7	31%	0.314	36%	0.36	S	S	.	.	H	α-helix	trans	-73	-46.6	174.6	-172.8	63.8	0	0	0	112.4	Y555 L599 W600 F601 A605 F606 M607	Y555-L603 HydrophobicContact CE2-CB 3.88Å; Y555-L603 HydrophobicContact CE2-CD1 4.25Å; L599-L603 WeakPolarHBondContact O-CB 3.5Å; L599-L603 PolarHBondContact O-N 3.03Å; W600-L603 HydrophobicContact CE3-CD2 4.41Å; W600-L603 HydrophobicContact CZ3-CD2 4.38Å; W600-L603 PolarHBondContact O-N 3.39Å; F601-L603 VanDerWaalsContact C-N 3.26Å; F601-L603 PolarHBondContact O-N 3.37Å; L603-A605 VanDerWaalsContact C-N 3.29Å; L603-A605 PolarHBondContact O-N 3.27Å; L603-F606 CarbonylContact O-C 3.53Å; L603-F606 WeakPolarHBondContact O-CA 3.23Å; L603-F606 WeakPolarHBondContact O-CB 3.3Å; L603-F606 PolarHBondContact O-N 3.11Å; L603-M607 HydrophobicContact CD1-CG 4.47Å; L603-M607 WeakPolarHBondContact O-CG 3.39Å; L603-M607 PolarHBondContact O-N 3.03Å
604	G	86.7	Confident	82.1	Confident	10 Å²	10	72.8 Å²	72.8	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-63.6	-34.7	176.6	0	0	0	0	0	112.7	W600 F601 Q608 Q609 G610	W600-G604 PolarHBondContact O-N 3.01Å; F601-G604 PolarHBondContact O-N 2.88Å; G604-Q608 PolarHBondContact O-N 3.39Å; G604-Q609 PolarHBondContact O-N 3.06Å; G604-Q609 VanDerWaalsContact O-N 3.17Å; G604-G610 PolarHBondContact O-N 3.42Å
605	A	85.6	Confident	82.2	Confident	10 Å²	10	71.9 Å²	71.9	8%	0.083	37%	0.371	C	S	.	.	H	α-helix	trans	-68.2	-32.7	169.9	0	0	0	0	0	113.3	F601 L603	F601-A605 VanDerWaalsContact O-CB 3.24Å; F601-A605 WeakPolarHBondContact O-CB 3.41Å; F601-A605 PolarHBondContact O-N 3.32Å; L603-A605 VanDerWaalsContact C-N 3.29Å; L603-A605 PolarHBondContact O-N 3.27Å
606	F	88.1	Confident	81.9	Confident	44 Å²	44	74.7 Å²	74.7	19%	0.193	38%	0.376	C	S	.	.	H	α-helix	trans	-72.7	-41.6	173.3	-171.9	-87.6	0	0	0	111.7	I551 S602 L603 Q608 W627 T631 I635	I551-F606 HydrophobicContact CG2-CE2 3.72Å; I551-F606 HydrophobicContact CG2-CZ 3.9Å; S602-F606 WeakPolarHBondContact O-CB 3.17Å; S602-F606 PolarHBondContact O-N 3.43Å; L603-F606 CarbonylContact O-C 3.53Å; L603-F606 WeakPolarHBondContact O-CA 3.23Å; L603-F606 WeakPolarHBondContact O-CB 3.3Å; L603-F606 PolarHBondContact O-N 3.11Å; F606-Q608 PolarHBondContact O-N 3.22Å; F606-W627 HydrophobicContact CB-CZ2 4.23Å; F606-W627 HydrophobicContact CD2-CH2 4.23Å; F606-W627 AromaticContact CD2-CZ2 3.85Å; F606-W627 HydrophobicContact CD2-CZ2 3.85Å; F606-W627 HydrophobicContact CG-CZ2 4.5Å; F606-T631 HydrophobicContact CB-CG2 4.25Å; F606-T631 HydrophobicContact CD2-CG2 3.56Å; F606-T631 HydrophobicContact CE2-CG2 4.32Å; F606-T631 HydrophobicContact CG-CG2 4.27Å; F606-I635 WeakPolarHBondContact O-CD1 3.4Å
607	M	86.6	Confident	81.9	Confident	112 Å²	112	66.7 Å²	66.7	55%	0.552	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	5.8	-178.6	-62.6	-137.3	72	0	0	114.7	L603 Q609	L603-M607 HydrophobicContact CD1-CG 4.47Å; L603-M607 WeakPolarHBondContact O-CG 3.39Å; L603-M607 PolarHBondContact O-N 3.03Å; M607-Q609 PolarHBondContact O-N 2.91Å
608	Q	83	Confident	81.8	Confident	131 Å²	131	69.7 Å²	69.7	61%	0.612	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	19.5	-179.5	-53.3	-178.2	-4	0	0	115	G604 F606 I635	G604-Q608 PolarHBondContact O-N 3.39Å; F606-Q608 PolarHBondContact O-N 3.22Å; Q608-I635 HydrophobicContact CG-CD1 4.04Å
609	Q	79.8	Confident	81.8	Confident	165 Å²	165	72.8 Å²	72.8	77%	0.771	38%	0.379	S	S	*	.			trans	-95.2	-14.3	-178	-71.2	177.2	0.8	0	0	113.4	G604 M607	G604-Q609 PolarHBondContact O-N 3.06Å; G604-Q609 VanDerWaalsContact O-N 3.17Å; M607-Q609 PolarHBondContact O-N 2.91Å
610	G	75.3	Confident	81.6	Confident	47 Å²	47	69.6 Å²	69.6	49%	0.485	36%	0.362	S	S	.	.			trans	77.6	-175.8	-173.4	0	0	0	0	0	112.6	G604	G604-G610 PolarHBondContact O-N 3.42Å
611	C	75.9	Confident	81.6	Confident	41 Å²	41	68.3 Å²	68.3	28%	0.277	36%	0.357	S	S	.	.			trans	-152.4	148.1	174.1	-89.3	0	0	0	0	108.8	F601 I613	F601-C611 HydrophobicContact CD2-CB 4.06Å; C611-I613 PolarHBondContact O-N 3.14Å
612	D	70.5	Confident	81.7	Confident	177 Å²	177	72.5 Å²	72.5	95%	0.947	38%	0.379	S	S	*	.	S	Bend	trans	-66.9	-26	179	-57.8	-42.6	0	0	0	112.5
613	I	73.9	Confident	81.8	Confident	44 Å²	44	74 Å²	74	23%	0.226	39%	0.388	C	S	.	.			trans	-93.2	129.9	178.3	-47.4	174.3	0	0	0	108.9	E592 F593 N597 F601 C611	E592-I613 HydrophobicContact CB-CG2 3.96Å; F593-I613 HydrophobicContact CD2-CG2 4.24Å; F593-I613 HydrophobicContact CE1-CG2 4.05Å; F593-I613 HydrophobicContact CE2-CG2 3.65Å; F593-I613 HydrophobicContact CZ-CB 4.45Å; F593-I613 HydrophobicContact CZ-CG2 3.55Å; N597-I613 HydrophobicContact CB-CD1 4.31Å; F601-I613 VanDerWaalsContact CD2-O 3.26Å; F601-I613 WeakPolarHBondContact CD2-O 3.36Å; F601-I613 WeakPolarHBondContact CE2-O 3.35Å; C611-I613 PolarHBondContact O-N 3.14Å
614	S	76.4	Confident	81.7	Confident	76 Å²	76	71.3 Å²	71.3	53%	0.531	38%	0.375	S	S	.	.			trans	-133.2	141.5	179.2	61	0	0	0	0	112.4	R616	S614-R616 PolarHBondContact O-N 3.43Å
615	P	77.8	Confident	81.8	Confident	10 Å²	10	72.5 Å²	72.5	7%	0.065	39%	0.387	C	S	.	.			trans	-66.5	127.5	-177.9	25.2	-32.9	0	0	0	111.2	F593 F601 R621	F593-P615 HydrophobicContact CE2-CB 4.44Å; F593-P615 HydrophobicContact CZ-CB 4.36Å; F601-P615 HydrophobicContact CZ-CG 4.16Å; P615-R621 HydrophobicContact CB-CG 4.49Å; P615-R621 HydrophobicContact CG-CG 4.28Å; P615-R621 VanDerWaalsContact O-CG 3.24Å; P615-R621 WeakPolarHBondContact O-CG 3.45Å; P615-R621 PolarHBondContact O-NE 2.83Å
616	R	73.2	Confident	82.1	Confident	148 Å²	148	76.8 Å²	76.8	56%	0.558	41%	0.412	S	S	*	.			trans	-88.2	-33.4	178.6	-70	-177.3	176.6	171.8	-0.4	112.3	E572 H574 S614 R621	E572-R616 HydrophobicContact CG-CB 4.15Å; E572-R616 PolarHBondContact OE1-N 2.92Å; H574-R616 PolarHBondContact CE1-NH1 3Å; H574-R616 VanDerWaalsContact CE1-NH1 3.3Å; H574-R616 PolarHBondContact ND1-NH1 3.36Å; S614-R616 PolarHBondContact O-N 3.43Å; R616-R621 PolarHBondContact O-NE 3.25Å
617	S	82.3	Confident	82.3	Confident	2 Å²	2	75 Å²	75	1%	0.014	40%	0.404	C	S	.	.	S	Bend	trans	-69.5	147.7	-179.7	71.5	0	0	0	0	111.9	S569 E572 S619 G620 R621	S569-S617 VanDerWaalsContact OG-CB 3.24Å; S569-S617 WeakPolarHBondContact OG-CB 3.46Å; E572-S617 WeakPolarHBondContact OE1-CA 3.33Å; E572-S617 WeakPolarHBondContact OE1-CB 3.33Å; E572-S617 PolarHBondContact OE1-N 3.27Å; E572-S617 PolarHBondContact OE1-OG 3.29Å; S617-S619 VanDerWaalsContact C-N 3.26Å; S617-S619 PolarHBondContact O-N 3.02Å; S617-G620 PolarHBondContact O-N 3.12Å; S617-G620 PolarHBondContact OG-N 3.37Å; S617-R621 WeakPolarHBondContact O-CB 3.28Å; S617-R621 VanDerWaalsContact O-CG 3.3Å; S617-R621 WeakPolarHBondContact O-CG 3.48Å; S617-R621 PolarHBondContact O-N 3Å
618	L	82.1	Confident	82.4	Confident	133 Å²	133	76.9 Å²	76.9	70%	0.696	41%	0.405	S	S	*	.	H	α-helix	trans	-58.8	-40.7	174.7	-176.8	63.2	0	0	0	111.3	R621 I622	L618-R621 PolarHBondContact O-N 3.26Å; L618-I622 HydrophobicContact CG-CD1 4.17Å; L618-I622 VanDerWaalsContact O-CG1 3.32Å; L618-I622 WeakPolarHBondContact O-CG1 3.25Å; L618-I622 PolarHBondContact O-N 2.92Å
619	S	84.1	Confident	82.8	Confident	66 Å²	66	77.4 Å²	77.4	46%	0.462	41%	0.406	S	S	.	.	H	α-helix	trans	-62.8	-46.9	177.7	-53.2	0	0	0	0	112.4	S617 R621 I622 V623	S617-S619 VanDerWaalsContact C-N 3.26Å; S617-S619 PolarHBondContact O-N 3.02Å; S619-R621 VanDerWaalsContact C-N 3.34Å; S619-R621 PolarHBondContact O-N 3.01Å; S619-I622 PolarHBondContact O-N 3.45Å; S619-V623 PolarHBondContact O-N 3.07Å
620	G	84	Confident	83.4	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.8	-38.6	176.6	0	0	0	0	0	112.4	S617 V623 G624	S617-G620 PolarHBondContact O-N 3.12Å; S617-G620 PolarHBondContact OG-N 3.37Å; G620-V623 PolarHBondContact O-N 3.25Å; G620-G624 PolarHBondContact O-N 2.88Å
621	R	86.6	Confident	84.2	Confident	145 Å²	145	71.1 Å²	71.1	55%	0.547	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-36.8	174.6	-72.4	173.9	179.6	-176.2	0.3	113.4	P615 R616 S617 L618 S619 G625	P615-R621 HydrophobicContact CB-CG 4.49Å; P615-R621 HydrophobicContact CG-CG 4.28Å; P615-R621 VanDerWaalsContact O-CG 3.24Å; P615-R621 WeakPolarHBondContact O-CG 3.45Å; P615-R621 PolarHBondContact O-NE 2.83Å; R616-R621 PolarHBondContact O-NE 3.25Å; S617-R621 WeakPolarHBondContact O-CB 3.28Å; S617-R621 VanDerWaalsContact O-CG 3.3Å; S617-R621 WeakPolarHBondContact O-CG 3.48Å; S617-R621 PolarHBondContact O-N 3Å; L618-R621 PolarHBondContact O-N 3.26Å; S619-R621 VanDerWaalsContact C-N 3.34Å; S619-R621 PolarHBondContact O-N 3.01Å; R621-G625 PolarHBondContact O-N 3.29Å
622	I	88.9	Confident	84.8	Confident	102 Å²	102	73.5 Å²	73.5	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-65.2	-46.2	174.9	-69.7	163.3	0	0	0	110.3	L618 S619 G624 G625 V626	L618-I622 HydrophobicContact CG-CD1 4.17Å; L618-I622 VanDerWaalsContact O-CG1 3.32Å; L618-I622 WeakPolarHBondContact O-CG1 3.25Å; L618-I622 PolarHBondContact O-N 2.92Å; S619-I622 PolarHBondContact O-N 3.45Å; I622-G624 PolarHBondContact O-N 3.16Å; I622-G625 PolarHBondContact O-N 3.03Å; I622-V626 WeakPolarHBondContact O-CG2 3.32Å; I622-V626 PolarHBondContact O-N 2.9Å
623	V	89.1	Confident	85.9	Confident	30 Å²	30	69.3 Å²	69.3	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-45.5	177.4	179.6	0	0	0	0	110.9	V558 V561 L562 S619 G620 G625 V626 W627	V558-V623 HydrophobicContact CG1-CG1 4.22Å; V561-V623 HydrophobicContact CG1-CG1 4.11Å; V561-V623 HydrophobicContact CG1-CG2 3.96Å; L562-V623 HydrophobicContact CD1-CG1 4.43Å; L562-V623 HydrophobicContact CD2-CB 3.97Å; L562-V623 HydrophobicContact CD2-CG1 3.92Å; L562-V623 HydrophobicContact CG-CB 4.38Å; L562-V623 HydrophobicContact CG-CG1 3.75Å; S619-V623 PolarHBondContact O-N 3.07Å; G620-V623 PolarHBondContact O-N 3.25Å; V623-G625 PolarHBondContact O-N 2.68Å; V623-V626 PolarHBondContact O-N 3.23Å; V623-W627 WeakPolarHBondContact O-CB 3.37Å; V623-W627 PolarHBondContact O-N 3.44Å
624	G	86.1	Confident	86.7	Confident	4 Å²	4	68.7 Å²	68.7	4%	0.041	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-41.2	175.1	0	0	0	0	0	113.5	G620 I622 W627 W628	G620-G624 PolarHBondContact O-N 2.88Å; I622-G624 PolarHBondContact O-N 3.16Å; G624-W627 PolarHBondContact O-N 3.05Å; G624-W628 PolarHBondContact O-N 3.39Å
625	G	88.3	Confident	87.4	Confident	36 Å²	36	66.8 Å²	66.8	37%	0.371	33%	0.33	S	S	.	.	H	α-helix	trans	-68.4	-39.8	178.6	0	0	0	0	0	113.5	R621 I622 V623 W628 F629	R621-G625 PolarHBondContact O-N 3.29Å; I622-G625 PolarHBondContact O-N 3.03Å; V623-G625 PolarHBondContact O-N 2.68Å; G625-W628 PolarHBondContact O-N 3.41Å; G625-F629 PolarHBondContact O-N 2.89Å
626	V	91.9	Very high	88	Confident	99 Å²	99	69.4 Å²	69.4	60%	0.6	35%	0.348	S	S	*	.	H	α-helix	trans	-66.2	-39.7	172.7	173.7	0	0	0	0	110.7	I622 V623 F629 F630	I622-V626 WeakPolarHBondContact O-CG2 3.32Å; I622-V626 PolarHBondContact O-N 2.9Å; V623-V626 PolarHBondContact O-N 3.23Å; V626-F629 PolarHBondContact O-N 2.97Å; V626-F630 WeakPolarHBondContact O-CB 3.22Å; V626-F630 PolarHBondContact O-N 3.41Å
627	W	91.9	Very high	88.8	Confident	6 Å²	6	65 Å²	65	2%	0.023	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-47.5	173.3	-175.8	-121.6	0	0	0	111.6	A554 Y555 V558 S602 F606 V623 G624 F629 F630 T631	A554-W627 HydrophobicContact CB-CZ3 4.19Å; Y555-W627 HydrophobicContact CD2-CZ2 4.28Å; V558-W627 HydrophobicContact CB-CD2 4.4Å; V558-W627 HydrophobicContact CB-CE3 4.21Å; V558-W627 HydrophobicContact CG1-CB 4.14Å; V558-W627 HydrophobicContact CG1-CD2 3.98Å; V558-W627 HydrophobicContact CG1-CE3 4.23Å; V558-W627 HydrophobicContact CG1-CG 3.95Å; V558-W627 HydrophobicContact CG2-CD2 4.33Å; V558-W627 HydrophobicContact CG2-CE3 3.74Å; V558-W627 HydrophobicContact CG2-CZ3 4.12Å; S602-W627 PolarHBondContact O-NE1 2.95Å; F606-W627 HydrophobicContact CB-CZ2 4.23Å; F606-W627 HydrophobicContact CD2-CH2 4.23Å; F606-W627 AromaticContact CD2-CZ2 3.85Å; F606-W627 HydrophobicContact CD2-CZ2 3.85Å; F606-W627 HydrophobicContact CG-CZ2 4.5Å; V623-W627 WeakPolarHBondContact O-CB 3.37Å; V623-W627 PolarHBondContact O-N 3.44Å; G624-W627 PolarHBondContact O-N 3.05Å; W627-F629 VanDerWaalsContact C-N 3.33Å; W627-F629 PolarHBondContact O-N 3.44Å; W627-F630 AromaticContact CE3-CD1 3.69Å; W627-F630 HydrophobicContact CE3-CD1 3.69Å; W627-F630 HydrophobicContact CE3-CE1 4.33Å; W627-F630 HydrophobicContact CE3-CG 4.47Å; W627-F630 HydrophobicContact CH2-CD1 4.19Å; W627-F630 HydrophobicContact CH2-CE1 4.12Å; W627-F630 AromaticContact CZ3-CD1 3.43Å; W627-F630 HydrophobicContact CZ3-CD1 3.43Å; W627-F630 VanDerWaalsContact CZ3-CD1 3.43Å; W627-F630 AromaticContact CZ3-CE1 3.6Å; W627-F630 HydrophobicContact CZ3-CE1 3.6Å; W627-F630 HydrophobicContact CZ3-CG 4.49Å; W627-F630 WeakPolarHBondContact O-CB 3.37Å; W627-F630 PolarHBondContact O-N 3.41Å; W627-F630 VanDerWaalsContact O-N 3.13Å; W627-T631 HydrophobicContact CD2-CG2 3.87Å; W627-T631 HydrophobicContact CE3-CG2 4.33Å; W627-T631 HydrophobicContact CG-CG2 4.31Å; W627-T631 HydrophobicContact CH2-CG2 4.37Å; W627-T631 HydrophobicContact CZ2-CG2 3.89Å; W627-T631 WeakPolarHBondContact O-CG2 3.45Å; W627-T631 PolarHBondContact O-N 3.25Å; W627-T631 PolarHBondContact O-OG1 3.27Å
628	W	90.2	Very high	89.3	Confident	153 Å²	153	67.3 Å²	67.3	58%	0.58	35%	0.349	S	S	*	.	H	α-helix	trans	-58	-40.8	175.5	-74.8	-3.1	0	0	0	113.3	G624 G625 T631 L632	G624-W628 PolarHBondContact O-N 3.39Å; G625-W628 PolarHBondContact O-N 3.41Å; W628-T631 PolarHBondContact O-OG1 3.12Å; W628-L632 VanDerWaalsContact O-CB 3.24Å; W628-L632 WeakPolarHBondContact O-CB 3.31Å; W628-L632 PolarHBondContact O-N 3.28Å
629	F	91.7	Very high	89.6	Confident	142 Å²	142	64.7 Å²	64.7	62%	0.623	34%	0.338	S	S	*	.	H	α-helix	trans	-65.1	-42.9	175.4	-175.3	-104.6	0	0	0	111.6	G625 V626 W627 I633	G625-F629 PolarHBondContact O-N 2.89Å; V626-F629 PolarHBondContact O-N 2.97Å; W627-F629 VanDerWaalsContact C-N 3.33Å; W627-F629 PolarHBondContact O-N 3.44Å; F629-I633 HydrophobicContact CE1-CG1 4.16Å; F629-I633 HydrophobicContact CE2-CD1 4.38Å; F629-I633 HydrophobicContact CE2-CG1 4.31Å; F629-I633 HydrophobicContact CZ-CD1 4.2Å; F629-I633 HydrophobicContact CZ-CG1 4.03Å; F629-I633 WeakPolarHBondContact O-CG1 3.38Å; F629-I633 PolarHBondContact O-N 2.94Å; F629-I633 VanDerWaalsContact O-N 3.16Å
630	F	91.8	Very high	89.8	Confident	73 Å²	73	64.3 Å²	64.3	32%	0.32	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-48.1	175.6	174.8	-98.8	0	0	0	112.4	I551 A554 V626 W627 L632 I633 I634	I551-F630 HydrophobicContact CG1-CZ 4.5Å; A554-F630 HydrophobicContact CB-CE1 4.49Å; A554-F630 HydrophobicContact CB-CZ 4.49Å; V626-F630 WeakPolarHBondContact O-CB 3.22Å; V626-F630 PolarHBondContact O-N 3.41Å; W627-F630 AromaticContact CE3-CD1 3.69Å; W627-F630 HydrophobicContact CE3-CD1 3.69Å; W627-F630 HydrophobicContact CE3-CE1 4.33Å; W627-F630 HydrophobicContact CE3-CG 4.47Å; W627-F630 HydrophobicContact CH2-CD1 4.19Å; W627-F630 HydrophobicContact CH2-CE1 4.12Å; W627-F630 AromaticContact CZ3-CD1 3.43Å; W627-F630 HydrophobicContact CZ3-CD1 3.43Å; W627-F630 VanDerWaalsContact CZ3-CD1 3.43Å; W627-F630 AromaticContact CZ3-CE1 3.6Å; W627-F630 HydrophobicContact CZ3-CE1 3.6Å; W627-F630 HydrophobicContact CZ3-CG 4.49Å; W627-F630 WeakPolarHBondContact O-CB 3.37Å; W627-F630 PolarHBondContact O-N 3.41Å; W627-F630 VanDerWaalsContact O-N 3.13Å; F630-L632 PolarHBondContact O-N 3.34Å; F630-I633 PolarHBondContact O-N 2.85Å; F630-I634 HydrophobicContact CD1-CG1 4.42Å; F630-I634 HydrophobicContact CD2-CG1 4.3Å; F630-I634 HydrophobicContact CE1-CG1 4.05Å; F630-I634 HydrophobicContact CE2-CD1 4.18Å; F630-I634 HydrophobicContact CE2-CG1 3.92Å; F630-I634 HydrophobicContact CZ-CD1 4.18Å; F630-I634 HydrophobicContact CZ-CG1 3.79Å; F630-I634 WeakPolarHBondContact O-CG1 3.38Å; F630-I634 PolarHBondContact O-N 3.23Å
631	T	90.9	Very high	89.9	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-36.9	-178.3	61.7	0	0	0	0	112.2	F606 W627 W628 I634 I635	F606-T631 HydrophobicContact CB-CG2 4.25Å; F606-T631 HydrophobicContact CD2-CG2 3.56Å; F606-T631 HydrophobicContact CE2-CG2 4.32Å; F606-T631 HydrophobicContact CG-CG2 4.27Å; W627-T631 HydrophobicContact CD2-CG2 3.87Å; W627-T631 HydrophobicContact CE3-CG2 4.33Å; W627-T631 HydrophobicContact CG-CG2 4.31Å; W627-T631 HydrophobicContact CH2-CG2 4.37Å; W627-T631 HydrophobicContact CZ2-CG2 3.89Å; W627-T631 WeakPolarHBondContact O-CG2 3.45Å; W627-T631 PolarHBondContact O-N 3.25Å; W627-T631 PolarHBondContact O-OG1 3.27Å; W628-T631 PolarHBondContact O-OG1 3.12Å; T631-I634 PolarHBondContact O-N 3.08Å; T631-I635 WeakPolarHBondContact O-CB 3.09Å; T631-I635 WeakPolarHBondContact O-CD1 3.45Å; T631-I635 VanDerWaalsContact O-CG1 3.26Å; T631-I635 WeakPolarHBondContact O-CG1 3.48Å; T631-I635 PolarHBondContact O-N 3.02Å
632	L	90.1	Very high	89.7	Confident	92 Å²	92	62.9 Å²	62.9	48%	0.482	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-51.9	173	-174.9	156.1	0	0	0	111.2	W628 F630 I634 I635 S636	W628-L632 VanDerWaalsContact O-CB 3.24Å; W628-L632 WeakPolarHBondContact O-CB 3.31Å; W628-L632 PolarHBondContact O-N 3.28Å; F630-L632 PolarHBondContact O-N 3.34Å; L632-I634 PolarHBondContact O-N 2.9Å; L632-I635 PolarHBondContact O-N 2.82Å; L632-S636 WeakPolarHBondContact O-CB 3.21Å; L632-S636 PolarHBondContact O-N 2.73Å; L632-S636 PolarHBondContact O-OG 2.81Å
633	I	92.1	Very high	89.1	Confident	88 Å²	88	60.8 Å²	60.8	45%	0.451	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-44.8	-179.4	-65.3	-65	0	0	0	111.7	F629 F630 S637	F629-I633 HydrophobicContact CE1-CG1 4.16Å; F629-I633 HydrophobicContact CE2-CD1 4.38Å; F629-I633 HydrophobicContact CE2-CG1 4.31Å; F629-I633 HydrophobicContact CZ-CD1 4.2Å; F629-I633 HydrophobicContact CZ-CG1 4.03Å; F629-I633 WeakPolarHBondContact O-CG1 3.38Å; F629-I633 PolarHBondContact O-N 2.94Å; F629-I633 VanDerWaalsContact O-N 3.16Å; F630-I633 PolarHBondContact O-N 2.85Å; I633-S637 WeakPolarHBondContact O-CB 3.1Å; I633-S637 PolarHBondContact O-N 3.26Å
634	I	91.7	Very high	88.6	Confident	31 Å²	31	61.9 Å²	61.9	16%	0.159	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-45.9	179.7	-69.3	-67.2	0	0	0	111.5	I551 F630 T631 L632 S637 Y638	I551-I634 HydrophobicContact CD1-CG2 3.82Å; F630-I634 HydrophobicContact CD1-CG1 4.42Å; F630-I634 HydrophobicContact CD2-CG1 4.3Å; F630-I634 HydrophobicContact CE1-CG1 4.05Å; F630-I634 HydrophobicContact CE2-CD1 4.18Å; F630-I634 HydrophobicContact CE2-CG1 3.92Å; F630-I634 HydrophobicContact CZ-CD1 4.18Å; F630-I634 HydrophobicContact CZ-CG1 3.79Å; F630-I634 WeakPolarHBondContact O-CG1 3.38Å; F630-I634 PolarHBondContact O-N 3.23Å; T631-I634 PolarHBondContact O-N 3.08Å; L632-I634 PolarHBondContact O-N 2.9Å; I634-S637 PolarHBondContact O-N 2.98Å; I634-Y638 WeakPolarHBondContact O-CB 3.32Å; I634-Y638 PolarHBondContact O-N 2.99Å
635	I	90.6	Very high	88.1	Confident	37 Å²	37	66.3 Å²	66.3	19%	0.19	37%	0.371	C	S	.	.	H	α-helix	trans	-71.1	-40.2	-177.6	-64.7	164.6	0	0	0	111	F606 Q608 T631 L632 S637 Y638 T639	F606-I635 WeakPolarHBondContact O-CD1 3.4Å; Q608-I635 HydrophobicContact CG-CD1 4.04Å; T631-I635 WeakPolarHBondContact O-CB 3.09Å; T631-I635 WeakPolarHBondContact O-CD1 3.45Å; T631-I635 VanDerWaalsContact O-CG1 3.26Å; T631-I635 WeakPolarHBondContact O-CG1 3.48Å; T631-I635 PolarHBondContact O-N 3.02Å; L632-I635 PolarHBondContact O-N 2.82Å; I635-S637 VanDerWaalsContact C-N 3.33Å; I635-S637 PolarHBondContact O-N 2.93Å; I635-Y638 PolarHBondContact O-N 3.14Å; I635-T639 WeakPolarHBondContact O-CG2 3.44Å; I635-T639 PolarHBondContact O-N 2.98Å; I635-T639 PolarHBondContact O-OG1 2.69Å
636	S	89.9	Confident	87.3	Confident	65 Å²	65	68 Å²	68	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-36.8	173.3	-67.3	0	0	0	0	112.7	L632 T639 A640	L632-S636 WeakPolarHBondContact O-CB 3.21Å; L632-S636 PolarHBondContact O-N 2.73Å; L632-S636 PolarHBondContact O-OG 2.81Å; S636-T639 PolarHBondContact O-OG1 3.31Å; S636-T639 VanDerWaalsContact O-OG1 3.12Å; S636-A640 WeakPolarHBondContact O-CB 3.36Å; S636-A640 PolarHBondContact O-N 3.32Å; S636-A640 VanDerWaalsContact O-N 3.16Å
637	S	91.5	Very high	86.2	Confident	55 Å²	55	68.6 Å²	68.6	39%	0.385	38%	0.375	S	S	.	.	H	α-helix	trans	-71	-37	174.7	-169.4	0	0	0	0	112.3	I633 I634 I635 N641	I633-S637 WeakPolarHBondContact O-CB 3.1Å; I633-S637 PolarHBondContact O-N 3.26Å; I634-S637 PolarHBondContact O-N 2.98Å; I635-S637 VanDerWaalsContact C-N 3.33Å; I635-S637 PolarHBondContact O-N 2.93Å; S637-N641 WeakPolarHBondContact O-CB 3.44Å; S637-N641 PolarHBondContact O-N 2.84Å
638	Y	91.3	Very high	84.9	Confident	51 Å²	51	72.1 Å²	72.1	20%	0.2	40%	0.397	C	S	.	.	H	α-helix	trans	-63.6	-46.8	175.2	171	-98	0	0	0	111.7	F539 P542 L543 W548 I634 I635 A640 N641 L642	F539-Y638 VanDerWaalsContact O-CE2 3.3Å; F539-Y638 WeakPolarHBondContact O-CE2 3.46Å; F539-Y638 PolarHBondContact O-OH 3.2Å; F539-Y638 VanDerWaalsContact O-OH 3.05Å; P542-Y638 HydrophobicContact CB-CD2 4.21Å; P542-Y638 HydrophobicContact CB-CE2 4.26Å; P542-Y638 HydrophobicContact CG-CE2 4.26Å; L543-Y638 HydrophobicContact CD1-CD2 4.05Å; L543-Y638 HydrophobicContact CG-CD2 4.17Å; W548-Y638 HydrophobicContact CZ2-CE2 4.41Å; I634-Y638 WeakPolarHBondContact O-CB 3.32Å; I634-Y638 PolarHBondContact O-N 2.99Å; I635-Y638 PolarHBondContact O-N 3.14Å; Y638-A640 PolarHBondContact O-N 2.8Å; Y638-N641 PolarHBondContact O-N 3.37Å; Y638-L642 HydrophobicContact CE1-CD2 4.05Å; Y638-L642 VanDerWaalsContact O-CB 3.24Å; Y638-L642 WeakPolarHBondContact O-CB 3.5Å; Y638-L642 PolarHBondContact O-N 2.8Å
639	T	88.8	Confident	83.7	Confident	77 Å²	77	69.8 Å²	69.8	47%	0.472	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-37.3	179.3	54.5	0	0	0	0	112.3	I635 S636 A643	I635-T639 WeakPolarHBondContact O-CG2 3.44Å; I635-T639 PolarHBondContact O-N 2.98Å; I635-T639 PolarHBondContact O-OG1 2.69Å; S636-T639 PolarHBondContact O-OG1 3.31Å; S636-T639 VanDerWaalsContact O-OG1 3.12Å; T639-A643 PolarHBondContact O-N 3.16Å; T639-A643 VanDerWaalsContact O-N 3.13Å
640	A	88.1	Confident	82.2	Confident	59 Å²	59	72.5 Å²	72.5	49%	0.488	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-48.9	173.3	0	0	0	0	0	112.4	S636 Y638 A643 A644	S636-A640 WeakPolarHBondContact O-CB 3.36Å; S636-A640 PolarHBondContact O-N 3.32Å; S636-A640 VanDerWaalsContact O-N 3.16Å; Y638-A640 PolarHBondContact O-N 2.8Å; A640-A643 PolarHBondContact O-N 3.23Å; A640-A644 PolarHBondContact O-N 3.14Å; A640-A644 VanDerWaalsContact O-N 3.12Å
641	N	86.3	Confident	80.7	Confident	71 Å²	71	74 Å²	74	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-66.4	-38.4	179.2	-74.4	-1.9	0	0	0	112.2	P542 S637 Y638 A643 A644 F645	P542-N641 HydrophobicContact CB-CB 3.82Å; P542-N641 PolarHBondContact O-ND2 2.91Å; S637-N641 WeakPolarHBondContact O-CB 3.44Å; S637-N641 PolarHBondContact O-N 2.84Å; Y638-N641 PolarHBondContact O-N 3.37Å; N641-A643 VanDerWaalsContact C-N 3.34Å; N641-A643 PolarHBondContact O-N 3.48Å; N641-A644 PolarHBondContact O-N 2.89Å; N641-F645 WeakPolarHBondContact O-CB 3.33Å; N641-F645 PolarHBondContact O-N 3.31Å
642	L	82.9	Confident	79.7	Confident	43 Å²	43	78.9 Å²	78.9	23%	0.225	44%	0.438	C	S	.	.	H	α-helix	trans	-61.7	-41.8	176.4	179.9	64.6	0	0	0	111.4	P542 Y638 F645 L646	P542-L642 HydrophobicContact CB-CB 4.42Å; P542-L642 HydrophobicContact CG-CB 4.04Å; P542-L642 HydrophobicContact CG-CD1 3.83Å; Y638-L642 HydrophobicContact CE1-CD2 4.05Å; Y638-L642 VanDerWaalsContact O-CB 3.24Å; Y638-L642 WeakPolarHBondContact O-CB 3.5Å; Y638-L642 PolarHBondContact O-N 2.8Å; L642-F645 PolarHBondContact O-N 3.22Å; L642-L646 HydrophobicContact CD1-CD1 4.03Å; L642-L646 HydrophobicContact CD1-CG 4.23Å; L642-L646 HydrophobicContact CG-CD1 4Å; L642-L646 WeakPolarHBondContact O-CB 3.46Å; L642-L646 VanDerWaalsContact O-CG 3.28Å; L642-L646 WeakPolarHBondContact O-CG 3.48Å; L642-L646 PolarHBondContact O-N 3.24Å
643	A	76.8	Confident	79	Confident	58 Å²	58	75.9 Å²	75.9	48%	0.479	42%	0.424	S	S	.	.	H	α-helix	trans	-64.2	-39.3	175	0	0	0	0	0	112.5	T639 A640 N641 T647	T639-A643 PolarHBondContact O-N 3.16Å; T639-A643 VanDerWaalsContact O-N 3.13Å; A640-A643 PolarHBondContact O-N 3.23Å; N641-A643 VanDerWaalsContact C-N 3.34Å; N641-A643 PolarHBondContact O-N 3.48Å; A643-T647 WeakPolarHBondContact O-CG2 3.38Å; A643-T647 PolarHBondContact O-N 3.19Å; A643-T647 PolarHBondContact O-OG1 3.28Å
644	A	78.8	Confident	78.3	Confident	54 Å²	54	76.3 Å²	76.3	45%	0.446	43%	0.433	S	S	.	.	H	α-helix	trans	-67.9	-39.4	175	0	0	0	0	0	112.5	A640 N641 T647 V648	A640-A644 PolarHBondContact O-N 3.14Å; A640-A644 VanDerWaalsContact O-N 3.12Å; N641-A644 PolarHBondContact O-N 2.89Å; A644-T647 WeakPolarHBondContact CA-OG1 3.28Å; A644-T647 PolarHBondContact O-N 3.47Å; A644-T647 PolarHBondContact O-OG1 3.12Å; A644-V648 PolarHBondContact O-N 3.19Å
645	F	74.6	Confident	78	Confident	96 Å²	96	75 Å²	75	42%	0.421	43%	0.426	S	S	.	.	H	α-helix	trans	-68.6	-41.1	179.7	-162.8	-95.9	0	0	0	111.9	D541 N641 L642 T647 V648	D541-F645 HydrophobicContact CB-CE1 4.22Å; D541-F645 HydrophobicContact CB-CE2 4.23Å; D541-F645 HydrophobicContact CB-CZ 3.85Å; N641-F645 WeakPolarHBondContact O-CB 3.33Å; N641-F645 PolarHBondContact O-N 3.31Å; L642-F645 PolarHBondContact O-N 3.22Å; F645-T647 VanDerWaalsContact C-N 3.26Å; F645-T647 PolarHBondContact O-N 2.93Å; F645-V648 PolarHBondContact O-N 3.29Å
646	L	71.8	Confident	77.8	Confident	71 Å²	71	80.2 Å²	80.2	37%	0.372	45%	0.45	S	S	.	.	H	α-helix	trans	-70	-17.6	176.9	-70.6	172	0	0	0	114.1	L642 L809	L642-L646 HydrophobicContact CD1-CD1 4.03Å; L642-L646 HydrophobicContact CD1-CG 4.23Å; L642-L646 HydrophobicContact CG-CD1 4Å; L642-L646 WeakPolarHBondContact O-CB 3.46Å; L642-L646 VanDerWaalsContact O-CG 3.28Å; L642-L646 WeakPolarHBondContact O-CG 3.48Å; L642-L646 PolarHBondContact O-N 3.24Å; L646-L809 HydrophobicContact CD1-CD1 3.98Å; L646-L809 HydrophobicContact CD2-CD1 3.72Å; L646-L809 HydrophobicContact CG-CD1 4.47Å
647	T	69.1	Low	77.8	Confident	112 Å²	112	79 Å²	79	69%	0.687	44%	0.441	S	S	*	.	H	α-helix	trans	-95.2	-15.8	177.6	46	0	0	0	0	113.8	A643 A644 F645	A643-T647 WeakPolarHBondContact O-CG2 3.38Å; A643-T647 PolarHBondContact O-N 3.19Å; A643-T647 PolarHBondContact O-OG1 3.28Å; A644-T647 WeakPolarHBondContact CA-OG1 3.28Å; A644-T647 PolarHBondContact O-N 3.47Å; A644-T647 PolarHBondContact O-OG1 3.12Å; F645-T647 VanDerWaalsContact C-N 3.26Å; F645-T647 PolarHBondContact O-N 2.93Å
648	V	65	Low	77.7	Confident	81 Å²	81	77 Å²	77	49%	0.491	43%	0.428	S	S	.	.			trans	-125.3	77.2	-173.6	-167.6	0	0	0	0	112.2	A644 F645 R650	A644-V648 PolarHBondContact O-N 3.19Å; F645-V648 PolarHBondContact O-N 3.29Å; V648-R650 HydrophobicContact CG1-CG 3.81Å; V648-R650 PolarHBondContact O-N 2.75Å
649	E	63.5	Low	77.6	Confident	103 Å²	103	79.2 Å²	79.2	48%	0.481	44%	0.44	S	S	.	.			trans	-69.7	87	168.2	-66.3	-172.7	162.6	0	0	111.2	K531	K531-E649 HydrophobicContact CD-CB 4.17Å; K531-E649 WeakPolarHBondContact CD-OE2 3.39Å
650	R	60.1	Low	77.7	Confident	200 Å²	200	78 Å²	78	76%	0.755	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-72.4	131.1	175.5	-63.7	-167.2	177	179.1	0	111.3	V648	V648-R650 HydrophobicContact CG1-CG 3.81Å; V648-R650 PolarHBondContact O-N 2.75Å
651	M	61.9	Low	77.8	Confident	103 Å²	103	75.1 Å²	75.1	51%	0.507	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-76.1	121.9	165.6	-73.2	174.4	-79.8	0	0	109.2	P529 K531	P529-M651 HydrophobicContact CG-CB 4.45Å; K531-M651 HydrophobicContact CG-CG 4.32Å
652	V	70.1	Confident	78	Confident	110 Å²	110	72.1 Å²	72.1	67%	0.667	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-102	128.2	174	-175.7	0	0	0	0	108.9
653	S	74.3	Confident	78.4	Confident	28 Å²	28	76.4 Å²	76.4	20%	0.196	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-87.9	134.2	171.9	-175.1	0	0	0	0	109.8	I655	S653-I655 PolarHBondContact O-N 2.76Å; S653-I655 PolarHBondContact OG-N 2.76Å; S653-I655 PolarHBondContact OG-O 2.63Å
654	P	77.7	Confident	79	Confident	98 Å²	98	76 Å²	76	64%	0.636	40%	0.397	S	S	*	.	S	Bend	trans	-76.8	-8.3	173.5	32.2	-35.7	0	0	0	113.5	I667	P654-I667 HydrophobicContact CG-CD1 4.34Å
655	I	85.1	Confident	79.5	Confident	4 Å²	4	79.1 Å²	79.1	2%	0.021	41%	0.411	C	S	.	.			trans	-137.1	129.5	-179.2	-59.1	163.9	0	0	0	108.7	I526 S653 S657 D660 L661 I667 V745	I526-I655 HydrophobicContact CG2-CD1 4.26Å; S653-I655 PolarHBondContact O-N 2.76Å; S653-I655 PolarHBondContact OG-N 2.76Å; S653-I655 PolarHBondContact OG-O 2.63Å; I655-S657 WeakPolarHBondContact CG2-O 3.29Å; I655-D660 HydrophobicContact CG2-CB 4.39Å; I655-L661 HydrophobicContact CD1-CD2 3.51Å; I655-L661 HydrophobicContact CD1-CG 4.26Å; I655-L661 HydrophobicContact CG1-CD2 4.43Å; I655-L661 HydrophobicContact CG2-CG 4.14Å; I655-I667 HydrophobicContact CD1-CB 4.4Å; I655-I667 HydrophobicContact CD1-CD1 3.55Å; I655-I667 HydrophobicContact CD1-CG2 4.01Å; I655-I667 HydrophobicContact CG1-CD1 4.07Å; I655-V745 HydrophobicContact CG2-CG2 4.36Å
656	E	86.3	Confident	80.2	Confident	145 Å²	145	80.9 Å²	80.9	68%	0.678	42%	0.421	S	S	*	.			trans	-114.9	-29	171.5	-61	-169.8	163.7	0	0	112.2	D660 G746	E656-D660 PolarHBondContact N-OD2 3.15Å; E656-G746 WeakPolarHBondContact O-CA 3.44Å; E656-G746 PolarHBondContact O-N 3.49Å
657	S	89.9	Confident	81.1	Confident	39 Å²	39	78.5 Å²	78.5	27%	0.273	41%	0.408	S	S	.	.	S	Bend	trans	-130.2	166.6	-175.1	79	0	0	0	0	114.4	I655 E659 D660	I655-S657 WeakPolarHBondContact CG2-O 3.29Å; S657-E659 VanDerWaalsContact C-N 3.27Å; S657-E659 PolarHBondContact O-N 2.84Å; S657-E659 PolarHBondContact OG-N 2.96Å; S657-D660 WeakPolarHBondContact CB-OD2 3.43Å; S657-D660 PolarHBondContact N-OD2 3.05Å; S657-D660 PolarHBondContact O-N 2.86Å; S657-D660 PolarHBondContact OG-N 3.17Å; S657-D660 PolarHBondContact OG-OD1 2.87Å; S657-D660 PolarHBondContact OG-OD2 3.21Å
658	A	89.2	Confident	82.3	Confident	13 Å²	13	74.3 Å²	74.3	11%	0.107	39%	0.385	C	S	.	.	H	α-helix	trans	-69.1	-24.5	170.8	0	0	0	0	0	113.1	I524 D660 A662 Y689 M692 L749	I524-A658 HydrophobicContact CD1-CB 4.17Å; A658-D660 VanDerWaalsContact C-N 3.33Å; A658-A662 PolarHBondContact O-N 3.06Å; A658-Y689 HydrophobicContact CB-CE1 4.43Å; A658-M692 HydrophobicContact CB-SD 4.43Å; A658-L749 HydrophobicContact CB-CD2 3.39Å; A658-L749 HydrophobicContact CB-CG 4.2Å
659	E	90.1	Very high	83.7	Confident	98 Å²	98	70.7 Å²	70.7	46%	0.458	36%	0.362	S	S	.	.	H	α-helix	trans	-68.1	-36.8	175.3	-60.7	-168.6	179	0	0	111.6	S657 A662 K663 V688	S657-E659 VanDerWaalsContact C-N 3.27Å; S657-E659 PolarHBondContact O-N 2.84Å; S657-E659 PolarHBondContact OG-N 2.96Å; E659-A662 CarbonylContact O-C 3.3Å; E659-A662 WeakPolarHBondContact O-CA 3.43Å; E659-A662 PolarHBondContact O-N 3.09Å; E659-K663 WeakPolarHBondContact O-CD 3.49Å; E659-K663 VanDerWaalsContact O-CG 3.25Å; E659-K663 WeakPolarHBondContact O-CG 3.23Å; E659-K663 PolarHBondContact O-N 3.36Å; E659-K663 IonicContact OE2-NZ 2.6Å; E659-K663 PolarHBondContact OE2-NZ 2.81Å; E659-V688 HydrophobicContact CG-CG1 4.27Å; E659-V688 HydrophobicContact CG-CG2 4.32Å
660	D	90.5	Very high	85.2	Confident	51 Å²	51	65.8 Å²	65.8	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-47.7	179.6	-52.3	-39.3	0	0	0	109.4	I655 E656 S657 A658 A662 K663 Q664	I655-D660 HydrophobicContact CG2-CB 4.39Å; E656-D660 PolarHBondContact N-OD2 3.15Å; S657-D660 WeakPolarHBondContact CB-OD2 3.43Å; S657-D660 PolarHBondContact N-OD2 3.05Å; S657-D660 PolarHBondContact O-N 2.86Å; S657-D660 PolarHBondContact OG-N 3.17Å; S657-D660 PolarHBondContact OG-OD1 2.87Å; S657-D660 PolarHBondContact OG-OD2 3.21Å; A658-D660 VanDerWaalsContact C-N 3.33Å; D660-A662 PolarHBondContact O-N 2.84Å; D660-K663 PolarHBondContact O-N 3.39Å; D660-K663 IonicContact OD1-NZ 2.8Å; D660-Q664 WeakPolarHBondContact O-CG 3.31Å; D660-Q664 PolarHBondContact O-N 2.86Å; D660-Q664 VanDerWaalsContact O-N 3.12Å
661	L	89.8	Confident	86.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-52	-40.5	170.8	-77.2	178.1	0	0	0	112.8	I524 I655 Q664 I667 Y669 M692 A723 L725	I524-L661 HydrophobicContact CD1-CD1 3.9Å; I524-L661 HydrophobicContact CG1-CD1 4.27Å; I524-L661 HydrophobicContact CG2-CD1 3.93Å; I655-L661 HydrophobicContact CD1-CD2 3.51Å; I655-L661 HydrophobicContact CD1-CG 4.26Å; I655-L661 HydrophobicContact CG1-CD2 4.43Å; I655-L661 HydrophobicContact CG2-CG 4.14Å; L661-Q664 PolarHBondContact O-NE2 2.74Å; L661-Q664 VanDerWaalsContact O-NE2 3.12Å; L661-Q664 VanDerWaalsContact O-O 3.12Å; L661-I667 HydrophobicContact CD2-CG2 4.32Å; L661-Y669 HydrophobicContact CB-CD1 4.13Å; L661-Y669 HydrophobicContact CB-CE1 4.18Å; L661-Y669 HydrophobicContact CD2-CD1 3.97Å; L661-Y669 HydrophobicContact CD2-CG 4.5Å; L661-Y669 HydrophobicContact CG-CD1 4.48Å; L661-Y669 WeakPolarHBondContact O-CE1 3.46Å; L661-M692 HydrophobicContact CB-CE 4.41Å; L661-M692 HydrophobicContact CD1-CE 4.3Å; L661-A723 HydrophobicContact CD1-CB 4.43Å; L661-A723 HydrophobicContact CD2-CB 4.09Å; L661-L725 HydrophobicContact CD1-CD2 4.43Å
662	A	90.6	Very high	88.1	Confident	8 Å²	8	52.5 Å²	52.5	7%	0.066	29%	0.285	C	S	.	.	H	α-helix	trans	-79	-18.5	-179.9	0	0	0	0	0	114	A658 E659 D660 V688 K691 M692	A658-A662 PolarHBondContact O-N 3.06Å; E659-A662 CarbonylContact O-C 3.3Å; E659-A662 WeakPolarHBondContact O-CA 3.43Å; E659-A662 PolarHBondContact O-N 3.09Å; D660-A662 PolarHBondContact O-N 2.84Å; A662-V688 HydrophobicContact CB-CG1 3.93Å; A662-K691 VanDerWaalsContact O-CE 3.3Å; A662-K691 WeakPolarHBondContact O-CE 3.43Å; A662-K691 PolarHBondContact O-NZ 3.46Å; A662-M692 HydrophobicContact CB-CG 3.85Å
663	K	90.9	Very high	88.7	Confident	133 Å²	133	50.7 Å²	50.7	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-83.2	-36.7	176.4	-72.5	160.1	-168.7	159.3	0	111.6	E659 D660	E659-K663 WeakPolarHBondContact O-CD 3.49Å; E659-K663 VanDerWaalsContact O-CG 3.25Å; E659-K663 WeakPolarHBondContact O-CG 3.23Å; E659-K663 PolarHBondContact O-N 3.36Å; E659-K663 IonicContact OE2-NZ 2.6Å; E659-K663 PolarHBondContact OE2-NZ 2.81Å; D660-K663 PolarHBondContact O-N 3.39Å; D660-K663 IonicContact OD1-NZ 2.8Å
664	Q	89.8	Confident	88.7	Confident	50 Å²	50	52.9 Å²	52.9	23%	0.234	29%	0.287	C	S	.	.			trans	-99.7	168.9	-177	67.2	79.7	52.1	0	0	113.9	D660 L661 I667	D660-Q664 WeakPolarHBondContact O-CG 3.31Å; D660-Q664 PolarHBondContact O-N 2.86Å; D660-Q664 VanDerWaalsContact O-N 3.12Å; L661-Q664 PolarHBondContact O-NE2 2.74Å; L661-Q664 VanDerWaalsContact O-NE2 3.12Å; L661-Q664 VanDerWaalsContact O-O 3.12Å; Q664-I667 PolarHBondContact NE2-O 3.19Å
665	T	88.4	Confident	88.7	Confident	119 Å²	119	49 Å²	49	73%	0.73	26%	0.264	S	S	*	.	S	Bend	trans	-134.9	5.5	177.6	60	0	0	0	0	114.5
666	E	89.3	Confident	88.7	Confident	133 Å²	133	50.1 Å²	50.1	62%	0.621	27%	0.272	S	S	*	.	S	Bend	trans	-80.2	-35.2	-177.7	-178	177.6	-179.7	0	0	112.7	K721	E666-K721 HydrophobicContact CG-CD 4.12Å; E666-K721 IonicContact OE1-NZ 3.73Å; E666-K721 PolarHBondContact OE1-NZ 3.25Å
667	I	91.9	Very high	88.8	Confident	21 Å²	21	43.6 Å²	43.6	11%	0.108	24%	0.243	C	C	.	.	S	Bend	trans	-101.6	106.8	176.7	-58.2	175.2	0	0	0	106.8	P654 I655 L661 Q664 K721 A723	P654-I667 HydrophobicContact CG-CD1 4.34Å; I655-I667 HydrophobicContact CD1-CB 4.4Å; I655-I667 HydrophobicContact CD1-CD1 3.55Å; I655-I667 HydrophobicContact CD1-CG2 4.01Å; I655-I667 HydrophobicContact CG1-CD1 4.07Å; L661-I667 HydrophobicContact CD2-CG2 4.32Å; Q664-I667 PolarHBondContact NE2-O 3.19Å; I667-K721 WeakPolarHBondContact CA-O 3.3Å; I667-A723 HydrophobicContact CG2-CB 4.24Å
668	A	94.3	Very high	88.8	Confident	24 Å²	24	44 Å²	44	20%	0.198	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	154	176	0	0	0	0	0	110.8	Y695 K721 F722 A723	A668-Y695 WeakPolarHBondContact CA-OH 3.34Å; A668-Y695 VanDerWaalsContact CB-OH 3.32Å; A668-Y695 WeakPolarHBondContact CB-OH 3.27Å; A668-K721 PolarHBondContact N-O 3.44Å; A668-F722 HydrophobicContact CB-CD2 3.99Å; A668-F722 CarbonylContact O-C 3.52Å; A668-F722 VanDerWaalsContact O-CA 3.23Å; A668-F722 WeakPolarHBondContact O-CA 3.47Å; A668-F722 WeakPolarHBondContact O-CD2 3.28Å; A668-A723 PolarHBondContact O-N 3.32Å
669	Y	94.9	Very high	88.7	Confident	5 Å²	5	46.3 Å²	46.3	2%	0.02	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.6	178.9	52.9	-90.6	0	0	0	112.6	L661 M692 Y695 M696 V703 A723 L725	L661-Y669 HydrophobicContact CB-CD1 4.13Å; L661-Y669 HydrophobicContact CB-CE1 4.18Å; L661-Y669 HydrophobicContact CD2-CD1 3.97Å; L661-Y669 HydrophobicContact CD2-CG 4.5Å; L661-Y669 HydrophobicContact CG-CD1 4.48Å; L661-Y669 WeakPolarHBondContact O-CE1 3.46Å; Y669-M692 HydrophobicContact CD2-CE 3.79Å; Y669-M692 HydrophobicContact CE2-CB 3.8Å; Y669-M692 HydrophobicContact CE2-CE 3.67Å; Y669-M692 HydrophobicContact CE2-CG 3.85Å; Y669-Y695 HydrophobicContact CD1-CD1 4.39Å; Y669-Y695 HydrophobicContact CD1-CE1 4.06Å; Y669-Y695 HydrophobicContact CD2-CD1 4.13Å; Y669-Y695 HydrophobicContact CD2-CE1 4.28Å; Y669-Y695 AromaticContact CE1-CD1 3.82Å; Y669-Y695 HydrophobicContact CE1-CD1 3.82Å; Y669-Y695 AromaticContact CE1-CE1 3.84Å; Y669-Y695 HydrophobicContact CE1-CE1 3.84Å; Y669-Y695 HydrophobicContact CE1-CG 4.48Å; Y669-Y695 AromaticContact CE2-CD1 3.52Å; Y669-Y695 HydrophobicContact CE2-CD1 3.52Å; Y669-Y695 HydrophobicContact CE2-CE1 4.07Å; Y669-Y695 HydrophobicContact CE2-CG 4.41Å; Y669-Y695 HydrophobicContact CG-CE1 4.29Å; Y669-Y695 AromaticContact CZ-CD1 3.35Å; Y669-Y695 AromaticContact CZ-CE1 3.85Å; Y669-Y695 AromaticContact CZ-CG 3.95Å; Y669-M696 HydrophobicContact CD2-CG 4.03Å; Y669-M696 HydrophobicContact CD2-SD 4.25Å; Y669-M696 HydrophobicContact CE2-CG 4.04Å; Y669-V703 VanDerWaalsContact O-CB 3.3Å; Y669-V703 WeakPolarHBondContact O-CB 3.22Å; Y669-V703 WeakPolarHBondContact O-CG2 3.48Å; Y669-A723 VanDerWaalsContact CA-O 3.25Å; Y669-A723 WeakPolarHBondContact CA-O 3.44Å; Y669-L725 HydrophobicContact CD2-CD1 4.29Å
670	G	94.6	Very high	88.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	172.7	-177.3	0	0	0	0	0	114.2	A723 F724 L725	G670-A723 PolarHBondContact N-O 3.01Å; G670-F724 WeakPolarHBondContact O-CD2 3.35Å; G670-L725 PolarHBondContact O-N 2.75Å
671	T	94	Very high	88.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	174.9	-175.7	71.1	0	0	0	0	111.4	T677 F681 M696 F704 T705 L725	T671-T677 HydrophobicContact CG2-CG2 3.62Å; T671-F681 HydrophobicContact CG2-CD2 3.96Å; T671-F681 HydrophobicContact CG2-CE2 4.08Å; T671-M696 HydrophobicContact CG2-CE 4.5Å; T671-M696 HydrophobicContact CG2-SD 3.95Å; T671-F704 VanDerWaalsContact O-CA 3.3Å; T671-F704 WeakPolarHBondContact O-CA 3.43Å; T671-F704 WeakPolarHBondContact OG1-CD1 3.3Å; T671-F704 WeakPolarHBondContact OG1-CE1 3.4Å; T671-T705 PolarHBondContact O-N 2.87Å; T671-T705 VanDerWaalsContact O-N 3.12Å; T671-L725 HydrophobicContact CG2-CB 3.85Å; T671-L725 HydrophobicContact CG2-CD1 4.18Å
672	L	89.4	Confident	88.9	Confident	24 Å²	24	49 Å²	49	13%	0.126	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-62.4	140.3	164.7	-166.1	74.1	0	0	0	111.3	T707	L672-T707 VanDerWaalsContact CD1-C 3.43Å
673	D	82.8	Confident	88.8	Confident	72 Å²	72	55.5 Å²	55.5	39%	0.385	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-28.4	-173.1	-171.2	44.4	0	0	0	114.5	K678 F704 T705	D673-K678 WeakPolarHBondContact O-CD 3.27Å; D673-K678 PolarHBondContact O-NZ 2.85Å; D673-K678 IonicContact OD1-NZ 3.04Å; D673-K678 PolarHBondContact OD1-NZ 3.32Å; D673-F704 HydrophobicContact CB-CB 4.13Å; D673-T705 WeakPolarHBondContact CB-O 3.3Å; D673-T705 PolarHBondContact N-O 2.91Å
674	S	73.9	Confident	88.9	Confident	74 Å²	74	50.1 Å²	50.1	52%	0.517	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	25.7	-178.4	56.9	0	0	0	0	113.2
675	G	77.1	Confident	89	Confident	15 Å²	15	56.1 Å²	56.1	16%	0.155	28%	0.279	C	S	.	.	S	Bend	trans	-99.3	160	-177.2	0	0	0	0	0	115.4	T677 K678	G675-T677 PolarHBondContact O-N 2.94Å; G675-K678 PolarHBondContact O-N 2.92Å
676	S	84.1	Confident	89.2	Confident	28 Å²	28	55 Å²	55	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-34.3	172.6	55.9	0	0	0	0	112.5	T502 K678 E679 F680	T502-S676 PolarHBondContact OG1-OG 2.85Å; S676-K678 PolarHBondContact O-N 3.39Å; S676-E679 PolarHBondContact O-N 3.34Å; S676-F680 WeakPolarHBondContact O-CB 3.45Å; S676-F680 PolarHBondContact O-N 3.15Å
677	T	90.1	Very high	89.4	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-58.3	-40.5	175.7	-51.5	0	0	0	0	113.2	I522 T671 G675 F680 F681	I522-T677 HydrophobicContact CD1-CG2 3.89Å; I522-T677 HydrophobicContact CG1-CG2 3.95Å; I522-T677 HydrophobicContact CG2-CG2 3.79Å; T671-T677 HydrophobicContact CG2-CG2 3.62Å; G675-T677 PolarHBondContact O-N 2.94Å; T677-F680 WeakPolarHBondContact O-CB 3.4Å; T677-F680 PolarHBondContact O-N 3.45Å; T677-F681 HydrophobicContact CG2-CD2 4.13Å; T677-F681 HydrophobicContact CG2-CE2 3.84Å; T677-F681 WeakPolarHBondContact O-CD2 3.42Å; T677-F681 PolarHBondContact O-N 2.9Å
678	K	89.5	Confident	89.5	Confident	48 Å²	48	53 Å²	53	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-45.9	179.4	-174.5	-177.4	177.1	-177	0	111.5	D673 G675 S676 F680 F681 R682 W693 F704	D673-K678 WeakPolarHBondContact O-CD 3.27Å; D673-K678 PolarHBondContact O-NZ 2.85Å; D673-K678 IonicContact OD1-NZ 3.04Å; D673-K678 PolarHBondContact OD1-NZ 3.32Å; G675-K678 PolarHBondContact O-N 2.92Å; S676-K678 PolarHBondContact O-N 3.39Å; K678-F680 VanDerWaalsContact C-N 3.3Å; K678-F680 PolarHBondContact O-N 2.96Å; K678-F681 PolarHBondContact O-N 3.44Å; K678-R682 WeakPolarHBondContact O-CB 3.39Å; K678-R682 PolarHBondContact O-N 3.37Å; K678-W693 HydrophobicContact CG-CH2 4.08Å; K678-W693 HydrophobicContact CG-CZ3 3.79Å; K678-F704 HydrophobicContact CD-CD1 4.16Å; K678-F704 HydrophobicContact CD-CE1 4.07Å; K678-F704 HydrophobicContact CG-CD1 4.36Å; K678-F704 HydrophobicContact CG-CE1 3.88Å
679	E	87.3	Confident	89.5	Confident	61 Å²	61	53.5 Å²	53.5	29%	0.285	27%	0.27	S	S	.	.	H	α-helix	trans	-69.2	-29.1	178.6	-168.6	68.4	-174.5	0	0	111.7	S676 R682 R683	S676-E679 PolarHBondContact O-N 3.34Å; E679-R682 PolarHBondContact O-N 2.92Å; E679-R682 IonicContact OE1-NH1 2.65Å; E679-R682 WeakPolarHBondContact OE2-CD 3.1Å; E679-R682 IonicContact OE2-CZ 3.99Å; E679-R682 IonicContact OE2-NE 3.96Å; E679-R682 IonicContact OE2-NH1 3.94Å; E679-R682 PolarHBondContact OE2-NH1 2.84Å; E679-R683 HydrophobicContact CG-CG 4.41Å; E679-R683 WeakPolarHBondContact O-CB 3.34Å; E679-R683 WeakPolarHBondContact O-CG 3.35Å; E679-R683 PolarHBondContact O-N 2.82Å; E679-R683 IonicContact OE1-CZ 2.81Å; E679-R683 VanDerWaalsContact OE1-CZ 3.23Å; E679-R683 IonicContact OE1-NE 3.38Å; E679-R683 PolarHBondContact OE1-NE 3.4Å; E679-R683 IonicContact OE1-NH2 3.83Å; E679-R683 PolarHBondContact OE1-NH2 3.01Å
680	F	91.3	Very high	89.4	Confident	51 Å²	51	57.8 Å²	57.8	22%	0.224	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-54.5	169	169.3	-90.2	0	0	0	111.5	I522 S676 T677 K678 R682 R683 S684 Y689 D750	I522-F680 HydrophobicContact CD1-CB 4.28Å; I522-F680 HydrophobicContact CD1-CD1 3.29Å; I522-F680 HydrophobicContact CD1-CD2 4.36Å; I522-F680 HydrophobicContact CD1-CE1 3.58Å; I522-F680 HydrophobicContact CD1-CG 3.73Å; I522-F680 HydrophobicContact CD1-CZ 4.21Å; S676-F680 WeakPolarHBondContact O-CB 3.45Å; S676-F680 PolarHBondContact O-N 3.15Å; T677-F680 WeakPolarHBondContact O-CB 3.4Å; T677-F680 PolarHBondContact O-N 3.45Å; K678-F680 VanDerWaalsContact C-N 3.3Å; K678-F680 PolarHBondContact O-N 2.96Å; F680-R682 VanDerWaalsContact C-N 3.31Å; F680-R682 PolarHBondContact O-N 2.96Å; F680-R683 PolarHBondContact O-N 2.92Å; F680-S684 WeakPolarHBondContact O-CB 3.36Å; F680-S684 PolarHBondContact O-N 2.88Å; F680-Y689 AromaticContact CE1-CD2 3.9Å; F680-Y689 HydrophobicContact CE1-CD2 3.9Å; F680-Y689 HydrophobicContact CE1-CE2 4.12Å; F680-Y689 AromaticContact CZ-CD2 3.91Å; F680-Y689 HydrophobicContact CZ-CD2 3.91Å; F680-Y689 AromaticContact CZ-CE2 3.87Å; F680-Y689 HydrophobicContact CZ-CE2 3.87Å; F680-D750 HydrophobicContact CE2-CB 4.04Å; F680-D750 WeakPolarHBondContact CE2-OD2 3.36Å; F680-D750 HydrophobicContact CZ-CB 4.17Å
681	F	92.2	Very high	89.4	Confident	1 Å²	1	63.4 Å²	63.4	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-37.7	178.4	-76.2	-70.1	0	0	0	112.1	I522 T671 T677 K678 R683 Y689 M692 W693 M696 L725 L749	I522-F681 HydrophobicContact CD1-CE2 4.23Å; I522-F681 HydrophobicContact CG2-CE2 4.48Å; T671-F681 HydrophobicContact CG2-CD2 3.96Å; T671-F681 HydrophobicContact CG2-CE2 4.08Å; T677-F681 HydrophobicContact CG2-CD2 4.13Å; T677-F681 HydrophobicContact CG2-CE2 3.84Å; T677-F681 WeakPolarHBondContact O-CD2 3.42Å; T677-F681 PolarHBondContact O-N 2.9Å; K678-F681 PolarHBondContact O-N 3.44Å; F681-R683 PolarHBondContact O-N 3.43Å; F681-Y689 HydrophobicContact CD1-CG 4.41Å; F681-Y689 HydrophobicContact CE1-CD1 4.07Å; F681-Y689 HydrophobicContact CE1-CG 4.07Å; F681-M692 HydrophobicContact CE1-CE 4.46Å; F681-M692 HydrophobicContact CE1-SD 4.18Å; F681-W693 HydrophobicContact CB-CB 4.21Å; F681-W693 HydrophobicContact CB-CD2 4.43Å; F681-W693 HydrophobicContact CB-CE3 3.83Å; F681-W693 WeakPolarHBondContact O-CB 3.43Å; F681-M696 HydrophobicContact CB-CE 3.85Å; F681-M696 HydrophobicContact CD1-CE 4.06Å; F681-M696 HydrophobicContact CD2-CE 3.83Å; F681-M696 HydrophobicContact CE2-CE 4.43Å; F681-M696 HydrophobicContact CG-CE 3.64Å; F681-L725 HydrophobicContact CE2-CD1 3.84Å; F681-L725 HydrophobicContact CZ-CD1 3.9Å; F681-L749 HydrophobicContact CZ-CD2 4.37Å
682	R	90.3	Very high	89.4	Confident	153 Å²	153	63.4 Å²	63.4	58%	0.577	32%	0.315	S	S	*	.	H	α-helix	trans	-63.4	-34.4	176	-171.9	-172	-174.3	-172.3	3.2	114.4	K678 E679 F680 W693	K678-R682 WeakPolarHBondContact O-CB 3.39Å; K678-R682 PolarHBondContact O-N 3.37Å; E679-R682 PolarHBondContact O-N 2.92Å; E679-R682 IonicContact OE1-NH1 2.65Å; E679-R682 WeakPolarHBondContact OE2-CD 3.1Å; E679-R682 IonicContact OE2-CZ 3.99Å; E679-R682 IonicContact OE2-NE 3.96Å; E679-R682 IonicContact OE2-NH1 3.94Å; E679-R682 PolarHBondContact OE2-NH1 2.84Å; F680-R682 VanDerWaalsContact C-N 3.31Å; F680-R682 PolarHBondContact O-N 2.96Å; R682-W693 HydrophobicContact CB-CD2 4.11Å; R682-W693 HydrophobicContact CB-CE3 4.33Å; R682-W693 HydrophobicContact CB-CH2 3.93Å; R682-W693 HydrophobicContact CB-CZ2 3.67Å; R682-W693 HydrophobicContact CB-CZ3 4.25Å; R682-W693 HydrophobicContact CG-CH2 4.22Å; R682-W693 HydrophobicContact CG-CZ2 3.57Å
683	R	89.7	Confident	89.7	Confident	145 Å²	145	64.2 Å²	64.2	55%	0.547	32%	0.316	S	S	.	.	H	α-helix	trans	-95.5	-14.8	-178.8	-68.2	-172.7	-172.6	-157.6	2.4	114	E679 F680 F681	E679-R683 HydrophobicContact CG-CG 4.41Å; E679-R683 WeakPolarHBondContact O-CB 3.34Å; E679-R683 WeakPolarHBondContact O-CG 3.35Å; E679-R683 PolarHBondContact O-N 2.82Å; E679-R683 IonicContact OE1-CZ 2.81Å; E679-R683 VanDerWaalsContact OE1-CZ 3.23Å; E679-R683 IonicContact OE1-NE 3.38Å; E679-R683 PolarHBondContact OE1-NE 3.4Å; E679-R683 IonicContact OE1-NH2 3.83Å; E679-R683 PolarHBondContact OE1-NH2 3.01Å; F680-R683 PolarHBondContact O-N 2.92Å; F681-R683 PolarHBondContact O-N 3.43Å
684	S	91.6	Very high	90.2	Very high	19 Å²	19	64.8 Å²	64.8	13%	0.133	32%	0.322	C	S	.	.			trans	-59.5	147.4	-175.2	-164.1	0	0	0	0	112.3	F680 I686	F680-S684 WeakPolarHBondContact O-CB 3.36Å; F680-S684 PolarHBondContact O-N 2.88Å; S684-I686 PolarHBondContact OG-N 2.89Å
685	K	92	Very high	91.2	Very high	176 Å²	176	64 Å²	64	77%	0.765	31%	0.308	S	S	*	.			trans	-117.2	8.3	177	-62.1	-60.1	-178.8	-174.9	0	112.9
686	I	92.9	Very high	92.1	Very high	96 Å²	96	63.4 Å²	63.4	49%	0.492	30%	0.302	S	S	.	.	S	Bend	trans	-86.6	123.2	176.1	-61.2	173	0	0	0	107.5	S684 V688 Y689 E690	S684-I686 PolarHBondContact OG-N 2.89Å; I686-V688 VanDerWaalsContact C-N 3.25Å; I686-V688 PolarHBondContact O-N 2.69Å; I686-V688 VanDerWaalsContact O-N 3.11Å; I686-Y689 HydrophobicContact CB-CD2 3.91Å; I686-Y689 HydrophobicContact CB-CE2 4.5Å; I686-Y689 HydrophobicContact CB-CG 4.3Å; I686-Y689 HydrophobicContact CD1-CD2 3.92Å; I686-Y689 HydrophobicContact CD1-CE2 3.82Å; I686-Y689 HydrophobicContact CG1-CD2 4.42Å; I686-Y689 HydrophobicContact CG2-CD2 4.24Å; I686-Y689 HydrophobicContact CG2-CG 4.44Å; I686-Y689 WeakPolarHBondContact O-CA 3.13Å; I686-Y689 PolarHBondContact O-N 2.93Å; I686-E690 PolarHBondContact O-N 3.24Å
687	A	92.8	Very high	92.5	Very high	74 Å²	74	69.7 Å²	69.7	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-53.6	-37.2	-171	0	0	0	0	0	114.2	K691	A687-K691 WeakPolarHBondContact O-CB 3.44Å; A687-K691 PolarHBondContact O-N 3.42Å
688	V	94.1	Very high	92.6	Very high	39 Å²	39	73.4 Å²	73.4	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-47.6	174.9	-178.1	0	0	0	0	110.9	E659 A662 I686 K691 M692	E659-V688 HydrophobicContact CG-CG1 4.27Å; E659-V688 HydrophobicContact CG-CG2 4.32Å; A662-V688 HydrophobicContact CB-CG1 3.93Å; I686-V688 VanDerWaalsContact C-N 3.25Å; I686-V688 PolarHBondContact O-N 2.69Å; I686-V688 VanDerWaalsContact O-N 3.11Å; V688-K691 PolarHBondContact O-N 3.49Å; V688-M692 WeakPolarHBondContact O-CG 3.41Å; V688-M692 PolarHBondContact O-N 3.5Å
689	Y	94.5	Very high	92.8	Very high	33 Å²	33	72 Å²	72	13%	0.129	35%	0.349	C	S	.	.	H	α-helix	trans	-75	-31	-177.2	-59.6	-15.6	0	0	0	112.4	A658 F680 F681 I686 M692 W693 L749	A658-Y689 HydrophobicContact CB-CE1 4.43Å; F680-Y689 AromaticContact CE1-CD2 3.9Å; F680-Y689 HydrophobicContact CE1-CD2 3.9Å; F680-Y689 HydrophobicContact CE1-CE2 4.12Å; F680-Y689 AromaticContact CZ-CD2 3.91Å; F680-Y689 HydrophobicContact CZ-CD2 3.91Å; F680-Y689 AromaticContact CZ-CE2 3.87Å; F680-Y689 HydrophobicContact CZ-CE2 3.87Å; F681-Y689 HydrophobicContact CD1-CG 4.41Å; F681-Y689 HydrophobicContact CE1-CD1 4.07Å; F681-Y689 HydrophobicContact CE1-CG 4.07Å; I686-Y689 HydrophobicContact CB-CD2 3.91Å; I686-Y689 HydrophobicContact CB-CE2 4.5Å; I686-Y689 HydrophobicContact CB-CG 4.3Å; I686-Y689 HydrophobicContact CD1-CD2 3.92Å; I686-Y689 HydrophobicContact CD1-CE2 3.82Å; I686-Y689 HydrophobicContact CG1-CD2 4.42Å; I686-Y689 HydrophobicContact CG2-CD2 4.24Å; I686-Y689 HydrophobicContact CG2-CG 4.44Å; I686-Y689 WeakPolarHBondContact O-CA 3.13Å; I686-Y689 PolarHBondContact O-N 2.93Å; Y689-M692 HydrophobicContact CD1-SD 4.2Å; Y689-M692 PolarHBondContact O-N 2.9Å; Y689-W693 WeakPolarHBondContact O-CB 3.47Å; Y689-W693 PolarHBondContact O-N 2.87Å; Y689-L749 HydrophobicContact CD1-CD2 4.25Å; Y689-L749 HydrophobicContact CE1-CD2 3.44Å; Y689-L749 VanDerWaalsContact CE1-CD2 3.44Å; Y689-L749 WeakPolarHBondContact OH-CB 3.38Å; Y689-L749 PolarHBondContact OH-O 2.89Å
690	E	94.1	Very high	92.8	Very high	95 Å²	95	78.3 Å²	78.3	44%	0.444	38%	0.379	S	S	.	.	H	α-helix	trans	-67	-41.4	171.1	-174.2	166.4	-146.5	0	0	111.4	I686 W693 T694	I686-E690 PolarHBondContact O-N 3.24Å; E690-W693 PolarHBondContact O-N 3.32Å; E690-T694 PolarHBondContact O-N 2.99Å; E690-T694 PolarHBondContact O-OG1 3.16Å
691	K	93.7	Very high	92.8	Very high	119 Å²	119	81.1 Å²	81.1	52%	0.517	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-45.1	171.7	-168.3	-175	-177.1	-165.3	0	111.6	A662 A687 V688 W693 T694 Y695	A662-K691 VanDerWaalsContact O-CE 3.3Å; A662-K691 WeakPolarHBondContact O-CE 3.43Å; A662-K691 PolarHBondContact O-NZ 3.46Å; A687-K691 WeakPolarHBondContact O-CB 3.44Å; A687-K691 PolarHBondContact O-N 3.42Å; V688-K691 PolarHBondContact O-N 3.49Å; K691-W693 PolarHBondContact O-N 2.88Å; K691-T694 PolarHBondContact O-N 2.89Å; K691-Y695 PolarHBondContact O-N 2.89Å
692	M	94.9	Very high	92.8	Very high	0 Å²	0	84.5 Å²	84.5	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-61.1	-41.4	174.7	-70.6	179	80.5	0	0	112.3	A658 L661 A662 Y669 F681 V688 Y689 Y695 M696 L725	A658-M692 HydrophobicContact CB-SD 4.43Å; L661-M692 HydrophobicContact CB-CE 4.41Å; L661-M692 HydrophobicContact CD1-CE 4.3Å; A662-M692 HydrophobicContact CB-CG 3.85Å; Y669-M692 HydrophobicContact CD2-CE 3.79Å; Y669-M692 HydrophobicContact CE2-CB 3.8Å; Y669-M692 HydrophobicContact CE2-CE 3.67Å; Y669-M692 HydrophobicContact CE2-CG 3.85Å; F681-M692 HydrophobicContact CE1-CE 4.46Å; F681-M692 HydrophobicContact CE1-SD 4.18Å; V688-M692 WeakPolarHBondContact O-CG 3.41Å; V688-M692 PolarHBondContact O-N 3.5Å; Y689-M692 HydrophobicContact CD1-SD 4.2Å; Y689-M692 PolarHBondContact O-N 2.9Å; M692-Y695 PolarHBondContact O-N 3.05Å; M692-M696 HydrophobicContact CB-CE 4.36Å; M692-M696 WeakPolarHBondContact O-CB 3.47Å; M692-M696 WeakPolarHBondContact O-CG 3.49Å; M692-M696 PolarHBondContact O-N 2.75Å; M692-L725 HydrophobicContact CE-CD1 3.8Å
693	W	95.3	Very high	93	Very high	41 Å²	41	77.3 Å²	77.3	16%	0.155	40%	0.399	C	S	.	.	H	α-helix	trans	-65.2	-44.3	176.3	177	-113.2	0	0	0	112.5	K678 F681 R682 Y689 E690 K691 Y695 M696 K697 F704	K678-W693 HydrophobicContact CG-CH2 4.08Å; K678-W693 HydrophobicContact CG-CZ3 3.79Å; F681-W693 HydrophobicContact CB-CB 4.21Å; F681-W693 HydrophobicContact CB-CD2 4.43Å; F681-W693 HydrophobicContact CB-CE3 3.83Å; F681-W693 WeakPolarHBondContact O-CB 3.43Å; R682-W693 HydrophobicContact CB-CD2 4.11Å; R682-W693 HydrophobicContact CB-CE3 4.33Å; R682-W693 HydrophobicContact CB-CH2 3.93Å; R682-W693 HydrophobicContact CB-CZ2 3.67Å; R682-W693 HydrophobicContact CB-CZ3 4.25Å; R682-W693 HydrophobicContact CG-CH2 4.22Å; R682-W693 HydrophobicContact CG-CZ2 3.57Å; Y689-W693 WeakPolarHBondContact O-CB 3.47Å; Y689-W693 PolarHBondContact O-N 2.87Å; E690-W693 PolarHBondContact O-N 3.32Å; K691-W693 PolarHBondContact O-N 2.88Å; W693-Y695 VanDerWaalsContact C-N 3.33Å; W693-Y695 PolarHBondContact O-N 3.31Å; W693-M696 HydrophobicContact CE3-CE 4.32Å; W693-M696 PolarHBondContact O-N 2.85Å; W693-K697 VanDerWaalsContact O-CB 3.31Å; W693-K697 WeakPolarHBondContact O-CB 3.42Å; W693-K697 PolarHBondContact O-N 2.87Å; W693-F704 HydrophobicContact CH2-CZ 4.26Å; W693-F704 HydrophobicContact CZ3-CE1 4.14Å; W693-F704 AromaticContact CZ3-CZ 3.8Å; W693-F704 HydrophobicContact CZ3-CZ 3.8Å
694	T	93.9	Very high	93.2	Very high	83 Å²	83	71.9 Å²	71.9	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-58.1	-46.4	175.4	-64.7	0	0	0	0	111	E690 K691 K697 S698	E690-T694 PolarHBondContact O-N 2.99Å; E690-T694 PolarHBondContact O-OG1 3.16Å; K691-T694 PolarHBondContact O-N 2.89Å; T694-K697 PolarHBondContact O-N 3.04Å; T694-S698 PolarHBondContact O-N 2.59Å; T694-S698 PolarHBondContact O-OG 3.06Å; T694-S698 VanDerWaalsContact O-OG 3.13Å
695	Y	94.8	Very high	93.1	Very high	58 Å²	58	71 Å²	71	23%	0.227	37%	0.373	C	S	.	.	H	α-helix	trans	-57.9	-52.6	173.1	170.8	-93.9	0	0	0	112	A668 Y669 K691 M692 W693 K697 S698 A699	A668-Y695 WeakPolarHBondContact CA-OH 3.34Å; A668-Y695 VanDerWaalsContact CB-OH 3.32Å; A668-Y695 WeakPolarHBondContact CB-OH 3.27Å; Y669-Y695 HydrophobicContact CD1-CD1 4.39Å; Y669-Y695 HydrophobicContact CD1-CE1 4.06Å; Y669-Y695 HydrophobicContact CD2-CD1 4.13Å; Y669-Y695 HydrophobicContact CD2-CE1 4.28Å; Y669-Y695 AromaticContact CE1-CD1 3.82Å; Y669-Y695 HydrophobicContact CE1-CD1 3.82Å; Y669-Y695 AromaticContact CE1-CE1 3.84Å; Y669-Y695 HydrophobicContact CE1-CE1 3.84Å; Y669-Y695 HydrophobicContact CE1-CG 4.48Å; Y669-Y695 AromaticContact CE2-CD1 3.52Å; Y669-Y695 HydrophobicContact CE2-CD1 3.52Å; Y669-Y695 HydrophobicContact CE2-CE1 4.07Å; Y669-Y695 HydrophobicContact CE2-CG 4.41Å; Y669-Y695 HydrophobicContact CG-CE1 4.29Å; Y669-Y695 AromaticContact CZ-CD1 3.35Å; Y669-Y695 AromaticContact CZ-CE1 3.85Å; Y669-Y695 AromaticContact CZ-CG 3.95Å; K691-Y695 PolarHBondContact O-N 2.89Å; M692-Y695 PolarHBondContact O-N 3.05Å; W693-Y695 VanDerWaalsContact C-N 3.33Å; W693-Y695 PolarHBondContact O-N 3.31Å; Y695-K697 PolarHBondContact O-N 2.98Å; Y695-S698 CarbonylContact O-C 3.6Å; Y695-S698 PolarHBondContact O-N 3.34Å; Y695-S698 VanDerWaalsContact O-N 3.09Å; Y695-S698 PolarHBondContact O-OG 3.18Å; Y695-A699 HydrophobicContact CE1-CB 4.34Å; Y695-A699 VanDerWaalsContact O-CB 3.29Å; Y695-A699 WeakPolarHBondContact O-CB 3.49Å; Y695-A699 PolarHBondContact O-N 3.5Å
696	M	94.8	Very high	92.9	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.015	37%	0.373	C	S	.	.	H	α-helix	trans	-62	-29.7	-178.8	-72	-173.5	-74.4	0	0	112.9	Y669 T671 F681 M692 W693 V703 F704 L725	Y669-M696 HydrophobicContact CD2-CG 4.03Å; Y669-M696 HydrophobicContact CD2-SD 4.25Å; Y669-M696 HydrophobicContact CE2-CG 4.04Å; T671-M696 HydrophobicContact CG2-CE 4.5Å; T671-M696 HydrophobicContact CG2-SD 3.95Å; F681-M696 HydrophobicContact CB-CE 3.85Å; F681-M696 HydrophobicContact CD1-CE 4.06Å; F681-M696 HydrophobicContact CD2-CE 3.83Å; F681-M696 HydrophobicContact CE2-CE 4.43Å; F681-M696 HydrophobicContact CG-CE 3.64Å; M692-M696 HydrophobicContact CB-CE 4.36Å; M692-M696 WeakPolarHBondContact O-CB 3.47Å; M692-M696 WeakPolarHBondContact O-CG 3.49Å; M692-M696 PolarHBondContact O-N 2.75Å; W693-M696 HydrophobicContact CE3-CE 4.32Å; W693-M696 PolarHBondContact O-N 2.85Å; M696-V703 HydrophobicContact CB-CG2 3.94Å; M696-V703 HydrophobicContact CG-CG2 3.95Å; M696-F704 HydrophobicContact CB-CE1 4.32Å; M696-F704 HydrophobicContact CB-CZ 3.81Å; M696-F704 VanDerWaalsContact O-CE2 3.28Å; M696-F704 WeakPolarHBondContact O-CE2 3.35Å; M696-F704 HydrophobicContact SD-CE1 4.45Å; M696-L725 HydrophobicContact SD-CD1 4.4Å
697	K	93.3	Very high	92.6	Very high	160 Å²	160	71.3 Å²	71.3	70%	0.696	37%	0.371	S	S	*	.	H	α-helix	trans	-74.4	-33.3	175.7	-173.9	-173.4	173.8	-165.3	0	112.7	W693 T694 Y695	W693-K697 VanDerWaalsContact O-CB 3.31Å; W693-K697 WeakPolarHBondContact O-CB 3.42Å; W693-K697 PolarHBondContact O-N 2.87Å; T694-K697 PolarHBondContact O-N 3.04Å; Y695-K697 PolarHBondContact O-N 2.98Å
698	S	93.1	Very high	92.3	Very high	87 Å²	87	68.8 Å²	68.8	61%	0.608	35%	0.348	S	S	*	.	H	α-helix	trans	-99.1	1	-178.7	67.6	0	0	0	0	114.5	T694 Y695 E700	T694-S698 PolarHBondContact O-N 2.59Å; T694-S698 PolarHBondContact O-OG 3.06Å; T694-S698 VanDerWaalsContact O-OG 3.13Å; Y695-S698 CarbonylContact O-C 3.6Å; Y695-S698 PolarHBondContact O-N 3.34Å; Y695-S698 VanDerWaalsContact O-N 3.09Å; Y695-S698 PolarHBondContact O-OG 3.18Å; S698-E700 PolarHBondContact O-N 2.88Å
699	A	92.1	Very high	92.2	Very high	19 Å²	19	70.5 Å²	70.5	16%	0.157	37%	0.366	C	S	.	.			trans	-78.8	118.2	-174.5	0	0	0	0	0	112.3	Y695 P701 V703	Y695-A699 HydrophobicContact CE1-CB 4.34Å; Y695-A699 VanDerWaalsContact O-CB 3.29Å; Y695-A699 WeakPolarHBondContact O-CB 3.49Å; Y695-A699 PolarHBondContact O-N 3.5Å; A699-P701 CarbonylContact O-C 3.57Å; A699-V703 HydrophobicContact CB-CG1 3.65Å; A699-V703 HydrophobicContact CB-CG2 4.17Å
700	E	88.4	Confident	92	Very high	193 Å²	193	72.8 Å²	72.8	90%	0.902	38%	0.378	S	S	*	.	S	Bend	trans	-112.6	128.6	171.7	-64.3	-173.6	172.8	0	0	110	S698	S698-E700 PolarHBondContact O-N 2.88Å
701	P	89.9	Confident	92	Very high	110 Å²	110	68.3 Å²	68.3	71%	0.714	36%	0.357	S	S	*	.	S	Bend	cis	-71.7	157.6	-5.4	32.7	-36.9	0	0	0	112.5	A699 V703	A699-P701 CarbonylContact O-C 3.57Å; P701-V703 PolarHBondContact O-N 3.14Å
702	S	93.1	Very high	92	Very high	71 Å²	71	63 Å²	63	50%	0.497	34%	0.335	S	S	.	.			trans	-43.8	128	-176.9	-179.1	0	0	0	0	113.3	F704 R714	S702-F704 PolarHBondContact OG-N 3.47Å; S702-R714 PolarHBondContact O-NH1 2.89Å; S702-R714 PolarHBondContact O-NH2 3.27Å
703	V	94.1	Very high	91.9	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.018	35%	0.35	C	S	.	.			trans	-84.7	-14.5	175.8	-66.3	0	0	0	0	113	Y669 M696 A699 P701 F722	Y669-V703 VanDerWaalsContact O-CB 3.3Å; Y669-V703 WeakPolarHBondContact O-CB 3.22Å; Y669-V703 WeakPolarHBondContact O-CG2 3.48Å; M696-V703 HydrophobicContact CB-CG2 3.94Å; M696-V703 HydrophobicContact CG-CG2 3.95Å; A699-V703 HydrophobicContact CB-CG1 3.65Å; A699-V703 HydrophobicContact CB-CG2 4.17Å; P701-V703 PolarHBondContact O-N 3.14Å; V703-F722 HydrophobicContact CB-CE2 4.4Å
704	F	93.5	Very high	91.9	Very high	30 Å²	30	66 Å²	66	13%	0.132	35%	0.354	C	S	.	.			trans	-76.5	143.9	178.5	-57.7	-71.6	0	0	0	111.9	T671 D673 K678 W693 M696 S702	T671-F704 VanDerWaalsContact O-CA 3.3Å; T671-F704 WeakPolarHBondContact O-CA 3.43Å; T671-F704 WeakPolarHBondContact OG1-CD1 3.3Å; T671-F704 WeakPolarHBondContact OG1-CE1 3.4Å; D673-F704 HydrophobicContact CB-CB 4.13Å; K678-F704 HydrophobicContact CD-CD1 4.16Å; K678-F704 HydrophobicContact CD-CE1 4.07Å; K678-F704 HydrophobicContact CG-CD1 4.36Å; K678-F704 HydrophobicContact CG-CE1 3.88Å; W693-F704 HydrophobicContact CH2-CZ 4.26Å; W693-F704 HydrophobicContact CZ3-CE1 4.14Å; W693-F704 AromaticContact CZ3-CZ 3.8Å; W693-F704 HydrophobicContact CZ3-CZ 3.8Å; M696-F704 HydrophobicContact CB-CE1 4.32Å; M696-F704 HydrophobicContact CB-CZ 3.81Å; M696-F704 VanDerWaalsContact O-CE2 3.28Å; M696-F704 WeakPolarHBondContact O-CE2 3.35Å; M696-F704 HydrophobicContact SD-CE1 4.45Å; S702-F704 PolarHBondContact OG-N 3.47Å
705	T	90.2	Very high	91.9	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-116.4	150.8	177.7	65.2	0	0	0	0	110.9	T671 D673 T707 E710 F724	T671-T705 PolarHBondContact O-N 2.87Å; T671-T705 VanDerWaalsContact O-N 3.12Å; D673-T705 WeakPolarHBondContact CB-O 3.3Å; D673-T705 PolarHBondContact N-O 2.91Å; T705-T707 PolarHBondContact OG1-O 3.49Å; T705-T707 VanDerWaalsContact OG1-O 3.14Å; T705-E710 HydrophobicContact CG2-CG 4.22Å; T705-F724 HydrophobicContact CG2-CE2 4.23Å; T705-F724 VanDerWaalsContact OG1-CE2 3.32Å; T705-F724 WeakPolarHBondContact OG1-CE2 3.47Å; T705-F724 WeakPolarHBondContact OG1-CZ 3.24Å
706	R	87.1	Confident	91.8	Very high	206 Å²	206	62 Å²	62	78%	0.777	33%	0.33	S	S	*	.	S	Bend	trans	-80.1	-30	179.8	-63.7	179.3	176.5	174	-0.2	112.4	E710	R706-E710 WeakPolarHBondContact CA-OE2 3.1Å; R706-E710 WeakPolarHBondContact CB-OE2 3.41Å; R706-E710 PolarHBondContact N-OE2 2.78Å
707	T	86.7	Confident	91.8	Very high	73 Å²	73	70 Å²	70	45%	0.448	36%	0.364	S	S	.	.	S	Bend	trans	-131.8	159.1	178.5	66.7	0	0	0	0	112.1	L672 T705 E710 G711	L672-T707 VanDerWaalsContact CD1-C 3.43Å; T705-T707 PolarHBondContact OG1-O 3.49Å; T705-T707 VanDerWaalsContact OG1-O 3.14Å; T707-E710 PolarHBondContact N-OE2 3.08Å; T707-E710 PolarHBondContact O-N 3.11Å; T707-E710 VanDerWaalsContact OG1-CB 3.27Å; T707-E710 WeakPolarHBondContact OG1-CB 3.21Å; T707-E710 PolarHBondContact OG1-N 3.17Å; T707-G711 PolarHBondContact O-N 3.34Å
708	T	87.8	Confident	91.6	Very high	22 Å²	22	64.1 Å²	64.1	14%	0.135	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-42.3	174.1	-45.7	0	0	0	0	111.3	E424 E710 G711 V712 F724 L726 M730	E424-T708 PolarHBondContact OE1-OG1 3.27Å; T708-E710 VanDerWaalsContact C-N 3.34Å; T708-E710 PolarHBondContact O-N 2.9Å; T708-G711 PolarHBondContact O-N 2.98Å; T708-V712 WeakPolarHBondContact O-CG2 3.38Å; T708-V712 PolarHBondContact O-N 3.48Å; T708-F724 HydrophobicContact CG2-CE1 4.35Å; T708-L726 HydrophobicContact CG2-CD1 4.12Å; T708-M730 HydrophobicContact CG2-CE 3.8Å; T708-M730 HydrophobicContact CG2-CG 3.83Å
709	A	90.4	Very high	91.4	Very high	74 Å²	74	68.8 Å²	68.8	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-63.1	-37.2	179.5	0	0	0	0	0	113	A713	A709-A713 VanDerWaalsContact O-CB 3.31Å; A709-A713 WeakPolarHBondContact O-CB 3.49Å; A709-A713 PolarHBondContact O-N 3.45Å
710	E	92.2	Very high	91.1	Very high	82 Å²	82	69.2 Å²	69.2	38%	0.383	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-43.9	173	-178.5	-170.2	175.5	0	0	111.7	T705 R706 T707 T708 A713 R714	T705-E710 HydrophobicContact CG2-CG 4.22Å; R706-E710 WeakPolarHBondContact CA-OE2 3.1Å; R706-E710 WeakPolarHBondContact CB-OE2 3.41Å; R706-E710 PolarHBondContact N-OE2 2.78Å; T707-E710 PolarHBondContact N-OE2 3.08Å; T707-E710 PolarHBondContact O-N 3.11Å; T707-E710 VanDerWaalsContact OG1-CB 3.27Å; T707-E710 WeakPolarHBondContact OG1-CB 3.21Å; T707-E710 PolarHBondContact OG1-N 3.17Å; T708-E710 VanDerWaalsContact C-N 3.34Å; T708-E710 PolarHBondContact O-N 2.9Å; E710-A713 PolarHBondContact O-N 3.14Å; E710-R714 WeakPolarHBondContact O-CB 3.3Å; E710-R714 PolarHBondContact O-N 3.35Å
711	G	92.5	Very high	91.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-46	176.8	0	0	0	0	0	113.2	T707 T708 A713 R714 V715	T707-G711 PolarHBondContact O-N 3.34Å; T708-G711 PolarHBondContact O-N 2.98Å; G711-A713 PolarHBondContact O-N 3.31Å; G711-R714 WeakPolarHBondContact O-CB 3.34Å; G711-R714 PolarHBondContact O-N 3.31Å; G711-V715 PolarHBondContact O-N 3.2Å
712	V	93.7	Very high	91.5	Very high	8 Å²	8	60 Å²	60	5%	0.048	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-47.4	173	174.5	0	0	0	0	110.7	M525 T708 R714 V715 R716 I734	M525-V712 HydrophobicContact CE-CG2 4.15Å; M525-V712 HydrophobicContact SD-CG2 3.96Å; T708-V712 WeakPolarHBondContact O-CG2 3.38Å; T708-V712 PolarHBondContact O-N 3.48Å; V712-R714 VanDerWaalsContact C-N 3.3Å; V712-R714 PolarHBondContact O-N 2.86Å; V712-V715 PolarHBondContact O-N 3.19Å; V712-R716 WeakPolarHBondContact O-CG 3.38Å; V712-R716 PolarHBondContact O-N 3.04Å; V712-I734 HydrophobicContact CG1-CG2 3.66Å; V712-I734 HydrophobicContact CG2-CD1 4.33Å; V712-I734 HydrophobicContact CG2-CG1 4.13Å; V712-I734 HydrophobicContact CG2-CG2 4.04Å
713	A	94	Very high	91.6	Very high	38 Å²	38	56.7 Å²	56.7	31%	0.314	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-34.5	178.4	0	0	0	0	0	112.8	A709 E710 G711 K717	A709-A713 VanDerWaalsContact O-CB 3.31Å; A709-A713 WeakPolarHBondContact O-CB 3.49Å; A709-A713 PolarHBondContact O-N 3.45Å; E710-A713 PolarHBondContact O-N 3.14Å; G711-A713 PolarHBondContact O-N 3.31Å; A713-K717 WeakPolarHBondContact O-CB 3.34Å; A713-K717 VanDerWaalsContact O-CG 3.27Å; A713-K717 WeakPolarHBondContact O-CG 3.5Å; A713-K717 PolarHBondContact O-N 2.76Å
714	R	94.8	Very high	91.7	Very high	65 Å²	65	56.6 Å²	56.6	25%	0.245	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-50.4	174.5	-168.8	173.2	177.9	163.7	0.8	110.8	S702 E710 G711 V712 R716 K717 S718 F722	S702-R714 PolarHBondContact O-NH1 2.89Å; S702-R714 PolarHBondContact O-NH2 3.27Å; E710-R714 WeakPolarHBondContact O-CB 3.3Å; E710-R714 PolarHBondContact O-N 3.35Å; G711-R714 WeakPolarHBondContact O-CB 3.34Å; G711-R714 PolarHBondContact O-N 3.31Å; V712-R714 VanDerWaalsContact C-N 3.3Å; V712-R714 PolarHBondContact O-N 2.86Å; R714-R716 PolarHBondContact O-N 3.19Å; R714-K717 PolarHBondContact O-N 3.31Å; R714-S718 WeakPolarHBondContact O-CB 3.25Å; R714-S718 PolarHBondContact O-N 3.42Å; R714-S718 PolarHBondContact O-OG 2.9Å; R714-F722 HydrophobicContact CB-CD1 4.09Å; R714-F722 HydrophobicContact CB-CE1 4.11Å; R714-F722 HydrophobicContact CG-CD1 3.67Å; R714-F722 HydrophobicContact CG-CE1 3.83Å; R714-F722 HydrophobicContact CG-CG 4.09Å; R714-F722 HydrophobicContact CG-CZ 4.37Å
715	V	94.6	Very high	91.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-54.5	-50	175	175.2	0	0	0	0	111.5	M525 I526 K527 G711 V712 K717 S718 F722 F724	M525-V715 HydrophobicContact CG-CG1 4.45Å; I526-V715 VanDerWaalsContact C-CG1 3.49Å; K527-V715 HydrophobicContact CB-CG1 4.11Å; K527-V715 VanDerWaalsContact N-CG1 3.29Å; G711-V715 PolarHBondContact O-N 3.2Å; V712-V715 PolarHBondContact O-N 3.19Å; V715-K717 VanDerWaalsContact C-N 3.33Å; V715-K717 PolarHBondContact O-N 3.45Å; V715-S718 PolarHBondContact O-N 3.47Å; V715-F722 HydrophobicContact CG2-CD1 3.74Å; V715-F722 HydrophobicContact CG2-CE1 4.21Å; V715-F724 HydrophobicContact CG2-CB 3.46Å; V715-F724 VanDerWaalsContact CG2-CB 3.46Å
716	R	92.9	Very high	91.9	Very high	59 Å²	59	55.8 Å²	55.8	22%	0.223	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-40.8	-179.5	-69.6	-177.2	165.3	168.1	-1.5	112.7	K527 V712 R714 K738 D741 T742	K527-R716 PolarHBondContact NZ-O 3.35Å; V712-R716 WeakPolarHBondContact O-CG 3.38Å; V712-R716 PolarHBondContact O-N 3.04Å; R714-R716 PolarHBondContact O-N 3.19Å; R716-K738 PolarHBondContact NH2-O 3.02Å; R716-D741 WeakPolarHBondContact CD-OD1 3.35Å; R716-D741 VanDerWaalsContact CG-OD2 3.31Å; R716-D741 WeakPolarHBondContact CG-OD2 3.33Å; R716-D741 IonicContact CZ-OD1 3.36Å; R716-D741 IonicContact NE-OD1 3.67Å; R716-D741 PolarHBondContact NE-OD1 2.83Å; R716-D741 IonicContact NE-OD2 3.6Å; R716-D741 IonicContact NH2-OD1 3.48Å; R716-D741 PolarHBondContact NH2-OD1 3.03Å; R716-T742 HydrophobicContact CG-CG2 4.15Å
717	K	93.3	Very high	92.1	Very high	169 Å²	169	47 Å²	47	74%	0.735	25%	0.245	S	C	*	.	H	α-helix	trans	-76.5	-34.4	179.9	-72.4	174.9	-179.1	-178.2	0	113.4	A713 R714 V715 K719	A713-K717 WeakPolarHBondContact O-CB 3.34Å; A713-K717 VanDerWaalsContact O-CG 3.27Å; A713-K717 WeakPolarHBondContact O-CG 3.5Å; A713-K717 PolarHBondContact O-N 2.76Å; R714-K717 PolarHBondContact O-N 3.31Å; V715-K717 VanDerWaalsContact C-N 3.33Å; V715-K717 PolarHBondContact O-N 3.45Å; K717-K719 PolarHBondContact O-N 2.92Å; K717-K719 VanDerWaalsContact O-N 3.09Å
718	S	90.4	Very high	92.5	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	3.9	-173.5	-68.2	0	0	0	0	115.9	R714 V715 G720 K721 F722	R714-S718 WeakPolarHBondContact O-CB 3.25Å; R714-S718 PolarHBondContact O-N 3.42Å; R714-S718 PolarHBondContact O-OG 2.9Å; V715-S718 PolarHBondContact O-N 3.47Å; S718-G720 PolarHBondContact O-N 2.76Å; S718-G720 VanDerWaalsContact O-N 3.08Å; S718-K721 VanDerWaalsContact O-CB 3.31Å; S718-K721 WeakPolarHBondContact O-CB 3.42Å; S718-K721 PolarHBondContact O-N 3.41Å; S718-F722 WeakPolarHBondContact OG-CB 3.26Å
719	K	87.4	Confident	92.7	Very high	185 Å²	185	42.7 Å²	42.7	80%	0.804	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	36.6	177.1	-58	-176.3	-179.1	179.5	0	114.2	K717	K717-K719 PolarHBondContact O-N 2.92Å; K717-K719 VanDerWaalsContact O-N 3.09Å
720	G	86.9	Confident	92.8	Very high	27 Å²	27	40 Å²	40	28%	0.278	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-8.3	-178.1	0	0	0	0	0	115.8	S718 F722	S718-G720 PolarHBondContact O-N 2.76Å; S718-G720 VanDerWaalsContact O-N 3.08Å; G720-F722 PolarHBondContact O-N 2.99Å
721	K	91.7	Very high	92.9	Very high	107 Å²	107	36.1 Å²	36.1	47%	0.465	18%	0.176	S	C	.	.	S	Bend	trans	-78.7	3.6	175.9	-61.7	-80.6	-167.9	172.7	0	114.6	E666 I667 A668 S718	E666-K721 HydrophobicContact CG-CD 4.12Å; E666-K721 IonicContact OE1-NZ 3.73Å; E666-K721 PolarHBondContact OE1-NZ 3.25Å; I667-K721 WeakPolarHBondContact CA-O 3.3Å; A668-K721 PolarHBondContact N-O 3.44Å; S718-K721 VanDerWaalsContact O-CB 3.31Å; S718-K721 WeakPolarHBondContact O-CB 3.42Å; S718-K721 PolarHBondContact O-N 3.41Å
722	F	94.4	Very high	92.8	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	132.4	176.8	-174	-102.6	0	0	0	111.4	A668 V703 R714 V715 S718 G720 F724	A668-F722 HydrophobicContact CB-CD2 3.99Å; A668-F722 CarbonylContact O-C 3.52Å; A668-F722 VanDerWaalsContact O-CA 3.23Å; A668-F722 WeakPolarHBondContact O-CA 3.47Å; A668-F722 WeakPolarHBondContact O-CD2 3.28Å; V703-F722 HydrophobicContact CB-CE2 4.4Å; R714-F722 HydrophobicContact CB-CD1 4.09Å; R714-F722 HydrophobicContact CB-CE1 4.11Å; R714-F722 HydrophobicContact CG-CD1 3.67Å; R714-F722 HydrophobicContact CG-CE1 3.83Å; R714-F722 HydrophobicContact CG-CG 4.09Å; R714-F722 HydrophobicContact CG-CZ 4.37Å; V715-F722 HydrophobicContact CG2-CD1 3.74Å; V715-F722 HydrophobicContact CG2-CE1 4.21Å; S718-F722 WeakPolarHBondContact OG-CB 3.26Å; G720-F722 PolarHBondContact O-N 2.99Å; F722-F724 HydrophobicContact CE1-CB 4.11Å; F722-F724 HydrophobicContact CE1-CD2 4.23Å
723	A	94.8	Very high	92.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.7	172.8	0	0	0	0	0	110.5	I524 M525 I526 L661 I667 A668 Y669 G670	I524-A723 HydrophobicContact CG2-CB 4.13Å; M525-A723 CarbonylContact O-C 3.13Å; M525-A723 WeakPolarHBondContact O-CA 3.3Å; I526-A723 HydrophobicContact CG2-CB 3.91Å; L661-A723 HydrophobicContact CD1-CB 4.43Å; L661-A723 HydrophobicContact CD2-CB 4.09Å; I667-A723 HydrophobicContact CG2-CB 4.24Å; A668-A723 PolarHBondContact O-N 3.32Å; Y669-A723 VanDerWaalsContact CA-O 3.25Å; Y669-A723 WeakPolarHBondContact CA-O 3.44Å; G670-A723 PolarHBondContact N-O 3.01Å
724	F	95.7	Very high	92.7	Very high	2 Å²	2	37 Å²	37	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.5	-179.5	-171.5	-126.7	0	0	0	110.8	M525 G670 T705 T708 V715 F722 L726	M525-F724 PolarHBondContact N-O 3.48Å; M525-F724 PolarHBondContact O-N 2.88Å; G670-F724 WeakPolarHBondContact O-CD2 3.35Å; T705-F724 HydrophobicContact CG2-CE2 4.23Å; T705-F724 VanDerWaalsContact OG1-CE2 3.32Å; T705-F724 WeakPolarHBondContact OG1-CE2 3.47Å; T705-F724 WeakPolarHBondContact OG1-CZ 3.24Å; T708-F724 HydrophobicContact CG2-CE1 4.35Å; V715-F724 HydrophobicContact CG2-CB 3.46Å; V715-F724 VanDerWaalsContact CG2-CB 3.46Å; F722-F724 HydrophobicContact CE1-CB 4.11Å; F722-F724 HydrophobicContact CE1-CD2 4.23Å; F724-L726 HydrophobicContact CD1-CB 4.15Å; F724-L726 HydrophobicContact CD1-CD1 4.11Å; F724-L726 HydrophobicContact CD1-CD2 4.02Å; F724-L726 HydrophobicContact CD1-CG 4.32Å; F724-L726 HydrophobicContact CE1-CB 3.99Å; F724-L726 HydrophobicContact CE1-CD1 4.11Å; F724-L726 HydrophobicContact CE1-CG 4.48Å
725	L	95.2	Very high	92.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107.7	-177.1	-61.9	175.8	0	0	0	109.5	I522 I524 L661 Y669 G670 T671 F681 M692 M696	I522-L725 HydrophobicContact CG2-CB 4.3Å; I524-L725 HydrophobicContact CB-CD2 4.34Å; I524-L725 HydrophobicContact CG1-CD2 3.79Å; I524-L725 HydrophobicContact CG2-CD2 4.42Å; L661-L725 HydrophobicContact CD1-CD2 4.43Å; Y669-L725 HydrophobicContact CD2-CD1 4.29Å; G670-L725 PolarHBondContact O-N 2.75Å; T671-L725 HydrophobicContact CG2-CB 3.85Å; T671-L725 HydrophobicContact CG2-CD1 4.18Å; F681-L725 HydrophobicContact CE2-CD1 3.84Å; F681-L725 HydrophobicContact CZ-CD1 3.9Å; M692-L725 HydrophobicContact CE-CD1 3.8Å; M696-L725 HydrophobicContact SD-CD1 4.4Å
726	L	93.2	Very high	92.3	Very high	11 Å²	11	38 Å²	38	6%	0.058	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	166.8	-175.8	77.4	170.2	0	0	0	111.9	S523 M525 T708 F724 M730 N731	S523-L726 PolarHBondContact N-O 2.9Å; S523-L726 PolarHBondContact O-N 2.89Å; S523-L726 PolarHBondContact OG-O 2.9Å; M525-L726 HydrophobicContact CB-CD2 3.58Å; M525-L726 HydrophobicContact CE-CD1 4Å; M525-L726 HydrophobicContact CE-CD2 4.12Å; T708-L726 HydrophobicContact CG2-CD1 4.12Å; F724-L726 HydrophobicContact CD1-CB 4.15Å; F724-L726 HydrophobicContact CD1-CD1 4.11Å; F724-L726 HydrophobicContact CD1-CD2 4.02Å; F724-L726 HydrophobicContact CD1-CG 4.32Å; F724-L726 HydrophobicContact CE1-CB 3.99Å; F724-L726 HydrophobicContact CE1-CD1 4.11Å; F724-L726 HydrophobicContact CE1-CG 4.48Å; L726-M730 HydrophobicContact CD1-CB 4.02Å; L726-M730 HydrophobicContact CD1-CG 3.84Å; L726-N731 HydrophobicContact CD2-CB 4.02Å; L726-N731 HydrophobicContact CG-CB 4.28Å
727	E	92.5	Very high	92.1	Very high	22 Å²	22	38 Å²	38	10%	0.103	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	138.1	179.4	-69.5	178.8	150.5	0	0	111.7	T502 L520 G521 T729 M730 N731 Y754	T502-E727 WeakPolarHBondContact CG2-OE1 3.38Å; T502-E727 PolarHBondContact OG1-OE1 2.85Å; L520-E727 HydrophobicContact CD1-CB 4.03Å; L520-E727 HydrophobicContact CD1-CG 3.81Å; G521-E727 CarbonylContact O-C 3.57Å; G521-E727 WeakPolarHBondContact O-CA 3.47Å; E727-T729 VanDerWaalsContact C-N 3.25Å; E727-T729 PolarHBondContact O-N 2.75Å; E727-M730 PolarHBondContact O-N 2.62Å; E727-N731 PolarHBondContact O-N 3.5Å; E727-N731 VanDerWaalsContact O-N 3.14Å; E727-Y754 VanDerWaalsContact OE2-CE1 3.29Å; E727-Y754 WeakPolarHBondContact OE2-CE1 3.37Å; E727-Y754 PolarHBondContact OE2-OH 2.91Å
728	S	94.2	Very high	91.8	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-33.7	-168	64.1	0	0	0	0	113.8	G521 S523 N731 E732 N748	G521-S728 PolarHBondContact N-OG 3.42Å; G521-S728 WeakPolarHBondContact O-CB 3.5Å; G521-S728 PolarHBondContact O-N 3.27Å; S523-S728 WeakPolarHBondContact OG-CA 3.43Å; S728-N731 PolarHBondContact O-N 2.93Å; S728-E732 WeakPolarHBondContact O-CB 3.16Å; S728-E732 VanDerWaalsContact O-CG 3.28Å; S728-E732 WeakPolarHBondContact O-CG 3.08Å; S728-E732 PolarHBondContact O-N 3.1Å; S728-N748 VanDerWaalsContact CB-OD1 3.31Å; S728-N748 WeakPolarHBondContact CB-OD1 3.43Å; S728-N748 PolarHBondContact OG-ND2 2.96Å
729	T	92.7	Very high	91.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-44.2	174.9	47.4	0	0	0	0	111.9	Y427 M518 L520 E727 Y733 Y754 W789	Y427-T729 WeakPolarHBondContact OH-CB 3.38Å; Y427-T729 PolarHBondContact OH-OG1 3.03Å; M518-T729 HydrophobicContact CG-CG2 4.04Å; M518-T729 HydrophobicContact SD-CG2 3.45Å; M518-T729 WeakPolarHBondContact SD-CG2 3.43Å; L520-T729 HydrophobicContact CB-CG2 3.84Å; L520-T729 HydrophobicContact CD2-CG2 4.27Å; E727-T729 VanDerWaalsContact C-N 3.25Å; E727-T729 PolarHBondContact O-N 2.75Å; T729-Y733 WeakPolarHBondContact O-CB 3.37Å; T729-Y733 PolarHBondContact O-N 3.28Å; T729-Y754 HydrophobicContact CG2-CE2 4.47Å; T729-Y754 PolarHBondContact OG1-OH 3.37Å; T729-W789 PolarHBondContact O-NE1 2.83Å
730	M	91.9	Very high	91.8	Very high	19 Å²	19	32 Å²	32	9%	0.094	16%	0.163	C	C	.	.	H	α-helix	trans	-75	-32.2	178.8	-170.9	53.4	167.5	0	0	111.8	E424 T708 L726 E727 Y733 I734	E424-M730 HydrophobicContact CG-CE 4.42Å; T708-M730 HydrophobicContact CG2-CE 3.8Å; T708-M730 HydrophobicContact CG2-CG 3.83Å; L726-M730 HydrophobicContact CD1-CB 4.02Å; L726-M730 HydrophobicContact CD1-CG 3.84Å; E727-M730 PolarHBondContact O-N 2.62Å; M730-Y733 HydrophobicContact CE-CD1 4.4Å; M730-Y733 PolarHBondContact O-N 2.69Å; M730-Y733 HydrophobicContact SD-CD1 3.74Å; M730-Y733 HydrophobicContact SD-CE1 4.47Å; M730-I734 HydrophobicContact CE-CD1 4.09Å; M730-I734 HydrophobicContact CE-CG1 4.2Å; M730-I734 HydrophobicContact CG-CG1 4.48Å; M730-I734 WeakPolarHBondContact O-CB 3.32Å; M730-I734 VanDerWaalsContact O-CG1 3.23Å; M730-I734 WeakPolarHBondContact O-CG1 3.2Å; M730-I734 PolarHBondContact O-N 2.9Å; M730-I734 HydrophobicContact SD-CG1 4.2Å
731	N	93.4	Very high	91.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-51.2	173	-162.6	0.9	0	0	0	111.5	S523 I524 M525 L726 E727 S728 Y733 I734 E735	S523-N731 WeakPolarHBondContact OG-CB 3.34Å; S523-N731 PolarHBondContact OG-ND2 3.07Å; I524-N731 VanDerWaalsContact C-ND2 3.33Å; I524-N731 PolarHBondContact O-ND2 3.01Å; M525-N731 WeakPolarHBondContact CB-OD1 3.2Å; M525-N731 HydrophobicContact CE-CB 4.36Å; M525-N731 VanDerWaalsContact CE-OD1 3.28Å; M525-N731 WeakPolarHBondContact CE-OD1 3.48Å; L726-N731 HydrophobicContact CD2-CB 4.02Å; L726-N731 HydrophobicContact CG-CB 4.28Å; E727-N731 PolarHBondContact O-N 3.5Å; E727-N731 VanDerWaalsContact O-N 3.14Å; S728-N731 PolarHBondContact O-N 2.93Å; N731-Y733 VanDerWaalsContact C-N 3.26Å; N731-Y733 PolarHBondContact O-N 3.38Å; N731-I734 PolarHBondContact O-N 3.29Å; N731-E735 PolarHBondContact O-N 2.98Å
732	E	91.9	Very high	91.9	Very high	31 Å²	31	27 Å²	27	15%	0.145	14%	0.135	C	C	.	.	H	α-helix	trans	-55.4	-38.7	174.1	-76.3	158.3	-144.3	0	0	112	S728 Q736 K744 K785	S728-E732 WeakPolarHBondContact O-CB 3.16Å; S728-E732 VanDerWaalsContact O-CG 3.28Å; S728-E732 WeakPolarHBondContact O-CG 3.08Å; S728-E732 PolarHBondContact O-N 3.1Å; E732-Q736 WeakPolarHBondContact O-CG 3.18Å; E732-K744 HydrophobicContact CG-CD 4.26Å; E732-K744 IonicContact OE1-NZ 3.23Å; E732-K744 PolarHBondContact OE1-NZ 2.94Å; E732-K785 IonicContact OE2-NZ 3.31Å; E732-K785 PolarHBondContact OE2-NZ 2.87Å
733	Y	92.6	Very high	91.6	Very high	13 Å²	13	28.8 Å²	28.8	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-68.6	-47.3	176.3	173	-115.1	0	0	0	113.1	A425 P426 T729 M730 N731 E735 Q736 R737	A425-Y733 HydrophobicContact CB-CE1 3.95Å; A425-Y733 WeakPolarHBondContact CB-OH 3.5Å; A425-Y733 WeakPolarHBondContact O-CD1 3.47Å; A425-Y733 WeakPolarHBondContact O-CE1 3.37Å; P426-Y733 HydrophobicContact CB-CD2 4.03Å; P426-Y733 HydrophobicContact CB-CE2 3.56Å; P426-Y733 HydrophobicContact CG-CD1 4.47Å; P426-Y733 HydrophobicContact CG-CD2 3.62Å; P426-Y733 HydrophobicContact CG-CE2 3.72Å; P426-Y733 HydrophobicContact CG-CG 4.01Å; T729-Y733 WeakPolarHBondContact O-CB 3.37Å; T729-Y733 PolarHBondContact O-N 3.28Å; M730-Y733 HydrophobicContact CE-CD1 4.4Å; M730-Y733 PolarHBondContact O-N 2.69Å; M730-Y733 HydrophobicContact SD-CD1 3.74Å; M730-Y733 HydrophobicContact SD-CE1 4.47Å; N731-Y733 VanDerWaalsContact C-N 3.26Å; N731-Y733 PolarHBondContact O-N 3.38Å; Y733-E735 VanDerWaalsContact C-N 3.3Å; Y733-E735 PolarHBondContact O-N 3.48Å; Y733-Q736 PolarHBondContact O-N 2.85Å; Y733-R737 HydrophobicContact CE1-CG 4.34Å; Y733-R737 HydrophobicContact CE2-CG 4.34Å; Y733-R737 VanDerWaalsContact CE2-NE 3.28Å; Y733-R737 PolarHBondContact O-N 3.25Å; Y733-R737 PolarHBondContact OH-NE 3.48Å; Y733-R737 PolarHBondContact OH-NH2 3.32Å
734	I	92.5	Very high	91.5	Very high	20 Å²	20	31.3 Å²	31.3	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-68.1	-31.3	-177.1	-67.8	-68.6	0	0	0	111.6	M525 V712 M730 N731 Q736 R737 T742	M525-I734 HydrophobicContact CE-CB 3.65Å; M525-I734 HydrophobicContact CE-CG1 4.26Å; M525-I734 HydrophobicContact CE-CG2 3.55Å; M525-I734 HydrophobicContact SD-CG2 4.29Å; V712-I734 HydrophobicContact CG1-CG2 3.66Å; V712-I734 HydrophobicContact CG2-CD1 4.33Å; V712-I734 HydrophobicContact CG2-CG1 4.13Å; V712-I734 HydrophobicContact CG2-CG2 4.04Å; M730-I734 HydrophobicContact CE-CD1 4.09Å; M730-I734 HydrophobicContact CE-CG1 4.2Å; M730-I734 HydrophobicContact CG-CG1 4.48Å; M730-I734 WeakPolarHBondContact O-CB 3.32Å; M730-I734 VanDerWaalsContact O-CG1 3.23Å; M730-I734 WeakPolarHBondContact O-CG1 3.2Å; M730-I734 PolarHBondContact O-N 2.9Å; M730-I734 HydrophobicContact SD-CG1 4.2Å; N731-I734 PolarHBondContact O-N 3.29Å; I734-Q736 PolarHBondContact O-N 2.93Å; I734-R737 PolarHBondContact O-N 3.28Å; I734-R737 VanDerWaalsContact O-N 3.1Å; I734-T742 HydrophobicContact CG2-CG2 4.32Å; I734-T742 PolarHBondContact O-OG1 3.26Å
735	E	90.9	Very high	91.2	Very high	56 Å²	56	31.6 Å²	31.6	26%	0.262	16%	0.157	S	C	.	.	H	α-helix	trans	-59.4	-33.4	169.2	179.6	162.6	-172.7	0	0	112.8	N731 Y733 R737 K744 C795	N731-E735 PolarHBondContact O-N 2.98Å; Y733-E735 VanDerWaalsContact C-N 3.3Å; Y733-E735 PolarHBondContact O-N 3.48Å; E735-R737 VanDerWaalsContact C-N 3.29Å; E735-R737 PolarHBondContact O-N 3.37Å; E735-K744 PolarHBondContact OE2-N 2.96Å; E735-C795 PolarHBondContact O-SG 3.4Å
736	Q	89.4	Confident	90.9	Very high	31 Å²	31	33.5 Å²	33.5	15%	0.145	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5.2	175.6	-59.9	-58.9	-27.8	0	0	114.3	E732 Y733 I734 Y790 E794 C795	E732-Q736 WeakPolarHBondContact O-CG 3.18Å; Y733-Q736 PolarHBondContact O-N 2.85Å; I734-Q736 PolarHBondContact O-N 2.93Å; Q736-Y790 HydrophobicContact CG-CD1 4.24Å; Q736-E794 PolarHBondContact O-N 3.05Å; Q736-C795 PolarHBondContact O-N 2.75Å; Q736-C795 PolarHBondContact OE1-O 3.37Å
737	R	89.2	Confident	90.8	Very high	57 Å²	57	35.9 Å²	35.9	22%	0.215	20%	0.204	C	C	.	.	S	Bend	trans	-107.6	143.2	178.2	-65.2	-47.4	-152.8	152.8	16.2	112.8	Y733 I734 E735 C740 E794 C795	Y733-R737 HydrophobicContact CE1-CG 4.34Å; Y733-R737 HydrophobicContact CE2-CG 4.34Å; Y733-R737 VanDerWaalsContact CE2-NE 3.28Å; Y733-R737 PolarHBondContact O-N 3.25Å; Y733-R737 PolarHBondContact OH-NE 3.48Å; Y733-R737 PolarHBondContact OH-NH2 3.32Å; I734-R737 PolarHBondContact O-N 3.28Å; I734-R737 VanDerWaalsContact O-N 3.1Å; E735-R737 VanDerWaalsContact C-N 3.29Å; E735-R737 PolarHBondContact O-N 3.37Å; R737-C740 PolarHBondContact O-N 3.2Å; R737-E794 IonicContact CZ-OE1 3.88Å; R737-E794 IonicContact NH1-OE1 2.78Å; R737-E794 PolarHBondContact NH1-OE1 3.16Å; R737-C795 PolarHBondContact O-SG 2.84Å
738	K	86.4	Confident	90.8	Very high	135 Å²	135	37.9 Å²	37.9	59%	0.587	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	142.9	175.8	-76.4	169.2	179.4	172.9	0	111.3	R716 E794	R716-K738 PolarHBondContact NH2-O 3.02Å; K738-E794 HydrophobicContact CD-CB 4.11Å; K738-E794 WeakPolarHBondContact CE-O 3.45Å; K738-E794 HydrophobicContact CG-CB 3.93Å; K738-E794 PolarHBondContact N-OE2 2.95Å
739	P	89.7	Confident	90.7	Very high	87 Å²	87	38.8 Å²	38.8	57%	0.565	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	cis	-91.4	27.5	5.6	38	-35.1	0	0	0	114.7	D741	P739-D741 HydrophobicContact CG-CB 4.1Å; P739-D741 PolarHBondContact O-N 3.29Å
740	C	88.4	Confident	90.5	Very high	44 Å²	44	40 Å²	40	30%	0.297	23%	0.227	S	C	.	.			trans	61.2	30.4	176.6	-38.6	0	0	0	0	113.6	R737 C795	R737-C740 PolarHBondContact O-N 3.2Å; C740-C795 VanDerWaalsContact CA-SG 3.53Å; C740-C795 HydrophobicContact CB-CB 3.94Å; C740-C795 WeakPolarHBondContact CB-SG 3.36Å; C740-C795 WeakPolarHBondContact SG-CB 3.38Å; C740-C795 CovalentContact SG-SG 2.03Å; C740-C795 PolarHBondContact SG-SG 3.1Å
741	D	89.2	Confident	90.4	Very high	30 Å²	30	45.2 Å²	45.2	16%	0.16	26%	0.264	C	S	.	.			trans	-101.9	7.9	-171	73	-30.2	0	0	0	114.3	K527 K528 R716 P739	K527-D741 CarbonylContact C-O 3.58Å; K527-D741 WeakPolarHBondContact CA-O 3.19Å; K527-D741 VanDerWaalsContact CG-O 3.25Å; K527-D741 WeakPolarHBondContact CG-O 3.46Å; K527-D741 IonicContact NZ-OD2 3.95Å; K528-D741 PolarHBondContact N-O 2.95Å; R716-D741 WeakPolarHBondContact CD-OD1 3.35Å; R716-D741 VanDerWaalsContact CG-OD2 3.31Å; R716-D741 WeakPolarHBondContact CG-OD2 3.33Å; R716-D741 IonicContact CZ-OD1 3.36Å; R716-D741 IonicContact NE-OD1 3.67Å; R716-D741 PolarHBondContact NE-OD1 2.83Å; R716-D741 IonicContact NE-OD2 3.6Å; R716-D741 IonicContact NH2-OD1 3.48Å; R716-D741 PolarHBondContact NH2-OD1 3.03Å; P739-D741 HydrophobicContact CG-CB 4.1Å; P739-D741 PolarHBondContact O-N 3.29Å
742	T	91.4	Very high	90.3	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.6	173.5	49.6	0	0	0	0	110	M525 I526 R716 I734	M525-T742 HydrophobicContact CG-CG2 4.16Å; M525-T742 HydrophobicContact SD-CG2 3.87Å; I526-T742 WeakPolarHBondContact O-CA 3.36Å; R716-T742 HydrophobicContact CG-CG2 4.15Å; I734-T742 HydrophobicContact CG2-CG2 4.32Å; I734-T742 PolarHBondContact O-OG1 3.26Å
743	M	89.3	Confident	90.3	Very high	41 Å²	41	45.8 Å²	45.8	20%	0.202	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.8	171.6	63.5	-176.8	-68	0	0	111.2	I526 K528 P529 V745	I526-M743 HydrophobicContact CD1-CG 4.18Å; I526-M743 HydrophobicContact CD1-SD 4.22Å; I526-M743 HydrophobicContact CG1-CG 3.64Å; I526-M743 HydrophobicContact CG1-SD 4.32Å; I526-M743 PolarHBondContact N-O 2.74Å; I526-M743 VanDerWaalsContact N-O 3.13Å; I526-M743 PolarHBondContact O-N 2.91Å; K528-M743 HydrophobicContact CB-CB 4.43Å; K528-M743 HydrophobicContact CB-CG 4.33Å; K528-M743 HydrophobicContact CB-SD 4.34Å; K528-M743 HydrophobicContact CG-SD 4.13Å; P529-M743 WeakPolarHBondContact CD-SD 3.32Å; M743-V745 HydrophobicContact CE-CG1 3.83Å; M743-V745 HydrophobicContact CG-CG1 4.33Å; M743-V745 HydrophobicContact SD-CG1 4.46Å
744	K	91.6	Very high	90.5	Very high	53 Å²	53	45.2 Å²	45.2	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.2	165.5	-176.2	178.5	-179.5	-173.6	0	109.9	I524 E732 E735 N748	I524-K744 WeakPolarHBondContact O-CA 3.44Å; E732-K744 HydrophobicContact CG-CD 4.26Å; E732-K744 IonicContact OE1-NZ 3.23Å; E732-K744 PolarHBondContact OE1-NZ 2.94Å; E735-K744 PolarHBondContact OE2-N 2.96Å; K744-N748 WeakPolarHBondContact CE-OD1 3.49Å; K744-N748 PolarHBondContact NZ-OD1 3.43Å; K744-N748 VanDerWaalsContact NZ-OD1 3.13Å
745	V	90.3	Very high	90.6	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145	169.7	-68.4	0	0	0	0	111.6	I524 I526 I655 M743	I524-V745 HydrophobicContact CB-CG2 3.72Å; I524-V745 HydrophobicContact CG2-CG2 3.65Å; I524-V745 PolarHBondContact O-N 3.01Å; I524-V745 VanDerWaalsContact O-N 3.08Å; I526-V745 HydrophobicContact CD1-CG1 3.55Å; I526-V745 HydrophobicContact CD1-CG2 4.28Å; I526-V745 HydrophobicContact CG1-CG1 3.86Å; I526-V745 HydrophobicContact CG1-CG2 4.24Å; I526-V745 HydrophobicContact CG2-CG2 4.05Å; I655-V745 HydrophobicContact CG2-CG2 4.36Å; M743-V745 HydrophobicContact CE-CG1 3.83Å; M743-V745 HydrophobicContact CG-CG1 4.33Å; M743-V745 HydrophobicContact SD-CG1 4.46Å
746	G	88.6	Confident	90.9	Very high	40 Å²	40	41.7 Å²	41.7	41%	0.412	25%	0.249	S	C	.	.	S	Bend	trans	71.5	178.7	-178.8	0	0	0	0	0	115	E656	E656-G746 WeakPolarHBondContact O-CA 3.44Å; E656-G746 PolarHBondContact O-N 3.49Å
747	G	90.4	Very high	91.2	Very high	61 Å²	61	40.2 Å²	40.2	63%	0.629	24%	0.242	S	C	*	.	S	Bend	trans	-72.6	174.1	166.3	0	0	0	0	0	112.1
748	N	92.9	Very high	91.5	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.342	23%	0.233	S	C	.	.			trans	-71.1	139.8	170.2	-66.5	-1.1	0	0	0	109.8	G521 I522 S728 K744 D750	G521-N748 PolarHBondContact N-ND2 3.49Å; G521-N748 VanDerWaalsContact N-ND2 3.16Å; I522-N748 CarbonylContact O-C 3.57Å; I522-N748 VanDerWaalsContact O-CA 3.26Å; I522-N748 WeakPolarHBondContact O-CA 3.39Å; S728-N748 VanDerWaalsContact CB-OD1 3.31Å; S728-N748 WeakPolarHBondContact CB-OD1 3.43Å; S728-N748 PolarHBondContact OG-ND2 2.96Å; K744-N748 WeakPolarHBondContact CE-OD1 3.49Å; K744-N748 PolarHBondContact NZ-OD1 3.43Å; K744-N748 VanDerWaalsContact NZ-OD1 3.13Å; N748-D750 VanDerWaalsContact C-N 3.3Å; N748-D750 PolarHBondContact O-N 2.78Å
749	L	91.3	Very high	91.8	Very high	23 Å²	23	32.6 Å²	32.6	12%	0.12	21%	0.214	C	C	.	.	S	Bend	trans	-74.5	-19.1	-178.6	-67.5	105.8	0	0	0	113.9	I522 I524 A658 F681 Y689	I522-L749 HydrophobicContact CB-CB 4.29Å; I522-L749 HydrophobicContact CB-CD1 3.95Å; I522-L749 HydrophobicContact CG2-CD1 3.78Å; I522-L749 WeakPolarHBondContact O-CD1 3.31Å; I522-L749 PolarHBondContact O-N 3.27Å; I524-L749 HydrophobicContact CG1-CD1 4.24Å; A658-L749 HydrophobicContact CB-CD2 3.39Å; A658-L749 HydrophobicContact CB-CG 4.2Å; F681-L749 HydrophobicContact CZ-CD2 4.37Å; Y689-L749 HydrophobicContact CD1-CD2 4.25Å; Y689-L749 HydrophobicContact CE1-CD2 3.44Å; Y689-L749 VanDerWaalsContact CE1-CD2 3.44Å; Y689-L749 WeakPolarHBondContact OH-CB 3.38Å; Y689-L749 PolarHBondContact OH-O 2.89Å
750	D	90.1	Very high	91.8	Very high	27 Å²	27	34.5 Å²	34.5	14%	0.144	21%	0.214	C	C	.	.	S	Bend	trans	-150.7	173.2	179.9	63.2	2.2	0	0	0	111.7	G521 I522 F680 N748 K752	G521-D750 WeakPolarHBondContact CA-O 3.42Å; G521-D750 WeakPolarHBondContact CA-OD1 3.34Å; I522-D750 WeakPolarHBondContact CD1-OD2 3.18Å; I522-D750 PolarHBondContact N-OD1 2.93Å; F680-D750 HydrophobicContact CE2-CB 4.04Å; F680-D750 WeakPolarHBondContact CE2-OD2 3.36Å; F680-D750 HydrophobicContact CZ-CB 4.17Å; N748-D750 VanDerWaalsContact C-N 3.3Å; N748-D750 PolarHBondContact O-N 2.78Å; D750-K752 IonicContact OD1-NZ 2.71Å; D750-K752 WeakPolarHBondContact OD2-CD 3.46Å; D750-K752 WeakPolarHBondContact OD2-CE 3.39Å; D750-K752 IonicContact OD2-NZ 3.43Å; D750-K752 PolarHBondContact OD2-NZ 2.97Å
751	S	89.3	Confident	91.5	Very high	127 Å²	127	35.5 Å²	35.5	89%	0.888	23%	0.231	S	C	*	.			trans	-115	112.4	174.9	-58.2	0	0	0	0	109.9
752	K	90.6	Very high	91.3	Very high	37 Å²	37	35.2 Å²	35.2	16%	0.161	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	170.5	-178.4	-81.5	166	168.6	151.1	0	109.9	T502 L520 D750	T502-K752 HydrophobicContact CG2-CB 4.13Å; T502-K752 HydrophobicContact CG2-CD 3.87Å; T502-K752 HydrophobicContact CG2-CG 4.08Å; L520-K752 HydrophobicContact CD1-CB 3.66Å; L520-K752 HydrophobicContact CD1-CD 4.33Å; L520-K752 HydrophobicContact CG-CB 4.16Å; L520-K752 PolarHBondContact N-O 3.22Å; L520-K752 CarbonylContact O-C 3.58Å; L520-K752 WeakPolarHBondContact O-CA 3.46Å; L520-K752 PolarHBondContact O-N 3.34Å; D750-K752 IonicContact OD1-NZ 2.71Å; D750-K752 WeakPolarHBondContact OD2-CD 3.46Å; D750-K752 WeakPolarHBondContact OD2-CE 3.39Å; D750-K752 IonicContact OD2-NZ 3.43Å; D750-K752 PolarHBondContact OD2-NZ 2.97Å
753	G	93.3	Very high	91.1	Very high	7 Å²	7	41 Å²	41	7%	0.072	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.9	166.9	0	0	0	0	0	112.4	I503 M518	I503-G753 PolarHBondContact N-O 3.37Å; I503-G753 VanDerWaalsContact N-O 3.09Å; M518-G753 WeakPolarHBondContact O-CA 3.41Å
754	Y	95.3	Very high	91	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.2	163.7	-59.5	-43.5	0	0	0	109.7	Y427 P500 P516 F517 M518 L520 E727 T729	Y427-Y754 HydrophobicContact CE1-CD2 4.39Å; Y427-Y754 AromaticContact CE1-CE2 3.89Å; Y427-Y754 HydrophobicContact CE1-CE2 3.89Å; Y427-Y754 AromaticContact CZ-CE2 3.82Å; Y427-Y754 WeakPolarHBondContact OH-CE2 3.49Å; P500-Y754 HydrophobicContact CB-CD1 4.24Å; P500-Y754 HydrophobicContact CB-CD2 4.1Å; P500-Y754 HydrophobicContact CB-CE1 3.83Å; P500-Y754 HydrophobicContact CB-CE2 3.68Å; P500-Y754 HydrophobicContact CB-CG 4.37Å; P500-Y754 WeakPolarHBondContact O-CE1 3.34Å; P516-Y754 CarbonylContact C-O 3.52Å; P516-Y754 WeakPolarHBondContact CA-O 3.32Å; F517-Y754 VanDerWaalsContact CD1-O 3.3Å; F517-Y754 WeakPolarHBondContact CD1-O 3.27Å; F517-Y754 HydrophobicContact CE2-CD2 4.28Å; F517-Y754 HydrophobicContact CZ-CD2 4.2Å; F517-Y754 HydrophobicContact CZ-CG 4.18Å; F517-Y754 PolarHBondContact N-O 3.41Å; M518-Y754 HydrophobicContact CB-CD2 4.32Å; M518-Y754 PolarHBondContact O-N 2.76Å; M518-Y754 HydrophobicContact SD-CD2 4.34Å; M518-Y754 HydrophobicContact SD-CE2 4.47Å; L520-Y754 HydrophobicContact CD2-CD1 3.64Å; L520-Y754 HydrophobicContact CD2-CD2 3.51Å; L520-Y754 HydrophobicContact CD2-CE1 3.47Å; L520-Y754 VanDerWaalsContact CD2-CE1 3.47Å; L520-Y754 HydrophobicContact CD2-CE2 3.31Å; L520-Y754 HydrophobicContact CD2-CG 3.66Å; E727-Y754 VanDerWaalsContact OE2-CE1 3.29Å; E727-Y754 WeakPolarHBondContact OE2-CE1 3.37Å; E727-Y754 PolarHBondContact OE2-OH 2.91Å; T729-Y754 HydrophobicContact CG2-CE2 4.47Å; T729-Y754 PolarHBondContact OG1-OH 3.37Å
755	G	95.4	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.272	C	S	.	.			trans	-123.1	152.8	173.5	0	0	0	0	0	110.5	L501	L501-G755 PolarHBondContact O-N 2.66Å
756	V	96.6	Very high	90.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	30%	0.298	C	S	.	.			trans	-74.8	129	168.6	-177.3	0	0	0	0	107.4	I454 I496 A497 V498 F513 S514 F517 V768 V772	I454-V756 HydrophobicContact CD1-CG2 3.91Å; I496-V756 HydrophobicContact CD1-CG1 3.71Å; I496-V756 HydrophobicContact CG1-CG1 3.65Å; A497-V756 WeakPolarHBondContact O-CG1 3.47Å; V498-V756 HydrophobicContact CG2-CG1 3.95Å; F513-V756 WeakPolarHBondContact CA-O 3.39Å; S514-V756 PolarHBondContact N-O 3.47Å; S514-V756 PolarHBondContact OG-N 2.99Å; F517-V756 HydrophobicContact CD1-CG2 4.04Å; F517-V756 HydrophobicContact CE1-CG2 4.33Å; V756-V768 HydrophobicContact CB-CG1 3.85Å; V756-V768 HydrophobicContact CG1-CG1 3.65Å; V756-V768 HydrophobicContact CG2-CG1 4.4Å; V756-V772 HydrophobicContact CG2-CG2 4.09Å
757	A	96.5	Very high	90.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147	-178.1	0	0	0	0	0	112.2	L489 I496 A497 L501 I511 D512 F513	L489-A757 HydrophobicContact CD1-CB 3.55Å; I496-A757 CarbonylContact C-O 3.43Å; I496-A757 WeakPolarHBondContact CA-O 3.46Å; A497-A757 HydrophobicContact CB-CB 4.28Å; A497-A757 PolarHBondContact N-O 2.94Å; A497-A757 PolarHBondContact O-N 3.27Å; A497-A757 VanDerWaalsContact O-N 3.14Å; L501-A757 HydrophobicContact CD2-CB 3.8Å; I511-A757 HydrophobicContact CD1-CB 3.88Å; D512-A757 WeakPolarHBondContact O-CA 3.21Å; F513-A757 HydrophobicContact CD1-CB 3.95Å; F513-A757 HydrophobicContact CE1-CB 3.84Å; F513-A757 HydrophobicContact CZ-CB 4.44Å
758	T	95.6	Very high	91	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.9	177.6	51.6	0	0	0	0	110.1	I496 D512 L764	I496-T758 HydrophobicContact CG1-CG2 4.12Å; D512-T758 PolarHBondContact N-O 3.21Å; D512-T758 PolarHBondContact O-N 3.13Å; D512-T758 PolarHBondContact O-OG1 2.95Å; D512-T758 VanDerWaalsContact O-OG1 3.1Å; T758-L764 HydrophobicContact CG2-CB 4.5Å
759	P	93.1	Very high	91.1	Very high	30 Å²	30	43 Å²	43	20%	0.195	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	143.4	169.4	-22.3	34.3	0	0	0	110.1	L489 E495 G761 S762	L489-P759 HydrophobicContact CB-CG 4.35Å; L489-P759 HydrophobicContact CD2-CG 4.3Å; E495-P759 WeakPolarHBondContact O-CD 3.26Å; P759-G761 PolarHBondContact O-N 2.66Å; P759-S762 WeakPolarHBondContact O-CB 3.27Å; P759-S762 PolarHBondContact O-N 3.25Å
760	K	87.9	Confident	91.2	Very high	128 Å²	128	47.6 Å²	47.6	56%	0.557	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	128.3	-176	-162.6	170.1	-166.5	172.1	0	110.9	E509 S762	E509-K760 PolarHBondContact O-NZ 3.1Å; K760-S762 VanDerWaalsContact C-N 3.32Å
761	G	82.8	Confident	91.3	Very high	65 Å²	65	46.6 Å²	46.6	67%	0.67	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	10.7	-175.5	0	0	0	0	0	115.4	D512 P759	D512-G761 PolarHBondContact OD2-N 3.44Å; P759-G761 PolarHBondContact O-N 2.66Å
762	S	85.8	Confident	91.6	Very high	23 Å²	23	40.6 Å²	40.6	16%	0.161	24%	0.235	C	C	.	.			trans	-63.8	134.8	177.8	177.4	0	0	0	0	112.3	P759 K760 L764 R765	P759-S762 WeakPolarHBondContact O-CB 3.27Å; P759-S762 PolarHBondContact O-N 3.25Å; K760-S762 VanDerWaalsContact C-N 3.32Å; S762-L764 PolarHBondContact O-N 2.9Å; S762-L764 PolarHBondContact OG-N 3.37Å; S762-R765 VanDerWaalsContact O-CB 3.25Å; S762-R765 WeakPolarHBondContact O-CB 3.42Å; S762-R765 PolarHBondContact O-N 3.43Å; S762-R765 VanDerWaalsContact O-N 3.09Å
763	P	85.6	Confident	91.8	Very high	121 Å²	121	41.8 Å²	41.8	79%	0.786	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23	176.9	27.2	-35.4	0	0	0	112.7	R765	P763-R765 PolarHBondContact O-N 3.26Å
764	L	87.3	Confident	91.8	Very high	26 Å²	26	46.3 Å²	46.3	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-66.4	-24.8	176.5	-65.8	175.4	0	0	0	112.7	V417 T758 S762 N766 A767 V768	V417-L764 HydrophobicContact CG1-CD1 4.19Å; T758-L764 HydrophobicContact CG2-CB 4.5Å; S762-L764 PolarHBondContact O-N 2.9Å; S762-L764 PolarHBondContact OG-N 3.37Å; L764-N766 PolarHBondContact O-N 3.08Å; L764-A767 PolarHBondContact O-N 3.36Å; L764-V768 HydrophobicContact CB-CG2 4.39Å; L764-V768 WeakPolarHBondContact O-CB 3.47Å; L764-V768 VanDerWaalsContact O-CG2 3.25Å; L764-V768 WeakPolarHBondContact O-CG2 3.28Å; L764-V768 PolarHBondContact O-N 2.89Å
765	R	89.1	Confident	91.8	Very high	95 Å²	95	46.3 Å²	46.3	36%	0.358	26%	0.26	S	S	.	.	H	α-helix	trans	-51.9	-50.8	-174.2	-179.6	-168.2	174.9	170.2	-4.9	112.4	D512 S762 P763 N769	D512-R765 HydrophobicContact CB-CG 4.21Å; D512-R765 IonicContact OD1-CZ 3.68Å; D512-R765 IonicContact OD1-NH1 3.25Å; D512-R765 PolarHBondContact OD1-NH1 2.93Å; D512-R765 WeakPolarHBondContact OD2-CD 3.38Å; D512-R765 IonicContact OD2-CZ 3.93Å; D512-R765 IonicContact OD2-NE 2.76Å; D512-R765 IonicContact OD2-NH1 3.6Å; D512-R765 PolarHBondContact OD2-NH1 3.4Å; S762-R765 VanDerWaalsContact O-CB 3.25Å; S762-R765 WeakPolarHBondContact O-CB 3.42Å; S762-R765 PolarHBondContact O-N 3.43Å; S762-R765 VanDerWaalsContact O-N 3.09Å; P763-R765 PolarHBondContact O-N 3.26Å; R765-N769 WeakPolarHBondContact O-CB 3.32Å; R765-N769 PolarHBondContact O-N 3.27Å
766	N	89.1	Confident	91.7	Very high	112 Å²	112	50.3 Å²	50.3	60%	0.599	28%	0.282	S	S	*	.	H	α-helix	trans	-69.2	-41.9	-175.4	-70.8	-14.2	0	0	0	111.6	L764 N769 L770	L764-N766 PolarHBondContact O-N 3.08Å; N766-N769 PolarHBondContact O-N 3.01Å; N766-L770 WeakPolarHBondContact O-CG 3.46Å; N766-L770 PolarHBondContact O-N 3.06Å
767	A	90.6	Very high	91.6	Very high	39 Å²	39	57.7 Å²	57.7	32%	0.322	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-46.1	177	0	0	0	0	0	112	I458 L764 L770 A771	I458-A767 HydrophobicContact CD1-CB 4.19Å; I458-A767 HydrophobicContact CG1-CB 4.2Å; I458-A767 HydrophobicContact CG2-CB 4.24Å; L764-A767 PolarHBondContact O-N 3.36Å; A767-L770 PolarHBondContact O-N 3.25Å; A767-A771 WeakPolarHBondContact O-CB 3.47Å; A767-A771 PolarHBondContact O-N 2.73Å
768	V	93.4	Very high	91.5	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-61.9	-43.4	175.1	172.2	0	0	0	0	111.3	I454 I458 I496 V756 L764 A771 V772	I454-V768 HydrophobicContact CG2-CG2 4.31Å; I458-V768 HydrophobicContact CD1-CB 4.35Å; I458-V768 HydrophobicContact CD1-CG2 3.57Å; I496-V768 HydrophobicContact CD1-CG1 4.36Å; I496-V768 HydrophobicContact CD1-CG2 3.64Å; V756-V768 HydrophobicContact CB-CG1 3.85Å; V756-V768 HydrophobicContact CG1-CG1 3.65Å; V756-V768 HydrophobicContact CG2-CG1 4.4Å; L764-V768 HydrophobicContact CB-CG2 4.39Å; L764-V768 WeakPolarHBondContact O-CB 3.47Å; L764-V768 VanDerWaalsContact O-CG2 3.25Å; L764-V768 WeakPolarHBondContact O-CG2 3.28Å; L764-V768 PolarHBondContact O-N 2.89Å; V768-A771 PolarHBondContact O-N 3.05Å; V768-V772 HydrophobicContact CG1-CG2 4.39Å; V768-V772 WeakPolarHBondContact O-CG2 3.24Å; V768-V772 PolarHBondContact O-N 3.4Å
769	N	93.8	Very high	91.4	Very high	36 Å²	36	64.5 Å²	64.5	19%	0.193	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-42.6	-179.8	-173.3	65.3	0	0	0	112.5	K515 R765 N766 L773	K515-N769 WeakPolarHBondContact CG-OD1 3.36Å; K515-N769 PolarHBondContact N-OD1 3.5Å; R765-N769 WeakPolarHBondContact O-CB 3.32Å; R765-N769 PolarHBondContact O-N 3.27Å; N766-N769 PolarHBondContact O-N 3.01Å; N769-L773 WeakPolarHBondContact O-CG 3.18Å; N769-L773 PolarHBondContact O-N 2.92Å; N769-L773 VanDerWaalsContact O-N 3.15Å
770	L	93.2	Very high	91.5	Very high	120 Å²	120	64.9 Å²	64.9	63%	0.628	36%	0.356	S	S	*	.	H	α-helix	trans	-67.5	-38.2	174.2	-69	172	0	0	0	112	N766 A767 L773 K774	N766-L770 WeakPolarHBondContact O-CG 3.46Å; N766-L770 PolarHBondContact O-N 3.06Å; A767-L770 PolarHBondContact O-N 3.25Å; L770-L773 PolarHBondContact O-N 2.8Å; L770-K774 WeakPolarHBondContact O-CB 3.46Å; L770-K774 PolarHBondContact O-N 3.31Å
771	A	93.8	Very high	91.8	Very high	6 Å²	6	59 Å²	59	5%	0.05	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-50.1	174.4	0	0	0	0	0	111.4	H457 I458 A767 V768 L773 K774 L775	H457-A771 HydrophobicContact CB-CB 4.02Å; I458-A771 HydrophobicContact CG1-CB 4.38Å; A767-A771 WeakPolarHBondContact O-CB 3.47Å; A767-A771 PolarHBondContact O-N 2.73Å; V768-A771 PolarHBondContact O-N 3.05Å; A771-L773 VanDerWaalsContact C-N 3.33Å; A771-L773 PolarHBondContact O-N 2.81Å; A771-K774 PolarHBondContact O-N 3.19Å; A771-K774 VanDerWaalsContact O-N 3.16Å; A771-L775 VanDerWaalsContact O-CG 3.31Å; A771-L775 WeakPolarHBondContact O-CG 3.44Å; A771-L775 PolarHBondContact O-N 3.16Å
772	V	95.1	Very high	92.2	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-58.4	-42.7	178.5	170.4	0	0	0	0	111.9	I454 F517 V756 V768 L775 N776	I454-V772 HydrophobicContact CD1-CG2 4.14Å; F517-V772 HydrophobicContact CB-CG1 3.87Å; V756-V772 HydrophobicContact CG2-CG2 4.09Å; V768-V772 HydrophobicContact CG1-CG2 4.39Å; V768-V772 WeakPolarHBondContact O-CG2 3.24Å; V768-V772 PolarHBondContact O-N 3.4Å; V772-L775 PolarHBondContact O-N 3.25Å; V772-N776 PolarHBondContact O-N 2.89Å
773	L	94.2	Very high	92.7	Very high	61 Å²	61	66.4 Å²	66.4	32%	0.319	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-46.2	175.3	-73.4	170.6	0	0	0	112	K515 N769 L770 A771 L775 N776 E777	K515-L773 HydrophobicContact CB-CD2 4.23Å; K515-L773 HydrophobicContact CG-CD2 4.19Å; K515-L773 HydrophobicContact CG-CG 4.5Å; N769-L773 WeakPolarHBondContact O-CG 3.18Å; N769-L773 PolarHBondContact O-N 2.92Å; N769-L773 VanDerWaalsContact O-N 3.15Å; L770-L773 PolarHBondContact O-N 2.8Å; A771-L773 VanDerWaalsContact C-N 3.33Å; A771-L773 PolarHBondContact O-N 2.81Å; L773-L775 PolarHBondContact O-N 3.23Å; L773-N776 WeakPolarHBondContact O-CB 3.09Å; L773-N776 PolarHBondContact O-N 2.95Å; L773-N776 VanDerWaalsContact O-N 3.11Å; L773-E777 WeakPolarHBondContact O-CG 3.36Å; L773-E777 PolarHBondContact O-N 2.93Å
774	K	94.3	Very high	93.1	Very high	103 Å²	103	61.3 Å²	61.3	45%	0.448	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-38	178	-172.2	167.5	-179	177.1	0	112.9	L770 A771 N776 Q778	L770-K774 WeakPolarHBondContact O-CB 3.46Å; L770-K774 PolarHBondContact O-N 3.31Å; A771-K774 PolarHBondContact O-N 3.19Å; A771-K774 VanDerWaalsContact O-N 3.16Å; K774-N776 VanDerWaalsContact C-N 3.27Å; K774-N776 PolarHBondContact O-N 3.32Å; K774-Q778 WeakPolarHBondContact O-CB 3.42Å; K774-Q778 VanDerWaalsContact O-CG 3.22Å; K774-Q778 WeakPolarHBondContact O-CG 3.22Å; K774-Q778 PolarHBondContact O-N 3.43Å
775	L	94.9	Very high	93.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-31.2	174.4	-66.2	-179.3	0	0	0	112.3	L450 E453 I454 A771 V772 L773 L780 L781	L450-L775 HydrophobicContact CD1-CD1 3.91Å; E453-L775 HydrophobicContact CB-CD1 4.12Å; E453-L775 HydrophobicContact CB-CD2 4.16Å; I454-L775 HydrophobicContact CG1-CD1 4.06Å; A771-L775 VanDerWaalsContact O-CG 3.31Å; A771-L775 WeakPolarHBondContact O-CG 3.44Å; A771-L775 PolarHBondContact O-N 3.16Å; V772-L775 PolarHBondContact O-N 3.25Å; L773-L775 PolarHBondContact O-N 3.23Å; L775-L780 HydrophobicContact CD2-CB 4.5Å; L775-L780 HydrophobicContact CD2-CD2 3.73Å; L775-L780 PolarHBondContact O-N 3.46Å; L775-L781 HydrophobicContact CB-CD2 4Å; L775-L781 HydrophobicContact CB-CG 4.03Å; L775-L781 HydrophobicContact CD1-CD2 4.5Å; L775-L781 PolarHBondContact O-N 3.05Å
776	N	93.6	Very high	93.6	Very high	84 Å²	84	61.1 Å²	61.1	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-73.1	-49.7	174.7	-164.9	47.9	0	0	0	111.5	V772 L773 K774 Q778 G779 L781	V772-N776 PolarHBondContact O-N 2.89Å; L773-N776 WeakPolarHBondContact O-CB 3.09Å; L773-N776 PolarHBondContact O-N 2.95Å; L773-N776 VanDerWaalsContact O-N 3.11Å; K774-N776 VanDerWaalsContact C-N 3.27Å; K774-N776 PolarHBondContact O-N 3.32Å; N776-Q778 PolarHBondContact O-N 3.02Å; N776-G779 PolarHBondContact O-N 2.94Å; N776-L781 HydrophobicContact CB-CD1 3.72Å
777	E	93.8	Very high	93.8	Very high	157 Å²	157	59.5 Å²	59.5	73%	0.734	30%	0.304	S	S	*	.	H	α-helix	trans	-58.9	-32	177.3	-72.1	170.1	-176.4	0	0	113	L773 G779	L773-E777 WeakPolarHBondContact O-CG 3.36Å; L773-E777 PolarHBondContact O-N 2.93Å; E777-G779 VanDerWaalsContact C-N 3.3Å
778	Q	94.5	Very high	94	Very high	115 Å²	115	58 Å²	58	54%	0.537	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.6	175.6	-70.3	178.9	-11.3	0	0	114.2	K774 N776 L780	K774-Q778 WeakPolarHBondContact O-CB 3.42Å; K774-Q778 VanDerWaalsContact O-CG 3.22Å; K774-Q778 WeakPolarHBondContact O-CG 3.22Å; K774-Q778 PolarHBondContact O-N 3.43Å; N776-Q778 PolarHBondContact O-N 3.02Å; Q778-L780 PolarHBondContact O-N 2.89Å
779	G	93.5	Very high	93.9	Very high	30 Å²	30	58 Å²	58	31%	0.309	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	14.5	-175.1	0	0	0	0	0	114.3	N776 E777 D782 K783	N776-G779 PolarHBondContact O-N 2.94Å; E777-G779 VanDerWaalsContact C-N 3.3Å; G779-D782 PolarHBondContact O-N 3.28Å; G779-K783 PolarHBondContact O-N 3.37Å; G779-K783 VanDerWaalsContact O-N 3.12Å
780	L	94.4	Very high	93.7	Very high	37 Å²	37	60.2 Å²	60.2	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-71.2	-34.2	-177.8	-162.2	74.5	0	0	0	111.3	E453 L775 Q778 D782 K783 L784	E453-L780 HydrophobicContact CB-CD2 4.26Å; E453-L780 HydrophobicContact CG-CD2 3.72Å; L775-L780 HydrophobicContact CD2-CB 4.5Å; L775-L780 HydrophobicContact CD2-CD2 3.73Å; L775-L780 PolarHBondContact O-N 3.46Å; Q778-L780 PolarHBondContact O-N 2.89Å; L780-D782 VanDerWaalsContact C-N 3.34Å; L780-D782 PolarHBondContact O-N 2.71Å; L780-K783 HydrophobicContact CD1-CD 4.29Å; L780-K783 PolarHBondContact O-N 3.04Å; L780-L784 WeakPolarHBondContact O-CB 3.47Å; L780-L784 WeakPolarHBondContact O-CG 3.4Å; L780-L784 PolarHBondContact O-N 3.2Å
781	L	94.3	Very high	93.5	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-40	176.8	-60.7	179.8	0	0	0	112.1	L450 F517 L775 N776 L784 K785	L450-L781 HydrophobicContact CD1-CD2 3.68Å; F517-L781 HydrophobicContact CB-CD1 4.05Å; L775-L781 HydrophobicContact CB-CD2 4Å; L775-L781 HydrophobicContact CB-CG 4.03Å; L775-L781 HydrophobicContact CD1-CD2 4.5Å; L775-L781 PolarHBondContact O-N 3.05Å; N776-L781 HydrophobicContact CB-CD1 3.72Å; L781-L784 PolarHBondContact O-N 2.83Å; L781-K785 PolarHBondContact O-N 3.41Å
782	D	93.1	Very high	93.1	Very high	97 Å²	97	64.4 Å²	64.4	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-68.9	-42.6	174.9	-68.3	-40.1	0	0	0	111.7	G779 L780 L784 K785 N786	G779-D782 PolarHBondContact O-N 3.28Å; L780-D782 VanDerWaalsContact C-N 3.34Å; L780-D782 PolarHBondContact O-N 2.71Å; D782-L784 VanDerWaalsContact C-N 3.29Å; D782-L784 PolarHBondContact O-N 2.71Å; D782-K785 PolarHBondContact O-N 2.89Å; D782-K785 VanDerWaalsContact O-N 3.1Å; D782-N786 PolarHBondContact O-N 3.24Å
783	K	95.3	Very high	92.5	Very high	147 Å²	147	65.5 Å²	65.5	64%	0.639	33%	0.326	S	S	*	.	H	α-helix	trans	-58.6	-41.3	173.5	-175.6	175.9	-179.7	178.5	0	111.8	G779 L780 K787	G779-K783 PolarHBondContact O-N 3.37Å; G779-K783 VanDerWaalsContact O-N 3.12Å; L780-K783 HydrophobicContact CD1-CD 4.29Å; L780-K783 PolarHBondContact O-N 3.04Å; K783-K787 WeakPolarHBondContact O-CB 3.47Å; K783-K787 PolarHBondContact O-N 2.7Å; K783-K787 VanDerWaalsContact O-N 3.08Å
784	L	94.8	Very high	92	Very high	15 Å²	15	67 Å²	67	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-68.5	-37	174.1	-70.7	177.6	0	0	0	112	Y446 D449 L780 L781 D782 K787 W788	Y446-L784 HydrophobicContact CD2-CB 3.84Å; Y446-L784 HydrophobicContact CE2-CB 3.52Å; D449-L784 HydrophobicContact CB-CD1 4.25Å; D449-L784 HydrophobicContact CB-CD2 3.72Å; L780-L784 WeakPolarHBondContact O-CB 3.47Å; L780-L784 WeakPolarHBondContact O-CG 3.4Å; L780-L784 PolarHBondContact O-N 3.2Å; L781-L784 PolarHBondContact O-N 2.83Å; D782-L784 VanDerWaalsContact C-N 3.29Å; D782-L784 PolarHBondContact O-N 2.71Å; L784-K787 HydrophobicContact CD2-CD 4.37Å; L784-W788 VanDerWaalsContact O-CD1 3.28Å; L784-W788 PolarHBondContact O-N 3.29Å
785	K	93.8	Very high	91.3	Very high	43 Å²	43	62.8 Å²	62.8	19%	0.187	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-49.6	174.9	-171.5	-174.1	176.6	-172.2	0	109.7	Y446 M518 E732 L781 D782 K787 W788 W789	Y446-K785 HydrophobicContact CE2-CB 4.41Å; M518-K785 HydrophobicContact CE-CB 4.4Å; M518-K785 HydrophobicContact CE-CG 4.22Å; E732-K785 IonicContact OE2-NZ 3.31Å; E732-K785 PolarHBondContact OE2-NZ 2.87Å; L781-K785 PolarHBondContact O-N 3.41Å; D782-K785 PolarHBondContact O-N 2.89Å; D782-K785 VanDerWaalsContact O-N 3.1Å; K785-K787 PolarHBondContact O-N 2.93Å; K785-W788 PolarHBondContact O-N 3.49Å; K785-W789 HydrophobicContact CG-CD2 4.18Å; K785-W789 HydrophobicContact CG-CE3 4.01Å; K785-W789 HydrophobicContact CG-CG 4.47Å; K785-W789 WeakPolarHBondContact O-CB 3.24Å; K785-W789 PolarHBondContact O-N 3.14Å
786	N	92.6	Very high	89.7	Confident	73 Å²	73	65.8 Å²	65.8	39%	0.39	35%	0.345	S	S	.	.	H	α-helix	trans	-59.5	-45.9	-179.9	-67.5	-14.1	0	0	0	112.1	D782 W788 Y790 D791	D782-N786 PolarHBondContact O-N 3.24Å; N786-W788 VanDerWaalsContact C-N 3.3Å; N786-W788 PolarHBondContact O-N 2.86Å; N786-Y790 HydrophobicContact CB-CD2 4.45Å; N786-Y790 PolarHBondContact O-N 2.78Å; N786-Y790 WeakPolarHBondContact OD1-CD2 3.28Å; N786-D791 PolarHBondContact O-N 3.13Å
787	K	93.9	Very high	87.5	Confident	78 Å²	78	66.9 Å²	66.9	34%	0.339	36%	0.359	S	S	.	.	H	α-helix	trans	-52.5	-42.1	175.8	-179.9	-174.9	174.7	-170.6	0	113.7	D449 K783 L784 K785 D791 K792	D449-K787 IonicContact OD1-NZ 2.63Å; D449-K787 WeakPolarHBondContact OD2-CE 3.39Å; D449-K787 IonicContact OD2-NZ 3.2Å; D449-K787 PolarHBondContact OD2-NZ 3.41Å; K783-K787 WeakPolarHBondContact O-CB 3.47Å; K783-K787 PolarHBondContact O-N 2.7Å; K783-K787 VanDerWaalsContact O-N 3.08Å; L784-K787 HydrophobicContact CD2-CD 4.37Å; K785-K787 PolarHBondContact O-N 2.93Å; K787-D791 WeakPolarHBondContact CA-OD2 3.45Å; K787-D791 PolarHBondContact N-OD2 3.5Å; K787-K792 WeakPolarHBondContact O-CG 3.42Å
788	W	94	Very high	85.1	Confident	9 Å²	9	62.3 Å²	62.3	3%	0.034	36%	0.355	C	S	.	.	H	α-helix	trans	-98.5	-19.8	-171.5	-72.4	106.3	0	0	0	114.8	P426 M429 E444 G445 D449 L784 K785 N786 K792	P426-W788 HydrophobicContact CB-CB 4.35Å; M429-W788 HydrophobicContact CE-CE3 4.01Å; M429-W788 HydrophobicContact CE-CZ3 3.58Å; E444-W788 HydrophobicContact CB-CH2 3.94Å; E444-W788 HydrophobicContact CG-CH2 4.13Å; E444-W788 HydrophobicContact CG-CZ3 4.48Å; G445-W788 VanDerWaalsContact C-CE2 3.42Å; G445-W788 VanDerWaalsContact CA-CH2 3.49Å; G445-W788 VanDerWaalsContact CA-CZ2 3.5Å; D449-W788 PolarHBondContact OD2-NE1 3.17Å; L784-W788 VanDerWaalsContact O-CD1 3.28Å; L784-W788 PolarHBondContact O-N 3.29Å; K785-W788 PolarHBondContact O-N 3.49Å; N786-W788 VanDerWaalsContact C-N 3.3Å; N786-W788 PolarHBondContact O-N 2.86Å; W788-K792 HydrophobicContact CE3-CD 3.81Å; W788-K792 HydrophobicContact CZ3-CD 3.87Å
789	W	92.1	Very high	82.4	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	36%	0.357	C	S	.	.	H	α-helix	trans	-100.4	-46.3	177.1	-85.3	-108.4	0	0	0	113.6	P426 Y427 Y446 M518 T729 K785	P426-W789 HydrophobicContact CG-CD2 4.16Å; P426-W789 HydrophobicContact CG-CE3 4.06Å; P426-W789 HydrophobicContact CG-CH2 3.6Å; P426-W789 HydrophobicContact CG-CZ2 3.7Å; P426-W789 HydrophobicContact CG-CZ3 3.8Å; Y427-W789 HydrophobicContact CD1-CH2 4.11Å; Y427-W789 AromaticContact CE1-CH2 3.56Å; Y427-W789 HydrophobicContact CE1-CH2 3.56Å; Y427-W789 AromaticContact CE1-CZ2 3.97Å; Y427-W789 HydrophobicContact CE1-CZ2 3.97Å; Y427-W789 AromaticContact CZ-CH2 3.87Å; Y427-W789 AromaticContact CZ-CZ2 3.79Å; Y446-W789 AromaticContact CD2-CZ3 3.72Å; Y446-W789 HydrophobicContact CD2-CZ3 3.72Å; Y446-W789 HydrophobicContact CG-CH2 4.36Å; Y446-W789 AromaticContact CG-CZ3 3.89Å; Y446-W789 HydrophobicContact CG-CZ3 3.89Å; M518-W789 HydrophobicContact CE-CH2 4.19Å; M518-W789 HydrophobicContact CE-CZ3 4.32Å; M518-W789 HydrophobicContact SD-CH2 4.49Å; T729-W789 PolarHBondContact O-NE1 2.83Å; K785-W789 HydrophobicContact CG-CD2 4.18Å; K785-W789 HydrophobicContact CG-CE3 4.01Å; K785-W789 HydrophobicContact CG-CG 4.47Å; K785-W789 WeakPolarHBondContact O-CB 3.24Å; K785-W789 PolarHBondContact O-N 3.14Å
790	Y	88.9	Confident	79.7	Confident	82 Å²	82	62.3 Å²	62.3	32%	0.322	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-47.3	-167.5	-52.4	-56.5	0	0	0	112.5	Q736 N786 K792 G793	Q736-Y790 HydrophobicContact CG-CD1 4.24Å; N786-Y790 HydrophobicContact CB-CD2 4.45Å; N786-Y790 PolarHBondContact O-N 2.78Å; N786-Y790 WeakPolarHBondContact OD1-CD2 3.28Å; Y790-K792 VanDerWaalsContact C-N 3.27Å; Y790-K792 PolarHBondContact O-N 3.5Å; Y790-G793 WeakPolarHBondContact O-CA 3.43Å; Y790-G793 PolarHBondContact O-N 3.14Å
791	D	88.3	Confident	77.3	Confident	125 Å²	125	65.8 Å²	65.8	67%	0.668	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.4	-178.6	-56.6	-14.4	0	0	0	112.1	N786 K787	N786-D791 PolarHBondContact O-N 3.13Å; K787-D791 WeakPolarHBondContact CA-OD2 3.45Å; K787-D791 PolarHBondContact N-OD2 3.5Å
792	K	85.1	Confident	74.7	Confident	89 Å²	89	70.9 Å²	70.9	39%	0.387	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12.6	171.2	-73.3	-175.9	173.7	-169.7	0	113	E444 K787 W788 Y790	E444-K792 IonicContact OE2-NZ 2.66Å; E444-K792 PolarHBondContact OE2-NZ 2.93Å; K787-K792 WeakPolarHBondContact O-CG 3.42Å; W788-K792 HydrophobicContact CE3-CD 3.81Å; W788-K792 HydrophobicContact CZ3-CD 3.87Å; Y790-K792 VanDerWaalsContact C-N 3.27Å; Y790-K792 PolarHBondContact O-N 3.5Å
793	G	82.6	Confident	72.2	Confident	26 Å²	26	75 Å²	75	27%	0.268	45%	0.453	S	S	.	.			trans	-62.1	136.6	174.8	0	0	0	0	0	111.4	Y790	Y790-G793 WeakPolarHBondContact O-CA 3.43Å; Y790-G793 PolarHBondContact O-N 3.14Å
794	E	84.9	Confident	69.8	Low	93 Å²	93	75.4 Å²	75.4	44%	0.435	46%	0.463	S	S	.	.	S	Bend	trans	-94.5	-14.9	175.6	-66.5	176.6	-174.4	0	0	112.5	Q736 R737 K738	Q736-E794 PolarHBondContact O-N 3.05Å; R737-E794 IonicContact CZ-OE1 3.88Å; R737-E794 IonicContact NH1-OE1 2.78Å; R737-E794 PolarHBondContact NH1-OE1 3.16Å; K738-E794 HydrophobicContact CD-CB 4.11Å; K738-E794 WeakPolarHBondContact CE-O 3.45Å; K738-E794 HydrophobicContact CG-CB 3.93Å; K738-E794 PolarHBondContact N-OE2 2.95Å
795	C	78.8	Confident	67.5	Low	14 Å²	14	83.4 Å²	83.4	10%	0.095	50%	0.497	C	S	.	.	S	Bend	trans	-95.9	129.3	169.3	-56.3	0	0	0	0	107.5	E735 Q736 R737 C740	E735-C795 PolarHBondContact O-SG 3.4Å; Q736-C795 PolarHBondContact O-N 2.75Å; Q736-C795 PolarHBondContact OE1-O 3.37Å; R737-C795 PolarHBondContact O-SG 2.84Å; C740-C795 VanDerWaalsContact CA-SG 3.53Å; C740-C795 HydrophobicContact CB-CB 3.94Å; C740-C795 WeakPolarHBondContact CB-SG 3.36Å; C740-C795 WeakPolarHBondContact SG-CB 3.38Å; C740-C795 CovalentContact SG-SG 2.03Å; C740-C795 PolarHBondContact SG-SG 3.1Å
796	G	62	Low	65.2	Low	62 Å²	62	87.8 Å²	87.8	64%	0.639	53%	0.527	S	S	*	.			trans	-64.9	139.7	179.2	0	0	0	0	0	111.9	G798	G796-G798 CarbonylContact C-O 3.6Å; G796-G798 PolarHBondContact O-N 3.47Å; G796-G798 VanDerWaalsContact O-N 3.1Å
797	S	46.3	Very low	63.4	Low	107 Å²	107	89.5 Å²	89.5	75%	0.748	55%	0.545	S	S	*	.	S	Bend	trans	-65.2	104.5	163.2	-69.8	0	0	0	0	108.8
798	G	44.2	Very low	61.7	Low	62 Å²	62	90.3 Å²	90.3	64%	0.639	57%	0.566	S	S	*	*	S	Bend	trans	95.2	130.8	-163.9	0	0	0	0	0	110.5	G796	G796-G798 CarbonylContact C-O 3.6Å; G796-G798 PolarHBondContact O-N 3.47Å; G796-G798 VanDerWaalsContact O-N 3.1Å
799	G	38.3	Very low	60.3	Low	57 Å²	57	94.9 Å²	94.9	59%	0.588	59%	0.591	S	S	*	*			trans	-57.5	147.4	-173.1	0	0	0	0	0	112.6	D801 S802	G799-D801 PolarHBondContact O-N 3.47Å; G799-S802 PolarHBondContact O-N 3.44Å
800	G	36.3	Very low	59.2	Low	87 Å²	87	97 Å²	97	90%	0.897	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	27.6	171.1	0	0	0	0	0	115
801	D	44.1	Very low	58.5	Low	111 Å²	111	99.2 Å²	99.2	59%	0.594	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	4.7	172.6	-79.8	-8.3	0	0	0	111.2	K531 G799 K803	K531-D801 IonicContact NZ-OD2 2.62Å; K531-D801 PolarHBondContact NZ-OD2 2.56Å; G799-D801 PolarHBondContact O-N 3.47Å; D801-K803 CarbonylContact O-C 3.49Å; D801-K803 PolarHBondContact O-N 3.28Å
802	S	40.2	Very low	57.7	Low	111 Å²	111	95.7 Å²	95.7	78%	0.776	61%	0.608	S	S	*	*			trans	-74	36.7	172.9	80.7	0	0	0	0	114	G799	G799-S802 PolarHBondContact O-N 3.44Å
803	K	40.8	Very low	57.1	Low	182 Å²	182	92.6 Å²	92.6	79%	0.791	60%	0.595	S	S	*	*	S	Bend	trans	-134	107.5	153.1	-86.4	-168.8	173.6	-175.7	0	105.3	D801 K805	D801-K803 CarbonylContact O-C 3.49Å; D801-K803 PolarHBondContact O-N 3.28Å; K803-K805 VanDerWaalsContact C-N 3.29Å; K803-K805 PolarHBondContact O-N 2.95Å
804	D	44.2	Very low	56.9	Low	157 Å²	157	93.5 Å²	93.5	84%	0.84	60%	0.595	S	S	*	*			trans	-54.5	89.5	178.5	-60	-76	0	0	0	111.3	T806	D804-T806 VanDerWaalsContact C-N 3.29Å; D804-T806 PolarHBondContact O-N 3.5Å; D804-T806 VanDerWaalsContact O-N 3.16Å
805	K	45.1	Very low	56.7	Low	182 Å²	182	89.8 Å²	89.8	79%	0.791	58%	0.581	S	S	*	*			trans	-76.2	95.6	155.1	-71.3	-173.8	-179.8	-179.5	0	105.2	K803 S807	K803-K805 VanDerWaalsContact C-N 3.29Å; K803-K805 PolarHBondContact O-N 2.95Å; K805-S807 WeakPolarHBondContact O-CA 3.42Å; K805-S807 PolarHBondContact O-N 3.34Å; K805-S807 PolarHBondContact O-OG 2.96Å; K805-S807 VanDerWaalsContact O-OG 3.08Å
806	T	46.3	Very low	57	Low	135 Å²	135	89.1 Å²	89.1	83%	0.828	58%	0.577	S	S	*	*			trans	-43.5	105	164.3	38.4	0	0	0	0	107.9	D804 A808	D804-T806 VanDerWaalsContact C-N 3.29Å; D804-T806 PolarHBondContact O-N 3.5Å; D804-T806 VanDerWaalsContact O-N 3.16Å; T806-A808 PolarHBondContact O-N 2.68Å
807	S	54.7	Low	58.2	Low	110 Å²	110	89.6 Å²	89.6	77%	0.769	57%	0.567	S	S	*	*			trans	-75.9	107.9	-164.1	-71.2	0	0	0	0	108.5	K805 L809	K805-S807 WeakPolarHBondContact O-CA 3.42Å; K805-S807 PolarHBondContact O-N 3.34Å; K805-S807 PolarHBondContact O-OG 2.96Å; K805-S807 VanDerWaalsContact O-OG 3.08Å; S807-L809 PolarHBondContact O-N 3.16Å
808	A	59.1	Low	60.2	Low	94 Å²	94	90 Å²	90	78%	0.777	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-59.3	132.4	179	0	0	0	0	0	109.8	T806 S810	T806-A808 PolarHBondContact O-N 2.68Å; A808-S810 PolarHBondContact O-N 3.49Å; A808-S810 VanDerWaalsContact O-N 3.15Å
809	L	64.8	Low	62.3	Low	106 Å²	106	94.4 Å²	94.4	56%	0.555	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-59.9	119	-178.4	-170.4	70.5	0	0	0	109.9	L646 S807 N813 V814	L646-L809 HydrophobicContact CD1-CD1 3.98Å; L646-L809 HydrophobicContact CD2-CD1 3.72Å; L646-L809 HydrophobicContact CG-CD1 4.47Å; S807-L809 PolarHBondContact O-N 3.16Å; L809-N813 HydrophobicContact CD1-CB 4.22Å; L809-V814 HydrophobicContact CD2-CG2 3.65Å; L809-V814 HydrophobicContact CG-CG2 4.11Å
810	S	68.1	Low	64.8	Low	44 Å²	44	96.4 Å²	96.4	31%	0.308	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-78	144.6	-176.7	97.1	0	0	0	0	111.3	A808 S812 N813	A808-S810 PolarHBondContact O-N 3.49Å; A808-S810 VanDerWaalsContact O-N 3.15Å; S810-S812 PolarHBondContact O-N 3.13Å; S810-S812 VanDerWaalsContact O-N 3.15Å; S810-S812 PolarHBondContact OG-N 3.44Å; S810-S812 PolarHBondContact OG-OG 3.44Å; S810-N813 WeakPolarHBondContact O-CB 3.42Å; S810-N813 PolarHBondContact O-N 3.14Å; S810-N813 PolarHBondContact OG-OD1 2.7Å
811	L	74.9	Confident	67.4	Low	129 Å²	129	97 Å²	97	68%	0.675	53%	0.532	S	S	*	.	H	α-helix	trans	-56.6	-31.8	176.1	-177.9	62.8	0	0	0	112	N813 V814 A815 F818	L811-N813 PolarHBondContact O-N 3Å; L811-V814 PolarHBondContact O-N 2.89Å; L811-V814 VanDerWaalsContact O-N 3.1Å; L811-A815 WeakPolarHBondContact O-CB 3.45Å; L811-A815 PolarHBondContact O-N 3.33Å; L811-F818 HydrophobicContact CD1-CE2 4.18Å
812	S	71.7	Confident	69.7	Low	52 Å²	52	96.6 Å²	96.6	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-58.3	-32	175.1	14.3	0	0	0	0	113.6	S810 V814	S810-S812 PolarHBondContact O-N 3.13Å; S810-S812 VanDerWaalsContact O-N 3.15Å; S810-S812 PolarHBondContact OG-N 3.44Å; S810-S812 PolarHBondContact OG-OG 3.44Å; S812-V814 VanDerWaalsContact C-N 3.27Å; S812-V814 PolarHBondContact O-N 2.9Å
813	N	72.4	Confident	72.2	Confident	23 Å²	23	93.4 Å²	93.4	12%	0.123	52%	0.518	C	S	.	.	H	α-helix	trans	-74.3	-19.9	-179.9	-57.8	22.9	0	0	0	112.1	P534 L809 S810 L811	P534-N813 WeakPolarHBondContact CG-OD1 3.46Å; L809-N813 HydrophobicContact CD1-CB 4.22Å; S810-N813 WeakPolarHBondContact O-CB 3.42Å; S810-N813 PolarHBondContact O-N 3.14Å; S810-N813 PolarHBondContact OG-OD1 2.7Å; L811-N813 PolarHBondContact O-N 3Å
814	V	77.3	Confident	74.7	Confident	45 Å²	45	86.7 Å²	86.7	27%	0.273	50%	0.5	S	S	.	.	H	α-helix	trans	-114.3	-9.9	-174.7	-167.3	0	0	0	0	112	L809 L811 S812 G816 V817 F818	L809-V814 HydrophobicContact CD2-CG2 3.65Å; L809-V814 HydrophobicContact CG-CG2 4.11Å; L811-V814 PolarHBondContact O-N 2.89Å; L811-V814 VanDerWaalsContact O-N 3.1Å; S812-V814 VanDerWaalsContact C-N 3.27Å; S812-V814 PolarHBondContact O-N 2.9Å; V814-G816 VanDerWaalsContact C-N 3.27Å; V814-G816 PolarHBondContact O-N 2.95Å; V814-G816 VanDerWaalsContact O-N 3.15Å; V814-V817 HydrophobicContact CG1-CB 4.28Å; V814-V817 HydrophobicContact CG1-CG2 4.22Å; V814-V817 WeakPolarHBondContact O-CB 3.43Å; V814-V817 PolarHBondContact O-N 3.4Å; V814-F818 HydrophobicContact CG1-CD2 4.39Å; V814-F818 HydrophobicContact CG1-CE2 4.02Å
815	A	82	Confident	77	Confident	16 Å²	16	84.4 Å²	84.4	13%	0.132	49%	0.488	C	S	.	.	H	α-helix	trans	-53.5	-38.4	-175.7	0	0	0	0	0	113.8	L811 V817 F818 Y819	L811-A815 WeakPolarHBondContact O-CB 3.45Å; L811-A815 PolarHBondContact O-N 3.33Å; A815-V817 VanDerWaalsContact C-N 3.27Å; A815-V817 PolarHBondContact O-N 3.01Å; A815-F818 PolarHBondContact O-N 3.06Å; A815-Y819 HydrophobicContact CB-CE2 4.24Å; A815-Y819 WeakPolarHBondContact O-CD2 3.49Å; A815-Y819 PolarHBondContact O-N 3.49Å; A815-Y819 VanDerWaalsContact O-N 3.08Å
816	G	84.6	Confident	79.3	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	47%	0.471	C	S	.	.	H	α-helix	trans	-61.6	-31.9	177.3	0	0	0	0	0	114.1	V536 V814 Y819 I820	V536-G816 VanDerWaalsContact O-CA 3.3Å; V536-G816 WeakPolarHBondContact O-CA 3.49Å; V536-G816 PolarHBondContact O-N 3.13Å; V814-G816 VanDerWaalsContact C-N 3.27Å; V814-G816 PolarHBondContact O-N 2.95Å; V814-G816 VanDerWaalsContact O-N 3.15Å; G816-Y819 PolarHBondContact O-N 2.91Å; G816-I820 WeakPolarHBondContact O-CG1 3.43Å; G816-I820 PolarHBondContact O-N 3.01Å
817	V	87.8	Confident	81.5	Confident	72 Å²	72	76.5 Å²	76.5	44%	0.436	46%	0.458	S	S	.	.	H	α-helix	trans	-66.5	-41.4	176.7	-173.2	0	0	0	0	110.4	F539 V814 A815 I820 L821	F539-V817 HydrophobicContact CD1-CG2 4Å; F539-V817 HydrophobicContact CE1-CG2 4.15Å; F539-V817 HydrophobicContact CG-CG2 4.27Å; V814-V817 HydrophobicContact CG1-CB 4.28Å; V814-V817 HydrophobicContact CG1-CG2 4.22Å; V814-V817 WeakPolarHBondContact O-CB 3.43Å; V814-V817 PolarHBondContact O-N 3.4Å; A815-V817 VanDerWaalsContact C-N 3.27Å; A815-V817 PolarHBondContact O-N 3.01Å; V817-I820 PolarHBondContact O-N 3.44Å; V817-L821 WeakPolarHBondContact O-CB 3.2Å; V817-L821 PolarHBondContact O-N 2.86Å
818	F	87.3	Confident	83.2	Confident	116 Å²	116	74.2 Å²	74.2	51%	0.509	45%	0.446	S	S	.	.	H	α-helix	trans	-65.8	-38.4	174.4	-71.7	-80.5	0	0	0	112.4	L811 V814 A815 L821 V822	L811-F818 HydrophobicContact CD1-CE2 4.18Å; V814-F818 HydrophobicContact CG1-CD2 4.39Å; V814-F818 HydrophobicContact CG1-CE2 4.02Å; A815-F818 PolarHBondContact O-N 3.06Å; F818-L821 PolarHBondContact O-N 3.37Å; F818-V822 WeakPolarHBondContact O-CG2 3.47Å; F818-V822 PolarHBondContact O-N 2.93Å
819	Y	89.5	Confident	84.8	Confident	153 Å²	153	76.4 Å²	76.4	60%	0.6	44%	0.442	S	S	*	.	H	α-helix	trans	-64.2	-41.2	175.5	-60.7	-32.8	0	0	0	112.3	V536 A815 G816 G823	V536-Y819 HydrophobicContact CG1-CD2 3.65Å; V536-Y819 HydrophobicContact CG1-CE2 3.64Å; A815-Y819 HydrophobicContact CB-CE2 4.24Å; A815-Y819 WeakPolarHBondContact O-CD2 3.49Å; A815-Y819 PolarHBondContact O-N 3.49Å; A815-Y819 VanDerWaalsContact O-N 3.08Å; G816-Y819 PolarHBondContact O-N 2.91Å; Y819-G823 PolarHBondContact O-N 2.93Å
820	I	90.6	Very high	86	Confident	99 Å²	99	75.9 Å²	75.9	51%	0.508	44%	0.439	S	S	.	.	H	α-helix	trans	-64.6	-43	175.1	-68.9	168.6	0	0	0	110.9	F537 F539 G816 V817 G823 G824	F537-I820 HydrophobicContact CE1-CD1 4.46Å; F539-I820 HydrophobicContact CE2-CD1 4.44Å; F539-I820 HydrophobicContact CZ-CD1 3.68Å; G816-I820 WeakPolarHBondContact O-CG1 3.43Å; G816-I820 PolarHBondContact O-N 3.01Å; V817-I820 PolarHBondContact O-N 3.44Å; I820-G823 PolarHBondContact O-N 2.93Å; I820-G824 PolarHBondContact O-N 3.47Å
821	L	90.3	Very high	87.1	Confident	100 Å²	100	77 Å²	77	52%	0.524	44%	0.444	S	S	.	.	H	α-helix	trans	-59.6	-50	177.2	178.2	62.3	0	0	0	112.1	V817 F818 G824 L825	V817-L821 WeakPolarHBondContact O-CB 3.2Å; V817-L821 PolarHBondContact O-N 2.86Å; F818-L821 PolarHBondContact O-N 3.37Å; L821-G824 PolarHBondContact O-N 2.99Å; L821-L825 HydrophobicContact CD1-CD1 4.32Å; L821-L825 HydrophobicContact CD1-CG 4.47Å; L821-L825 HydrophobicContact CG-CD1 4.29Å; L821-L825 WeakPolarHBondContact O-CG 3.45Å; L821-L825 PolarHBondContact O-N 3.46Å
822	V	92.3	Very high	87.7	Confident	102 Å²	102	73.6 Å²	73.6	62%	0.618	43%	0.434	S	S	*	.	H	α-helix	trans	-65	-40.6	179.1	174.1	0	0	0	0	111.3	F818 L825 G826	F818-V822 WeakPolarHBondContact O-CG2 3.47Å; F818-V822 PolarHBondContact O-N 2.93Å; V822-L825 PolarHBondContact O-N 3.37Å; V822-G826 PolarHBondContact O-N 2.82Å
823	G	93.4	Very high	88.4	Confident	44 Å²	44	76 Å²	76	45%	0.454	44%	0.442	S	S	.	.	H	α-helix	trans	-61.2	-43.2	174.2	0	0	0	0	0	112.8	Y819 I820 G826 L827	Y819-G823 PolarHBondContact O-N 2.93Å; I820-G823 PolarHBondContact O-N 2.93Å; G823-G826 PolarHBondContact O-N 3.27Å; G823-L827 WeakPolarHBondContact O-CB 3.48Å; G823-L827 PolarHBondContact O-N 3.34Å
824	G	92.4	Very high	89.2	Confident	41 Å²	41	79.6 Å²	79.6	42%	0.423	46%	0.46	S	S	.	.	H	α-helix	trans	-63.9	-43.9	176.8	0	0	0	0	0	113	I820 L821 L827 A828	I820-G824 PolarHBondContact O-N 3.47Å; L821-G824 PolarHBondContact O-N 2.99Å; G824-L827 PolarHBondContact O-N 3.07Å; G824-A828 WeakPolarHBondContact O-CB 3.32Å; G824-A828 PolarHBondContact O-N 3.02Å
825	L	93.2	Very high	89.7	Confident	110 Å²	110	83.6 Å²	83.6	58%	0.576	48%	0.476	S	S	*	.	H	α-helix	trans	-62.7	-41.8	174.6	-70.6	170.8	0	0	0	112	L821 V822 A828 M829	L821-L825 HydrophobicContact CD1-CD1 4.32Å; L821-L825 HydrophobicContact CD1-CG 4.47Å; L821-L825 HydrophobicContact CG-CD1 4.29Å; L821-L825 WeakPolarHBondContact O-CG 3.45Å; L821-L825 PolarHBondContact O-N 3.46Å; V822-L825 PolarHBondContact O-N 3.37Å; L825-A828 PolarHBondContact O-N 3.42Å; L825-M829 WeakPolarHBondContact O-CB 3.4Å; L825-M829 PolarHBondContact O-N 3.19Å
826	G	92.1	Very high	89.7	Confident	42 Å²	42	85.8 Å²	85.8	43%	0.433	48%	0.483	S	S	.	.	H	α-helix	trans	-62.8	-42.6	174.8	0	0	0	0	0	112.8	V822 G823 M829 L830	V822-G826 PolarHBondContact O-N 2.82Å; G823-G826 PolarHBondContact O-N 3.27Å; G826-M829 PolarHBondContact O-N 3.15Å; G826-L830 WeakPolarHBondContact O-CB 3.47Å; G826-L830 PolarHBondContact O-N 2.94Å
827	L	92.4	Very high	89.5	Confident	109 Å²	109	87.8 Å²	87.8	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-43.9	176.4	-177.6	62	0	0	0	111.9	G823 G824 M829 L830 V831	G823-L827 WeakPolarHBondContact O-CB 3.48Å; G823-L827 PolarHBondContact O-N 3.34Å; G824-L827 PolarHBondContact O-N 3.07Å; L827-M829 PolarHBondContact O-N 3.32Å; L827-L830 WeakPolarHBondContact O-CB 3.47Å; L827-L830 PolarHBondContact O-N 3.48Å; L827-V831 HydrophobicContact CD1-CG2 4.46Å; L827-V831 WeakPolarHBondContact O-CG2 3.27Å; L827-V831 PolarHBondContact O-N 3.02Å
828	A	92.1	Very high	89.3	Confident	61 Å²	61	93 Å²	93	50%	0.504	51%	0.509	S	S	.	.	H	α-helix	trans	-61.3	-43.6	176.8	0	0	0	0	0	111.9	G824 L825 L830 V831 A832	G824-A828 WeakPolarHBondContact O-CB 3.32Å; G824-A828 PolarHBondContact O-N 3.02Å; L825-A828 PolarHBondContact O-N 3.42Å; A828-L830 VanDerWaalsContact C-N 3.34Å; A828-L830 PolarHBondContact O-N 2.65Å; A828-V831 PolarHBondContact O-N 3.28Å; A828-A832 WeakPolarHBondContact O-CB 3.46Å; A828-A832 PolarHBondContact O-N 2.9Å
829	M	90.9	Very high	89	Confident	141 Å²	141	93.8 Å²	93.8	70%	0.695	51%	0.513	S	S	*	.	H	α-helix	trans	-62.5	-40.4	175	-172	-175.9	-65.9	0	0	111.9	L825 G826 L827 L833	L825-M829 WeakPolarHBondContact O-CB 3.4Å; L825-M829 PolarHBondContact O-N 3.19Å; G826-M829 PolarHBondContact O-N 3.15Å; L827-M829 PolarHBondContact O-N 3.32Å; M829-L833 WeakPolarHBondContact O-CB 3.35Å; M829-L833 PolarHBondContact O-N 3.35Å
830	L	90.9	Very high	88.2	Confident	95 Å²	95	86.5 Å²	86.5	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-45.5	176.3	179.5	63.3	0	0	0	111.9	G826 L827 A828 L833 I834	G826-L830 WeakPolarHBondContact O-CB 3.47Å; G826-L830 PolarHBondContact O-N 2.94Å; L827-L830 WeakPolarHBondContact O-CB 3.47Å; L827-L830 PolarHBondContact O-N 3.48Å; A828-L830 VanDerWaalsContact C-N 3.34Å; A828-L830 PolarHBondContact O-N 2.65Å; L830-L833 PolarHBondContact O-N 3.01Å; L830-I834 HydrophobicContact CD1-CD1 4.08Å; L830-I834 HydrophobicContact CD1-CG1 4.43Å; L830-I834 HydrophobicContact CG-CD1 3.92Å; L830-I834 VanDerWaalsContact O-CG1 3.28Å; L830-I834 WeakPolarHBondContact O-CG1 3.36Å; L830-I834 PolarHBondContact O-N 3.31Å
831	V	91.8	Very high	87.5	Confident	68 Å²	68	89.6 Å²	89.6	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-47.5	176.9	172.2	0	0	0	0	110.7	L827 A828 L833 I834 E835	L827-V831 HydrophobicContact CD1-CG2 4.46Å; L827-V831 WeakPolarHBondContact O-CG2 3.27Å; L827-V831 PolarHBondContact O-N 3.02Å; A828-V831 PolarHBondContact O-N 3.28Å; V831-L833 VanDerWaalsContact C-N 3.29Å; V831-L833 PolarHBondContact O-N 3.36Å; V831-I834 PolarHBondContact O-N 3.02Å; V831-I834 VanDerWaalsContact O-N 3.13Å; V831-E835 HydrophobicContact CG1-CG 4.43Å; V831-E835 PolarHBondContact O-N 3.41Å
832	A	87.6	Confident	86.7	Confident	56 Å²	56	87.3 Å²	87.3	46%	0.463	49%	0.485	S	S	.	.	H	α-helix	trans	-59	-38.9	177	0	0	0	0	0	112.6	A828 F836	A828-A832 WeakPolarHBondContact O-CB 3.46Å; A828-A832 PolarHBondContact O-N 2.9Å; A832-F836 VanDerWaalsContact O-CB 3.24Å; A832-F836 WeakPolarHBondContact O-CB 3.26Å; A832-F836 PolarHBondContact O-N 3.03Å
833	L	86.5	Confident	85.5	Confident	103 Å²	103	85.6 Å²	85.6	54%	0.539	47%	0.47	S	S	.	.	H	α-helix	trans	-67.6	-41.5	175.8	-167.1	152.4	0	0	0	111.6	M829 L830 V831 F836 C837	M829-L833 WeakPolarHBondContact O-CB 3.35Å; M829-L833 PolarHBondContact O-N 3.35Å; L830-L833 PolarHBondContact O-N 3.01Å; V831-L833 VanDerWaalsContact C-N 3.29Å; V831-L833 PolarHBondContact O-N 3.36Å; L833-F836 PolarHBondContact O-N 2.78Å; L833-C837 WeakPolarHBondContact O-CB 3.5Å; L833-C837 PolarHBondContact O-N 2.97Å; L833-C837 PolarHBondContact O-SG 3.12Å; L833-C837 VanDerWaalsContact O-SG 3.35Å
834	I	87.6	Confident	83.9	Confident	98 Å²	98	84 Å²	84	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-63.6	-45.8	175.3	-69.1	165.4	0	0	0	111	L830 V831 C837 Y838	L830-I834 HydrophobicContact CD1-CD1 4.08Å; L830-I834 HydrophobicContact CD1-CG1 4.43Å; L830-I834 HydrophobicContact CG-CD1 3.92Å; L830-I834 VanDerWaalsContact O-CG1 3.28Å; L830-I834 WeakPolarHBondContact O-CG1 3.36Å; L830-I834 PolarHBondContact O-N 3.31Å; V831-I834 PolarHBondContact O-N 3.02Å; V831-I834 VanDerWaalsContact O-N 3.13Å; I834-C837 PolarHBondContact O-N 3.47Å; I834-Y838 VanDerWaalsContact O-CB 3.32Å; I834-Y838 WeakPolarHBondContact O-CB 3.46Å; I834-Y838 PolarHBondContact O-N 3.35Å
835	E	88.3	Confident	82.7	Confident	130 Å²	130	90.7 Å²	90.7	61%	0.607	47%	0.47	S	S	*	.	H	α-helix	trans	-61.3	-46.2	175.9	-75.2	-171.4	-178.7	0	0	111.9	V831 C837 Y838 K839	V831-E835 HydrophobicContact CG1-CG 4.43Å; V831-E835 PolarHBondContact O-N 3.41Å; E835-C837 VanDerWaalsContact C-N 3.34Å; E835-C837 PolarHBondContact O-N 3.34Å; E835-Y838 PolarHBondContact O-N 3.49Å; E835-K839 VanDerWaalsContact O-CB 3.27Å; E835-K839 WeakPolarHBondContact O-CB 3.37Å; E835-K839 PolarHBondContact O-N 3.09Å
836	F	81.9	Confident	81.4	Confident	62 Å²	62	96.3 Å²	96.3	27%	0.272	48%	0.484	S	S	.	.	H	α-helix	trans	-58.8	-45.7	176.2	178.4	-94.2	0	0	0	111.3	A832 L833 S840 I855 K858 A859	A832-F836 VanDerWaalsContact O-CB 3.24Å; A832-F836 WeakPolarHBondContact O-CB 3.26Å; A832-F836 PolarHBondContact O-N 3.03Å; L833-F836 PolarHBondContact O-N 2.78Å; F836-S840 WeakPolarHBondContact O-CB 3.45Å; F836-S840 PolarHBondContact O-N 3.04Å; F836-S840 PolarHBondContact O-OG 3.4Å; F836-I855 HydrophobicContact CE1-CG2 4.31Å; F836-K858 HydrophobicContact CE2-CB 3.88Å; F836-K858 HydrophobicContact CE2-CD 4.1Å; F836-K858 HydrophobicContact CE2-CG 3.88Å; F836-K858 HydrophobicContact CZ-CB 3.9Å; F836-K858 HydrophobicContact CZ-CG 4.41Å; F836-A859 HydrophobicContact CZ-CB 4.32Å
837	C	81.5	Confident	79.9	Confident	42 Å²	42	99.8 Å²	99.8	28%	0.284	49%	0.49	S	S	.	.	H	α-helix	trans	-62.7	-46	174.4	-76.3	0	0	0	0	112.3	L833 I834 E835 S840 R841	L833-C837 WeakPolarHBondContact O-CB 3.5Å; L833-C837 PolarHBondContact O-N 2.97Å; L833-C837 PolarHBondContact O-SG 3.12Å; L833-C837 VanDerWaalsContact O-SG 3.35Å; I834-C837 PolarHBondContact O-N 3.47Å; E835-C837 VanDerWaalsContact C-N 3.34Å; E835-C837 PolarHBondContact O-N 3.34Å; C837-S840 PolarHBondContact O-N 3.1Å; C837-R841 WeakPolarHBondContact O-CB 3.32Å; C837-R841 PolarHBondContact O-N 3.1Å
838	Y	83.6	Confident	78.3	Confident	180 Å²	180	104.2 Å²	104.2	71%	0.706	51%	0.505	S	S	*	.	H	α-helix	trans	-65.2	-49.1	-177.9	-172.5	-98.6	0	0	0	111.9	I834 E835 S840 R841 A842	I834-Y838 VanDerWaalsContact O-CB 3.32Å; I834-Y838 WeakPolarHBondContact O-CB 3.46Å; I834-Y838 PolarHBondContact O-N 3.35Å; E835-Y838 PolarHBondContact O-N 3.49Å; Y838-S840 VanDerWaalsContact C-N 3.34Å; Y838-S840 PolarHBondContact O-N 3.31Å; Y838-R841 WeakPolarHBondContact O-CB 3.44Å; Y838-R841 PolarHBondContact O-N 2.88Å; Y838-R841 VanDerWaalsContact O-N 3.12Å; Y838-A842 PolarHBondContact O-N 2.87Å
839	K	80.5	Confident	76.7	Confident	133 Å²	133	105.1 Å²	105.1	58%	0.578	50%	0.5	S	S	*	.	H	α-helix	trans	-63.7	-39.3	178.2	-163.6	172	-174.7	173.3	0	111.5	E835 R841 A842 E843	E835-K839 VanDerWaalsContact O-CB 3.27Å; E835-K839 WeakPolarHBondContact O-CB 3.37Å; E835-K839 PolarHBondContact O-N 3.09Å; K839-R841 VanDerWaalsContact C-N 3.34Å; K839-R841 PolarHBondContact O-N 3.18Å; K839-A842 PolarHBondContact O-N 3.05Å; K839-E843 WeakPolarHBondContact O-CB 3.42Å; K839-E843 PolarHBondContact O-N 3.35Å
840	S	73.3	Confident	75.3	Confident	1 Å²	1	102.3 Å²	102.3	1%	0.007	49%	0.492	C	S	.	.	H	α-helix	trans	-65.3	-35.1	173.2	-58.2	0	0	0	0	112.5	F836 C837 Y838 A844	F836-S840 WeakPolarHBondContact O-CB 3.45Å; F836-S840 PolarHBondContact O-N 3.04Å; F836-S840 PolarHBondContact O-OG 3.4Å; C837-S840 PolarHBondContact O-N 3.1Å; Y838-S840 VanDerWaalsContact C-N 3.34Å; Y838-S840 PolarHBondContact O-N 3.31Å; S840-A844 VanDerWaalsContact O-CB 3.24Å; S840-A844 WeakPolarHBondContact O-CB 3.36Å; S840-A844 PolarHBondContact O-N 2.71Å
841	R	74.1	Confident	73.8	Confident	164 Å²	164	101.8 Å²	101.8	62%	0.619	49%	0.485	S	S	*	.	H	α-helix	trans	-71.3	-37.8	176.2	-142.8	168.5	-161	-170.7	4.6	112.3	C837 Y838 K839 K845 F851	C837-R841 WeakPolarHBondContact O-CB 3.32Å; C837-R841 PolarHBondContact O-N 3.1Å; Y838-R841 WeakPolarHBondContact O-CB 3.44Å; Y838-R841 PolarHBondContact O-N 2.88Å; Y838-R841 VanDerWaalsContact O-N 3.12Å; K839-R841 VanDerWaalsContact C-N 3.34Å; K839-R841 PolarHBondContact O-N 3.18Å; R841-K845 PolarHBondContact O-N 2.62Å; R841-K845 VanDerWaalsContact O-N 3.15Å; R841-F851 HydrophobicContact CB-CD2 4.22Å; R841-F851 HydrophobicContact CB-CE2 3.78Å; R841-F851 HydrophobicContact CG-CD2 3.81Å; R841-F851 HydrophobicContact CG-CE2 3.6Å; R841-F851 HydrophobicContact CG-CZ 4.46Å
842	A	74.6	Confident	72.3	Confident	52 Å²	52	102.9 Å²	102.9	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-66.7	-44.5	174.9	0	0	0	0	0	111.8	Y838 K839 K845 R846	Y838-A842 PolarHBondContact O-N 2.87Å; K839-A842 PolarHBondContact O-N 3.05Å; A842-K845 PolarHBondContact O-N 3.02Å; A842-R846 PolarHBondContact O-N 2.7Å
843	E	66.1	Low	71.1	Confident	66 Å²	66	104.8 Å²	104.8	31%	0.308	50%	0.495	S	S	.	.	H	α-helix	trans	-68.6	-37.5	175.2	-77.4	167.8	-154.3	0	0	112.8	K839 K845 R846 M847 K858	K839-E843 WeakPolarHBondContact O-CB 3.42Å; K839-E843 PolarHBondContact O-N 3.35Å; E843-K845 VanDerWaalsContact C-N 3.31Å; E843-K845 PolarHBondContact O-N 3.46Å; E843-R846 CarbonylContact O-C 3.59Å; E843-R846 PolarHBondContact O-N 3.04Å; E843-M847 HydrophobicContact CB-CE 4.33Å; E843-M847 PolarHBondContact O-N 3.15Å; E843-K858 IonicContact OE1-NZ 2.71Å; E843-K858 PolarHBondContact OE1-NZ 3.4Å; E843-K858 IonicContact OE2-NZ 2.65Å; E843-K858 PolarHBondContact OE2-NZ 2.88Å
844	A	61.5	Low	69.8	Low	9 Å²	9	100.5 Å²	100.5	7%	0.074	47%	0.474	C	S	.	.	H	α-helix	trans	-58.9	-41.5	172.8	0	0	0	0	0	111.8	S840 K848 L849 A854	S840-A844 VanDerWaalsContact O-CB 3.24Å; S840-A844 WeakPolarHBondContact O-CB 3.36Å; S840-A844 PolarHBondContact O-N 2.71Å; A844-K848 PolarHBondContact O-N 3.42Å; A844-L849 PolarHBondContact O-N 3.39Å; A844-A854 HydrophobicContact CB-CB 3.88Å
845	K	67.3	Low	68.8	Low	182 Å²	182	98 Å²	98	79%	0.791	46%	0.462	S	S	*	.	H	α-helix	trans	-62.8	-38.8	170.4	-83.3	-171.5	173	-174	0	112.7	R841 A842 E843	R841-K845 PolarHBondContact O-N 2.62Å; R841-K845 VanDerWaalsContact O-N 3.15Å; A842-K845 PolarHBondContact O-N 3.02Å; E843-K845 VanDerWaalsContact C-N 3.31Å; E843-K845 PolarHBondContact O-N 3.46Å
846	R	65.4	Low	67.7	Low	228 Å²	228	101.2 Å²	101.2	86%	0.86	47%	0.468	S	S	*	.	H	α-helix	trans	-73.9	-30.2	-178.1	-155.1	176.4	-171.8	-177.5	2.4	113.2	A842 E843	A842-R846 PolarHBondContact O-N 2.7Å; E843-R846 CarbonylContact O-C 3.59Å; E843-R846 PolarHBondContact O-N 3.04Å
847	M	61.2	Low	66.8	Low	115 Å²	115	103 Å²	103	57%	0.567	48%	0.481	S	S	*	.	H	α-helix	trans	-105.2	1.5	-177.9	-64	-164.8	-72.6	0	0	114.8	E843 L849	E843-M847 HydrophobicContact CB-CE 4.33Å; E843-M847 PolarHBondContact O-N 3.15Å; M847-L849 VanDerWaalsContact C-N 3.3Å; M847-L849 HydrophobicContact CB-CD1 4.22Å; M847-L849 HydrophobicContact CB-CG 4.42Å; M847-L849 HydrophobicContact CE-CD1 4.47Å; M847-L849 PolarHBondContact O-N 3.15Å
848	K	57.1	Low	65.8	Low	203 Å²	203	103.2 Å²	103.2	88%	0.883	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	37.6	-177.8	-61.4	-176.8	177.3	178.8	0	114.5	A844	A844-K848 PolarHBondContact O-N 3.42Å
849	L	60.2	Low	64.8	Low	79 Å²	79	96.1 Å²	96.1	41%	0.414	46%	0.456	S	S	.	.			trans	-102.8	159.8	177.1	-72.4	169.5	0	0	0	112	A844 M847	A844-L849 PolarHBondContact O-N 3.39Å; M847-L849 VanDerWaalsContact C-N 3.3Å; M847-L849 HydrophobicContact CB-CD1 4.22Å; M847-L849 HydrophobicContact CB-CG 4.42Å; M847-L849 HydrophobicContact CE-CD1 4.47Å; M847-L849 PolarHBondContact O-N 3.15Å
850	T	61.2	Low	63.8	Low	83 Å²	83	98.5 Å²	98.5	51%	0.509	46%	0.461	S	S	.	.			trans	-71	144.9	173.1	71.7	0	0	0	0	111.1	S852 E853 A854	T850-S852 PolarHBondContact O-N 2.92Å; T850-E853 PolarHBondContact O-N 2.99Å; T850-E853 VanDerWaalsContact O-N 3.08Å; T850-E853 WeakPolarHBondContact OG1-CG 3.48Å; T850-E853 PolarHBondContact OG1-OE2 3.35Å; T850-A854 PolarHBondContact O-N 3.33Å
851	F	58.2	Low	63.2	Low	84 Å²	84	102.6 Å²	102.6	37%	0.368	48%	0.482	S	S	.	.	H	α-helix	trans	-58.4	-33.6	-174.9	-179.7	-118.5	0	0	0	113.2	R841 I855	R841-F851 HydrophobicContact CB-CD2 4.22Å; R841-F851 HydrophobicContact CB-CE2 3.78Å; R841-F851 HydrophobicContact CG-CD2 3.81Å; R841-F851 HydrophobicContact CG-CE2 3.6Å; R841-F851 HydrophobicContact CG-CZ 4.46Å; F851-I855 HydrophobicContact CD1-CD1 4.13Å; F851-I855 HydrophobicContact CD2-CD1 4.26Å; F851-I855 HydrophobicContact CE1-CD1 3.61Å; F851-I855 HydrophobicContact CE2-CD1 3.75Å; F851-I855 HydrophobicContact CE2-CG1 4.34Å; F851-I855 HydrophobicContact CG-CD1 4.45Å; F851-I855 HydrophobicContact CZ-CD1 3.42Å; F851-I855 VanDerWaalsContact CZ-CD1 3.42Å; F851-I855 HydrophobicContact CZ-CG1 4.46Å; F851-I855 PolarHBondContact O-N 3.47Å
852	S	60.8	Low	62.6	Low	90 Å²	90	99.3 Å²	99.3	63%	0.629	48%	0.484	S	S	*	.	H	α-helix	trans	-69.7	-32.4	178.4	-166.6	0	0	0	0	113.1	T850 R856	T850-S852 PolarHBondContact O-N 2.92Å; S852-R856 WeakPolarHBondContact O-CB 3.44Å; S852-R856 PolarHBondContact O-N 2.88Å; S852-R856 VanDerWaalsContact O-N 3.13Å
853	E	61.7	Low	62	Low	97 Å²	97	103.5 Å²	103.5	45%	0.453	50%	0.498	S	S	.	.	H	α-helix	trans	-77.7	-40.8	179.1	-68.5	168.9	135.5	0	0	111.3	T850 I855 R856 N857	T850-E853 PolarHBondContact O-N 2.99Å; T850-E853 VanDerWaalsContact O-N 3.08Å; T850-E853 WeakPolarHBondContact OG1-CG 3.48Å; T850-E853 PolarHBondContact OG1-OE2 3.35Å; E853-I855 PolarHBondContact O-N 3.17Å; E853-R856 PolarHBondContact O-N 3.11Å; E853-N857 PolarHBondContact O-N 3.46Å
854	A	60	Low	61.6	Low	12 Å²	12	104.6 Å²	104.6	10%	0.099	51%	0.509	C	S	.	.	H	α-helix	trans	-58.7	-45.6	174.7	0	0	0	0	0	111.8	A844 T850 K858	A844-A854 HydrophobicContact CB-CB 3.88Å; T850-A854 PolarHBondContact O-N 3.33Å; A854-K858 WeakPolarHBondContact O-CB 3.4Å; A854-K858 PolarHBondContact O-N 3.09Å
855	I	66.4	Low	60.9	Low	47 Å²	47	107.5 Å²	107.5	24%	0.241	54%	0.54	C	S	.	.	H	α-helix	trans	-62.7	-45.9	174.2	-76.2	175.7	0	0	0	111.3	F836 F851 E853 N857 K858 A859	F836-I855 HydrophobicContact CE1-CG2 4.31Å; F851-I855 HydrophobicContact CD1-CD1 4.13Å; F851-I855 HydrophobicContact CD2-CD1 4.26Å; F851-I855 HydrophobicContact CE1-CD1 3.61Å; F851-I855 HydrophobicContact CE2-CD1 3.75Å; F851-I855 HydrophobicContact CE2-CG1 4.34Å; F851-I855 HydrophobicContact CG-CD1 4.45Å; F851-I855 HydrophobicContact CZ-CD1 3.42Å; F851-I855 VanDerWaalsContact CZ-CD1 3.42Å; F851-I855 HydrophobicContact CZ-CG1 4.46Å; F851-I855 PolarHBondContact O-N 3.47Å; E853-I855 PolarHBondContact O-N 3.17Å; I855-N857 PolarHBondContact O-N 2.81Å; I855-K858 PolarHBondContact O-N 3.06Å; I855-A859 VanDerWaalsContact O-CB 3.25Å; I855-A859 WeakPolarHBondContact O-CB 3.25Å; I855-A859 PolarHBondContact O-N 3.33Å
856	R	65.4	Low	59.6	Low	197 Å²	197	102.1 Å²	102.1	74%	0.743	53%	0.526	S	S	*	.	H	α-helix	trans	-62.3	-42.8	-177.2	-169.1	177.8	-170.9	-179.2	3.2	112.3	S852 E853 R860	S852-R856 WeakPolarHBondContact O-CB 3.44Å; S852-R856 PolarHBondContact O-N 2.88Å; S852-R856 VanDerWaalsContact O-N 3.13Å; E853-R856 PolarHBondContact O-N 3.11Å; R856-R860 PolarHBondContact O-N 3.42Å; R856-R860 VanDerWaalsContact O-N 3.12Å
857	N	62.5	Low	58.6	Low	100 Å²	100	97 Å²	97	54%	0.535	52%	0.52	S	S	.	.	H	α-helix	trans	-66.6	-41.2	178.3	-73.3	-11.8	0	0	0	111.7	E853 I855 R860 L861	E853-N857 PolarHBondContact O-N 3.46Å; I855-N857 PolarHBondContact O-N 2.81Å; N857-R860 WeakPolarHBondContact O-CB 3.34Å; N857-R860 PolarHBondContact O-N 3.46Å; N857-L861 PolarHBondContact O-N 2.9Å
858	K	61.8	Low	57.5	Low	46 Å²	46	94.1 Å²	94.1	20%	0.2	52%	0.519	C	S	.	.	H	α-helix	trans	-76.9	-32.3	-178.4	-146.1	173.2	-164.5	164.2	0	113.4	F836 E843 A854 I855 R860 L861 S862	F836-K858 HydrophobicContact CE2-CB 3.88Å; F836-K858 HydrophobicContact CE2-CD 4.1Å; F836-K858 HydrophobicContact CE2-CG 3.88Å; F836-K858 HydrophobicContact CZ-CB 3.9Å; F836-K858 HydrophobicContact CZ-CG 4.41Å; E843-K858 IonicContact OE1-NZ 2.71Å; E843-K858 PolarHBondContact OE1-NZ 3.4Å; E843-K858 IonicContact OE2-NZ 2.65Å; E843-K858 PolarHBondContact OE2-NZ 2.88Å; A854-K858 WeakPolarHBondContact O-CB 3.4Å; A854-K858 PolarHBondContact O-N 3.09Å; I855-K858 PolarHBondContact O-N 3.06Å; K858-R860 VanDerWaalsContact C-N 3.31Å; K858-L861 WeakPolarHBondContact O-CB 3.45Å; K858-L861 PolarHBondContact O-N 2.78Å; K858-S862 WeakPolarHBondContact O-CB 3.22Å; K858-S862 PolarHBondContact O-N 3.25Å
859	A	61.8	Low	56.6	Low	31 Å²	31	93.2 Å²	93.2	26%	0.256	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-39.4	169.7	0	0	0	0	0	110.8	F836 I855 S862 I863	F836-A859 HydrophobicContact CZ-CB 4.32Å; I855-A859 VanDerWaalsContact O-CB 3.25Å; I855-A859 WeakPolarHBondContact O-CB 3.25Å; I855-A859 PolarHBondContact O-N 3.33Å; A859-S862 PolarHBondContact O-N 3.35Å; A859-I863 WeakPolarHBondContact O-CB 3.49Å; A859-I863 WeakPolarHBondContact O-CD1 3.44Å; A859-I863 VanDerWaalsContact O-CG1 3.22Å; A859-I863 WeakPolarHBondContact O-CG1 3.42Å; A859-I863 PolarHBondContact O-N 3.48Å
860	R	59	Low	55.4	Low	182 Å²	182	96.7 Å²	96.7	69%	0.687	54%	0.537	S	S	*	.	H	α-helix	trans	-60.7	-50.2	172.1	-145.1	175.5	-170	179.5	0.1	111	R856 N857 K858 S862 I863 T864	R856-R860 PolarHBondContact O-N 3.42Å; R856-R860 VanDerWaalsContact O-N 3.12Å; N857-R860 WeakPolarHBondContact O-CB 3.34Å; N857-R860 PolarHBondContact O-N 3.46Å; K858-R860 VanDerWaalsContact C-N 3.31Å; R860-S862 VanDerWaalsContact C-N 3.3Å; R860-S862 PolarHBondContact O-N 3.45Å; R860-I863 PolarHBondContact O-N 2.91Å; R860-T864 PolarHBondContact O-N 3.43Å; R860-T864 PolarHBondContact O-OG1 3.4Å
861	L	61.1	Low	54.3	Low	88 Å²	88	97 Å²	97	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-55.6	-43.1	177	-146	86.6	0	0	0	112.6	N857 K858 G865 V867	N857-L861 PolarHBondContact O-N 2.9Å; K858-L861 WeakPolarHBondContact O-CB 3.45Å; K858-L861 PolarHBondContact O-N 2.78Å; L861-G865 WeakPolarHBondContact O-CA 3.42Å; L861-G865 PolarHBondContact O-N 3.02Å; L861-G865 VanDerWaalsContact O-N 3.12Å; L861-V867 HydrophobicContact CD1-CG2 4.26Å
862	S	62.2	Low	53	Low	95 Å²	95	103.7 Å²	103.7	66%	0.664	58%	0.58	S	S	*	*	H	α-helix	trans	-73.7	-25.5	-179.1	-172.1	0	0	0	0	114.4	K858 A859 R860	K858-S862 WeakPolarHBondContact O-CB 3.22Å; K858-S862 PolarHBondContact O-N 3.25Å; A859-S862 PolarHBondContact O-N 3.35Å; R860-S862 VanDerWaalsContact C-N 3.3Å; R860-S862 PolarHBondContact O-N 3.45Å
863	I	62.4	Low	51.7	Low	140 Å²	140	106.3 Å²	106.3	72%	0.718	59%	0.592	S	S	*	*	H	α-helix	trans	-95	-35.5	-177.4	-68	167.9	0	0	0	111.3	A859 R860	A859-I863 WeakPolarHBondContact O-CB 3.49Å; A859-I863 WeakPolarHBondContact O-CD1 3.44Å; A859-I863 VanDerWaalsContact O-CG1 3.22Å; A859-I863 WeakPolarHBondContact O-CG1 3.42Å; A859-I863 PolarHBondContact O-N 3.48Å; R860-I863 PolarHBondContact O-N 2.91Å
864	T	56.7	Low	50.2	Low	89 Å²	89	109.4 Å²	109.4	55%	0.546	61%	0.611	S	S	.	*	H	α-helix	trans	-108	-3.8	-173.9	65.8	0	0	0	0	114.6	R860 S866	R860-T864 PolarHBondContact O-N 3.43Å; R860-T864 PolarHBondContact O-OG1 3.4Å; T864-S866 PolarHBondContact O-N 3.15Å
865	G	47.2	Very low	48.7	Very low	70 Å²	70	114.4 Å²	114.4	72%	0.722	64%	0.64	S	S	*	*			trans	64	-9.4	176.4	0	0	0	0	0	116.3	L861	L861-G865 WeakPolarHBondContact O-CA 3.42Å; L861-G865 PolarHBondContact O-N 3.02Å; L861-G865 VanDerWaalsContact O-N 3.12Å
866	S	38.7	Very low	47.4	Very low	69 Å²	69	117.8 Å²	117.8	48%	0.483	67%	0.665	S	S	.	*			trans	-89.3	116.8	-177	174.1	0	0	0	0	111.1	T864 G868	T864-S866 PolarHBondContact O-N 3.15Å; S866-G868 PolarHBondContact O-N 3.01Å
867	V	44.8	Very low	45.6	Very low	121 Å²	121	116.1 Å²	116.1	73%	0.733	67%	0.671	S	S	*	*			trans	-69.5	110.1	149.7	-179	0	0	0	0	105.7	L861 E869	L861-V867 HydrophobicContact CD1-CG2 4.26Å; V867-E869 PolarHBondContact O-N 3.22Å
868	G	38.1	Very low	43.8	Very low	54 Å²	54	117 Å²	117	56%	0.557	68%	0.683	S	S	*	*			trans	-60.4	135.7	-178.9	0	0	0	0	0	111.4	S866	S866-G868 PolarHBondContact O-N 3.01Å
869	E	38.6	Very low	43.1	Very low	184 Å²	184	120.1 Å²	120.1	86%	0.86	71%	0.709	S	S	*	*	S	Bend	trans	-56.6	152.7	175.3	-73.7	178.9	104.5	0	0	112	V867	V867-E869 PolarHBondContact O-N 3.22Å
870	N	35.6	Very low	41.4	Very low	151 Å²	151	128.7 Å²	128.7	81%	0.807	74%	0.74	S	S	*	*			trans	80.2	77	-175.1	-50.6	-58.6	0	0	0	115.1	R872	N870-R872 VanDerWaalsContact C-N 3.26Å; N870-R872 PolarHBondContact O-N 3.28Å
871	G	37.2	Very low	39.9	Very low	91 Å²	91	124.1 Å²	124.1	94%	0.938	74%	0.741	S	S	*	*			trans	-65.4	79	163.7	0	0	0	0	0	112.7
872	R	31.3	Very low	38.3	Very low	223 Å²	223	127.3 Å²	127.3	84%	0.842	76%	0.756	S	S	*	*			trans	-127.3	127.4	167.4	-85.9	-174.4	170.3	166.1	-1.6	111.2	N870	N870-R872 VanDerWaalsContact C-N 3.26Å; N870-R872 PolarHBondContact O-N 3.28Å
873	V	33.6	Very low	36.7	Very low	146 Å²	146	130 Å²	130	89%	0.885	76%	0.757	S	S	*	*			trans	-62	130.1	164.4	177.6	0	0	0	0	108.2
874	L	29.4	Very low	35.1	Very low	162 Å²	162	129.5 Å²	129.5	85%	0.848	76%	0.761	S	S	*	*			trans	-118.3	113.2	175.2	-96.6	157	0	0	0	109.8
875	T	28.7	Very low	33.7	Very low	117 Å²	117	129.2 Å²	129.2	72%	0.718	78%	0.775	S	S	*	*			trans	-71.1	157.2	163.3	43.8	0	0	0	0	110.4
876	P	39.4	Very low	32.7	Very low	118 Å²	118	132.4 Å²	132.4	77%	0.766	78%	0.781	S	S	*	*			trans	-81.1	141.4	-171.5	32.7	-34.6	0	0	0	112.2
877	D	26.9	Very low	32.1	Very low	161 Å²	161	133.5 Å²	133.5	86%	0.861	79%	0.794	S	S	*	*			trans	-162.7	171.1	137.1	-121.4	-37.9	0	0	0	115.3
878	C	24.8	Very low	31.5	Very low	118 Å²	118	135 Å²	135	80%	0.797	80%	0.797	S	S	*	*			trans	-60.8	170.3	-161.3	-101.8	0	0	0	0	120.5
879	P	46.7	Very low	31	Very low	113 Å²	113	143.1 Å²	143.1	73%	0.734	81%	0.81	S	S	*	*			trans	-103.8	164.9	-158.5	40.9	-38	0	0	0	116.8
880	K	27.6	Very low	30.6	Very low	211 Å²	211	142.8 Å²	142.8	92%	0.917	81%	0.809	S	S	*	*			trans	-171.1	153.3	154.4	-97.1	156.7	-173.9	177.6	0	106.6
881	A	26.4	Very low	30.3	Very low	85 Å²	85	141 Å²	141	70%	0.702	81%	0.808	S	S	*	*			cis	176.7	145.1	-21.5	0	0	0	0	0	105.4
882	M	27.8	Very low	29.9	Very low	156 Å²	156	142.6 Å²	142.6	77%	0.768	81%	0.805	S	S	*	*			trans	41.9	119.5	160.2	-65.7	178.7	75.2	0	0	121.8
883	H	29.4	Very low	29.8	Very low	152 Å²	152	135 Å²	135	70%	0.704	80%	0.796	S	S	*	*				160.5	105.5	115	-88.9	-66.6	0	0	0	110.1
884	T	28	Very low	29.6	Very low	129 Å²	129	136.8 Å²	136.8	79%	0.791	80%	0.8	S	S	*	*				55.7	108.4	93.7	63	0	0	0	0	115.7
885	G	27.3	Very low	29.6	Very low	82 Å²	82	133 Å²	133	85%	0.845	79%	0.792	S	S	*	*			trans	-157.5	131.6	166.2	0	0	0	0	0	110
886	T	26.2	Very low	29.7	Very low	137 Å²	137	134.1 Å²	134.1	84%	0.84	80%	0.798	S	S	*	*			trans	-111.4	146	-157.7	39.4	0	0	0	0	116.2
887	A	26.9	Very low	29.3	Very low	93 Å²	93	136.4 Å²	136.4	77%	0.769	80%	0.803	S	S	*	*			trans	65.5	149.7	148.2	0	0	0	0	0	117.1
888	I	31.4	Very low	29.6	Very low	153 Å²	153	132.9 Å²	132.9	79%	0.785	80%	0.796	S	S	*	*				-156.3	142.6	57.4	-82.7	170.1	0	0	0	111
889	R	28.2	Very low	29.9	Very low	223 Å²	223	132.2 Å²	132.2	84%	0.842	79%	0.792	S	S	*	*			trans	11.9	151.5	140.7	-94.8	168.7	170.9	177.4	-2.2	119
890	Q	28.9	Very low	29.3	Very low	178 Å²	178	134.1 Å²	134.1	83%	0.832	80%	0.796	S	S	*	*			cis	-165.6	158.1	49.4	-147.9	159.4	-15.7	0	0	112.9
891	S	30.3	Very low	29.4	Very low	112 Å²	112	131 Å²	131	78%	0.783	79%	0.789	S	S	*	*			trans	-118.7	143.7	177.6	58.1	0	0	0	0	111.9
892	S	29.6	Very low	30.8	Very low	126 Å²	126	135.9 Å²	135.9	88%	0.881	81%	0.813	S	S	*	*			trans	-161.9	135.7	161.3	45	0	0	0	0	111.5
893	G	28.6	Very low	31	Very low	63 Å²	63	134.9 Å²	134.9	65%	0.649	82%	0.815	S	S	*	*			trans	-114.4	-164.8	169.4	0	0	0	0	0	111.9
894	L	29.3	Very low	31	Very low	183 Å²	183	133.9 Å²	133.9	96%	0.958	82%	0.821	S	S	*	*			trans	97	147.5	-164.8	-63	153.6	0	0	0	112.1
895	A	29.3	Very low	31.2	Very low	84 Å²	84	134.2 Å²	134.2	69%	0.694	82%	0.823	S	S	*	*			cis	-165.2	158.1	-22.7	0	0	0	0	0	111.1
896	V	30.6	Very low	31.4	Very low	139 Å²	139	137.3 Å²	137.3	84%	0.842	82%	0.822	S	S	*	*			trans	-7.3	142.4	157.4	-169.7	0	0	0	0	120.1
897	I	32	Very low	31.8	Very low	167 Å²	167	137.3 Å²	137.3	86%	0.856	82%	0.82	S	S	*	*			trans	-157.6	154.9	133.6	-98.9	152.9	0	0	0	110.6
898	A	32.8	Very low	32.1	Very low	87 Å²	87	140.3 Å²	140.3	72%	0.719	82%	0.824	S	S	*	*			trans	-59.6	178.5	-176.9	0	0	0	0	0	114.7
899	S	31.6	Very low	32.1	Very low	103 Å²	103	139.4 Å²	139.4	72%	0.72	83%	0.827	S	S	*	*			cis	-166.3	173.9	26.6	43.9	0	0	0	0	109.8
900	D	32.5	Very low	32.4	Very low	153 Å²	153	132.9 Å²	132.9	82%	0.818	83%	0.826	S	S	*	*			cis	-155.9	-166.2	-6.4	-123.6	-48.4	0	0	0	110.9
901	L	29.4	Very low	32.7	Very low	146 Å²	146	129.2 Å²	129.2	76%	0.764	83%	0.825	S	S	*	*			trans	-125.8	158	172.1	-101.3	162.7	0	0	0	110.5
902	P	56.8	Low	33	Very low	187 Å²	187	130.7 Å²	130.7	100%	1.214	83%	0.829	S	S	*	*				-124.6	0	59.9	11	13.3	0	0	0	116.8

Retrieved 902 of 902 residues in 949.8 ms (Link to these results)

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