A0A096N102_PAPAN Loading...

Neuroligin 1

AlphaFold DB , UniProt , Accession A0A096N102, Species PAPAN (Papio anubis, Olive baboon), Gene NLGN1, Length 823 aa.

						>A0A096N102_PAPAN|A0A096N102|NLGN1
MALPRCMWQNYVWRAVMACVVHRGLGAPLTLCMLGCLLQAGHVLSQKLDDVDPLVTTNFGKIRGIKKELNNEILGPVIQFLGVPYAAPPTGERRFQPPEPPSPWSDIRNATQFAPVCPQNIIDGRLPEVMLPVWFTNNLDVVSSYVQDQSEDCLYLNIYVPTEDDIRDSGGPKPVMVYIHGGSYMEGTGNLYDGSVLASYGNVIVITVNYRLGVLGFLSTGDQAAKGNYGLLDLIQALRWTSENIGFFGGDPLRITVFGSGAGGSCVNLLTLSHYSEGNRWSNSTKGLFQRAIAQSGTALSSWAVSFQPAKYARMLATKVGCNVSDTVELVECLQKKPYKELVDQDIQPARYHIAFGPVIDGDVIPDDPQILMEQGEFLNYDIMLGVNQGEGLKFVENIVDSDDGISASDFDFAVSNFVDNLYGYPEGKDVLRETIKFMYTDWADRHNPETRRKTLLALFTDHQWVAPAVATADLHSNFGSPTYFYAFYHHCQTDQVPAWADAAHGDEVPYVLGIPMIGPTELFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNQPVPQDTKFIHTKPNRFEEVAWTRYSQKDQLYLHIGLKPRVKEHYRANKVNLWLELVPHLHNLNDISQYTSTTTKVPSTDITFRPTRKNSVPVTSAFPTAKQDDPKQQPSPFSVDQRDYSTELSVTIAVGASLLFLNILAFAALYYKKDKRRHDVHRRCSPQRTTTNDLTHAQEEEIMSLQMKHTDLDHECESIHPHEVVLRTACPPDYTLAMRRSPDDVPLMTPNTITMIPNTIPGIQPLHTFNTFTGGQNNTLPHPHPHPHSHSTTRV
					

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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	33.3	Very low	37.6	Very low	255 Å²	255	151.9 Å²	151.9	100%	1.256	75%	0.751	S	S	*	*				0	128.5	0	-72.9	170.5	168.2	0	0	107.7
2	A	31.8	Very low	38.6	Very low	102 Å²	102	146.3 Å²	146.3	84%	0.843	73%	0.731	S	S	*	*			trans	-124.3	136.1	179.6	0	0	0	0	0	109.9
3	L	30.7	Very low	38.9	Very low	165 Å²	165	147.5 Å²	147.5	86%	0.864	72%	0.722	S	S	*	*			trans	-97.5	136.1	174.6	-85.9	156.8	0	0	0	109.6
4	P	40.6	Very low	39.6	Very low	93 Å²	93	150.7 Å²	150.7	60%	0.604	72%	0.722	S	S	*	*			trans	-66.9	133.7	-178.4	-21.4	33.5	0	0	0	113.3	C6	P4-C6 PolarHBondContact O-N 2.82Å; P4-C6 VanDerWaalsContact O-N 3.1Å
5	R	40.4	Very low	40.2	Very low	233 Å²	233	144.5 Å²	144.5	88%	0.879	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-21.4	179	-80	-178.9	168	175.6	-4.6	114.2	M7 W8	R5-M7 PolarHBondContact O-N 3.09Å; R5-W8 PolarHBondContact O-N 2.75Å
6	C	38.3	Very low	40.9	Very low	86 Å²	86	140.6 Å²	140.6	58%	0.581	69%	0.693	S	S	*	*	H	α-helix	trans	-57.5	-22.7	-177.6	-54.2	0	0	0	0	115.1	P4 N10	P4-C6 PolarHBondContact O-N 2.82Å; P4-C6 VanDerWaalsContact O-N 3.1Å; C6-N10 PolarHBondContact O-ND2 2.81Å
7	M	36.6	Very low	41.4	Very low	128 Å²	128	138.8 Å²	138.8	63%	0.631	68%	0.684	S	S	*	*	H	α-helix	trans	-68	-40.5	179	-74.2	-92.4	-83.7	0	0	112.4	R5 Q9	R5-M7 PolarHBondContact O-N 3.09Å; M7-Q9 PolarHBondContact O-N 3.31Å
8	W	35.7	Very low	41.9	Very low	205 Å²	205	134.3 Å²	134.3	78%	0.777	67%	0.672	S	S	*	*	H	α-helix	trans	-66.1	-40	-178.4	-97.5	75.3	0	0	0	112.6	R5 N10 Y11 V12	R5-W8 PolarHBondContact O-N 2.75Å; W8-N10 VanDerWaalsContact C-N 3.29Å; W8-N10 PolarHBondContact O-N 3.13Å; W8-Y11 PolarHBondContact O-N 2.81Å; W8-Y11 VanDerWaalsContact O-N 3.09Å; W8-V12 PolarHBondContact O-N 3.31Å
9	Q	41.2	Very low	42.1	Very low	131 Å²	131	131.8 Å²	131.8	61%	0.612	67%	0.668	S	S	*	*	H	α-helix	trans	-64.3	-35.5	-176.3	-148.1	157.4	7.8	0	0	111.7	M7 Y11 V12 W13	M7-Q9 PolarHBondContact O-N 3.31Å; Q9-Y11 PolarHBondContact O-N 2.87Å; Q9-V12 PolarHBondContact O-N 2.84Å; Q9-W13 WeakPolarHBondContact O-CB 3.47Å; Q9-W13 PolarHBondContact O-N 3.41Å
10	N	42.9	Very low	42.7	Very low	101 Å²	101	128.8 Å²	128.8	54%	0.54	66%	0.656	S	S	.	*	H	α-helix	trans	-65.2	-32.2	173.8	-84.3	-57.3	0	0	0	113.9	C6 W8 R14	C6-N10 PolarHBondContact O-ND2 2.81Å; W8-N10 VanDerWaalsContact C-N 3.29Å; W8-N10 PolarHBondContact O-N 3.13Å; N10-R14 WeakPolarHBondContact O-CB 3.36Å; N10-R14 VanDerWaalsContact O-CG 3.27Å; N10-R14 WeakPolarHBondContact O-CG 3.41Å; N10-R14 PolarHBondContact O-N 2.83Å; N10-R14 VanDerWaalsContact O-N 3.17Å
11	Y	42	Very low	43.2	Very low	172 Å²	172	128.3 Å²	128.3	68%	0.675	66%	0.659	S	S	*	*	H	α-helix	trans	-73.2	-41.6	175.6	-87.1	-89.2	0	0	0	111.9	W8 Q9 R14 A15	W8-Y11 PolarHBondContact O-N 2.81Å; W8-Y11 VanDerWaalsContact O-N 3.09Å; Q9-Y11 PolarHBondContact O-N 2.87Å; Y11-R14 PolarHBondContact O-N 2.71Å; Y11-A15 PolarHBondContact O-N 2.91Å
12	V	49.8	Very low	44	Very low	84 Å²	84	124.2 Å²	124.2	51%	0.509	64%	0.637	S	S	.	*	H	α-helix	trans	-63.1	-46.9	175.5	179.1	0	0	0	0	110.9	W8 Q9 R14 A15 V16	W8-V12 PolarHBondContact O-N 3.31Å; Q9-V12 PolarHBondContact O-N 2.84Å; V12-R14 VanDerWaalsContact C-N 3.32Å; V12-R14 PolarHBondContact O-N 3.22Å; V12-A15 PolarHBondContact O-N 2.9Å; V12-V16 HydrophobicContact CG1-CG2 4.42Å; V12-V16 WeakPolarHBondContact O-CG2 3.35Å; V12-V16 PolarHBondContact O-N 2.87Å
13	W	42.9	Very low	44.7	Very low	162 Å²	162	129.4 Å²	129.4	61%	0.614	64%	0.635	S	S	*	*	H	α-helix	trans	-58.3	-40.8	176.2	-93.6	94.2	0	0	0	113.1	Q9 M17	Q9-W13 WeakPolarHBondContact O-CB 3.47Å; Q9-W13 PolarHBondContact O-N 3.41Å; W13-M17 WeakPolarHBondContact O-CB 3.27Å; W13-M17 PolarHBondContact O-N 2.84Å
14	R	48	Very low	45.6	Very low	193 Å²	193	125 Å²	125	73%	0.728	63%	0.629	S	S	*	*	H	α-helix	trans	-67.1	-39.1	176	-76.2	176.1	177.4	-147.4	-2	112.6	N10 Y11 V12 A18	N10-R14 WeakPolarHBondContact O-CB 3.36Å; N10-R14 VanDerWaalsContact O-CG 3.27Å; N10-R14 WeakPolarHBondContact O-CG 3.41Å; N10-R14 PolarHBondContact O-N 2.83Å; N10-R14 VanDerWaalsContact O-N 3.17Å; Y11-R14 PolarHBondContact O-N 2.71Å; V12-R14 VanDerWaalsContact C-N 3.32Å; V12-R14 PolarHBondContact O-N 3.22Å; R14-A18 WeakPolarHBondContact O-CB 3.44Å; R14-A18 PolarHBondContact O-N 3.08Å
15	A	48.7	Very low	46	Very low	58 Å²	58	125.4 Å²	125.4	48%	0.479	63%	0.626	S	S	.	*	H	α-helix	trans	-65.1	-44.4	176.1	0	0	0	0	0	112	Y11 V12 A18 C19	Y11-A15 PolarHBondContact O-N 2.91Å; V12-A15 PolarHBondContact O-N 2.9Å; A15-A18 PolarHBondContact O-N 3.04Å; A15-C19 PolarHBondContact O-N 2.81Å
16	V	51.9	Low	46.5	Very low	82 Å²	82	116.4 Å²	116.4	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-64.2	-47.1	177.8	174	0	0	0	0	111.2	V12 A18 C19 V20	V12-V16 HydrophobicContact CG1-CG2 4.42Å; V12-V16 WeakPolarHBondContact O-CG2 3.35Å; V12-V16 PolarHBondContact O-N 2.87Å; V16-A18 VanDerWaalsContact C-N 3.32Å; V16-A18 PolarHBondContact O-N 2.92Å; V16-C19 PolarHBondContact O-N 2.85Å; V16-V20 WeakPolarHBondContact O-CG2 3.34Å; V16-V20 PolarHBondContact O-N 2.83Å
17	M	49	Very low	47.3	Very low	109 Å²	109	115.6 Å²	115.6	54%	0.537	61%	0.605	S	S	.	*	H	α-helix	trans	-60.3	-40	175.7	-87.3	-70.4	-178.9	0	0	112.6	W13 C19 V20 V21	W13-M17 WeakPolarHBondContact O-CB 3.27Å; W13-M17 PolarHBondContact O-N 2.84Å; M17-C19 PolarHBondContact O-N 2.79Å; M17-V20 PolarHBondContact O-N 2.86Å; M17-V21 WeakPolarHBondContact O-CG2 3.49Å; M17-V21 PolarHBondContact O-N 2.94Å
18	A	50.3	Low	48.1	Very low	58 Å²	58	114.7 Å²	114.7	48%	0.479	61%	0.609	S	S	.	*	H	α-helix	trans	-60.6	-44.7	174.8	0	0	0	0	0	111.8	R14 A15 V16 V20 H22	R14-A18 WeakPolarHBondContact O-CB 3.44Å; R14-A18 PolarHBondContact O-N 3.08Å; A15-A18 PolarHBondContact O-N 3.04Å; V16-A18 VanDerWaalsContact C-N 3.32Å; V16-A18 PolarHBondContact O-N 2.92Å; A18-V20 PolarHBondContact O-N 2.84Å; A18-H22 WeakPolarHBondContact O-CB 3.49Å; A18-H22 PolarHBondContact O-N 2.82Å; A18-H22 VanDerWaalsContact O-N 3.11Å
19	C	46.6	Very low	48.8	Very low	88 Å²	88	109.8 Å²	109.8	60%	0.595	60%	0.597	S	S	*	*	H	α-helix	trans	-63.6	-37.1	176.8	-74.9	0	0	0	0	113.7	A15 V16 M17	A15-C19 PolarHBondContact O-N 2.81Å; V16-C19 PolarHBondContact O-N 2.85Å; M17-C19 PolarHBondContact O-N 2.79Å
20	V	53.3	Low	49.6	Very low	70 Å²	70	106.1 Å²	106.1	42%	0.424	58%	0.584	S	S	.	*	H	α-helix	trans	-68.3	-47.3	178.4	172.3	0	0	0	0	111.3	V16 M17 A18 H22 T30	V16-V20 WeakPolarHBondContact O-CG2 3.34Å; V16-V20 PolarHBondContact O-N 2.83Å; M17-V20 PolarHBondContact O-N 2.86Å; A18-V20 PolarHBondContact O-N 2.84Å; V20-H22 VanDerWaalsContact C-N 3.33Å; V20-H22 PolarHBondContact O-N 2.87Å; V20-T30 HydrophobicContact CG1-CG2 4.3Å
21	V	53.1	Low	50.3	Low	119 Å²	119	107.5 Å²	107.5	72%	0.721	59%	0.591	S	S	*	*	H	α-helix	trans	-66.2	-35.3	-179.1	174.8	0	0	0	0	111.7	M17 R23	M17-V21 WeakPolarHBondContact O-CG2 3.49Å; M17-V21 PolarHBondContact O-N 2.94Å; V21-R23 VanDerWaalsContact C-N 3.34Å; V21-R23 PolarHBondContact O-N 3.22Å
22	H	49.6	Very low	51	Low	170 Å²	170	103.1 Å²	103.1	79%	0.787	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-5.9	-172.4	-140.6	-42.3	0	0	0	115.3	A18 V20	A18-H22 WeakPolarHBondContact O-CB 3.49Å; A18-H22 PolarHBondContact O-N 2.82Å; A18-H22 VanDerWaalsContact O-N 3.11Å; V20-H22 VanDerWaalsContact C-N 3.33Å; V20-H22 PolarHBondContact O-N 2.87Å
23	R	46.4	Very low	51.4	Low	211 Å²	211	104.6 Å²	104.6	80%	0.796	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	11.1	-173.5	-78.1	-165.2	171.3	-155.9	-0.8	116.5	V21 L25	V21-R23 VanDerWaalsContact C-N 3.34Å; V21-R23 PolarHBondContact O-N 3.22Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 HydrophobicContact CB-CD1 4.17Å; R23-L25 PolarHBondContact O-N 3.25Å; R23-L25 VanDerWaalsContact O-N 3.11Å
24	G	51.3	Low	52	Low	73 Å²	73	101.9 Å²	101.9	75%	0.753	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.9	27.7	160.1	0	0	0	0	0	116.7
25	L	48	Very low	52.3	Low	100 Å²	100	94.1 Å²	94.1	52%	0.524	56%	0.564	S	S	.	*			trans	-69.7	132.5	174.4	-72.3	108.5	0	0	0	110.7	R23 L29	R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 HydrophobicContact CB-CD1 4.17Å; R23-L25 PolarHBondContact O-N 3.25Å; R23-L25 VanDerWaalsContact O-N 3.11Å; L25-L29 HydrophobicContact CD2-CD1 4.38Å; L25-L29 HydrophobicContact CD2-CD2 4.44Å
26	G	51.6	Low	52.5	Low	44 Å²	44	94.6 Å²	94.6	45%	0.454	56%	0.563	S	S	.	*			trans	-65.2	152.7	-173.9	0	0	0	0	0	114.1	P28 L29 T30	G26-P28 VanDerWaalsContact C-N 3.31Å; G26-P28 WeakPolarHBondContact O-CD 3.39Å; G26-P28 VanDerWaalsContact O-N 3.09Å; G26-L29 WeakPolarHBondContact O-CB 3.37Å; G26-L29 PolarHBondContact O-N 2.92Å; G26-T30 PolarHBondContact O-N 2.65Å
27	A	53.7	Low	52.3	Low	69 Å²	69	96 Å²	96	57%	0.57	57%	0.567	S	S	*	*	H	α-helix	trans	-47.4	-35.7	-176.8	0	0	0	0	0	116.6	L29 T30 L31	A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 2.93Å; A27-T30 WeakPolarHBondContact CA-OG1 3.09Å; A27-T30 PolarHBondContact O-OG1 3.43Å; A27-L31 PolarHBondContact O-N 3.01Å
28	P	54.4	Low	52.1	Low	110 Å²	110	96.2 Å²	96.2	71%	0.714	57%	0.57	S	S	*	*	H	α-helix	trans	-64.2	-35.4	176.8	-22.9	34.7	0	0	0	113.2	G26 C32	G26-P28 VanDerWaalsContact C-N 3.31Å; G26-P28 WeakPolarHBondContact O-CD 3.39Å; G26-P28 VanDerWaalsContact O-N 3.09Å; P28-C32 VanDerWaalsContact O-CB 3.29Å; P28-C32 WeakPolarHBondContact O-CB 3.42Å; P28-C32 PolarHBondContact O-N 3.03Å
29	L	50.5	Low	51.7	Low	101 Å²	101	100.3 Å²	100.3	53%	0.529	58%	0.579	S	S	.	*	H	α-helix	trans	-75.8	-37.9	-177.7	-115.8	148.9	0	0	0	111.2	L25 G26 A27 C32 M33	L25-L29 HydrophobicContact CD2-CD1 4.38Å; L25-L29 HydrophobicContact CD2-CD2 4.44Å; G26-L29 WeakPolarHBondContact O-CB 3.37Å; G26-L29 PolarHBondContact O-N 2.92Å; A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 2.93Å; L29-C32 PolarHBondContact O-N 2.82Å; L29-M33 WeakPolarHBondContact O-CB 3.45Å; L29-M33 VanDerWaalsContact O-CG 3.22Å; L29-M33 WeakPolarHBondContact O-CG 3.39Å; L29-M33 PolarHBondContact O-N 3.23Å
30	T	58	Low	51.3	Low	55 Å²	55	99.1 Å²	99.1	34%	0.337	58%	0.575	S	S	.	*	H	α-helix	trans	-69.7	-36.7	172.1	40	0	0	0	0	112.4	V20 G26 A27 L34	V20-T30 HydrophobicContact CG1-CG2 4.3Å; G26-T30 PolarHBondContact O-N 2.65Å; A27-T30 WeakPolarHBondContact CA-OG1 3.09Å; A27-T30 PolarHBondContact O-OG1 3.43Å; T30-L34 WeakPolarHBondContact O-CB 3.42Å; T30-L34 PolarHBondContact O-N 3.23Å
31	L	58.1	Low	50.4	Low	130 Å²	130	98 Å²	98	68%	0.681	58%	0.578	S	S	*	*	H	α-helix	trans	-64	-43.9	170.9	-114.3	76.1	0	0	0	112.4	A27 L34 G35	A27-L31 PolarHBondContact O-N 3.01Å; L31-L34 PolarHBondContact O-N 3.34Å; L31-G35 PolarHBondContact O-N 3.46Å
32	C	56.1	Low	49.6	Very low	80 Å²	80	99.6 Å²	99.6	54%	0.541	58%	0.577	S	S	.	*	H	α-helix	trans	-62.6	-46.4	178.6	-167.6	0	0	0	0	111.2	P28 L29 L34 G35 C36	P28-C32 VanDerWaalsContact O-CB 3.29Å; P28-C32 WeakPolarHBondContact O-CB 3.42Å; P28-C32 PolarHBondContact O-N 3.03Å; L29-C32 PolarHBondContact O-N 2.82Å; C32-L34 VanDerWaalsContact C-N 3.32Å; C32-L34 PolarHBondContact O-N 3.35Å; C32-G35 PolarHBondContact O-N 2.86Å; C32-G35 VanDerWaalsContact O-N 3.15Å; C32-C36 PolarHBondContact O-N 3.09Å; C32-C36 PolarHBondContact O-SG 2.99Å; C32-C36 VanDerWaalsContact O-SG 3.35Å
33	M	56.9	Low	49	Very low	115 Å²	115	97.5 Å²	97.5	57%	0.567	58%	0.577	S	S	*	*	H	α-helix	trans	-61.6	-36.9	173.8	-70.3	-68.6	-71.5	0	0	112.4	L29 L37	L29-M33 WeakPolarHBondContact O-CB 3.45Å; L29-M33 VanDerWaalsContact O-CG 3.22Å; L29-M33 WeakPolarHBondContact O-CG 3.39Å; L29-M33 PolarHBondContact O-N 3.23Å; M33-L37 VanDerWaalsContact O-CB 3.31Å; M33-L37 WeakPolarHBondContact O-CB 3.39Å; M33-L37 WeakPolarHBondContact O-CD1 3.18Å; M33-L37 WeakPolarHBondContact O-CG 3.02Å; M33-L37 PolarHBondContact O-N 3.02Å
34	L	56	Low	48.6	Very low	105 Å²	105	93.9 Å²	93.9	55%	0.55	57%	0.572	S	S	.	*	H	α-helix	trans	-67.1	-39.6	174	-133.8	74.5	0	0	0	111.9	T30 L31 C32 L37 L38	T30-L34 WeakPolarHBondContact O-CB 3.42Å; T30-L34 PolarHBondContact O-N 3.23Å; L31-L34 PolarHBondContact O-N 3.34Å; C32-L34 VanDerWaalsContact C-N 3.32Å; C32-L34 PolarHBondContact O-N 3.35Å; L34-L37 PolarHBondContact O-N 3Å; L34-L38 WeakPolarHBondContact O-CB 3.16Å; L34-L38 WeakPolarHBondContact O-CD1 3.38Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 2.89Å
35	G	55.6	Low	48.2	Very low	30 Å²	30	94.5 Å²	94.5	31%	0.309	57%	0.565	S	S	.	*	H	α-helix	trans	-61.5	-48.4	174	0	0	0	0	0	112.1	L31 C32 L37 L38 Q39	L31-G35 PolarHBondContact O-N 3.46Å; C32-G35 PolarHBondContact O-N 2.86Å; C32-G35 VanDerWaalsContact O-N 3.15Å; G35-L37 VanDerWaalsContact C-N 3.33Å; G35-L37 PolarHBondContact O-N 3.05Å; G35-L38 PolarHBondContact O-N 2.69Å; G35-Q39 WeakPolarHBondContact O-CG 3.39Å; G35-Q39 PolarHBondContact O-N 3.44Å
36	C	52	Low	48.2	Very low	67 Å²	67	97.3 Å²	97.3	45%	0.453	58%	0.575	S	S	.	*	H	α-helix	trans	-62.4	-37.4	174.6	-64.2	0	0	0	0	112.5	C32 A40	C32-C36 PolarHBondContact O-N 3.09Å; C32-C36 PolarHBondContact O-SG 2.99Å; C32-C36 VanDerWaalsContact O-SG 3.35Å; C36-A40 WeakPolarHBondContact O-CB 3.48Å; C36-A40 PolarHBondContact O-N 3Å
37	L	48	Very low	48.6	Very low	112 Å²	112	102.1 Å²	102.1	59%	0.586	58%	0.584	S	S	*	*	H	α-helix	trans	-71	-32.3	175.3	-75.5	167.3	0	0	0	112.9	M33 L34 G35 G41	M33-L37 VanDerWaalsContact O-CB 3.31Å; M33-L37 WeakPolarHBondContact O-CB 3.39Å; M33-L37 WeakPolarHBondContact O-CD1 3.18Å; M33-L37 WeakPolarHBondContact O-CG 3.02Å; M33-L37 PolarHBondContact O-N 3.02Å; L34-L37 PolarHBondContact O-N 3Å; G35-L37 VanDerWaalsContact C-N 3.33Å; G35-L37 PolarHBondContact O-N 3.05Å; L37-G41 PolarHBondContact O-N 2.89Å
38	L	44.9	Very low	49.4	Very low	114 Å²	114	100.7 Å²	100.7	60%	0.597	57%	0.566	S	S	*	*	H	α-helix	trans	-72	-40.5	173.4	-75.3	163.8	0	0	0	111.4	L34 G35 G41 H42	L34-L38 WeakPolarHBondContact O-CB 3.16Å; L34-L38 WeakPolarHBondContact O-CD1 3.38Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 2.89Å; G35-L38 PolarHBondContact O-N 2.69Å; L38-G41 PolarHBondContact O-N 3.17Å; L38-H42 PolarHBondContact O-CD2 2.97Å; L38-H42 VanDerWaalsContact O-CD2 3.26Å; L38-H42 PolarHBondContact O-N 3.1Å
39	Q	42	Very low	50.1	Low	144 Å²	144	100 Å²	100	67%	0.673	56%	0.556	S	S	*	*	H	α-helix	trans	-66.4	-43.8	172.9	-71.9	-179.7	-61.5	0	0	111.8	G35 G41 H42	G35-Q39 WeakPolarHBondContact O-CG 3.39Å; G35-Q39 PolarHBondContact O-N 3.44Å; Q39-G41 VanDerWaalsContact C-N 3.28Å; Q39-G41 PolarHBondContact O-N 2.75Å; Q39-H42 PolarHBondContact O-N 3.25Å; Q39-H42 VanDerWaalsContact O-N 3.15Å
40	A	38.4	Very low	50.9	Low	62 Å²	62	98.2 Å²	98.2	51%	0.512	55%	0.548	S	S	.	.	H	α-helix	trans	-63	-34.4	173.5	0	0	0	0	0	112.4	C36 H42 V43	C36-A40 WeakPolarHBondContact O-CB 3.48Å; C36-A40 PolarHBondContact O-N 3Å; A40-H42 PolarHBondContact O-N 3.24Å; A40-V43 PolarHBondContact O-N 3.05Å; A40-V43 VanDerWaalsContact O-N 3.11Å
41	G	34.1	Very low	51.6	Low	48 Å²	48	102 Å²	102	50%	0.495	57%	0.57	S	S	.	*	H	α-helix	trans	-64.7	-19	174.8	0	0	0	0	0	114.7	L37 L38 Q39	L37-G41 PolarHBondContact O-N 2.89Å; L38-G41 PolarHBondContact O-N 3.17Å; Q39-G41 VanDerWaalsContact C-N 3.28Å; Q39-G41 PolarHBondContact O-N 2.75Å
42	H	36.2	Very low	53	Low	151 Å²	151	98 Å²	98	70%	0.699	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.5	173.5	-81.1	-68.1	0	0	0	114.2	L38 Q39 A40 L44	L38-H42 PolarHBondContact O-CD2 2.97Å; L38-H42 VanDerWaalsContact O-CD2 3.26Å; L38-H42 PolarHBondContact O-N 3.1Å; Q39-H42 PolarHBondContact O-N 3.25Å; Q39-H42 VanDerWaalsContact O-N 3.15Å; A40-H42 PolarHBondContact O-N 3.24Å; H42-L44 VanDerWaalsContact C-N 3.32Å
43	V	36.5	Very low	54.7	Low	127 Å²	127	94.5 Å²	94.5	77%	0.77	53%	0.526	S	S	*	.			trans	-101.8	38.3	171.8	-159.3	0	0	0	0	110.5	A40	A40-V43 PolarHBondContact O-N 3.05Å; A40-V43 VanDerWaalsContact O-N 3.11Å
44	L	38	Very low	56.6	Low	135 Å²	135	92.3 Å²	92.3	71%	0.707	52%	0.516	S	S	*	.	S	Bend	trans	-79.3	135.1	157	-132.9	76.8	0	0	0	107.6	H42 Q46	H42-L44 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.37Å
45	S	44	Very low	58.5	Low	85 Å²	85	87.7 Å²	87.7	59%	0.594	49%	0.492	S	S	*	.			trans	-59.3	104.1	172.9	-172.8	0	0	0	0	109.3	K47	S45-K47 PolarHBondContact O-N 2.68Å
46	Q	47.8	Very low	60.5	Low	160 Å²	160	90.1 Å²	90.1	75%	0.748	50%	0.501	S	S	*	.			trans	-76.1	104.7	172.4	-70.7	-168.5	-9.2	0	0	106.9	L44 L48	L44-Q46 PolarHBondContact O-N 3.37Å; Q46-L48 PolarHBondContact O-N 3.34Å; Q46-L48 VanDerWaalsContact O-N 3.08Å
47	K	59.9	Low	62.6	Low	145 Å²	145	87.2 Å²	87.2	63%	0.63	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-53.4	120.4	167.2	177.1	160.6	-176.5	148	0	107.6	S45 T162	S45-K47 PolarHBondContact O-N 2.68Å; K47-T162 PolarHBondContact NZ-O 3.22Å
48	L	69.9	Low	65	Low	38 Å²	38	86.1 Å²	86.1	20%	0.199	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-55.7	143.9	-179.9	-70.3	113.9	0	0	0	110.1	Q46 D50 P53 V55 I78 F80 V160	Q46-L48 PolarHBondContact O-N 3.34Å; Q46-L48 VanDerWaalsContact O-N 3.08Å; L48-D50 PolarHBondContact O-N 3.26Å; L48-P53 HydrophobicContact CD2-CB 4.08Å; L48-V55 HydrophobicContact CD2-CG2 3.65Å; L48-I78 HydrophobicContact CB-CG1 4.46Å; L48-F80 HydrophobicContact CD2-CE2 4.1Å; L48-F80 HydrophobicContact CD2-CZ 3.68Å; L48-V160 HydrophobicContact CD1-CG1 4.19Å
49	D	68.9	Low	67.5	Low	95 Å²	95	82.2 Å²	82.2	51%	0.508	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-71	117.5	172.3	-169.2	-40.1	0	0	0	108.7	V51 D52 P53	D49-V51 PolarHBondContact O-N 3.36Å; D49-V51 VanDerWaalsContact O-N 3.13Å; D49-V51 WeakPolarHBondContact OD1-CA 3.42Å; D49-V51 WeakPolarHBondContact OD1-CB 3.48Å; D49-V51 PolarHBondContact OD1-N 3.2Å; D49-D52 CarbonylContact O-C 3.43Å; D49-D52 PolarHBondContact O-N 3.15Å; D49-D52 PolarHBondContact OD1-N 2.89Å; D49-P53 WeakPolarHBondContact O-CA 3.28Å; D49-P53 WeakPolarHBondContact O-CD 3.11Å; D49-P53 VanDerWaalsContact O-N 3.14Å
50	D	67.1	Low	70.1	Confident	65 Å²	65	76 Å²	76	35%	0.348	43%	0.429	S	S	.	.	S	Bend	trans	-58.2	-20.3	178.2	-93.5	48.7	0	0	0	113.4	L48 K66	L48-D50 PolarHBondContact O-N 3.26Å; D50-K66 HydrophobicContact CB-CD 4.37Å; D50-K66 WeakPolarHBondContact OD2-CE 3.31Å; D50-K66 IonicContact OD2-NZ 3.09Å; D50-K66 PolarHBondContact OD2-NZ 3.1Å
51	V	74	Confident	72.9	Confident	133 Å²	133	77.6 Å²	77.6	81%	0.806	42%	0.424	S	S	*	.	S	Bend	trans	-100.8	-36	-177	-172.8	0	0	0	0	112	D49	D49-V51 PolarHBondContact O-N 3.36Å; D49-V51 VanDerWaalsContact O-N 3.13Å; D49-V51 WeakPolarHBondContact OD1-CA 3.42Å; D49-V51 WeakPolarHBondContact OD1-CB 3.48Å; D49-V51 PolarHBondContact OD1-N 3.2Å
52	D	86.4	Confident	76	Confident	47 Å²	47	75.3 Å²	75.3	25%	0.251	40%	0.401	S	S	.	.	S	Bend	trans	-138	77.5	176	-163.6	-9.8	0	0	0	111.9	D49 L54 R63	D49-D52 CarbonylContact O-C 3.43Å; D49-D52 PolarHBondContact O-N 3.15Å; D49-D52 PolarHBondContact OD1-N 2.89Å; D52-L54 PolarHBondContact O-N 3.27Å; D52-L54 WeakPolarHBondContact OD1-CG 3.33Å; D52-R63 VanDerWaalsContact CG-CZ 3.45Å; D52-R63 VanDerWaalsContact CG-NH2 3.34Å; D52-R63 IonicContact OD1-CZ 3.17Å; D52-R63 IonicContact OD1-NE 2.95Å; D52-R63 IonicContact OD1-NH1 2.82Å; D52-R63 PolarHBondContact OD1-NH1 2.82Å; D52-R63 IonicContact OD1-NH2 2.75Å; D52-R63 PolarHBondContact OD1-NH2 2.85Å; D52-R63 VanDerWaalsContact OD1-NH2 3.09Å; D52-R63 IonicContact OD2-CZ 2.72Å; D52-R63 IonicContact OD2-NH1 3.92Å; D52-R63 PolarHBondContact OD2-NH1 3.35Å; D52-R63 IonicContact OD2-NH2 2.76Å; D52-R63 PolarHBondContact OD2-NH2 2.67Å
53	P	92.3	Very high	78.9	Confident	7 Å²	7	71.7 Å²	71.7	5%	0.045	38%	0.381	C	S	.	.			trans	-71.9	88.4	-174.2	27.4	-34.6	0	0	0	111.6	L48 D49 G64 I78 F80	L48-P53 HydrophobicContact CD2-CB 4.08Å; D49-P53 WeakPolarHBondContact O-CA 3.28Å; D49-P53 WeakPolarHBondContact O-CD 3.11Å; D49-P53 VanDerWaalsContact O-N 3.14Å; P53-G64 PolarHBondContact O-N 3.23Å; P53-I78 HydrophobicContact CB-CD1 4.23Å; P53-I78 HydrophobicContact CB-CG1 4.37Å; P53-I78 HydrophobicContact CB-CG2 3.6Å; P53-I78 HydrophobicContact CG-CD1 4.46Å; P53-I78 HydrophobicContact CG-CG2 3.92Å; P53-F80 HydrophobicContact CB-CZ 4.49Å
54	L	95.7	Very high	81.8	Confident	69 Å²	69	65.9 Å²	65.9	36%	0.361	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.2	178.9	-66.8	170	0	0	0	111.6	D52 I62 R63 I107	D52-L54 PolarHBondContact O-N 3.27Å; D52-L54 WeakPolarHBondContact OD1-CG 3.33Å; L54-I62 WeakPolarHBondContact CA-O 3.4Å; L54-R63 HydrophobicContact CD2-CB 3.75Å; L54-R63 HydrophobicContact CD2-CG 4.26Å; L54-I107 HydrophobicContact CD1-CD1 4.24Å; L54-I107 HydrophobicContact CD2-CD1 4Å; L54-I107 HydrophobicContact CD2-CG1 4.42Å; L54-I107 HydrophobicContact CD2-CG2 3.61Å
55	V	96.1	Very high	84.6	Confident	7 Å²	7	63 Å²	63	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.2	171.9	175.5	0	0	0	0	109.4	L48 T57 K61 I62 F80 F247 F248	L48-V55 HydrophobicContact CD2-CG2 3.65Å; V55-T57 HydrophobicContact CG1-CG2 4.42Å; V55-K61 CarbonylContact O-C 3.58Å; V55-K61 WeakPolarHBondContact O-CA 3.26Å; V55-I62 PolarHBondContact N-O 2.88Å; V55-I62 PolarHBondContact O-N 3.06Å; V55-F80 HydrophobicContact CB-CE1 4.26Å; V55-F80 HydrophobicContact CB-CZ 4.32Å; V55-F80 HydrophobicContact CG2-CE1 3.93Å; V55-F80 HydrophobicContact CG2-CE2 4.27Å; V55-F80 HydrophobicContact CG2-CZ 3.51Å; V55-F247 HydrophobicContact CG1-CB 3.66Å; V55-F247 WeakPolarHBondContact CG1-O 3.48Å; V55-F248 HydrophobicContact CB-CD1 4.25Å; V55-F248 HydrophobicContact CB-CE1 3.87Å; V55-F248 HydrophobicContact CB-CZ 4.15Å; V55-F248 HydrophobicContact CG1-CD1 4.05Å; V55-F248 HydrophobicContact CG1-CD2 4.08Å; V55-F248 HydrophobicContact CG1-CE1 3.79Å; V55-F248 HydrophobicContact CG1-CE2 3.84Å; V55-F248 HydrophobicContact CG1-CG 4.18Å; V55-F248 HydrophobicContact CG1-CZ 3.68Å; V55-F248 HydrophobicContact CG2-CD1 3.83Å; V55-F248 HydrophobicContact CG2-CE1 3.89Å; V55-F248 HydrophobicContact CG2-CG 4.48Å
56	T	97.4	Very high	87.1	Confident	81 Å²	81	62 Å²	62	50%	0.497	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.2	171.6	-53.9	0	0	0	0	108.5	K61 F247	T56-K61 HydrophobicContact CG2-CG 4.2Å; T56-F247 WeakPolarHBondContact O-CB 3.36Å; T56-F247 WeakPolarHBondContact O-CG 3.34Å
57	T	97.8	Very high	89.4	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	172.4	174.9	70.3	0	0	0	0	110.5	V55 F59 G60 I62 W240 N244 F248	V55-T57 HydrophobicContact CG1-CG2 4.42Å; T57-F59 PolarHBondContact O-N 3.23Å; T57-F59 VanDerWaalsContact O-N 3.1Å; T57-F59 PolarHBondContact OG1-N 2.8Å; T57-G60 PolarHBondContact N-O 2.88Å; T57-G60 PolarHBondContact O-N 2.88Å; T57-G60 PolarHBondContact OG1-N 2.55Å; T57-G60 PolarHBondContact OG1-O 2.88Å; T57-I62 HydrophobicContact CG2-CD1 3.64Å; T57-I62 HydrophobicContact CG2-CG1 4.11Å; T57-W240 HydrophobicContact CG2-CZ2 4.21Å; T57-N244 WeakPolarHBondContact CB-OD1 3.36Å; T57-F248 HydrophobicContact CG2-CE2 3.97Å; T57-F248 HydrophobicContact CG2-CZ 3.94Å
58	N	96.7	Very high	91.1	Very high	88 Å²	88	57.8 Å²	57.8	47%	0.471	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.9	172.2	-65.8	-38	0	0	0	113	E243 N244 F247	N58-E243 PolarHBondContact ND2-O 3.06Å; N58-N244 WeakPolarHBondContact CB-OD1 3.49Å; N58-N244 PolarHBondContact N-OD1 2.95Å; N58-N244 PolarHBondContact ND2-OD1 3.04Å; N58-F247 WeakPolarHBondContact OD1-CE2 3.26Å; N58-F247 WeakPolarHBondContact OD1-CZ 3.31Å
59	F	97.7	Very high	92.2	Very high	32 Å²	32	57.4 Å²	57.4	14%	0.14	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-10.1	-177.6	-59.2	-78.3	0	0	0	113.9	T57 P101 P103 W104 W240	T57-F59 PolarHBondContact O-N 3.23Å; T57-F59 VanDerWaalsContact O-N 3.1Å; T57-F59 PolarHBondContact OG1-N 2.8Å; F59-P101 HydrophobicContact CD1-CG 3.81Å; F59-P101 WeakPolarHBondContact CD1-O 3.43Å; F59-P101 HydrophobicContact CD2-CG 4Å; F59-P101 HydrophobicContact CE1-CG 3.72Å; F59-P101 VanDerWaalsContact CE1-O 3.27Å; F59-P101 WeakPolarHBondContact CE1-O 3.39Å; F59-P101 HydrophobicContact CE2-CG 3.91Å; F59-P101 HydrophobicContact CG-CG 3.95Å; F59-P101 HydrophobicContact CZ-CG 3.78Å; F59-P103 CarbonylContact O-C 3.53Å; F59-P103 WeakPolarHBondContact O-CA 3.41Å; F59-P103 WeakPolarHBondContact O-CB 3.46Å; F59-W104 HydrophobicContact CB-CE3 4.46Å; F59-W104 HydrophobicContact CB-CH2 3.89Å; F59-W104 HydrophobicContact CB-CZ2 4.43Å; F59-W104 HydrophobicContact CB-CZ3 3.91Å; F59-W104 PolarHBondContact O-N 2.84Å; F59-W240 AromaticContact CD2-NE1 3.62Å; F59-W240 AromaticContact CE2-CD1 3.55Å; F59-W240 AromaticContact CE2-NE1 3.63Å
60	G	97.2	Very high	93.4	Very high	13 Å²	13	59 Å²	59	13%	0.134	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.3	-175.4	-176.8	0	0	0	0	0	113.3	T57 W104	T57-G60 PolarHBondContact N-O 2.88Å; T57-G60 PolarHBondContact O-N 2.88Å; T57-G60 PolarHBondContact OG1-N 2.55Å; T57-G60 PolarHBondContact OG1-O 2.88Å; G60-W104 WeakPolarHBondContact CA-O 3.26Å
61	K	98.1	Very high	94.5	Very high	96 Å²	96	57.6 Å²	57.6	42%	0.417	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	143	-176.6	-68.2	179.5	179.3	177.9	0	112.1	V55 T56 W104 I107 R108	V55-K61 CarbonylContact O-C 3.58Å; V55-K61 WeakPolarHBondContact O-CA 3.26Å; T56-K61 HydrophobicContact CG2-CG 4.2Å; K61-W104 PolarHBondContact O-NE1 3Å; K61-I107 HydrophobicContact CB-CG1 4Å; K61-I107 HydrophobicContact CD-CG1 4.24Å; K61-R108 PolarHBondContact O-N 3.49Å
62	I	98.1	Very high	95.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.9	179.2	-50.7	-175.2	0	0	0	109.8	L54 V55 T57 F80 V83 W104 R108 A110	L54-I62 WeakPolarHBondContact CA-O 3.4Å; V55-I62 PolarHBondContact N-O 2.88Å; V55-I62 PolarHBondContact O-N 3.06Å; T57-I62 HydrophobicContact CG2-CD1 3.64Å; T57-I62 HydrophobicContact CG2-CG1 4.11Å; I62-F80 HydrophobicContact CB-CD1 4.48Å; I62-F80 HydrophobicContact CG2-CD1 3.88Å; I62-V83 HydrophobicContact CD1-CG1 3.74Å; I62-V83 HydrophobicContact CD1-CG2 4.24Å; I62-V83 HydrophobicContact CG2-CG2 4.49Å; I62-W104 HydrophobicContact CD1-CH2 4.5Å; I62-W104 HydrophobicContact CD1-CZ2 3.95Å; I62-W104 HydrophobicContact CG1-CZ2 3.8Å; I62-R108 CarbonylContact C-O 3.47Å; I62-R108 VanDerWaalsContact CA-O 3.27Å; I62-R108 WeakPolarHBondContact CA-O 3.33Å; I62-A110 HydrophobicContact CG2-CB 3.29Å
63	R	97.9	Very high	95.5	Very high	75 Å²	75	63.6 Å²	63.6	28%	0.283	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.3	171.2	179.4	-175.4	-62.4	-95.3	-22.8	110.2	D52 L54 I107 R108 N109 A110	D52-R63 VanDerWaalsContact CG-CZ 3.45Å; D52-R63 VanDerWaalsContact CG-NH2 3.34Å; D52-R63 IonicContact OD1-CZ 3.17Å; D52-R63 IonicContact OD1-NE 2.95Å; D52-R63 IonicContact OD1-NH1 2.82Å; D52-R63 PolarHBondContact OD1-NH1 2.82Å; D52-R63 IonicContact OD1-NH2 2.75Å; D52-R63 PolarHBondContact OD1-NH2 2.85Å; D52-R63 VanDerWaalsContact OD1-NH2 3.09Å; D52-R63 IonicContact OD2-CZ 2.72Å; D52-R63 IonicContact OD2-NH1 3.92Å; D52-R63 PolarHBondContact OD2-NH1 3.35Å; D52-R63 IonicContact OD2-NH2 2.76Å; D52-R63 PolarHBondContact OD2-NH2 2.67Å; L54-R63 HydrophobicContact CD2-CB 3.75Å; L54-R63 HydrophobicContact CD2-CG 4.26Å; R63-I107 HydrophobicContact CB-CG2 3.78Å; R63-R108 PolarHBondContact N-O 2.7Å; R63-N109 WeakPolarHBondContact CD-OD1 3.12Å; R63-A110 CarbonylContact O-C 3.53Å; R63-A110 WeakPolarHBondContact O-CA 3.14Å; R63-A110 PolarHBondContact O-N 2.84Å
64	G	97.6	Very high	95.5	Very high	5 Å²	5	64 Å²	64	5%	0.052	32%	0.318	C	S	.	.			trans	-89.1	-166.3	171.5	0	0	0	0	0	112.5	P53 Q79 F80	P53-G64 PolarHBondContact O-N 3.23Å; G64-Q79 CarbonylContact C-O 3.48Å; G64-Q79 WeakPolarHBondContact CA-O 3.06Å; G64-F80 VanDerWaalsContact CA-CD1 3.44Å
65	I	96.6	Very high	95.4	Very high	74 Å²	74	61 Å²	61	38%	0.379	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.4	174.2	-174.3	167.5	0	0	0	110.5	Q79 T111	I65-Q79 HydrophobicContact CG2-CB 4.05Å; I65-Q79 PolarHBondContact N-O 2.93Å; I65-Q79 PolarHBondContact O-N 3.25Å; I65-T111 HydrophobicContact CB-CG2 4.16Å
66	K	95.9	Very high	95.3	Very high	64 Å²	64	61.5 Å²	61.5	28%	0.278	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.9	172.6	-172.8	177.4	-178.2	-166.9	0	110.3	D50 E68 P76 I78	D50-K66 HydrophobicContact CB-CD 4.37Å; D50-K66 WeakPolarHBondContact OD2-CE 3.31Å; D50-K66 IonicContact OD2-NZ 3.09Å; D50-K66 PolarHBondContact OD2-NZ 3.1Å; K66-E68 WeakPolarHBondContact CE-OE1 3.25Å; K66-E68 IonicContact NZ-OE1 2.81Å; K66-E68 PolarHBondContact NZ-OE1 3.38Å; K66-P76 VanDerWaalsContact CE-CB 3.42Å; K66-P76 HydrophobicContact CG-CB 4.32Å; K66-I78 HydrophobicContact CB-CD1 3.8Å; K66-I78 HydrophobicContact CG-CD1 3.91Å
67	K	95.6	Very high	95.3	Very high	101 Å²	101	57.7 Å²	57.7	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117	-179.3	-174.5	77.2	177.7	-166.4	0	110.2	P76 V77 Q79	K67-P76 WeakPolarHBondContact O-CA 3.4Å; K67-P76 WeakPolarHBondContact O-CB 3.39Å; K67-V77 HydrophobicContact CB-CG2 4.02Å; K67-V77 PolarHBondContact N-O 3.39Å; K67-V77 PolarHBondContact O-N 3.06Å; K67-Q79 HydrophobicContact CB-CG 4.06Å
68	E	95.1	Very high	95.3	Very high	116 Å²	116	57.4 Å²	57.4	54%	0.542	28%	0.282	S	S	.	.			trans	-77.5	146.4	166.5	-53.5	-60.3	150.8	0	0	109.8	K66 P76	K66-E68 WeakPolarHBondContact CE-OE1 3.25Å; K66-E68 IonicContact NZ-OE1 2.81Å; K66-E68 PolarHBondContact NZ-OE1 3.38Å; E68-P76 WeakPolarHBondContact OE2-CB 3.49Å; E68-P76 WeakPolarHBondContact OE2-CG 3.25Å
69	L	95	Very high	95.4	Very high	29 Å²	29	54 Å²	54	15%	0.152	26%	0.263	C	S	.	.			trans	-101	157.7	-179.7	-61.6	98.6	0	0	0	111.8	N71 L74 G75 V77 V196	L69-N71 PolarHBondContact O-N 3.32Å; L69-L74 HydrophobicContact CB-CB 4.42Å; L69-L74 HydrophobicContact CD1-CB 4.4Å; L69-L74 HydrophobicContact CD2-CD1 4.25Å; L69-G75 VanDerWaalsContact CD1-O 3.25Å; L69-G75 WeakPolarHBondContact CD1-O 3.4Å; L69-V77 HydrophobicContact CD1-CG1 4.5Å; L69-V196 HydrophobicContact CD2-CB 4.26Å; L69-V196 HydrophobicContact CD2-CG2 3.6Å
70	N	92.6	Very high	95.4	Very high	128 Å²	128	52.4 Å²	52.4	68%	0.684	26%	0.256	S	S	*	.	S	Bend	trans	-78.4	48.5	176.3	-167.8	42.2	0	0	0	112.5	I518	N70-I518 HydrophobicContact CB-CB 4.16Å; N70-I518 HydrophobicContact CB-CG2 4.2Å; N70-I518 PolarHBondContact ND2-O 3Å
71	N	91.6	Very high	95.5	Very high	36 Å²	36	52.4 Å²	52.4	19%	0.193	25%	0.253	C	S	.	.			trans	-156.7	122	179.9	-169.7	-64.2	0	0	0	110.9	L69 I73 L74 M517	L69-N71 PolarHBondContact O-N 3.32Å; N71-I73 PolarHBondContact O-N 3.43Å; N71-I73 WeakPolarHBondContact OD1-CB 3.4Å; N71-I73 PolarHBondContact OD1-N 3.02Å; N71-L74 HydrophobicContact CB-CB 4.21Å; N71-L74 HydrophobicContact CB-CD1 3.86Å; N71-L74 HydrophobicContact CB-CG 3.97Å; N71-L74 PolarHBondContact O-N 2.91Å; N71-M517 PolarHBondContact ND2-O 3.01Å
72	E	88.9	Confident	95.5	Very high	207 Å²	207	48 Å²	48	97%	0.967	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.2	-176	-60.2	-179.1	170.6	0	0	115
73	I	90.8	Very high	95.6	Very high	99 Å²	99	48 Å²	48	51%	0.508	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-16.2	-177	-55.3	170.5	0	0	0	111.6	N71 F562 I563	N71-I73 PolarHBondContact O-N 3.43Å; N71-I73 WeakPolarHBondContact OD1-CB 3.4Å; N71-I73 PolarHBondContact OD1-N 3.02Å; I73-F562 HydrophobicContact CD1-CB 4.07Å; I73-I563 HydrophobicContact CB-CD1 4.02Å; I73-I563 HydrophobicContact CD1-CB 4.49Å; I73-I563 HydrophobicContact CD1-CD1 4.43Å; I73-I563 HydrophobicContact CG2-CB 4.25Å; I73-I563 HydrophobicContact CG2-CD1 4.11Å
74	L	93.9	Very high	95.6	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.084	22%	0.224	C	C	.	.	S	Bend	trans	-96.2	115.8	-176.9	-64.8	179.9	0	0	0	111.1	L69 N71 V196 Y200 M517 I563	L69-L74 HydrophobicContact CB-CB 4.42Å; L69-L74 HydrophobicContact CD1-CB 4.4Å; L69-L74 HydrophobicContact CD2-CD1 4.25Å; N71-L74 HydrophobicContact CB-CB 4.21Å; N71-L74 HydrophobicContact CB-CD1 3.86Å; N71-L74 HydrophobicContact CB-CG 3.97Å; N71-L74 PolarHBondContact O-N 2.91Å; L74-V196 HydrophobicContact CD1-CB 4.49Å; L74-V196 HydrophobicContact CD1-CG1 3.78Å; L74-V196 HydrophobicContact CD1-CG2 4.34Å; L74-Y200 HydrophobicContact CD2-CD2 4.31Å; L74-M517 HydrophobicContact CD1-CB 4.31Å; L74-M517 HydrophobicContact CD1-SD 4.35Å; L74-I563 HydrophobicContact CD2-CD1 4.02Å; L74-I563 HydrophobicContact CG-CD1 4.19Å
75	G	92.6	Very high	95.7	Very high	7 Å²	7	44.6 Å²	44.6	7%	0.072	22%	0.222	C	C	.	.			trans	-63.8	149.7	174.5	0	0	0	0	0	112.7	L69 S199	L69-G75 VanDerWaalsContact CD1-O 3.25Å; L69-G75 WeakPolarHBondContact CD1-O 3.4Å; G75-S199 PolarHBondContact N-OG 2.89Å; G75-S199 WeakPolarHBondContact O-CB 3.4Å; G75-S199 PolarHBondContact O-OG 2.94Å
76	P	94.7	Very high	95.8	Very high	17 Å²	17	41.3 Å²	41.3	11%	0.11	21%	0.205	C	C	.	.			trans	-61.6	161.7	-175.8	17.1	-26.6	0	0	0	114.8	K66 K67 E68 T162	K66-P76 VanDerWaalsContact CE-CB 3.42Å; K66-P76 HydrophobicContact CG-CB 4.32Å; K67-P76 WeakPolarHBondContact O-CA 3.4Å; K67-P76 WeakPolarHBondContact O-CB 3.39Å; E68-P76 WeakPolarHBondContact OE2-CB 3.49Å; E68-P76 WeakPolarHBondContact OE2-CG 3.25Å; P76-T162 WeakPolarHBondContact CG-OG1 3.34Å; P76-T162 WeakPolarHBondContact O-CB 3.27Å; P76-T162 WeakPolarHBondContact O-CG2 3.46Å; P76-T162 PolarHBondContact O-N 3.39Å; P76-T162 PolarHBondContact O-OG1 2.95Å
77	V	96.6	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	155.9	172.2	-60.5	0	0	0	0	111.5	K67 L69 Q79 V160 S195 A198	K67-V77 HydrophobicContact CB-CG2 4.02Å; K67-V77 PolarHBondContact N-O 3.39Å; K67-V77 PolarHBondContact O-N 3.06Å; L69-V77 HydrophobicContact CD1-CG1 4.5Å; V77-Q79 HydrophobicContact CG2-CG 4.02Å; V77-V160 CarbonylContact C-O 3.59Å; V77-V160 VanDerWaalsContact CA-O 3.24Å; V77-V160 WeakPolarHBondContact CA-O 3.24Å; V77-V160 WeakPolarHBondContact CB-O 3.06Å; V77-S195 WeakPolarHBondContact CG1-O 3.42Å; V77-A198 HydrophobicContact CG1-CB 4.25Å
78	I	97.8	Very high	96	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.1	160.2	-50.2	-54.1	0	0	0	108.1	L48 P53 K66 F80 V160 T162	L48-I78 HydrophobicContact CB-CG1 4.46Å; P53-I78 HydrophobicContact CB-CD1 4.23Å; P53-I78 HydrophobicContact CB-CG1 4.37Å; P53-I78 HydrophobicContact CB-CG2 3.6Å; P53-I78 HydrophobicContact CG-CD1 4.46Å; P53-I78 HydrophobicContact CG-CG2 3.92Å; K66-I78 HydrophobicContact CB-CD1 3.8Å; K66-I78 HydrophobicContact CG-CD1 3.91Å; I78-F80 HydrophobicContact CB-CE2 4.14Å; I78-F80 HydrophobicContact CG2-CD2 4.04Å; I78-F80 HydrophobicContact CG2-CE2 3.36Å; I78-F80 HydrophobicContact CG2-CZ 3.69Å; I78-V160 HydrophobicContact CB-CB 4.47Å; I78-V160 PolarHBondContact N-O 2.95Å; I78-V160 PolarHBondContact O-N 2.92Å; I78-T162 HydrophobicContact CD1-CG2 3.7Å; I78-T162 HydrophobicContact CG1-CG2 3.8Å
79	Q	98.6	Very high	96.2	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.3	174.8	-61.6	-176.8	-28.8	0	0	109.9	G64 I65 K67 V77 L81 I158 Y159 S195	G64-Q79 CarbonylContact C-O 3.48Å; G64-Q79 WeakPolarHBondContact CA-O 3.06Å; I65-Q79 HydrophobicContact CG2-CB 4.05Å; I65-Q79 PolarHBondContact N-O 2.93Å; I65-Q79 PolarHBondContact O-N 3.25Å; K67-Q79 HydrophobicContact CB-CG 4.06Å; V77-Q79 HydrophobicContact CG2-CG 4.02Å; Q79-L81 HydrophobicContact CB-CD2 3.98Å; Q79-L81 HydrophobicContact CB-CG 4.11Å; Q79-I158 CarbonylContact C-O 3.33Å; Q79-I158 WeakPolarHBondContact CA-O 3.2Å; Q79-Y159 HydrophobicContact CG-CD1 3.93Å; Q79-Y159 HydrophobicContact CG-CE1 4.24Å; Q79-S195 PolarHBondContact NE2-OG 3.06Å
80	F	98.8	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	96.3	166.6	-61.2	-95.7	0	0	0	107.7	L48 P53 V55 I62 G64 I78 V83 A110 N157 I158 V160 F248	L48-F80 HydrophobicContact CD2-CE2 4.1Å; L48-F80 HydrophobicContact CD2-CZ 3.68Å; P53-F80 HydrophobicContact CB-CZ 4.49Å; V55-F80 HydrophobicContact CB-CE1 4.26Å; V55-F80 HydrophobicContact CB-CZ 4.32Å; V55-F80 HydrophobicContact CG2-CE1 3.93Å; V55-F80 HydrophobicContact CG2-CE2 4.27Å; V55-F80 HydrophobicContact CG2-CZ 3.51Å; I62-F80 HydrophobicContact CB-CD1 4.48Å; I62-F80 HydrophobicContact CG2-CD1 3.88Å; G64-F80 VanDerWaalsContact CA-CD1 3.44Å; I78-F80 HydrophobicContact CB-CE2 4.14Å; I78-F80 HydrophobicContact CG2-CD2 4.04Å; I78-F80 HydrophobicContact CG2-CE2 3.36Å; I78-F80 HydrophobicContact CG2-CZ 3.69Å; F80-V83 HydrophobicContact CB-CG2 3.89Å; F80-A110 CarbonylContact C-O 3.58Å; F80-A110 WeakPolarHBondContact CA-O 3.39Å; F80-A110 HydrophobicContact CB-CB 4.24Å; F80-N157 CarbonylContact O-C 3.35Å; F80-N157 VanDerWaalsContact O-CA 3.27Å; F80-N157 WeakPolarHBondContact O-CA 3.34Å; F80-I158 HydrophobicContact CB-CB 4.23Å; F80-I158 PolarHBondContact N-O 2.84Å; F80-I158 PolarHBondContact O-N 2.85Å; F80-V160 HydrophobicContact CD2-CG2 4.41Å; F80-V160 HydrophobicContact CE2-CG2 4.31Å; F80-F248 HydrophobicContact CB-CE1 4.4Å; F80-F248 AromaticContact CD1-CE1 3.94Å; F80-F248 HydrophobicContact CD1-CE1 3.94Å; F80-F248 AromaticContact CD2-CD1 3.81Å; F80-F248 HydrophobicContact CD2-CD1 3.81Å; F80-F248 AromaticContact CD2-CE1 3.7Å; F80-F248 HydrophobicContact CD2-CE1 3.7Å; F80-F248 HydrophobicContact CE1-CE1 4.08Å; F80-F248 AromaticContact CE2-CD1 3.72Å; F80-F248 HydrophobicContact CE2-CD1 3.72Å; F80-F248 AromaticContact CE2-CE1 3.85Å; F80-F248 HydrophobicContact CE2-CE1 3.85Å; F80-F248 HydrophobicContact CG-CD1 4.35Å; F80-F248 AromaticContact CG-CE1 3.76Å; F80-F248 HydrophobicContact CG-CE1 3.76Å; F80-F248 HydrophobicContact CZ-CD1 4.18Å; F80-F248 HydrophobicContact CZ-CE1 4.05Å
81	L	98.8	Very high	96.6	Very high	12 Å²	12	28 Å²	28	6%	0.063	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.9	-173.7	-50.1	-177.7	0	0	0	110.3	Q79 A110 Q112 F113 N157 Y159	Q79-L81 HydrophobicContact CB-CD2 3.98Å; Q79-L81 HydrophobicContact CB-CG 4.11Å; L81-A110 PolarHBondContact N-O 2.91Å; L81-A110 CarbonylContact O-C 3.57Å; L81-A110 WeakPolarHBondContact O-CA 3.48Å; L81-A110 WeakPolarHBondContact O-CB 3.45Å; L81-Q112 CarbonylContact C-O 3.53Å; L81-Q112 VanDerWaalsContact C-O 3.25Å; L81-Q112 VanDerWaalsContact CB-C 3.42Å; L81-Q112 VanDerWaalsContact CB-O 3.28Å; L81-Q112 WeakPolarHBondContact CB-O 3.47Å; L81-Q112 VanDerWaalsContact O-O 3.1Å; L81-F113 HydrophobicContact CB-CD1 4.18Å; L81-F113 HydrophobicContact CD1-CD1 4.31Å; L81-F113 HydrophobicContact CD1-CE1 4.17Å; L81-F113 HydrophobicContact CD1-CZ 4.31Å; L81-F113 HydrophobicContact CD2-CD1 4.35Å; L81-F113 HydrophobicContact CD2-CE1 3.86Å; L81-F113 HydrophobicContact CD2-CZ 4.45Å; L81-F113 HydrophobicContact CG-CE1 4.4Å; L81-N157 WeakPolarHBondContact CA-OD1 3.12Å; L81-N157 HydrophobicContact CD2-CB 3.81Å; L81-Y159 HydrophobicContact CD2-CE1 4.35Å
82	G	98.6	Very high	96.9	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.4	38.2	178.4	0	0	0	0	0	114.4	P84 Y155 N157	G82-P84 WeakPolarHBondContact O-CD 3.2Å; G82-Y155 VanDerWaalsContact O-CD1 3.31Å; G82-Y155 WeakPolarHBondContact O-CD1 3.46Å; G82-N157 PolarHBondContact N-OD1 2.94Å
83	V	98.9	Very high	97.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.1	176.6	177.2	0	0	0	0	110.1	I62 F80 Y85 A110 Y155 L156 W240	I62-V83 HydrophobicContact CD1-CG1 3.74Å; I62-V83 HydrophobicContact CD1-CG2 4.24Å; I62-V83 HydrophobicContact CG2-CG2 4.49Å; F80-V83 HydrophobicContact CB-CG2 3.89Å; V83-Y85 PolarHBondContact O-N 2.61Å; V83-A110 HydrophobicContact CG2-CB 3.93Å; V83-Y155 WeakPolarHBondContact O-CA 3.5Å; V83-L156 HydrophobicContact CB-CD1 3.99Å; V83-L156 WeakPolarHBondContact CB-O 3.44Å; V83-L156 HydrophobicContact CG1-CD1 4.23Å; V83-L156 PolarHBondContact N-O 3.41Å; V83-L156 PolarHBondContact O-N 3.06Å; V83-W240 HydrophobicContact CG1-CH2 3.78Å; V83-W240 HydrophobicContact CG1-CZ2 3.54Å
84	P	98.8	Very high	97.7	Very high	8 Å²	8	25.8 Å²	25.8	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.5	178.9	26.1	-31.4	0	0	0	110.5	G82 P101 W104 Y155	G82-P84 WeakPolarHBondContact O-CD 3.2Å; P84-P101 HydrophobicContact CB-CB 4.46Å; P84-W104 HydrophobicContact CG-CH2 3.78Å; P84-W104 HydrophobicContact CG-CZ3 3.79Å; P84-Y155 HydrophobicContact CB-CD1 3.98Å; P84-Y155 HydrophobicContact CB-CE1 3.62Å; P84-Y155 HydrophobicContact CG-CE1 4.2Å
85	Y	98.8	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-107.2	-10.1	177.7	73.7	-99.8	0	0	0	113.3	V83 P101 L154 L156 V208 N209 D233 Q236 A237	V83-Y85 PolarHBondContact O-N 2.61Å; Y85-P101 WeakPolarHBondContact O-CD 3.48Å; Y85-L154 VanDerWaalsContact CD1-O 3.26Å; Y85-L154 WeakPolarHBondContact CD1-O 3.38Å; Y85-L154 HydrophobicContact CE1-CB 4.13Å; Y85-L154 WeakPolarHBondContact CE1-O 3.34Å; Y85-L154 HydrophobicContact CE2-CB 4.45Å; Y85-L154 PolarHBondContact N-O 3Å; Y85-L156 HydrophobicContact CD1-CB 4.06Å; Y85-L156 HydrophobicContact CD1-CD2 3.91Å; Y85-L156 HydrophobicContact CD1-CG 3.99Å; Y85-L156 HydrophobicContact CG-CD2 3.96Å; Y85-L156 HydrophobicContact CG-CG 4.42Å; Y85-V208 HydrophobicContact CE1-CG1 3.79Å; Y85-N209 WeakPolarHBondContact CE1-O 3.29Å; Y85-N209 PolarHBondContact OH-O 3.33Å; Y85-D233 WeakPolarHBondContact CE2-O 3.45Å; Y85-D233 PolarHBondContact OH-O 2.98Å; Y85-Q236 HydrophobicContact CD2-CB 4.48Å; Y85-Q236 HydrophobicContact CD2-CG 4.08Å; Y85-Q236 HydrophobicContact CE2-CB 4.32Å; Y85-Q236 HydrophobicContact CE2-CG 4.27Å; Y85-Q236 PolarHBondContact O-NE2 2.99Å; Y85-A237 HydrophobicContact CD1-CB 4.23Å; Y85-A237 VanDerWaalsContact CD2-CA 3.45Å; Y85-A237 HydrophobicContact CD2-CB 3.7Å; Y85-A237 HydrophobicContact CE1-CB 4.19Å; Y85-A237 HydrophobicContact CE2-CB 3.69Å; Y85-A237 HydrophobicContact CG-CB 3.99Å
86	A	98.8	Very high	98.2	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.033	15%	0.154	C	C	.	.	S	Bend	trans	-143.2	168.4	174.5	0	0	0	0	0	109.7	P98 E99 L154 Q236	A86-P98 HydrophobicContact CB-CB 4.02Å; A86-E99 CarbonylContact C-O 3.55Å; A86-E99 VanDerWaalsContact CA-O 3.26Å; A86-E99 WeakPolarHBondContact CA-O 3.44Å; A86-E99 WeakPolarHBondContact CB-O 3.45Å; A86-L154 HydrophobicContact CB-CB 3.95Å; A86-L154 HydrophobicContact CB-CD1 3.66Å; A86-L154 HydrophobicContact CB-CG 4.46Å; A86-Q236 HydrophobicContact CB-CG 3.98Å
87	A	98.7	Very high	98.4	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	17%	0.17	C	C	.	.			trans	-80.7	154.9	169.9	0	0	0	0	0	111.4	E99 P100	A87-E99 HydrophobicContact CB-CB 4.32Å; A87-E99 PolarHBondContact N-O 3.1Å; A87-P100 WeakPolarHBondContact CB-O 3.27Å
88	P	98.8	Very high	98.5	Very high	50 Å²	50	32.1 Å²	32.1	33%	0.325	18%	0.175	S	C	.	.			trans	-56	128.3	-177.3	-26.3	34.2	0	0	0	112.9	T90 R93 D152	P88-T90 HydrophobicContact CB-CG2 4.11Å; P88-T90 PolarHBondContact O-N 3.02Å; P88-R93 WeakPolarHBondContact O-CD 3.38Å; P88-D152 HydrophobicContact CB-CB 3.98Å; P88-D152 HydrophobicContact CG-CB 4.29Å
89	P	98.4	Very high	98.6	Very high	3 Å²	3	37 Å²	37	2%	0.019	20%	0.198	C	C	.	.			trans	-82.1	36.2	-178.4	35.4	-37.6	0	0	0	112.6	R93 R94 E151 L154 R211	P89-R93 CarbonylContact O-C 3.44Å; P89-R93 VanDerWaalsContact O-C 3.32Å; P89-R94 WeakPolarHBondContact O-CA 3.4Å; P89-R94 PolarHBondContact O-N 3.39Å; P89-R94 VanDerWaalsContact O-N 3.11Å; P89-E151 VanDerWaalsContact CD-O 3.29Å; P89-E151 WeakPolarHBondContact CD-O 3.47Å; P89-E151 VanDerWaalsContact CG-O 3.28Å; P89-E151 WeakPolarHBondContact CG-O 3.27Å; P89-L154 HydrophobicContact CB-CD1 4.2Å; P89-L154 HydrophobicContact CG-CD1 3.88Å; P89-L154 HydrophobicContact CG-CG 3.99Å; P89-R211 HydrophobicContact CG-CG 4.16Å
90	T	98.6	Very high	98.5	Very high	64 Å²	64	39.4 Å²	39.4	39%	0.393	22%	0.215	S	C	.	.			trans	-89.2	151	-172.8	53.6	0	0	0	0	112.9	P88 E92 R93 E151	P88-T90 HydrophobicContact CB-CG2 4.11Å; P88-T90 PolarHBondContact O-N 3.02Å; T90-E92 PolarHBondContact O-N 3.19Å; T90-R93 PolarHBondContact O-N 3.16Å; T90-E151 HydrophobicContact CG2-CB 4.05Å; T90-E151 HydrophobicContact CG2-CG 3.85Å
91	G	97.3	Very high	98.4	Very high	37 Å²	37	39.7 Å²	39.7	38%	0.381	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	66.3	-125	173.4	0	0	0	0	0	112.1	R93 R94	G91-R93 PolarHBondContact O-N 3.05Å; G91-R93 VanDerWaalsContact O-N 3.1Å; G91-R94 WeakPolarHBondContact O-CB 3.38Å; G91-R94 PolarHBondContact O-N 3.12Å
92	E	97.7	Very high	98.3	Very high	174 Å²	174	43.7 Å²	43.7	81%	0.813	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-60.3	-18.3	177	-62.8	177	165.1	0	0	113.2	T90 Q96 Q335	T90-E92 PolarHBondContact O-N 3.19Å; E92-Q96 WeakPolarHBondContact O-CG 3.17Å; E92-Q335 PolarHBondContact O-NE2 2.83Å
93	R	98.5	Very high	98.3	Very high	111 Å²	111	48.2 Å²	48.2	42%	0.419	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-86.2	-6.8	175.2	-60.4	-178.4	178	-151.6	-8.1	113.8	P88 P89 T90 G91 Q96	P88-R93 WeakPolarHBondContact O-CD 3.38Å; P89-R93 CarbonylContact O-C 3.44Å; P89-R93 VanDerWaalsContact O-C 3.32Å; T90-R93 PolarHBondContact O-N 3.16Å; G91-R93 PolarHBondContact O-N 3.05Å; G91-R93 VanDerWaalsContact O-N 3.1Å; R93-Q96 PolarHBondContact O-N 3.25Å
94	R	98.8	Very high	98.2	Very high	11 Å²	11	50.7 Å²	50.7	4%	0.042	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	135.9	169.6	-174.3	-170.2	-64.7	157.4	5.5	108.4	P89 G91 Q96 E151 L215 L334 Q335 K337	P89-R94 WeakPolarHBondContact O-CA 3.4Å; P89-R94 PolarHBondContact O-N 3.39Å; P89-R94 VanDerWaalsContact O-N 3.11Å; G91-R94 WeakPolarHBondContact O-CB 3.38Å; G91-R94 PolarHBondContact O-N 3.12Å; R94-Q96 PolarHBondContact O-N 3.27Å; R94-E151 IonicContact CZ-OE1 2.77Å; R94-E151 IonicContact CZ-OE2 3.78Å; R94-E151 IonicContact NE-OE1 3.76Å; R94-E151 PolarHBondContact NE-OE1 3.34Å; R94-E151 IonicContact NE-OE2 3.87Å; R94-E151 IonicContact NH2-OE1 3.55Å; R94-E151 PolarHBondContact NH2-OE1 3.49Å; R94-E151 IonicContact NH2-OE2 2.73Å; R94-E151 PolarHBondContact NH2-OE2 3.2Å; R94-L215 HydrophobicContact CG-CD2 4.08Å; R94-L334 PolarHBondContact NH1-O 2.9Å; R94-Q335 HydrophobicContact CB-CG 4.38Å; R94-Q335 PolarHBondContact NH1-O 3.18Å; R94-Q335 VanDerWaalsContact NH1-O 3.12Å; R94-Q335 PolarHBondContact O-NE2 2.77Å; R94-K337 PolarHBondContact NH1-O 2.76Å; R94-K337 PolarHBondContact NH2-O 3.09Å
95	F	98.7	Very high	98	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	31.3	-172.6	-38.7	-58.2	0	0	0	113.6	V214 L215 L218 Y229 V331 L334 Q335 L342	F95-V214 HydrophobicContact CE1-CG1 4.18Å; F95-V214 WeakPolarHBondContact CE1-O 3.38Å; F95-V214 HydrophobicContact CZ-CG1 4.35Å; F95-L215 HydrophobicContact CE1-CD2 4.45Å; F95-L218 HydrophobicContact CD1-CB 4.08Å; F95-L218 HydrophobicContact CD1-CD2 4.24Å; F95-L218 HydrophobicContact CE1-CB 3.87Å; F95-L218 HydrophobicContact CE1-CD1 4.42Å; F95-L218 HydrophobicContact CE1-CD2 4.3Å; F95-L218 HydrophobicContact CE1-CG 4.41Å; F95-L218 HydrophobicContact CG-CD2 4.46Å; F95-L218 HydrophobicContact CZ-CD1 4.44Å; F95-Y229 HydrophobicContact CB-CE2 3.82Å; F95-Y229 HydrophobicContact CD1-CE2 4.24Å; F95-Y229 WeakPolarHBondContact O-CE1 3.42Å; F95-Y229 PolarHBondContact O-OH 3.25Å; F95-V331 HydrophobicContact CB-CG1 4.47Å; F95-V331 HydrophobicContact CD2-CG1 4.02Å; F95-L334 HydrophobicContact CE2-CB 3.72Å; F95-L334 HydrophobicContact CZ-CB 4.21Å; F95-Q335 HydrophobicContact CD2-CG 3.84Å; F95-Q335 HydrophobicContact CE2-CG 4.22Å; F95-L342 HydrophobicContact CZ-CD1 4.18Å
96	Q	98.7	Very high	97.9	Very high	86 Å²	86	61.2 Å²	61.2	40%	0.402	35%	0.349	S	S	.	.	S	Bend	trans	-125	158.7	169.6	-64	-60.6	-23.5	0	0	111.5	E92 R93 R94 R211 Y229	E92-Q96 WeakPolarHBondContact O-CG 3.17Å; R93-Q96 PolarHBondContact O-N 3.25Å; R94-Q96 PolarHBondContact O-N 3.27Å; Q96-R211 PolarHBondContact O-NH1 2.94Å; Q96-R211 PolarHBondContact O-NH2 3.28Å; Q96-Y229 WeakPolarHBondContact O-CD1 3.48Å
97	P	98.8	Very high	97.9	Very high	68 Å²	68	64.5 Å²	64.5	44%	0.442	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-51.9	150.4	168.9	-26.1	35.6	0	0	0	112.5	L232	P97-L232 HydrophobicContact CB-CD1 4.11Å; P97-L232 HydrophobicContact CG-CD1 4.09Å
98	P	98.6	Very high	97.8	Very high	19 Å²	19	68.6 Å²	68.6	12%	0.123	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-70.8	136.4	175.3	31	-34.4	0	0	0	111.2	A86 L154 L232 D233 Q236	A86-P98 HydrophobicContact CB-CB 4.02Å; P98-L154 HydrophobicContact CB-CD1 4.14Å; P98-L232 HydrophobicContact CG-CB 4.24Å; P98-L232 WeakPolarHBondContact CG-O 3.27Å; P98-D233 WeakPolarHBondContact CB-OD1 3.29Å; P98-D233 WeakPolarHBondContact CG-OD1 3.43Å; P98-Q236 HydrophobicContact CB-CB 4.27Å; P98-Q236 HydrophobicContact CB-CG 4.21Å; P98-Q236 HydrophobicContact CG-CB 3.67Å; P98-Q236 HydrophobicContact CG-CG 4.12Å
99	E	98.1	Very high	97.8	Very high	102 Å²	102	70.9 Å²	70.9	48%	0.477	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-91.6	152.4	171.3	-75.4	-68.5	162.3	0	0	110.6	A86 A87	A86-E99 CarbonylContact C-O 3.55Å; A86-E99 VanDerWaalsContact CA-O 3.26Å; A86-E99 WeakPolarHBondContact CA-O 3.44Å; A86-E99 WeakPolarHBondContact CB-O 3.45Å; A87-E99 HydrophobicContact CB-CB 4.32Å; A87-E99 PolarHBondContact N-O 3.1Å
100	P	97.1	Very high	97.8	Very high	67 Å²	67	70.8 Å²	70.8	44%	0.435	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-56.2	151.6	172	-25.3	35.7	0	0	0	113	A87	A87-P100 WeakPolarHBondContact CB-O 3.27Å
101	P	97.3	Very high	97.8	Very high	7 Å²	7	70.1 Å²	70.1	5%	0.045	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-70.9	145.5	-179	28.8	-29.9	0	0	0	110.8	F59 P84 Y85	F59-P101 HydrophobicContact CD1-CG 3.81Å; F59-P101 WeakPolarHBondContact CD1-O 3.43Å; F59-P101 HydrophobicContact CD2-CG 4Å; F59-P101 HydrophobicContact CE1-CG 3.72Å; F59-P101 VanDerWaalsContact CE1-O 3.27Å; F59-P101 WeakPolarHBondContact CE1-O 3.39Å; F59-P101 HydrophobicContact CE2-CG 3.91Å; F59-P101 HydrophobicContact CG-CG 3.95Å; F59-P101 HydrophobicContact CZ-CG 3.78Å; P84-P101 HydrophobicContact CB-CB 4.46Å; Y85-P101 WeakPolarHBondContact O-CD 3.48Å
102	S	96.6	Very high	97.8	Very high	96 Å²	96	75.2 Å²	75.2	67%	0.671	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-68.3	135.6	173.7	-61.6	0	0	0	0	110.7	W104	S102-W104 VanDerWaalsContact O-CE3 3.29Å
103	P	97.4	Very high	97.9	Very high	100 Å²	100	70.3 Å²	70.3	65%	0.649	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-72.3	156.2	177.5	30.6	-35.8	0	0	0	112.6	F59	F59-P103 CarbonylContact O-C 3.53Å; F59-P103 WeakPolarHBondContact O-CA 3.41Å; F59-P103 WeakPolarHBondContact O-CB 3.46Å
104	W	97.3	Very high	97.9	Very high	53 Å²	53	65.8 Å²	65.8	20%	0.201	36%	0.36	C	S	.	.			trans	-129.9	144	179	55.7	87.1	0	0	0	111.9	F59 G60 K61 I62 P84 S102 R108	F59-W104 HydrophobicContact CB-CE3 4.46Å; F59-W104 HydrophobicContact CB-CH2 3.89Å; F59-W104 HydrophobicContact CB-CZ2 4.43Å; F59-W104 HydrophobicContact CB-CZ3 3.91Å; F59-W104 PolarHBondContact O-N 2.84Å; G60-W104 WeakPolarHBondContact CA-O 3.26Å; K61-W104 PolarHBondContact O-NE1 3Å; I62-W104 HydrophobicContact CD1-CH2 4.5Å; I62-W104 HydrophobicContact CD1-CZ2 3.95Å; I62-W104 HydrophobicContact CG1-CZ2 3.8Å; P84-W104 HydrophobicContact CG-CH2 3.78Å; P84-W104 HydrophobicContact CG-CZ3 3.79Å; S102-W104 VanDerWaalsContact O-CE3 3.29Å; W104-R108 HydrophobicContact CZ2-CB 4.37Å
105	S	95.7	Very high	97.9	Very high	111 Å²	111	66.9 Å²	66.9	78%	0.776	37%	0.369	S	S	*	.	S	Bend	trans	-76.7	-31.1	-178.4	50.8	0	0	0	0	114
106	D	96.3	Very high	97.9	Very high	118 Å²	118	67 Å²	67	63%	0.631	37%	0.369	S	S	*	.	S	Bend	trans	-97	-166.1	-163.7	-57.4	-9.7	0	0	0	110.9
107	I	97.7	Very high	97.9	Very high	72 Å²	72	63 Å²	63	37%	0.369	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.9	172.6	-60.1	172.3	0	0	0	108.4	L54 K61 R63	L54-I107 HydrophobicContact CD1-CD1 4.24Å; L54-I107 HydrophobicContact CD2-CD1 4Å; L54-I107 HydrophobicContact CD2-CG1 4.42Å; L54-I107 HydrophobicContact CD2-CG2 3.61Å; K61-I107 HydrophobicContact CB-CG1 4Å; K61-I107 HydrophobicContact CD-CG1 4.24Å; R63-I107 HydrophobicContact CB-CG2 3.78Å
108	R	98	Very high	97.9	Very high	91 Å²	91	60 Å²	60	34%	0.343	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.8	169.3	-176.7	174.9	177.5	117.3	0.9	109.3	K61 I62 R63 W104 Y155	K61-R108 PolarHBondContact O-N 3.49Å; I62-R108 CarbonylContact C-O 3.47Å; I62-R108 VanDerWaalsContact CA-O 3.27Å; I62-R108 WeakPolarHBondContact CA-O 3.33Å; R63-R108 PolarHBondContact N-O 2.7Å; W104-R108 HydrophobicContact CZ2-CB 4.37Å; R108-Y155 VanDerWaalsContact NH2-CE1 3.34Å
109	N	98.1	Very high	97.8	Very high	99 Å²	99	59.2 Å²	59.2	53%	0.529	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.8	170.8	-67.5	-17	0	0	0	110	R63 T111	R63-N109 WeakPolarHBondContact CD-OD1 3.12Å; N109-T111 HydrophobicContact CB-CG2 4.49Å
110	A	98.4	Very high	97.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.008	31%	0.31	C	S	.	.			trans	-126.2	54.2	174.2	0	0	0	0	0	109	I62 R63 F80 L81 V83	I62-A110 HydrophobicContact CG2-CB 3.29Å; R63-A110 CarbonylContact O-C 3.53Å; R63-A110 WeakPolarHBondContact O-CA 3.14Å; R63-A110 PolarHBondContact O-N 2.84Å; F80-A110 CarbonylContact C-O 3.58Å; F80-A110 WeakPolarHBondContact CA-O 3.39Å; F80-A110 HydrophobicContact CB-CB 4.24Å; L81-A110 PolarHBondContact N-O 2.91Å; L81-A110 CarbonylContact O-C 3.57Å; L81-A110 WeakPolarHBondContact O-CA 3.48Å; L81-A110 WeakPolarHBondContact O-CB 3.45Å; V83-A110 HydrophobicContact CG2-CB 3.93Å
111	T	97.9	Very high	97.2	Very high	50 Å²	50	52.8 Å²	52.8	31%	0.307	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-109.6	3.5	-170.7	57.9	0	0	0	0	113.2	I65 N109	I65-T111 HydrophobicContact CB-CG2 4.16Å; N109-T111 HydrophobicContact CB-CG2 4.49Å
112	Q	98.3	Very high	96.1	Very high	144 Å²	144	58.5 Å²	58.5	67%	0.673	32%	0.32	S	S	*	.	S	Bend	trans	-152.6	156	-178.8	58.3	176	85.3	0	0	108.9	L81	L81-Q112 CarbonylContact C-O 3.53Å; L81-Q112 VanDerWaalsContact C-O 3.25Å; L81-Q112 VanDerWaalsContact CB-C 3.42Å; L81-Q112 VanDerWaalsContact CB-O 3.28Å; L81-Q112 WeakPolarHBondContact CB-O 3.47Å; L81-Q112 VanDerWaalsContact O-O 3.1Å
113	F	98.8	Very high	95.1	Very high	71 Å²	71	57.9 Å²	57.9	31%	0.311	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-61.5	151.6	172.3	-63.3	-60.8	0	0	0	111.6	L81 N157 N190	L81-F113 HydrophobicContact CB-CD1 4.18Å; L81-F113 HydrophobicContact CD1-CD1 4.31Å; L81-F113 HydrophobicContact CD1-CE1 4.17Å; L81-F113 HydrophobicContact CD1-CZ 4.31Å; L81-F113 HydrophobicContact CD2-CD1 4.35Å; L81-F113 HydrophobicContact CD2-CE1 3.86Å; L81-F113 HydrophobicContact CD2-CZ 4.45Å; L81-F113 HydrophobicContact CG-CE1 4.4Å; F113-N157 WeakPolarHBondContact CD1-OD1 3.28Å; F113-N157 HydrophobicContact CE1-CB 4.44Å; F113-N157 WeakPolarHBondContact CE1-ND2 3.08Å; F113-N190 HydrophobicContact CD1-CB 3.81Å; F113-N190 VanDerWaalsContact CD1-CG 3.46Å; F113-N190 WeakPolarHBondContact CD1-OD1 3.36Å; F113-N190 HydrophobicContact CD2-CB 4.2Å; F113-N190 HydrophobicContact CE1-CB 3.91Å; F113-N190 HydrophobicContact CE2-CB 4.29Å; F113-N190 HydrophobicContact CG-CB 3.96Å; F113-N190 HydrophobicContact CZ-CB 4.16Å
114	A	98.7	Very high	93.6	Very high	15 Å²	15	56.7 Å²	56.7	12%	0.124	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-89	163	165.9	0	0	0	0	0	110.1	Y155 N190	A114-Y155 HydrophobicContact CB-CD1 3.85Å; A114-Y155 HydrophobicContact CB-CD2 3.38Å; A114-Y155 HydrophobicContact CB-CE1 4.29Å; A114-Y155 HydrophobicContact CB-CE2 3.9Å; A114-Y155 HydrophobicContact CB-CG 3.39Å; A114-N190 PolarHBondContact O-ND2 2.04Å
115	P	98.8	Very high	92.5	Very high	35 Å²	35	58 Å²	58	23%	0.227	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-54.6	145.4	176.2	-24.6	33.9	0	0	0	112.4	D148	P115-D148 CarbonylContact C-O 3.19Å; P115-D148 WeakPolarHBondContact CA-O 3.01Å
116	V	98.8	Very high	91.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-81.9	162.9	179.8	-52.5	0	0	0	0	111.5	Y145 V146 D148 Q149 S150 T188	V116-Y145 WeakPolarHBondContact CG1-O 3.48Å; V116-V146 HydrophobicContact CG2-CB 3.91Å; V116-V146 HydrophobicContact CG2-CG1 4.16Å; V116-D148 PolarHBondContact N-O 3.31Å; V116-Q149 HydrophobicContact CG2-CG 3.88Å; V116-Q149 WeakPolarHBondContact O-CA 3.27Å; V116-S150 PolarHBondContact O-N 3.18Å; V116-T188 HydrophobicContact CG1-CG2 3.99Å; V116-T188 WeakPolarHBondContact CG1-OG1 3.4Å
117	C	98.9	Very high	91.5	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-67.1	146.4	174.8	-61.7	0	0	0	0	111.5	Q119 C153 Y210 L212	C117-Q119 PolarHBondContact O-N 3.14Å; C117-Q119 PolarHBondContact O-NE2 2.82Å; C117-C153 VanDerWaalsContact CA-CB 3.49Å; C117-C153 WeakPolarHBondContact CA-SG 3.48Å; C117-C153 HydrophobicContact CB-CB 3.82Å; C117-C153 WeakPolarHBondContact CB-SG 3.32Å; C117-C153 WeakPolarHBondContact SG-CB 3.29Å; C117-C153 CovalentContact SG-SG 2.04Å; C117-C153 PolarHBondContact SG-SG 3.42Å; C117-Y210 VanDerWaalsContact SG-C 3.55Å; C117-Y210 PolarHBondContact SG-O 3.03Å; C117-L212 HydrophobicContact CB-CD1 4.3Å; C117-L212 HydrophobicContact CB-CG 4.13Å
118	P	98.7	Very high	91.2	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.026	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-68.1	131.9	-168.4	-22.4	36.3	0	0	0	113.5	S150 L215 Y339 V343	P118-S150 VanDerWaalsContact CD-O 3.27Å; P118-S150 WeakPolarHBondContact CD-O 3.37Å; P118-S150 WeakPolarHBondContact CG-O 3.4Å; P118-L215 HydrophobicContact CB-CD1 4.08Å; P118-L215 HydrophobicContact CG-CD1 3.77Å; P118-Y339 HydrophobicContact CB-CD2 3.41Å; P118-Y339 VanDerWaalsContact CB-CD2 3.41Å; P118-Y339 HydrophobicContact CB-CE2 3.7Å; P118-Y339 HydrophobicContact CB-CG 4.37Å; P118-Y339 HydrophobicContact CG-CD2 3.48Å; P118-Y339 VanDerWaalsContact CG-CD2 3.48Å; P118-Y339 HydrophobicContact CG-CE2 3.73Å; P118-Y339 HydrophobicContact CG-CG 4.07Å; P118-V343 HydrophobicContact CB-CG2 4.18Å
119	Q	97.3	Very high	90.9	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.019	27%	0.265	C	S	.	.			trans	-157.5	158	-170.7	61.6	-166.4	-89.4	0	0	111.3	C117 V146 Q149 E186 G187	C117-Q119 PolarHBondContact O-N 3.14Å; C117-Q119 PolarHBondContact O-NE2 2.82Å; Q119-V146 HydrophobicContact CG-CB 4.38Å; Q119-Q149 PolarHBondContact O-NE2 3.06Å; Q119-Q149 PolarHBondContact O-OE1 3.23Å; Q119-Q149 VanDerWaalsContact O-OE1 3.14Å; Q119-E186 HydrophobicContact CB-CB 4.29Å; Q119-G187 PolarHBondContact NE2-O 3.14Å; Q119-G187 PolarHBondContact OE1-O 3.29Å
120	N	93.4	Very high	90.6	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.144	24%	0.243	C	C	.	.			trans	-132.4	111.7	176.6	-177.3	-24.6	0	0	0	109.9	I122 D123 V343 D344	N120-I122 PolarHBondContact OD1-N 3.25Å; N120-D123 PolarHBondContact ND2-OD2 2.84Å; N120-D123 PolarHBondContact OD1-N 2.99Å; N120-V343 HydrophobicContact CB-CG1 4.29Å; N120-D344 PolarHBondContact ND2-OD1 3.45Å
121	I	89.4	Confident	90.5	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.036	24%	0.243	C	C	.	.			trans	-110.7	-8	-176.1	69.3	167.5	0	0	0	113.7	L126 F135 L139 V142 V146 E186	I121-L126 HydrophobicContact CB-CD1 4.21Å; I121-L126 HydrophobicContact CB-CD2 4.17Å; I121-L126 HydrophobicContact CG2-CD2 4.14Å; I121-F135 HydrophobicContact CG2-CZ 4.42Å; I121-L139 HydrophobicContact CD1-CD2 4.28Å; I121-V142 HydrophobicContact CD1-CB 4.25Å; I121-V142 HydrophobicContact CD1-CG1 3.68Å; I121-V146 HydrophobicContact CD1-CG2 3.59Å; I121-V146 HydrophobicContact CG1-CG2 4.14Å; I121-E186 HydrophobicContact CG2-CB 3.65Å; I121-E186 HydrophobicContact CG2-CG 4.13Å
122	I	74.2	Confident	90.4	Very high	127 Å²	127	41.6 Å²	41.6	65%	0.651	23%	0.23	S	C	*	.	S	Bend	trans	-97.1	-21.7	-168.1	58.8	174	0	0	0	113.8	N120 G124	N120-I122 PolarHBondContact OD1-N 3.25Å; I122-G124 PolarHBondContact O-N 3.4Å; I122-G124 VanDerWaalsContact O-N 3.16Å
123	D	75.8	Confident	90.2	Very high	83 Å²	83	34.9 Å²	34.9	44%	0.444	20%	0.199	S	C	.	.	S	Bend	trans	-82.9	18.5	-175.2	-72.2	-18.2	0	0	0	114	N120 R125	N120-D123 PolarHBondContact ND2-OD2 2.84Å; N120-D123 PolarHBondContact OD1-N 2.99Å; D123-R125 VanDerWaalsContact C-N 3.27Å; D123-R125 HydrophobicContact CB-CG 3.87Å; D123-R125 VanDerWaalsContact CB-NE 3.26Å; D123-R125 WeakPolarHBondContact O-CG 3.2Å; D123-R125 PolarHBondContact O-N 3.11Å; D123-R125 IonicContact OD2-CZ 3.22Å; D123-R125 IonicContact OD2-NE 2.62Å; D123-R125 IonicContact OD2-NH2 2.89Å; D123-R125 PolarHBondContact OD2-NH2 3.42Å
124	G	66.3	Low	90	Very high	75 Å²	75	32.6 Å²	32.6	77%	0.773	19%	0.188	S	C	*	.	S	Bend	trans	65.6	23.2	178.7	0	0	0	0	0	115.1	I122	I122-G124 PolarHBondContact O-N 3.4Å; I122-G124 VanDerWaalsContact O-N 3.16Å
125	R	72.7	Confident	89.9	Confident	81 Å²	81	32 Å²	32	31%	0.306	18%	0.182	S	C	.	.			trans	-96.3	3	-174.5	-45.7	-172.9	-160.3	-177.4	8	114.1	D123 D344	D123-R125 VanDerWaalsContact C-N 3.27Å; D123-R125 HydrophobicContact CB-CG 3.87Å; D123-R125 VanDerWaalsContact CB-NE 3.26Å; D123-R125 WeakPolarHBondContact O-CG 3.2Å; D123-R125 PolarHBondContact O-N 3.11Å; D123-R125 IonicContact OD2-CZ 3.22Å; D123-R125 IonicContact OD2-NE 2.62Å; D123-R125 IonicContact OD2-NH2 2.89Å; D123-R125 PolarHBondContact OD2-NH2 3.42Å; R125-D344 VanDerWaalsContact NH1-C 3.33Å; R125-D344 PolarHBondContact NH1-O 3.44Å; R125-D344 PolarHBondContact NH2-O 3.16Å
126	L	84.6	Confident	89.6	Confident	22 Å²	22	31 Å²	31	12%	0.115	18%	0.176	C	C	.	.			trans	-74.1	132.5	-174.7	-68.2	-177.6	0	0	0	111.3	I121 E128 L131 F135 L139 E186	I121-L126 HydrophobicContact CB-CD1 4.21Å; I121-L126 HydrophobicContact CB-CD2 4.17Å; I121-L126 HydrophobicContact CG2-CD2 4.14Å; L126-E128 VanDerWaalsContact C-N 3.31Å; L126-E128 PolarHBondContact O-N 3.35Å; L126-L131 HydrophobicContact CB-CD1 3.67Å; L126-L131 HydrophobicContact CD1-CD1 4.09Å; L126-L131 HydrophobicContact CD2-CD1 4Å; L126-L131 HydrophobicContact CG-CD1 4.14Å; L126-F135 HydrophobicContact CD1-CE1 4.23Å; L126-L139 HydrophobicContact CD1-CD1 4Å; L126-L139 HydrophobicContact CD1-CD2 3.56Å; L126-L139 HydrophobicContact CD1-CG 4.45Å; L126-E186 HydrophobicContact CD2-CG 3.91Å; L126-E186 WeakPolarHBondContact CD2-OE2 3.28Å
127	P	87.6	Confident	89.3	Confident	43 Å²	43	32.8 Å²	32.8	28%	0.279	19%	0.185	S	C	.	.			trans	-77.4	81	173.7	32.1	-34.2	0	0	0	110.1	V129 M130 L131 S183	P127-V129 PolarHBondContact O-N 2.83Å; P127-M130 HydrophobicContact CB-CB 4.37Å; P127-M130 HydrophobicContact CB-CG 4.45Å; P127-M130 HydrophobicContact CB-SD 4.1Å; P127-M130 HydrophobicContact CG-CB 4.34Å; P127-M130 HydrophobicContact CG-SD 4.25Å; P127-M130 WeakPolarHBondContact O-CB 3.49Å; P127-M130 PolarHBondContact O-N 2.95Å; P127-L131 PolarHBondContact O-N 3.28Å; P127-S183 VanDerWaalsContact CG-CB 3.49Å
128	E	90.1	Very high	89	Confident	81 Å²	81	34.1 Å²	34.1	38%	0.379	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-49.4	-35	-176.4	-73.1	-173.1	-124.3	0	0	113.8	L126 M130 L131 T136 K394	L126-E128 VanDerWaalsContact C-N 3.31Å; L126-E128 PolarHBondContact O-N 3.35Å; E128-M130 PolarHBondContact O-N 2.79Å; E128-M130 VanDerWaalsContact O-N 3.09Å; E128-L131 PolarHBondContact O-N 2.68Å; E128-T136 HydrophobicContact CB-CG2 4.44Å; E128-T136 HydrophobicContact CG-CG2 4Å; E128-K394 HydrophobicContact CB-CB 4.44Å; E128-K394 HydrophobicContact CB-CD 4.22Å; E128-K394 HydrophobicContact CB-CG 4.34Å; E128-K394 WeakPolarHBondContact OE2-CD 3.48Å; E128-K394 WeakPolarHBondContact OE2-CE 3.42Å; E128-K394 IonicContact OE2-NZ 3.58Å; E128-K394 PolarHBondContact OE2-NZ 3.46Å
129	V	92.8	Very high	88.7	Confident	30 Å²	30	36.5 Å²	36.5	18%	0.182	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-66.3	-5.8	177.6	-58.2	0	0	0	0	115.3	P127 K394 F460	P127-V129 PolarHBondContact O-N 2.83Å; V129-K394 HydrophobicContact CG1-CB 4.3Å; V129-F460 HydrophobicContact CB-CE1 4.14Å; V129-F460 HydrophobicContact CB-CZ 4.11Å; V129-F460 HydrophobicContact CG2-CZ 4.36Å
130	M	91.9	Very high	88.5	Confident	14 Å²	14	43.5 Å²	43.5	7%	0.069	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-118.4	-11.7	177.7	-69.9	174.7	55.2	0	0	113.6	P127 E128 W303 I354	P127-M130 HydrophobicContact CB-CB 4.37Å; P127-M130 HydrophobicContact CB-CG 4.45Å; P127-M130 HydrophobicContact CB-SD 4.1Å; P127-M130 HydrophobicContact CG-CB 4.34Å; P127-M130 HydrophobicContact CG-SD 4.25Å; P127-M130 WeakPolarHBondContact O-CB 3.49Å; P127-M130 PolarHBondContact O-N 2.95Å; E128-M130 PolarHBondContact O-N 2.79Å; E128-M130 VanDerWaalsContact O-N 3.09Å; M130-W303 HydrophobicContact CE-CB 3.54Å; M130-W303 HydrophobicContact CE-CD2 4.03Å; M130-W303 HydrophobicContact CE-CE3 4.43Å; M130-W303 HydrophobicContact CE-CG 3.66Å; M130-W303 HydrophobicContact CG-CD2 3.73Å; M130-W303 HydrophobicContact CG-CE3 3.37Å; M130-W303 HydrophobicContact CG-CG 4.37Å; M130-W303 HydrophobicContact CG-CH2 4.05Å; M130-W303 HydrophobicContact CG-CZ2 4.38Å; M130-W303 HydrophobicContact CG-CZ3 3.54Å; M130-W303 HydrophobicContact SD-CB 3.9Å; M130-W303 HydrophobicContact SD-CD2 3.95Å; M130-W303 HydrophobicContact SD-CE3 3.73Å; M130-W303 HydrophobicContact SD-CG 4.06Å; M130-W303 HydrophobicContact SD-CZ3 4.45Å; M130-I354 HydrophobicContact CE-CG2 3.92Å
131	L	94.7	Very high	88.6	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-100.5	152.3	-170.7	-67.7	177.7	0	0	0	111.7	L126 P127 E128 V133 F135 T136 G182 E186	L126-L131 HydrophobicContact CB-CD1 3.67Å; L126-L131 HydrophobicContact CD1-CD1 4.09Å; L126-L131 HydrophobicContact CD2-CD1 4Å; L126-L131 HydrophobicContact CG-CD1 4.14Å; P127-L131 PolarHBondContact O-N 3.28Å; E128-L131 PolarHBondContact O-N 2.68Å; L131-V133 PolarHBondContact O-N 3.32Å; L131-F135 HydrophobicContact CD1-CD1 4.38Å; L131-F135 HydrophobicContact CD1-CE1 4.4Å; L131-T136 HydrophobicContact CB-CG2 3.63Å; L131-T136 HydrophobicContact CD1-CG2 3.84Å; L131-T136 HydrophobicContact CG-CG2 4.4Å; L131-G182 VanDerWaalsContact CD2-C 3.48Å; L131-E186 HydrophobicContact CD2-CG 4.5Å
132	P	96.1	Very high	89	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.026	24%	0.242	C	C	.	.			trans	-57.2	140	173.9	-25	34.7	0	0	0	112.1	W134 F135 T136 H505	P132-W134 VanDerWaalsContact C-N 3.31Å; P132-W134 HydrophobicContact CB-CD2 4.05Å; P132-W134 HydrophobicContact CB-CG 4.25Å; P132-W134 HydrophobicContact CB-CZ2 3.87Å; P132-W134 HydrophobicContact CG-CZ2 4.02Å; P132-W134 PolarHBondContact O-N 2.96Å; P132-F135 HydrophobicContact CB-CB 4.09Å; P132-F135 HydrophobicContact CG-CB 4.49Å; P132-F135 WeakPolarHBondContact O-CB 3.36Å; P132-F135 PolarHBondContact O-N 3.1Å; P132-T136 PolarHBondContact O-N 2.7Å; P132-T136 VanDerWaalsContact O-N 3.14Å; P132-T136 PolarHBondContact O-OG1 3.14Å; P132-H505 VanDerWaalsContact CA-O 3.29Å; P132-H505 WeakPolarHBondContact CA-O 3.45Å
133	V	95.4	Very high	90	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-37.7	-176.8	179.2	0	0	0	0	111.1	L131 F135 T136 N137 L393 V497 A504 H505	L131-V133 PolarHBondContact O-N 3.32Å; V133-F135 PolarHBondContact O-N 3.28Å; V133-T136 PolarHBondContact O-N 3.31Å; V133-T136 PolarHBondContact O-OG1 3.42Å; V133-N137 VanDerWaalsContact O-CB 3.27Å; V133-N137 WeakPolarHBondContact O-CB 3.38Å; V133-N137 PolarHBondContact O-N 2.74Å; V133-L393 HydrophobicContact CG1-CD2 4.32Å; V133-L393 HydrophobicContact CG2-CD2 4.25Å; V133-V497 HydrophobicContact CG1-CG2 3.8Å; V133-A504 HydrophobicContact CG2-CB 3.68Å; V133-H505 PolarHBondContact N-O 2.87Å
134	W	94.9	Very high	91	Very high	23 Å²	23	37.2 Å²	37.2	9%	0.087	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-23.5	173.7	60.5	-103.4	0	0	0	114.1	P132 N138 Y192 G506 V509 L523 F524	P132-W134 VanDerWaalsContact C-N 3.31Å; P132-W134 HydrophobicContact CB-CD2 4.05Å; P132-W134 HydrophobicContact CB-CG 4.25Å; P132-W134 HydrophobicContact CB-CZ2 3.87Å; P132-W134 HydrophobicContact CG-CZ2 4.02Å; P132-W134 PolarHBondContact O-N 2.96Å; W134-N138 VanDerWaalsContact O-CB 3.29Å; W134-N138 WeakPolarHBondContact O-CB 3.38Å; W134-Y192 AromaticContact CH2-CE1 3.85Å; W134-Y192 HydrophobicContact CH2-CE1 3.85Å; W134-Y192 AromaticContact CH2-CZ 3.79Å; W134-Y192 AromaticContact CZ2-CE1 3.86Å; W134-Y192 HydrophobicContact CZ2-CE1 3.86Å; W134-G506 PolarHBondContact NE1-O 3.07Å; W134-G506 VanDerWaalsContact NE1-O 3.08Å; W134-V509 HydrophobicContact CZ2-CG1 4.44Å; W134-L523 HydrophobicContact CE3-CD1 4.13Å; W134-L523 HydrophobicContact CE3-CG 4.32Å; W134-L523 HydrophobicContact CZ3-CD1 4.08Å; W134-L523 HydrophobicContact CZ3-CD2 4.19Å; W134-L523 HydrophobicContact CZ3-CG 4.33Å; W134-F524 HydrophobicContact CB-CD1 4.18Å; W134-F524 HydrophobicContact CB-CE1 4.07Å; W134-F524 AromaticContact CD1-CE1 3.9Å; W134-F524 HydrophobicContact CD2-CD1 4.39Å; W134-F524 AromaticContact CD2-CE1 3.46Å; W134-F524 HydrophobicContact CD2-CE1 3.46Å; W134-F524 VanDerWaalsContact CD2-CE1 3.46Å; W134-F524 HydrophobicContact CD2-CZ 4.05Å; W134-F524 AromaticContact CE2-CE1 3.84Å; W134-F524 AromaticContact CE3-CE1 3.83Å; W134-F524 HydrophobicContact CE3-CE1 3.83Å; W134-F524 HydrophobicContact CE3-CZ 4.13Å; W134-F524 HydrophobicContact CG-CD1 4.17Å; W134-F524 AromaticContact CG-CE1 3.56Å; W134-F524 HydrophobicContact CG-CE1 3.56Å; W134-F524 HydrophobicContact CZ2-CZ 4.43Å; W134-F524 HydrophobicContact CZ3-CZ 4.38Å
135	F	95.3	Very high	92.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-80	-47.1	177.7	-176.1	-78.7	0	0	0	110.3	I121 L126 L131 P132 V133 L139 V142 E186 L191	I121-F135 HydrophobicContact CG2-CZ 4.42Å; L126-F135 HydrophobicContact CD1-CE1 4.23Å; L131-F135 HydrophobicContact CD1-CD1 4.38Å; L131-F135 HydrophobicContact CD1-CE1 4.4Å; P132-F135 HydrophobicContact CB-CB 4.09Å; P132-F135 HydrophobicContact CG-CB 4.49Å; P132-F135 WeakPolarHBondContact O-CB 3.36Å; P132-F135 PolarHBondContact O-N 3.1Å; V133-F135 PolarHBondContact O-N 3.28Å; F135-L139 HydrophobicContact CD1-CD2 4.07Å; F135-L139 HydrophobicContact CE1-CD2 4Å; F135-L139 WeakPolarHBondContact O-CD2 3.3Å; F135-V142 HydrophobicContact CD2-CG1 3.96Å; F135-V142 HydrophobicContact CD2-CG2 4.14Å; F135-V142 HydrophobicContact CE1-CG1 4.27Å; F135-V142 HydrophobicContact CE2-CG1 3.5Å; F135-V142 VanDerWaalsContact CE2-CG1 3.5Å; F135-V142 HydrophobicContact CG-CG2 4.31Å; F135-V142 HydrophobicContact CZ-CG1 3.68Å; F135-E186 HydrophobicContact CE1-CG 4.16Å; F135-E186 HydrophobicContact CZ-CB 4.48Å; F135-E186 HydrophobicContact CZ-CG 3.88Å; F135-L191 HydrophobicContact CD2-CD1 4.35Å; F135-L191 HydrophobicContact CE2-CD1 4.01Å
136	T	92.9	Very high	93.7	Very high	14 Å²	14	33.7 Å²	33.7	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-73.6	-35.3	-177.9	45.6	0	0	0	0	113	E128 L131 P132 V133 N138 L139	E128-T136 HydrophobicContact CB-CG2 4.44Å; E128-T136 HydrophobicContact CG-CG2 4Å; L131-T136 HydrophobicContact CB-CG2 3.63Å; L131-T136 HydrophobicContact CD1-CG2 3.84Å; L131-T136 HydrophobicContact CG-CG2 4.4Å; P132-T136 PolarHBondContact O-N 2.7Å; P132-T136 VanDerWaalsContact O-N 3.14Å; P132-T136 PolarHBondContact O-OG1 3.14Å; V133-T136 PolarHBondContact O-N 3.31Å; V133-T136 PolarHBondContact O-OG1 3.42Å; T136-N138 VanDerWaalsContact C-N 3.27Å; T136-N138 PolarHBondContact O-N 3.47Å; T136-L139 WeakPolarHBondContact O-CG 3.26Å
137	N	92.4	Very high	94.2	Very high	40 Å²	40	39.9 Å²	39.9	21%	0.214	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	5.1	178.1	-66.4	6.8	0	0	0	113.6	V133 K394 Q496	V133-N137 VanDerWaalsContact O-CB 3.27Å; V133-N137 WeakPolarHBondContact O-CB 3.38Å; V133-N137 PolarHBondContact O-N 2.74Å; N137-K394 WeakPolarHBondContact OD1-CE 3.43Å; N137-K394 PolarHBondContact OD1-NZ 3Å; N137-Q496 HydrophobicContact CB-CB 3.96Å; N137-Q496 PolarHBondContact ND2-O 2.96Å
138	N	92.4	Very high	94.7	Very high	30 Å²	30	42.7 Å²	42.7	16%	0.16	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	35.8	-178	-158.4	6.8	0	0	0	113.5	W134 T136 D140 V141 V142 E522 L523	W134-N138 VanDerWaalsContact O-CB 3.29Å; W134-N138 WeakPolarHBondContact O-CB 3.38Å; T136-N138 VanDerWaalsContact C-N 3.27Å; T136-N138 PolarHBondContact O-N 3.47Å; N138-D140 VanDerWaalsContact C-N 3.25Å; N138-D140 PolarHBondContact O-N 3.5Å; N138-V141 PolarHBondContact O-N 2.86Å; N138-V141 VanDerWaalsContact O-N 3.12Å; N138-V141 VanDerWaalsContact OD1-CG2 3.28Å; N138-V141 WeakPolarHBondContact OD1-CG2 3.26Å; N138-V142 WeakPolarHBondContact O-CG2 3.49Å; N138-V142 PolarHBondContact O-N 3.33Å; N138-V142 VanDerWaalsContact O-N 3.09Å; N138-E522 PolarHBondContact ND2-O 2.83Å; N138-L523 PolarHBondContact ND2-O 3Å
139	L	93.3	Very high	95.1	Very high	54 Å²	54	41.1 Å²	41.1	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-27.9	-172.3	-72	171.1	0	0	0	114.7	I121 L126 F135 T136 V142 S143	I121-L139 HydrophobicContact CD1-CD2 4.28Å; L126-L139 HydrophobicContact CD1-CD1 4Å; L126-L139 HydrophobicContact CD1-CD2 3.56Å; L126-L139 HydrophobicContact CD1-CG 4.45Å; F135-L139 HydrophobicContact CD1-CD2 4.07Å; F135-L139 HydrophobicContact CE1-CD2 4Å; F135-L139 WeakPolarHBondContact O-CD2 3.3Å; T136-L139 WeakPolarHBondContact O-CG 3.26Å; L139-V142 PolarHBondContact O-N 3.31Å; L139-S143 VanDerWaalsContact O-CB 3.28Å; L139-S143 WeakPolarHBondContact O-CB 3.47Å; L139-S143 PolarHBondContact O-N 3.39Å; L139-S143 PolarHBondContact O-OG 3.1Å
140	D	93.3	Very high	95.4	Very high	150 Å²	150	41.4 Å²	41.4	80%	0.802	22%	0.219	S	C	*	.	H	α-helix	trans	-63	-44.3	175.5	-72.8	-34.4	0	0	0	111.7	N138	N138-D140 VanDerWaalsContact C-N 3.25Å; N138-D140 PolarHBondContact O-N 3.5Å
141	V	95.6	Very high	95.7	Very high	30 Å²	30	41.5 Å²	41.5	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-72.1	-43.5	176.6	177.8	0	0	0	0	110.5	N138 S143 S144 Y145 E522 L523	N138-V141 PolarHBondContact O-N 2.86Å; N138-V141 VanDerWaalsContact O-N 3.12Å; N138-V141 VanDerWaalsContact OD1-CG2 3.28Å; N138-V141 WeakPolarHBondContact OD1-CG2 3.26Å; V141-S143 PolarHBondContact O-N 2.91Å; V141-S144 WeakPolarHBondContact O-CB 3.35Å; V141-S144 PolarHBondContact O-N 3.41Å; V141-S144 PolarHBondContact O-OG 3.23Å; V141-Y145 HydrophobicContact CG1-CE2 4.23Å; V141-Y145 WeakPolarHBondContact O-CD2 3.28Å; V141-E522 HydrophobicContact CG1-CB 3.92Å; V141-E522 HydrophobicContact CG2-CB 4.38Å; V141-L523 HydrophobicContact CG1-CB 4.34Å; V141-L523 HydrophobicContact CG1-CD1 4.47Å
142	V	96.3	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.4	-40	175.5	177.3	0	0	0	0	111.2	I121 F135 N138 L139 S144 Y145 V146 L191 L523	I121-V142 HydrophobicContact CD1-CB 4.25Å; I121-V142 HydrophobicContact CD1-CG1 3.68Å; F135-V142 HydrophobicContact CD2-CG1 3.96Å; F135-V142 HydrophobicContact CD2-CG2 4.14Å; F135-V142 HydrophobicContact CE1-CG1 4.27Å; F135-V142 HydrophobicContact CE2-CG1 3.5Å; F135-V142 VanDerWaalsContact CE2-CG1 3.5Å; F135-V142 HydrophobicContact CG-CG2 4.31Å; F135-V142 HydrophobicContact CZ-CG1 3.68Å; N138-V142 WeakPolarHBondContact O-CG2 3.49Å; N138-V142 PolarHBondContact O-N 3.33Å; N138-V142 VanDerWaalsContact O-N 3.09Å; L139-V142 PolarHBondContact O-N 3.31Å; V142-S144 PolarHBondContact O-N 3.12Å; V142-Y145 WeakPolarHBondContact O-CB 3.44Å; V142-Y145 PolarHBondContact O-N 3.29Å; V142-V146 PolarHBondContact O-N 3.48Å; V142-L191 HydrophobicContact CG1-CD1 4.35Å; V142-L191 HydrophobicContact CG1-CD2 4.44Å; V142-L191 HydrophobicContact CG2-CD2 4.5Å; V142-L523 HydrophobicContact CG2-CD1 3.75Å
143	S	95.7	Very high	96	Very high	30 Å²	30	43.4 Å²	43.4	21%	0.21	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-32.6	176.6	-64.3	0	0	0	0	112.8	L139 V141 Y145 V146 Q147	L139-S143 VanDerWaalsContact O-CB 3.28Å; L139-S143 WeakPolarHBondContact O-CB 3.47Å; L139-S143 PolarHBondContact O-N 3.39Å; L139-S143 PolarHBondContact O-OG 3.1Å; V141-S143 PolarHBondContact O-N 2.91Å; S143-Y145 VanDerWaalsContact C-N 3.26Å; S143-Y145 PolarHBondContact O-N 2.86Å; S143-V146 PolarHBondContact O-N 2.68Å; S143-Q147 WeakPolarHBondContact O-CB 3.37Å; S143-Q147 PolarHBondContact O-N 2.04Å
144	S	96.7	Very high	96.2	Very high	52 Å²	52	43.2 Å²	43.2	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-66.1	-26.4	176.3	78.7	0	0	0	0	113.6	V141 V142 Q147	V141-S144 WeakPolarHBondContact O-CB 3.35Å; V141-S144 PolarHBondContact O-N 3.41Å; V141-S144 PolarHBondContact O-OG 3.23Å; V142-S144 PolarHBondContact O-N 3.12Å; S144-Q147 PolarHBondContact O-NE2 2.64Å
145	Y	97.6	Very high	96.4	Very high	79 Å²	79	42.9 Å²	42.9	31%	0.31	23%	0.227	S	C	.	.	H	α-helix	trans	-83.6	-22.6	175.6	-74.6	-103.8	0	0	0	113.1	V116 V141 V142 S143 N190 L191	V116-Y145 WeakPolarHBondContact CG1-O 3.48Å; V141-Y145 HydrophobicContact CG1-CE2 4.23Å; V141-Y145 WeakPolarHBondContact O-CD2 3.28Å; V142-Y145 WeakPolarHBondContact O-CB 3.44Å; V142-Y145 PolarHBondContact O-N 3.29Å; S143-Y145 VanDerWaalsContact C-N 3.26Å; S143-Y145 PolarHBondContact O-N 2.86Å; Y145-N190 WeakPolarHBondContact CD1-O 3.21Å; Y145-N190 WeakPolarHBondContact CE1-O 3.5Å; Y145-L191 HydrophobicContact CD1-CD2 3.96Å; Y145-L191 HydrophobicContact CD1-CG 4.23Å; Y145-L191 HydrophobicContact CD2-CD2 3.74Å; Y145-L191 HydrophobicContact CE1-CD2 4.48Å; Y145-L191 HydrophobicContact CE2-CD2 4.3Å; Y145-L191 HydrophobicContact CG-CD2 3.56Å; Y145-L191 HydrophobicContact CG-CG 4.15Å
146	V	97.4	Very high	96.6	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-116.6	14.4	-175	-54	0	0	0	0	114.4	V116 Q119 I121 V142 S143 Q149 T188	V116-V146 HydrophobicContact CG2-CB 3.91Å; V116-V146 HydrophobicContact CG2-CG1 4.16Å; Q119-V146 HydrophobicContact CG-CB 4.38Å; I121-V146 HydrophobicContact CD1-CG2 3.59Å; I121-V146 HydrophobicContact CG1-CG2 4.14Å; V142-V146 PolarHBondContact O-N 3.48Å; S143-V146 PolarHBondContact O-N 2.68Å; V146-Q149 WeakPolarHBondContact O-CG 3.06Å; V146-Q149 PolarHBondContact O-NE2 2.74Å; V146-T188 HydrophobicContact CG1-CG2 3.82Å
147	Q	95.9	Very high	96.9	Very high	152 Å²	152	42.1 Å²	42.1	71%	0.71	22%	0.222	S	C	*	.	S	Bend	trans	-72.2	-33.5	176.6	65	-174.5	-53.1	0	0	113.6	S143 S144	S143-Q147 WeakPolarHBondContact O-CB 3.37Å; S143-Q147 PolarHBondContact O-N 2.04Å; S144-Q147 PolarHBondContact O-NE2 2.64Å
148	D	98.1	Very high	97.2	Very high	101 Å²	101	40.2 Å²	40.2	54%	0.54	21%	0.212	S	C	.	.	S	Bend	trans	-94.9	102.9	178	-174.2	13.7	0	0	0	109.2	P115 V116	P115-D148 CarbonylContact C-O 3.19Å; P115-D148 WeakPolarHBondContact CA-O 3.01Å; V116-D148 PolarHBondContact N-O 3.31Å
149	Q	98.6	Very high	97.5	Very high	49 Å²	49	38.9 Å²	38.9	23%	0.229	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-122.6	134.7	-172	-55.4	-170.6	4.9	0	0	112	V116 Q119 V146 Y339	V116-Q149 HydrophobicContact CG2-CG 3.88Å; V116-Q149 WeakPolarHBondContact O-CA 3.27Å; Q119-Q149 PolarHBondContact O-NE2 3.06Å; Q119-Q149 PolarHBondContact O-OE1 3.23Å; Q119-Q149 VanDerWaalsContact O-OE1 3.14Å; V146-Q149 WeakPolarHBondContact O-CG 3.06Å; V146-Q149 PolarHBondContact O-NE2 2.74Å; Q149-Y339 PolarHBondContact O-OH 3.09Å; Q149-Y339 VanDerWaalsContact O-OH 3.09Å
150	S	98.8	Very high	97.7	Very high	36 Å²	36	36.5 Å²	36.5	25%	0.252	19%	0.192	S	C	.	.			trans	-141.5	153.7	175.2	-175.6	0	0	0	0	110.7	V116 P118 D152 C153	V116-S150 PolarHBondContact O-N 3.18Å; P118-S150 VanDerWaalsContact CD-O 3.27Å; P118-S150 WeakPolarHBondContact CD-O 3.37Å; P118-S150 WeakPolarHBondContact CG-O 3.4Å; S150-D152 VanDerWaalsContact C-N 3.25Å; S150-D152 WeakPolarHBondContact CB-O 3.28Å; S150-D152 PolarHBondContact OG-N 3.09Å; S150-D152 PolarHBondContact OG-O 3.47Å; S150-C153 WeakPolarHBondContact O-CB 3.32Å
151	E	98.7	Very high	97.8	Very high	15 Å²	15	29.7 Å²	29.7	7%	0.07	16%	0.156	C	C	.	.	S	Bend	trans	-72.2	-23.7	165.6	-178.9	162.6	-122.7	0	0	111.6	P89 T90 R94 C153 Y339	P89-E151 VanDerWaalsContact CD-O 3.29Å; P89-E151 WeakPolarHBondContact CD-O 3.47Å; P89-E151 VanDerWaalsContact CG-O 3.28Å; P89-E151 WeakPolarHBondContact CG-O 3.27Å; T90-E151 HydrophobicContact CG2-CB 4.05Å; T90-E151 HydrophobicContact CG2-CG 3.85Å; R94-E151 IonicContact CZ-OE1 2.77Å; R94-E151 IonicContact CZ-OE2 3.78Å; R94-E151 IonicContact NE-OE1 3.76Å; R94-E151 PolarHBondContact NE-OE1 3.34Å; R94-E151 IonicContact NE-OE2 3.87Å; R94-E151 IonicContact NH2-OE1 3.55Å; R94-E151 PolarHBondContact NH2-OE1 3.49Å; R94-E151 IonicContact NH2-OE2 2.73Å; R94-E151 PolarHBondContact NH2-OE2 3.2Å; E151-C153 PolarHBondContact O-N 3.17Å; E151-C153 VanDerWaalsContact O-N 3.14Å; E151-Y339 HydrophobicContact CB-CD1 4.25Å
152	D	98.8	Very high	97.5	Very high	46 Å²	46	29.3 Å²	29.3	25%	0.246	15%	0.154	C	C	.	.			trans	-77.7	87	160.9	-178.9	14.4	0	0	0	109.3	P88 S150 Y155	P88-D152 HydrophobicContact CB-CB 3.98Å; P88-D152 HydrophobicContact CG-CB 4.29Å; S150-D152 VanDerWaalsContact C-N 3.25Å; S150-D152 WeakPolarHBondContact CB-O 3.28Å; S150-D152 PolarHBondContact OG-N 3.09Å; S150-D152 PolarHBondContact OG-O 3.47Å; D152-Y155 VanDerWaalsContact OD1-CE2 3.26Å; D152-Y155 WeakPolarHBondContact OD1-CE2 3.41Å; D152-Y155 PolarHBondContact OD1-OH 3.36Å; D152-Y155 PolarHBondContact OD2-OH 3.02Å
153	C	98.8	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.			trans	-132.9	6.5	-175.5	67	0	0	0	0	115.1	C117 S150 E151 Y155 N209	C117-C153 VanDerWaalsContact CA-CB 3.49Å; C117-C153 WeakPolarHBondContact CA-SG 3.48Å; C117-C153 HydrophobicContact CB-CB 3.82Å; C117-C153 WeakPolarHBondContact CB-SG 3.32Å; C117-C153 WeakPolarHBondContact SG-CB 3.29Å; C117-C153 CovalentContact SG-SG 2.04Å; C117-C153 PolarHBondContact SG-SG 3.42Å; S150-C153 WeakPolarHBondContact O-CB 3.32Å; E151-C153 PolarHBondContact O-N 3.17Å; E151-C153 VanDerWaalsContact O-N 3.14Å; C153-Y155 VanDerWaalsContact C-CD2 3.43Å; C153-Y155 PolarHBondContact O-N 3Å; C153-N209 WeakPolarHBondContact O-CB 3.39Å
154	L	98.9	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.			trans	-80.6	67.1	-174.6	-58.7	-172.2	0	0	0	112.3	Y85 A86 P89 P98 R211 D233	Y85-L154 VanDerWaalsContact CD1-O 3.26Å; Y85-L154 WeakPolarHBondContact CD1-O 3.38Å; Y85-L154 HydrophobicContact CE1-CB 4.13Å; Y85-L154 WeakPolarHBondContact CE1-O 3.34Å; Y85-L154 HydrophobicContact CE2-CB 4.45Å; Y85-L154 PolarHBondContact N-O 3Å; A86-L154 HydrophobicContact CB-CB 3.95Å; A86-L154 HydrophobicContact CB-CD1 3.66Å; A86-L154 HydrophobicContact CB-CG 4.46Å; P89-L154 HydrophobicContact CB-CD1 4.2Å; P89-L154 HydrophobicContact CG-CD1 3.88Å; P89-L154 HydrophobicContact CG-CG 3.99Å; P98-L154 HydrophobicContact CB-CD1 4.14Å; L154-R211 HydrophobicContact CD2-CG 4.16Å; L154-D233 HydrophobicContact CD2-CB 4.28Å; L154-D233 WeakPolarHBondContact CD2-OD2 3.49Å
155	Y	98.9	Very high	92.9	Very high	17 Å²	17	38.1 Å²	38.1	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.8	-174.6	-64.1	-80.3	0	0	0	111.6	G82 V83 P84 R108 A114 D152 C153 N209	G82-Y155 VanDerWaalsContact O-CD1 3.31Å; G82-Y155 WeakPolarHBondContact O-CD1 3.46Å; V83-Y155 WeakPolarHBondContact O-CA 3.5Å; P84-Y155 HydrophobicContact CB-CD1 3.98Å; P84-Y155 HydrophobicContact CB-CE1 3.62Å; P84-Y155 HydrophobicContact CG-CE1 4.2Å; R108-Y155 VanDerWaalsContact NH2-CE1 3.34Å; A114-Y155 HydrophobicContact CB-CD1 3.85Å; A114-Y155 HydrophobicContact CB-CD2 3.38Å; A114-Y155 HydrophobicContact CB-CE1 4.29Å; A114-Y155 HydrophobicContact CB-CE2 3.9Å; A114-Y155 HydrophobicContact CB-CG 3.39Å; D152-Y155 VanDerWaalsContact OD1-CE2 3.26Å; D152-Y155 WeakPolarHBondContact OD1-CE2 3.41Å; D152-Y155 PolarHBondContact OD1-OH 3.36Å; D152-Y155 PolarHBondContact OD2-OH 3.02Å; C153-Y155 VanDerWaalsContact C-CD2 3.43Å; C153-Y155 PolarHBondContact O-N 3Å; Y155-N209 WeakPolarHBondContact O-CB 3.31Å; Y155-N209 PolarHBondContact O-N 3.36Å; Y155-N209 PolarHBondContact O-ND2 2.89Å; Y155-N209 VanDerWaalsContact O-ND2 3.16Å
156	L	98.9	Very high	90.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	159.8	170.4	60.6	79.2	0	0	0	111.2	V83 Y85 I158 I206 T207 V208 A237 W240	V83-L156 HydrophobicContact CB-CD1 3.99Å; V83-L156 WeakPolarHBondContact CB-O 3.44Å; V83-L156 HydrophobicContact CG1-CD1 4.23Å; V83-L156 PolarHBondContact N-O 3.41Å; V83-L156 PolarHBondContact O-N 3.06Å; Y85-L156 HydrophobicContact CD1-CB 4.06Å; Y85-L156 HydrophobicContact CD1-CD2 3.91Å; Y85-L156 HydrophobicContact CD1-CG 3.99Å; Y85-L156 HydrophobicContact CG-CD2 3.96Å; Y85-L156 HydrophobicContact CG-CG 4.42Å; L156-I158 HydrophobicContact CD1-CD1 3.88Å; L156-I158 HydrophobicContact CD1-CG1 3.56Å; L156-I206 HydrophobicContact CB-CG2 4.14Å; L156-I206 HydrophobicContact CD1-CG2 4.14Å; L156-I206 HydrophobicContact CD2-CG2 4.34Å; L156-I206 HydrophobicContact CG-CG2 4.45Å; L156-T207 CarbonylContact C-O 3.44Å; L156-T207 VanDerWaalsContact CA-O 3.28Å; L156-T207 WeakPolarHBondContact CA-O 3.28Å; L156-T207 WeakPolarHBondContact CB-O 3.44Å; L156-V208 HydrophobicContact CB-CG2 4.21Å; L156-A237 HydrophobicContact CD2-CB 4.28Å; L156-W240 HydrophobicContact CD1-CE3 4.33Å; L156-W240 HydrophobicContact CD1-CH2 4.44Å; L156-W240 HydrophobicContact CD1-CZ3 3.98Å; L156-W240 HydrophobicContact CD2-CD2 4.41Å; L156-W240 HydrophobicContact CD2-CE3 3.86Å; L156-W240 HydrophobicContact CD2-CZ3 4.33Å
157	N	98.9	Very high	88.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.2	176.5	-45.5	-57.3	0	0	0	109.2	F80 L81 G82 F113 Y159 N190 I206 T207	F80-N157 CarbonylContact O-C 3.35Å; F80-N157 VanDerWaalsContact O-CA 3.27Å; F80-N157 WeakPolarHBondContact O-CA 3.34Å; L81-N157 WeakPolarHBondContact CA-OD1 3.12Å; L81-N157 HydrophobicContact CD2-CB 3.81Å; G82-N157 PolarHBondContact N-OD1 2.94Å; F113-N157 WeakPolarHBondContact CD1-OD1 3.28Å; F113-N157 HydrophobicContact CE1-CB 4.44Å; F113-N157 WeakPolarHBondContact CE1-ND2 3.08Å; N157-Y159 HydrophobicContact CB-CE2 4.11Å; N157-N190 PolarHBondContact ND2-OD1 3.29Å; N157-I206 CarbonylContact O-C 3.49Å; N157-I206 VanDerWaalsContact O-CA 3.23Å; N157-I206 WeakPolarHBondContact O-CA 3.26Å; N157-T207 WeakPolarHBondContact CB-OG1 3.45Å; N157-T207 PolarHBondContact N-O 3.33Å; N157-T207 PolarHBondContact ND2-OG1 2.88Å; N157-T207 PolarHBondContact O-N 3.17Å
158	I	98.9	Very high	86.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.6	-176.8	-47.1	173.7	0	0	0	109.3	Q79 F80 L156 V160 I204 I206 W240 I245 F248	Q79-I158 CarbonylContact C-O 3.33Å; Q79-I158 WeakPolarHBondContact CA-O 3.2Å; F80-I158 HydrophobicContact CB-CB 4.23Å; F80-I158 PolarHBondContact N-O 2.84Å; F80-I158 PolarHBondContact O-N 2.85Å; L156-I158 HydrophobicContact CD1-CD1 3.88Å; L156-I158 HydrophobicContact CD1-CG1 3.56Å; I158-V160 HydrophobicContact CG2-CG2 3.81Å; I158-I204 HydrophobicContact CG2-CG2 3.56Å; I158-I206 HydrophobicContact CG1-CG1 4.4Å; I158-I206 HydrophobicContact CG2-CG1 4.28Å; I158-W240 HydrophobicContact CD1-CH2 3.81Å; I158-W240 HydrophobicContact CD1-CZ3 3.85Å; I158-I245 HydrophobicContact CD1-CD1 4.39Å; I158-I245 HydrophobicContact CG2-CD1 4.16Å; I158-F248 HydrophobicContact CD1-CD1 4.14Å; I158-F248 HydrophobicContact CD1-CD2 4.27Å; I158-F248 HydrophobicContact CD1-CE1 3.78Å; I158-F248 HydrophobicContact CD1-CE2 3.92Å; I158-F248 HydrophobicContact CD1-CG 4.38Å; I158-F248 HydrophobicContact CD1-CZ 3.66Å; I158-F248 HydrophobicContact CG2-CD1 4.46Å
159	Y	98.8	Very high	84.7	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.7	178.4	-55	-96.6	0	0	0	108.7	Q79 L81 N157 D193 S195 I204 V205 T207	Q79-Y159 HydrophobicContact CG-CD1 3.93Å; Q79-Y159 HydrophobicContact CG-CE1 4.24Å; L81-Y159 HydrophobicContact CD2-CE1 4.35Å; N157-Y159 HydrophobicContact CB-CE2 4.11Å; Y159-D193 VanDerWaalsContact CE1-OD1 3.27Å; Y159-D193 WeakPolarHBondContact CE1-OD1 3.32Å; Y159-S195 WeakPolarHBondContact CD1-OG 3.32Å; Y159-I204 WeakPolarHBondContact O-CA 3.4Å; Y159-V205 HydrophobicContact CD2-CB 4.37Å; Y159-V205 HydrophobicContact CD2-CG1 4.43Å; Y159-V205 PolarHBondContact N-O 3.35Å; Y159-V205 PolarHBondContact O-N 3.29Å; Y159-T207 HydrophobicContact CE2-CG2 4.01Å
160	V	97.8	Very high	83.1	Confident	3 Å²	3	46 Å²	46	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.8	-174.3	-173.9	0	0	0	0	109.9	L48 V77 I78 F80 I158 I204 F248	L48-V160 HydrophobicContact CD1-CG1 4.19Å; V77-V160 CarbonylContact C-O 3.59Å; V77-V160 VanDerWaalsContact CA-O 3.24Å; V77-V160 WeakPolarHBondContact CA-O 3.24Å; V77-V160 WeakPolarHBondContact CB-O 3.06Å; I78-V160 HydrophobicContact CB-CB 4.47Å; I78-V160 PolarHBondContact N-O 2.95Å; I78-V160 PolarHBondContact O-N 2.92Å; F80-V160 HydrophobicContact CD2-CG2 4.41Å; F80-V160 HydrophobicContact CE2-CG2 4.31Å; I158-V160 HydrophobicContact CG2-CG2 3.81Å; V160-I204 HydrophobicContact CG1-CD1 4.25Å; V160-I204 HydrophobicContact CG1-CG1 4.28Å; V160-I204 HydrophobicContact CG2-CD1 4.3Å; V160-I204 HydrophobicContact CG2-CG1 4.43Å; V160-I204 HydrophobicContact CG2-CG2 4.31Å; V160-F248 HydrophobicContact CG2-CB 4.21Å; V160-F248 HydrophobicContact CG2-CD1 4.41Å
161	P	95.4	Very high	82.2	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.045	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	135.7	176.9	29.8	-33.2	0	0	0	111.5	K173 V203	P161-K173 HydrophobicContact CG-CD 3.72Å; P161-V203 VanDerWaalsContact CD-O 3.3Å; P161-V203 WeakPolarHBondContact CD-O 3.19Å
162	T	88.4	Confident	81.9	Confident	22 Å²	22	48.3 Å²	48.3	14%	0.135	27%	0.269	C	S	.	.	S	Bend	trans	-82.7	-16.7	-178.9	60.4	0	0	0	0	114.3	K47 P76 I78	K47-T162 PolarHBondContact NZ-O 3.22Å; P76-T162 WeakPolarHBondContact CG-OG1 3.34Å; P76-T162 WeakPolarHBondContact O-CB 3.27Å; P76-T162 WeakPolarHBondContact O-CG2 3.46Å; P76-T162 PolarHBondContact O-N 3.39Å; P76-T162 PolarHBondContact O-OG1 2.95Å; I78-T162 HydrophobicContact CD1-CG2 3.7Å; I78-T162 HydrophobicContact CG1-CG2 3.8Å
163	E	71.8	Confident	81.7	Confident	119 Å²	119	46.9 Å²	46.9	56%	0.556	26%	0.261	S	S	*	.	S	Bend	trans	-91.8	149	177.6	-61.5	-164.7	163.7	0	0	111.5	K173	E163-K173 PolarHBondContact O-NZ 2.88Å
164	D	62.8	Low	81.7	Confident	89 Å²	89	46.9 Å²	46.9	48%	0.476	26%	0.261	S	S	.	.			trans	-105.4	121.3	168.2	-67.5	-48	0	0	0	108	I166 K173	D164-I166 PolarHBondContact O-N 2.99Å; D164-K173 IonicContact OD1-NZ 3.57Å; D164-K173 PolarHBondContact OD1-NZ 3.22Å
165	D	58.5	Low	81.7	Confident	60 Å²	60	46.9 Å²	46.9	32%	0.321	26%	0.261	S	S	.	.			trans	-56.3	128.8	172.2	-178.4	-7.6	0	0	0	108.9	R167 D168 N202	D165-R167 PolarHBondContact O-N 3.42Å; D165-R167 WeakPolarHBondContact OD1-CB 3.44Å; D165-R167 WeakPolarHBondContact OD1-CG 3.27Å; D165-R167 PolarHBondContact OD1-N 3.43Å; D165-D168 HydrophobicContact CB-CB 4.42Å; D165-D168 PolarHBondContact O-N 2.79Å; D165-N202 HydrophobicContact CB-CB 4.36Å; D165-N202 VanDerWaalsContact CB-ND2 3.33Å; D165-N202 WeakPolarHBondContact CB-ND2 3.31Å
166	I	54.5	Low	81.7	Confident	176 Å²	176	46.1 Å²	46.1	90%	0.903	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.5	177.8	-58.4	168.1	0	0	0	111.6	D164	D164-I166 PolarHBondContact O-N 2.99Å
167	R	53.8	Low	81.7	Confident	156 Å²	156	46.2 Å²	46.2	59%	0.589	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-18.9	174.7	-58.5	178.2	175.7	-159.8	0.4	114.2	D165	D165-R167 PolarHBondContact O-N 3.42Å; D165-R167 WeakPolarHBondContact OD1-CB 3.44Å; D165-R167 WeakPolarHBondContact OD1-CG 3.27Å; D165-R167 PolarHBondContact OD1-N 3.43Å
168	D	56.6	Low	81.7	Confident	60 Å²	60	46.4 Å²	46.4	32%	0.321	26%	0.259	S	S	.	.	S	Bend	trans	-104.4	145.8	177.9	-154.8	-26.3	0	0	0	110.6	D165 G170	D165-D168 HydrophobicContact CB-CB 4.42Å; D165-D168 PolarHBondContact O-N 2.79Å; D168-G170 PolarHBondContact O-N 2.76Å
169	S	52.2	Low	81.7	Confident	124 Å²	124	46.5 Å²	46.5	87%	0.867	26%	0.26	S	S	*	.			trans	-86.1	25.9	-164.6	-61.1	0	0	0	0	114.2	G171	S169-G171 PolarHBondContact O-N 2.83Å
170	G	63.8	Low	81.7	Confident	35 Å²	35	46.4 Å²	46.4	36%	0.361	26%	0.26	S	S	.	.	S	Bend	trans	64.8	27.2	-167.6	0	0	0	0	0	112.9	D168	D168-G170 PolarHBondContact O-N 2.76Å
171	G	81.8	Confident	81.4	Confident	27 Å²	27	46.4 Å²	46.4	28%	0.278	26%	0.26	S	S	.	.			trans	-79.7	174.6	178	0	0	0	0	0	113	S169 K173	S169-G171 PolarHBondContact O-N 2.83Å; G171-K173 PolarHBondContact O-N 3.11Å
172	P	91.4	Very high	81.2	Confident	71 Å²	71	46.3 Å²	46.3	46%	0.461	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-54.8	133.9	171.4	-26.6	36.8	0	0	0	111.7	G249 D251 R254	P172-G249 CarbonylContact C-O 3.59Å; P172-G249 WeakPolarHBondContact CA-O 3.45Å; P172-D251 HydrophobicContact CB-CB 3.77Å; P172-R254 PolarHBondContact O-NH2 3.4Å
173	K	95.1	Very high	81.4	Confident	16 Å²	16	45.4 Å²	45.4	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	145.1	-177.3	-57.5	179	-166.2	-83.6	0	110.5	P161 E163 D164 G171 N202 I204 G249 G250 D251	P161-K173 HydrophobicContact CG-CD 3.72Å; E163-K173 PolarHBondContact O-NZ 2.88Å; D164-K173 IonicContact OD1-NZ 3.57Å; D164-K173 PolarHBondContact OD1-NZ 3.22Å; G171-K173 PolarHBondContact O-N 3.11Å; K173-N202 WeakPolarHBondContact CD-OD1 3.39Å; K173-N202 PolarHBondContact NZ-OD1 2.98Å; K173-I204 HydrophobicContact CB-CG1 4.32Å; K173-G249 PolarHBondContact N-O 3.4Å; K173-G250 CarbonylContact O-C 3.08Å; K173-G250 WeakPolarHBondContact O-CA 3.44Å; K173-D251 PolarHBondContact O-N 2.85Å
174	P	97.8	Very high	82.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	155.3	172.7	-14.8	25.2	0	0	0	111.8	V203 I204 R254 K548	P174-V203 HydrophobicContact CB-CG1 4.03Å; P174-V203 HydrophobicContact CG-CG1 4.03Å; P174-I204 PolarHBondContact O-N 3.27Å; P174-R254 HydrophobicContact CB-CB 4.33Å; P174-K548 HydrophobicContact CG-CB 4.29Å; P174-K548 HydrophobicContact CG-CG 3.57Å
175	V	98.7	Very high	84.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126	-176.7	-173.1	0	0	0	0	109.7	V177 I204 I206 T241 I245 R254 I255 T256	V175-V177 HydrophobicContact CG1-CG2 4.06Å; V175-I204 CarbonylContact C-O 3.57Å; V175-I204 WeakPolarHBondContact CA-O 3.35Å; V175-I206 HydrophobicContact CG1-CD1 3.74Å; V175-I206 HydrophobicContact CG1-CG1 4.16Å; V175-T241 HydrophobicContact CG1-CG2 4.11Å; V175-I245 HydrophobicContact CG1-CG1 4.15Å; V175-I245 HydrophobicContact CG2-CG1 3.8Å; V175-I245 HydrophobicContact CG2-CG2 3.99Å; V175-R254 PolarHBondContact N-O 3.43Å; V175-I255 HydrophobicContact CB-CG1 4.14Å; V175-I255 WeakPolarHBondContact O-CA 3.49Å; V175-T256 PolarHBondContact O-N 2.81Å
176	M	98.9	Very high	86.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110.9	176.4	-66.6	-171.1	69.6	0	0	109.9	V203 I204 V205 I206 T256 F258 I293 W543 T544 A547	M176-V203 HydrophobicContact CG-CG2 4.39Å; M176-V203 HydrophobicContact SD-CG2 4.08Å; M176-I204 PolarHBondContact N-O 3.4Å; M176-V205 CarbonylContact O-C 3.45Å; M176-V205 WeakPolarHBondContact O-CA 3.37Å; M176-I206 PolarHBondContact O-N 3.33Å; M176-T256 CarbonylContact C-O 3.55Å; M176-T256 WeakPolarHBondContact CA-O 3.35Å; M176-F258 HydrophobicContact CB-CD1 4.18Å; M176-F258 HydrophobicContact CB-CE1 3.69Å; M176-F258 HydrophobicContact CB-CZ 4.42Å; M176-F258 HydrophobicContact CE-CD1 4.21Å; M176-F258 HydrophobicContact CE-CD2 4.37Å; M176-F258 HydrophobicContact CE-CE1 4.17Å; M176-F258 HydrophobicContact CE-CE2 4.32Å; M176-F258 HydrophobicContact CE-CG 4.33Å; M176-F258 HydrophobicContact CE-CZ 4.23Å; M176-I293 HydrophobicContact CE-CD1 4.08Å; M176-W543 HydrophobicContact CE-CB 4.33Å; M176-T544 HydrophobicContact SD-CG2 4.01Å; M176-A547 HydrophobicContact CE-CB 4.33Å; M176-A547 HydrophobicContact CG-CB 3.59Å; M176-A547 HydrophobicContact SD-CB 3.66Å
177	V	98.9	Very high	88.2	Confident	2 Å²	2	28 Å²	28	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	108.9	-176.6	-174.2	0	0	0	0	109.6	V175 I206 V208 L238 T241 I255 T256 V257 F258	V175-V177 HydrophobicContact CG1-CG2 4.06Å; V177-I206 HydrophobicContact CG1-CB 4.45Å; V177-I206 HydrophobicContact CG1-CG2 4.45Å; V177-I206 HydrophobicContact CG2-CB 4.31Å; V177-I206 HydrophobicContact CG2-CD1 4.3Å; V177-V208 HydrophobicContact CG1-CG2 3.87Å; V177-L238 HydrophobicContact CB-CD2 4.29Å; V177-L238 HydrophobicContact CG1-CD2 4.13Å; V177-L238 HydrophobicContact CG2-CD2 4.2Å; V177-T241 HydrophobicContact CG2-CG2 4.34Å; V177-I255 HydrophobicContact CG2-CG2 3.96Å; V177-T256 PolarHBondContact N-O 2.88Å; V177-V257 WeakPolarHBondContact O-CA 3.45Å; V177-F258 WeakPolarHBondContact O-CD1 3.33Å; V177-F258 PolarHBondContact O-N 3.15Å
178	Y	98.9	Very high	90.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.2	179.7	-168.8	-108.3	0	0	0	112.2	H180 Y192 I206 V208 F258	Y178-H180 HydrophobicContact CE1-CB 4.09Å; Y178-Y192 HydrophobicContact CD1-CD1 4.15Å; Y178-Y192 HydrophobicContact CD1-CD2 4.19Å; Y178-Y192 AromaticContact CD1-CG 3.88Å; Y178-Y192 HydrophobicContact CD1-CG 3.88Å; Y178-Y192 AromaticContact CE1-CD1 3.28Å; Y178-Y192 HydrophobicContact CE1-CD1 3.28Å; Y178-Y192 AromaticContact CE1-CD2 3.7Å; Y178-Y192 HydrophobicContact CE1-CD2 3.7Å; Y178-Y192 AromaticContact CE1-CE1 3.5Å; Y178-Y192 HydrophobicContact CE1-CE1 3.5Å; Y178-Y192 VanDerWaalsContact CE1-CE1 3.5Å; Y178-Y192 AromaticContact CE1-CE2 3.92Å; Y178-Y192 HydrophobicContact CE1-CE2 3.92Å; Y178-Y192 AromaticContact CE1-CG 3.39Å; Y178-Y192 HydrophobicContact CE1-CG 3.39Å; Y178-Y192 AromaticContact CE1-CZ 3.81Å; Y178-Y192 AromaticContact CZ-CD1 3.71Å; Y178-Y192 AromaticContact CZ-CE1 3.72Å; Y178-Y192 WeakPolarHBondContact OH-CE1 3.3Å; Y178-I206 PolarHBondContact N-O 2.76Å; Y178-V208 PolarHBondContact O-N 3.35Å; Y178-F258 CarbonylContact C-O 3.44Å; Y178-F258 VanDerWaalsContact CA-O 3.31Å; Y178-F258 WeakPolarHBondContact CA-O 3.39Å; Y178-F258 HydrophobicContact CD2-CD1 4.09Å; Y178-F258 AromaticContact CD2-CD2 3.63Å; Y178-F258 HydrophobicContact CD2-CD2 3.63Å; Y178-F258 AromaticContact CD2-CE1 3.96Å; Y178-F258 HydrophobicContact CD2-CE1 3.96Å; Y178-F258 AromaticContact CD2-CE2 3.5Å; Y178-F258 HydrophobicContact CD2-CE2 3.5Å; Y178-F258 AromaticContact CD2-CG 3.92Å; Y178-F258 HydrophobicContact CD2-CG 3.92Å; Y178-F258 AromaticContact CD2-CZ 3.67Å; Y178-F258 HydrophobicContact CD2-CZ 3.67Å; Y178-F258 WeakPolarHBondContact CD2-O 3.42Å; Y178-F258 HydrophobicContact CE2-CD2 4.15Å; Y178-F258 HydrophobicContact CE2-CE2 4.15Å; Y178-F258 HydrophobicContact CG-CE1 4.26Å; Y178-F258 HydrophobicContact CG-CE2 4.38Å; Y178-F258 HydrophobicContact CG-CZ 4.12Å
179	I	98.9	Very high	92.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.3	171.6	-54.9	-177.1	0	0	0	107.1	Y210 L234 V257 F258 G259 C266 V267 L270	I179-Y210 HydrophobicContact CG2-CE1 4.03Å; I179-L234 HydrophobicContact CB-CD2 4.47Å; I179-L234 HydrophobicContact CD1-CD1 4.18Å; I179-L234 HydrophobicContact CD1-CD2 3.98Å; I179-L234 HydrophobicContact CD1-CG 4.49Å; I179-L234 HydrophobicContact CG1-CD2 3.93Å; I179-L234 HydrophobicContact CG2-CD1 3.87Å; I179-L234 HydrophobicContact CG2-CD2 3.91Å; I179-V257 HydrophobicContact CD1-CG1 3.4Å; I179-V257 HydrophobicContact CG1-CG1 3.82Å; I179-F258 PolarHBondContact N-O 2.86Å; I179-G259 WeakPolarHBondContact O-CA 3.46Å; I179-C266 HydrophobicContact CG2-CB 3.84Å; I179-V267 HydrophobicContact CD1-CG2 4.15Å; I179-L270 HydrophobicContact CD1-CD1 3.5Å; I179-L270 VanDerWaalsContact CD1-CD1 3.5Å
180	H	98.7	Very high	94.5	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	8%	0.083	C	C	.	.			trans	-70.8	152.8	-177.5	67.3	83.6	0	0	0	112.6	Y178 T188 G189 Y192 V208 Y210 G263	Y178-H180 HydrophobicContact CE1-CB 4.09Å; H180-T188 PolarHBondContact CE1-N 3.02Å; H180-G189 PolarHBondContact CD2-N 2.92Å; H180-Y192 HydrophobicContact CB-CD2 4.1Å; H180-Y192 HydrophobicContact CB-CE2 3.39Å; H180-V208 PolarHBondContact CD2-O 2.93Å; H180-Y210 AromaticContact CD2-CE1 3.77Å; H180-Y210 AromaticContact CE1-CE1 3.63Å; H180-Y210 AromaticContact CE1-CZ 3.98Å; H180-Y210 AromaticContact NE2-CD1 3.83Å; H180-Y210 AromaticContact NE2-CE1 3.46Å; H180-Y210 WeakPolarHBondContact NE2-CE1 3.21Å; H180-Y210 PolarHBondContact O-OH 3.35Å; H180-G263 WeakPolarHBondContact O-CA 3.46Å
181	G	92.3	Very high	96.2	Very high	3 Å²	3	10.8 Å²	10.8	3%	0.031	7%	0.067	C	C	.	.			trans	-84	-162.4	168	0	0	0	0	0	113.2	S260	G181-S260 WeakPolarHBondContact CA-O 3.41Å
182	G	90.6	Very high	97	Very high	4 Å²	4	9.6 Å²	9.6	4%	0.041	5%	0.054	C	C	.	.	S	Bend	trans	132	-157.1	-161.5	0	0	0	0	0	108	L131 A262	L131-G182 VanDerWaalsContact CD2-C 3.48Å; G182-A262 WeakPolarHBondContact O-CB 3.31Å
183	S	94.2	Very high	97.3	Very high	4 Å²	4	9.2 Å²	9.2	3%	0.028	5%	0.048	C	C	.	.	S	Bend	trans	-113.4	27	169.8	67.1	0	0	0	0	111.5	P127 M185 E186	P127-S183 VanDerWaalsContact CG-CB 3.49Å; S183-M185 PolarHBondContact O-N 3.39Å; S183-E186 WeakPolarHBondContact CA-OE1 3.38Å; S183-E186 WeakPolarHBondContact CB-OE1 3.42Å; S183-E186 PolarHBondContact N-OE1 3.41Å; S183-E186 PolarHBondContact OG-OE1 3.33Å; S183-E186 PolarHBondContact OG-OE2 3Å
184	Y	98.1	Very high	97.5	Very high	1 Å²	1	8.4 Å²	8.4	0%	0.004	5%	0.045	C	C	.	.	S	Bend	trans	64.5	-8.9	-161.4	-46.2	-73.3	0	0	0	115.6	L212 G213 F217 A262 S265 A304 I354 P358	Y184-L212 WeakPolarHBondContact O-CA 3.36Å; Y184-L212 WeakPolarHBondContact O-CB 3.27Å; Y184-G213 PolarHBondContact O-N 2.83Å; Y184-F217 HydrophobicContact CD1-CZ 4.27Å; Y184-A262 HydrophobicContact CD1-CB 3.99Å; Y184-A262 HydrophobicContact CE1-CB 3.85Å; Y184-A262 HydrophobicContact CE2-CB 4.44Å; Y184-A262 HydrophobicContact CG-CB 4.35Å; Y184-S265 WeakPolarHBondContact OH-CB 3.4Å; Y184-A304 PolarHBondContact OH-O 2.82Å; Y184-I354 HydrophobicContact CD2-CD1 3.96Å; Y184-I354 HydrophobicContact CD2-CG2 4.43Å; Y184-I354 HydrophobicContact CE2-CD1 3.86Å; Y184-P358 HydrophobicContact CD1-CG 4.4Å; Y184-P358 HydrophobicContact CE1-CG 3.81Å; Y184-P358 VanDerWaalsContact CE2-CD 3.41Å; Y184-P358 HydrophobicContact CE2-CG 4.2Å
185	M	97.1	Very high	97.5	Very high	70 Å²	70	8.5 Å²	8.5	35%	0.345	5%	0.046	S	C	.	.	S	Bend	trans	-89.7	-26.6	-177.1	-63.2	-67.3	-61.5	0	0	113.9	S183 G213 F356	S183-M185 PolarHBondContact O-N 3.39Å; M185-G213 WeakPolarHBondContact SD-CA 3.48Å; M185-F356 HydrophobicContact CE-CD2 4.44Å; M185-F356 HydrophobicContact SD-CB 4.04Å; M185-F356 HydrophobicContact SD-CD2 4.28Å
186	E	96.8	Very high	97.5	Very high	6 Å²	6	8.7 Å²	8.7	3%	0.028	5%	0.047	C	C	.	.	S	Bend	trans	-144.1	173.7	-173.1	64.2	-70.6	99.4	0	0	112.6	Q119 I121 L126 L131 F135 S183	Q119-E186 HydrophobicContact CB-CB 4.29Å; I121-E186 HydrophobicContact CG2-CB 3.65Å; I121-E186 HydrophobicContact CG2-CG 4.13Å; L126-E186 HydrophobicContact CD2-CG 3.91Å; L126-E186 WeakPolarHBondContact CD2-OE2 3.28Å; L131-E186 HydrophobicContact CD2-CG 4.5Å; F135-E186 HydrophobicContact CE1-CG 4.16Å; F135-E186 HydrophobicContact CZ-CB 4.48Å; F135-E186 HydrophobicContact CZ-CG 3.88Å; S183-E186 WeakPolarHBondContact CA-OE1 3.38Å; S183-E186 WeakPolarHBondContact CB-OE1 3.42Å; S183-E186 PolarHBondContact N-OE1 3.41Å; S183-E186 PolarHBondContact OG-OE1 3.33Å; S183-E186 PolarHBondContact OG-OE2 3Å
187	G	97.4	Very high	97.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.			trans	111.9	174.2	-178.1	0	0	0	0	0	113.4	Q119 L212	Q119-G187 PolarHBondContact NE2-O 3.14Å; Q119-G187 PolarHBondContact OE1-O 3.29Å; G187-L212 WeakPolarHBondContact O-CD1 3.44Å
188	T	98.8	Very high	97.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.			trans	-161.4	147	174.4	168.6	0	0	0	0	109.4	V116 V146 H180 N190 L191 Y192 N209	V116-T188 HydrophobicContact CG1-CG2 3.99Å; V116-T188 WeakPolarHBondContact CG1-OG1 3.4Å; V146-T188 HydrophobicContact CG1-CG2 3.82Å; H180-T188 PolarHBondContact CE1-N 3.02Å; T188-N190 HydrophobicContact CG2-CB 4.08Å; T188-N190 PolarHBondContact O-N 3.41Å; T188-N190 VanDerWaalsContact OG1-CB 3.3Å; T188-N190 WeakPolarHBondContact OG1-CB 3.4Å; T188-N190 PolarHBondContact OG1-N 3.13Å; T188-N190 PolarHBondContact OG1-ND2 3.03Å; T188-L191 HydrophobicContact CG2-CB 4.4Å; T188-L191 HydrophobicContact CG2-CD1 3.71Å; T188-L191 HydrophobicContact CG2-CG 3.68Å; T188-L191 PolarHBondContact O-N 2.9Å; T188-Y192 VanDerWaalsContact O-CD2 3.32Å; T188-Y192 WeakPolarHBondContact O-CD2 3.43Å; T188-Y192 VanDerWaalsContact O-CE2 3.23Å; T188-Y192 WeakPolarHBondContact O-CE2 3.33Å; T188-N209 WeakPolarHBondContact CA-OD1 3.23Å; T188-N209 WeakPolarHBondContact CB-OD1 3.32Å; T188-N209 PolarHBondContact OG1-OD1 3.26Å
189	G	98.6	Very high	97.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-60.6	-21.7	169.8	0	0	0	0	0	112.9	H180 L191 Y192 T207 N209	H180-G189 PolarHBondContact CD2-N 2.92Å; G189-L191 VanDerWaalsContact C-N 3.26Å; G189-L191 PolarHBondContact O-N 2.83Å; G189-Y192 PolarHBondContact O-N 3.45Å; G189-T207 WeakPolarHBondContact O-CB 3.41Å; G189-T207 PolarHBondContact O-OG1 2.75Å; G189-N209 PolarHBondContact N-OD1 3.07Å
190	N	98.6	Very high	97.3	Very high	8 Å²	8	11.3 Å²	11.3	4%	0.043	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-69.2	-18.9	-176.5	-54.6	-10.9	0	0	0	113.4	F113 A114 Y145 N157 T188 Y192 N209	F113-N190 HydrophobicContact CD1-CB 3.81Å; F113-N190 VanDerWaalsContact CD1-CG 3.46Å; F113-N190 WeakPolarHBondContact CD1-OD1 3.36Å; F113-N190 HydrophobicContact CD2-CB 4.2Å; F113-N190 HydrophobicContact CE1-CB 3.91Å; F113-N190 HydrophobicContact CE2-CB 4.29Å; F113-N190 HydrophobicContact CG-CB 3.96Å; F113-N190 HydrophobicContact CZ-CB 4.16Å; A114-N190 PolarHBondContact O-ND2 2.04Å; Y145-N190 WeakPolarHBondContact CD1-O 3.21Å; Y145-N190 WeakPolarHBondContact CE1-O 3.5Å; N157-N190 PolarHBondContact ND2-OD1 3.29Å; T188-N190 HydrophobicContact CG2-CB 4.08Å; T188-N190 PolarHBondContact O-N 3.41Å; T188-N190 VanDerWaalsContact OG1-CB 3.3Å; T188-N190 WeakPolarHBondContact OG1-CB 3.4Å; T188-N190 PolarHBondContact OG1-N 3.13Å; T188-N190 PolarHBondContact OG1-ND2 3.03Å; N190-Y192 VanDerWaalsContact C-N 3.25Å; N190-Y192 PolarHBondContact O-N 3.34Å; N190-N209 PolarHBondContact OD1-ND2 2.98Å; N190-N209 VanDerWaalsContact OD1-ND2 3.1Å
191	L	98.3	Very high	97.2	Very high	6 Å²	6	11.3 Å²	11.3	3%	0.031	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-71.9	-15.9	176	-77.6	159.5	0	0	0	113.4	F135 V142 Y145 T188 G189 L523	F135-L191 HydrophobicContact CD2-CD1 4.35Å; F135-L191 HydrophobicContact CE2-CD1 4.01Å; V142-L191 HydrophobicContact CG1-CD1 4.35Å; V142-L191 HydrophobicContact CG1-CD2 4.44Å; V142-L191 HydrophobicContact CG2-CD2 4.5Å; Y145-L191 HydrophobicContact CD1-CD2 3.96Å; Y145-L191 HydrophobicContact CD1-CG 4.23Å; Y145-L191 HydrophobicContact CD2-CD2 3.74Å; Y145-L191 HydrophobicContact CE1-CD2 4.48Å; Y145-L191 HydrophobicContact CE2-CD2 4.3Å; Y145-L191 HydrophobicContact CG-CD2 3.56Å; Y145-L191 HydrophobicContact CG-CG 4.15Å; T188-L191 HydrophobicContact CG2-CB 4.4Å; T188-L191 HydrophobicContact CG2-CD1 3.71Å; T188-L191 HydrophobicContact CG2-CG 3.68Å; T188-L191 PolarHBondContact O-N 2.9Å; G189-L191 VanDerWaalsContact C-N 3.26Å; G189-L191 PolarHBondContact O-N 2.83Å; L191-L523 HydrophobicContact CB-CD2 4.14Å; L191-L523 HydrophobicContact CD2-CD1 3.87Å; L191-L523 HydrophobicContact CD2-CD2 3.69Å; L191-L523 HydrophobicContact CD2-CG 4.45Å; L191-L523 VanDerWaalsContact O-CD2 3.26Å; L191-L523 WeakPolarHBondContact O-CD2 3.29Å
192	Y	98.4	Very high	97.4	Very high	3 Å²	3	12 Å²	12	1%	0.012	6%	0.063	C	C	.	.	S	Bend	trans	-114.9	89.1	-166.8	-54.9	-96.9	0	0	0	109.8	W134 Y178 H180 T188 G189 N190 G194 T207 V509 L513	W134-Y192 AromaticContact CH2-CE1 3.85Å; W134-Y192 HydrophobicContact CH2-CE1 3.85Å; W134-Y192 AromaticContact CH2-CZ 3.79Å; W134-Y192 AromaticContact CZ2-CE1 3.86Å; W134-Y192 HydrophobicContact CZ2-CE1 3.86Å; Y178-Y192 HydrophobicContact CD1-CD1 4.15Å; Y178-Y192 HydrophobicContact CD1-CD2 4.19Å; Y178-Y192 AromaticContact CD1-CG 3.88Å; Y178-Y192 HydrophobicContact CD1-CG 3.88Å; Y178-Y192 AromaticContact CE1-CD1 3.28Å; Y178-Y192 HydrophobicContact CE1-CD1 3.28Å; Y178-Y192 AromaticContact CE1-CD2 3.7Å; Y178-Y192 HydrophobicContact CE1-CD2 3.7Å; Y178-Y192 AromaticContact CE1-CE1 3.5Å; Y178-Y192 HydrophobicContact CE1-CE1 3.5Å; Y178-Y192 VanDerWaalsContact CE1-CE1 3.5Å; Y178-Y192 AromaticContact CE1-CE2 3.92Å; Y178-Y192 HydrophobicContact CE1-CE2 3.92Å; Y178-Y192 AromaticContact CE1-CG 3.39Å; Y178-Y192 HydrophobicContact CE1-CG 3.39Å; Y178-Y192 AromaticContact CE1-CZ 3.81Å; Y178-Y192 AromaticContact CZ-CD1 3.71Å; Y178-Y192 AromaticContact CZ-CE1 3.72Å; Y178-Y192 WeakPolarHBondContact OH-CE1 3.3Å; H180-Y192 HydrophobicContact CB-CD2 4.1Å; H180-Y192 HydrophobicContact CB-CE2 3.39Å; T188-Y192 VanDerWaalsContact O-CD2 3.32Å; T188-Y192 WeakPolarHBondContact O-CD2 3.43Å; T188-Y192 VanDerWaalsContact O-CE2 3.23Å; T188-Y192 WeakPolarHBondContact O-CE2 3.33Å; G189-Y192 PolarHBondContact O-N 3.45Å; N190-Y192 VanDerWaalsContact C-N 3.25Å; N190-Y192 PolarHBondContact O-N 3.34Å; Y192-G194 PolarHBondContact O-N 3.42Å; Y192-G194 VanDerWaalsContact O-N 3.09Å; Y192-T207 WeakPolarHBondContact O-CG2 3.31Å; Y192-V509 HydrophobicContact CD1-CG1 3.99Å; Y192-V509 HydrophobicContact CE1-CG1 3.98Å; Y192-L513 HydrophobicContact CD1-CD1 4.01Å; Y192-L513 HydrophobicContact CG-CD1 4.46Å
193	D	98.4	Very high	97.8	Very high	62 Å²	62	11.8 Å²	11.8	33%	0.332	6%	0.061	S	C	.	.			trans	-68.8	108.4	-179.9	-169.4	-17.7	0	0	0	110.9	Y159 S195	Y159-D193 VanDerWaalsContact CE1-OD1 3.27Å; Y159-D193 WeakPolarHBondContact CE1-OD1 3.32Å; D193-S195 PolarHBondContact O-N 2.9Å; D193-S195 WeakPolarHBondContact OD1-CB 3.48Å; D193-S195 PolarHBondContact OD1-N 3.4Å; D193-S195 PolarHBondContact OD1-OG 3.28Å
194	G	98.6	Very high	98	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.			trans	-75.8	-3.8	179.8	0	0	0	0	0	114.9	Y192 V196 L197 A198	Y192-G194 PolarHBondContact O-N 3.42Å; Y192-G194 VanDerWaalsContact O-N 3.09Å; G194-V196 PolarHBondContact O-N 2.99Å; G194-L197 PolarHBondContact O-N 2.86Å; G194-A198 VanDerWaalsContact O-CB 3.26Å; G194-A198 WeakPolarHBondContact O-CB 3.37Å; G194-A198 PolarHBondContact O-N 2.99Å
195	S	98.6	Very high	98	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-61.3	-43.8	-169.5	-56.5	0	0	0	0	113.7	V77 Q79 Y159 D193 S199	V77-S195 WeakPolarHBondContact CG1-O 3.42Å; Q79-S195 PolarHBondContact NE2-OG 3.06Å; Y159-S195 WeakPolarHBondContact CD1-OG 3.32Å; D193-S195 PolarHBondContact O-N 2.9Å; D193-S195 WeakPolarHBondContact OD1-CB 3.48Å; D193-S195 PolarHBondContact OD1-N 3.4Å; D193-S195 PolarHBondContact OD1-OG 3.28Å; S195-S199 VanDerWaalsContact O-CB 3.31Å; S195-S199 WeakPolarHBondContact O-CB 3.26Å; S195-S199 PolarHBondContact O-N 2.84Å
196	V	98.6	Very high	98.1	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.024	4%	0.043	C	C	.	.	H	α-helix	trans	-69.5	-47.3	-178.9	177.1	0	0	0	0	110.5	L69 L74 G194 A198 S199 Y200 L513 M517 I518 M540	L69-V196 HydrophobicContact CD2-CB 4.26Å; L69-V196 HydrophobicContact CD2-CG2 3.6Å; L74-V196 HydrophobicContact CD1-CB 4.49Å; L74-V196 HydrophobicContact CD1-CG1 3.78Å; L74-V196 HydrophobicContact CD1-CG2 4.34Å; G194-V196 PolarHBondContact O-N 2.99Å; V196-A198 VanDerWaalsContact C-N 3.31Å; V196-A198 PolarHBondContact O-N 3.14Å; V196-S199 PolarHBondContact O-N 2.94Å; V196-Y200 WeakPolarHBondContact O-CB 3.44Å; V196-Y200 PolarHBondContact O-N 2.97Å; V196-L513 WeakPolarHBondContact CB-O 3.47Å; V196-M517 HydrophobicContact CG1-CB 4.21Å; V196-M517 HydrophobicContact CG1-CG 4.45Å; V196-M517 HydrophobicContact CG1-SD 4.09Å; V196-I518 HydrophobicContact CG2-CD1 4.3Å; V196-I518 HydrophobicContact CG2-CG1 4.42Å; V196-I518 HydrophobicContact CG2-CG2 3.65Å; V196-M540 HydrophobicContact CG1-CE 4.06Å; V196-M540 HydrophobicContact CG1-SD 4.26Å
197	L	98.8	Very high	98.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.6	-39.7	176.3	177.3	61.5	0	0	0	112.2	G194 G201 V205 F258 M540 T544	G194-L197 PolarHBondContact O-N 2.86Å; L197-G201 VanDerWaalsContact O-CA 3.31Å; L197-G201 WeakPolarHBondContact O-CA 3.49Å; L197-G201 PolarHBondContact O-N 3.3Å; L197-V205 HydrophobicContact CB-CG2 4.08Å; L197-V205 HydrophobicContact CD2-CG2 3.88Å; L197-V205 HydrophobicContact CG-CG2 3.77Å; L197-F258 HydrophobicContact CD2-CE2 4.15Å; L197-F258 HydrophobicContact CD2-CZ 3.77Å; L197-M540 HydrophobicContact CB-SD 4.2Å; L197-M540 HydrophobicContact CD1-CB 4.18Å; L197-M540 HydrophobicContact CD1-CG 3.88Å; L197-M540 HydrophobicContact CD1-SD 3.99Å; L197-T544 HydrophobicContact CD1-CG2 3.54Å
198	A	98.4	Very high	98.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.6	-50	175.9	0	0	0	0	0	112.2	V77 G194 V196 N202 V203 V205	V77-A198 HydrophobicContact CG1-CB 4.25Å; G194-A198 VanDerWaalsContact O-CB 3.26Å; G194-A198 WeakPolarHBondContact O-CB 3.37Å; G194-A198 PolarHBondContact O-N 2.99Å; V196-A198 VanDerWaalsContact C-N 3.31Å; V196-A198 PolarHBondContact O-N 3.14Å; A198-N202 WeakPolarHBondContact O-CA 3.23Å; A198-N202 PolarHBondContact O-N 3.35Å; A198-V203 VanDerWaalsContact CA-O 3.23Å; A198-V203 WeakPolarHBondContact CA-O 3.16Å; A198-V203 WeakPolarHBondContact CB-O 3.23Å; A198-V203 PolarHBondContact O-N 3.09Å; A198-V205 HydrophobicContact CB-CB 4.37Å; A198-V205 HydrophobicContact CB-CG2 3.91Å
199	S	97.4	Very high	98.3	Very high	21 Å²	21	8.1 Å²	8.1	15%	0.147	4%	0.043	C	C	.	.	H	α-helix	trans	-63.8	-56.5	179.4	179.4	0	0	0	0	112.1	G75 S195 V196 G201 N202	G75-S199 PolarHBondContact N-OG 2.89Å; G75-S199 WeakPolarHBondContact O-CB 3.4Å; G75-S199 PolarHBondContact O-OG 2.94Å; S195-S199 VanDerWaalsContact O-CB 3.31Å; S195-S199 WeakPolarHBondContact O-CB 3.26Å; S195-S199 PolarHBondContact O-N 2.84Å; V196-S199 PolarHBondContact O-N 2.94Å; S199-G201 VanDerWaalsContact C-N 3.32Å; S199-G201 PolarHBondContact O-N 2.87Å; S199-N202 PolarHBondContact O-N 2.87Å
200	Y	97.3	Very high	98.3	Very high	41 Å²	41	8.1 Å²	8.1	16%	0.161	4%	0.043	C	C	.	.	H	α-helix	trans	-60.8	-41	178.8	-178.6	-86.5	0	0	0	112.2	L74 V196 M517 A537 M540 T541 I563	L74-Y200 HydrophobicContact CD2-CD2 4.31Å; V196-Y200 WeakPolarHBondContact O-CB 3.44Å; V196-Y200 PolarHBondContact O-N 2.97Å; Y200-M517 HydrophobicContact CD2-CE 3.72Å; Y200-M517 HydrophobicContact CD2-SD 3.84Å; Y200-M517 HydrophobicContact CE2-CE 3.68Å; Y200-M517 HydrophobicContact CE2-SD 4.37Å; Y200-M517 HydrophobicContact CG-CE 4.48Å; Y200-A537 HydrophobicContact CE2-CB 4.14Å; Y200-A537 PolarHBondContact OH-O 2.87Å; Y200-A537 VanDerWaalsContact OH-O 3.08Å; Y200-M540 HydrophobicContact CD1-CB 3.62Å; Y200-M540 HydrophobicContact CD1-CE 3.87Å; Y200-M540 HydrophobicContact CD1-SD 4.31Å; Y200-M540 HydrophobicContact CD2-CE 4.09Å; Y200-M540 HydrophobicContact CE1-CB 3.78Å; Y200-M540 HydrophobicContact CE1-CE 4.45Å; Y200-M540 HydrophobicContact CG-CE 3.7Å; Y200-M540 HydrophobicContact CG-SD 4.42Å; Y200-T541 PolarHBondContact OH-OG1 3.22Å; Y200-I563 HydrophobicContact CD2-CG1 4.05Å; Y200-I563 HydrophobicContact CE2-CG1 3.92Å; Y200-I563 HydrophobicContact CE2-CG2 3.91Å
201	G	96.8	Very high	98.3	Very high	1 Å²	1	8 Å²	8	1%	0.01	4%	0.042	C	C	.	.	H	α-helix	trans	-76.9	-23.3	-175.9	0	0	0	0	0	114.7	L197 S199 V203 K548	L197-G201 VanDerWaalsContact O-CA 3.31Å; L197-G201 WeakPolarHBondContact O-CA 3.49Å; L197-G201 PolarHBondContact O-N 3.3Å; S199-G201 VanDerWaalsContact C-N 3.32Å; S199-G201 PolarHBondContact O-N 2.87Å; G201-V203 VanDerWaalsContact C-N 3.26Å; G201-K548 WeakPolarHBondContact O-CE 3.21Å; G201-K548 PolarHBondContact O-NZ 2.91Å
202	N	96.3	Very high	98.4	Very high	17 Å²	17	7.9 Å²	7.9	9%	0.091	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	51.4	-158.6	-177.4	32.2	0	0	0	111	D165 K173 A198 S199	D165-N202 HydrophobicContact CB-CB 4.36Å; D165-N202 VanDerWaalsContact CB-ND2 3.33Å; D165-N202 WeakPolarHBondContact CB-ND2 3.31Å; K173-N202 WeakPolarHBondContact CD-OD1 3.39Å; K173-N202 PolarHBondContact NZ-OD1 2.98Å; A198-N202 WeakPolarHBondContact O-CA 3.23Å; A198-N202 PolarHBondContact O-N 3.35Å; S199-N202 PolarHBondContact O-N 2.87Å
203	V	97.9	Very high	98.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-130.5	154.8	176.5	-61.7	0	0	0	0	109.1	P161 P174 M176 A198 G201 V205 T544	P161-V203 VanDerWaalsContact CD-O 3.3Å; P161-V203 WeakPolarHBondContact CD-O 3.19Å; P174-V203 HydrophobicContact CB-CG1 4.03Å; P174-V203 HydrophobicContact CG-CG1 4.03Å; M176-V203 HydrophobicContact CG-CG2 4.39Å; M176-V203 HydrophobicContact SD-CG2 4.08Å; A198-V203 VanDerWaalsContact CA-O 3.23Å; A198-V203 WeakPolarHBondContact CA-O 3.16Å; A198-V203 WeakPolarHBondContact CB-O 3.23Å; A198-V203 PolarHBondContact O-N 3.09Å; G201-V203 VanDerWaalsContact C-N 3.26Å; V203-V205 HydrophobicContact CG2-CG2 4.1Å; V203-T544 HydrophobicContact CG1-CG2 4.3Å; V203-T544 HydrophobicContact CG2-CG2 4.09Å
204	I	98.7	Very high	98.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.8	167.3	-61.6	-178.5	0	0	0	108	I158 Y159 V160 K173 P174 V175 M176 I206 I245 F248	I158-I204 HydrophobicContact CG2-CG2 3.56Å; Y159-I204 WeakPolarHBondContact O-CA 3.4Å; V160-I204 HydrophobicContact CG1-CD1 4.25Å; V160-I204 HydrophobicContact CG1-CG1 4.28Å; V160-I204 HydrophobicContact CG2-CD1 4.3Å; V160-I204 HydrophobicContact CG2-CG1 4.43Å; V160-I204 HydrophobicContact CG2-CG2 4.31Å; K173-I204 HydrophobicContact CB-CG1 4.32Å; P174-I204 PolarHBondContact O-N 3.27Å; V175-I204 CarbonylContact C-O 3.57Å; V175-I204 WeakPolarHBondContact CA-O 3.35Å; M176-I204 PolarHBondContact N-O 3.4Å; I204-I206 HydrophobicContact CG2-CG1 4.32Å; I204-I245 HydrophobicContact CD1-CG1 4.47Å; I204-I245 HydrophobicContact CG2-CD1 4.15Å; I204-F248 HydrophobicContact CD1-CB 4.21Å; I204-F248 WeakPolarHBondContact CD1-O 3.36Å
205	V	98.9	Very high	98.4	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.006	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.8	172.5	-178.3	0	0	0	0	108.9	Y159 M176 L197 A198 V203	Y159-V205 HydrophobicContact CD2-CB 4.37Å; Y159-V205 HydrophobicContact CD2-CG1 4.43Å; Y159-V205 PolarHBondContact N-O 3.35Å; Y159-V205 PolarHBondContact O-N 3.29Å; M176-V205 CarbonylContact O-C 3.45Å; M176-V205 WeakPolarHBondContact O-CA 3.37Å; L197-V205 HydrophobicContact CB-CG2 4.08Å; L197-V205 HydrophobicContact CD2-CG2 3.88Å; L197-V205 HydrophobicContact CG-CG2 3.77Å; A198-V205 HydrophobicContact CB-CB 4.37Å; A198-V205 HydrophobicContact CB-CG2 3.91Å; V203-V205 HydrophobicContact CG2-CG2 4.1Å
206	I	98.9	Very high	98.4	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.2	173.4	-57.1	-178.5	0	0	0	108.5	L156 N157 I158 V175 M176 V177 Y178 I204 V208 T241 I245	L156-I206 HydrophobicContact CB-CG2 4.14Å; L156-I206 HydrophobicContact CD1-CG2 4.14Å; L156-I206 HydrophobicContact CD2-CG2 4.34Å; L156-I206 HydrophobicContact CG-CG2 4.45Å; N157-I206 CarbonylContact O-C 3.49Å; N157-I206 VanDerWaalsContact O-CA 3.23Å; N157-I206 WeakPolarHBondContact O-CA 3.26Å; I158-I206 HydrophobicContact CG1-CG1 4.4Å; I158-I206 HydrophobicContact CG2-CG1 4.28Å; V175-I206 HydrophobicContact CG1-CD1 3.74Å; V175-I206 HydrophobicContact CG1-CG1 4.16Å; M176-I206 PolarHBondContact O-N 3.33Å; V177-I206 HydrophobicContact CG1-CB 4.45Å; V177-I206 HydrophobicContact CG1-CG2 4.45Å; V177-I206 HydrophobicContact CG2-CB 4.31Å; V177-I206 HydrophobicContact CG2-CD1 4.3Å; Y178-I206 PolarHBondContact N-O 2.76Å; I204-I206 HydrophobicContact CG2-CG1 4.32Å; I206-V208 HydrophobicContact CG2-CG2 4.23Å; I206-T241 HydrophobicContact CD1-CG2 3.57Å; I206-I245 HydrophobicContact CD1-CD1 3.66Å; I206-I245 HydrophobicContact CD1-CG1 4.28Å; I206-I245 HydrophobicContact CG1-CD1 4.48Å
207	T	98.9	Very high	98.4	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.006	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.9	168.3	61.8	0	0	0	0	109.5	L156 N157 Y159 G189 Y192	L156-T207 CarbonylContact C-O 3.44Å; L156-T207 VanDerWaalsContact CA-O 3.28Å; L156-T207 WeakPolarHBondContact CA-O 3.28Å; L156-T207 WeakPolarHBondContact CB-O 3.44Å; N157-T207 WeakPolarHBondContact CB-OG1 3.45Å; N157-T207 PolarHBondContact N-O 3.33Å; N157-T207 PolarHBondContact ND2-OG1 2.88Å; N157-T207 PolarHBondContact O-N 3.17Å; Y159-T207 HydrophobicContact CE2-CG2 4.01Å; G189-T207 WeakPolarHBondContact O-CB 3.41Å; G189-T207 PolarHBondContact O-OG1 2.75Å; Y192-T207 WeakPolarHBondContact O-CG2 3.31Å
208	V	98.9	Very high	98.4	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.006	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141	-176.2	-174.4	0	0	0	0	111	Y85 L156 V177 Y178 H180 I206 L234 A237	Y85-V208 HydrophobicContact CE1-CG1 3.79Å; L156-V208 HydrophobicContact CB-CG2 4.21Å; V177-V208 HydrophobicContact CG1-CG2 3.87Å; Y178-V208 PolarHBondContact O-N 3.35Å; H180-V208 PolarHBondContact CD2-O 2.93Å; I206-V208 HydrophobicContact CG2-CG2 4.23Å; V208-L234 HydrophobicContact CB-CD2 4.25Å; V208-L234 HydrophobicContact CG1-CD2 4.02Å; V208-A237 HydrophobicContact CB-CB 4.46Å; V208-A237 HydrophobicContact CG1-CB 3.61Å; V208-A237 HydrophobicContact CG2-CB 3.93Å
209	N	98.9	Very high	98.4	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.011	3%	0.029	C	C	.	.			trans	-101.3	132	160.8	-63.1	-76.4	0	0	0	109	Y85 C153 Y155 T188 G189 N190	Y85-N209 WeakPolarHBondContact CE1-O 3.29Å; Y85-N209 PolarHBondContact OH-O 3.33Å; C153-N209 WeakPolarHBondContact O-CB 3.39Å; Y155-N209 WeakPolarHBondContact O-CB 3.31Å; Y155-N209 PolarHBondContact O-N 3.36Å; Y155-N209 PolarHBondContact O-ND2 2.89Å; Y155-N209 VanDerWaalsContact O-ND2 3.16Å; T188-N209 WeakPolarHBondContact CA-OD1 3.23Å; T188-N209 WeakPolarHBondContact CB-OD1 3.32Å; T188-N209 PolarHBondContact OG1-OD1 3.26Å; G189-N209 PolarHBondContact N-OD1 3.07Å; N190-N209 PolarHBondContact OD1-ND2 2.98Å; N190-N209 VanDerWaalsContact OD1-ND2 3.1Å
210	Y	98.9	Very high	98.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.			trans	-130	157.5	179.7	61.8	-83.8	0	0	0	109.6	C117 I179 H180 L212 F217 L234	C117-Y210 VanDerWaalsContact SG-C 3.55Å; C117-Y210 PolarHBondContact SG-O 3.03Å; I179-Y210 HydrophobicContact CG2-CE1 4.03Å; H180-Y210 AromaticContact CD2-CE1 3.77Å; H180-Y210 AromaticContact CE1-CE1 3.63Å; H180-Y210 AromaticContact CE1-CZ 3.98Å; H180-Y210 AromaticContact NE2-CD1 3.83Å; H180-Y210 AromaticContact NE2-CE1 3.46Å; H180-Y210 WeakPolarHBondContact NE2-CE1 3.21Å; H180-Y210 PolarHBondContact O-OH 3.35Å; Y210-L212 HydrophobicContact CD2-CD2 3.94Å; Y210-L212 HydrophobicContact CE1-CD2 4.41Å; Y210-L212 HydrophobicContact CE2-CD2 3.54Å; Y210-L212 WeakPolarHBondContact O-CD2 3.41Å; Y210-L212 WeakPolarHBondContact O-CG 3.44Å; Y210-L212 PolarHBondContact O-N 3.21Å; Y210-F217 HydrophobicContact CD2-CZ 4.42Å; Y210-F217 HydrophobicContact CE2-CE2 4.24Å; Y210-F217 HydrophobicContact CE2-CZ 4.1Å; Y210-L234 HydrophobicContact CD1-CD1 4.17Å; Y210-L234 HydrophobicContact CD1-CD2 3.69Å; Y210-L234 HydrophobicContact CD1-CG 4.08Å; Y210-L234 HydrophobicContact CD2-CD1 4.26Å; Y210-L234 HydrophobicContact CD2-CG 4.5Å; Y210-L234 HydrophobicContact CE1-CD1 4.41Å; Y210-L234 HydrophobicContact CE1-CD2 4.4Å; Y210-L234 HydrophobicContact CG-CD1 4.09Å; Y210-L234 HydrophobicContact CG-CD2 4.02Å; Y210-L234 HydrophobicContact CG-CG 3.93Å
211	R	98.9	Very high	98.5	Very high	5 Å²	5	5.8 Å²	5.8	2%	0.019	5%	0.046	C	C	.	.			trans	-60.6	137.3	-178.8	-77.8	171.3	-78.4	179.4	-2.2	111.7	P89 Q96 L154 G216 F217 D233	P89-R211 HydrophobicContact CG-CG 4.16Å; Q96-R211 PolarHBondContact O-NH1 2.94Å; Q96-R211 PolarHBondContact O-NH2 3.28Å; L154-R211 HydrophobicContact CD2-CG 4.16Å; R211-G216 VanDerWaalsContact CB-CA 3.47Å; R211-G216 WeakPolarHBondContact O-CA 3.1Å; R211-F217 WeakPolarHBondContact O-CE2 3.38Å; R211-D233 WeakPolarHBondContact CB-OD2 3.33Å; R211-D233 VanDerWaalsContact CG-OD2 3.29Å; R211-D233 WeakPolarHBondContact CG-OD2 3.43Å; R211-D233 IonicContact CZ-OD1 3.13Å; R211-D233 IonicContact CZ-OD2 3.76Å; R211-D233 PolarHBondContact N-OD2 3.4Å; R211-D233 IonicContact NE-OD1 2.73Å; R211-D233 PolarHBondContact NE-OD1 3.05Å; R211-D233 IonicContact NE-OD2 3.3Å; R211-D233 PolarHBondContact NE-OD2 3.23Å; R211-D233 IonicContact NH2-OD1 2.66Å; R211-D233 PolarHBondContact NH2-OD1 3.2Å; R211-D233 IonicContact NH2-OD2 2.68Å
212	L	98.8	Very high	98.6	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.016	6%	0.061	C	C	.	.			trans	-111.4	158.6	-173.8	-55.7	179.1	0	0	0	112.3	C117 Y184 G187 Y210 V214 L215 G216	C117-L212 HydrophobicContact CB-CD1 4.3Å; C117-L212 HydrophobicContact CB-CG 4.13Å; Y184-L212 WeakPolarHBondContact O-CA 3.36Å; Y184-L212 WeakPolarHBondContact O-CB 3.27Å; G187-L212 WeakPolarHBondContact O-CD1 3.44Å; Y210-L212 HydrophobicContact CD2-CD2 3.94Å; Y210-L212 HydrophobicContact CE1-CD2 4.41Å; Y210-L212 HydrophobicContact CE2-CD2 3.54Å; Y210-L212 WeakPolarHBondContact O-CD2 3.41Å; Y210-L212 WeakPolarHBondContact O-CG 3.44Å; Y210-L212 PolarHBondContact O-N 3.21Å; L212-V214 PolarHBondContact O-N 2.96Å; L212-L215 PolarHBondContact O-N 3.39Å; L212-L215 VanDerWaalsContact O-N 3.08Å; L212-G216 PolarHBondContact O-N 2.92Å
213	G	98.2	Very high	98.6	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	44.8	-127	174.4	0	0	0	0	0	113.7	Y184 M185 L215 G216 F217	Y184-G213 PolarHBondContact O-N 2.83Å; M185-G213 WeakPolarHBondContact SD-CA 3.48Å; G213-L215 VanDerWaalsContact C-N 3.28Å; G213-L215 PolarHBondContact O-N 3.03Å; G213-G216 PolarHBondContact O-N 3.3Å; G213-F217 WeakPolarHBondContact O-CB 3.44Å; G213-F217 PolarHBondContact O-N 3.44Å
214	V	98.6	Very high	98.7	Very high	6 Å²	6	15.7 Å²	15.7	4%	0.036	10%	0.096	C	C	.	.	H	α-helix	trans	-50.4	-47	178.7	176	0	0	0	0	112.2	F95 L212 G216 L218 L316 L342 F356	F95-V214 HydrophobicContact CE1-CG1 4.18Å; F95-V214 WeakPolarHBondContact CE1-O 3.38Å; F95-V214 HydrophobicContact CZ-CG1 4.35Å; L212-V214 PolarHBondContact O-N 2.96Å; V214-G216 PolarHBondContact O-N 3.5Å; V214-L218 HydrophobicContact CG1-CB 4.31Å; V214-L218 HydrophobicContact CG1-CD1 4.06Å; V214-L218 WeakPolarHBondContact O-CB 3.43Å; V214-L218 PolarHBondContact O-N 3.14Å; V214-L316 HydrophobicContact CB-CD2 4.38Å; V214-L316 HydrophobicContact CG1-CD2 3.49Å; V214-L316 VanDerWaalsContact CG1-CD2 3.49Å; V214-L316 HydrophobicContact CG2-CD1 4.4Å; V214-L316 HydrophobicContact CG2-CD2 3.91Å; V214-L342 HydrophobicContact CG1-CB 4.23Å; V214-L342 HydrophobicContact CG1-CD1 4.42Å; V214-F356 HydrophobicContact CG2-CD2 3.83Å; V214-F356 HydrophobicContact CG2-CE1 4.48Å; V214-F356 HydrophobicContact CG2-CE2 3.71Å; V214-F356 HydrophobicContact CG2-CG 4.29Å; V214-F356 HydrophobicContact CG2-CZ 4.06Å
215	L	98.9	Very high	98.7	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-74	-28.8	-172.4	-57.1	174.4	0	0	0	112.4	R94 F95 P118 L212 G213 L342 V343	R94-L215 HydrophobicContact CG-CD2 4.08Å; F95-L215 HydrophobicContact CE1-CD2 4.45Å; P118-L215 HydrophobicContact CB-CD1 4.08Å; P118-L215 HydrophobicContact CG-CD1 3.77Å; L212-L215 PolarHBondContact O-N 3.39Å; L212-L215 VanDerWaalsContact O-N 3.08Å; G213-L215 VanDerWaalsContact C-N 3.28Å; G213-L215 PolarHBondContact O-N 3.03Å; L215-L342 HydrophobicContact CD2-CD1 4.17Å; L215-V343 HydrophobicContact CD1-CG2 4.4Å
216	G	98.8	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-87.9	-25.4	176.7	0	0	0	0	0	114.7	R211 L212 G213 V214 Y229 G230	R211-G216 VanDerWaalsContact CB-CA 3.47Å; R211-G216 WeakPolarHBondContact O-CA 3.1Å; L212-G216 PolarHBondContact O-N 2.92Å; G213-G216 PolarHBondContact O-N 3.3Å; V214-G216 PolarHBondContact O-N 3.5Å; G216-Y229 CarbonylContact O-C 3.45Å; G216-Y229 WeakPolarHBondContact O-CA 3.48Å; G216-Y229 VanDerWaalsContact O-CB 3.28Å; G216-Y229 WeakPolarHBondContact O-CB 3.44Å; G216-Y229 WeakPolarHBondContact O-CD2 3.46Å; G216-Y229 PolarHBondContact O-N 2.86Å; G216-G230 PolarHBondContact O-N 3.32Å
217	F	98.9	Very high	98.6	Very high	2 Å²	2	19 Å²	19	1%	0.009	11%	0.111	C	C	.	.	H	α-helix	trans	-145.9	8.5	-159.8	-58.1	-78.3	0	0	0	115.9	Y184 Y210 R211 G213 S219 L231 F356 G357 P358	Y184-F217 HydrophobicContact CD1-CZ 4.27Å; Y210-F217 HydrophobicContact CD2-CZ 4.42Å; Y210-F217 HydrophobicContact CE2-CE2 4.24Å; Y210-F217 HydrophobicContact CE2-CZ 4.1Å; R211-F217 WeakPolarHBondContact O-CE2 3.38Å; G213-F217 WeakPolarHBondContact O-CB 3.44Å; G213-F217 PolarHBondContact O-N 3.44Å; F217-S219 PolarHBondContact O-N 3.45Å; F217-L231 HydrophobicContact CE1-CG 4.34Å; F217-F356 HydrophobicContact CB-CB 4.22Å; F217-G357 VanDerWaalsContact CB-N 3.27Å; F217-G357 WeakPolarHBondContact CB-O 3.41Å; F217-G357 VanDerWaalsContact CG-CA 3.42Å; F217-P358 HydrophobicContact CE1-CG 4.05Å
218	L	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.			trans	-61.2	128.2	168.8	179.3	140.7	0	0	0	110.4	F95 V214 A225 G227 Y229 A313 L316 L334 F356	F95-L218 HydrophobicContact CD1-CB 4.08Å; F95-L218 HydrophobicContact CD1-CD2 4.24Å; F95-L218 HydrophobicContact CE1-CB 3.87Å; F95-L218 HydrophobicContact CE1-CD1 4.42Å; F95-L218 HydrophobicContact CE1-CD2 4.3Å; F95-L218 HydrophobicContact CE1-CG 4.41Å; F95-L218 HydrophobicContact CG-CD2 4.46Å; F95-L218 HydrophobicContact CZ-CD1 4.44Å; V214-L218 HydrophobicContact CG1-CB 4.31Å; V214-L218 HydrophobicContact CG1-CD1 4.06Å; V214-L218 WeakPolarHBondContact O-CB 3.43Å; V214-L218 PolarHBondContact O-N 3.14Å; L218-A225 HydrophobicContact CD2-CB 3.84Å; L218-G227 WeakPolarHBondContact O-CA 3.29Å; L218-Y229 WeakPolarHBondContact O-CE2 3.21Å; L218-A313 HydrophobicContact CD1-CB 4.26Å; L218-A313 HydrophobicContact CG-CB 4.14Å; L218-L316 HydrophobicContact CD1-CD2 3.65Å; L218-L334 HydrophobicContact CD1-CD1 3.62Å; L218-L334 HydrophobicContact CD2-CD1 4.42Å; L218-F356 HydrophobicContact CB-CD1 4.43Å; L218-F356 HydrophobicContact CB-CE1 4.47Å; L218-F356 HydrophobicContact CD1-CE1 4.41Å
219	S	98.8	Very high	98.6	Very high	5 Å²	5	19.2 Å²	19.2	4%	0.035	11%	0.112	C	C	.	.			trans	-136.9	138.8	174.7	170	0	0	0	0	110.8	F217 G221 A225 K226 P309 A313	F217-S219 PolarHBondContact O-N 3.45Å; S219-G221 VanDerWaalsContact C-N 3.32Å; S219-G221 PolarHBondContact OG-N 2.89Å; S219-A225 CarbonylContact C-O 3.54Å; S219-A225 WeakPolarHBondContact CA-O 3.48Å; S219-A225 PolarHBondContact OG-O 3.44Å; S219-K226 WeakPolarHBondContact CB-O 3.38Å; S219-K226 PolarHBondContact OG-O 3.24Å; S219-P309 CarbonylContact O-C 3.47Å; S219-A313 VanDerWaalsContact O-CB 3.32Å; S219-A313 WeakPolarHBondContact O-CB 3.27Å
220	T	98.7	Very high	98.6	Very high	12 Å²	12	19.1 Å²	19.1	7%	0.074	11%	0.112	C	C	.	.			trans	-84.4	-8	174.7	44.2	0	0	0	0	112.7	D222 A224 A225 A310 T327 L330 V331	T220-D222 WeakPolarHBondContact CB-OD1 3.42Å; T220-D222 PolarHBondContact OG1-OD1 2.71Å; T220-A224 HydrophobicContact CG2-CB 4.38Å; T220-A225 HydrophobicContact CG2-CB 4.29Å; T220-A225 PolarHBondContact N-O 2.81Å; T220-A225 PolarHBondContact OG1-N 3.06Å; T220-A225 PolarHBondContact OG1-O 3.49Å; T220-A310 WeakPolarHBondContact O-CB 3.48Å; T220-T327 HydrophobicContact CG2-CG2 4.07Å; T220-L330 HydrophobicContact CG2-CD2 4.41Å; T220-V331 HydrophobicContact CG2-CG2 3.77Å
221	G	97.8	Very high	98.6	Very high	59 Å²	59	19.1 Å²	19.1	61%	0.608	11%	0.112	S	C	*	.	S	Bend	trans	71.9	14.8	-169.2	0	0	0	0	0	113.5	S219	S219-G221 VanDerWaalsContact C-N 3.32Å; S219-G221 PolarHBondContact OG-N 2.89Å
222	D	98.1	Very high	98.6	Very high	59 Å²	59	19.9 Å²	19.9	32%	0.316	12%	0.116	S	C	.	.	S	Bend	trans	-144.6	-165.4	176.9	66.7	26.8	0	0	0	110.6	T220 A224 T327	T220-D222 WeakPolarHBondContact CB-OD1 3.42Å; T220-D222 PolarHBondContact OG1-OD1 2.71Å; D222-A224 VanDerWaalsContact C-N 3.33Å; D222-A224 PolarHBondContact O-N 3.26Å; D222-A224 VanDerWaalsContact OD1-CB 3.29Å; D222-A224 WeakPolarHBondContact OD1-CB 3.43Å; D222-A224 PolarHBondContact OD1-N 3.08Å; D222-T327 VanDerWaalsContact OD2-CB 3.27Å; D222-T327 WeakPolarHBondContact OD2-CB 3.33Å; D222-T327 VanDerWaalsContact OD2-CG2 3.3Å; D222-T327 WeakPolarHBondContact OD2-CG2 3.14Å; D222-T327 PolarHBondContact OD2-OG1 3.38Å
223	Q	98.1	Very high	98.6	Very high	151 Å²	151	19.7 Å²	19.7	71%	0.706	12%	0.115	S	C	*	.	S	Bend	trans	-78.6	-7.7	-176	-58.9	-58.8	-69.4	0	0	114.7	K226	Q223-K226 VanDerWaalsContact OE1-CE 3.27Å
224	A	98.3	Very high	98.7	Very high	16 Å²	16	19.7 Å²	19.7	13%	0.132	11%	0.114	C	C	.	.	S	Bend	trans	-71.8	-41.5	-178.7	0	0	0	0	0	112.3	T220 D222 T327 V328 V331	T220-A224 HydrophobicContact CG2-CB 4.38Å; D222-A224 VanDerWaalsContact C-N 3.33Å; D222-A224 PolarHBondContact O-N 3.26Å; D222-A224 VanDerWaalsContact OD1-CB 3.29Å; D222-A224 WeakPolarHBondContact OD1-CB 3.43Å; D222-A224 PolarHBondContact OD1-N 3.08Å; A224-T327 VanDerWaalsContact CB-C 3.45Å; A224-T327 WeakPolarHBondContact CB-O 3.48Å; A224-V328 HydrophobicContact CB-CB 4.49Å; A224-V328 HydrophobicContact CB-CG2 3.87Å; A224-V331 HydrophobicContact CB-CG2 4.09Å
225	A	98.6	Very high	98.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	11%	0.113	C	C	.	.			trans	-143.7	106.5	165.6	0	0	0	0	0	108.9	L218 S219 T220 G227 Y229 V331	L218-A225 HydrophobicContact CD2-CB 3.84Å; S219-A225 CarbonylContact C-O 3.54Å; S219-A225 WeakPolarHBondContact CA-O 3.48Å; S219-A225 PolarHBondContact OG-O 3.44Å; T220-A225 HydrophobicContact CG2-CB 4.29Å; T220-A225 PolarHBondContact N-O 2.81Å; T220-A225 PolarHBondContact OG1-N 3.06Å; T220-A225 PolarHBondContact OG1-O 3.49Å; A225-G227 PolarHBondContact O-N 3.04Å; A225-Y229 VanDerWaalsContact CA-OH 3.27Å; A225-Y229 WeakPolarHBondContact CA-OH 3.13Å; A225-Y229 WeakPolarHBondContact CB-OH 3.35Å; A225-V331 HydrophobicContact CB-CG1 4.43Å; A225-V331 HydrophobicContact CB-CG2 3.69Å
226	K	98.4	Very high	98.6	Very high	67 Å²	67	20.6 Å²	20.6	29%	0.291	12%	0.118	S	C	.	.			trans	-65.3	-37.3	180	-66.4	-165.7	-178	-164.1	0	112.7	S219 Q223 Y229 V359 D363	S219-K226 WeakPolarHBondContact CB-O 3.38Å; S219-K226 PolarHBondContact OG-O 3.24Å; Q223-K226 VanDerWaalsContact OE1-CE 3.27Å; K226-Y229 PolarHBondContact N-OH 3.11Å; K226-V359 WeakPolarHBondContact O-CG2 3.34Å; K226-D363 IonicContact NZ-OD2 3.42Å; K226-D363 PolarHBondContact NZ-OD2 2.77Å
227	G	98.6	Very high	98.6	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.021	12%	0.119	C	C	.	.			trans	99.6	-156.2	-168.8	0	0	0	0	0	112.6	L218 A225 Y229	L218-G227 WeakPolarHBondContact O-CA 3.29Å; A225-G227 PolarHBondContact O-N 3.04Å; G227-Y229 PolarHBondContact N-OH 3.33Å; G227-Y229 WeakPolarHBondContact O-CD1 3.47Å; G227-Y229 WeakPolarHBondContact O-CE1 3.17Å; G227-Y229 PolarHBondContact O-N 3.4Å
228	N	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.			trans	54.8	14.5	174.8	-66.7	-24.2	0	0	0	116.9	G230 L231 L232 P358 V359 D361 V364	N228-G230 VanDerWaalsContact C-N 3.29Å; N228-G230 PolarHBondContact O-N 2.67Å; N228-L231 HydrophobicContact CB-CD1 4.47Å; N228-L231 WeakPolarHBondContact O-CB 3.34Å; N228-L231 PolarHBondContact O-N 2.89Å; N228-L232 PolarHBondContact O-N 3.01Å; N228-P358 WeakPolarHBondContact OD1-CA 3.06Å; N228-V359 PolarHBondContact ND2-O 2.82Å; N228-V359 PolarHBondContact OD1-N 3.26Å; N228-V359 PolarHBondContact OD1-O 3.01Å; N228-D361 PolarHBondContact ND2-OD1 3.25Å; N228-D361 PolarHBondContact ND2-OD2 3.27Å; N228-D361 VanDerWaalsContact ND2-OD2 3.07Å; N228-V364 HydrophobicContact CB-CB 4.07Å; N228-V364 HydrophobicContact CB-CG1 4.18Å; N228-V364 HydrophobicContact CB-CG2 4.21Å
229	Y	98.9	Very high	98.5	Very high	7 Å²	7	24 Å²	24	3%	0.027	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-37.7	-179.7	-45.3	-66	0	0	0	112.8	F95 Q96 G216 L218 A225 K226 G227 L231 L232 D233	F95-Y229 HydrophobicContact CB-CE2 3.82Å; F95-Y229 HydrophobicContact CD1-CE2 4.24Å; F95-Y229 WeakPolarHBondContact O-CE1 3.42Å; F95-Y229 PolarHBondContact O-OH 3.25Å; Q96-Y229 WeakPolarHBondContact O-CD1 3.48Å; G216-Y229 CarbonylContact O-C 3.45Å; G216-Y229 WeakPolarHBondContact O-CA 3.48Å; G216-Y229 VanDerWaalsContact O-CB 3.28Å; G216-Y229 WeakPolarHBondContact O-CB 3.44Å; G216-Y229 WeakPolarHBondContact O-CD2 3.46Å; G216-Y229 PolarHBondContact O-N 2.86Å; L218-Y229 WeakPolarHBondContact O-CE2 3.21Å; A225-Y229 VanDerWaalsContact CA-OH 3.27Å; A225-Y229 WeakPolarHBondContact CA-OH 3.13Å; A225-Y229 WeakPolarHBondContact CB-OH 3.35Å; K226-Y229 PolarHBondContact N-OH 3.11Å; G227-Y229 PolarHBondContact N-OH 3.33Å; G227-Y229 WeakPolarHBondContact O-CD1 3.47Å; G227-Y229 WeakPolarHBondContact O-CE1 3.17Å; G227-Y229 PolarHBondContact O-N 3.4Å; Y229-L231 VanDerWaalsContact C-N 3.34Å; Y229-L231 PolarHBondContact O-N 3.05Å; Y229-L232 PolarHBondContact O-N 3.17Å; Y229-D233 WeakPolarHBondContact O-CB 3.01Å; Y229-D233 PolarHBondContact O-N 3.03Å
230	G	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-29.9	173.8	0	0	0	0	0	114	G216 N228 L234	G216-G230 PolarHBondContact O-N 3.32Å; N228-G230 VanDerWaalsContact C-N 3.29Å; N228-G230 PolarHBondContact O-N 2.67Å; G230-L234 WeakPolarHBondContact O-CD1 3.38Å; G230-L234 WeakPolarHBondContact O-CG 3.44Å; G230-L234 PolarHBondContact O-N 3.31Å
231	L	98.9	Very high	98.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-75.2	-40.9	171.4	-63.5	-177.9	0	0	0	111.2	F217 N228 Y229 D233 L234 I235 C266 L269 P358 V364 I365	F217-L231 HydrophobicContact CE1-CG 4.34Å; N228-L231 HydrophobicContact CB-CD1 4.47Å; N228-L231 WeakPolarHBondContact O-CB 3.34Å; N228-L231 PolarHBondContact O-N 2.89Å; Y229-L231 VanDerWaalsContact C-N 3.34Å; Y229-L231 PolarHBondContact O-N 3.05Å; L231-D233 VanDerWaalsContact C-N 3.28Å; L231-D233 PolarHBondContact O-N 3.24Å; L231-L234 HydrophobicContact CD2-CD1 4.41Å; L231-L234 WeakPolarHBondContact O-CB 3.45Å; L231-L234 PolarHBondContact O-N 2.92Å; L231-L234 VanDerWaalsContact O-N 3.12Å; L231-I235 WeakPolarHBondContact O-CD1 3.39Å; L231-I235 WeakPolarHBondContact O-CG1 3.22Å; L231-I235 PolarHBondContact O-N 3.09Å; L231-C266 HydrophobicContact CD2-CB 4.42Å; L231-L269 HydrophobicContact CD1-CB 4.39Å; L231-P358 HydrophobicContact CD1-CB 4.13Å; L231-P358 HydrophobicContact CD1-CG 4.28Å; L231-P358 HydrophobicContact CD2-CG 4.44Å; L231-P358 HydrophobicContact CG-CG 4.48Å; L231-V364 HydrophobicContact CB-CG1 4.29Å; L231-V364 HydrophobicContact CD1-CG1 4.4Å; L231-I365 HydrophobicContact CD1-CD1 4.1Å; L231-I365 HydrophobicContact CD1-CG1 4.13Å
232	L	98.9	Very high	98.2	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.105	10%	0.104	C	C	.	.	H	α-helix	trans	-62.7	-35.2	174.7	-70.1	168.4	0	0	0	112.1	P97 P98 N228 Y229 I235 Q236 Y275 V364	P97-L232 HydrophobicContact CB-CD1 4.11Å; P97-L232 HydrophobicContact CG-CD1 4.09Å; P98-L232 HydrophobicContact CG-CB 4.24Å; P98-L232 WeakPolarHBondContact CG-O 3.27Å; N228-L232 PolarHBondContact O-N 3.01Å; Y229-L232 PolarHBondContact O-N 3.17Å; L232-I235 HydrophobicContact CD2-CD1 4.2Å; L232-I235 PolarHBondContact O-N 2.73Å; L232-Q236 WeakPolarHBondContact O-CB 3.4Å; L232-Q236 PolarHBondContact O-N 2.86Å; L232-Y275 HydrophobicContact CD2-CD1 4.23Å; L232-Y275 HydrophobicContact CD2-CE1 4.22Å; L232-V364 HydrophobicContact CD1-CG2 4.15Å; L232-V364 HydrophobicContact CD2-CG2 3.72Å; L232-V364 HydrophobicContact CG-CG2 3.94Å
233	D	98.9	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-44	170.9	-73.2	-14.4	0	0	0	111.6	Y85 P98 L154 R211 Y229 L231 Q236 A237	Y85-D233 WeakPolarHBondContact CE2-O 3.45Å; Y85-D233 PolarHBondContact OH-O 2.98Å; P98-D233 WeakPolarHBondContact CB-OD1 3.29Å; P98-D233 WeakPolarHBondContact CG-OD1 3.43Å; L154-D233 HydrophobicContact CD2-CB 4.28Å; L154-D233 WeakPolarHBondContact CD2-OD2 3.49Å; R211-D233 WeakPolarHBondContact CB-OD2 3.33Å; R211-D233 VanDerWaalsContact CG-OD2 3.29Å; R211-D233 WeakPolarHBondContact CG-OD2 3.43Å; R211-D233 IonicContact CZ-OD1 3.13Å; R211-D233 IonicContact CZ-OD2 3.76Å; R211-D233 PolarHBondContact N-OD2 3.4Å; R211-D233 IonicContact NE-OD1 2.73Å; R211-D233 PolarHBondContact NE-OD1 3.05Å; R211-D233 IonicContact NE-OD2 3.3Å; R211-D233 PolarHBondContact NE-OD2 3.23Å; R211-D233 IonicContact NH2-OD1 2.66Å; R211-D233 PolarHBondContact NH2-OD1 3.2Å; R211-D233 IonicContact NH2-OD2 2.68Å; Y229-D233 WeakPolarHBondContact O-CB 3.01Å; Y229-D233 PolarHBondContact O-N 3.03Å; L231-D233 VanDerWaalsContact C-N 3.28Å; L231-D233 PolarHBondContact O-N 3.24Å; D233-Q236 PolarHBondContact O-N 2.98Å; D233-A237 PolarHBondContact O-N 2.86Å
234	L	98.9	Very high	98	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-67.5	-41.5	176.2	-68	164.6	0	0	0	111.8	I179 V208 Y210 G230 L231 Q236 A237 L238 C266 L270	I179-L234 HydrophobicContact CB-CD2 4.47Å; I179-L234 HydrophobicContact CD1-CD1 4.18Å; I179-L234 HydrophobicContact CD1-CD2 3.98Å; I179-L234 HydrophobicContact CD1-CG 4.49Å; I179-L234 HydrophobicContact CG1-CD2 3.93Å; I179-L234 HydrophobicContact CG2-CD1 3.87Å; I179-L234 HydrophobicContact CG2-CD2 3.91Å; V208-L234 HydrophobicContact CB-CD2 4.25Å; V208-L234 HydrophobicContact CG1-CD2 4.02Å; Y210-L234 HydrophobicContact CD1-CD1 4.17Å; Y210-L234 HydrophobicContact CD1-CD2 3.69Å; Y210-L234 HydrophobicContact CD1-CG 4.08Å; Y210-L234 HydrophobicContact CD2-CD1 4.26Å; Y210-L234 HydrophobicContact CD2-CG 4.5Å; Y210-L234 HydrophobicContact CE1-CD1 4.41Å; Y210-L234 HydrophobicContact CE1-CD2 4.4Å; Y210-L234 HydrophobicContact CG-CD1 4.09Å; Y210-L234 HydrophobicContact CG-CD2 4.02Å; Y210-L234 HydrophobicContact CG-CG 3.93Å; G230-L234 WeakPolarHBondContact O-CD1 3.38Å; G230-L234 WeakPolarHBondContact O-CG 3.44Å; G230-L234 PolarHBondContact O-N 3.31Å; L231-L234 HydrophobicContact CD2-CD1 4.41Å; L231-L234 WeakPolarHBondContact O-CB 3.45Å; L231-L234 PolarHBondContact O-N 2.92Å; L231-L234 VanDerWaalsContact O-N 3.12Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.38Å; L234-A237 PolarHBondContact O-N 2.91Å; L234-L238 WeakPolarHBondContact O-CG 3.49Å; L234-L238 PolarHBondContact O-N 3.05Å; L234-C266 HydrophobicContact CD1-CB 4.12Å; L234-L270 HydrophobicContact CB-CD1 4.21Å
235	I	98.4	Very high	97.9	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-58.6	-44.1	172.5	-70.1	155.8	0	0	0	110.6	L231 L232 L238 R239 L270 Y275 L288 V364	L231-I235 WeakPolarHBondContact O-CD1 3.39Å; L231-I235 WeakPolarHBondContact O-CG1 3.22Å; L231-I235 PolarHBondContact O-N 3.09Å; L232-I235 HydrophobicContact CD2-CD1 4.2Å; L232-I235 PolarHBondContact O-N 2.73Å; I235-L238 PolarHBondContact O-N 3.35Å; I235-R239 WeakPolarHBondContact O-CG 3.46Å; I235-R239 PolarHBondContact O-N 3.18Å; I235-L270 HydrophobicContact CD1-CD2 4.08Å; I235-L270 HydrophobicContact CG1-CD2 3.55Å; I235-Y275 HydrophobicContact CD1-CG 4.36Å; I235-L288 HydrophobicContact CG2-CD1 4.12Å; I235-V364 HydrophobicContact CD1-CG1 4.26Å
236	Q	98.6	Very high	97.8	Very high	25 Å²	25	16 Å²	16	12%	0.117	9%	0.087	C	C	.	.	H	α-helix	trans	-69.1	-34.1	178.7	176.7	49.6	29.1	0	0	112.4	Y85 A86 P98 L232 D233 L234 R239 W240	Y85-Q236 HydrophobicContact CD2-CB 4.48Å; Y85-Q236 HydrophobicContact CD2-CG 4.08Å; Y85-Q236 HydrophobicContact CE2-CB 4.32Å; Y85-Q236 HydrophobicContact CE2-CG 4.27Å; Y85-Q236 PolarHBondContact O-NE2 2.99Å; A86-Q236 HydrophobicContact CB-CG 3.98Å; P98-Q236 HydrophobicContact CB-CB 4.27Å; P98-Q236 HydrophobicContact CB-CG 4.21Å; P98-Q236 HydrophobicContact CG-CB 3.67Å; P98-Q236 HydrophobicContact CG-CG 4.12Å; L232-Q236 WeakPolarHBondContact O-CB 3.4Å; L232-Q236 PolarHBondContact O-N 2.86Å; D233-Q236 PolarHBondContact O-N 2.98Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 3.38Å; Q236-R239 PolarHBondContact O-N 3.49Å; Q236-W240 WeakPolarHBondContact O-CB 3.33Å; Q236-W240 PolarHBondContact O-N 3.19Å
237	A	98.8	Very high	97.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-64.8	-38.5	170.2	0	0	0	0	0	112.3	Y85 L156 V208 D233 L234 T241	Y85-A237 HydrophobicContact CD1-CB 4.23Å; Y85-A237 VanDerWaalsContact CD2-CA 3.45Å; Y85-A237 HydrophobicContact CD2-CB 3.7Å; Y85-A237 HydrophobicContact CE1-CB 4.19Å; Y85-A237 HydrophobicContact CE2-CB 3.69Å; Y85-A237 HydrophobicContact CG-CB 3.99Å; L156-A237 HydrophobicContact CD2-CB 4.28Å; V208-A237 HydrophobicContact CB-CB 4.46Å; V208-A237 HydrophobicContact CG1-CB 3.61Å; V208-A237 HydrophobicContact CG2-CB 3.93Å; D233-A237 PolarHBondContact O-N 2.86Å; L234-A237 PolarHBondContact O-N 2.91Å; A237-T241 WeakPolarHBondContact O-CB 3.33Å; A237-T241 PolarHBondContact O-N 3.11Å; A237-T241 PolarHBondContact O-OG1 2.96Å
238	L	98.3	Very high	97.5	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-68.8	-40.1	175.1	-69.5	167.4	0	0	0	112	V177 L234 I235 T241 S242 I255 V257 L270 L288 F289	V177-L238 HydrophobicContact CB-CD2 4.29Å; V177-L238 HydrophobicContact CG1-CD2 4.13Å; V177-L238 HydrophobicContact CG2-CD2 4.2Å; L234-L238 WeakPolarHBondContact O-CG 3.49Å; L234-L238 PolarHBondContact O-N 3.05Å; I235-L238 PolarHBondContact O-N 3.35Å; L238-T241 PolarHBondContact O-N 3.4Å; L238-S242 WeakPolarHBondContact O-CB 3.35Å; L238-S242 PolarHBondContact O-N 3.03Å; L238-I255 HydrophobicContact CD2-CG2 4.29Å; L238-V257 HydrophobicContact CD1-CG2 4.32Å; L238-V257 HydrophobicContact CD2-CG2 3.74Å; L238-L270 HydrophobicContact CD1-CD1 4.2Å; L238-L288 HydrophobicContact CB-CB 4.31Å; L238-L288 HydrophobicContact CB-CD1 4.29Å; L238-F289 HydrophobicContact CD1-CD1 4Å; L238-F289 HydrophobicContact CD1-CE1 4.33Å
239	R	96.6	Very high	97.2	Very high	71 Å²	71	18.7 Å²	18.7	27%	0.268	10%	0.104	S	C	.	.	H	α-helix	trans	-60.7	-49.3	170.9	-70.6	-175.6	-165.1	-63.6	-5.7	111.5	I235 Q236 T241 S242 E243 Y275 L288	I235-R239 WeakPolarHBondContact O-CG 3.46Å; I235-R239 PolarHBondContact O-N 3.18Å; Q236-R239 PolarHBondContact O-N 3.49Å; R239-T241 VanDerWaalsContact C-N 3.28Å; R239-T241 PolarHBondContact O-N 3.43Å; R239-S242 PolarHBondContact O-N 3.37Å; R239-E243 WeakPolarHBondContact O-CG 3.31Å; R239-E243 PolarHBondContact O-N 2.88Å; R239-Y275 PolarHBondContact NH2-O 2.89Å; R239-L288 HydrophobicContact CG-CD1 3.7Å; R239-L288 HydrophobicContact CG-CD2 3.8Å; R239-L288 HydrophobicContact CG-CG 4.43Å
240	W	97.9	Very high	97.1	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-56.5	-44.3	175.5	-174.7	101.5	0	0	0	111.5	T57 F59 V83 L156 I158 Q236 E243 N244 F248	T57-W240 HydrophobicContact CG2-CZ2 4.21Å; F59-W240 AromaticContact CD2-NE1 3.62Å; F59-W240 AromaticContact CE2-CD1 3.55Å; F59-W240 AromaticContact CE2-NE1 3.63Å; V83-W240 HydrophobicContact CG1-CH2 3.78Å; V83-W240 HydrophobicContact CG1-CZ2 3.54Å; L156-W240 HydrophobicContact CD1-CE3 4.33Å; L156-W240 HydrophobicContact CD1-CH2 4.44Å; L156-W240 HydrophobicContact CD1-CZ3 3.98Å; L156-W240 HydrophobicContact CD2-CD2 4.41Å; L156-W240 HydrophobicContact CD2-CE3 3.86Å; L156-W240 HydrophobicContact CD2-CZ3 4.33Å; I158-W240 HydrophobicContact CD1-CH2 3.81Å; I158-W240 HydrophobicContact CD1-CZ3 3.85Å; Q236-W240 WeakPolarHBondContact O-CB 3.33Å; Q236-W240 PolarHBondContact O-N 3.19Å; W240-E243 PolarHBondContact O-N 3.46Å; W240-N244 HydrophobicContact CD2-CB 4.24Å; W240-N244 HydrophobicContact CE3-CB 4.22Å; W240-N244 HydrophobicContact CH2-CB 3.96Å; W240-N244 HydrophobicContact CZ2-CB 4.01Å; W240-N244 HydrophobicContact CZ3-CB 4.08Å; W240-N244 WeakPolarHBondContact O-CB 3.36Å; W240-N244 PolarHBondContact O-N 3.49Å; W240-N244 PolarHBondContact O-ND2 3.09Å; W240-F248 AromaticContact CH2-CE2 3.82Å; W240-F248 HydrophobicContact CH2-CE2 3.82Å; W240-F248 HydrophobicContact CH2-CZ 4.14Å
241	T	97.9	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-51.8	178	-61.1	0	0	0	0	110.9	V175 V177 I206 A237 L238 R239 E243 N244 I245 I255	V175-T241 HydrophobicContact CG1-CG2 4.11Å; V177-T241 HydrophobicContact CG2-CG2 4.34Å; I206-T241 HydrophobicContact CD1-CG2 3.57Å; A237-T241 WeakPolarHBondContact O-CB 3.33Å; A237-T241 PolarHBondContact O-N 3.11Å; A237-T241 PolarHBondContact O-OG1 2.96Å; L238-T241 PolarHBondContact O-N 3.4Å; R239-T241 VanDerWaalsContact C-N 3.28Å; R239-T241 PolarHBondContact O-N 3.43Å; T241-E243 PolarHBondContact O-N 3Å; T241-N244 PolarHBondContact O-N 2.95Å; T241-I245 HydrophobicContact CG2-CB 3.98Å; T241-I245 HydrophobicContact CG2-CG1 4.27Å; T241-I245 HydrophobicContact CG2-CG2 4.21Å; T241-I245 WeakPolarHBondContact O-CB 3.43Å; T241-I245 VanDerWaalsContact O-CG2 3.25Å; T241-I245 WeakPolarHBondContact O-CG2 3.09Å; T241-I245 PolarHBondContact O-N 3.01Å; T241-I255 HydrophobicContact CG2-CD1 4.01Å
242	S	93.5	Very high	96.6	Very high	17 Å²	17	20.6 Å²	20.6	12%	0.119	12%	0.116	C	C	.	.	H	α-helix	trans	-58.1	-30.9	178	-177.4	0	0	0	0	113.1	L238 R239 P252	L238-S242 WeakPolarHBondContact O-CB 3.35Å; L238-S242 PolarHBondContact O-N 3.03Å; R239-S242 PolarHBondContact O-N 3.37Å; S242-P252 WeakPolarHBondContact O-CB 3.49Å
243	E	94.3	Very high	96.3	Very high	65 Å²	65	23.2 Å²	23.2	30%	0.304	13%	0.13	S	C	.	.	H	α-helix	trans	-89	-20.8	-179.5	-70.4	-173.3	-147.8	0	0	114.9	N58 R239 W240 T241 R280	N58-E243 PolarHBondContact ND2-O 3.06Å; R239-E243 WeakPolarHBondContact O-CG 3.31Å; R239-E243 PolarHBondContact O-N 2.88Å; W240-E243 PolarHBondContact O-N 3.46Å; T241-E243 PolarHBondContact O-N 3Å; E243-R280 VanDerWaalsContact CD-CZ 3.45Å; E243-R280 IonicContact OE1-CZ 2.8Å; E243-R280 VanDerWaalsContact OE1-CZ 3.26Å; E243-R280 IonicContact OE1-NH1 3.61Å; E243-R280 PolarHBondContact OE1-NH1 3.39Å; E243-R280 IonicContact OE1-NH2 2.7Å; E243-R280 PolarHBondContact OE1-NH2 2.86Å; E243-R280 IonicContact OE2-CZ 2.71Å; E243-R280 IonicContact OE2-NH1 2.79Å; E243-R280 PolarHBondContact OE2-NH1 3.08Å; E243-R280 IonicContact OE2-NH2 3.67Å; E243-R280 PolarHBondContact OE2-NH2 3.47Å
244	N	96.9	Very high	96.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-123.9	-19.5	-171.3	-65.2	-88.7	0	0	0	115.1	T57 N58 W240 T241 G246 F247 F248	T57-N244 WeakPolarHBondContact CB-OD1 3.36Å; N58-N244 WeakPolarHBondContact CB-OD1 3.49Å; N58-N244 PolarHBondContact N-OD1 2.95Å; N58-N244 PolarHBondContact ND2-OD1 3.04Å; W240-N244 HydrophobicContact CD2-CB 4.24Å; W240-N244 HydrophobicContact CE3-CB 4.22Å; W240-N244 HydrophobicContact CH2-CB 3.96Å; W240-N244 HydrophobicContact CZ2-CB 4.01Å; W240-N244 HydrophobicContact CZ3-CB 4.08Å; W240-N244 WeakPolarHBondContact O-CB 3.36Å; W240-N244 PolarHBondContact O-N 3.49Å; W240-N244 PolarHBondContact O-ND2 3.09Å; T241-N244 PolarHBondContact O-N 2.95Å; N244-G246 PolarHBondContact O-N 3.43Å; N244-G246 VanDerWaalsContact O-N 3.14Å; N244-F247 HydrophobicContact CB-CD2 4.15Å; N244-F247 HydrophobicContact CB-CE2 4.48Å; N244-F247 WeakPolarHBondContact O-CB 3.16Å; N244-F247 WeakPolarHBondContact O-CD2 3.32Å; N244-F247 PolarHBondContact O-N 3.43Å; N244-F248 WeakPolarHBondContact O-CD2 3.4Å
245	I	97.3	Very high	96.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-67.6	-21.7	-168.9	-154.4	60.4	0	0	0	113.6	I158 V175 I204 I206 T241 F247 F248 G249 G250 P252	I158-I245 HydrophobicContact CD1-CD1 4.39Å; I158-I245 HydrophobicContact CG2-CD1 4.16Å; V175-I245 HydrophobicContact CG1-CG1 4.15Å; V175-I245 HydrophobicContact CG2-CG1 3.8Å; V175-I245 HydrophobicContact CG2-CG2 3.99Å; I204-I245 HydrophobicContact CD1-CG1 4.47Å; I204-I245 HydrophobicContact CG2-CD1 4.15Å; I206-I245 HydrophobicContact CD1-CD1 3.66Å; I206-I245 HydrophobicContact CD1-CG1 4.28Å; I206-I245 HydrophobicContact CG1-CD1 4.48Å; T241-I245 HydrophobicContact CG2-CB 3.98Å; T241-I245 HydrophobicContact CG2-CG1 4.27Å; T241-I245 HydrophobicContact CG2-CG2 4.21Å; T241-I245 WeakPolarHBondContact O-CB 3.43Å; T241-I245 VanDerWaalsContact O-CG2 3.25Å; T241-I245 WeakPolarHBondContact O-CG2 3.09Å; T241-I245 PolarHBondContact O-N 3.01Å; I245-F247 PolarHBondContact O-N 2.87Å; I245-F248 HydrophobicContact CD1-CB 4.16Å; I245-F248 HydrophobicContact CD1-CD2 4.1Å; I245-F248 HydrophobicContact CD1-CG 4.31Å; I245-F248 PolarHBondContact O-N 3.47Å; I245-G249 PolarHBondContact O-N 3.34Å; I245-G250 WeakPolarHBondContact O-CA 3.22Å; I245-G250 PolarHBondContact O-N 2.91Å; I245-P252 HydrophobicContact CG2-CB 4.4Å
246	G	94.9	Very high	96.1	Very high	48 Å²	48	25.6 Å²	25.6	50%	0.495	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-58.1	-30.8	170.3	0	0	0	0	0	113.9	N244 F248 G249 G250	N244-G246 PolarHBondContact O-N 3.43Å; N244-G246 VanDerWaalsContact O-N 3.14Å; G246-F248 PolarHBondContact O-N 2.86Å; G246-G249 PolarHBondContact O-N 3.47Å; G246-G249 VanDerWaalsContact O-N 3.13Å; G246-G250 WeakPolarHBondContact CA-O 3.31Å
247	F	95.4	Very high	96.2	Very high	101 Å²	101	24.4 Å²	24.4	44%	0.443	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-71	-17.3	175.5	-53.9	-58.8	0	0	0	113.3	V55 T56 N58 N244 I245	V55-F247 HydrophobicContact CG1-CB 3.66Å; V55-F247 WeakPolarHBondContact CG1-O 3.48Å; T56-F247 WeakPolarHBondContact O-CB 3.36Å; T56-F247 WeakPolarHBondContact O-CG 3.34Å; N58-F247 WeakPolarHBondContact OD1-CE2 3.26Å; N58-F247 WeakPolarHBondContact OD1-CZ 3.31Å; N244-F247 HydrophobicContact CB-CD2 4.15Å; N244-F247 HydrophobicContact CB-CE2 4.48Å; N244-F247 WeakPolarHBondContact O-CB 3.16Å; N244-F247 WeakPolarHBondContact O-CD2 3.32Å; N244-F247 PolarHBondContact O-N 3.43Å; I245-F247 PolarHBondContact O-N 2.87Å
248	F	95.7	Very high	96.2	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.018	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-98.5	6	174.2	-59	-96.5	0	0	0	112	V55 T57 F80 I158 V160 I204 W240 N244 I245 G246	V55-F248 HydrophobicContact CB-CD1 4.25Å; V55-F248 HydrophobicContact CB-CE1 3.87Å; V55-F248 HydrophobicContact CB-CZ 4.15Å; V55-F248 HydrophobicContact CG1-CD1 4.05Å; V55-F248 HydrophobicContact CG1-CD2 4.08Å; V55-F248 HydrophobicContact CG1-CE1 3.79Å; V55-F248 HydrophobicContact CG1-CE2 3.84Å; V55-F248 HydrophobicContact CG1-CG 4.18Å; V55-F248 HydrophobicContact CG1-CZ 3.68Å; V55-F248 HydrophobicContact CG2-CD1 3.83Å; V55-F248 HydrophobicContact CG2-CE1 3.89Å; V55-F248 HydrophobicContact CG2-CG 4.48Å; T57-F248 HydrophobicContact CG2-CE2 3.97Å; T57-F248 HydrophobicContact CG2-CZ 3.94Å; F80-F248 HydrophobicContact CB-CE1 4.4Å; F80-F248 AromaticContact CD1-CE1 3.94Å; F80-F248 HydrophobicContact CD1-CE1 3.94Å; F80-F248 AromaticContact CD2-CD1 3.81Å; F80-F248 HydrophobicContact CD2-CD1 3.81Å; F80-F248 AromaticContact CD2-CE1 3.7Å; F80-F248 HydrophobicContact CD2-CE1 3.7Å; F80-F248 HydrophobicContact CE1-CE1 4.08Å; F80-F248 AromaticContact CE2-CD1 3.72Å; F80-F248 HydrophobicContact CE2-CD1 3.72Å; F80-F248 AromaticContact CE2-CE1 3.85Å; F80-F248 HydrophobicContact CE2-CE1 3.85Å; F80-F248 HydrophobicContact CG-CD1 4.35Å; F80-F248 AromaticContact CG-CE1 3.76Å; F80-F248 HydrophobicContact CG-CE1 3.76Å; F80-F248 HydrophobicContact CZ-CD1 4.18Å; F80-F248 HydrophobicContact CZ-CE1 4.05Å; I158-F248 HydrophobicContact CD1-CD1 4.14Å; I158-F248 HydrophobicContact CD1-CD2 4.27Å; I158-F248 HydrophobicContact CD1-CE1 3.78Å; I158-F248 HydrophobicContact CD1-CE2 3.92Å; I158-F248 HydrophobicContact CD1-CG 4.38Å; I158-F248 HydrophobicContact CD1-CZ 3.66Å; I158-F248 HydrophobicContact CG2-CD1 4.46Å; V160-F248 HydrophobicContact CG2-CB 4.21Å; V160-F248 HydrophobicContact CG2-CD1 4.41Å; I204-F248 HydrophobicContact CD1-CB 4.21Å; I204-F248 WeakPolarHBondContact CD1-O 3.36Å; W240-F248 AromaticContact CH2-CE2 3.82Å; W240-F248 HydrophobicContact CH2-CE2 3.82Å; W240-F248 HydrophobicContact CH2-CZ 4.14Å; N244-F248 WeakPolarHBondContact O-CD2 3.4Å; I245-F248 HydrophobicContact CD1-CB 4.16Å; I245-F248 HydrophobicContact CD1-CD2 4.1Å; I245-F248 HydrophobicContact CD1-CG 4.31Å; I245-F248 PolarHBondContact O-N 3.47Å; G246-F248 PolarHBondContact O-N 2.86Å
249	G	93.8	Very high	96.2	Very high	20 Å²	20	24.3 Å²	24.3	21%	0.206	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	14.4	-175.5	0	0	0	0	0	114.8	P172 K173 I245 G246	P172-G249 CarbonylContact C-O 3.59Å; P172-G249 WeakPolarHBondContact CA-O 3.45Å; K173-G249 PolarHBondContact N-O 3.4Å; I245-G249 PolarHBondContact O-N 3.34Å; G246-G249 PolarHBondContact O-N 3.47Å; G246-G249 VanDerWaalsContact O-N 3.13Å
250	G	95.8	Very high	96.3	Very high	2 Å²	2	21 Å²	21	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	157.8	178.8	0	0	0	0	0	114.5	K173 I245 G246 P252	K173-G250 CarbonylContact O-C 3.08Å; K173-G250 WeakPolarHBondContact O-CA 3.44Å; I245-G250 WeakPolarHBondContact O-CA 3.22Å; I245-G250 PolarHBondContact O-N 2.91Å; G246-G250 WeakPolarHBondContact CA-O 3.31Å; G250-P252 WeakPolarHBondContact O-CD 3.25Å
251	D	94.7	Very high	96.3	Very high	24 Å²	24	21.1 Å²	21.1	13%	0.128	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	109.4	178.2	-167	-15.9	0	0	0	112	P172 K173 L253 R254	P172-D251 HydrophobicContact CB-CB 3.77Å; K173-D251 PolarHBondContact O-N 2.85Å; D251-L253 PolarHBondContact O-N 2.73Å; D251-L253 VanDerWaalsContact O-N 3.16Å; D251-L253 WeakPolarHBondContact OD1-CA 3.38Å; D251-L253 WeakPolarHBondContact OD1-CB 3.48Å; D251-L253 PolarHBondContact OD1-N 2.71Å; D251-R254 HydrophobicContact CB-CB 4.23Å; D251-R254 CarbonylContact O-C 3.49Å; D251-R254 PolarHBondContact O-N 2.81Å; D251-R254 VanDerWaalsContact O-N 3.11Å; D251-R254 IonicContact OD2-CZ 3.39Å; D251-R254 IonicContact OD2-NE 2.68Å; D251-R254 PolarHBondContact OD2-NE 3.1Å; D251-R254 IonicContact OD2-NH2 3.28Å; D251-R254 PolarHBondContact OD2-NH2 3.08Å
252	P	93.6	Very high	96.3	Very high	22 Å²	22	21.5 Å²	21.5	14%	0.143	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-7.2	176.5	30.5	-35.7	0	0	0	113.8	S242 I245 G250 I255 Q290	S242-P252 WeakPolarHBondContact O-CB 3.49Å; I245-P252 HydrophobicContact CG2-CB 4.4Å; G250-P252 WeakPolarHBondContact O-CD 3.25Å; P252-I255 HydrophobicContact CB-CD1 4.46Å; P252-Q290 PolarHBondContact O-NE2 2.88Å
253	L	93.1	Very high	96.6	Very high	75 Å²	75	20.7 Å²	20.7	39%	0.393	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	2.4	174.1	-55.1	177.8	0	0	0	113.2	D251 Q290	D251-L253 PolarHBondContact O-N 2.73Å; D251-L253 VanDerWaalsContact O-N 3.16Å; D251-L253 WeakPolarHBondContact OD1-CA 3.38Å; D251-L253 WeakPolarHBondContact OD1-CB 3.48Å; D251-L253 PolarHBondContact OD1-N 2.71Å; L253-Q290 PolarHBondContact O-OE1 2.95Å
254	R	95.4	Very high	96.8	Very high	55 Å²	55	17.6 Å²	17.6	21%	0.208	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	49.4	171.1	-72.3	179.6	-74	150.8	5.8	111.4	P172 P174 V175 D251 K548	P172-R254 PolarHBondContact O-NH2 3.4Å; P174-R254 HydrophobicContact CB-CB 4.33Å; V175-R254 PolarHBondContact N-O 3.43Å; D251-R254 HydrophobicContact CB-CB 4.23Å; D251-R254 CarbonylContact O-C 3.49Å; D251-R254 PolarHBondContact O-N 2.81Å; D251-R254 VanDerWaalsContact O-N 3.11Å; D251-R254 IonicContact OD2-CZ 3.39Å; D251-R254 IonicContact OD2-NE 2.68Å; D251-R254 PolarHBondContact OD2-NE 3.1Å; D251-R254 IonicContact OD2-NH2 3.28Å; D251-R254 PolarHBondContact OD2-NH2 3.08Å; R254-K548 VanDerWaalsContact CD-O 3.28Å; R254-K548 WeakPolarHBondContact CD-O 3.05Å
255	I	97.8	Very high	96.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.3	168.3	-62.1	170.8	0	0	0	108.9	V175 V177 L238 T241 P252 L288 F289 Q290 R291	V175-I255 HydrophobicContact CB-CG1 4.14Å; V175-I255 WeakPolarHBondContact O-CA 3.49Å; V177-I255 HydrophobicContact CG2-CG2 3.96Å; L238-I255 HydrophobicContact CD2-CG2 4.29Å; T241-I255 HydrophobicContact CG2-CD1 4.01Å; P252-I255 HydrophobicContact CB-CD1 4.46Å; I255-L288 WeakPolarHBondContact CD1-O 3.4Å; I255-F289 HydrophobicContact CB-CB 4.15Å; I255-F289 HydrophobicContact CG2-CB 3.71Å; I255-Q290 PolarHBondContact O-N 2.57Å; I255-Q290 PolarHBondContact O-OE1 3Å; I255-R291 PolarHBondContact O-N 3.2Å
256	T	98.8	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.1	174.7	-57.6	0	0	0	0	108.4	V175 M176 V177 R291 I293 F546 A547	V175-T256 PolarHBondContact O-N 2.81Å; M176-T256 CarbonylContact C-O 3.55Å; M176-T256 WeakPolarHBondContact CA-O 3.35Å; V177-T256 PolarHBondContact N-O 2.88Å; T256-R291 WeakPolarHBondContact CA-O 3.25Å; T256-R291 HydrophobicContact CG2-CB 3.92Å; T256-I293 HydrophobicContact CG2-CD1 4.14Å; T256-I293 HydrophobicContact CG2-CG1 3.99Å; T256-F546 HydrophobicContact CG2-CD1 4.39Å; T256-F546 HydrophobicContact CG2-CE1 4.43Å; T256-A547 HydrophobicContact CG2-CB 4.26Å; T256-A547 WeakPolarHBondContact OG1-CA 3.19Å
257	V	98.9	Very high	97.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.2	178.4	-164	0	0	0	0	108.8	V177 I179 L238 V267 F289 R291 A292 I293	V177-V257 WeakPolarHBondContact O-CA 3.45Å; I179-V257 HydrophobicContact CD1-CG1 3.4Å; I179-V257 HydrophobicContact CG1-CG1 3.82Å; L238-V257 HydrophobicContact CD1-CG2 4.32Å; L238-V257 HydrophobicContact CD2-CG2 3.74Å; V257-V267 HydrophobicContact CG1-CG2 3.96Å; V257-F289 HydrophobicContact CB-CD2 4.48Å; V257-F289 HydrophobicContact CG2-CB 3.57Å; V257-F289 HydrophobicContact CG2-CD1 3.81Å; V257-F289 HydrophobicContact CG2-CD2 3.7Å; V257-F289 HydrophobicContact CG2-CE1 4.4Å; V257-F289 HydrophobicContact CG2-CE2 4.3Å; V257-F289 HydrophobicContact CG2-CG 3.42Å; V257-F289 VanDerWaalsContact CG2-CG 3.42Å; V257-R291 PolarHBondContact N-O 3.3Å; V257-A292 CarbonylContact O-C 3.32Å; V257-A292 VanDerWaalsContact O-CA 3.3Å; V257-A292 WeakPolarHBondContact O-CA 3.33Å; V257-I293 PolarHBondContact O-N 3.04Å
258	F	98.9	Very high	97.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.4	179.6	72.6	-58	0	0	0	112.9	M176 V177 Y178 I179 L197 I293 V512	M176-F258 HydrophobicContact CB-CD1 4.18Å; M176-F258 HydrophobicContact CB-CE1 3.69Å; M176-F258 HydrophobicContact CB-CZ 4.42Å; M176-F258 HydrophobicContact CE-CD1 4.21Å; M176-F258 HydrophobicContact CE-CD2 4.37Å; M176-F258 HydrophobicContact CE-CE1 4.17Å; M176-F258 HydrophobicContact CE-CE2 4.32Å; M176-F258 HydrophobicContact CE-CG 4.33Å; M176-F258 HydrophobicContact CE-CZ 4.23Å; V177-F258 WeakPolarHBondContact O-CD1 3.33Å; V177-F258 PolarHBondContact O-N 3.15Å; Y178-F258 CarbonylContact C-O 3.44Å; Y178-F258 VanDerWaalsContact CA-O 3.31Å; Y178-F258 WeakPolarHBondContact CA-O 3.39Å; Y178-F258 HydrophobicContact CD2-CD1 4.09Å; Y178-F258 AromaticContact CD2-CD2 3.63Å; Y178-F258 HydrophobicContact CD2-CD2 3.63Å; Y178-F258 AromaticContact CD2-CE1 3.96Å; Y178-F258 HydrophobicContact CD2-CE1 3.96Å; Y178-F258 AromaticContact CD2-CE2 3.5Å; Y178-F258 HydrophobicContact CD2-CE2 3.5Å; Y178-F258 AromaticContact CD2-CG 3.92Å; Y178-F258 HydrophobicContact CD2-CG 3.92Å; Y178-F258 AromaticContact CD2-CZ 3.67Å; Y178-F258 HydrophobicContact CD2-CZ 3.67Å; Y178-F258 WeakPolarHBondContact CD2-O 3.42Å; Y178-F258 HydrophobicContact CE2-CD2 4.15Å; Y178-F258 HydrophobicContact CE2-CE2 4.15Å; Y178-F258 HydrophobicContact CG-CE1 4.26Å; Y178-F258 HydrophobicContact CG-CE2 4.38Å; Y178-F258 HydrophobicContact CG-CZ 4.12Å; I179-F258 PolarHBondContact N-O 2.86Å; L197-F258 HydrophobicContact CD2-CE2 4.15Å; L197-F258 HydrophobicContact CD2-CZ 3.77Å; F258-I293 VanDerWaalsContact CA-O 3.25Å; F258-I293 WeakPolarHBondContact CA-O 3.48Å; F258-I293 HydrophobicContact CB-CB 3.68Å; F258-I293 HydrophobicContact CB-CD1 4.36Å; F258-I293 HydrophobicContact CB-CG1 4.23Å; F258-V512 HydrophobicContact CD2-CG1 4.33Å; F258-V512 HydrophobicContact CE2-CG1 3.87Å
259	G	98.8	Very high	97.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	156.6	-177.7	0	0	0	0	0	113	I179 G264 I293 Q295	I179-G259 WeakPolarHBondContact O-CA 3.46Å; G259-G264 WeakPolarHBondContact O-CA 3.42Å; G259-I293 PolarHBondContact N-O 2.83Å; G259-Q295 WeakPolarHBondContact O-CB 3.48Å; G259-Q295 PolarHBondContact O-N 2.83Å
260	S	98.7	Very high	97.6	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.021	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.3	178.9	-179.4	0	0	0	0	112.2	G181 A262 G263 Q295 E508	G181-S260 WeakPolarHBondContact CA-O 3.41Å; S260-A262 PolarHBondContact O-N 3.34Å; S260-G263 WeakPolarHBondContact O-CA 3.42Å; S260-G263 PolarHBondContact O-N 2.76Å; S260-Q295 CarbonylContact C-O 3.58Å; S260-Q295 VanDerWaalsContact CA-O 3.29Å; S260-Q295 WeakPolarHBondContact CA-O 3Å; S260-E508 PolarHBondContact OG-OE1 2.89Å
261	G	98.3	Very high	97.6	Very high	6 Å²	6	9.9 Å²	9.9	6%	0.062	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-128.3	178.4	0	0	0	0	0	111.8	G263 G264 S265 Q295 S296	G261-G263 PolarHBondContact O-N 3.16Å; G261-G263 VanDerWaalsContact O-N 3.11Å; G261-G264 WeakPolarHBondContact O-CA 3.41Å; G261-G264 PolarHBondContact O-N 2.03Å; G261-S265 PolarHBondContact O-N 2.86Å; G261-Q295 PolarHBondContact N-O 2.83Å; G261-S296 WeakPolarHBondContact CA-O 3.37Å
262	A	98.4	Very high	97.7	Very high	8 Å²	8	9.1 Å²	9.1	7%	0.066	5%	0.048	C	C	.	.	H	α-helix	trans	-56.9	-23.5	172	0	0	0	0	0	113.7	G182 Y184 S260 S265 C266	G182-A262 WeakPolarHBondContact O-CB 3.31Å; Y184-A262 HydrophobicContact CD1-CB 3.99Å; Y184-A262 HydrophobicContact CE1-CB 3.85Å; Y184-A262 HydrophobicContact CE2-CB 4.44Å; Y184-A262 HydrophobicContact CG-CB 4.35Å; S260-A262 PolarHBondContact O-N 3.34Å; A262-S265 WeakPolarHBondContact O-CB 3.39Å; A262-S265 PolarHBondContact O-N 2.98Å; A262-C266 PolarHBondContact O-N 3.11Å
263	G	98.8	Very high	97.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-69.2	-36.9	170.7	0	0	0	0	0	112.2	H180 S260 G261 C266 V267	H180-G263 WeakPolarHBondContact O-CA 3.46Å; S260-G263 WeakPolarHBondContact O-CA 3.42Å; S260-G263 PolarHBondContact O-N 2.76Å; G261-G263 PolarHBondContact O-N 3.16Å; G261-G263 VanDerWaalsContact O-N 3.11Å; G263-C266 WeakPolarHBondContact O-CB 3.47Å; G263-C266 PolarHBondContact O-N 2.73Å; G263-V267 VanDerWaalsContact O-CG2 3.32Å; G263-V267 WeakPolarHBondContact O-CG2 3.31Å; G263-V267 PolarHBondContact O-N 2.71Å
264	G	98.7	Very high	97.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.5	-37.6	169.7	0	0	0	0	0	112.2	G259 G261 V267 N268 G297	G259-G264 WeakPolarHBondContact O-CA 3.42Å; G261-G264 WeakPolarHBondContact O-CA 3.41Å; G261-G264 PolarHBondContact O-N 2.03Å; G264-V267 WeakPolarHBondContact O-CB 3.33Å; G264-V267 PolarHBondContact O-N 3.28Å; G264-N268 PolarHBondContact O-N 3.2Å; G264-N268 VanDerWaalsContact O-N 3.09Å; G264-N268 PolarHBondContact O-ND2 3.21Å; G264-G297 CarbonylContact C-O 3.51Å
265	S	98.9	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.9	-47	170.2	-61	0	0	0	0	112.1	Y184 G261 A262 V267 N268 L269 T298	Y184-S265 WeakPolarHBondContact OH-CB 3.4Å; G261-S265 PolarHBondContact O-N 2.86Å; A262-S265 WeakPolarHBondContact O-CB 3.39Å; A262-S265 PolarHBondContact O-N 2.98Å; S265-V267 VanDerWaalsContact C-N 3.33Å; S265-V267 PolarHBondContact O-N 2.95Å; S265-N268 PolarHBondContact O-N 3.02Å; S265-L269 WeakPolarHBondContact O-CG 3.35Å; S265-L269 PolarHBondContact O-N 3.26Å; S265-T298 VanDerWaalsContact CB-O 3.26Å; S265-T298 WeakPolarHBondContact CB-O 3.44Å; S265-T298 PolarHBondContact OG-O 2.78Å
266	C	98.9	Very high	97.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-54.6	-45.6	171.3	-80.2	0	0	0	0	112.3	I179 L231 L234 A262 G263 N268 L269 L270	I179-C266 HydrophobicContact CG2-CB 3.84Å; L231-C266 HydrophobicContact CD2-CB 4.42Å; L234-C266 HydrophobicContact CD1-CB 4.12Å; A262-C266 PolarHBondContact O-N 3.11Å; G263-C266 WeakPolarHBondContact O-CB 3.47Å; G263-C266 PolarHBondContact O-N 2.73Å; C266-N268 VanDerWaalsContact C-N 3.34Å; C266-N268 PolarHBondContact O-N 3.03Å; C266-L269 PolarHBondContact O-N 3.28Å; C266-L270 WeakPolarHBondContact O-CB 3.48Å; C266-L270 VanDerWaalsContact O-CG 3.23Å; C266-L270 WeakPolarHBondContact O-CG 3.19Å; C266-L270 PolarHBondContact O-N 3.03Å
267	V	98.8	Very high	96.5	Very high	2 Å²	2	15 Å²	15	1%	0.012	7%	0.072	C	C	.	.	H	α-helix	trans	-57.3	-44.9	177.5	166.1	0	0	0	0	111.8	I179 V257 G263 G264 S265 L270 T271 A292 A294	I179-V267 HydrophobicContact CD1-CG2 4.15Å; V257-V267 HydrophobicContact CG1-CG2 3.96Å; G263-V267 VanDerWaalsContact O-CG2 3.32Å; G263-V267 WeakPolarHBondContact O-CG2 3.31Å; G263-V267 PolarHBondContact O-N 2.71Å; G264-V267 WeakPolarHBondContact O-CB 3.33Å; G264-V267 PolarHBondContact O-N 3.28Å; S265-V267 VanDerWaalsContact C-N 3.33Å; S265-V267 PolarHBondContact O-N 2.95Å; V267-L270 PolarHBondContact O-N 2.84Å; V267-T271 PolarHBondContact O-N 3.18Å; V267-A292 HydrophobicContact CG1-CB 3.53Å; V267-A294 HydrophobicContact CG1-CB 4.4Å
268	N	98.4	Very high	94.7	Very high	3 Å²	3	17 Å²	17	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-67.5	-44.2	177	-76.7	-93.2	0	0	0	112.3	G264 S265 C266 L270 T271 L272 A294 G297 A299 M373 T472	G264-N268 PolarHBondContact O-N 3.2Å; G264-N268 VanDerWaalsContact O-N 3.09Å; G264-N268 PolarHBondContact O-ND2 3.21Å; S265-N268 PolarHBondContact O-N 3.02Å; C266-N268 VanDerWaalsContact C-N 3.34Å; C266-N268 PolarHBondContact O-N 3.03Å; N268-L270 PolarHBondContact O-N 3.29Å; N268-T271 PolarHBondContact O-N 2.86Å; N268-T271 PolarHBondContact O-OG1 3.39Å; N268-L272 PolarHBondContact O-N 2.69Å; N268-A294 WeakPolarHBondContact ND2-CB 3.39Å; N268-G297 PolarHBondContact ND2-O 2.98Å; N268-A299 HydrophobicContact CB-CB 3.87Å; N268-M373 HydrophobicContact CB-CE 4.43Å; N268-T472 WeakPolarHBondContact OD1-CG2 3.37Å
269	L	98.6	Very high	92.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-34.6	177.7	-70.6	165.5	0	0	0	111.8	L231 S265 C266 L272 S273 A299 V305 P358 I365 P369	L231-L269 HydrophobicContact CD1-CB 4.39Å; S265-L269 WeakPolarHBondContact O-CG 3.35Å; S265-L269 PolarHBondContact O-N 3.26Å; C266-L269 PolarHBondContact O-N 3.28Å; L269-L272 PolarHBondContact O-N 2.81Å; L269-S273 PolarHBondContact O-N 2.9Å; L269-A299 HydrophobicContact CD2-CB 3.78Å; L269-A299 HydrophobicContact CG-CB 3.93Å; L269-V305 HydrophobicContact CD2-CG2 4.39Å; L269-P358 HydrophobicContact CD1-CB 3.61Å; L269-P358 HydrophobicContact CD1-CG 3.5Å; L269-I365 HydrophobicContact CB-CD1 4.05Å; L269-I365 HydrophobicContact CD2-CD1 3.87Å; L269-I365 HydrophobicContact CD2-CG1 4.48Å; L269-P369 HydrophobicContact CD2-CG 3.86Å
270	L	98.2	Very high	90.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-30.7	172.1	-70.4	169.6	0	0	0	112.9	I179 L234 I235 L238 C266 V267 N268 L272 S276 F289	I179-L270 HydrophobicContact CD1-CD1 3.5Å; I179-L270 VanDerWaalsContact CD1-CD1 3.5Å; L234-L270 HydrophobicContact CB-CD1 4.21Å; I235-L270 HydrophobicContact CD1-CD2 4.08Å; I235-L270 HydrophobicContact CG1-CD2 3.55Å; L238-L270 HydrophobicContact CD1-CD1 4.2Å; C266-L270 WeakPolarHBondContact O-CB 3.48Å; C266-L270 VanDerWaalsContact O-CG 3.23Å; C266-L270 WeakPolarHBondContact O-CG 3.19Å; C266-L270 PolarHBondContact O-N 3.03Å; V267-L270 PolarHBondContact O-N 2.84Å; N268-L270 PolarHBondContact O-N 3.29Å; L270-L272 VanDerWaalsContact C-N 3.3Å; L270-S276 VanDerWaalsContact O-CB 3.23Å; L270-S276 WeakPolarHBondContact O-CB 3.34Å; L270-S276 PolarHBondContact O-OG 3.46Å; L270-F289 HydrophobicContact CB-CE1 4.22Å; L270-F289 HydrophobicContact CB-CZ 4.22Å
271	T	96.1	Very high	88.1	Confident	7 Å²	7	35.9 Å²	35.9	4%	0.043	17%	0.165	C	C	.	.	H	α-helix	trans	-70.6	-25.9	173.5	55.8	0	0	0	0	113.7	V267 N268 F289 A292 F378 Y381 I383	V267-T271 PolarHBondContact O-N 3.18Å; N268-T271 PolarHBondContact O-N 2.86Å; N268-T271 PolarHBondContact O-OG1 3.39Å; T271-F289 HydrophobicContact CG2-CE2 3.85Å; T271-F289 HydrophobicContact CG2-CZ 3.88Å; T271-A292 HydrophobicContact CG2-CB 4.08Å; T271-F378 WeakPolarHBondContact O-CB 3.29Å; T271-Y381 HydrophobicContact CG2-CD2 3.55Å; T271-Y381 HydrophobicContact CG2-CE2 3.61Å; T271-Y381 HydrophobicContact CG2-CG 4.26Å; T271-I383 HydrophobicContact CG2-CD1 4.32Å
272	L	95.9	Very high	85.5	Confident	7 Å²	7	38 Å²	38	4%	0.037	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-4	179.2	-61	167.8	0	0	0	113.5	N268 L269 L270 A299 P369 L372 M373 F378	N268-L272 PolarHBondContact O-N 2.69Å; L269-L272 PolarHBondContact O-N 2.81Å; L270-L272 VanDerWaalsContact C-N 3.3Å; L272-A299 HydrophobicContact CD1-CB 4.11Å; L272-P369 HydrophobicContact CD1-CB 3.8Å; L272-L372 HydrophobicContact CB-CD1 4.12Å; L272-L372 HydrophobicContact CD2-CB 3.86Å; L272-M373 HydrophobicContact CD1-CE 3.95Å; L272-M373 HydrophobicContact CD1-CG 4.26Å; L272-M373 HydrophobicContact CD2-CG 3.77Å; L272-F378 HydrophobicContact CD2-CB 4.12Å; L272-F378 HydrophobicContact CD2-CD1 4.09Å
273	S	95.6	Very high	83	Confident	5 Å²	5	46.5 Å²	46.5	4%	0.035	22%	0.223	C	C	.	.			trans	-94.3	123.9	-177.5	-171.9	0	0	0	0	111.5	L269 Y275 S276 V364	L269-S273 PolarHBondContact O-N 2.9Å; S273-Y275 PolarHBondContact O-N 2.94Å; S273-Y275 VanDerWaalsContact O-N 3.1Å; S273-Y275 PolarHBondContact OG-N 3.24Å; S273-S276 WeakPolarHBondContact O-CB 3.45Å; S273-S276 PolarHBondContact O-N 3.45Å; S273-V364 VanDerWaalsContact CB-O 3.24Å; S273-V364 WeakPolarHBondContact CB-O 3.2Å; S273-V364 PolarHBondContact OG-O 3.21Å
274	H	92.1	Very high	80.6	Confident	94 Å²	94	49 Å²	49	44%	0.435	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-60.5	-21.2	174.7	86.5	-94.3	0	0	0	112.7	S276 E277 D363	H274-S276 PolarHBondContact O-N 2.69Å; H274-E277 VanDerWaalsContact O-CB 3.31Å; H274-E277 WeakPolarHBondContact O-CB 3.37Å; H274-E277 WeakPolarHBondContact O-CG 3.49Å; H274-E277 PolarHBondContact O-N 3.44Å; H274-E277 VanDerWaalsContact O-N 3.09Å; H274-D363 PolarHBondContact CE1-O 3.18Å; H274-D363 IonicContact CE1-OD1 2.68Å; H274-D363 PolarHBondContact ND1-O 2.83Å
275	Y	92.9	Very high	78.2	Confident	69 Å²	69	55.5 Å²	55.5	27%	0.271	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19.5	172.6	-80.7	-97	0	0	0	113.5	L232 I235 R239 S273 E277 D363 V364	L232-Y275 HydrophobicContact CD2-CD1 4.23Å; L232-Y275 HydrophobicContact CD2-CE1 4.22Å; I235-Y275 HydrophobicContact CD1-CG 4.36Å; R239-Y275 PolarHBondContact NH2-O 2.89Å; S273-Y275 PolarHBondContact O-N 2.94Å; S273-Y275 VanDerWaalsContact O-N 3.1Å; S273-Y275 PolarHBondContact OG-N 3.24Å; Y275-E277 PolarHBondContact O-N 3.06Å; Y275-D363 PolarHBondContact OH-OD1 2.86Å; Y275-V364 HydrophobicContact CD2-CB 4.45Å; Y275-V364 HydrophobicContact CD2-CG2 4.17Å; Y275-V364 HydrophobicContact CE2-CG2 3.91Å
276	S	90.8	Very high	76.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-76.6	-9.2	172.9	-65.1	0	0	0	0	113.1	L270 S273 H274 G287 L288	L270-S276 VanDerWaalsContact O-CB 3.23Å; L270-S276 WeakPolarHBondContact O-CB 3.34Å; L270-S276 PolarHBondContact O-OG 3.46Å; S273-S276 WeakPolarHBondContact O-CB 3.45Å; S273-S276 PolarHBondContact O-N 3.45Å; H274-S276 PolarHBondContact O-N 2.69Å; S276-G287 CarbonylContact O-C 3.59Å; S276-G287 WeakPolarHBondContact O-CA 3.28Å; S276-L288 PolarHBondContact O-N 3.32Å
277	E	80.9	Confident	75	Confident	108 Å²	108	61.2 Å²	61.2	51%	0.505	31%	0.306	S	S	.	.			trans	-74.1	153.5	175.9	-58.3	-163.5	174.8	0	0	113.2	H274 Y275 L379	H274-E277 VanDerWaalsContact O-CB 3.31Å; H274-E277 WeakPolarHBondContact O-CB 3.37Å; H274-E277 WeakPolarHBondContact O-CG 3.49Å; H274-E277 PolarHBondContact O-N 3.44Å; H274-E277 VanDerWaalsContact O-N 3.09Å; Y275-E277 PolarHBondContact O-N 3.06Å; E277-L379 HydrophobicContact CG-CD1 4.17Å; E277-L379 HydrophobicContact CG-CD2 4.13Å; E277-L379 HydrophobicContact CG-CG 4.28Å
278	G	62.5	Low	74.6	Confident	42 Å²	42	61.3 Å²	61.3	43%	0.433	31%	0.306	S	S	.	.			trans	75.6	115.1	170.8	0	0	0	0	0	115.1	L288	G278-L288 WeakPolarHBondContact O-CD2 3.33Å
279	N	57.3	Low	74.4	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.059	31%	0.305	C	S	.	.			trans	-107.1	141.7	164.5	69.1	85.8	0	0	0	110.4	W281 S282 K286	N279-W281 PolarHBondContact O-N 3.33Å; N279-W281 VanDerWaalsContact O-N 3.16Å; N279-W281 PolarHBondContact OD1-N 2.89Å; N279-S282 VanDerWaalsContact OD1-CB 3.27Å; N279-S282 WeakPolarHBondContact OD1-CB 3.48Å; N279-S282 PolarHBondContact OD1-N 3.39Å; N279-S282 VanDerWaalsContact OD1-N 3.08Å; N279-K286 PolarHBondContact ND2-O 3.12Å
280	R	50.7	Low	74.2	Confident	194 Å²	194	62.4 Å²	62.4	73%	0.732	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.6	-178.5	-164.1	-172.9	-67.9	139.9	9.5	113.1	E243	E243-R280 VanDerWaalsContact CD-CZ 3.45Å; E243-R280 IonicContact OE1-CZ 2.8Å; E243-R280 VanDerWaalsContact OE1-CZ 3.26Å; E243-R280 IonicContact OE1-NH1 3.61Å; E243-R280 PolarHBondContact OE1-NH1 3.39Å; E243-R280 IonicContact OE1-NH2 2.7Å; E243-R280 PolarHBondContact OE1-NH2 2.86Å; E243-R280 IonicContact OE2-CZ 2.71Å; E243-R280 IonicContact OE2-NH1 2.79Å; E243-R280 PolarHBondContact OE2-NH1 3.08Å; E243-R280 IonicContact OE2-NH2 3.67Å; E243-R280 PolarHBondContact OE2-NH2 3.47Å
281	W	49.5	Very low	74.2	Confident	196 Å²	196	63.3 Å²	63.3	74%	0.742	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.4	-173	-164.8	-121.1	0	0	0	114	N279	N279-W281 PolarHBondContact O-N 3.33Å; N279-W281 VanDerWaalsContact O-N 3.16Å; N279-W281 PolarHBondContact OD1-N 2.89Å
282	S	44.6	Very low	74.3	Confident	50 Å²	50	63 Å²	63	35%	0.35	31%	0.313	S	S	.	.			trans	-146.4	135.5	-176	-147.2	0	0	0	0	113.5	N279 S284	N279-S282 VanDerWaalsContact OD1-CB 3.27Å; N279-S282 WeakPolarHBondContact OD1-CB 3.48Å; N279-S282 PolarHBondContact OD1-N 3.39Å; N279-S282 VanDerWaalsContact OD1-N 3.08Å; S282-S284 PolarHBondContact O-N 3.26Å; S282-S284 WeakPolarHBondContact OG-CB 3.47Å
283	N	45.2	Very low	74.5	Confident	187 Å²	187	62.7 Å²	62.7	100%	1	31%	0.311	S	S	*	.	S	Bend	trans	-74.4	45.2	165.2	-69.3	-11.5	0	0	0	110.7
284	S	47	Very low	74.6	Confident	52 Å²	52	62.7 Å²	62.7	36%	0.364	31%	0.311	S	S	.	.	S	Bend	trans	-137.6	149	-162.1	-165.7	0	0	0	0	113	S282 K286	S282-S284 PolarHBondContact O-N 3.26Å; S282-S284 WeakPolarHBondContact OG-CB 3.47Å; S284-K286 PolarHBondContact O-N 3.44Å
285	T	49.5	Very low	74.9	Confident	137 Å²	137	58.2 Å²	58.2	84%	0.84	29%	0.29	S	S	*	.	S	Bend	trans	-70	53.8	177.9	55.5	0	0	0	0	112.3
286	K	59.7	Low	75.2	Confident	118 Å²	118	55 Å²	55	51%	0.513	28%	0.277	S	S	.	.			trans	-134	131.7	-177.8	-66.1	-168	174.5	-164.6	0	110.5	N279 S284	N279-K286 PolarHBondContact ND2-O 3.12Å; S284-K286 PolarHBondContact O-N 3.44Å
287	G	71.3	Confident	75.6	Confident	2 Å²	2	55.3 Å²	55.3	2%	0.021	28%	0.281	C	S	.	.			trans	-70.3	-177.2	-178.6	0	0	0	0	0	114.8	S276 F289 Q290	S276-G287 CarbonylContact O-C 3.59Å; S276-G287 WeakPolarHBondContact O-CA 3.28Å; G287-F289 CarbonylContact C-O 3.57Å; G287-F289 PolarHBondContact O-N 2.94Å; G287-Q290 PolarHBondContact O-NE2 2.86Å
288	L	89.8	Confident	76.4	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.259	C	S	.	.	S	Bend	trans	-59.2	-27	173.9	-66.3	176.9	0	0	0	113.1	I235 L238 R239 I255 S276 G278	I235-L288 HydrophobicContact CG2-CD1 4.12Å; L238-L288 HydrophobicContact CB-CB 4.31Å; L238-L288 HydrophobicContact CB-CD1 4.29Å; R239-L288 HydrophobicContact CG-CD1 3.7Å; R239-L288 HydrophobicContact CG-CD2 3.8Å; R239-L288 HydrophobicContact CG-CG 4.43Å; I255-L288 WeakPolarHBondContact CD1-O 3.4Å; S276-L288 PolarHBondContact O-N 3.32Å; G278-L288 WeakPolarHBondContact O-CD2 3.33Å
289	F	95.2	Very high	78.1	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	24%	0.24	C	C	.	.			trans	-131.1	170.4	171.2	62.3	-85.2	0	0	0	109.6	L238 I255 V257 L270 T271 G287 R291 Y381	L238-F289 HydrophobicContact CD1-CD1 4Å; L238-F289 HydrophobicContact CD1-CE1 4.33Å; I255-F289 HydrophobicContact CB-CB 4.15Å; I255-F289 HydrophobicContact CG2-CB 3.71Å; V257-F289 HydrophobicContact CB-CD2 4.48Å; V257-F289 HydrophobicContact CG2-CB 3.57Å; V257-F289 HydrophobicContact CG2-CD1 3.81Å; V257-F289 HydrophobicContact CG2-CD2 3.7Å; V257-F289 HydrophobicContact CG2-CE1 4.4Å; V257-F289 HydrophobicContact CG2-CE2 4.3Å; V257-F289 HydrophobicContact CG2-CG 3.42Å; V257-F289 VanDerWaalsContact CG2-CG 3.42Å; L270-F289 HydrophobicContact CB-CE1 4.22Å; L270-F289 HydrophobicContact CB-CZ 4.22Å; T271-F289 HydrophobicContact CG2-CE2 3.85Å; T271-F289 HydrophobicContact CG2-CZ 3.88Å; G287-F289 CarbonylContact C-O 3.57Å; G287-F289 PolarHBondContact O-N 2.94Å; F289-R291 WeakPolarHBondContact CD2-O 3.47Å; F289-Y381 AromaticContact CD2-CD1 3.92Å; F289-Y381 HydrophobicContact CD2-CD1 3.92Å; F289-Y381 AromaticContact CD2-CE1 3.72Å; F289-Y381 HydrophobicContact CD2-CE1 3.72Å; F289-Y381 HydrophobicContact CE1-CE1 4.39Å; F289-Y381 AromaticContact CE2-CD1 3.73Å; F289-Y381 HydrophobicContact CE2-CD1 3.73Å; F289-Y381 AromaticContact CE2-CE1 3.43Å; F289-Y381 HydrophobicContact CE2-CE1 3.43Å; F289-Y381 VanDerWaalsContact CE2-CE1 3.43Å; F289-Y381 HydrophobicContact CE2-CE2 4.36Å; F289-Y381 HydrophobicContact CE2-CG 4.3Å; F289-Y381 AromaticContact CE2-CZ 3.78Å; F289-Y381 HydrophobicContact CG-CE1 4.32Å; F289-Y381 AromaticContact CZ-CE1 3.81Å; F289-Y381 HydrophobicContact CZ-CE1 3.81Å; F289-Y381 HydrophobicContact CZ-CE2 4.38Å; F289-Y381 AromaticContact CZ-CZ 3.73Å
290	Q	93.9	Very high	80.1	Confident	26 Å²	26	49.8 Å²	49.8	12%	0.121	25%	0.246	C	C	.	.	S	Bend	trans	-120.9	-17.9	-174.8	-62	79.6	45.9	0	0	113	P252 L253 I255 G287 D382	P252-Q290 PolarHBondContact O-NE2 2.88Å; L253-Q290 PolarHBondContact O-OE1 2.95Å; I255-Q290 PolarHBondContact O-N 2.57Å; I255-Q290 PolarHBondContact O-OE1 3Å; G287-Q290 PolarHBondContact O-NE2 2.86Å; Q290-D382 PolarHBondContact O-N 3.36Å
291	R	97.6	Very high	82.3	Confident	20 Å²	20	41 Å²	41	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.5	-177.6	-46.8	-169.7	-177.2	95.7	-5.4	112.8	I255 T256 V257 F289 D382 F546 A547 T549 G550	I255-R291 PolarHBondContact O-N 3.2Å; T256-R291 WeakPolarHBondContact CA-O 3.25Å; T256-R291 HydrophobicContact CG2-CB 3.92Å; V257-R291 PolarHBondContact N-O 3.3Å; F289-R291 WeakPolarHBondContact CD2-O 3.47Å; R291-D382 CarbonylContact C-O 3.52Å; R291-D382 WeakPolarHBondContact CA-O 3.35Å; R291-D382 HydrophobicContact CB-CB 4.2Å; R291-D382 WeakPolarHBondContact CB-O 3.42Å; R291-D382 VanDerWaalsContact CD-OD2 3.24Å; R291-D382 WeakPolarHBondContact CD-OD2 3.49Å; R291-D382 HydrophobicContact CG-CB 3.78Å; R291-D382 WeakPolarHBondContact CG-OD2 3.43Å; R291-D382 IonicContact CZ-OD2 2.7Å; R291-D382 IonicContact NE-OD2 3.53Å; R291-D382 PolarHBondContact NE-OD2 3.29Å; R291-F546 HydrophobicContact CB-CE1 3.89Å; R291-F546 HydrophobicContact CB-CZ 4.24Å; R291-F546 WeakPolarHBondContact CD-O 3.47Å; R291-F546 PolarHBondContact NE-O 3.13Å; R291-A547 PolarHBondContact NH1-O 2.9Å; R291-T549 PolarHBondContact NH2-O 2.91Å; R291-T549 VanDerWaalsContact NH2-O 3.09Å; R291-G550 VanDerWaalsContact NE-CA 3.3Å
292	A	98.6	Very high	84.6	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.2	175.5	0	0	0	0	0	112.1	V257 V267 T271 D382 I383 M384 F546	V257-A292 CarbonylContact O-C 3.32Å; V257-A292 VanDerWaalsContact O-CA 3.3Å; V257-A292 WeakPolarHBondContact O-CA 3.33Å; V267-A292 HydrophobicContact CG1-CB 3.53Å; T271-A292 HydrophobicContact CG2-CB 4.08Å; A292-D382 PolarHBondContact N-O 3.16Å; A292-I383 HydrophobicContact CB-CD1 4.41Å; A292-I383 HydrophobicContact CB-CG1 4.12Å; A292-I383 WeakPolarHBondContact O-CA 3.44Å; A292-M384 PolarHBondContact O-N 3.49Å; A292-F546 WeakPolarHBondContact O-CE1 3.41Å
293	I	98.9	Very high	87.1	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.5	165.6	-44.6	177.2	0	0	0	109.2	M176 T256 V257 F258 G259 Q295 M384 W543 F546	M176-I293 HydrophobicContact CE-CD1 4.08Å; T256-I293 HydrophobicContact CG2-CD1 4.14Å; T256-I293 HydrophobicContact CG2-CG1 3.99Å; V257-I293 PolarHBondContact O-N 3.04Å; F258-I293 VanDerWaalsContact CA-O 3.25Å; F258-I293 WeakPolarHBondContact CA-O 3.48Å; F258-I293 HydrophobicContact CB-CB 3.68Å; F258-I293 HydrophobicContact CB-CD1 4.36Å; F258-I293 HydrophobicContact CB-CG1 4.23Å; G259-I293 PolarHBondContact N-O 2.83Å; I293-Q295 HydrophobicContact CG2-CG 4.28Å; I293-M384 CarbonylContact C-O 3.54Å; I293-M384 VanDerWaalsContact CA-O 3.23Å; I293-M384 WeakPolarHBondContact CA-O 3.45Å; I293-M384 HydrophobicContact CB-CB 4.49Å; I293-M384 HydrophobicContact CD1-SD 4.36Å; I293-M384 HydrophobicContact CG1-CB 4.25Å; I293-M384 HydrophobicContact CG2-CB 4.06Å; I293-M384 HydrophobicContact CG2-CG 4.02Å; I293-M384 HydrophobicContact CG2-SD 3.82Å; I293-W543 HydrophobicContact CD1-CB 4.42Å; I293-W543 HydrophobicContact CD1-CG 4.04Å; I293-F546 HydrophobicContact CD1-CD1 3.86Å; I293-F546 HydrophobicContact CD1-CE1 4.38Å; I293-F546 HydrophobicContact CG1-CD1 3.73Å; I293-F546 HydrophobicContact CG1-CE1 3.73Å
294	A	98.8	Very high	89.6	Confident	4 Å²	4	22 Å²	22	3%	0.033	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	103.7	-178.8	0	0	0	0	0	110.9	V267 N268 M384 L385 G386	V267-A294 HydrophobicContact CG1-CB 4.4Å; N268-A294 WeakPolarHBondContact ND2-CB 3.39Å; A294-M384 PolarHBondContact N-O 3.07Å; A294-L385 HydrophobicContact CB-CB 4.12Å; A294-L385 VanDerWaalsContact O-CA 3.27Å; A294-L385 WeakPolarHBondContact O-CA 3.28Å; A294-L385 WeakPolarHBondContact O-CB 3.37Å; A294-G386 PolarHBondContact O-N 3.42Å
295	Q	98.9	Very high	92	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.1	-179.7	-59.4	168.3	-154.9	0	0	109.1	G259 S260 G261 I293 G297 Y486 E508 W543	G259-Q295 WeakPolarHBondContact O-CB 3.48Å; G259-Q295 PolarHBondContact O-N 2.83Å; S260-Q295 CarbonylContact C-O 3.58Å; S260-Q295 VanDerWaalsContact CA-O 3.29Å; S260-Q295 WeakPolarHBondContact CA-O 3Å; G261-Q295 PolarHBondContact N-O 2.83Å; I293-Q295 HydrophobicContact CG2-CG 4.28Å; Q295-G297 PolarHBondContact O-N 3.48Å; Q295-Y486 WeakPolarHBondContact CA-OH 3.42Å; Q295-Y486 WeakPolarHBondContact CB-OH 3.43Å; Q295-Y486 WeakPolarHBondContact CG-OH 3.4Å; Q295-E508 WeakPolarHBondContact CB-OE1 3.45Å; Q295-E508 PolarHBondContact NE2-OE1 2.84Å; Q295-W543 HydrophobicContact CG-CZ2 4.41Å
296	S	98.6	Very high	94.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	50	39.4	170	-61.1	0	0	0	0	114.9	G261 G386 E391 W465 H505	G261-S296 WeakPolarHBondContact CA-O 3.37Å; S296-G386 PolarHBondContact N-O 3.11Å; S296-E391 WeakPolarHBondContact CB-OE1 3.49Å; S296-E391 PolarHBondContact OG-OE1 3.34Å; S296-E391 PolarHBondContact OG-OE2 3.18Å; S296-W465 PolarHBondContact O-NE1 3.3Å; S296-W465 VanDerWaalsContact O-NE1 3.09Å; S296-H505 PolarHBondContact O-CE1 2.94Å
297	G	98.3	Very high	96.2	Very high	8 Å²	8	13.4 Å²	13.4	8%	0.082	7%	0.07	C	C	.	.			trans	-173.8	139.6	178.7	0	0	0	0	0	112.9	G264 N268 Q295	G264-G297 CarbonylContact C-O 3.51Å; N268-G297 PolarHBondContact ND2-O 2.98Å; Q295-G297 PolarHBondContact O-N 3.48Å
298	T	98.7	Very high	97.4	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.037	9%	0.092	C	C	.	.			trans	-135.5	174.2	179.8	73.7	0	0	0	0	111.1	S265 L300 A304 P468 A469	S265-T298 VanDerWaalsContact CB-O 3.26Å; S265-T298 WeakPolarHBondContact CB-O 3.44Å; S265-T298 PolarHBondContact OG-O 2.78Å; T298-L300 PolarHBondContact O-N 2.88Å; T298-L300 PolarHBondContact OG1-N 2.94Å; T298-L300 VanDerWaalsContact OG1-N 3.13Å; T298-A304 WeakPolarHBondContact O-CB 3.45Å; T298-P468 HydrophobicContact CG2-CB 4.33Å; T298-P468 WeakPolarHBondContact OG1-CB 3.46Å; T298-A469 HydrophobicContact CG2-CB 4.26Å
299	A	98.5	Very high	97.9	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.033	10%	0.098	C	C	.	.	S	Bend	trans	-78.2	-4.3	171.8	0	0	0	0	0	113.9	N268 L269 L272 A304 P369 M373	N268-A299 HydrophobicContact CB-CB 3.87Å; L269-A299 HydrophobicContact CD2-CB 3.78Å; L269-A299 HydrophobicContact CG-CB 3.93Å; L272-A299 HydrophobicContact CD1-CB 4.11Å; A299-A304 WeakPolarHBondContact O-CB 3.08Å; A299-P369 HydrophobicContact CB-CB 3.66Å; A299-P369 HydrophobicContact CB-CG 4.13Å; A299-M373 HydrophobicContact CB-CE 4.34Å
300	L	98.4	Very high	98	Very high	35 Å²	35	21 Å²	21	18%	0.183	11%	0.113	C	C	.	.	S	Bend	trans	-106	-4.4	-169.1	-53.2	179.9	0	0	0	114.3	T298 P369 Q370 M373 P468 A471 T472	T298-L300 PolarHBondContact O-N 2.88Å; T298-L300 PolarHBondContact OG1-N 2.94Å; T298-L300 VanDerWaalsContact OG1-N 3.13Å; L300-P369 HydrophobicContact CD2-CB 4.05Å; L300-Q370 HydrophobicContact CD2-CB 4.1Å; L300-M373 HydrophobicContact CD1-SD 3.91Å; L300-M373 HydrophobicContact CD2-SD 4.18Å; L300-M373 HydrophobicContact CG-SD 4.16Å; L300-P468 HydrophobicContact CB-CB 4.23Å; L300-A471 HydrophobicContact CD1-CB 4.02Å; L300-T472 WeakPolarHBondContact CD1-OG1 3.4Å
301	S	97.5	Very high	98.2	Very high	8 Å²	8	24.1 Å²	24.1	6%	0.056	13%	0.126	C	C	.	.	S	Bend	trans	-77.2	151.2	176.8	55	0	0	0	0	111.6	W303 A304 Q464	S301-W303 PolarHBondContact O-N 2.73Å; S301-W303 VanDerWaalsContact OG-CD1 3.23Å; S301-W303 PolarHBondContact OG-NE1 2.7Å; S301-A304 VanDerWaalsContact O-CB 3.3Å; S301-A304 WeakPolarHBondContact O-CB 3.32Å; S301-A304 PolarHBondContact O-N 3.18Å; S301-Q464 WeakPolarHBondContact CB-O 3.37Å
302	S	96.9	Very high	98.3	Very high	22 Å²	22	23.5 Å²	23.5	15%	0.154	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.4	-175.2	62.5	0	0	0	0	115.4	Y352 H353 Q464	S302-Y352 CarbonylContact C-O 3.58Å; S302-Y352 WeakPolarHBondContact CB-O 3.39Å; S302-Y352 PolarHBondContact OG-O 2.82Å; S302-H353 PolarHBondContact O-CD2 3.24Å; S302-Q464 PolarHBondContact OG-NE2 2.9Å
303	W	97.3	Very high	98.3	Very high	14 Å²	14	23.5 Å²	23.5	5%	0.053	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	1.1	178.7	52.9	51.8	0	0	0	114.2	M130 S301 I354 F460 Q464 W465	M130-W303 HydrophobicContact CE-CB 3.54Å; M130-W303 HydrophobicContact CE-CD2 4.03Å; M130-W303 HydrophobicContact CE-CE3 4.43Å; M130-W303 HydrophobicContact CE-CG 3.66Å; M130-W303 HydrophobicContact CG-CD2 3.73Å; M130-W303 HydrophobicContact CG-CE3 3.37Å; M130-W303 HydrophobicContact CG-CG 4.37Å; M130-W303 HydrophobicContact CG-CH2 4.05Å; M130-W303 HydrophobicContact CG-CZ2 4.38Å; M130-W303 HydrophobicContact CG-CZ3 3.54Å; M130-W303 HydrophobicContact SD-CB 3.9Å; M130-W303 HydrophobicContact SD-CD2 3.95Å; M130-W303 HydrophobicContact SD-CE3 3.73Å; M130-W303 HydrophobicContact SD-CG 4.06Å; M130-W303 HydrophobicContact SD-CZ3 4.45Å; S301-W303 PolarHBondContact O-N 2.73Å; S301-W303 VanDerWaalsContact OG-CD1 3.23Å; S301-W303 PolarHBondContact OG-NE1 2.7Å; W303-I354 HydrophobicContact CB-CG2 4.14Å; W303-I354 WeakPolarHBondContact O-CD1 3.27Å; W303-I354 WeakPolarHBondContact O-CG1 3.34Å; W303-I354 WeakPolarHBondContact O-CG2 3.38Å; W303-F460 HydrophobicContact CH2-CE1 4.17Å; W303-F460 HydrophobicContact CH2-CZ 4.19Å; W303-F460 HydrophobicContact CZ3-CE1 4.36Å; W303-F460 AromaticContact CZ3-CZ 3.93Å; W303-F460 HydrophobicContact CZ3-CZ 3.93Å; W303-Q464 HydrophobicContact CH2-CB 3.53Å; W303-Q464 HydrophobicContact CH2-CG 3.6Å; W303-Q464 HydrophobicContact CZ2-CB 3.74Å; W303-Q464 HydrophobicContact CZ2-CG 4.25Å; W303-Q464 HydrophobicContact CZ3-CB 4.24Å; W303-Q464 HydrophobicContact CZ3-CG 3.83Å; W303-W465 AromaticContact CH2-CH2 3.67Å; W303-W465 HydrophobicContact CH2-CH2 3.67Å; W303-W465 AromaticContact CH2-CZ2 3.77Å; W303-W465 HydrophobicContact CH2-CZ2 3.77Å; W303-W465 HydrophobicContact CH2-CZ3 4.09Å; W303-W465 HydrophobicContact CZ2-CD2 4.34Å; W303-W465 AromaticContact CZ2-CE2 3.81Å; W303-W465 HydrophobicContact CZ2-CH2 4.04Å; W303-W465 AromaticContact CZ2-CZ2 3.66Å; W303-W465 HydrophobicContact CZ2-CZ2 3.66Å; W303-W465 HydrophobicContact CZ2-CZ3 4.49Å
304	A	98.2	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-34.8	-179.7	0	0	0	0	0	112.5	Y184 T298 A299 S301	Y184-A304 PolarHBondContact OH-O 2.82Å; T298-A304 WeakPolarHBondContact O-CB 3.45Å; A299-A304 WeakPolarHBondContact O-CB 3.08Å; S301-A304 VanDerWaalsContact O-CB 3.3Å; S301-A304 WeakPolarHBondContact O-CB 3.32Å; S301-A304 PolarHBondContact O-N 3.18Å
305	V	98.6	Very high	98.2	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.03	15%	0.154	C	C	.	.	S	Bend	trans	-130.2	138.2	-173.9	177	0	0	0	0	110.8	L269 F307 P358 I360 P369	L269-V305 HydrophobicContact CD2-CG2 4.39Å; V305-F307 HydrophobicContact CB-CD2 4.36Å; V305-F307 HydrophobicContact CB-CE2 3.84Å; V305-F307 HydrophobicContact CB-CZ 4.07Å; V305-F307 HydrophobicContact CG1-CD1 4.46Å; V305-F307 HydrophobicContact CG1-CD2 4.26Å; V305-F307 HydrophobicContact CG1-CE1 4.25Å; V305-F307 HydrophobicContact CG1-CE2 4.04Å; V305-F307 HydrophobicContact CG1-CG 4.47Å; V305-F307 HydrophobicContact CG1-CZ 4.03Å; V305-F307 WeakPolarHBondContact O-CD2 3.27Å; V305-F307 PolarHBondContact O-N 2.81Å; V305-P358 CarbonylContact C-O 3.54Å; V305-P358 WeakPolarHBondContact CA-O 3.46Å; V305-I360 HydrophobicContact CG1-CG1 4.22Å; V305-P369 HydrophobicContact CG2-CG 3.99Å
306	S	98.3	Very high	98.2	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.035	15%	0.154	C	C	.	.			trans	-90.3	98.2	172.7	167.4	0	0	0	0	110.1	Q308 P309 P358	S306-Q308 VanDerWaalsContact C-N 3.26Å; S306-Q308 PolarHBondContact O-N 2.91Å; S306-P309 WeakPolarHBondContact O-CD 3.29Å; S306-P358 PolarHBondContact N-O 3.29Å
307	F	97.6	Very high	98.2	Very high	116 Å²	116	30.6 Å²	30.6	51%	0.509	15%	0.154	S	C	.	.	S	Bend	trans	-76.3	-3.2	177.4	-64.7	-87.7	0	0	0	114.7	V305 I360 D368	V305-F307 HydrophobicContact CB-CD2 4.36Å; V305-F307 HydrophobicContact CB-CE2 3.84Å; V305-F307 HydrophobicContact CB-CZ 4.07Å; V305-F307 HydrophobicContact CG1-CD1 4.46Å; V305-F307 HydrophobicContact CG1-CD2 4.26Å; V305-F307 HydrophobicContact CG1-CE1 4.25Å; V305-F307 HydrophobicContact CG1-CE2 4.04Å; V305-F307 HydrophobicContact CG1-CG 4.47Å; V305-F307 HydrophobicContact CG1-CZ 4.03Å; V305-F307 WeakPolarHBondContact O-CD2 3.27Å; V305-F307 PolarHBondContact O-N 2.81Å; F307-I360 HydrophobicContact CD1-CD1 4.23Å; F307-I360 HydrophobicContact CE1-CD1 3.76Å; F307-D368 WeakPolarHBondContact CE1-OD2 3.4Å
308	Q	98	Very high	98.2	Very high	104 Å²	104	34.2 Å²	34.2	49%	0.486	17%	0.174	S	C	.	.			trans	-131.4	48.5	-179.2	-61.6	-172.6	-9.3	0	0	113.5	S306 A310 K311 Y312	S306-Q308 VanDerWaalsContact C-N 3.26Å; S306-Q308 PolarHBondContact O-N 2.91Å; Q308-A310 PolarHBondContact O-N 3.27Å; Q308-K311 HydrophobicContact CB-CB 4.34Å; Q308-K311 HydrophobicContact CB-CD 4.04Å; Q308-K311 WeakPolarHBondContact O-CB 3.4Å; Q308-K311 PolarHBondContact O-N 2.93Å; Q308-Y312 HydrophobicContact CB-CE2 4Å; Q308-Y312 WeakPolarHBondContact O-CD2 3.32Å
309	P	98.4	Very high	98.2	Very high	23 Å²	23	39 Å²	39	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-43.9	-169.5	27	-32.8	0	0	0	113	S219 S306 K311 Y312 A313 V359	S219-P309 CarbonylContact O-C 3.47Å; S306-P309 WeakPolarHBondContact O-CD 3.29Å; P309-K311 PolarHBondContact O-N 2.94Å; P309-K311 VanDerWaalsContact O-N 3.14Å; P309-Y312 PolarHBondContact O-N 2.87Å; P309-A313 WeakPolarHBondContact O-CB 3.33Å; P309-A313 PolarHBondContact O-N 3.31Å; P309-V359 HydrophobicContact CB-CG1 3.81Å; P309-V359 HydrophobicContact CG-CG1 3.93Å
310	A	98.5	Very high	98.2	Very high	40 Å²	40	39.2 Å²	39.2	33%	0.331	20%	0.195	S	C	.	.	H	α-helix	trans	-56.4	-33.6	-179.6	0	0	0	0	0	113.6	T220 Q308 R314	T220-A310 WeakPolarHBondContact O-CB 3.48Å; Q308-A310 PolarHBondContact O-N 3.27Å; A310-R314 WeakPolarHBondContact O-CB 3.46Å; A310-R314 WeakPolarHBondContact O-CG 3.49Å; A310-R314 PolarHBondContact O-N 2.86Å
311	K	98.5	Very high	98.2	Very high	91 Å²	91	40.8 Å²	40.8	40%	0.396	22%	0.22	S	C	.	.	H	α-helix	trans	-64.6	-53	174.9	168.3	-161.5	176.5	-164.9	0	110.5	Q308 P309 R314 M315	Q308-K311 HydrophobicContact CB-CB 4.34Å; Q308-K311 HydrophobicContact CB-CD 4.04Å; Q308-K311 WeakPolarHBondContact O-CB 3.4Å; Q308-K311 PolarHBondContact O-N 2.93Å; P309-K311 PolarHBondContact O-N 2.94Å; P309-K311 VanDerWaalsContact O-N 3.14Å; K311-R314 PolarHBondContact O-N 3.46Å; K311-M315 HydrophobicContact CG-SD 4.07Å; K311-M315 WeakPolarHBondContact O-CG 3.44Å; K311-M315 PolarHBondContact O-N 2.79Å
312	Y	98.5	Very high	98.3	Very high	6 Å²	6	40.4 Å²	40.4	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-70.3	-35.1	-178.1	-58.4	-59.2	0	0	0	112.4	Q308 P309 M315 L316 I347 P349 A355	Q308-Y312 HydrophobicContact CB-CE2 4Å; Q308-Y312 WeakPolarHBondContact O-CD2 3.32Å; P309-Y312 PolarHBondContact O-N 2.87Å; Y312-M315 HydrophobicContact CD1-CE 4.4Å; Y312-M315 HydrophobicContact CD1-SD 3.81Å; Y312-M315 HydrophobicContact CE1-SD 4.22Å; Y312-M315 PolarHBondContact O-N 3.02Å; Y312-L316 WeakPolarHBondContact O-CB 3.39Å; Y312-L316 PolarHBondContact O-N 3.09Å; Y312-I347 HydrophobicContact CD1-CG2 3.99Å; Y312-I347 HydrophobicContact CG-CG2 4.45Å; Y312-P349 HydrophobicContact CE1-CB 4.39Å; Y312-A355 HydrophobicContact CD1-CB 4.04Å; Y312-A355 HydrophobicContact CD2-CB 4.08Å; Y312-A355 WeakPolarHBondContact CD2-O 3.49Å; Y312-A355 HydrophobicContact CE1-CB 4.45Å; Y312-A355 HydrophobicContact CE2-CB 4.46Å; Y312-A355 HydrophobicContact CG-CB 3.86Å
313	A	98.7	Very high	98.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-44.1	170.9	0	0	0	0	0	112.3	L218 S219 P309 L316 A317	L218-A313 HydrophobicContact CD1-CB 4.26Å; L218-A313 HydrophobicContact CG-CB 4.14Å; S219-A313 VanDerWaalsContact O-CB 3.32Å; S219-A313 WeakPolarHBondContact O-CB 3.27Å; P309-A313 WeakPolarHBondContact O-CB 3.33Å; P309-A313 PolarHBondContact O-N 3.31Å; A313-L316 PolarHBondContact O-N 3.23Å; A313-A317 VanDerWaalsContact O-CB 3.29Å; A313-A317 WeakPolarHBondContact O-CB 3.44Å; A313-A317 PolarHBondContact O-N 3.33Å
314	R	98.4	Very high	98.2	Very high	81 Å²	81	44.9 Å²	44.9	31%	0.306	24%	0.243	S	C	.	.	H	α-helix	trans	-71.8	-30.9	174.7	-74.3	-169.8	177.8	-81.6	0.2	113.7	A310 K311 T318 N323 V324 S325 L330	A310-R314 WeakPolarHBondContact O-CB 3.46Å; A310-R314 WeakPolarHBondContact O-CG 3.49Å; A310-R314 PolarHBondContact O-N 2.86Å; K311-R314 PolarHBondContact O-N 3.46Å; R314-T318 WeakPolarHBondContact O-CB 3.14Å; R314-T318 PolarHBondContact O-N 2.92Å; R314-T318 PolarHBondContact O-OG1 2.92Å; R314-N323 PolarHBondContact NH1-OD1 2.57Å; R314-V324 PolarHBondContact NH1-O 3.32Å; R314-S325 PolarHBondContact NH2-O 2.84Å; R314-L330 HydrophobicContact CG-CD1 4.17Å
315	M	98.4	Very high	98	Very high	74 Å²	74	50.4 Å²	50.4	37%	0.365	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-47.7	170.5	-73.6	169.5	61.9	0	0	111.1	K311 Y312 T318 K319 I347	K311-M315 HydrophobicContact CG-SD 4.07Å; K311-M315 WeakPolarHBondContact O-CG 3.44Å; K311-M315 PolarHBondContact O-N 2.79Å; Y312-M315 HydrophobicContact CD1-CE 4.4Å; Y312-M315 HydrophobicContact CD1-SD 3.81Å; Y312-M315 HydrophobicContact CE1-SD 4.22Å; Y312-M315 PolarHBondContact O-N 3.02Å; M315-T318 WeakPolarHBondContact O-CB 3.36Å; M315-T318 PolarHBondContact O-N 2.9Å; M315-K319 PolarHBondContact O-N 3.46Å; M315-K319 VanDerWaalsContact O-N 3.09Å; M315-I347 HydrophobicContact CB-CD1 4.09Å; M315-I347 HydrophobicContact CE-CG2 4.39Å
316	L	98.6	Very high	98	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-52.1	174.7	178.6	74.4	0	0	0	111.3	V214 L218 Y312 A313 T318 K319 V320 Q345 I347 F356	V214-L316 HydrophobicContact CB-CD2 4.38Å; V214-L316 HydrophobicContact CG1-CD2 3.49Å; V214-L316 VanDerWaalsContact CG1-CD2 3.49Å; V214-L316 HydrophobicContact CG2-CD1 4.4Å; V214-L316 HydrophobicContact CG2-CD2 3.91Å; L218-L316 HydrophobicContact CD1-CD2 3.65Å; Y312-L316 WeakPolarHBondContact O-CB 3.39Å; Y312-L316 PolarHBondContact O-N 3.09Å; A313-L316 PolarHBondContact O-N 3.23Å; L316-T318 PolarHBondContact O-N 3.3Å; L316-K319 PolarHBondContact O-N 2.92Å; L316-V320 PolarHBondContact O-N 3.07Å; L316-Q345 HydrophobicContact CD1-CB 3.59Å; L316-Q345 HydrophobicContact CD1-CG 3.63Å; L316-I347 HydrophobicContact CB-CD1 4.22Å; L316-I347 HydrophobicContact CB-CG1 4.4Å; L316-I347 HydrophobicContact CD1-CG1 4.24Å; L316-F356 HydrophobicContact CB-CZ 4.11Å; L316-F356 HydrophobicContact CD2-CZ 4.26Å
317	A	98.6	Very high	98	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-32	178	0	0	0	0	0	111.9	A313 G321 C322 N323 L330 L334	A313-A317 VanDerWaalsContact O-CB 3.29Å; A313-A317 WeakPolarHBondContact O-CB 3.44Å; A313-A317 PolarHBondContact O-N 3.33Å; A317-G321 CarbonylContact O-C 3.52Å; A317-G321 PolarHBondContact O-N 3.43Å; A317-G321 VanDerWaalsContact O-N 3.09Å; A317-C322 HydrophobicContact CB-CB 4.21Å; A317-C322 CarbonylContact O-C 3.51Å; A317-C322 WeakPolarHBondContact O-CA 3.27Å; A317-C322 PolarHBondContact O-N 2.81Å; A317-N323 HydrophobicContact CB-CB 4.07Å; A317-N323 PolarHBondContact O-N 2.71Å; A317-N323 VanDerWaalsContact O-N 3.09Å; A317-L330 HydrophobicContact CB-CD1 3.78Å; A317-L330 HydrophobicContact CB-CD2 4.13Å; A317-L330 HydrophobicContact CB-CG 3.87Å; A317-L334 HydrophobicContact CB-CD2 4.5Å
318	T	98.5	Very high	98.1	Very high	83 Å²	83	52.9 Å²	52.9	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-68.5	-46.2	174.1	-57.9	0	0	0	0	111.3	R314 M315 L316 V320 G321 N323	R314-T318 WeakPolarHBondContact O-CB 3.14Å; R314-T318 PolarHBondContact O-N 2.92Å; R314-T318 PolarHBondContact O-OG1 2.92Å; M315-T318 WeakPolarHBondContact O-CB 3.36Å; M315-T318 PolarHBondContact O-N 2.9Å; L316-T318 PolarHBondContact O-N 3.3Å; T318-V320 VanDerWaalsContact C-N 3.32Å; T318-V320 PolarHBondContact O-N 3.11Å; T318-G321 PolarHBondContact O-N 2.88Å; T318-N323 WeakPolarHBondContact OG1-CB 3.3Å; T318-N323 PolarHBondContact OG1-ND2 2.76Å
319	K	98.3	Very high	98.1	Very high	108 Å²	108	53.6 Å²	53.6	47%	0.47	31%	0.306	S	S	.	.	H	α-helix	trans	-63.3	-33.4	179.6	-71.4	-161.1	173	-170.6	0	113.3	M315 L316 Q345 D346 I347	M315-K319 PolarHBondContact O-N 3.46Å; M315-K319 VanDerWaalsContact O-N 3.09Å; L316-K319 PolarHBondContact O-N 2.92Å; K319-Q345 HydrophobicContact CB-CG 4.41Å; K319-D346 WeakPolarHBondContact CE-O 3.48Å; K319-D346 PolarHBondContact NZ-O 2.81Å; K319-D346 IonicContact NZ-OD2 3.57Å; K319-D346 PolarHBondContact NZ-OD2 3.26Å; K319-I347 HydrophobicContact CD-CD1 4.05Å; K319-I347 HydrophobicContact CG-CD1 4.49Å
320	V	98.5	Very high	98.1	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.042	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5.2	178.6	-52.1	0	0	0	0	114.7	L316 T318 C322 L334 K337 E341 L342 Q345	L316-V320 PolarHBondContact O-N 3.07Å; T318-V320 VanDerWaalsContact C-N 3.32Å; T318-V320 PolarHBondContact O-N 3.11Å; V320-C322 HydrophobicContact CG2-CB 4.21Å; V320-L334 HydrophobicContact CG2-CD2 3.46Å; V320-L334 VanDerWaalsContact CG2-CD2 3.46Å; V320-K337 HydrophobicContact CG2-CG 4.45Å; V320-K337 WeakPolarHBondContact O-CE 3.49Å; V320-K337 PolarHBondContact O-NZ 2.86Å; V320-E341 HydrophobicContact CG1-CG 4.4Å; V320-L342 HydrophobicContact CG1-CD2 4.25Å; V320-L342 HydrophobicContact CG2-CD2 4.16Å; V320-Q345 HydrophobicContact CG1-CG 3.77Å
321	G	98.3	Very high	98.1	Very high	68 Å²	68	51 Å²	51	70%	0.701	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	25.7	175.9	0	0	0	0	0	115.8	A317 T318	A317-G321 CarbonylContact O-C 3.52Å; A317-G321 PolarHBondContact O-N 3.43Å; A317-G321 VanDerWaalsContact O-N 3.09Å; T318-G321 PolarHBondContact O-N 2.88Å
322	C	98.4	Very high	98.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	29%	0.287	C	S	.	.			trans	-110.2	5.8	177.9	-71.8	0	0	0	0	114.6	A317 V320 V324 L330 C333 L334	A317-C322 HydrophobicContact CB-CB 4.21Å; A317-C322 CarbonylContact O-C 3.51Å; A317-C322 WeakPolarHBondContact O-CA 3.27Å; A317-C322 PolarHBondContact O-N 2.81Å; V320-C322 HydrophobicContact CG2-CB 4.21Å; C322-V324 VanDerWaalsContact C-N 3.28Å; C322-V324 PolarHBondContact O-N 3.13Å; C322-L330 WeakPolarHBondContact O-CG 3.45Å; C322-C333 WeakPolarHBondContact CA-SG 3.44Å; C322-C333 HydrophobicContact CB-CB 3.57Å; C322-C333 WeakPolarHBondContact CB-SG 3.47Å; C322-C333 WeakPolarHBondContact SG-CB 3.32Å; C322-C333 CovalentContact SG-SG 2.04Å; C322-C333 PolarHBondContact SG-SG 3.13Å; C322-L334 HydrophobicContact CB-CD2 3.92Å; C322-L334 HydrophobicContact CB-CG 4.25Å
323	N	95.4	Very high	98.1	Very high	73 Å²	73	52.5 Å²	52.5	39%	0.39	30%	0.298	S	S	.	.			trans	-76.6	75.1	-178.2	-172.9	25.7	0	0	0	112.4	R314 A317 T318	R314-N323 PolarHBondContact NH1-OD1 2.57Å; A317-N323 HydrophobicContact CB-CB 4.07Å; A317-N323 PolarHBondContact O-N 2.71Å; A317-N323 VanDerWaalsContact O-N 3.09Å; T318-N323 WeakPolarHBondContact OG1-CB 3.3Å; T318-N323 PolarHBondContact OG1-ND2 2.76Å
324	V	96.6	Very high	98.1	Very high	57 Å²	57	52.4 Å²	52.4	35%	0.345	30%	0.298	S	S	.	.			trans	-88.8	164.2	167.7	-67.2	0	0	0	0	111	R314 C322 E329 L330	R314-V324 PolarHBondContact NH1-O 3.32Å; C322-V324 VanDerWaalsContact C-N 3.28Å; C322-V324 PolarHBondContact O-N 3.13Å; V324-E329 HydrophobicContact CG2-CB 3.69Å; V324-L330 HydrophobicContact CG2-CB 3.92Å
325	S	95.8	Very high	98.2	Very high	115 Å²	115	50.2 Å²	50.2	80%	0.804	29%	0.291	S	S	*	.	S	Bend	trans	-66.3	-47.1	-176.5	-59.3	0	0	0	0	112.4	R314	R314-S325 PolarHBondContact NH2-O 2.84Å
326	D	98.1	Very high	98.2	Very high	75 Å²	75	53.8 Å²	53.8	40%	0.401	30%	0.304	S	S	.	.	S	Bend	trans	-71.4	137.7	178.5	-175	-86.7	0	0	0	111.2	V328 E329 L330	D326-V328 WeakPolarHBondContact OD1-CA 3.4Å; D326-V328 WeakPolarHBondContact OD1-CB 3.2Å; D326-V328 PolarHBondContact OD1-N 3.04Å; D326-E329 HydrophobicContact CB-CB 4.19Å; D326-E329 HydrophobicContact CB-CG 4.1Å; D326-E329 PolarHBondContact OD1-N 3.43Å; D326-L330 VanDerWaalsContact O-CB 3.32Å; D326-L330 WeakPolarHBondContact O-CB 3.12Å; D326-L330 PolarHBondContact O-N 3.39Å
327	T	98.3	Very high	98.2	Very high	25 Å²	25	56 Å²	56	15%	0.153	31%	0.314	C	S	.	.	H	α-helix	trans	-82.9	-24.5	-175.7	40.5	0	0	0	0	113.4	T220 D222 A224 V331	T220-T327 HydrophobicContact CG2-CG2 4.07Å; D222-T327 VanDerWaalsContact OD2-CB 3.27Å; D222-T327 WeakPolarHBondContact OD2-CB 3.33Å; D222-T327 VanDerWaalsContact OD2-CG2 3.3Å; D222-T327 WeakPolarHBondContact OD2-CG2 3.14Å; D222-T327 PolarHBondContact OD2-OG1 3.38Å; A224-T327 VanDerWaalsContact CB-C 3.45Å; A224-T327 WeakPolarHBondContact CB-O 3.48Å; T327-V331 VanDerWaalsContact O-CG2 3.27Å; T327-V331 WeakPolarHBondContact O-CG2 3.37Å; T327-V331 PolarHBondContact O-N 3.23Å
328	V	98.6	Very high	98.2	Very high	79 Å²	79	59.7 Å²	59.7	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-73.6	-47.1	173.8	-174.6	0	0	0	0	110	A224 D326 L330 V331 E332	A224-V328 HydrophobicContact CB-CB 4.49Å; A224-V328 HydrophobicContact CB-CG2 3.87Å; D326-V328 WeakPolarHBondContact OD1-CA 3.4Å; D326-V328 WeakPolarHBondContact OD1-CB 3.2Å; D326-V328 PolarHBondContact OD1-N 3.04Å; V328-L330 PolarHBondContact O-N 3.05Å; V328-V331 PolarHBondContact O-N 3.42Å; V328-E332 WeakPolarHBondContact O-CB 3.44Å; V328-E332 PolarHBondContact O-N 2.81Å
329	E	98.6	Very high	98.1	Very high	119 Å²	119	59.3 Å²	59.3	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-59.2	-36.9	174.1	-67	-173.1	169.1	0	0	112	V324 D326 C333	V324-E329 HydrophobicContact CG2-CB 3.69Å; D326-E329 HydrophobicContact CB-CB 4.19Å; D326-E329 HydrophobicContact CB-CG 4.1Å; D326-E329 PolarHBondContact OD1-N 3.43Å; E329-C333 WeakPolarHBondContact O-CB 3.35Å; E329-C333 PolarHBondContact O-N 2.95Å
330	L	98.7	Very high	98.1	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-49	174.9	-179.4	156	0	0	0	111.5	T220 R314 A317 C322 V324 D326 V328 C333 L334	T220-L330 HydrophobicContact CG2-CD2 4.41Å; R314-L330 HydrophobicContact CG-CD1 4.17Å; A317-L330 HydrophobicContact CB-CD1 3.78Å; A317-L330 HydrophobicContact CB-CD2 4.13Å; A317-L330 HydrophobicContact CB-CG 3.87Å; C322-L330 WeakPolarHBondContact O-CG 3.45Å; V324-L330 HydrophobicContact CG2-CB 3.92Å; D326-L330 VanDerWaalsContact O-CB 3.32Å; D326-L330 WeakPolarHBondContact O-CB 3.12Å; D326-L330 PolarHBondContact O-N 3.39Å; V328-L330 PolarHBondContact O-N 3.05Å; L330-C333 WeakPolarHBondContact O-CB 3.47Å; L330-C333 PolarHBondContact O-N 2.96Å; L330-L334 HydrophobicContact CD2-CD1 3.72Å; L330-L334 HydrophobicContact CD2-CG 4.39Å; L330-L334 WeakPolarHBondContact O-CG 3.48Å; L330-L334 PolarHBondContact O-N 3.42Å
331	V	98.8	Very high	98.1	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.036	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-43.9	179.1	170.9	0	0	0	0	111	F95 T220 A224 A225 T327 V328 C333 L334 Q335	F95-V331 HydrophobicContact CB-CG1 4.47Å; F95-V331 HydrophobicContact CD2-CG1 4.02Å; T220-V331 HydrophobicContact CG2-CG2 3.77Å; A224-V331 HydrophobicContact CB-CG2 4.09Å; A225-V331 HydrophobicContact CB-CG1 4.43Å; A225-V331 HydrophobicContact CB-CG2 3.69Å; T327-V331 VanDerWaalsContact O-CG2 3.27Å; T327-V331 WeakPolarHBondContact O-CG2 3.37Å; T327-V331 PolarHBondContact O-N 3.23Å; V328-V331 PolarHBondContact O-N 3.42Å; V331-C333 VanDerWaalsContact C-N 3.27Å; V331-C333 PolarHBondContact O-N 3.26Å; V331-L334 PolarHBondContact O-N 3.08Å; V331-L334 VanDerWaalsContact O-N 3.11Å; V331-Q335 WeakPolarHBondContact O-CG 3.34Å; V331-Q335 PolarHBondContact O-N 3.23Å
332	E	98.6	Very high	98.1	Very high	89 Å²	89	59 Å²	59	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-56	-40.5	172.5	-90.6	-159.3	-138.8	0	0	112.6	V328 Q335 K336	V328-E332 WeakPolarHBondContact O-CB 3.44Å; V328-E332 PolarHBondContact O-N 2.81Å; E332-Q335 PolarHBondContact O-N 3.18Å; E332-K336 WeakPolarHBondContact O-CD 3.26Å; E332-K336 VanDerWaalsContact O-CE 3.31Å; E332-K336 WeakPolarHBondContact O-CE 3.28Å; E332-K336 VanDerWaalsContact O-CG 3.27Å; E332-K336 WeakPolarHBondContact O-CG 3.4Å; E332-K336 PolarHBondContact O-N 3.4Å; E332-K336 IonicContact OE2-NZ 2.69Å; E332-K336 PolarHBondContact OE2-NZ 3.36Å
333	C	98.7	Very high	98	Very high	40 Å²	40	60.1 Å²	60.1	27%	0.27	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-41.9	176.3	-175.6	0	0	0	0	111.4	C322 E329 L330 V331 K336	C322-C333 WeakPolarHBondContact CA-SG 3.44Å; C322-C333 HydrophobicContact CB-CB 3.57Å; C322-C333 WeakPolarHBondContact CB-SG 3.47Å; C322-C333 WeakPolarHBondContact SG-CB 3.32Å; C322-C333 CovalentContact SG-SG 2.04Å; C322-C333 PolarHBondContact SG-SG 3.13Å; E329-C333 WeakPolarHBondContact O-CB 3.35Å; E329-C333 PolarHBondContact O-N 2.95Å; L330-C333 WeakPolarHBondContact O-CB 3.47Å; L330-C333 PolarHBondContact O-N 2.96Å; V331-C333 VanDerWaalsContact C-N 3.27Å; V331-C333 PolarHBondContact O-N 3.26Å; C333-K336 PolarHBondContact O-N 2.89Å
334	L	98.8	Very high	98	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68	-33.4	176.1	-65.1	178	0	0	0	113.1	R94 F95 L218 A317 V320 C322 L330 V331 K336 K337 L342	R94-L334 PolarHBondContact NH1-O 2.9Å; F95-L334 HydrophobicContact CE2-CB 3.72Å; F95-L334 HydrophobicContact CZ-CB 4.21Å; L218-L334 HydrophobicContact CD1-CD1 3.62Å; L218-L334 HydrophobicContact CD2-CD1 4.42Å; A317-L334 HydrophobicContact CB-CD2 4.5Å; V320-L334 HydrophobicContact CG2-CD2 3.46Å; V320-L334 VanDerWaalsContact CG2-CD2 3.46Å; C322-L334 HydrophobicContact CB-CD2 3.92Å; C322-L334 HydrophobicContact CB-CG 4.25Å; L330-L334 HydrophobicContact CD2-CD1 3.72Å; L330-L334 HydrophobicContact CD2-CG 4.39Å; L330-L334 WeakPolarHBondContact O-CG 3.48Å; L330-L334 PolarHBondContact O-N 3.42Å; V331-L334 PolarHBondContact O-N 3.08Å; V331-L334 VanDerWaalsContact O-N 3.11Å; L334-K336 VanDerWaalsContact C-N 3.26Å; L334-K336 PolarHBondContact O-N 3.29Å; L334-K337 PolarHBondContact O-N 2.98Å; L334-L342 HydrophobicContact CD2-CD2 3.83Å
335	Q	98.6	Very high	98	Very high	35 Å²	35	58.5 Å²	58.5	16%	0.164	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-33.8	171.9	-73.1	-179.6	-33.8	0	0	112.1	E92 R94 F95 V331 E332 K337	E92-Q335 PolarHBondContact O-NE2 2.83Å; R94-Q335 HydrophobicContact CB-CG 4.38Å; R94-Q335 PolarHBondContact NH1-O 3.18Å; R94-Q335 VanDerWaalsContact NH1-O 3.12Å; R94-Q335 PolarHBondContact O-NE2 2.77Å; F95-Q335 HydrophobicContact CD2-CG 3.84Å; F95-Q335 HydrophobicContact CE2-CG 4.22Å; V331-Q335 WeakPolarHBondContact O-CG 3.34Å; V331-Q335 PolarHBondContact O-N 3.23Å; E332-Q335 PolarHBondContact O-N 3.18Å; Q335-K337 VanDerWaalsContact C-N 3.28Å; Q335-K337 PolarHBondContact O-N 2.72Å
336	K	98.5	Very high	97.9	Very high	148 Å²	148	56.1 Å²	56.1	64%	0.643	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.3	-179.5	-66.2	157.7	-162.6	165.7	0	113.7	E332 C333 L334	E332-K336 WeakPolarHBondContact O-CD 3.26Å; E332-K336 VanDerWaalsContact O-CE 3.31Å; E332-K336 WeakPolarHBondContact O-CE 3.28Å; E332-K336 VanDerWaalsContact O-CG 3.27Å; E332-K336 WeakPolarHBondContact O-CG 3.4Å; E332-K336 PolarHBondContact O-N 3.4Å; E332-K336 IonicContact OE2-NZ 2.69Å; E332-K336 PolarHBondContact OE2-NZ 3.36Å; C333-K336 PolarHBondContact O-N 2.89Å; L334-K336 VanDerWaalsContact C-N 3.26Å; L334-K336 PolarHBondContact O-N 3.29Å
337	K	98.6	Very high	97.7	Very high	46 Å²	46	53.4 Å²	53.4	20%	0.2	27%	0.266	C	S	.	.	S	Bend	trans	-81.9	151.4	176.7	-66.6	-59.2	-165.1	153.2	0	113.3	R94 V320 L334 Q335 E341 L342	R94-K337 PolarHBondContact NH1-O 2.76Å; R94-K337 PolarHBondContact NH2-O 3.09Å; V320-K337 HydrophobicContact CG2-CG 4.45Å; V320-K337 WeakPolarHBondContact O-CE 3.49Å; V320-K337 PolarHBondContact O-NZ 2.86Å; L334-K337 PolarHBondContact O-N 2.98Å; Q335-K337 VanDerWaalsContact C-N 3.28Å; Q335-K337 PolarHBondContact O-N 2.72Å; K337-E341 WeakPolarHBondContact CE-OE1 3.43Å; K337-E341 IonicContact NZ-OE1 2.66Å; K337-E341 PolarHBondContact NZ-OE1 3.17Å; K337-E341 IonicContact NZ-OE2 2.62Å; K337-L342 HydrophobicContact CB-CD1 4.39Å; K337-L342 HydrophobicContact CB-CD2 3.8Å; K337-L342 HydrophobicContact CB-CG 4.01Å; K337-L342 HydrophobicContact CG-CD2 3.98Å
338	P	98.6	Very high	97.4	Very high	79 Å²	79	57.6 Å²	57.6	51%	0.513	28%	0.284	S	S	.	.			trans	-60.7	136.3	161.9	-16.8	30.9	0	0	0	110	K340 E341 L342	P338-K340 PolarHBondContact O-N 2.83Å; P338-K340 VanDerWaalsContact O-N 3.17Å; P338-E341 HydrophobicContact CB-CB 4.36Å; P338-E341 WeakPolarHBondContact CD-OE2 3.16Å; P338-E341 HydrophobicContact CG-CB 4.44Å; P338-E341 WeakPolarHBondContact O-CB 3.38Å; P338-E341 PolarHBondContact O-N 3Å; P338-L342 PolarHBondContact O-N 3Å
339	Y	98.4	Very high	97.2	Very high	74 Å²	74	56 Å²	56	29%	0.29	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-36	-178.2	65.8	-99	0	0	0	112.4	P118 Q149 E151 E341 L342 V343	P118-Y339 HydrophobicContact CB-CD2 3.41Å; P118-Y339 VanDerWaalsContact CB-CD2 3.41Å; P118-Y339 HydrophobicContact CB-CE2 3.7Å; P118-Y339 HydrophobicContact CB-CG 4.37Å; P118-Y339 HydrophobicContact CG-CD2 3.48Å; P118-Y339 VanDerWaalsContact CG-CD2 3.48Å; P118-Y339 HydrophobicContact CG-CE2 3.73Å; P118-Y339 HydrophobicContact CG-CG 4.07Å; Q149-Y339 PolarHBondContact O-OH 3.09Å; Q149-Y339 VanDerWaalsContact O-OH 3.09Å; E151-Y339 HydrophobicContact CB-CD1 4.25Å; Y339-E341 VanDerWaalsContact C-N 3.34Å; Y339-E341 PolarHBondContact O-N 2.97Å; Y339-L342 WeakPolarHBondContact O-CB 3.33Å; Y339-L342 PolarHBondContact O-N 3.45Å; Y339-L342 VanDerWaalsContact O-N 3.1Å; Y339-V343 PolarHBondContact O-N 2.78Å
340	K	97.3	Very high	96.9	Very high	109 Å²	109	52.4 Å²	52.4	47%	0.474	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-32.7	178.1	-173.5	156.1	-179.6	56.8	0	113	P338 L342 V343 D344	P338-K340 PolarHBondContact O-N 2.83Å; P338-K340 VanDerWaalsContact O-N 3.17Å; K340-L342 PolarHBondContact O-N 2.88Å; K340-V343 PolarHBondContact O-N 2.89Å; K340-D344 WeakPolarHBondContact CE-OD2 3.29Å; K340-D344 WeakPolarHBondContact CG-OD2 3.46Å; K340-D344 IonicContact NZ-OD1 3.66Å; K340-D344 PolarHBondContact NZ-OD1 3.32Å; K340-D344 IonicContact NZ-OD2 2.71Å; K340-D344 PolarHBondContact NZ-OD2 2.9Å; K340-D344 WeakPolarHBondContact O-CB 3.26Å; K340-D344 PolarHBondContact O-N 3.15Å
341	E	98.1	Very high	96.6	Very high	68 Å²	68	57.5 Å²	57.5	32%	0.318	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-27.8	173.7	-162.3	-167.7	140.4	0	0	111.8	V320 K337 P338 Y339 Q345	V320-E341 HydrophobicContact CG1-CG 4.4Å; K337-E341 WeakPolarHBondContact CE-OE1 3.43Å; K337-E341 IonicContact NZ-OE1 2.66Å; K337-E341 PolarHBondContact NZ-OE1 3.17Å; K337-E341 IonicContact NZ-OE2 2.62Å; P338-E341 HydrophobicContact CB-CB 4.36Å; P338-E341 WeakPolarHBondContact CD-OE2 3.16Å; P338-E341 HydrophobicContact CG-CB 4.44Å; P338-E341 WeakPolarHBondContact O-CB 3.38Å; P338-E341 PolarHBondContact O-N 3Å; Y339-E341 VanDerWaalsContact C-N 3.34Å; Y339-E341 PolarHBondContact O-N 2.97Å; E341-Q345 VanDerWaalsContact O-CG 3.28Å; E341-Q345 WeakPolarHBondContact O-CG 3.35Å; E341-Q345 PolarHBondContact O-NE2 2.9Å
342	L	98.4	Very high	96.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-81.6	-46.3	176.3	-57	-179.9	0	0	0	112.2	F95 V214 L215 V320 L334 K337 P338 Y339 K340 Q345	F95-L342 HydrophobicContact CZ-CD1 4.18Å; V214-L342 HydrophobicContact CG1-CB 4.23Å; V214-L342 HydrophobicContact CG1-CD1 4.42Å; L215-L342 HydrophobicContact CD2-CD1 4.17Å; V320-L342 HydrophobicContact CG1-CD2 4.25Å; V320-L342 HydrophobicContact CG2-CD2 4.16Å; L334-L342 HydrophobicContact CD2-CD2 3.83Å; K337-L342 HydrophobicContact CB-CD1 4.39Å; K337-L342 HydrophobicContact CB-CD2 3.8Å; K337-L342 HydrophobicContact CB-CG 4.01Å; K337-L342 HydrophobicContact CG-CD2 3.98Å; P338-L342 PolarHBondContact O-N 3Å; Y339-L342 WeakPolarHBondContact O-CB 3.33Å; Y339-L342 PolarHBondContact O-N 3.45Å; Y339-L342 VanDerWaalsContact O-N 3.1Å; K340-L342 PolarHBondContact O-N 2.88Å; L342-Q345 PolarHBondContact O-N 3.43Å
343	V	97.2	Very high	96.3	Very high	24 Å²	24	56 Å²	56	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-72.5	-34.3	-175.3	171.7	0	0	0	0	112.5	P118 N120 L215 Y339 K340 Q345	P118-V343 HydrophobicContact CB-CG2 4.18Å; N120-V343 HydrophobicContact CB-CG1 4.29Å; L215-V343 HydrophobicContact CD1-CG2 4.4Å; Y339-V343 PolarHBondContact O-N 2.78Å; K340-V343 PolarHBondContact O-N 2.89Å; V343-Q345 PolarHBondContact O-N 3.08Å; V343-Q345 VanDerWaalsContact O-N 3.14Å
344	D	95.7	Very high	96.1	Very high	44 Å²	44	54.6 Å²	54.6	24%	0.235	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	7.1	177.4	-68.6	-23.4	0	0	0	113.5	N120 R125 K340	N120-D344 PolarHBondContact ND2-OD1 3.45Å; R125-D344 VanDerWaalsContact NH1-C 3.33Å; R125-D344 PolarHBondContact NH1-O 3.44Å; R125-D344 PolarHBondContact NH2-O 3.16Å; K340-D344 WeakPolarHBondContact CE-OD2 3.29Å; K340-D344 WeakPolarHBondContact CG-OD2 3.46Å; K340-D344 IonicContact NZ-OD1 3.66Å; K340-D344 PolarHBondContact NZ-OD1 3.32Å; K340-D344 IonicContact NZ-OD2 2.71Å; K340-D344 PolarHBondContact NZ-OD2 2.9Å; K340-D344 WeakPolarHBondContact O-CB 3.26Å; K340-D344 PolarHBondContact O-N 3.15Å
345	Q	95.8	Very high	96	Very high	51 Å²	51	55 Å²	55	24%	0.238	27%	0.27	C	S	.	.			trans	-82	124.8	174.5	-60	-53.6	-36.9	0	0	112.2	L316 K319 V320 E341 L342 V343 I347	L316-Q345 HydrophobicContact CD1-CB 3.59Å; L316-Q345 HydrophobicContact CD1-CG 3.63Å; K319-Q345 HydrophobicContact CB-CG 4.41Å; V320-Q345 HydrophobicContact CG1-CG 3.77Å; E341-Q345 VanDerWaalsContact O-CG 3.28Å; E341-Q345 WeakPolarHBondContact O-CG 3.35Å; E341-Q345 PolarHBondContact O-NE2 2.9Å; L342-Q345 PolarHBondContact O-N 3.43Å; V343-Q345 PolarHBondContact O-N 3.08Å; V343-Q345 VanDerWaalsContact O-N 3.14Å; Q345-I347 HydrophobicContact CB-CG1 4.2Å; Q345-I347 PolarHBondContact O-N 3.25Å
346	D	92.9	Very high	96	Very high	66 Å²	66	53.6 Å²	53.6	35%	0.353	26%	0.264	S	S	.	.			trans	-69.7	110.2	169.1	165	58.3	0	0	0	110.3	K319 Q348	K319-D346 WeakPolarHBondContact CE-O 3.48Å; K319-D346 PolarHBondContact NZ-O 2.81Å; K319-D346 IonicContact NZ-OD2 3.57Å; K319-D346 PolarHBondContact NZ-OD2 3.26Å; D346-Q348 WeakPolarHBondContact OD1-CG 3.41Å; D346-Q348 PolarHBondContact OD1-NE2 3.08Å
347	I	94.6	Very high	96	Very high	18 Å²	18	46.6 Å²	46.6	9%	0.092	23%	0.233	C	C	.	.			trans	-129.8	86.2	178.3	-57.4	-67.6	0	0	0	108.2	Y312 M315 L316 K319 Q345 A355 F356	Y312-I347 HydrophobicContact CD1-CG2 3.99Å; Y312-I347 HydrophobicContact CG-CG2 4.45Å; M315-I347 HydrophobicContact CB-CD1 4.09Å; M315-I347 HydrophobicContact CE-CG2 4.39Å; L316-I347 HydrophobicContact CB-CD1 4.22Å; L316-I347 HydrophobicContact CB-CG1 4.4Å; L316-I347 HydrophobicContact CD1-CG1 4.24Å; K319-I347 HydrophobicContact CD-CD1 4.05Å; K319-I347 HydrophobicContact CG-CD1 4.49Å; Q345-I347 HydrophobicContact CB-CG1 4.2Å; Q345-I347 PolarHBondContact O-N 3.25Å; I347-A355 HydrophobicContact CG2-CB 4.14Å; I347-F356 HydrophobicContact CB-CE2 4.02Å; I347-F356 HydrophobicContact CG1-CE2 4.22Å; I347-F356 HydrophobicContact CG2-CE2 3.88Å; I347-F356 HydrophobicContact CG2-CZ 4.22Å
348	Q	92.4	Very high	96	Very high	112 Å²	112	44.4 Å²	44.4	52%	0.523	22%	0.223	S	C	.	.			trans	-74.4	126.9	-178.5	-63.5	-58.2	-39.1	0	0	112	D346	D346-Q348 WeakPolarHBondContact OD1-CG 3.41Å; D346-Q348 PolarHBondContact OD1-NE2 3.08Å
349	P	93.9	Very high	96.1	Very high	45 Å²	45	40.8 Å²	40.8	29%	0.292	20%	0.2	S	C	.	.			trans	-78.9	-176.8	169.3	33.5	-33.7	0	0	0	111.9	Y312 H353 A355	Y312-P349 HydrophobicContact CE1-CB 4.39Å; P349-H353 WeakPolarHBondContact CB-O 3.46Å; P349-H353 WeakPolarHBondContact CG-O 3.39Å; P349-A355 HydrophobicContact CB-CB 4.08Å; P349-A355 HydrophobicContact CG-CB 4.4Å
350	A	93.1	Very high	96.1	Very high	44 Å²	44	40.2 Å²	40.2	36%	0.364	20%	0.201	S	C	.	.	S	Bend	trans	-64.9	152.7	160	0	0	0	0	0	110.2	Y352 H353	A350-Y352 PolarHBondContact O-N 2.92Å; A350-H353 HydrophobicContact CB-CB 4.34Å; A350-H353 PolarHBondContact O-N 3.46Å; A350-H353 VanDerWaalsContact O-N 3.15Å
351	R	91.4	Very high	96.1	Very high	108 Å²	108	36.6 Å²	36.6	41%	0.408	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	141.4	-179.9	-157.2	179.2	-179.5	-170.9	-2.9	110	H353 N417 N421	R351-H353 PolarHBondContact O-N 2.95Å; R351-H353 PolarHBondContact O-ND1 3.4Å; R351-N417 PolarHBondContact NH1-OD1 2.99Å; R351-N421 HydrophobicContact CB-CB 4.25Å; R351-N421 VanDerWaalsContact CB-OD1 3.3Å; R351-N421 WeakPolarHBondContact CB-OD1 3.08Å
352	Y	94.5	Very high	96	Very high	8 Å²	8	36 Å²	36	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	13.5	-176.4	-32.5	-61.9	0	0	0	115.7	S302 A350 F395 F418 N421 L422 F460	S302-Y352 CarbonylContact C-O 3.58Å; S302-Y352 WeakPolarHBondContact CB-O 3.39Å; S302-Y352 PolarHBondContact OG-O 2.82Å; A350-Y352 PolarHBondContact O-N 2.92Å; Y352-F395 WeakPolarHBondContact OH-CE2 3.11Å; Y352-F418 HydrophobicContact CD2-CD2 4.45Å; Y352-F418 AromaticContact CE2-CD2 3.86Å; Y352-F418 HydrophobicContact CE2-CD2 3.86Å; Y352-F418 HydrophobicContact CE2-CE2 4.43Å; Y352-F418 AromaticContact CZ-CD2 3.98Å; Y352-N421 HydrophobicContact CD2-CB 3.87Å; Y352-N421 HydrophobicContact CE2-CB 3.74Å; Y352-L422 HydrophobicContact CD2-CD1 4.24Å; Y352-L422 HydrophobicContact CD2-CD2 4.34Å; Y352-L422 HydrophobicContact CD2-CG 4.02Å; Y352-F460 AromaticContact CD1-CE2 3.58Å; Y352-F460 HydrophobicContact CD1-CE2 3.58Å; Y352-F460 AromaticContact CD1-CZ 3.76Å; Y352-F460 HydrophobicContact CD1-CZ 3.76Å; Y352-F460 HydrophobicContact CE1-CD2 4.5Å; Y352-F460 AromaticContact CE1-CE2 3.4Å; Y352-F460 HydrophobicContact CE1-CE2 3.4Å; Y352-F460 VanDerWaalsContact CE1-CE2 3.4Å; Y352-F460 AromaticContact CE1-CZ 3.84Å; Y352-F460 HydrophobicContact CE1-CZ 3.84Å; Y352-F460 HydrophobicContact CG-CE2 4.36Å
353	H	95.9	Very high	95.9	Very high	56 Å²	56	37.9 Å²	37.9	26%	0.259	21%	0.209	S	C	.	.	S	Bend	trans	-122.5	165.7	173.8	-61.2	82.5	0	0	0	109.8	S302 P349 A350 R351 N421	S302-H353 PolarHBondContact O-CD2 3.24Å; P349-H353 WeakPolarHBondContact CB-O 3.46Å; P349-H353 WeakPolarHBondContact CG-O 3.39Å; A350-H353 HydrophobicContact CB-CB 4.34Å; A350-H353 PolarHBondContact O-N 3.46Å; A350-H353 VanDerWaalsContact O-N 3.15Å; R351-H353 PolarHBondContact O-N 2.95Å; R351-H353 PolarHBondContact O-ND1 3.4Å; H353-N421 PolarHBondContact CE1-O 3.39Å
354	I	96.4	Very high	95.9	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.056	20%	0.203	C	C	.	.			trans	-105.8	154.7	179	47.3	159.3	0	0	0	112.6	M130 Y184 W303	M130-I354 HydrophobicContact CE-CG2 3.92Å; Y184-I354 HydrophobicContact CD2-CD1 3.96Å; Y184-I354 HydrophobicContact CD2-CG2 4.43Å; Y184-I354 HydrophobicContact CE2-CD1 3.86Å; W303-I354 HydrophobicContact CB-CG2 4.14Å; W303-I354 WeakPolarHBondContact O-CD1 3.27Å; W303-I354 WeakPolarHBondContact O-CG1 3.34Å; W303-I354 WeakPolarHBondContact O-CG2 3.38Å
355	A	96.8	Very high	96	Very high	8 Å²	8	34.9 Å²	34.9	7%	0.066	19%	0.192	C	C	.	.	S	Bend	trans	-95.6	-44.6	174.4	0	0	0	0	0	112.4	Y312 I347 P349	Y312-A355 HydrophobicContact CD1-CB 4.04Å; Y312-A355 HydrophobicContact CD2-CB 4.08Å; Y312-A355 WeakPolarHBondContact CD2-O 3.49Å; Y312-A355 HydrophobicContact CE1-CB 4.45Å; Y312-A355 HydrophobicContact CE2-CB 4.46Å; Y312-A355 HydrophobicContact CG-CB 3.86Å; I347-A355 HydrophobicContact CG2-CB 4.14Å; P349-A355 HydrophobicContact CB-CB 4.08Å; P349-A355 HydrophobicContact CG-CB 4.4Å
356	F	98.4	Very high	96	Very high	6 Å²	6	35 Å²	35	3%	0.026	20%	0.198	C	C	.	.	S	Bend	trans	-130	117.6	176	-56.3	-73.9	0	0	0	108.5	M185 V214 F217 L218 L316 I347	M185-F356 HydrophobicContact CE-CD2 4.44Å; M185-F356 HydrophobicContact SD-CB 4.04Å; M185-F356 HydrophobicContact SD-CD2 4.28Å; V214-F356 HydrophobicContact CG2-CD2 3.83Å; V214-F356 HydrophobicContact CG2-CE1 4.48Å; V214-F356 HydrophobicContact CG2-CE2 3.71Å; V214-F356 HydrophobicContact CG2-CG 4.29Å; V214-F356 HydrophobicContact CG2-CZ 4.06Å; F217-F356 HydrophobicContact CB-CB 4.22Å; L218-F356 HydrophobicContact CB-CD1 4.43Å; L218-F356 HydrophobicContact CB-CE1 4.47Å; L218-F356 HydrophobicContact CD1-CE1 4.41Å; L316-F356 HydrophobicContact CB-CZ 4.11Å; L316-F356 HydrophobicContact CD2-CZ 4.26Å; I347-F356 HydrophobicContact CB-CE2 4.02Å; I347-F356 HydrophobicContact CG1-CE2 4.22Å; I347-F356 HydrophobicContact CG2-CE2 3.88Å; I347-F356 HydrophobicContact CG2-CZ 4.22Å
357	G	98.4	Very high	96.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-177.3	-168.9	178	0	0	0	0	0	108.7	F217	F217-G357 VanDerWaalsContact CB-N 3.27Å; F217-G357 WeakPolarHBondContact CB-O 3.41Å; F217-G357 VanDerWaalsContact CG-CA 3.42Å
358	P	98.9	Very high	96.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.			trans	-49.1	143.1	-179.6	-30.5	38.2	0	0	0	113.7	Y184 F217 N228 L231 L269 V305 S306	Y184-P358 HydrophobicContact CD1-CG 4.4Å; Y184-P358 HydrophobicContact CE1-CG 3.81Å; Y184-P358 VanDerWaalsContact CE2-CD 3.41Å; Y184-P358 HydrophobicContact CE2-CG 4.2Å; F217-P358 HydrophobicContact CE1-CG 4.05Å; N228-P358 WeakPolarHBondContact OD1-CA 3.06Å; L231-P358 HydrophobicContact CD1-CB 4.13Å; L231-P358 HydrophobicContact CD1-CG 4.28Å; L231-P358 HydrophobicContact CD2-CG 4.44Å; L231-P358 HydrophobicContact CG-CG 4.48Å; L269-P358 HydrophobicContact CD1-CB 3.61Å; L269-P358 HydrophobicContact CD1-CG 3.5Å; V305-P358 CarbonylContact C-O 3.54Å; V305-P358 WeakPolarHBondContact CA-O 3.46Å; S306-P358 PolarHBondContact N-O 3.29Å
359	V	98.8	Very high	96.6	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	18%	0.181	C	C	.	.			trans	-130	152.8	179.4	-63.6	0	0	0	0	110.3	K226 N228 P309 D361 I365	K226-V359 WeakPolarHBondContact O-CG2 3.34Å; N228-V359 PolarHBondContact ND2-O 2.82Å; N228-V359 PolarHBondContact OD1-N 3.26Å; N228-V359 PolarHBondContact OD1-O 3.01Å; P309-V359 HydrophobicContact CB-CG1 3.81Å; P309-V359 HydrophobicContact CG-CG1 3.93Å; V359-D361 HydrophobicContact CG2-CB 4.29Å; V359-D361 PolarHBondContact O-N 3.32Å; V359-I365 WeakPolarHBondContact O-CB 3.41Å
360	I	98.8	Very high	96.7	Very high	63 Å²	63	32.3 Å²	32.3	32%	0.323	18%	0.183	S	C	.	.			trans	-77.9	101.2	166.4	-55.8	162.8	0	0	0	106.5	V305 F307 I365 D368	V305-I360 HydrophobicContact CG1-CG1 4.22Å; F307-I360 HydrophobicContact CD1-CD1 4.23Å; F307-I360 HydrophobicContact CE1-CD1 3.76Å; I360-I365 HydrophobicContact CG1-CG2 4.28Å; I360-D368 HydrophobicContact CD1-CB 4.03Å
361	D	97.9	Very high	96.9	Very high	33 Å²	33	33.1 Å²	33.1	18%	0.176	18%	0.18	C	C	.	.			trans	-100.7	-5	-178.4	63	-13.3	0	0	0	113.3	N228 V359 D363 V364 I365	N228-D361 PolarHBondContact ND2-OD1 3.25Å; N228-D361 PolarHBondContact ND2-OD2 3.27Å; N228-D361 VanDerWaalsContact ND2-OD2 3.07Å; V359-D361 HydrophobicContact CG2-CB 4.29Å; V359-D361 PolarHBondContact O-N 3.32Å; D361-D363 PolarHBondContact O-N 3.28Å; D361-D363 PolarHBondContact OD1-N 3.23Å; D361-D363 VanDerWaalsContact OD1-N 3.12Å; D361-V364 PolarHBondContact OD1-N 3.26Å; D361-V364 WeakPolarHBondContact OD2-CB 3.16Å; D361-V364 WeakPolarHBondContact OD2-CG2 3.5Å; D361-V364 PolarHBondContact OD2-N 3.16Å; D361-I365 PolarHBondContact N-O 2.84Å; D361-I365 PolarHBondContact OD1-N 2.83Å
362	G	96.9	Very high	97.1	Very high	55 Å²	55	28.3 Å²	28.3	57%	0.567	16%	0.162	S	C	*	.	S	Bend	trans	72.9	17.5	-175.9	0	0	0	0	0	113.3	I365	G362-I365 PolarHBondContact N-O 2.92Å; G362-I365 VanDerWaalsContact N-O 3.13Å
363	D	95.3	Very high	97.1	Very high	41 Å²	41	28.3 Å²	28.3	22%	0.219	16%	0.163	C	C	.	.	S	Bend	trans	-144	-75.5	-170.9	-163.4	3.8	0	0	0	110.8	K226 H274 Y275 D361	K226-D363 IonicContact NZ-OD2 3.42Å; K226-D363 PolarHBondContact NZ-OD2 2.77Å; H274-D363 PolarHBondContact CE1-O 3.18Å; H274-D363 IonicContact CE1-OD1 2.68Å; H274-D363 PolarHBondContact ND1-O 2.83Å; Y275-D363 PolarHBondContact OH-OD1 2.86Å; D361-D363 PolarHBondContact O-N 3.28Å; D361-D363 PolarHBondContact OD1-N 3.23Å; D361-D363 VanDerWaalsContact OD1-N 3.12Å
364	V	96.5	Very high	97	Very high	3 Å²	3	31 Å²	31	2%	0.018	18%	0.175	C	C	.	.	S	Bend	trans	-70.4	-41.5	174.3	-177	0	0	0	0	110.6	N228 L231 L232 I235 S273 Y275 D361	N228-V364 HydrophobicContact CB-CB 4.07Å; N228-V364 HydrophobicContact CB-CG1 4.18Å; N228-V364 HydrophobicContact CB-CG2 4.21Å; L231-V364 HydrophobicContact CB-CG1 4.29Å; L231-V364 HydrophobicContact CD1-CG1 4.4Å; L232-V364 HydrophobicContact CD1-CG2 4.15Å; L232-V364 HydrophobicContact CD2-CG2 3.72Å; L232-V364 HydrophobicContact CG-CG2 3.94Å; I235-V364 HydrophobicContact CD1-CG1 4.26Å; S273-V364 VanDerWaalsContact CB-O 3.24Å; S273-V364 WeakPolarHBondContact CB-O 3.2Å; S273-V364 PolarHBondContact OG-O 3.21Å; Y275-V364 HydrophobicContact CD2-CB 4.45Å; Y275-V364 HydrophobicContact CD2-CG2 4.17Å; Y275-V364 HydrophobicContact CE2-CG2 3.91Å; D361-V364 PolarHBondContact OD1-N 3.26Å; D361-V364 WeakPolarHBondContact OD2-CB 3.16Å; D361-V364 WeakPolarHBondContact OD2-CG2 3.5Å; D361-V364 PolarHBondContact OD2-N 3.16Å
365	I	98.1	Very high	96.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.198	C	C	.	.	S	Bend	trans	-120.3	100	171.8	-57	-60.8	0	0	0	106.7	L231 L269 V359 I360 D361 G362 D367	L231-I365 HydrophobicContact CD1-CD1 4.1Å; L231-I365 HydrophobicContact CD1-CG1 4.13Å; L269-I365 HydrophobicContact CB-CD1 4.05Å; L269-I365 HydrophobicContact CD2-CD1 3.87Å; L269-I365 HydrophobicContact CD2-CG1 4.48Å; V359-I365 WeakPolarHBondContact O-CB 3.41Å; I360-I365 HydrophobicContact CG1-CG2 4.28Å; D361-I365 PolarHBondContact N-O 2.84Å; D361-I365 PolarHBondContact OD1-N 2.83Å; G362-I365 PolarHBondContact N-O 2.92Å; G362-I365 VanDerWaalsContact N-O 3.13Å; I365-D367 WeakPolarHBondContact CG2-O 3.42Å; I365-D367 PolarHBondContact O-N 2.96Å
366	P	95.9	Very high	96.4	Very high	54 Å²	54	36.5 Å²	36.5	35%	0.351	20%	0.204	S	C	.	.			trans	-67	-34.4	-168.3	-25.9	35.6	0	0	0	115.7	L372	P366-L372 HydrophobicContact CB-CD2 4.39Å
367	D	98.1	Very high	95.8	Very high	70 Å²	70	41.8 Å²	41.8	37%	0.374	23%	0.229	S	C	.	.	S	Bend	trans	-151.6	-175.5	-179.1	-153.4	-18.1	0	0	0	109.2	I365 L372	I365-D367 WeakPolarHBondContact CG2-O 3.42Å; I365-D367 PolarHBondContact O-N 2.96Å; D367-L372 HydrophobicContact CB-CD2 3.97Å; D367-L372 HydrophobicContact CB-CG 4.24Å; D367-L372 WeakPolarHBondContact O-CD1 3.34Å
368	D	97.9	Very high	95	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.241	24%	0.235	C	C	.	.			trans	-56.4	131.1	174.5	-167.8	-63.2	0	0	0	111.5	F307 I360 Q370 I371 L372	F307-D368 WeakPolarHBondContact CE1-OD2 3.4Å; I360-D368 HydrophobicContact CD1-CB 4.03Å; D368-Q370 PolarHBondContact O-N 2.85Å; D368-Q370 VanDerWaalsContact O-N 3.09Å; D368-Q370 VanDerWaalsContact OD1-CB 3.31Å; D368-Q370 WeakPolarHBondContact OD1-CB 3.42Å; D368-Q370 PolarHBondContact OD1-N 3.26Å; D368-I371 HydrophobicContact CB-CB 4.33Å; D368-I371 HydrophobicContact CB-CD1 3.94Å; D368-I371 HydrophobicContact CB-CG1 4.04Å; D368-I371 WeakPolarHBondContact O-CA 3.3Å; D368-I371 WeakPolarHBondContact O-CB 3.37Å; D368-I371 PolarHBondContact O-N 3.01Å; D368-L372 PolarHBondContact O-N 2.94Å
369	P	97.9	Very high	93.9	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-53.3	-29.2	178	-30.2	37.6	0	0	0	115.6	L269 L272 A299 L300 V305 M373	L269-P369 HydrophobicContact CD2-CG 3.86Å; L272-P369 HydrophobicContact CD1-CB 3.8Å; A299-P369 HydrophobicContact CB-CB 3.66Å; A299-P369 HydrophobicContact CB-CG 4.13Å; L300-P369 HydrophobicContact CD2-CB 4.05Å; V305-P369 HydrophobicContact CG2-CG 3.99Å; P369-M373 WeakPolarHBondContact O-CB 3.17Å; P369-M373 WeakPolarHBondContact O-CG 3.44Å; P369-M373 PolarHBondContact O-N 2.8Å
370	Q	95.8	Very high	93.2	Very high	69 Å²	69	50 Å²	50	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-47.4	172.4	-178.9	65.5	27.5	0	0	110.6	L300 D368 M373 E374	L300-Q370 HydrophobicContact CD2-CB 4.1Å; D368-Q370 PolarHBondContact O-N 2.85Å; D368-Q370 VanDerWaalsContact O-N 3.09Å; D368-Q370 VanDerWaalsContact OD1-CB 3.31Å; D368-Q370 WeakPolarHBondContact OD1-CB 3.42Å; D368-Q370 PolarHBondContact OD1-N 3.26Å; Q370-M373 PolarHBondContact O-N 3.25Å; Q370-E374 PolarHBondContact NE2-OE1 2.85Å; Q370-E374 WeakPolarHBondContact O-CB 3.19Å; Q370-E374 WeakPolarHBondContact O-CG 3.25Å; Q370-E374 PolarHBondContact O-N 3.13Å
371	I	97.1	Very high	92.9	Very high	60 Å²	60	47.3 Å²	47.3	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-43.3	179.5	-63.7	176.2	0	0	0	110.4	D368 E374 Q375	D368-I371 HydrophobicContact CB-CB 4.33Å; D368-I371 HydrophobicContact CB-CD1 3.94Å; D368-I371 HydrophobicContact CB-CG1 4.04Å; D368-I371 WeakPolarHBondContact O-CA 3.3Å; D368-I371 WeakPolarHBondContact O-CB 3.37Å; D368-I371 PolarHBondContact O-N 3.01Å; I371-E374 PolarHBondContact O-N 3.03Å; I371-Q375 HydrophobicContact CG2-CG 4.48Å; I371-Q375 WeakPolarHBondContact O-CB 3.26Å; I371-Q375 VanDerWaalsContact O-CG 3.31Å; I371-Q375 WeakPolarHBondContact O-CG 3.29Å; I371-Q375 PolarHBondContact O-N 3.41Å
372	L	95.3	Very high	92.9	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-42.1	177.3	-61.8	175.8	0	0	0	112	L272 P366 D367 D368 G376 E377	L272-L372 HydrophobicContact CB-CD1 4.12Å; L272-L372 HydrophobicContact CD2-CB 3.86Å; P366-L372 HydrophobicContact CB-CD2 4.39Å; D367-L372 HydrophobicContact CB-CD2 3.97Å; D367-L372 HydrophobicContact CB-CG 4.24Å; D367-L372 WeakPolarHBondContact O-CD1 3.34Å; D368-L372 PolarHBondContact O-N 2.94Å; L372-G376 PolarHBondContact O-N 3.4Å; L372-G376 VanDerWaalsContact O-N 3.11Å; L372-E377 HydrophobicContact CB-CB 4.42Å; L372-E377 HydrophobicContact CD2-CB 4.11Å; L372-E377 PolarHBondContact O-N 2.96Å
373	M	94.4	Very high	93	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.034	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-33.8	175.5	-71.8	-168.6	-175.9	0	0	113.2	N268 L272 A299 L300 P369 Q370 T472 L475 F479	N268-M373 HydrophobicContact CB-CE 4.43Å; L272-M373 HydrophobicContact CD1-CE 3.95Å; L272-M373 HydrophobicContact CD1-CG 4.26Å; L272-M373 HydrophobicContact CD2-CG 3.77Å; A299-M373 HydrophobicContact CB-CE 4.34Å; L300-M373 HydrophobicContact CD1-SD 3.91Å; L300-M373 HydrophobicContact CD2-SD 4.18Å; L300-M373 HydrophobicContact CG-SD 4.16Å; P369-M373 WeakPolarHBondContact O-CB 3.17Å; P369-M373 WeakPolarHBondContact O-CG 3.44Å; P369-M373 PolarHBondContact O-N 2.8Å; Q370-M373 PolarHBondContact O-N 3.25Å; M373-T472 HydrophobicContact CE-CG2 3.8Å; M373-T472 HydrophobicContact SD-CG2 4.02Å; M373-L475 HydrophobicContact CB-CB 4.36Å; M373-L475 HydrophobicContact CB-CD1 3.63Å; M373-F479 WeakPolarHBondContact O-CE2 3.21Å
374	E	94.1	Very high	93.1	Very high	112 Å²	112	43 Å²	43	52%	0.523	22%	0.221	S	C	.	.	H	α-helix	trans	-69.5	-35	175.1	-79.3	179.4	-164.7	0	0	113.1	Q370 I371 L475	Q370-E374 PolarHBondContact NE2-OE1 2.85Å; Q370-E374 WeakPolarHBondContact O-CB 3.19Å; Q370-E374 WeakPolarHBondContact O-CG 3.25Å; Q370-E374 PolarHBondContact O-N 3.13Å; I371-E374 PolarHBondContact O-N 3.03Å; E374-L475 HydrophobicContact CG-CD2 4.32Å
375	Q	92.6	Very high	93.2	Very high	116 Å²	116	43 Å²	43	54%	0.542	22%	0.221	S	C	.	.	H	α-helix	trans	-78.9	-22.6	177.2	-69.3	178	22.1	0	0	112.9	I371 E377	I371-Q375 HydrophobicContact CG2-CG 4.48Å; I371-Q375 WeakPolarHBondContact O-CB 3.26Å; I371-Q375 VanDerWaalsContact O-CG 3.31Å; I371-Q375 WeakPolarHBondContact O-CG 3.29Å; I371-Q375 PolarHBondContact O-N 3.41Å; Q375-E377 HydrophobicContact CB-CG 3.92Å
376	G	88.3	Confident	93.3	Very high	19 Å²	19	43 Å²	43	20%	0.196	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	22.6	-175	0	0	0	0	0	113.5	L372 F378 F479	L372-G376 PolarHBondContact O-N 3.4Å; L372-G376 VanDerWaalsContact O-N 3.11Å; G376-F378 PolarHBondContact O-N 3.4Å; G376-F479 VanDerWaalsContact CA-CZ 3.42Å
377	E	84.9	Confident	93.4	Very high	117 Å²	117	40.4 Å²	40.4	55%	0.547	21%	0.205	S	C	.	.			trans	-78.6	58.5	-179.5	-64.9	-64.1	146.9	0	0	111	L372 Q375	L372-E377 HydrophobicContact CB-CB 4.42Å; L372-E377 HydrophobicContact CD2-CB 4.11Å; L372-E377 PolarHBondContact O-N 2.96Å; Q375-E377 HydrophobicContact CB-CG 3.92Å
378	F	80.8	Confident	93.5	Very high	28 Å²	28	37.1 Å²	37.1	12%	0.123	19%	0.187	C	C	.	.	S	Bend	trans	-142.5	146.5	170.7	50.2	-94.5	0	0	0	109.4	T271 L272 G376 H476 F479	T271-F378 WeakPolarHBondContact O-CB 3.29Å; L272-F378 HydrophobicContact CD2-CB 4.12Å; L272-F378 HydrophobicContact CD2-CD1 4.09Å; G376-F378 PolarHBondContact O-N 3.4Å; F378-H476 AromaticContact CD2-CD2 3.82Å; F378-H476 AromaticContact CE2-CD2 3.41Å; F378-H476 VanDerWaalsContact CE2-CD2 3.41Å; F378-H476 WeakPolarHBondContact CE2-CD2 3.18Å; F378-F479 HydrophobicContact CE1-CD2 4.12Å; F378-F479 HydrophobicContact CE2-CB 4.22Å; F378-F479 HydrophobicContact CZ-CB 4Å; F378-F479 AromaticContact CZ-CD2 3.64Å; F378-F479 HydrophobicContact CZ-CD2 3.64Å; F378-F479 HydrophobicContact CZ-CE2 4.47Å; F378-F479 HydrophobicContact CZ-CG 4.04Å
379	L	77.3	Confident	93.5	Very high	39 Å²	39	37 Å²	37	20%	0.204	19%	0.185	C	C	.	.			trans	-64.5	152	171.3	-58.3	-174.7	0	0	0	110.4	E277 Y381	E277-L379 HydrophobicContact CG-CD1 4.17Å; E277-L379 HydrophobicContact CG-CD2 4.13Å; E277-L379 HydrophobicContact CG-CG 4.28Å; L379-Y381 HydrophobicContact CB-CD2 4.11Å; L379-Y381 HydrophobicContact CB-CE1 4.19Å; L379-Y381 HydrophobicContact CB-CE2 3.64Å; L379-Y381 HydrophobicContact CD1-CE1 4.35Å; L379-Y381 HydrophobicContact CG-CE2 4.38Å; L379-Y381 WeakPolarHBondContact O-CD2 3.44Å; L379-Y381 PolarHBondContact O-N 3.31Å
380	N	83.5	Confident	93.5	Very high	109 Å²	109	37 Å²	37	58%	0.583	19%	0.185	S	C	*	.			trans	-73.3	77.1	175.9	-162.5	-50.1	0	0	0	110.6	S481	N380-S481 VanDerWaalsContact CG-OG 3.31Å; N380-S481 PolarHBondContact ND2-OG 3.49Å; N380-S481 PolarHBondContact OD1-OG 3.16Å
381	Y	92.7	Very high	93.6	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.024	17%	0.171	C	C	.	.			trans	-80.4	157.5	173.6	-57.1	-77.3	0	0	0	110.5	T271 F289 L379 H476	T271-Y381 HydrophobicContact CG2-CD2 3.55Å; T271-Y381 HydrophobicContact CG2-CE2 3.61Å; T271-Y381 HydrophobicContact CG2-CG 4.26Å; F289-Y381 AromaticContact CD2-CD1 3.92Å; F289-Y381 HydrophobicContact CD2-CD1 3.92Å; F289-Y381 AromaticContact CD2-CE1 3.72Å; F289-Y381 HydrophobicContact CD2-CE1 3.72Å; F289-Y381 HydrophobicContact CE1-CE1 4.39Å; F289-Y381 AromaticContact CE2-CD1 3.73Å; F289-Y381 HydrophobicContact CE2-CD1 3.73Å; F289-Y381 AromaticContact CE2-CE1 3.43Å; F289-Y381 HydrophobicContact CE2-CE1 3.43Å; F289-Y381 VanDerWaalsContact CE2-CE1 3.43Å; F289-Y381 HydrophobicContact CE2-CE2 4.36Å; F289-Y381 HydrophobicContact CE2-CG 4.3Å; F289-Y381 AromaticContact CE2-CZ 3.78Å; F289-Y381 HydrophobicContact CG-CE1 4.32Å; F289-Y381 AromaticContact CZ-CE1 3.81Å; F289-Y381 HydrophobicContact CZ-CE1 3.81Å; F289-Y381 HydrophobicContact CZ-CE2 4.38Å; F289-Y381 AromaticContact CZ-CZ 3.73Å; L379-Y381 HydrophobicContact CB-CD2 4.11Å; L379-Y381 HydrophobicContact CB-CE1 4.19Å; L379-Y381 HydrophobicContact CB-CE2 3.64Å; L379-Y381 HydrophobicContact CD1-CE1 4.35Å; L379-Y381 HydrophobicContact CG-CE2 4.38Å; L379-Y381 WeakPolarHBondContact O-CD2 3.44Å; L379-Y381 PolarHBondContact O-N 3.31Å; Y381-H476 PolarHBondContact O-CE1 3.41Å; Y381-H476 VanDerWaalsContact O-CE1 3.27Å; Y381-H476 PolarHBondContact O-NE2 3.3Å
382	D	97.4	Very high	93.6	Very high	34 Å²	34	31.1 Å²	31.1	18%	0.182	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.7	156.7	-51	-52.9	0	0	0	107.9	Q290 R291 A292 P482 F546 G550	Q290-D382 PolarHBondContact O-N 3.36Å; R291-D382 CarbonylContact C-O 3.52Å; R291-D382 WeakPolarHBondContact CA-O 3.35Å; R291-D382 HydrophobicContact CB-CB 4.2Å; R291-D382 WeakPolarHBondContact CB-O 3.42Å; R291-D382 VanDerWaalsContact CD-OD2 3.24Å; R291-D382 WeakPolarHBondContact CD-OD2 3.49Å; R291-D382 HydrophobicContact CG-CB 3.78Å; R291-D382 WeakPolarHBondContact CG-OD2 3.43Å; R291-D382 IonicContact CZ-OD2 2.7Å; R291-D382 IonicContact NE-OD2 3.53Å; R291-D382 PolarHBondContact NE-OD2 3.29Å; A292-D382 PolarHBondContact N-O 3.16Å; D382-P482 HydrophobicContact CB-CB 4.32Å; D382-P482 WeakPolarHBondContact OD1-CB 3.32Å; D382-P482 VanDerWaalsContact OD1-CG 3.23Å; D382-P482 WeakPolarHBondContact OD1-CG 3.47Å; D382-F546 HydrophobicContact CB-CE2 3.75Å; D382-F546 HydrophobicContact CB-CZ 3.65Å; D382-G550 VanDerWaalsContact OD2-CA 3.24Å; D382-G550 WeakPolarHBondContact OD2-CA 3.4Å
383	I	98.4	Very high	93.7	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.7	175	-56.9	-168.8	0	0	0	112.2	T271 A292 L385 H476 P482 T483 Y484	T271-I383 HydrophobicContact CG2-CD1 4.32Å; A292-I383 HydrophobicContact CB-CD1 4.41Å; A292-I383 HydrophobicContact CB-CG1 4.12Å; A292-I383 WeakPolarHBondContact O-CA 3.44Å; I383-L385 HydrophobicContact CG2-CB 4.43Å; I383-L385 HydrophobicContact CG2-CD2 3.9Å; I383-H476 VanDerWaalsContact CD1-NE2 3.35Å; I383-H476 WeakPolarHBondContact CD1-NE2 3.12Å; I383-H476 WeakPolarHBondContact CG1-CE1 3.37Å; I383-H476 WeakPolarHBondContact CG1-NE2 3.3Å; I383-P482 PolarHBondContact N-O 2.89Å; I383-T483 CarbonylContact O-C 3.57Å; I383-T483 VanDerWaalsContact O-CA 3.27Å; I383-T483 WeakPolarHBondContact O-CA 3.23Å; I383-Y484 PolarHBondContact O-N 2.71Å
384	M	98.9	Very high	93.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.6	162	177	-169.8	-66.9	0	0	108.3	A292 I293 A294 Y484 Y486 W543 F546 P552 W575	A292-M384 PolarHBondContact O-N 3.49Å; I293-M384 CarbonylContact C-O 3.54Å; I293-M384 VanDerWaalsContact CA-O 3.23Å; I293-M384 WeakPolarHBondContact CA-O 3.45Å; I293-M384 HydrophobicContact CB-CB 4.49Å; I293-M384 HydrophobicContact CD1-SD 4.36Å; I293-M384 HydrophobicContact CG1-CB 4.25Å; I293-M384 HydrophobicContact CG2-CB 4.06Å; I293-M384 HydrophobicContact CG2-CG 4.02Å; I293-M384 HydrophobicContact CG2-SD 3.82Å; A294-M384 PolarHBondContact N-O 3.07Å; M384-Y484 CarbonylContact C-O 3.54Å; M384-Y484 WeakPolarHBondContact CA-O 3.44Å; M384-Y486 HydrophobicContact CG-CD1 4.48Å; M384-W543 HydrophobicContact SD-CD2 3.95Å; M384-W543 HydrophobicContact SD-CE3 3.9Å; M384-W543 HydrophobicContact SD-CH2 4.23Å; M384-W543 HydrophobicContact SD-CZ2 4.27Å; M384-W543 HydrophobicContact SD-CZ3 4.05Å; M384-F546 HydrophobicContact CB-CD1 4.23Å; M384-F546 HydrophobicContact CB-CE1 3.94Å; M384-F546 HydrophobicContact CB-CE2 4.26Å; M384-F546 HydrophobicContact CB-CZ 3.94Å; M384-F546 HydrophobicContact CE-CB 3.65Å; M384-F546 HydrophobicContact CE-CD1 4.23Å; M384-F546 HydrophobicContact CE-CD2 4.15Å; M384-F546 HydrophobicContact CE-CG 3.76Å; M384-P552 HydrophobicContact CE-CB 3.77Å; M384-P552 HydrophobicContact CE-CG 4.32Å; M384-W575 HydrophobicContact CE-CE3 4.41Å; M384-W575 HydrophobicContact CE-CH2 3.67Å; M384-W575 HydrophobicContact CE-CZ2 4.48Å; M384-W575 HydrophobicContact CE-CZ3 3.63Å; M384-W575 HydrophobicContact CG-CH2 3.68Å; M384-W575 HydrophobicContact CG-CZ2 4.04Å; M384-W575 HydrophobicContact SD-CH2 3.49Å; M384-W575 WeakPolarHBondContact SD-CH2 3.48Å; M384-W575 HydrophobicContact SD-CZ2 4.41Å; M384-W575 HydrophobicContact SD-CZ3 3.93Å
385	L	98.8	Very high	93.8	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	163.7	175.7	71.5	106.4	0	0	0	111.9	A294 I383 A469 T472 A473 T483 Y484 F485 Y486	A294-L385 HydrophobicContact CB-CB 4.12Å; A294-L385 VanDerWaalsContact O-CA 3.27Å; A294-L385 WeakPolarHBondContact O-CA 3.28Å; A294-L385 WeakPolarHBondContact O-CB 3.37Å; I383-L385 HydrophobicContact CG2-CB 4.43Å; I383-L385 HydrophobicContact CG2-CD2 3.9Å; L385-A469 HydrophobicContact CD1-CB 3.86Å; L385-A469 WeakPolarHBondContact CD1-O 3.24Å; L385-T472 HydrophobicContact CD2-CG2 4.23Å; L385-A473 HydrophobicContact CD1-CB 4.28Å; L385-A473 HydrophobicContact CD2-CB 4.07Å; L385-T483 HydrophobicContact CD2-CG2 4.44Å; L385-Y484 PolarHBondContact N-O 3.5Å; L385-F485 HydrophobicContact CD1-CD2 3.64Å; L385-F485 HydrophobicContact CD1-CE2 3.51Å; L385-F485 HydrophobicContact CG-CD2 4.19Å; L385-F485 CarbonylContact O-C 3.51Å; L385-F485 VanDerWaalsContact O-CA 3.27Å; L385-F485 WeakPolarHBondContact O-CA 3.24Å; L385-Y486 VanDerWaalsContact O-CD1 3.31Å; L385-Y486 WeakPolarHBondContact O-CD1 3.32Å; L385-Y486 PolarHBondContact O-N 3.03Å
386	G	98.8	Very high	94	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	-178.5	179.1	0	0	0	0	0	113.7	A294 S296 Y486	A294-G386 PolarHBondContact O-N 3.42Å; S296-G386 PolarHBondContact N-O 3.11Å; G386-Y486 WeakPolarHBondContact CA-O 3.38Å
387	V	98.9	Very high	94.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.7	-170.7	-66.4	0	0	0	0	111	E391 W465 V466 A469 F485 Y486 A487 F488 Y598	V387-E391 WeakPolarHBondContact CA-OE1 3.42Å; V387-W465 HydrophobicContact CG1-CB 3.99Å; V387-V466 HydrophobicContact CG2-CG2 4.21Å; V387-A469 HydrophobicContact CG1-CB 3.78Å; V387-F485 HydrophobicContact CG2-CE1 4.39Å; V387-F485 HydrophobicContact CG2-CZ 4.36Å; V387-Y486 PolarHBondContact N-O 3.35Å; V387-A487 CarbonylContact O-C 3.54Å; V387-A487 VanDerWaalsContact O-CA 3.29Å; V387-A487 WeakPolarHBondContact O-CA 3.33Å; V387-F488 PolarHBondContact O-N 3.46Å; V387-Y598 HydrophobicContact CG2-CD1 4.32Å; V387-Y598 HydrophobicContact CG2-CE1 3.56Å
388	N	98.9	Very high	94.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	159.8	176.9	-58.6	-13	0	0	0	110.3	G390 E391 F488 A503 A504 E508	N388-G390 VanDerWaalsContact C-N 3.27Å; N388-G390 PolarHBondContact O-N 3.01Å; N388-E391 HydrophobicContact CB-CG 4.38Å; N388-E391 PolarHBondContact N-OE1 2.97Å; N388-F488 HydrophobicContact CB-CB 4.41Å; N388-F488 WeakPolarHBondContact OD1-CB 3.41Å; N388-A503 HydrophobicContact CB-CB 4.44Å; N388-A504 PolarHBondContact ND2-O 3.09Å; N388-E508 PolarHBondContact ND2-OE2 3.42Å
389	Q	98.4	Very high	95.2	Very high	42 Å²	42	24.6 Å²	24.6	20%	0.196	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.8	-173.5	176.9	178.5	-10.7	0	0	113.6	F488 Y489 D502 A503	Q389-F488 WeakPolarHBondContact CB-O 3.25Å; Q389-F488 PolarHBondContact N-O 3.45Å; Q389-Y489 HydrophobicContact CB-CD1 4.09Å; Q389-Y489 HydrophobicContact CB-CD2 4.23Å; Q389-Y489 HydrophobicContact CB-CE1 4.09Å; Q389-Y489 HydrophobicContact CB-CE2 4.22Å; Q389-Y489 HydrophobicContact CB-CG 4.15Å; Q389-Y489 HydrophobicContact CG-CD1 3.83Å; Q389-Y489 HydrophobicContact CG-CE1 3.52Å; Q389-Y489 HydrophobicContact CG-CE2 4.42Å; Q389-Y489 HydrophobicContact CG-CG 4.39Å; Q389-D502 HydrophobicContact CB-CB 4.15Å; Q389-D502 HydrophobicContact CG-CB 3.72Å; Q389-D502 PolarHBondContact NE2-OD1 3.36Å; Q389-D502 PolarHBondContact NE2-OD2 2.86Å; Q389-A503 HydrophobicContact CB-CB 4.49Å; Q389-A503 PolarHBondContact N-O 2.93Å
390	G	97.6	Very high	96.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.3	43.5	-169	0	0	0	0	0	114	N388 G392 L393 L457 A503	N388-G390 VanDerWaalsContact C-N 3.27Å; N388-G390 PolarHBondContact O-N 3.01Å; G390-G392 PolarHBondContact O-N 3.47Å; G390-L393 PolarHBondContact O-N 3.02Å; G390-L457 VanDerWaalsContact CA-CD2 3.49Å; G390-A503 CarbonylContact C-O 3.55Å; G390-A503 WeakPolarHBondContact CA-O 3.18Å; G390-A503 PolarHBondContact N-O 2.77Å
391	E	98.5	Very high	96.6	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.019	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.8	-46.9	177.2	-54.7	-83.7	-168.8	0	0	113.1	S296 V387 N388 L393 T461 W465 H505	S296-E391 WeakPolarHBondContact CB-OE1 3.49Å; S296-E391 PolarHBondContact OG-OE1 3.34Å; S296-E391 PolarHBondContact OG-OE2 3.18Å; V387-E391 WeakPolarHBondContact CA-OE1 3.42Å; N388-E391 HydrophobicContact CB-CG 4.38Å; N388-E391 PolarHBondContact N-OE1 2.97Å; E391-L393 PolarHBondContact O-N 3.06Å; E391-T461 HydrophobicContact CB-CG2 3.98Å; E391-T461 HydrophobicContact CG-CG2 3.89Å; E391-W465 HydrophobicContact CB-CD2 3.48Å; E391-W465 VanDerWaalsContact CB-CD2 3.48Å; E391-W465 HydrophobicContact CB-CE3 3.38Å; E391-W465 HydrophobicContact CB-CG 4.08Å; E391-W465 HydrophobicContact CB-CH2 3.91Å; E391-W465 HydrophobicContact CB-CZ2 4.02Å; E391-W465 HydrophobicContact CB-CZ3 3.61Å; E391-W465 HydrophobicContact CG-CB 4.02Å; E391-W465 HydrophobicContact CG-CD2 3.76Å; E391-W465 HydrophobicContact CG-CE3 4.04Å; E391-W465 HydrophobicContact CG-CG 3.78Å; E391-H505 WeakPolarHBondContact OE2-CA 3.46Å; E391-H505 IonicContact OE2-CE1 2.68Å; E391-H505 IonicContact OE2-CG 3.86Å; E391-H505 IonicContact OE2-ND1 2.69Å; E391-H505 PolarHBondContact OE2-ND1 3.12Å
392	G	96.6	Very high	96.6	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.021	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	23.9	-174.1	0	0	0	0	0	117.3	G390 K394 F395 T461	G390-G392 PolarHBondContact O-N 3.47Å; G392-K394 VanDerWaalsContact C-N 3.33Å; G392-K394 PolarHBondContact O-N 3.26Å; G392-F395 WeakPolarHBondContact O-CB 3.43Å; G392-F395 PolarHBondContact O-N 3.09Å; G392-T461 PolarHBondContact N-OG1 3.25Å
393	L	97.4	Very high	96.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-49.2	-51.7	179.2	177.3	62	0	0	0	112.5	V133 G390 E391 F395 V396 E397 L457 V497 W500 A501 A504	V133-L393 HydrophobicContact CG1-CD2 4.32Å; V133-L393 HydrophobicContact CG2-CD2 4.25Å; G390-L393 PolarHBondContact O-N 3.02Å; E391-L393 PolarHBondContact O-N 3.06Å; L393-F395 PolarHBondContact O-N 3.13Å; L393-F395 VanDerWaalsContact O-N 3.13Å; L393-V396 VanDerWaalsContact O-CG2 3.24Å; L393-V396 WeakPolarHBondContact O-CG2 3.41Å; L393-V396 PolarHBondContact O-N 3.32Å; L393-E397 PolarHBondContact O-N 3.42Å; L393-L457 HydrophobicContact CD1-CD1 4.33Å; L393-V497 HydrophobicContact CD2-CG1 4.14Å; L393-W500 HydrophobicContact CD1-CH2 3.48Å; L393-W500 VanDerWaalsContact CD1-CH2 3.48Å; L393-W500 HydrophobicContact CD1-CZ3 3.5Å; L393-W500 VanDerWaalsContact CD1-CZ3 3.5Å; L393-A501 HydrophobicContact CD1-CB 3.99Å; L393-A501 HydrophobicContact CD2-CB 4.27Å; L393-A504 HydrophobicContact CB-CB 3.83Å; L393-A504 HydrophobicContact CD2-CB 3.86Å; L393-A504 HydrophobicContact CG-CB 4.5Å
394	K	95.8	Very high	96.3	Very high	20 Å²	20	35.8 Å²	35.8	9%	0.087	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-14.1	-178.3	-71.5	-67.5	-173	176	0	114.6	E128 V129 N137 G392 E397	E128-K394 HydrophobicContact CB-CB 4.44Å; E128-K394 HydrophobicContact CB-CD 4.22Å; E128-K394 HydrophobicContact CB-CG 4.34Å; E128-K394 WeakPolarHBondContact OE2-CD 3.48Å; E128-K394 WeakPolarHBondContact OE2-CE 3.42Å; E128-K394 IonicContact OE2-NZ 3.58Å; E128-K394 PolarHBondContact OE2-NZ 3.46Å; V129-K394 HydrophobicContact CG1-CB 4.3Å; N137-K394 WeakPolarHBondContact OD1-CE 3.43Å; N137-K394 PolarHBondContact OD1-NZ 3Å; G392-K394 VanDerWaalsContact C-N 3.33Å; G392-K394 PolarHBondContact O-N 3.26Å; K394-E397 VanDerWaalsContact CD-OE2 3.28Å; K394-E397 WeakPolarHBondContact CD-OE2 3.42Å; K394-E397 WeakPolarHBondContact CE-OE2 3.17Å; K394-E397 IonicContact NZ-OE2 2.76Å; K394-E397 PolarHBondContact NZ-OE2 3.3Å
395	F	95.9	Very high	96.2	Very high	16 Å²	16	35.8 Å²	35.8	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-75	-28.1	173.1	175	-112.3	0	0	0	112.6	Y352 G392 L393 A414 F418 L456 F460	Y352-F395 WeakPolarHBondContact OH-CE2 3.11Å; G392-F395 WeakPolarHBondContact O-CB 3.43Å; G392-F395 PolarHBondContact O-N 3.09Å; L393-F395 PolarHBondContact O-N 3.13Å; L393-F395 VanDerWaalsContact O-N 3.13Å; F395-A414 HydrophobicContact CZ-CB 4.23Å; F395-F418 HydrophobicContact CE2-CD2 4.44Å; F395-F418 HydrophobicContact CZ-CB 4.31Å; F395-F418 HydrophobicContact CZ-CD2 4.39Å; F395-L456 HydrophobicContact CD1-CG 4.39Å; F395-L456 HydrophobicContact CE1-CD1 3.74Å; F395-L456 HydrophobicContact CE1-CG 3.81Å; F395-L456 HydrophobicContact CZ-CD1 4.38Å; F395-F460 HydrophobicContact CB-CB 4.04Å; F395-F460 HydrophobicContact CB-CD1 3.52Å; F395-F460 HydrophobicContact CB-CD2 4.12Å; F395-F460 HydrophobicContact CB-CE1 3.95Å; F395-F460 HydrophobicContact CB-CG 3.62Å; F395-F460 HydrophobicContact CB-CZ 4.42Å; F395-F460 HydrophobicContact CD1-CB 3.41Å; F395-F460 VanDerWaalsContact CD1-CB 3.41Å; F395-F460 HydrophobicContact CD1-CD1 4.46Å; F395-F460 AromaticContact CD1-CD2 3.97Å; F395-F460 HydrophobicContact CD1-CD2 3.97Å; F395-F460 AromaticContact CD1-CG 3.72Å; F395-F460 HydrophobicContact CD1-CG 3.72Å; F395-F460 AromaticContact CD2-CD2 3.6Å; F395-F460 HydrophobicContact CD2-CD2 3.6Å; F395-F460 AromaticContact CD2-CE2 3.84Å; F395-F460 HydrophobicContact CD2-CE2 3.84Å; F395-F460 AromaticContact CD2-CG 3.99Å; F395-F460 HydrophobicContact CD2-CG 3.99Å; F395-F460 HydrophobicContact CD2-CZ 4.38Å; F395-F460 HydrophobicContact CE1-CB 3.92Å; F395-F460 HydrophobicContact CE1-CD2 4.24Å; F395-F460 HydrophobicContact CE1-CG 4.33Å; F395-F460 AromaticContact CE2-CD2 3.93Å; F395-F460 HydrophobicContact CE2-CD2 3.93Å; F395-F460 HydrophobicContact CE2-CE2 4.27Å; F395-F460 HydrophobicContact CG-CB 3.77Å; F395-F460 AromaticContact CG-CD1 3.95Å; F395-F460 HydrophobicContact CG-CD1 3.95Å; F395-F460 AromaticContact CG-CD2 3.63Å; F395-F460 HydrophobicContact CG-CD2 3.63Å; F395-F460 HydrophobicContact CG-CE1 4.47Å; F395-F460 HydrophobicContact CG-CE2 4.2Å; F395-F460 AromaticContact CG-CG 3.5Å; F395-F460 HydrophobicContact CG-CG 3.5Å; F395-F460 HydrophobicContact CZ-CD2 4.23Å
396	V	95.8	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-109.2	-28	-176.9	-68.5	0	0	0	0	114	L393 N398 I399 V400 I406 L456 L457 W500	L393-V396 VanDerWaalsContact O-CG2 3.24Å; L393-V396 WeakPolarHBondContact O-CG2 3.41Å; L393-V396 PolarHBondContact O-N 3.32Å; V396-N398 VanDerWaalsContact C-N 3.28Å; V396-N398 PolarHBondContact O-N 2.86Å; V396-N398 VanDerWaalsContact O-N 3.11Å; V396-I399 WeakPolarHBondContact O-CG1 3.45Å; V396-I399 PolarHBondContact O-N 3Å; V396-V400 WeakPolarHBondContact O-CG2 3.33Å; V396-V400 PolarHBondContact O-N 2.82Å; V396-I406 HydrophobicContact CB-CD1 3.93Å; V396-I406 HydrophobicContact CG1-CD1 4.02Å; V396-L456 HydrophobicContact CG1-CB 4.02Å; V396-L456 HydrophobicContact CG1-CD2 3.94Å; V396-L456 HydrophobicContact CG1-CG 3.79Å; V396-L457 HydrophobicContact CG1-CB 4.16Å; V396-L457 HydrophobicContact CG2-CB 3.91Å; V396-L457 HydrophobicContact CG2-CD1 3.77Å; V396-L457 HydrophobicContact CG2-CG 4.08Å; V396-W500 HydrophobicContact CG2-CH2 4.12Å
397	E	93.3	Very high	96.1	Very high	39 Å²	39	37 Å²	37	18%	0.182	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-47.9	-45.5	-171.9	-175.3	169	-105.8	0	0	113.5	L393 K394 I399 V400 P498	L393-E397 PolarHBondContact O-N 3.42Å; K394-E397 VanDerWaalsContact CD-OE2 3.28Å; K394-E397 WeakPolarHBondContact CD-OE2 3.42Å; K394-E397 WeakPolarHBondContact CE-OE2 3.17Å; K394-E397 IonicContact NZ-OE2 2.76Å; K394-E397 PolarHBondContact NZ-OE2 3.3Å; E397-I399 VanDerWaalsContact C-N 3.27Å; E397-I399 PolarHBondContact O-N 2.91Å; E397-V400 PolarHBondContact O-N 2.84Å; E397-P498 HydrophobicContact CG-CG 4.47Å; E397-P498 VanDerWaalsContact OE1-CD 3.3Å; E397-P498 WeakPolarHBondContact OE1-CD 2.98Å
398	N	91.8	Very high	96	Very high	129 Å²	129	40 Å²	40	69%	0.69	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-76.3	-0.6	-178.4	-72.1	-50	0	0	0	115.7	V396	V396-N398 VanDerWaalsContact C-N 3.28Å; V396-N398 PolarHBondContact O-N 2.86Å; V396-N398 VanDerWaalsContact O-N 3.11Å
399	I	94.8	Very high	96	Very high	65 Å²	65	43.9 Å²	43.9	33%	0.333	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-125.6	13	177	59.8	165.5	0	0	0	113	V396 E397 I406 A414 L456	V396-I399 WeakPolarHBondContact O-CG1 3.45Å; V396-I399 PolarHBondContact O-N 3Å; E397-I399 VanDerWaalsContact C-N 3.27Å; E397-I399 PolarHBondContact O-N 2.91Å; I399-I406 HydrophobicContact CD1-CD1 3.94Å; I399-I406 HydrophobicContact CG1-CD1 3.85Å; I399-A414 HydrophobicContact CD1-CB 4.2Å; I399-L456 HydrophobicContact CD1-CD2 3.87Å
400	V	94.8	Very high	95.9	Very high	33 Å²	33	45.1 Å²	45.1	20%	0.2	27%	0.266	C	S	.	.			trans	-83.2	136.5	173.9	170.2	0	0	0	0	110.3	V396 E397 G405 I406 R453 W500	V396-V400 WeakPolarHBondContact O-CG2 3.33Å; V396-V400 PolarHBondContact O-N 2.82Å; E397-V400 PolarHBondContact O-N 2.84Å; V400-G405 CarbonylContact C-O 3.57Å; V400-G405 VanDerWaalsContact CA-O 3.3Å; V400-G405 WeakPolarHBondContact CA-O 3.32Å; V400-I406 HydrophobicContact CG2-CD1 3.99Å; V400-I406 HydrophobicContact CG2-CG1 3.9Å; V400-R453 HydrophobicContact CG2-CG 3.73Å; V400-W500 HydrophobicContact CB-CZ2 4.33Å; V400-W500 HydrophobicContact CG1-CZ2 4.13Å; V400-W500 HydrophobicContact CG2-CH2 4.2Å; V400-W500 HydrophobicContact CG2-CZ2 3.81Å
401	D	94	Very high	96	Very high	66 Å²	66	45.7 Å²	45.7	35%	0.353	27%	0.268	S	S	.	.			trans	-83.3	172.7	176.8	66	50.7	0	0	0	112.7	D403 D404 G405	D401-D403 PolarHBondContact O-N 3.29Å; D401-D403 WeakPolarHBondContact OD1-CA 3.18Å; D401-D403 PolarHBondContact OD1-N 2.62Å; D401-D404 PolarHBondContact O-N 3.07Å; D401-D404 VanDerWaalsContact O-N 3.12Å; D401-D404 PolarHBondContact OD1-N 2.76Å; D401-G405 PolarHBondContact N-O 2.86Å; D401-G405 WeakPolarHBondContact OD1-CA 3.21Å; D401-G405 PolarHBondContact OD1-N 3.14Å; D401-G405 VanDerWaalsContact OD2-CA 3.31Å; D401-G405 WeakPolarHBondContact OD2-CA 3.32Å
402	S	93.9	Very high	95.9	Very high	117 Å²	117	48.8 Å²	48.8	82%	0.818	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10.5	-176.6	57.5	0	0	0	0	114.9	D404	S402-D404 VanDerWaalsContact C-N 3.35Å
403	D	94.4	Very high	95.9	Very high	141 Å²	141	55.2 Å²	55.2	75%	0.754	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	24.3	175.5	-60.5	-36.7	0	0	0	110.5	D401 G405	D401-D403 PolarHBondContact O-N 3.29Å; D401-D403 WeakPolarHBondContact OD1-CA 3.18Å; D401-D403 PolarHBondContact OD1-N 2.62Å; D403-G405 PolarHBondContact O-N 3.5Å
404	D	95.6	Very high	95.8	Very high	70 Å²	70	55.6 Å²	55.6	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	57.9	19.5	-176	-67.6	-33.6	0	0	0	114.6	D401 S402 R453 W500	D401-D404 PolarHBondContact O-N 3.07Å; D401-D404 VanDerWaalsContact O-N 3.12Å; D401-D404 PolarHBondContact OD1-N 2.76Å; S402-D404 VanDerWaalsContact C-N 3.35Å; D404-R453 WeakPolarHBondContact O-CD 3.42Å; D404-R453 PolarHBondContact O-NH1 3.07Å; D404-W500 HydrophobicContact CB-CG 4.45Å; D404-W500 PolarHBondContact OD1-NE1 3.06Å; D404-W500 VanDerWaalsContact OD1-NE1 3.07Å
405	G	96.4	Very high	95.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.312	C	S	.	.			trans	-91.6	169.7	-177.1	0	0	0	0	0	115.1	V400 D401 D403 P449	V400-G405 CarbonylContact C-O 3.57Å; V400-G405 VanDerWaalsContact CA-O 3.3Å; V400-G405 WeakPolarHBondContact CA-O 3.32Å; D401-G405 PolarHBondContact N-O 2.86Å; D401-G405 WeakPolarHBondContact OD1-CA 3.21Å; D401-G405 PolarHBondContact OD1-N 3.14Å; D401-G405 VanDerWaalsContact OD2-CA 3.31Å; D401-G405 WeakPolarHBondContact OD2-CA 3.32Å; D403-G405 PolarHBondContact O-N 3.5Å; G405-P449 VanDerWaalsContact CA-CB 3.42Å
406	I	97.7	Very high	95.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.314	C	S	.	.			trans	-128.5	137.7	159.5	-74.4	-168.4	0	0	0	108.4	V396 I399 V400 D410 F411 P449 R452 R453 L456	V396-I406 HydrophobicContact CB-CD1 3.93Å; V396-I406 HydrophobicContact CG1-CD1 4.02Å; I399-I406 HydrophobicContact CD1-CD1 3.94Å; I399-I406 HydrophobicContact CG1-CD1 3.85Å; V400-I406 HydrophobicContact CG2-CD1 3.99Å; V400-I406 HydrophobicContact CG2-CG1 3.9Å; I406-D410 HydrophobicContact CG2-CB 4.11Å; I406-F411 HydrophobicContact CG2-CB 4.32Å; I406-P449 PolarHBondContact N-O 3.03Å; I406-R452 PolarHBondContact O-NE 3.34Å; I406-R452 PolarHBondContact O-NH2 2.92Å; I406-R453 HydrophobicContact CB-CB 4.27Å; I406-R453 HydrophobicContact CD1-CB 4.12Å; I406-R453 HydrophobicContact CD1-CG 3.88Å; I406-R453 HydrophobicContact CG1-CB 3.91Å; I406-R453 HydrophobicContact CG1-CG 3.98Å; I406-L456 HydrophobicContact CD1-CD2 3.92Å; I406-L456 HydrophobicContact CG2-CD2 4.29Å
407	S	97.9	Very high	95.7	Very high	31 Å²	31	56.6 Å²	56.6	22%	0.217	32%	0.324	C	S	.	.			trans	-73.3	164.5	-179.4	92.1	0	0	0	0	112.7	S409 D410 F411	S407-S409 VanDerWaalsContact C-N 3.3Å; S407-S409 PolarHBondContact O-N 3.43Å; S407-S409 PolarHBondContact OG-N 2.9Å; S407-S409 PolarHBondContact OG-OG 2.59Å; S407-D410 WeakPolarHBondContact CB-OD2 3.21Å; S407-D410 PolarHBondContact OG-N 3.22Å; S407-D410 VanDerWaalsContact OG-N 3.07Å; S407-D410 PolarHBondContact OG-OD2 2.89Å; S407-F411 WeakPolarHBondContact O-CB 3.48Å; S407-F411 PolarHBondContact O-N 3.45Å; S407-F411 VanDerWaalsContact O-N 3.09Å
408	A	97.1	Very high	95.9	Very high	63 Å²	63	54.7 Å²	54.7	52%	0.521	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-33.1	175.7	0	0	0	0	0	112.3	D412	A408-D412 WeakPolarHBondContact O-CB 3.3Å; A408-D412 PolarHBondContact O-N 2.88Å
409	S	97.5	Very high	96	Very high	81 Å²	81	48.7 Å²	48.7	57%	0.566	28%	0.283	S	S	*	.	H	α-helix	trans	-71	-40.4	176.1	25.4	0	0	0	0	112.6	S407 D412 F413	S407-S409 VanDerWaalsContact C-N 3.3Å; S407-S409 PolarHBondContact O-N 3.43Å; S407-S409 PolarHBondContact OG-N 2.9Å; S407-S409 PolarHBondContact OG-OG 2.59Å; S409-D412 PolarHBondContact O-N 3.18Å; S409-F413 VanDerWaalsContact O-CB 3.3Å; S409-F413 WeakPolarHBondContact O-CB 3.47Å; S409-F413 PolarHBondContact O-N 3.18Å
410	D	97.7	Very high	95.8	Very high	68 Å²	68	46.6 Å²	46.6	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-73.1	-34.4	-180	-55.1	-49.7	0	0	0	110.9	I406 S407 A414	I406-D410 HydrophobicContact CG2-CB 4.11Å; S407-D410 WeakPolarHBondContact CB-OD2 3.21Å; S407-D410 PolarHBondContact OG-N 3.22Å; S407-D410 VanDerWaalsContact OG-N 3.07Å; S407-D410 PolarHBondContact OG-OD2 2.89Å; D410-A414 WeakPolarHBondContact O-CB 3.26Å; D410-A414 PolarHBondContact O-N 2.97Å
411	F	98.1	Very high	95.7	Very high	14 Å²	14	47.4 Å²	47.4	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-51.9	167.8	-176.9	-87.6	0	0	0	111.6	I406 S407 F413 A414 V415 R452 T455 L456	I406-F411 HydrophobicContact CG2-CB 4.32Å; S407-F411 WeakPolarHBondContact O-CB 3.48Å; S407-F411 PolarHBondContact O-N 3.45Å; S407-F411 VanDerWaalsContact O-N 3.09Å; F411-F413 VanDerWaalsContact C-N 3.33Å; F411-F413 PolarHBondContact O-N 2.63Å; F411-A414 PolarHBondContact O-N 3.42Å; F411-V415 HydrophobicContact CD1-CG2 4.15Å; F411-V415 HydrophobicContact CE1-CG2 3.85Å; F411-V415 HydrophobicContact CE2-CG2 4.41Å; F411-V415 HydrophobicContact CZ-CG2 3.98Å; F411-V415 VanDerWaalsContact O-CG2 3.27Å; F411-V415 WeakPolarHBondContact O-CG2 3.39Å; F411-V415 PolarHBondContact O-N 3.06Å; F411-R452 HydrophobicContact CD2-CB 4.17Å; F411-T455 WeakPolarHBondContact CE2-OG1 3.34Å; F411-L456 HydrophobicContact CD2-CB 3.94Å; F411-L456 HydrophobicContact CD2-CD1 4.23Å; F411-L456 HydrophobicContact CD2-CD2 4.43Å; F411-L456 HydrophobicContact CD2-CG 4.44Å; F411-L456 HydrophobicContact CE2-CB 4.07Å; F411-L456 HydrophobicContact CE2-CD1 4.34Å
412	D	96.4	Very high	95.6	Very high	68 Å²	68	45.8 Å²	45.8	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-41.7	179.6	-171.2	66.3	0	0	0	112.4	A408 S409 S416 K437	A408-D412 WeakPolarHBondContact O-CB 3.3Å; A408-D412 PolarHBondContact O-N 2.88Å; S409-D412 PolarHBondContact O-N 3.18Å; D412-S416 WeakPolarHBondContact O-CB 3.37Å; D412-S416 PolarHBondContact O-N 3.02Å; D412-S416 PolarHBondContact O-OG 3.08Å; D412-K437 VanDerWaalsContact OD1-CD 3.26Å; D412-K437 WeakPolarHBondContact OD1-CD 3.1Å; D412-K437 WeakPolarHBondContact OD1-CE 3.4Å; D412-K437 IonicContact OD1-NZ 3.75Å; D412-K437 PolarHBondContact OD1-NZ 2.8Å; D412-K437 IonicContact OD2-NZ 2.88Å
413	F	96.9	Very high	95.3	Very high	137 Å²	137	42 Å²	42	60%	0.601	24%	0.235	S	C	*	.	H	α-helix	trans	-68.8	-41.9	176.9	178.8	-100.5	0	0	0	112.9	S409 F411 S416 N417	S409-F413 VanDerWaalsContact O-CB 3.3Å; S409-F413 WeakPolarHBondContact O-CB 3.47Å; S409-F413 PolarHBondContact O-N 3.18Å; F411-F413 VanDerWaalsContact C-N 3.33Å; F411-F413 PolarHBondContact O-N 2.63Å; F413-S416 WeakPolarHBondContact O-CB 3.5Å; F413-S416 PolarHBondContact O-N 2.97Å; F413-N417 VanDerWaalsContact O-CB 3.31Å; F413-N417 WeakPolarHBondContact O-CB 3.36Å; F413-N417 PolarHBondContact O-N 2.86Å
414	A	97	Very high	94.9	Very high	10 Å²	10	36.8 Å²	36.8	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-43	178.8	0	0	0	0	0	111.8	F395 I399 D410 F411 F418 L456	F395-A414 HydrophobicContact CZ-CB 4.23Å; I399-A414 HydrophobicContact CD1-CB 4.2Å; D410-A414 WeakPolarHBondContact O-CB 3.26Å; D410-A414 PolarHBondContact O-N 2.97Å; F411-A414 PolarHBondContact O-N 3.42Å; A414-F418 WeakPolarHBondContact O-CB 3.38Å; A414-F418 PolarHBondContact O-N 3.06Å; A414-L456 HydrophobicContact CB-CD1 3.87Å; A414-L456 HydrophobicContact CB-CD2 3.67Å; A414-L456 HydrophobicContact CB-CG 4.33Å
415	V	96.8	Very high	94	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-44.3	173	177.2	0	0	0	0	110.8	F411 F418 V419 I436 K437 L456 L459	F411-V415 HydrophobicContact CD1-CG2 4.15Å; F411-V415 HydrophobicContact CE1-CG2 3.85Å; F411-V415 HydrophobicContact CE2-CG2 4.41Å; F411-V415 HydrophobicContact CZ-CG2 3.98Å; F411-V415 VanDerWaalsContact O-CG2 3.27Å; F411-V415 WeakPolarHBondContact O-CG2 3.39Å; F411-V415 PolarHBondContact O-N 3.06Å; V415-F418 PolarHBondContact O-N 2.88Å; V415-V419 WeakPolarHBondContact O-CG2 3.48Å; V415-V419 PolarHBondContact O-N 2.83Å; V415-V419 VanDerWaalsContact O-N 3.1Å; V415-I436 HydrophobicContact CG1-CB 4.21Å; V415-I436 HydrophobicContact CG1-CG2 3.76Å; V415-K437 HydrophobicContact CB-CG 4.28Å; V415-K437 HydrophobicContact CG1-CG 3.75Å; V415-L456 HydrophobicContact CG2-CD1 3.93Å; V415-L459 HydrophobicContact CG1-CD1 4.39Å; V415-L459 HydrophobicContact CG2-CD1 3.72Å
416	S	94.2	Very high	92.9	Very high	17 Å²	17	43.9 Å²	43.9	12%	0.119	24%	0.243	C	C	.	.	H	α-helix	trans	-52.8	-60.1	173.8	-73.4	0	0	0	0	111.9	D412 F413 F418 V419 D420 R433	D412-S416 WeakPolarHBondContact O-CB 3.37Å; D412-S416 PolarHBondContact O-N 3.02Å; D412-S416 PolarHBondContact O-OG 3.08Å; F413-S416 WeakPolarHBondContact O-CB 3.5Å; F413-S416 PolarHBondContact O-N 2.97Å; S416-F418 VanDerWaalsContact C-N 3.27Å; S416-F418 PolarHBondContact O-N 3.01Å; S416-V419 PolarHBondContact O-N 3.47Å; S416-D420 VanDerWaalsContact O-CG 3.28Å; S416-D420 PolarHBondContact O-N 2.91Å; S416-D420 VanDerWaalsContact O-OD2 3.07Å; S416-R433 VanDerWaalsContact CA-NH1 3.3Å; S416-R433 WeakPolarHBondContact OG-CD 3.18Å; S416-R433 PolarHBondContact OG-NH1 3.05Å
417	N	94.4	Very high	91.3	Very high	39 Å²	39	51.8 Å²	51.8	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-29.5	-175.5	-169.1	-104.3	0	0	0	112.4	R351 F413 N421	R351-N417 PolarHBondContact NH1-OD1 2.99Å; F413-N417 VanDerWaalsContact O-CB 3.31Å; F413-N417 WeakPolarHBondContact O-CB 3.36Å; F413-N417 PolarHBondContact O-N 2.86Å; N417-N421 PolarHBondContact O-N 3.19Å; N417-N421 PolarHBondContact O-ND2 2.73Å; N417-N421 PolarHBondContact OD1-ND2 3.38Å
418	F	95.8	Very high	89.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-51.2	173.1	-178.6	-99.8	0	0	0	111.7	Y352 F395 A414 V415 S416 N421 L422 L459 F460 H463 W606	Y352-F418 HydrophobicContact CD2-CD2 4.45Å; Y352-F418 AromaticContact CE2-CD2 3.86Å; Y352-F418 HydrophobicContact CE2-CD2 3.86Å; Y352-F418 HydrophobicContact CE2-CE2 4.43Å; Y352-F418 AromaticContact CZ-CD2 3.98Å; F395-F418 HydrophobicContact CE2-CD2 4.44Å; F395-F418 HydrophobicContact CZ-CB 4.31Å; F395-F418 HydrophobicContact CZ-CD2 4.39Å; A414-F418 WeakPolarHBondContact O-CB 3.38Å; A414-F418 PolarHBondContact O-N 3.06Å; V415-F418 PolarHBondContact O-N 2.88Å; S416-F418 VanDerWaalsContact C-N 3.27Å; S416-F418 PolarHBondContact O-N 3.01Å; F418-N421 PolarHBondContact O-N 3.02Å; F418-L422 HydrophobicContact CD1-CD1 4.18Å; F418-L422 HydrophobicContact CD2-CD1 3.94Å; F418-L422 HydrophobicContact CE1-CD1 3.64Å; F418-L422 HydrophobicContact CE2-CD1 3.34Å; F418-L422 HydrophobicContact CG-CD1 4.32Å; F418-L422 HydrophobicContact CZ-CD1 3.18Å; F418-L422 PolarHBondContact O-N 3.37Å; F418-L459 HydrophobicContact CD1-CD2 3.52Å; F418-L459 HydrophobicContact CD2-CD2 4.49Å; F418-L459 HydrophobicContact CE1-CD2 3.64Å; F418-L459 HydrophobicContact CG-CD2 3.97Å; F418-L459 HydrophobicContact CZ-CD2 4.18Å; F418-F460 AromaticContact CD2-CD2 3.68Å; F418-F460 HydrophobicContact CD2-CD2 3.68Å; F418-F460 AromaticContact CD2-CE2 3.96Å; F418-F460 HydrophobicContact CD2-CE2 3.96Å; F418-F460 AromaticContact CE2-CD2 3.37Å; F418-F460 HydrophobicContact CE2-CD2 3.37Å; F418-F460 AromaticContact CE2-CE2 3.63Å; F418-F460 HydrophobicContact CE2-CE2 3.63Å; F418-F460 HydrophobicContact CZ-CD2 4.36Å; F418-H463 HydrophobicContact CE1-CB 4.11Å; F418-H463 HydrophobicContact CZ-CB 3.67Å; F418-H463 AromaticContact CZ-CG 3.6Å; F418-H463 AromaticContact CZ-ND1 3.66Å; F418-W606 HydrophobicContact CE1-CH2 4.04Å; F418-W606 HydrophobicContact CE1-CZ2 4.43Å
419	V	94	Very high	88.5	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-47.2	178.4	173.9	0	0	0	0	111.1	V415 S416 N421 L422 Y423 L432 R433 I436	V415-V419 WeakPolarHBondContact O-CG2 3.48Å; V415-V419 PolarHBondContact O-N 2.83Å; V415-V419 VanDerWaalsContact O-N 3.1Å; S416-V419 PolarHBondContact O-N 3.47Å; V419-N421 PolarHBondContact O-N 2.85Å; V419-L422 PolarHBondContact O-N 3.32Å; V419-L422 VanDerWaalsContact O-N 3.17Å; V419-Y423 HydrophobicContact CG1-CD2 4.15Å; V419-Y423 PolarHBondContact O-N 2.78Å; V419-L432 HydrophobicContact CG1-CD2 3.98Å; V419-L432 HydrophobicContact CG1-CG 4.14Å; V419-R433 HydrophobicContact CB-CG 4.49Å; V419-R433 HydrophobicContact CG1-CB 4.44Å; V419-R433 HydrophobicContact CG2-CG 4.46Å; V419-I436 HydrophobicContact CG2-CG1 4.33Å
420	D	91.8	Very high	87.8	Confident	21 Å²	21	55.8 Å²	55.8	11%	0.112	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-28.6	-177.8	-68.7	-38.5	0	0	0	113.4	S416 G424 Y425 R433	S416-D420 VanDerWaalsContact O-CG 3.28Å; S416-D420 PolarHBondContact O-N 2.91Å; S416-D420 VanDerWaalsContact O-OD2 3.07Å; D420-G424 WeakPolarHBondContact O-CA 3.36Å; D420-G424 PolarHBondContact O-N 2.97Å; D420-Y425 HydrophobicContact CB-CD1 4.27Å; D420-Y425 HydrophobicContact CB-CE1 3.79Å; D420-Y425 VanDerWaalsContact CG-CE1 3.42Å; D420-Y425 WeakPolarHBondContact OD1-CD1 3.24Å; D420-R433 IonicContact OD1-CZ 2.73Å; D420-R433 IonicContact OD1-NH1 3.26Å; D420-R433 PolarHBondContact OD1-NH1 2.94Å; D420-R433 IonicContact OD1-NH2 3.39Å; D420-R433 PolarHBondContact OD1-NH2 3.09Å; D420-R433 IonicContact OD2-CZ 2.71Å; D420-R433 IonicContact OD2-NH1 2.69Å; D420-R433 PolarHBondContact OD2-NH1 3.47Å; D420-R433 IonicContact OD2-NH2 3.68Å
421	N	91.8	Very high	87.4	Confident	50 Å²	50	55.4 Å²	55.4	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-85.5	-19.8	179.1	-83.4	-79.6	0	0	0	114.4	R351 Y352 H353 N417 F418 V419	R351-N421 HydrophobicContact CB-CB 4.25Å; R351-N421 VanDerWaalsContact CB-OD1 3.3Å; R351-N421 WeakPolarHBondContact CB-OD1 3.08Å; Y352-N421 HydrophobicContact CD2-CB 3.87Å; Y352-N421 HydrophobicContact CE2-CB 3.74Å; H353-N421 PolarHBondContact CE1-O 3.39Å; N417-N421 PolarHBondContact O-N 3.19Å; N417-N421 PolarHBondContact O-ND2 2.73Å; N417-N421 PolarHBondContact OD1-ND2 3.38Å; F418-N421 PolarHBondContact O-N 3.02Å; V419-N421 PolarHBondContact O-N 2.85Å
422	L	91.2	Very high	87.1	Confident	33 Å²	33	55.1 Å²	55.1	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-108.6	-37.7	-175.3	-73.1	165.6	0	0	0	113.1	Y352 F418 V419	Y352-L422 HydrophobicContact CD2-CD1 4.24Å; Y352-L422 HydrophobicContact CD2-CD2 4.34Å; Y352-L422 HydrophobicContact CD2-CG 4.02Å; F418-L422 HydrophobicContact CD1-CD1 4.18Å; F418-L422 HydrophobicContact CD2-CD1 3.94Å; F418-L422 HydrophobicContact CE1-CD1 3.64Å; F418-L422 HydrophobicContact CE2-CD1 3.34Å; F418-L422 HydrophobicContact CG-CD1 4.32Å; F418-L422 HydrophobicContact CZ-CD1 3.18Å; F418-L422 PolarHBondContact O-N 3.37Å; V419-L422 PolarHBondContact O-N 3.32Å; V419-L422 VanDerWaalsContact O-N 3.17Å
423	Y	89.5	Confident	86.9	Confident	38 Å²	38	53.4 Å²	53.4	15%	0.149	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-3.6	-178.7	-58.3	-79.5	0	0	0	113	V419 L432 H463 W606 V610 H614	V419-Y423 HydrophobicContact CG1-CD2 4.15Å; V419-Y423 PolarHBondContact O-N 2.78Å; Y423-L432 HydrophobicContact CD1-CD2 4.12Å; Y423-L432 HydrophobicContact CD2-CD2 3.86Å; Y423-L432 HydrophobicContact CE2-CD2 4.44Å; Y423-L432 HydrophobicContact CG-CD2 3.66Å; Y423-H463 AromaticContact CZ-NE2 3.82Å; Y423-H463 PolarHBondContact OH-CD2 2.76Å; Y423-H463 PolarHBondContact OH-NE2 2.9Å; Y423-W606 HydrophobicContact CE2-CZ3 4.23Å; Y423-V610 HydrophobicContact CE1-CG1 3.73Å; Y423-V610 HydrophobicContact CE2-CG1 4.36Å; Y423-V610 VanDerWaalsContact OH-CG1 3.32Å; Y423-V610 WeakPolarHBondContact OH-CG1 3.13Å; Y423-H614 AromaticContact CD1-ND1 3.93Å; Y423-H614 PolarHBondContact O-NE2 2.82Å
424	G	85.1	Confident	86.8	Confident	31 Å²	31	51.9 Å²	51.9	32%	0.32	27%	0.268	S	S	.	.			trans	74.4	-174.3	-174.1	0	0	0	0	0	113.2	D420	D420-G424 WeakPolarHBondContact O-CA 3.36Å; D420-G424 PolarHBondContact O-N 2.97Å
425	Y	77.4	Confident	86.7	Confident	179 Å²	179	52.8 Å²	52.8	70%	0.702	27%	0.272	S	S	*	.			trans	-86.2	128.1	176.2	-65.8	-79.7	0	0	0	110.4	D420 E427	D420-Y425 HydrophobicContact CB-CD1 4.27Å; D420-Y425 HydrophobicContact CB-CE1 3.79Å; D420-Y425 VanDerWaalsContact CG-CE1 3.42Å; D420-Y425 WeakPolarHBondContact OD1-CD1 3.24Å; Y425-E427 PolarHBondContact O-N 2.94Å
426	P	73.4	Confident	86.7	Confident	40 Å²	40	52.8 Å²	52.8	26%	0.26	27%	0.272	S	S	.	.			trans	-71.4	126.4	177.3	27.6	-32.4	0	0	0	111.2	G428 D430	P426-G428 PolarHBondContact O-N 3.35Å; P426-D430 HydrophobicContact CG-CB 3.92Å
427	E	63.4	Low	86.8	Confident	166 Å²	166	53.3 Å²	53.3	78%	0.776	27%	0.272	S	S	*	.	S	Bend	trans	-70	-15.6	171.8	-60.3	-167.7	150.3	0	0	113	Y425 Q621	Y425-E427 PolarHBondContact O-N 2.94Å; E427-Q621 PolarHBondContact OE2-NE2 2.87Å
428	G	65.8	Low	87	Confident	43 Å²	43	57 Å²	57	44%	0.443	29%	0.287	S	S	.	.	S	Bend	trans	-112.8	-135.9	-172.3	0	0	0	0	0	114.4	P426	P426-G428 PolarHBondContact O-N 3.35Å
429	K	69.9	Low	87.1	Confident	173 Å²	173	60 Å²	60	75%	0.752	30%	0.302	S	S	*	.			trans	-83.9	131.6	173.3	-74.1	-177.4	179.3	177.3	0	109.1	V431 N617	K429-V431 HydrophobicContact CB-CG2 4.05Å; K429-V431 PolarHBondContact O-N 2.83Å; K429-N617 PolarHBondContact O-OD1 3.3Å
430	D	82.8	Confident	87.3	Confident	42 Å²	42	60 Å²	60	23%	0.225	30%	0.302	C	S	.	.			trans	-78.6	69.8	176.9	-158.1	-19.5	0	0	0	112.5	P426 L432 R433 E434	P426-D430 HydrophobicContact CG-CB 3.92Å; D430-L432 VanDerWaalsContact C-N 3.34Å; D430-R433 VanDerWaalsContact CG-CB 3.42Å; D430-R433 WeakPolarHBondContact OD1-CB 3.22Å; D430-R433 PolarHBondContact OD1-N 2.95Å; D430-R433 WeakPolarHBondContact OD2-CB 3.48Å; D430-R433 IonicContact OD2-CZ 3.32Å; D430-R433 IonicContact OD2-NE 2.69Å; D430-R433 PolarHBondContact OD2-NE 3.3Å; D430-R433 IonicContact OD2-NH2 3.68Å; D430-R433 PolarHBondContact OD2-NH2 3.4Å; D430-E434 WeakPolarHBondContact O-CG 3.37Å
431	V	90.1	Very high	87.6	Confident	60 Å²	60	60.7 Å²	60.7	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-72.8	-32.5	175.6	-173.9	0	0	0	0	110.5	K429 T435 L613	K429-V431 HydrophobicContact CB-CG2 4.05Å; K429-V431 PolarHBondContact O-N 2.83Å; V431-T435 VanDerWaalsContact O-CB 3.28Å; V431-T435 WeakPolarHBondContact O-CB 3.46Å; V431-T435 PolarHBondContact O-N 2.82Å; V431-T435 PolarHBondContact O-OG1 3.28Å; V431-L613 HydrophobicContact CG1-CD2 3.85Å
432	L	91	Very high	87.9	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.047	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-56.9	-176.5	177.7	57.6	0	0	0	111.4	V419 Y423 D430 E434 T435 I436 V610 L613	V419-L432 HydrophobicContact CG1-CD2 3.98Å; V419-L432 HydrophobicContact CG1-CG 4.14Å; Y423-L432 HydrophobicContact CD1-CD2 4.12Å; Y423-L432 HydrophobicContact CD2-CD2 3.86Å; Y423-L432 HydrophobicContact CE2-CD2 4.44Å; Y423-L432 HydrophobicContact CG-CD2 3.66Å; D430-L432 VanDerWaalsContact C-N 3.34Å; L432-E434 VanDerWaalsContact C-N 3.35Å; L432-E434 PolarHBondContact O-N 2.89Å; L432-T435 PolarHBondContact O-N 2.87Å; L432-T435 VanDerWaalsContact O-N 3.1Å; L432-I436 HydrophobicContact CD1-CD1 4.36Å; L432-I436 HydrophobicContact CD1-CG1 4.15Å; L432-I436 WeakPolarHBondContact O-CG1 3.39Å; L432-I436 PolarHBondContact O-N 3.44Å; L432-V610 HydrophobicContact CD1-CB 4.23Å; L432-V610 HydrophobicContact CD1-CG1 3.73Å; L432-V610 HydrophobicContact CD1-CG2 3.83Å; L432-L613 HydrophobicContact CD1-CB 4.49Å
433	R	92.6	Very high	88.2	Confident	32 Å²	32	66.2 Å²	66.2	12%	0.121	33%	0.326	C	S	.	.	H	α-helix	trans	-59.9	-45	-177	-163.7	-156.4	-52.7	-100	-20.3	111.4	S416 V419 D420 D430 T435 I436 K437	S416-R433 VanDerWaalsContact CA-NH1 3.3Å; S416-R433 WeakPolarHBondContact OG-CD 3.18Å; S416-R433 PolarHBondContact OG-NH1 3.05Å; V419-R433 HydrophobicContact CB-CG 4.49Å; V419-R433 HydrophobicContact CG1-CB 4.44Å; V419-R433 HydrophobicContact CG2-CG 4.46Å; D420-R433 IonicContact OD1-CZ 2.73Å; D420-R433 IonicContact OD1-NH1 3.26Å; D420-R433 PolarHBondContact OD1-NH1 2.94Å; D420-R433 IonicContact OD1-NH2 3.39Å; D420-R433 PolarHBondContact OD1-NH2 3.09Å; D420-R433 IonicContact OD2-CZ 2.71Å; D420-R433 IonicContact OD2-NH1 2.69Å; D420-R433 PolarHBondContact OD2-NH1 3.47Å; D420-R433 IonicContact OD2-NH2 3.68Å; D430-R433 VanDerWaalsContact CG-CB 3.42Å; D430-R433 WeakPolarHBondContact OD1-CB 3.22Å; D430-R433 PolarHBondContact OD1-N 2.95Å; D430-R433 WeakPolarHBondContact OD2-CB 3.48Å; D430-R433 IonicContact OD2-CZ 3.32Å; D430-R433 IonicContact OD2-NE 2.69Å; D430-R433 PolarHBondContact OD2-NE 3.3Å; D430-R433 IonicContact OD2-NH2 3.68Å; D430-R433 PolarHBondContact OD2-NH2 3.4Å; R433-T435 VanDerWaalsContact C-N 3.33Å; R433-T435 PolarHBondContact O-N 3.43Å; R433-I436 PolarHBondContact O-N 2.77Å; R433-K437 VanDerWaalsContact O-CG 3.3Å; R433-K437 WeakPolarHBondContact O-CG 3.21Å; R433-K437 PolarHBondContact O-N 2.77Å
434	E	94.1	Very high	88.6	Confident	104 Å²	104	69.1 Å²	69.1	49%	0.486	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-36.5	176.6	-66.9	-56.7	127.8	0	0	112.5	D430 L432 K437 F438	D430-E434 WeakPolarHBondContact O-CG 3.37Å; L432-E434 VanDerWaalsContact C-N 3.35Å; L432-E434 PolarHBondContact O-N 2.89Å; E434-K437 VanDerWaalsContact OE1-CE 3.29Å; E434-K437 WeakPolarHBondContact OE1-CE 3.49Å; E434-K437 IonicContact OE1-NZ 2.78Å; E434-K437 PolarHBondContact OE1-NZ 2.58Å; E434-F438 VanDerWaalsContact O-CB 3.3Å; E434-F438 WeakPolarHBondContact O-CB 3.24Å; E434-F438 PolarHBondContact O-N 2.89Å
435	T	96.4	Very high	89.1	Confident	30 Å²	30	70.9 Å²	70.9	18%	0.184	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-41.5	173.9	-58.1	0	0	0	0	111.7	V431 L432 R433 F438 M439 L605 L609 L613	V431-T435 VanDerWaalsContact O-CB 3.28Å; V431-T435 WeakPolarHBondContact O-CB 3.46Å; V431-T435 PolarHBondContact O-N 2.82Å; V431-T435 PolarHBondContact O-OG1 3.28Å; L432-T435 PolarHBondContact O-N 2.87Å; L432-T435 VanDerWaalsContact O-N 3.1Å; R433-T435 VanDerWaalsContact C-N 3.33Å; R433-T435 PolarHBondContact O-N 3.43Å; T435-F438 PolarHBondContact O-N 3.04Å; T435-M439 HydrophobicContact CG2-CG 4.16Å; T435-M439 WeakPolarHBondContact O-CB 3.18Å; T435-M439 VanDerWaalsContact O-CG 3.22Å; T435-M439 WeakPolarHBondContact O-CG 3.27Å; T435-M439 PolarHBondContact O-N 3.33Å; T435-L605 HydrophobicContact CG2-CD1 4.49Å; T435-L609 HydrophobicContact CG2-CD2 4.37Å; T435-L613 HydrophobicContact CG2-CD1 3.8Å
436	I	96.8	Very high	89.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-47	175.9	-61.1	-48.8	0	0	0	110.9	V415 V419 L432 R433 F438 M439 Y440 L459 L605 W606 V610	V415-I436 HydrophobicContact CG1-CB 4.21Å; V415-I436 HydrophobicContact CG1-CG2 3.76Å; V419-I436 HydrophobicContact CG2-CG1 4.33Å; L432-I436 HydrophobicContact CD1-CD1 4.36Å; L432-I436 HydrophobicContact CD1-CG1 4.15Å; L432-I436 WeakPolarHBondContact O-CG1 3.39Å; L432-I436 PolarHBondContact O-N 3.44Å; R433-I436 PolarHBondContact O-N 2.77Å; I436-F438 VanDerWaalsContact C-N 3.31Å; I436-F438 PolarHBondContact O-N 3.09Å; I436-M439 PolarHBondContact O-N 3.3Å; I436-Y440 HydrophobicContact CG2-CD2 3.94Å; I436-Y440 HydrophobicContact CG2-CE2 4.33Å; I436-Y440 WeakPolarHBondContact O-CD2 3.31Å; I436-Y440 PolarHBondContact O-N 2.81Å; I436-L459 HydrophobicContact CG2-CD1 3.59Å; I436-L459 HydrophobicContact CG2-CG 4.29Å; I436-L605 HydrophobicContact CD1-CD1 4.26Å; I436-L605 HydrophobicContact CD1-CD2 4.21Å; I436-L605 HydrophobicContact CD1-CG 4.37Å; I436-W606 HydrophobicContact CD1-CE3 4.21Å; I436-W606 HydrophobicContact CD1-CH2 3.5Å; I436-W606 VanDerWaalsContact CD1-CH2 3.5Å; I436-W606 HydrophobicContact CD1-CZ2 4.26Å; I436-W606 HydrophobicContact CD1-CZ3 3.47Å; I436-W606 VanDerWaalsContact CD1-CZ3 3.47Å; I436-W606 HydrophobicContact CG1-CH2 3.91Å; I436-W606 HydrophobicContact CG1-CZ3 4.09Å; I436-W606 HydrophobicContact CG2-CH2 4.03Å; I436-V610 HydrophobicContact CD1-CG2 3.71Å
437	K	96.5	Very high	91	Very high	27 Å²	27	73.9 Å²	73.9	12%	0.117	37%	0.371	C	S	.	.	H	α-helix	trans	-54.4	-47.7	173.2	-67.8	174	-160.9	-172.4	0	111.4	D412 V415 R433 E434 Y440 T441	D412-K437 VanDerWaalsContact OD1-CD 3.26Å; D412-K437 WeakPolarHBondContact OD1-CD 3.1Å; D412-K437 WeakPolarHBondContact OD1-CE 3.4Å; D412-K437 IonicContact OD1-NZ 3.75Å; D412-K437 PolarHBondContact OD1-NZ 2.8Å; D412-K437 IonicContact OD2-NZ 2.88Å; V415-K437 HydrophobicContact CB-CG 4.28Å; V415-K437 HydrophobicContact CG1-CG 3.75Å; R433-K437 VanDerWaalsContact O-CG 3.3Å; R433-K437 WeakPolarHBondContact O-CG 3.21Å; R433-K437 PolarHBondContact O-N 2.77Å; E434-K437 VanDerWaalsContact OE1-CE 3.29Å; E434-K437 WeakPolarHBondContact OE1-CE 3.49Å; E434-K437 IonicContact OE1-NZ 2.78Å; E434-K437 PolarHBondContact OE1-NZ 2.58Å; K437-Y440 PolarHBondContact O-N 3.09Å; K437-T441 WeakPolarHBondContact O-CB 3.49Å; K437-T441 PolarHBondContact O-N 3.25Å; K437-T441 PolarHBondContact O-OG1 3.21Å
438	F	97.9	Very high	92.6	Very high	116 Å²	116	68 Å²	68	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-45.5	179.2	174.2	-91.7	0	0	0	112.2	E434 T435 I436 T441 W443	E434-F438 VanDerWaalsContact O-CB 3.3Å; E434-F438 WeakPolarHBondContact O-CB 3.24Å; E434-F438 PolarHBondContact O-N 2.89Å; T435-F438 PolarHBondContact O-N 3.04Å; I436-F438 VanDerWaalsContact C-N 3.31Å; I436-F438 PolarHBondContact O-N 3.09Å; F438-T441 PolarHBondContact O-N 3Å; F438-W443 AromaticContact CD2-CE2 3.69Å; F438-W443 AromaticContact CD2-CZ2 3.51Å; F438-W443 HydrophobicContact CD2-CZ2 3.51Å; F438-W443 AromaticContact CD2-NE1 3.6Å; F438-W443 AromaticContact CE2-CE2 3.81Å; F438-W443 HydrophobicContact CE2-CZ2 4.02Å; F438-W443 AromaticContact CE2-NE1 3.58Å; F438-W443 HydrophobicContact CG-CZ2 4.32Å; F438-W443 PolarHBondContact O-NE1 3.18Å
439	M	98.1	Very high	94.1	Very high	65 Å²	65	68.5 Å²	68.5	32%	0.32	34%	0.341	S	S	.	.	H	α-helix	trans	-72.6	-26.7	-177.1	-70.4	-66.4	-76.9	0	0	113.4	T435 I436 K602 L605	T435-M439 HydrophobicContact CG2-CG 4.16Å; T435-M439 WeakPolarHBondContact O-CB 3.18Å; T435-M439 VanDerWaalsContact O-CG 3.22Å; T435-M439 WeakPolarHBondContact O-CG 3.27Å; T435-M439 PolarHBondContact O-N 3.33Å; I436-M439 PolarHBondContact O-N 3.3Å; M439-K602 PolarHBondContact O-NZ 3.34Å; M439-L605 HydrophobicContact CB-CD2 3.64Å; M439-L605 HydrophobicContact CE-CB 4.33Å; M439-L605 HydrophobicContact CE-CD1 4.32Å; M439-L605 HydrophobicContact CE-CD2 4.12Å; M439-L605 HydrophobicContact CG-CD1 4.04Å; M439-L605 HydrophobicContact CG-CD2 3.92Å
440	Y	98.3	Very high	95.5	Very high	2 Å²	2	64 Å²	64	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-102.2	6.5	176.7	-71.3	-88	0	0	0	114.2	I436 K437 T455 L459 D462 K602 L605 W606	I436-Y440 HydrophobicContact CG2-CD2 3.94Å; I436-Y440 HydrophobicContact CG2-CE2 4.33Å; I436-Y440 WeakPolarHBondContact O-CD2 3.31Å; I436-Y440 PolarHBondContact O-N 2.81Å; K437-Y440 PolarHBondContact O-N 3.09Å; Y440-T455 WeakPolarHBondContact CD1-O 3.38Å; Y440-T455 WeakPolarHBondContact O-CB 3.16Å; Y440-T455 WeakPolarHBondContact O-CG2 3.22Å; Y440-T455 PolarHBondContact O-OG1 2.85Å; Y440-L459 HydrophobicContact CD1-CB 3.69Å; Y440-L459 HydrophobicContact CD1-CD1 4.48Å; Y440-L459 HydrophobicContact CD1-CG 4.32Å; Y440-L459 HydrophobicContact CD2-CB 4.28Å; Y440-L459 HydrophobicContact CD2-CD1 3.84Å; Y440-L459 HydrophobicContact CD2-CG 4.01Å; Y440-L459 VanDerWaalsContact CE1-CA 3.44Å; Y440-L459 HydrophobicContact CE1-CB 3.79Å; Y440-L459 HydrophobicContact CE1-CG 4.38Å; Y440-L459 HydrophobicContact CE2-CB 4.35Å; Y440-L459 HydrophobicContact CE2-CD1 4.35Å; Y440-L459 HydrophobicContact CE2-CG 4.05Å; Y440-L459 HydrophobicContact CG-CB 3.96Å; Y440-L459 HydrophobicContact CG-CD1 3.9Å; Y440-L459 HydrophobicContact CG-CG 4.15Å; Y440-D462 WeakPolarHBondContact CE1-OD2 3.33Å; Y440-D462 WeakPolarHBondContact OH-CB 3.26Å; Y440-D462 PolarHBondContact OH-OD2 3.17Å; Y440-K602 HydrophobicContact CE1-CD 3.82Å; Y440-K602 HydrophobicContact CE2-CD 4.46Å; Y440-L605 HydrophobicContact CD2-CD2 4.46Å; Y440-L605 HydrophobicContact CE2-CD2 3.7Å; Y440-W606 AromaticContact CE2-CZ2 3.85Å; Y440-W606 HydrophobicContact CE2-CZ2 3.85Å; Y440-W606 AromaticContact CZ-NE1 3.97Å; Y440-W606 PolarHBondContact OH-NE1 2.66Å
441	T	98.2	Very high	96.2	Very high	35 Å²	35	63 Å²	63	22%	0.215	32%	0.318	C	S	.	.	S	Bend	trans	-84.3	123.3	163.1	-62.2	0	0	0	0	109.2	K437 F438 W443 R446	K437-T441 WeakPolarHBondContact O-CB 3.49Å; K437-T441 PolarHBondContact O-N 3.25Å; K437-T441 PolarHBondContact O-OG1 3.21Å; F438-T441 PolarHBondContact O-N 3Å; T441-W443 HydrophobicContact CG2-CD2 3.8Å; T441-W443 HydrophobicContact CG2-CE3 4Å; T441-W443 HydrophobicContact CG2-CG 4.38Å; T441-W443 HydrophobicContact CG2-CH2 3.97Å; T441-W443 HydrophobicContact CG2-CZ2 3.75Å; T441-W443 HydrophobicContact CG2-CZ3 4.08Å; T441-W443 PolarHBondContact O-N 3.46Å; T441-W443 PolarHBondContact O-NE1 3.33Å; T441-R446 HydrophobicContact CG2-CB 4.08Å
442	D	97.4	Very high	96.6	Very high	63 Å²	63	62 Å²	62	34%	0.337	31%	0.307	S	S	.	.			trans	-71	107.9	163.2	-176.8	-22.8	0	0	0	108.4	A444 D445 R446 T451	D442-A444 VanDerWaalsContact C-N 3.31Å; D442-A444 PolarHBondContact O-N 2.64Å; D442-A444 WeakPolarHBondContact OD1-CA 3.45Å; D442-A444 WeakPolarHBondContact OD1-CB 3.4Å; D442-A444 PolarHBondContact OD1-N 3.21Å; D442-D445 CarbonylContact O-C 3.58Å; D442-D445 PolarHBondContact OD1-N 2.92Å; D442-R446 WeakPolarHBondContact O-CA 3.47Å; D442-R446 WeakPolarHBondContact O-CB 3.19Å; D442-R446 PolarHBondContact O-N 3.29Å; D442-T451 HydrophobicContact CB-CG2 3.55Å
443	W	97.3	Very high	96.9	Very high	135 Å²	135	61.8 Å²	61.8	51%	0.511	31%	0.306	S	S	.	.	S	Bend	trans	-76.6	-15.2	-178.8	-67.1	101.3	0	0	0	114.3	F438 T441	F438-W443 AromaticContact CD2-CE2 3.69Å; F438-W443 AromaticContact CD2-CZ2 3.51Å; F438-W443 HydrophobicContact CD2-CZ2 3.51Å; F438-W443 AromaticContact CD2-NE1 3.6Å; F438-W443 AromaticContact CE2-CE2 3.81Å; F438-W443 HydrophobicContact CE2-CZ2 4.02Å; F438-W443 AromaticContact CE2-NE1 3.58Å; F438-W443 HydrophobicContact CG-CZ2 4.32Å; F438-W443 PolarHBondContact O-NE1 3.18Å; T441-W443 HydrophobicContact CG2-CD2 3.8Å; T441-W443 HydrophobicContact CG2-CE3 4Å; T441-W443 HydrophobicContact CG2-CG 4.38Å; T441-W443 HydrophobicContact CG2-CH2 3.97Å; T441-W443 HydrophobicContact CG2-CZ2 3.75Å; T441-W443 HydrophobicContact CG2-CZ3 4.08Å; T441-W443 PolarHBondContact O-N 3.46Å; T441-W443 PolarHBondContact O-NE1 3.33Å
444	A	97.5	Very high	97.2	Very high	100 Å²	100	64.4 Å²	64.4	83%	0.826	32%	0.318	S	S	*	.	S	Bend	trans	-80.7	-36.9	173	0	0	0	0	0	111.7	D442	D442-A444 VanDerWaalsContact C-N 3.31Å; D442-A444 PolarHBondContact O-N 2.64Å; D442-A444 WeakPolarHBondContact OD1-CA 3.45Å; D442-A444 WeakPolarHBondContact OD1-CB 3.4Å; D442-A444 PolarHBondContact OD1-N 3.21Å
445	D	96.4	Very high	97.4	Very high	67 Å²	67	60.8 Å²	60.8	36%	0.358	30%	0.303	S	S	.	.	S	Bend	trans	-124.4	31.5	-176.2	-164.6	28.6	0	0	0	114.1	D442 H447 N448 T451	D442-D445 CarbonylContact O-C 3.58Å; D442-D445 PolarHBondContact OD1-N 2.92Å; D445-H447 PolarHBondContact O-N 3.1Å; D445-N448 VanDerWaalsContact CG-CB 3.45Å; D445-N448 WeakPolarHBondContact O-CB 3.45Å; D445-N448 PolarHBondContact O-N 2.73Å; D445-N448 WeakPolarHBondContact OD2-CB 3.44Å; D445-N448 PolarHBondContact OD2-ND2 3.24Å; D445-T451 PolarHBondContact OD2-OG1 2.87Å
446	R	94.6	Very high	97.5	Very high	126 Å²	126	59.3 Å²	59.3	48%	0.475	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-16.3	-169.8	71.5	176.5	-174.2	-85.7	-8.3	117.3	T441 D442	T441-R446 HydrophobicContact CG2-CB 4.08Å; D442-R446 WeakPolarHBondContact O-CA 3.47Å; D442-R446 WeakPolarHBondContact O-CB 3.19Å; D442-R446 PolarHBondContact O-N 3.29Å
447	H	95.1	Very high	97.6	Very high	156 Å²	156	60 Å²	60	72%	0.722	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-20.8	-178.2	-67.7	-57.7	0	0	0	112.9	D445 P449 R452	D445-H447 PolarHBondContact O-N 3.1Å; H447-P449 WeakPolarHBondContact O-CD 3.2Å; H447-R452 PolarHBondContact O-NH1 3.46Å
448	N	97.9	Very high	97.7	Very high	44 Å²	44	59.4 Å²	59.4	24%	0.235	30%	0.298	C	S	.	.			trans	-71.5	120.5	-173.8	-176	-17.3	0	0	0	112.7	D445 E450 T451 R452	D445-N448 VanDerWaalsContact CG-CB 3.45Å; D445-N448 WeakPolarHBondContact O-CB 3.45Å; D445-N448 PolarHBondContact O-N 2.73Å; D445-N448 WeakPolarHBondContact OD2-CB 3.44Å; D445-N448 PolarHBondContact OD2-ND2 3.24Å; N448-E450 WeakPolarHBondContact OD1-CB 3.44Å; N448-E450 PolarHBondContact OD1-N 3.01Å; N448-T451 VanDerWaalsContact CG-OG1 3.27Å; N448-T451 PolarHBondContact ND2-OG1 3.49Å; N448-T451 VanDerWaalsContact ND2-OG1 3.12Å; N448-T451 PolarHBondContact O-N 3.07Å; N448-T451 PolarHBondContact OD1-N 2.94Å; N448-R452 PolarHBondContact O-N 2.99Å
449	P	97.8	Very high	97.7	Very high	52 Å²	52	53.9 Å²	53.9	34%	0.338	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-39.2	177.6	-21.7	34	0	0	0	114.5	G405 I406 H447 T451 R452 R453	G405-P449 VanDerWaalsContact CA-CB 3.42Å; I406-P449 PolarHBondContact N-O 3.03Å; H447-P449 WeakPolarHBondContact O-CD 3.2Å; P449-T451 VanDerWaalsContact C-N 3.33Å; P449-T451 PolarHBondContact O-N 3.17Å; P449-R452 PolarHBondContact O-N 2.68Å; P449-R453 PolarHBondContact O-N 3.49Å
450	E	98	Very high	97.7	Very high	78 Å²	78	50.8 Å²	50.8	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-40.6	176.6	-70.3	-173.9	-115.1	0	0	111.3	N448 R452 R453 K454	N448-E450 WeakPolarHBondContact OD1-CB 3.44Å; N448-E450 PolarHBondContact OD1-N 3.01Å; E450-R452 VanDerWaalsContact C-N 3.32Å; E450-R452 PolarHBondContact O-N 2.93Å; E450-R453 WeakPolarHBondContact O-CB 3.27Å; E450-R453 PolarHBondContact O-N 2.65Å; E450-R453 VanDerWaalsContact O-N 3.16Å; E450-K454 WeakPolarHBondContact O-CB 3.23Å; E450-K454 WeakPolarHBondContact O-CD 3.4Å; E450-K454 VanDerWaalsContact O-CG 3.3Å; E450-K454 WeakPolarHBondContact O-CG 3.31Å; E450-K454 PolarHBondContact O-N 3.23Å; E450-K454 IonicContact OE2-NZ 2.64Å; E450-K454 PolarHBondContact OE2-NZ 2.92Å
451	T	98	Very high	97.8	Very high	22 Å²	22	50.7 Å²	50.7	14%	0.135	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-39.7	-179.8	-57.3	0	0	0	0	110.1	D442 D445 N448 P449 K454 T455	D442-T451 HydrophobicContact CB-CG2 3.55Å; D445-T451 PolarHBondContact OD2-OG1 2.87Å; N448-T451 VanDerWaalsContact CG-OG1 3.27Å; N448-T451 PolarHBondContact ND2-OG1 3.49Å; N448-T451 VanDerWaalsContact ND2-OG1 3.12Å; N448-T451 PolarHBondContact O-N 3.07Å; N448-T451 PolarHBondContact OD1-N 2.94Å; P449-T451 VanDerWaalsContact C-N 3.33Å; P449-T451 PolarHBondContact O-N 3.17Å; T451-K454 PolarHBondContact O-N 2.88Å; T451-T455 WeakPolarHBondContact O-CG2 3.49Å; T451-T455 PolarHBondContact O-N 3.23Å; T451-T455 PolarHBondContact O-OG1 2.9Å
452	R	98.3	Very high	97.8	Very high	39 Å²	39	49 Å²	49	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-40.5	170.4	-69.2	-168.7	-60.9	-95.8	-2.5	112.8	I406 F411 H447 N448 P449 E450 T455 L456	I406-R452 PolarHBondContact O-NE 3.34Å; I406-R452 PolarHBondContact O-NH2 2.92Å; F411-R452 HydrophobicContact CD2-CB 4.17Å; H447-R452 PolarHBondContact O-NH1 3.46Å; N448-R452 PolarHBondContact O-N 2.99Å; P449-R452 PolarHBondContact O-N 2.68Å; E450-R452 VanDerWaalsContact C-N 3.32Å; E450-R452 PolarHBondContact O-N 2.93Å; R452-T455 PolarHBondContact O-N 3.47Å; R452-T455 PolarHBondContact O-OG1 3.11Å; R452-L456 VanDerWaalsContact O-CB 3.27Å; R452-L456 WeakPolarHBondContact O-CB 3.45Å; R452-L456 PolarHBondContact O-N 3.38Å
453	R	98.3	Very high	97.9	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-49	174.1	-171.5	-163.4	78.6	-128.6	4.2	111.3	V400 D404 I406 P449 E450 T455 L456 L457 W500	V400-R453 HydrophobicContact CG2-CG 3.73Å; D404-R453 WeakPolarHBondContact O-CD 3.42Å; D404-R453 PolarHBondContact O-NH1 3.07Å; I406-R453 HydrophobicContact CB-CB 4.27Å; I406-R453 HydrophobicContact CD1-CB 4.12Å; I406-R453 HydrophobicContact CD1-CG 3.88Å; I406-R453 HydrophobicContact CG1-CB 3.91Å; I406-R453 HydrophobicContact CG1-CG 3.98Å; P449-R453 PolarHBondContact O-N 3.49Å; E450-R453 WeakPolarHBondContact O-CB 3.27Å; E450-R453 PolarHBondContact O-N 2.65Å; E450-R453 VanDerWaalsContact O-N 3.16Å; R453-T455 PolarHBondContact O-N 3.13Å; R453-L456 PolarHBondContact O-N 2.88Å; R453-L457 WeakPolarHBondContact O-CB 3.33Å; R453-L457 PolarHBondContact O-N 3.2Å; R453-W500 VanDerWaalsContact NE-CD2 3.32Å; R453-W500 VanDerWaalsContact NH2-CB 3.35Å; R453-W500 VanDerWaalsContact NH2-CE3 3.31Å; R453-W500 PolarHBondContact NH2-O 3Å
454	K	98.3	Very high	97.9	Very high	88 Å²	88	41.3 Å²	41.3	38%	0.383	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-41.8	179.6	-70.8	158.4	-178.6	162.2	0	111.7	E450 T451 A458	E450-K454 WeakPolarHBondContact O-CB 3.23Å; E450-K454 WeakPolarHBondContact O-CD 3.4Å; E450-K454 VanDerWaalsContact O-CG 3.3Å; E450-K454 WeakPolarHBondContact O-CG 3.31Å; E450-K454 PolarHBondContact O-N 3.23Å; E450-K454 IonicContact OE2-NZ 2.64Å; E450-K454 PolarHBondContact OE2-NZ 2.92Å; T451-K454 PolarHBondContact O-N 2.88Å; K454-A458 WeakPolarHBondContact O-CB 3.06Å; K454-A458 PolarHBondContact O-N 3.5Å
455	T	98.4	Very high	98	Very high	27 Å²	27	36.9 Å²	36.9	17%	0.166	18%	0.178	C	C	.	.	H	α-helix	trans	-75	-28.7	177.7	61.9	0	0	0	0	113.9	F411 Y440 T451 R452 R453 L459	F411-T455 WeakPolarHBondContact CE2-OG1 3.34Å; Y440-T455 WeakPolarHBondContact CD1-O 3.38Å; Y440-T455 WeakPolarHBondContact O-CB 3.16Å; Y440-T455 WeakPolarHBondContact O-CG2 3.22Å; Y440-T455 PolarHBondContact O-OG1 2.85Å; T451-T455 WeakPolarHBondContact O-CG2 3.49Å; T451-T455 PolarHBondContact O-N 3.23Å; T451-T455 PolarHBondContact O-OG1 2.9Å; R452-T455 PolarHBondContact O-N 3.47Å; R452-T455 PolarHBondContact O-OG1 3.11Å; R453-T455 PolarHBondContact O-N 3.13Å; T455-L459 WeakPolarHBondContact O-CB 3.46Å; T455-L459 PolarHBondContact O-N 3.35Å
456	L	98.3	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-74.1	-40.4	175	-171.7	61.2	0	0	0	112.5	F395 V396 I399 I406 F411 A414 V415 R452 R453 A458 L459 F460	F395-L456 HydrophobicContact CD1-CG 4.39Å; F395-L456 HydrophobicContact CE1-CD1 3.74Å; F395-L456 HydrophobicContact CE1-CG 3.81Å; F395-L456 HydrophobicContact CZ-CD1 4.38Å; V396-L456 HydrophobicContact CG1-CB 4.02Å; V396-L456 HydrophobicContact CG1-CD2 3.94Å; V396-L456 HydrophobicContact CG1-CG 3.79Å; I399-L456 HydrophobicContact CD1-CD2 3.87Å; I406-L456 HydrophobicContact CD1-CD2 3.92Å; I406-L456 HydrophobicContact CG2-CD2 4.29Å; F411-L456 HydrophobicContact CD2-CB 3.94Å; F411-L456 HydrophobicContact CD2-CD1 4.23Å; F411-L456 HydrophobicContact CD2-CD2 4.43Å; F411-L456 HydrophobicContact CD2-CG 4.44Å; F411-L456 HydrophobicContact CE2-CB 4.07Å; F411-L456 HydrophobicContact CE2-CD1 4.34Å; A414-L456 HydrophobicContact CB-CD1 3.87Å; A414-L456 HydrophobicContact CB-CD2 3.67Å; A414-L456 HydrophobicContact CB-CG 4.33Å; V415-L456 HydrophobicContact CG2-CD1 3.93Å; R452-L456 VanDerWaalsContact O-CB 3.27Å; R452-L456 WeakPolarHBondContact O-CB 3.45Å; R452-L456 PolarHBondContact O-N 3.38Å; R453-L456 PolarHBondContact O-N 2.88Å; L456-A458 VanDerWaalsContact C-N 3.32Å; L456-L459 WeakPolarHBondContact O-CB 3.23Å; L456-L459 PolarHBondContact O-N 3.12Å; L456-F460 PolarHBondContact O-N 3.49Å
457	L	98.6	Very high	98.3	Very high	13 Å²	13	27.8 Å²	27.8	7%	0.068	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-44.6	170.9	-173.7	158.9	0	0	0	110.2	G390 L393 V396 R453 L459 F460 T461 W500	G390-L457 VanDerWaalsContact CA-CD2 3.49Å; L393-L457 HydrophobicContact CD1-CD1 4.33Å; V396-L457 HydrophobicContact CG1-CB 4.16Å; V396-L457 HydrophobicContact CG2-CB 3.91Å; V396-L457 HydrophobicContact CG2-CD1 3.77Å; V396-L457 HydrophobicContact CG2-CG 4.08Å; R453-L457 WeakPolarHBondContact O-CB 3.33Å; R453-L457 PolarHBondContact O-N 3.2Å; L457-L459 PolarHBondContact O-N 3.15Å; L457-F460 PolarHBondContact O-N 2.69Å; L457-T461 WeakPolarHBondContact O-CB 3.39Å; L457-T461 PolarHBondContact O-N 2.78Å; L457-T461 PolarHBondContact O-OG1 2.5Å; L457-W500 HydrophobicContact CD1-CZ3 3.99Å
458	A	98.7	Very high	98.4	Very high	15 Å²	15	21 Å²	21	12%	0.124	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-40.5	174.8	0	0	0	0	0	113	K454 L456 F460 T461 D462	K454-A458 WeakPolarHBondContact O-CB 3.06Å; K454-A458 PolarHBondContact O-N 3.5Å; L456-A458 VanDerWaalsContact C-N 3.32Å; A458-F460 PolarHBondContact O-N 3.5Å; A458-T461 PolarHBondContact O-N 3.35Å; A458-D462 WeakPolarHBondContact O-CB 3.42Å; A458-D462 PolarHBondContact O-N 2.79Å; A458-D462 VanDerWaalsContact O-OD2 3.13Å
459	L	98.7	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.4	-48.6	179	-178.9	163.3	0	0	0	112.1	V415 F418 I436 Y440 T455 L456 L457 D462 H463 W606	V415-L459 HydrophobicContact CG1-CD1 4.39Å; V415-L459 HydrophobicContact CG2-CD1 3.72Å; F418-L459 HydrophobicContact CD1-CD2 3.52Å; F418-L459 HydrophobicContact CD2-CD2 4.49Å; F418-L459 HydrophobicContact CE1-CD2 3.64Å; F418-L459 HydrophobicContact CG-CD2 3.97Å; F418-L459 HydrophobicContact CZ-CD2 4.18Å; I436-L459 HydrophobicContact CG2-CD1 3.59Å; I436-L459 HydrophobicContact CG2-CG 4.29Å; Y440-L459 HydrophobicContact CD1-CB 3.69Å; Y440-L459 HydrophobicContact CD1-CD1 4.48Å; Y440-L459 HydrophobicContact CD1-CG 4.32Å; Y440-L459 HydrophobicContact CD2-CB 4.28Å; Y440-L459 HydrophobicContact CD2-CD1 3.84Å; Y440-L459 HydrophobicContact CD2-CG 4.01Å; Y440-L459 VanDerWaalsContact CE1-CA 3.44Å; Y440-L459 HydrophobicContact CE1-CB 3.79Å; Y440-L459 HydrophobicContact CE1-CG 4.38Å; Y440-L459 HydrophobicContact CE2-CB 4.35Å; Y440-L459 HydrophobicContact CE2-CD1 4.35Å; Y440-L459 HydrophobicContact CE2-CG 4.05Å; Y440-L459 HydrophobicContact CG-CB 3.96Å; Y440-L459 HydrophobicContact CG-CD1 3.9Å; Y440-L459 HydrophobicContact CG-CG 4.15Å; T455-L459 WeakPolarHBondContact O-CB 3.46Å; T455-L459 PolarHBondContact O-N 3.35Å; L456-L459 WeakPolarHBondContact O-CB 3.23Å; L456-L459 PolarHBondContact O-N 3.12Å; L457-L459 PolarHBondContact O-N 3.15Å; L459-D462 PolarHBondContact O-N 3.22Å; L459-H463 PolarHBondContact O-N 3.4Å; L459-H463 VanDerWaalsContact O-N 3.13Å; L459-W606 HydrophobicContact CD2-CZ2 4.37Å; L459-W606 HydrophobicContact CG-CZ2 4.18Å
460	F	98.5	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68	-41.8	178.9	-164.2	-105.8	0	0	0	111.5	V129 W303 Y352 F395 F418 L456 L457 A458 D462 Q464 W465	V129-F460 HydrophobicContact CB-CE1 4.14Å; V129-F460 HydrophobicContact CB-CZ 4.11Å; V129-F460 HydrophobicContact CG2-CZ 4.36Å; W303-F460 HydrophobicContact CH2-CE1 4.17Å; W303-F460 HydrophobicContact CH2-CZ 4.19Å; W303-F460 HydrophobicContact CZ3-CE1 4.36Å; W303-F460 AromaticContact CZ3-CZ 3.93Å; W303-F460 HydrophobicContact CZ3-CZ 3.93Å; Y352-F460 AromaticContact CD1-CE2 3.58Å; Y352-F460 HydrophobicContact CD1-CE2 3.58Å; Y352-F460 AromaticContact CD1-CZ 3.76Å; Y352-F460 HydrophobicContact CD1-CZ 3.76Å; Y352-F460 HydrophobicContact CE1-CD2 4.5Å; Y352-F460 AromaticContact CE1-CE2 3.4Å; Y352-F460 HydrophobicContact CE1-CE2 3.4Å; Y352-F460 VanDerWaalsContact CE1-CE2 3.4Å; Y352-F460 AromaticContact CE1-CZ 3.84Å; Y352-F460 HydrophobicContact CE1-CZ 3.84Å; Y352-F460 HydrophobicContact CG-CE2 4.36Å; F395-F460 HydrophobicContact CB-CB 4.04Å; F395-F460 HydrophobicContact CB-CD1 3.52Å; F395-F460 HydrophobicContact CB-CD2 4.12Å; F395-F460 HydrophobicContact CB-CE1 3.95Å; F395-F460 HydrophobicContact CB-CG 3.62Å; F395-F460 HydrophobicContact CB-CZ 4.42Å; F395-F460 HydrophobicContact CD1-CB 3.41Å; F395-F460 VanDerWaalsContact CD1-CB 3.41Å; F395-F460 HydrophobicContact CD1-CD1 4.46Å; F395-F460 AromaticContact CD1-CD2 3.97Å; F395-F460 HydrophobicContact CD1-CD2 3.97Å; F395-F460 AromaticContact CD1-CG 3.72Å; F395-F460 HydrophobicContact CD1-CG 3.72Å; F395-F460 AromaticContact CD2-CD2 3.6Å; F395-F460 HydrophobicContact CD2-CD2 3.6Å; F395-F460 AromaticContact CD2-CE2 3.84Å; F395-F460 HydrophobicContact CD2-CE2 3.84Å; F395-F460 AromaticContact CD2-CG 3.99Å; F395-F460 HydrophobicContact CD2-CG 3.99Å; F395-F460 HydrophobicContact CD2-CZ 4.38Å; F395-F460 HydrophobicContact CE1-CB 3.92Å; F395-F460 HydrophobicContact CE1-CD2 4.24Å; F395-F460 HydrophobicContact CE1-CG 4.33Å; F395-F460 AromaticContact CE2-CD2 3.93Å; F395-F460 HydrophobicContact CE2-CD2 3.93Å; F395-F460 HydrophobicContact CE2-CE2 4.27Å; F395-F460 HydrophobicContact CG-CB 3.77Å; F395-F460 AromaticContact CG-CD1 3.95Å; F395-F460 HydrophobicContact CG-CD1 3.95Å; F395-F460 AromaticContact CG-CD2 3.63Å; F395-F460 HydrophobicContact CG-CD2 3.63Å; F395-F460 HydrophobicContact CG-CE1 4.47Å; F395-F460 HydrophobicContact CG-CE2 4.2Å; F395-F460 AromaticContact CG-CG 3.5Å; F395-F460 HydrophobicContact CG-CG 3.5Å; F395-F460 HydrophobicContact CZ-CD2 4.23Å; F418-F460 AromaticContact CD2-CD2 3.68Å; F418-F460 HydrophobicContact CD2-CD2 3.68Å; F418-F460 AromaticContact CD2-CE2 3.96Å; F418-F460 HydrophobicContact CD2-CE2 3.96Å; F418-F460 AromaticContact CE2-CD2 3.37Å; F418-F460 HydrophobicContact CE2-CD2 3.37Å; F418-F460 AromaticContact CE2-CE2 3.63Å; F418-F460 HydrophobicContact CE2-CE2 3.63Å; F418-F460 HydrophobicContact CZ-CD2 4.36Å; L456-F460 PolarHBondContact O-N 3.49Å; L457-F460 PolarHBondContact O-N 2.69Å; A458-F460 PolarHBondContact O-N 3.5Å; F460-D462 PolarHBondContact O-N 2.87Å; F460-Q464 HydrophobicContact CD1-CG 4.35Å; F460-Q464 HydrophobicContact CD2-CG 4.14Å; F460-Q464 HydrophobicContact CE1-CG 4.11Å; F460-Q464 HydrophobicContact CE2-CG 3.86Å; F460-Q464 HydrophobicContact CG-CG 4.37Å; F460-Q464 HydrophobicContact CZ-CG 3.85Å; F460-Q464 WeakPolarHBondContact O-CB 3.3Å; F460-Q464 WeakPolarHBondContact O-CG 3.31Å; F460-Q464 PolarHBondContact O-N 2.8Å; F460-W465 HydrophobicContact CD1-CH2 4.19Å; F460-W465 AromaticContact CD1-CZ3 3.65Å; F460-W465 HydrophobicContact CD1-CZ3 3.65Å; F460-W465 AromaticContact CE1-CH2 3.89Å; F460-W465 HydrophobicContact CE1-CH2 3.89Å; F460-W465 AromaticContact CE1-CZ3 3.75Å; F460-W465 HydrophobicContact CE1-CZ3 3.75Å
461	T	98.8	Very high	98.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.9	-47.6	173.7	-57.5	0	0	0	0	111.5	E391 G392 L457 A458 W465 V466	E391-T461 HydrophobicContact CB-CG2 3.98Å; E391-T461 HydrophobicContact CG-CG2 3.89Å; G392-T461 PolarHBondContact N-OG1 3.25Å; L457-T461 WeakPolarHBondContact O-CB 3.39Å; L457-T461 PolarHBondContact O-N 2.78Å; L457-T461 PolarHBondContact O-OG1 2.5Å; A458-T461 PolarHBondContact O-N 3.35Å; T461-W465 PolarHBondContact O-N 2.74Å; T461-W465 VanDerWaalsContact O-N 3.15Å; T461-V466 HydrophobicContact CG2-CG2 4Å; T461-V466 PolarHBondContact O-N 2.84Å; T461-V466 VanDerWaalsContact O-N 3.09Å
462	D	98.8	Very high	98.6	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.065	C	C	.	.	I	π-helix	trans	-64.5	-43.1	-176.6	-79.2	-34.5	0	0	0	112.4	Y440 A458 L459 F460 A467 R599 K602	Y440-D462 WeakPolarHBondContact CE1-OD2 3.33Å; Y440-D462 WeakPolarHBondContact OH-CB 3.26Å; Y440-D462 PolarHBondContact OH-OD2 3.17Å; A458-D462 WeakPolarHBondContact O-CB 3.42Å; A458-D462 PolarHBondContact O-N 2.79Å; A458-D462 VanDerWaalsContact O-OD2 3.13Å; L459-D462 PolarHBondContact O-N 3.22Å; F460-D462 PolarHBondContact O-N 2.87Å; D462-A467 WeakPolarHBondContact O-CB 3.19Å; D462-A467 PolarHBondContact O-N 3.09Å; D462-R599 VanDerWaalsContact CG-NH2 3.3Å; D462-R599 IonicContact OD1-CZ 2.81Å; D462-R599 VanDerWaalsContact OD1-CZ 3.3Å; D462-R599 IonicContact OD1-NE 3.71Å; D462-R599 PolarHBondContact OD1-NE 3.37Å; D462-R599 IonicContact OD1-NH2 3.39Å; D462-R599 PolarHBondContact OD1-NH2 2.91Å; D462-R599 VanDerWaalsContact OD1-NH2 3.13Å; D462-R599 IonicContact OD2-CZ 3.26Å; D462-R599 IonicContact OD2-NE 3.67Å; D462-R599 IonicContact OD2-NH2 3.26Å; D462-R599 PolarHBondContact OD2-NH2 3.33Å; D462-K602 HydrophobicContact CB-CB 4.42Å; D462-K602 WeakPolarHBondContact OD2-CB 3.24Å; D462-K602 WeakPolarHBondContact OD2-CG 3.44Å
463	H	98.7	Very high	98.6	Very high	33 Å²	33	10.9 Å²	10.9	15%	0.153	6%	0.058	C	C	.	.	I	π-helix	trans	-78.4	-48.1	-179	-175.6	-83.7	0	0	0	112.9	F418 Y423 L459 P468 W606	F418-H463 HydrophobicContact CE1-CB 4.11Å; F418-H463 HydrophobicContact CZ-CB 3.67Å; F418-H463 AromaticContact CZ-CG 3.6Å; F418-H463 AromaticContact CZ-ND1 3.66Å; Y423-H463 AromaticContact CZ-NE2 3.82Å; Y423-H463 PolarHBondContact OH-CD2 2.76Å; Y423-H463 PolarHBondContact OH-NE2 2.9Å; L459-H463 PolarHBondContact O-N 3.4Å; L459-H463 VanDerWaalsContact O-N 3.13Å; H463-P468 WeakPolarHBondContact O-CD 3.36Å; H463-P468 VanDerWaalsContact O-CG 3.29Å; H463-P468 WeakPolarHBondContact O-CG 3.17Å; H463-W606 HydrophobicContact CB-CD2 4.29Å; H463-W606 HydrophobicContact CB-CZ2 3.97Å; H463-W606 AromaticContact CD2-CD2 3.75Å; H463-W606 AromaticContact CD2-CE3 3.57Å; H463-W606 AromaticContact CD2-CZ3 3.79Å
464	Q	98.3	Very high	98.6	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.009	6%	0.062	C	C	.	.	I	π-helix	trans	-79.3	-25.5	-171.3	-64.2	-56.3	113.4	0	0	113.7	S301 S302 W303 F460	S301-Q464 WeakPolarHBondContact CB-O 3.37Å; S302-Q464 PolarHBondContact OG-NE2 2.9Å; W303-Q464 HydrophobicContact CH2-CB 3.53Å; W303-Q464 HydrophobicContact CH2-CG 3.6Å; W303-Q464 HydrophobicContact CZ2-CB 3.74Å; W303-Q464 HydrophobicContact CZ2-CG 4.25Å; W303-Q464 HydrophobicContact CZ3-CB 4.24Å; W303-Q464 HydrophobicContact CZ3-CG 3.83Å; F460-Q464 HydrophobicContact CD1-CG 4.35Å; F460-Q464 HydrophobicContact CD2-CG 4.14Å; F460-Q464 HydrophobicContact CE1-CG 4.11Å; F460-Q464 HydrophobicContact CE2-CG 3.86Å; F460-Q464 HydrophobicContact CG-CG 4.37Å; F460-Q464 HydrophobicContact CZ-CG 3.85Å; F460-Q464 WeakPolarHBondContact O-CB 3.3Å; F460-Q464 WeakPolarHBondContact O-CG 3.31Å; F460-Q464 PolarHBondContact O-N 2.8Å
465	W	98.8	Very high	98.6	Very high	8 Å²	8	8.8 Å²	8.8	3%	0.03	5%	0.051	C	C	.	.	I	π-helix	trans	-126.4	-54.1	-176.7	-67.1	-89.6	0	0	0	113.9	S296 W303 V387 E391 F460 T461 A469 H505	S296-W465 PolarHBondContact O-NE1 3.3Å; S296-W465 VanDerWaalsContact O-NE1 3.09Å; W303-W465 AromaticContact CH2-CH2 3.67Å; W303-W465 HydrophobicContact CH2-CH2 3.67Å; W303-W465 AromaticContact CH2-CZ2 3.77Å; W303-W465 HydrophobicContact CH2-CZ2 3.77Å; W303-W465 HydrophobicContact CH2-CZ3 4.09Å; W303-W465 HydrophobicContact CZ2-CD2 4.34Å; W303-W465 AromaticContact CZ2-CE2 3.81Å; W303-W465 HydrophobicContact CZ2-CH2 4.04Å; W303-W465 AromaticContact CZ2-CZ2 3.66Å; W303-W465 HydrophobicContact CZ2-CZ2 3.66Å; W303-W465 HydrophobicContact CZ2-CZ3 4.49Å; V387-W465 HydrophobicContact CG1-CB 3.99Å; E391-W465 HydrophobicContact CB-CD2 3.48Å; E391-W465 VanDerWaalsContact CB-CD2 3.48Å; E391-W465 HydrophobicContact CB-CE3 3.38Å; E391-W465 HydrophobicContact CB-CG 4.08Å; E391-W465 HydrophobicContact CB-CH2 3.91Å; E391-W465 HydrophobicContact CB-CZ2 4.02Å; E391-W465 HydrophobicContact CB-CZ3 3.61Å; E391-W465 HydrophobicContact CG-CB 4.02Å; E391-W465 HydrophobicContact CG-CD2 3.76Å; E391-W465 HydrophobicContact CG-CE3 4.04Å; E391-W465 HydrophobicContact CG-CG 3.78Å; F460-W465 HydrophobicContact CD1-CH2 4.19Å; F460-W465 AromaticContact CD1-CZ3 3.65Å; F460-W465 HydrophobicContact CD1-CZ3 3.65Å; F460-W465 AromaticContact CE1-CH2 3.89Å; F460-W465 HydrophobicContact CE1-CH2 3.89Å; F460-W465 AromaticContact CE1-CZ3 3.75Å; F460-W465 HydrophobicContact CE1-CZ3 3.75Å; T461-W465 PolarHBondContact O-N 2.74Å; T461-W465 VanDerWaalsContact O-N 3.15Å; W465-A469 WeakPolarHBondContact O-CB 3.3Å; W465-A469 PolarHBondContact O-N 3.01Å; W465-H505 AromaticContact CE2-ND1 3.95Å; W465-H505 HydrophobicContact CZ2-CB 4.41Å; W465-H505 AromaticContact NE1-CE1 3.59Å; W465-H505 AromaticContact NE1-ND1 3.57Å
466	V	98.9	Very high	98.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-67.9	-51.5	-167.6	-171.9	0	0	0	0	112.6	V387 T461 A469 V470 Y598 V603	V387-V466 HydrophobicContact CG2-CG2 4.21Å; T461-V466 HydrophobicContact CG2-CG2 4Å; T461-V466 PolarHBondContact O-N 2.84Å; T461-V466 VanDerWaalsContact O-N 3.09Å; V466-A469 PolarHBondContact O-N 3.4Å; V466-V470 HydrophobicContact CG1-CG2 4.44Å; V466-V470 WeakPolarHBondContact O-CG2 3.38Å; V466-V470 PolarHBondContact O-N 2.95Å; V466-Y598 HydrophobicContact CG1-CD1 3.61Å; V466-Y598 HydrophobicContact CG1-CE1 3.58Å; V466-Y598 HydrophobicContact CG2-CE1 4.12Å; V466-V603 HydrophobicContact CG1-CG2 3.91Å
467	A	98.8	Very high	98.5	Very high	2 Å²	2	8.6 Å²	8.6	2%	0.017	5%	0.05	C	C	.	.	H	α-helix	trans	-64.7	-44.6	-179.5	0	0	0	0	0	112.4	D462 A469 V470 A471 V603 W606 L607	D462-A467 WeakPolarHBondContact O-CB 3.19Å; D462-A467 PolarHBondContact O-N 3.09Å; A467-A469 PolarHBondContact O-N 2.92Å; A467-V470 PolarHBondContact O-N 2.96Å; A467-A471 WeakPolarHBondContact O-CB 3.46Å; A467-A471 PolarHBondContact O-N 3Å; A467-V603 HydrophobicContact CB-CG1 4.47Å; A467-W606 HydrophobicContact CB-CB 3.86Å; A467-W606 HydrophobicContact CB-CG 4.42Å; A467-L607 HydrophobicContact CB-CD2 4.11Å; A467-L607 HydrophobicContact CB-CG 4.26Å
468	P	98.8	Very high	98.3	Very high	12 Å²	12	12.2 Å²	12.2	8%	0.078	7%	0.07	C	C	.	.	H	α-helix	trans	-56.4	-43.2	169.9	-29.2	36.7	0	0	0	113.9	T298 L300 H463 A471 T472	T298-P468 HydrophobicContact CG2-CB 4.33Å; T298-P468 WeakPolarHBondContact OG1-CB 3.46Å; L300-P468 HydrophobicContact CB-CB 4.23Å; H463-P468 WeakPolarHBondContact O-CD 3.36Å; H463-P468 VanDerWaalsContact O-CG 3.29Å; H463-P468 WeakPolarHBondContact O-CG 3.17Å; P468-A471 PolarHBondContact O-N 2.91Å; P468-T472 PolarHBondContact O-N 2.83Å; P468-T472 PolarHBondContact O-OG1 3.39Å
469	A	98.9	Very high	98.1	Very high	3 Å²	3	16 Å²	16	3%	0.025	8%	0.084	C	C	.	.	H	α-helix	trans	-65	-42.6	178.5	0	0	0	0	0	112.4	T298 L385 V387 W465 V466 A467 T472 A473 F485	T298-A469 HydrophobicContact CG2-CB 4.26Å; L385-A469 HydrophobicContact CD1-CB 3.86Å; L385-A469 WeakPolarHBondContact CD1-O 3.24Å; V387-A469 HydrophobicContact CG1-CB 3.78Å; W465-A469 WeakPolarHBondContact O-CB 3.3Å; W465-A469 PolarHBondContact O-N 3.01Å; V466-A469 PolarHBondContact O-N 3.4Å; A467-A469 PolarHBondContact O-N 2.92Å; A469-T472 PolarHBondContact O-N 3.32Å; A469-A473 WeakPolarHBondContact O-CB 3.49Å; A469-A473 PolarHBondContact O-N 2.93Å; A469-F485 HydrophobicContact CB-CE2 4Å; A469-F485 HydrophobicContact CB-CZ 4.12Å
470	V	98.8	Very high	97.7	Very high	6 Å²	6	18.2 Å²	18.2	4%	0.036	11%	0.106	C	C	.	.	H	α-helix	trans	-69.4	-38.2	177.3	174.8	0	0	0	0	111.4	V466 A467 A473 D474 F485 V603	V466-V470 HydrophobicContact CG1-CG2 4.44Å; V466-V470 WeakPolarHBondContact O-CG2 3.38Å; V466-V470 PolarHBondContact O-N 2.95Å; A467-V470 PolarHBondContact O-N 2.96Å; V470-A473 PolarHBondContact O-N 3.27Å; V470-D474 WeakPolarHBondContact O-CB 3.48Å; V470-D474 PolarHBondContact O-N 2.83Å; V470-F485 HydrophobicContact CG2-CE2 3.89Å; V470-F485 HydrophobicContact CG2-CZ 3.85Å; V470-V603 HydrophobicContact CB-CG1 3.92Å; V470-V603 HydrophobicContact CB-CG2 4.43Å; V470-V603 HydrophobicContact CG1-CG1 3.79Å; V470-V603 HydrophobicContact CG2-CG2 4.17Å
471	A	98.7	Very high	97.5	Very high	11 Å²	11	18.3 Å²	18.3	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-48.2	173.3	0	0	0	0	0	111.8	L300 A467 P468 A473 D474 L475 L607	L300-A471 HydrophobicContact CD1-CB 4.02Å; A467-A471 WeakPolarHBondContact O-CB 3.46Å; A467-A471 PolarHBondContact O-N 3Å; P468-A471 PolarHBondContact O-N 2.91Å; A471-A473 PolarHBondContact O-N 2.8Å; A471-D474 PolarHBondContact O-N 2.86Å; A471-L475 WeakPolarHBondContact O-CB 3.45Å; A471-L475 VanDerWaalsContact O-CG 3.31Å; A471-L475 WeakPolarHBondContact O-CG 3.42Å; A471-L475 PolarHBondContact O-N 2.94Å; A471-L607 HydrophobicContact CB-CD1 4.02Å; A471-L607 HydrophobicContact CB-CD2 4.17Å
472	T	98.6	Very high	97.5	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-42.3	173.8	-63.4	0	0	0	0	112.2	N268 L300 M373 L385 P468 A469 H476	N268-T472 WeakPolarHBondContact OD1-CG2 3.37Å; L300-T472 WeakPolarHBondContact CD1-OG1 3.4Å; M373-T472 HydrophobicContact CE-CG2 3.8Å; M373-T472 HydrophobicContact SD-CG2 4.02Å; L385-T472 HydrophobicContact CD2-CG2 4.23Å; P468-T472 PolarHBondContact O-N 2.83Å; P468-T472 PolarHBondContact O-OG1 3.39Å; A469-T472 PolarHBondContact O-N 3.32Å; T472-H476 WeakPolarHBondContact O-CB 3.42Å; T472-H476 PolarHBondContact O-N 3.43Å
473	A	98.6	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68	-41.7	179.8	0	0	0	0	0	113.3	L385 A469 V470 A471 S477 T483 F485 Y578	L385-A473 HydrophobicContact CD1-CB 4.28Å; L385-A473 HydrophobicContact CD2-CB 4.07Å; A469-A473 WeakPolarHBondContact O-CB 3.49Å; A469-A473 PolarHBondContact O-N 2.93Å; V470-A473 PolarHBondContact O-N 3.27Å; A471-A473 PolarHBondContact O-N 2.8Å; A473-S477 WeakPolarHBondContact O-CB 3.43Å; A473-S477 PolarHBondContact O-N 3.06Å; A473-S477 PolarHBondContact O-OG 2.88Å; A473-S477 VanDerWaalsContact O-OG 3.05Å; A473-T483 HydrophobicContact CB-CG2 4.22Å; A473-F485 HydrophobicContact CB-CD2 3.78Å; A473-F485 HydrophobicContact CB-CE2 4.23Å; A473-Y578 HydrophobicContact CB-CD1 3.89Å; A473-Y578 HydrophobicContact CB-CE1 3.59Å; A473-Y578 HydrophobicContact CB-CE2 4.43Å; A473-Y578 HydrophobicContact CB-CG 4.45Å
474	D	98.4	Very high	97.5	Very high	18 Å²	18	18.4 Å²	18.4	10%	0.096	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-54.8	175.6	-89	10.4	0	0	0	110.2	V470 A471 H476 S477 N478 Y578 Q580 Q583	V470-D474 WeakPolarHBondContact O-CB 3.48Å; V470-D474 PolarHBondContact O-N 2.83Å; A471-D474 PolarHBondContact O-N 2.86Å; D474-H476 PolarHBondContact O-N 2.94Å; D474-S477 PolarHBondContact O-N 3.36Å; D474-S477 PolarHBondContact O-OG 3.44Å; D474-S477 VanDerWaalsContact O-OG 3.07Å; D474-N478 WeakPolarHBondContact O-CB 3.47Å; D474-N478 VanDerWaalsContact O-CG 3.23Å; D474-N478 PolarHBondContact O-N 2.62Å; D474-Y578 VanDerWaalsContact OD1-CE1 3.3Å; D474-Y578 WeakPolarHBondContact OD1-CE1 3.25Å; D474-Y578 PolarHBondContact OD1-OH 3.01Å; D474-Q580 HydrophobicContact CB-CB 4.21Å; D474-Q580 HydrophobicContact CB-CG 4.29Å; D474-Q580 VanDerWaalsContact CG-NE2 3.35Å; D474-Q580 WeakPolarHBondContact OD1-CA 3.3Å; D474-Q580 WeakPolarHBondContact OD2-CG 3.36Å; D474-Q580 PolarHBondContact OD2-NE2 3.31Å; D474-Q583 PolarHBondContact OD1-NE2 3.04Å; D474-Q583 PolarHBondContact OD2-NE2 2.79Å
475	L	97.3	Very high	97.5	Very high	31 Å²	31	18.3 Å²	18.3	16%	0.162	11%	0.108	C	C	.	.	H	α-helix	trans	-57.4	-52.3	179	-69.3	169.9	0	0	0	111.3	M373 E374 A471 S477 N478 F479	M373-L475 HydrophobicContact CB-CB 4.36Å; M373-L475 HydrophobicContact CB-CD1 3.63Å; E374-L475 HydrophobicContact CG-CD2 4.32Å; A471-L475 WeakPolarHBondContact O-CB 3.45Å; A471-L475 VanDerWaalsContact O-CG 3.31Å; A471-L475 WeakPolarHBondContact O-CG 3.42Å; A471-L475 PolarHBondContact O-N 2.94Å; L475-S477 VanDerWaalsContact C-N 3.33Å; L475-S477 PolarHBondContact O-N 3.19Å; L475-N478 PolarHBondContact O-N 3.38Å; L475-N478 VanDerWaalsContact O-N 3.16Å; L475-F479 WeakPolarHBondContact O-CD2 3.44Å; L475-F479 PolarHBondContact O-N 2.95Å
476	H	97.1	Very high	97.5	Very high	7 Å²	7	18 Å²	18	3%	0.032	11%	0.107	C	C	.	.	H	α-helix	trans	-60.4	-40.2	179.7	-172.1	-104.3	0	0	0	112.9	F378 Y381 I383 T472 D474 S481 T483	F378-H476 AromaticContact CD2-CD2 3.82Å; F378-H476 AromaticContact CE2-CD2 3.41Å; F378-H476 VanDerWaalsContact CE2-CD2 3.41Å; F378-H476 WeakPolarHBondContact CE2-CD2 3.18Å; Y381-H476 PolarHBondContact O-CE1 3.41Å; Y381-H476 VanDerWaalsContact O-CE1 3.27Å; Y381-H476 PolarHBondContact O-NE2 3.3Å; I383-H476 VanDerWaalsContact CD1-NE2 3.35Å; I383-H476 WeakPolarHBondContact CD1-NE2 3.12Å; I383-H476 WeakPolarHBondContact CG1-CE1 3.37Å; I383-H476 WeakPolarHBondContact CG1-NE2 3.3Å; T472-H476 WeakPolarHBondContact O-CB 3.42Å; T472-H476 PolarHBondContact O-N 3.43Å; D474-H476 PolarHBondContact O-N 2.94Å; H476-S481 WeakPolarHBondContact CE1-CB 3.4Å; H476-S481 VanDerWaalsContact NE2-CB 3.25Å; H476-S481 WeakPolarHBondContact NE2-CB 3.24Å; H476-S481 WeakPolarHBondContact O-CB 3.38Å; H476-S481 PolarHBondContact O-N 3.34Å; H476-T483 PolarHBondContact ND1-OG1 2.75Å
477	S	96.9	Very high	97.5	Very high	16 Å²	16	18 Å²	18	11%	0.112	11%	0.107	C	C	.	.	H	α-helix	trans	-72.6	-28.3	177.9	76.4	0	0	0	0	113.6	A473 D474 L475 G480 Q580	A473-S477 WeakPolarHBondContact O-CB 3.43Å; A473-S477 PolarHBondContact O-N 3.06Å; A473-S477 PolarHBondContact O-OG 2.88Å; A473-S477 VanDerWaalsContact O-OG 3.05Å; D474-S477 PolarHBondContact O-N 3.36Å; D474-S477 PolarHBondContact O-OG 3.44Å; D474-S477 VanDerWaalsContact O-OG 3.07Å; L475-S477 VanDerWaalsContact C-N 3.33Å; L475-S477 PolarHBondContact O-N 3.19Å; S477-G480 WeakPolarHBondContact O-CA 3.3Å; S477-G480 PolarHBondContact O-N 3.31Å; S477-Q580 PolarHBondContact OG-N 3.25Å
478	N	95.9	Very high	97.5	Very high	88 Å²	88	17.9 Å²	17.9	47%	0.471	11%	0.106	S	C	.	.	H	α-helix	trans	-69.8	-32.8	178.9	-81.8	-12.8	0	0	0	113.1	D474 L475 G480 Q580	D474-N478 WeakPolarHBondContact O-CB 3.47Å; D474-N478 VanDerWaalsContact O-CG 3.23Å; D474-N478 PolarHBondContact O-N 2.62Å; L475-N478 PolarHBondContact O-N 3.38Å; L475-N478 VanDerWaalsContact O-N 3.16Å; N478-G480 PolarHBondContact O-N 2.88Å; N478-Q580 PolarHBondContact ND2-OE1 3.03Å; N478-Q580 WeakPolarHBondContact OD1-CB 3.36Å; N478-Q580 PolarHBondContact OD1-OE1 3.49Å
479	F	93.4	Very high	97.5	Very high	96 Å²	96	20 Å²	20	42%	0.421	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	8.2	169.1	-70.9	-82.5	0	0	0	113.2	M373 G376 F378 L475 S481	M373-F479 WeakPolarHBondContact O-CE2 3.21Å; G376-F479 VanDerWaalsContact CA-CZ 3.42Å; F378-F479 HydrophobicContact CE1-CD2 4.12Å; F378-F479 HydrophobicContact CE2-CB 4.22Å; F378-F479 HydrophobicContact CZ-CB 4Å; F378-F479 AromaticContact CZ-CD2 3.64Å; F378-F479 HydrophobicContact CZ-CD2 3.64Å; F378-F479 HydrophobicContact CZ-CE2 4.47Å; F378-F479 HydrophobicContact CZ-CG 4.04Å; L475-F479 WeakPolarHBondContact O-CD2 3.44Å; L475-F479 PolarHBondContact O-N 2.95Å; F479-S481 VanDerWaalsContact C-N 3.35Å
480	G	91.5	Very high	97.5	Very high	46 Å²	46	21.3 Å²	21.3	47%	0.474	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-6.9	171.5	0	0	0	0	0	115.1	S477 N478 R577	S477-G480 WeakPolarHBondContact O-CA 3.3Å; S477-G480 PolarHBondContact O-N 3.31Å; N478-G480 PolarHBondContact O-N 2.88Å; G480-R577 PolarHBondContact O-NH2 3.35Å
481	S	93.9	Very high	97.4	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	13%	0.125	C	C	.	.			trans	-65.3	146.8	-172.4	-51.7	0	0	0	0	113.2	N380 H476 F479 T483 R577	N380-S481 VanDerWaalsContact CG-OG 3.31Å; N380-S481 PolarHBondContact ND2-OG 3.49Å; N380-S481 PolarHBondContact OD1-OG 3.16Å; H476-S481 WeakPolarHBondContact CE1-CB 3.4Å; H476-S481 VanDerWaalsContact NE2-CB 3.25Å; H476-S481 WeakPolarHBondContact NE2-CB 3.24Å; H476-S481 WeakPolarHBondContact O-CB 3.38Å; H476-S481 PolarHBondContact O-N 3.34Å; F479-S481 VanDerWaalsContact C-N 3.35Å; S481-T483 PolarHBondContact O-N 3Å; S481-T483 VanDerWaalsContact O-N 3.14Å; S481-T483 PolarHBondContact O-OG1 3.44Å; S481-T483 VanDerWaalsContact O-OG1 3.1Å; S481-R577 PolarHBondContact O-NH2 3.16Å
482	P	97.8	Very high	97.1	Very high	23 Å²	23	23.2 Å²	23.2	15%	0.149	13%	0.127	C	C	.	.			trans	-62.8	115.5	176.2	-25.6	39.5	0	0	0	111.7	D382 I383	D382-P482 HydrophobicContact CB-CB 4.32Å; D382-P482 WeakPolarHBondContact OD1-CB 3.32Å; D382-P482 VanDerWaalsContact OD1-CG 3.23Å; D382-P482 WeakPolarHBondContact OD1-CG 3.47Å; I383-P482 PolarHBondContact N-O 2.89Å
483	T	98.8	Very high	96.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.6	-175.7	-50	0	0	0	0	109.5	I383 L385 A473 H476 S481 Y578	I383-T483 CarbonylContact O-C 3.57Å; I383-T483 VanDerWaalsContact O-CA 3.27Å; I383-T483 WeakPolarHBondContact O-CA 3.23Å; L385-T483 HydrophobicContact CD2-CG2 4.44Å; A473-T483 HydrophobicContact CB-CG2 4.22Å; H476-T483 PolarHBondContact ND1-OG1 2.75Å; S481-T483 PolarHBondContact O-N 3Å; S481-T483 VanDerWaalsContact O-N 3.14Å; S481-T483 PolarHBondContact O-OG1 3.44Å; S481-T483 VanDerWaalsContact O-OG1 3.1Å; T483-Y578 HydrophobicContact CG2-CD1 4.14Å; T483-Y578 HydrophobicContact CG2-CG 4.37Å; T483-Y578 PolarHBondContact O-N 3.34Å
484	Y	98.9	Very high	95.8	Very high	13 Å²	13	29.9 Å²	29.9	5%	0.051	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.7	174.3	-63.4	-90.7	0	0	0	110.2	I383 M384 L385 F546 G550 P552 W575 R577	I383-Y484 PolarHBondContact O-N 2.71Å; M384-Y484 CarbonylContact C-O 3.54Å; M384-Y484 WeakPolarHBondContact CA-O 3.44Å; L385-Y484 PolarHBondContact N-O 3.5Å; Y484-F546 HydrophobicContact CD2-CD2 4.24Å; Y484-F546 AromaticContact CD2-CE2 3.9Å; Y484-F546 HydrophobicContact CD2-CE2 3.9Å; Y484-F546 HydrophobicContact CE2-CD2 4.36Å; Y484-F546 HydrophobicContact CE2-CE2 4.13Å; Y484-G550 VanDerWaalsContact CE2-O 3.28Å; Y484-G550 WeakPolarHBondContact CE2-O 3.28Å; Y484-P552 HydrophobicContact CD1-CG 3.71Å; Y484-P552 VanDerWaalsContact CE1-CD 3.46Å; Y484-P552 HydrophobicContact CE1-CG 3.83Å; Y484-P552 HydrophobicContact CG-CG 4.07Å; Y484-P552 VanDerWaalsContact CZ-CD 3.42Å; Y484-W575 HydrophobicContact CD1-CG 4.38Å; Y484-R577 HydrophobicContact CD1-CG 4.23Å; Y484-R577 HydrophobicContact CE1-CB 4.27Å; Y484-R577 HydrophobicContact CE1-CG 3.49Å; Y484-R577 VanDerWaalsContact CE1-CG 3.49Å; Y484-R577 HydrophobicContact CE2-CG 4.11Å; Y484-R577 VanDerWaalsContact CZ-CG 3.43Å; Y484-R577 WeakPolarHBondContact OH-CG 3.38Å
485	F	98.9	Very high	95.2	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.3	178.9	-158.8	-79.9	0	0	0	111.2	L385 V387 A469 V470 A473 W575 Y578 Y585 L586 Y598	L385-F485 HydrophobicContact CD1-CD2 3.64Å; L385-F485 HydrophobicContact CD1-CE2 3.51Å; L385-F485 HydrophobicContact CG-CD2 4.19Å; L385-F485 CarbonylContact O-C 3.51Å; L385-F485 VanDerWaalsContact O-CA 3.27Å; L385-F485 WeakPolarHBondContact O-CA 3.24Å; V387-F485 HydrophobicContact CG2-CE1 4.39Å; V387-F485 HydrophobicContact CG2-CZ 4.36Å; A469-F485 HydrophobicContact CB-CE2 4Å; A469-F485 HydrophobicContact CB-CZ 4.12Å; V470-F485 HydrophobicContact CG2-CE2 3.89Å; V470-F485 HydrophobicContact CG2-CZ 3.85Å; A473-F485 HydrophobicContact CB-CD2 3.78Å; A473-F485 HydrophobicContact CB-CE2 4.23Å; F485-W575 PolarHBondContact O-NE1 2.84Å; F485-Y578 HydrophobicContact CB-CD2 3.48Å; F485-Y578 VanDerWaalsContact CB-CD2 3.48Å; F485-Y578 HydrophobicContact CB-CE2 4.07Å; F485-Y578 HydrophobicContact CB-CG 4.14Å; F485-Y578 HydrophobicContact CD2-CD2 4.44Å; F485-Y578 HydrophobicContact CD2-CE2 4.31Å; F485-Y578 HydrophobicContact CG-CD2 4.2Å; F485-Y578 HydrophobicContact CG-CE2 4.3Å; F485-Y585 HydrophobicContact CD1-CG 4.41Å; F485-Y585 VanDerWaalsContact O-CA 3.25Å; F485-Y585 WeakPolarHBondContact O-CA 3.44Å; F485-Y585 WeakPolarHBondContact O-CB 3.23Å; F485-L586 PolarHBondContact O-N 2.76Å; F485-Y598 AromaticContact CE1-CD1 3.97Å; F485-Y598 HydrophobicContact CE1-CD1 3.97Å; F485-Y598 HydrophobicContact CE1-CG 4.47Å; F485-Y598 HydrophobicContact CZ-CD1 4.39Å
486	Y	98.9	Very high	94.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.3	167.6	73.4	-94.1	0	0	0	112.8	Q295 M384 L385 G386 V387 F488 W543 W575 L586 I588	Q295-Y486 WeakPolarHBondContact CA-OH 3.42Å; Q295-Y486 WeakPolarHBondContact CB-OH 3.43Å; Q295-Y486 WeakPolarHBondContact CG-OH 3.4Å; M384-Y486 HydrophobicContact CG-CD1 4.48Å; L385-Y486 VanDerWaalsContact O-CD1 3.31Å; L385-Y486 WeakPolarHBondContact O-CD1 3.32Å; L385-Y486 PolarHBondContact O-N 3.03Å; G386-Y486 WeakPolarHBondContact CA-O 3.38Å; V387-Y486 PolarHBondContact N-O 3.35Å; Y486-F488 HydrophobicContact CD2-CB 4.27Å; Y486-F488 HydrophobicContact CE2-CB 4.12Å; Y486-W543 AromaticContact CD1-CH2 3.92Å; Y486-W543 HydrophobicContact CD1-CH2 3.92Å; Y486-W543 HydrophobicContact CD1-CZ2 4.41Å; Y486-W543 AromaticContact CE1-CH2 3.8Å; Y486-W543 HydrophobicContact CE1-CH2 3.8Å; Y486-W543 AromaticContact CE1-CZ2 3.86Å; Y486-W543 HydrophobicContact CE1-CZ2 3.86Å; Y486-W543 HydrophobicContact CG-CH2 4.36Å; Y486-W575 AromaticContact CD1-CH2 3.97Å; Y486-W575 HydrophobicContact CD1-CH2 3.97Å; Y486-W575 HydrophobicContact CD1-CZ2 4.21Å; Y486-W575 HydrophobicContact CG-CH2 4.31Å; Y486-W575 HydrophobicContact CG-CZ2 4.43Å; Y486-L586 WeakPolarHBondContact CA-O 3.44Å; Y486-I588 HydrophobicContact CD2-CD1 4.01Å; Y486-I588 HydrophobicContact CG-CD1 3.87Å
487	A	98.9	Very high	94.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.8	162.2	0	0	0	0	0	109.8	V387 Y489 Y585 L586 I588 Y598	V387-A487 CarbonylContact O-C 3.54Å; V387-A487 VanDerWaalsContact O-CA 3.29Å; V387-A487 WeakPolarHBondContact O-CA 3.33Å; A487-Y489 HydrophobicContact CB-CD2 4Å; A487-Y489 HydrophobicContact CB-CE2 3.77Å; A487-Y585 HydrophobicContact CB-CD2 3.9Å; A487-Y585 HydrophobicContact CB-CE2 3.88Å; A487-L586 PolarHBondContact N-O 3.45Å; A487-I588 PolarHBondContact O-N 3.2Å; A487-Y598 HydrophobicContact CB-CD2 4.06Å; A487-Y598 HydrophobicContact CB-CE1 4.18Å; A487-Y598 HydrophobicContact CB-CE2 3.64Å; A487-Y598 HydrophobicContact CB-CG 4.49Å
488	F	98.9	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.3	-174.1	-150.5	-103	0	0	0	110.9	V387 N388 Q389 Y486 H490 E508 Y511 L535 V539 I588	V387-F488 PolarHBondContact O-N 3.46Å; N388-F488 HydrophobicContact CB-CB 4.41Å; N388-F488 WeakPolarHBondContact OD1-CB 3.41Å; Q389-F488 WeakPolarHBondContact CB-O 3.25Å; Q389-F488 PolarHBondContact N-O 3.45Å; Y486-F488 HydrophobicContact CD2-CB 4.27Å; Y486-F488 HydrophobicContact CE2-CB 4.12Å; F488-H490 WeakPolarHBondContact CD1-O 3.27Å; F488-H490 WeakPolarHBondContact CE1-O 3.37Å; F488-E508 HydrophobicContact CD1-CB 3.79Å; F488-E508 HydrophobicContact CD2-CB 3.96Å; F488-E508 HydrophobicContact CE1-CB 3.79Å; F488-E508 HydrophobicContact CE2-CB 3.96Å; F488-E508 HydrophobicContact CG-CB 3.89Å; F488-E508 HydrophobicContact CZ-CB 3.89Å; F488-Y511 AromaticContact CE1-CD2 3.89Å; F488-Y511 HydrophobicContact CE1-CD2 3.89Å; F488-Y511 HydrophobicContact CE1-CE2 4.18Å; F488-Y511 AromaticContact CZ-CD2 3.69Å; F488-Y511 HydrophobicContact CZ-CD2 3.69Å; F488-Y511 HydrophobicContact CZ-CE2 4.32Å; F488-Y511 AromaticContact CZ-CG 3.87Å; F488-Y511 HydrophobicContact CZ-CG 3.87Å; F488-L535 HydrophobicContact CZ-CD2 4.3Å; F488-V539 HydrophobicContact CE2-CG2 3.99Å; F488-I588 HydrophobicContact CD2-CB 3.85Å; F488-I588 HydrophobicContact CD2-CD1 4.33Å; F488-I588 HydrophobicContact CD2-CG2 3.61Å; F488-I588 HydrophobicContact CE2-CB 4.3Å; F488-I588 HydrophobicContact CE2-CG2 3.52Å
489	Y	98.5	Very high	94.2	Very high	58 Å²	58	42.5 Å²	42.5	23%	0.227	24%	0.237	C	C	.	.			trans	-126.1	40	-168	-91.3	-102.3	0	0	0	111.1	Q389 A487 H587 I588 Y598	Q389-Y489 HydrophobicContact CB-CD1 4.09Å; Q389-Y489 HydrophobicContact CB-CD2 4.23Å; Q389-Y489 HydrophobicContact CB-CE1 4.09Å; Q389-Y489 HydrophobicContact CB-CE2 4.22Å; Q389-Y489 HydrophobicContact CB-CG 4.15Å; Q389-Y489 HydrophobicContact CG-CD1 3.83Å; Q389-Y489 HydrophobicContact CG-CE1 3.52Å; Q389-Y489 HydrophobicContact CG-CE2 4.42Å; Q389-Y489 HydrophobicContact CG-CG 4.39Å; A487-Y489 HydrophobicContact CB-CD2 4Å; A487-Y489 HydrophobicContact CB-CE2 3.77Å; Y489-H587 WeakPolarHBondContact CB-CE1 3.19Å; Y489-H587 AromaticContact CD1-CE1 3.51Å; Y489-H587 AromaticContact CD1-ND1 3.9Å; Y489-H587 AromaticContact CD2-CE1 3.86Å; Y489-H587 AromaticContact CD2-ND1 3.42Å; Y489-H587 WeakPolarHBondContact CD2-ND1 3.44Å; Y489-H587 AromaticContact CG-CE1 3.27Å; Y489-H587 AromaticContact CG-ND1 3.36Å; Y489-I588 PolarHBondContact N-O 2.81Å; Y489-Y598 AromaticContact CE2-CE2 3.79Å; Y489-Y598 HydrophobicContact CE2-CE2 3.79Å; Y489-Y598 WeakPolarHBondContact OH-CE2 3.3Å
490	H	98.1	Very high	94.3	Very high	29 Å²	29	39.5 Å²	39.5	13%	0.134	22%	0.223	C	C	.	.			trans	-158.3	146	-180	-174.8	79.7	0	0	0	109.8	F488 A503 Y511 D532 L535 L590	F488-H490 WeakPolarHBondContact CD1-O 3.27Å; F488-H490 WeakPolarHBondContact CE1-O 3.37Å; H490-A503 WeakPolarHBondContact O-CB 3.27Å; H490-Y511 AromaticContact CD2-CE1 3.91Å; H490-Y511 AromaticContact CD2-CZ 3.63Å; H490-Y511 PolarHBondContact CD2-OH 3.09Å; H490-Y511 VanDerWaalsContact CD2-OH 3.26Å; H490-Y511 AromaticContact NE2-CZ 3.99Å; H490-Y511 PolarHBondContact NE2-OH 3.15Å; H490-D532 IonicContact CD2-OD1 3.55Å; H490-D532 IonicContact CE1-OD1 3.43Å; H490-D532 IonicContact NE2-OD1 3.17Å; H490-D532 PolarHBondContact NE2-OD1 2.94Å; H490-L535 HydrophobicContact CB-CD2 3.7Å; H490-L535 WeakPolarHBondContact CD2-CD2 3.29Å; H490-L590 WeakPolarHBondContact ND1-CG 3.42Å
491	H	96.4	Very high	94.5	Very high	36 Å²	36	37.8 Å²	37.8	17%	0.167	20%	0.204	C	C	.	.			trans	-148.2	168.5	172.1	70	-88	0	0	0	109.8	A501 A503 D507	H491-A501 PolarHBondContact CE1-O 3.13Å; H491-A501 VanDerWaalsContact CE1-O 3.28Å; H491-A503 HydrophobicContact CB-CB 4.01Å; H491-D507 HydrophobicContact CB-CB 4.04Å; H491-D507 WeakPolarHBondContact CB-OD2 3.15Å; H491-D507 IonicContact CG-OD2 3.43Å
492	C	92.4	Very high	94.7	Very high	21 Å²	21	40.9 Å²	40.9	14%	0.142	22%	0.221	C	C	.	.			trans	-100.3	112.4	169.7	-172	0	0	0	0	108	T494 Y511 C526 F528	C492-T494 PolarHBondContact O-N 3.19Å; C492-Y511 WeakPolarHBondContact CB-OH 3.29Å; C492-Y511 PolarHBondContact N-OH 3.42Å; C492-Y511 VanDerWaalsContact N-OH 3.08Å; C492-C526 VanDerWaalsContact CA-SG 3.59Å; C492-C526 HydrophobicContact CB-CB 3.82Å; C492-C526 WeakPolarHBondContact CB-SG 3.21Å; C492-C526 PolarHBondContact O-SG 2.86Å; C492-C526 WeakPolarHBondContact SG-CB 3.34Å; C492-C526 CovalentContact SG-SG 2.03Å; C492-C526 PolarHBondContact SG-SG 3.36Å; C492-F528 HydrophobicContact CB-CD1 3.74Å; C492-F528 HydrophobicContact CB-CE1 3.63Å; C492-F528 WeakPolarHBondContact SG-CD1 3.35Å
493	Q	81.8	Confident	94.7	Very high	109 Å²	109	39.9 Å²	39.9	51%	0.509	21%	0.214	S	C	.	.			trans	-71.5	126.9	-175.4	-167	-168.6	-19.3	0	0	111	C526	Q493-C526 PolarHBondContact O-SG 3.03Å
494	T	88.3	Confident	94.6	Very high	35 Å²	35	39.9 Å²	39.9	22%	0.215	21%	0.214	C	C	.	.			trans	-106.2	160	173.9	65.9	0	0	0	0	111.1	C492 Q496 V497 C526	C492-T494 PolarHBondContact O-N 3.19Å; T494-Q496 PolarHBondContact O-N 2.96Å; T494-Q496 VanDerWaalsContact O-N 3.07Å; T494-V497 PolarHBondContact O-N 3.32Å; T494-V497 WeakPolarHBondContact OG1-CG2 3.46Å; T494-C526 HydrophobicContact CG2-CB 3.67Å
495	D	86.3	Confident	94.6	Very high	159 Å²	159	39.5 Å²	39.5	85%	0.85	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-11	177.2	-55.8	-33.2	0	0	0	113.5
496	Q	88.4	Confident	94.5	Very high	130 Å²	130	39.4 Å²	39.4	61%	0.607	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-1.5	176.7	-57.5	-58.5	-46.7	0	0	113.4	N137 T494	N137-Q496 HydrophobicContact CB-CB 3.96Å; N137-Q496 PolarHBondContact ND2-O 2.96Å; T494-Q496 PolarHBondContact O-N 2.96Å; T494-Q496 VanDerWaalsContact O-N 3.07Å
497	V	91.3	Very high	94.5	Very high	16 Å²	16	40.4 Å²	40.4	10%	0.097	22%	0.218	C	C	.	.	S	Bend	trans	-116.3	129.7	-178.2	173.6	0	0	0	0	109.6	V133 L393 T494 A499 A501	V133-V497 HydrophobicContact CG1-CG2 3.8Å; L393-V497 HydrophobicContact CD2-CG1 4.14Å; T494-V497 PolarHBondContact O-N 3.32Å; T494-V497 WeakPolarHBondContact OG1-CG2 3.46Å; V497-A499 PolarHBondContact O-N 3.3Å; V497-A501 HydrophobicContact CG1-CB 3.72Å
498	P	93.5	Very high	94.5	Very high	35 Å²	35	40.4 Å²	40.4	23%	0.227	22%	0.218	C	C	.	.			trans	-55.9	136.4	-179.8	-26.2	34.3	0	0	0	112.8	E397 W500 A501	E397-P498 HydrophobicContact CG-CG 4.47Å; E397-P498 VanDerWaalsContact OE1-CD 3.3Å; E397-P498 WeakPolarHBondContact OE1-CD 2.98Å; P498-W500 HydrophobicContact CB-CD2 3.97Å; P498-W500 VanDerWaalsContact CB-CE2 3.43Å; P498-W500 HydrophobicContact CB-CG 4.22Å; P498-W500 HydrophobicContact CB-CZ2 3.77Å; P498-W500 HydrophobicContact CG-CZ2 3.94Å; P498-W500 PolarHBondContact O-N 3.33Å; P498-A501 VanDerWaalsContact O-CB 3.26Å; P498-A501 WeakPolarHBondContact O-CB 3.34Å; P498-A501 PolarHBondContact O-N 3.37Å
499	A	93.7	Very high	94.5	Very high	84 Å²	84	40.5 Å²	40.5	69%	0.694	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.1	-172.3	0	0	0	0	0	115.4	V497	V497-A499 PolarHBondContact O-N 3.3Å
500	W	94.8	Very high	94.5	Very high	34 Å²	34	38.2 Å²	38.2	13%	0.129	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.4	175.5	59.1	-108.4	0	0	0	114.2	L393 V396 V400 D404 R453 L457 P498	L393-W500 HydrophobicContact CD1-CH2 3.48Å; L393-W500 VanDerWaalsContact CD1-CH2 3.48Å; L393-W500 HydrophobicContact CD1-CZ3 3.5Å; L393-W500 VanDerWaalsContact CD1-CZ3 3.5Å; V396-W500 HydrophobicContact CG2-CH2 4.12Å; V400-W500 HydrophobicContact CB-CZ2 4.33Å; V400-W500 HydrophobicContact CG1-CZ2 4.13Å; V400-W500 HydrophobicContact CG2-CH2 4.2Å; V400-W500 HydrophobicContact CG2-CZ2 3.81Å; D404-W500 HydrophobicContact CB-CG 4.45Å; D404-W500 PolarHBondContact OD1-NE1 3.06Å; D404-W500 VanDerWaalsContact OD1-NE1 3.07Å; R453-W500 VanDerWaalsContact NE-CD2 3.32Å; R453-W500 VanDerWaalsContact NH2-CB 3.35Å; R453-W500 VanDerWaalsContact NH2-CE3 3.31Å; R453-W500 PolarHBondContact NH2-O 3Å; L457-W500 HydrophobicContact CD1-CZ3 3.99Å; P498-W500 HydrophobicContact CB-CD2 3.97Å; P498-W500 VanDerWaalsContact CB-CE2 3.43Å; P498-W500 HydrophobicContact CB-CG 4.22Å; P498-W500 HydrophobicContact CB-CZ2 3.77Å; P498-W500 HydrophobicContact CG-CZ2 3.94Å; P498-W500 PolarHBondContact O-N 3.33Å
501	A	96.5	Very high	94.5	Very high	9 Å²	9	36.9 Å²	36.9	7%	0.074	21%	0.205	C	C	.	.			trans	-69.2	145	-177.9	0	0	0	0	0	111.6	L393 H491 V497 P498	L393-A501 HydrophobicContact CD1-CB 3.99Å; L393-A501 HydrophobicContact CD2-CB 4.27Å; H491-A501 PolarHBondContact CE1-O 3.13Å; H491-A501 VanDerWaalsContact CE1-O 3.28Å; V497-A501 HydrophobicContact CG1-CB 3.72Å; P498-A501 VanDerWaalsContact O-CB 3.26Å; P498-A501 WeakPolarHBondContact O-CB 3.34Å; P498-A501 PolarHBondContact O-N 3.37Å
502	D	96.9	Very high	94.6	Very high	67 Å²	67	35.3 Å²	35.3	36%	0.358	20%	0.197	S	C	.	.			trans	-89.6	179.7	163.1	-72.2	-47.3	0	0	0	109.5	Q389 A504	Q389-D502 HydrophobicContact CB-CB 4.15Å; Q389-D502 HydrophobicContact CG-CB 3.72Å; Q389-D502 PolarHBondContact NE2-OD1 3.36Å; Q389-D502 PolarHBondContact NE2-OD2 2.86Å; D502-A504 PolarHBondContact O-N 2.84Å; D502-A504 VanDerWaalsContact O-N 3.13Å
503	A	97.9	Very high	94.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.191	C	C	.	.	S	Bend	trans	-58.9	116.7	176.3	0	0	0	0	0	111.6	N388 Q389 G390 H490 H491	N388-A503 HydrophobicContact CB-CB 4.44Å; Q389-A503 HydrophobicContact CB-CB 4.49Å; Q389-A503 PolarHBondContact N-O 2.93Å; G390-A503 CarbonylContact C-O 3.55Å; G390-A503 WeakPolarHBondContact CA-O 3.18Å; G390-A503 PolarHBondContact N-O 2.77Å; H490-A503 WeakPolarHBondContact O-CB 3.27Å; H491-A503 HydrophobicContact CB-CB 4.01Å
504	A	97.9	Very high	95.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.			trans	-99.6	-173.2	-170.8	0	0	0	0	0	112.2	V133 N388 L393 D502 G506 D507	V133-A504 HydrophobicContact CG2-CB 3.68Å; N388-A504 PolarHBondContact ND2-O 3.09Å; L393-A504 HydrophobicContact CB-CB 3.83Å; L393-A504 HydrophobicContact CD2-CB 3.86Å; L393-A504 HydrophobicContact CG-CB 4.5Å; D502-A504 PolarHBondContact O-N 2.84Å; D502-A504 VanDerWaalsContact O-N 3.13Å; A504-G506 PolarHBondContact O-N 3.49Å; A504-D507 PolarHBondContact N-OD2 3.29Å; A504-D507 WeakPolarHBondContact O-CB 3.4Å; A504-D507 PolarHBondContact O-N 2.95Å
505	H	98.4	Very high	96.2	Very high	5 Å²	5	28 Å²	28	2%	0.023	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	123.5	-173.7	-167.2	50.6	0	0	0	112.6	P132 V133 S296 E391 W465	P132-H505 VanDerWaalsContact CA-O 3.29Å; P132-H505 WeakPolarHBondContact CA-O 3.45Å; V133-H505 PolarHBondContact N-O 2.87Å; S296-H505 PolarHBondContact O-CE1 2.94Å; E391-H505 WeakPolarHBondContact OE2-CA 3.46Å; E391-H505 IonicContact OE2-CE1 2.68Å; E391-H505 IonicContact OE2-CG 3.86Å; E391-H505 IonicContact OE2-ND1 2.69Å; E391-H505 PolarHBondContact OE2-ND1 3.12Å; W465-H505 AromaticContact CE2-ND1 3.95Å; W465-H505 HydrophobicContact CZ2-CB 4.41Å; W465-H505 AromaticContact NE1-CE1 3.59Å; W465-H505 AromaticContact NE1-ND1 3.57Å
506	G	97.2	Very high	96.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	5.9	179.9	0	0	0	0	0	116.1	W134 A504 E508 V509	W134-G506 PolarHBondContact NE1-O 3.07Å; W134-G506 VanDerWaalsContact NE1-O 3.08Å; A504-G506 PolarHBondContact O-N 3.49Å; G506-E508 WeakPolarHBondContact CA-OE2 3.43Å; G506-E508 PolarHBondContact O-N 3.36Å; G506-V509 WeakPolarHBondContact O-CB 3.3Å; G506-V509 WeakPolarHBondContact O-CG2 3.49Å; G506-V509 PolarHBondContact O-N 2.86Å
507	D	98.3	Very high	97.1	Very high	20 Å²	20	15 Å²	15	11%	0.107	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.7	178.3	-82.1	-10.7	0	0	0	114.1	H491 A504 P510 Y511	H491-D507 HydrophobicContact CB-CB 4.04Å; H491-D507 WeakPolarHBondContact CB-OD2 3.15Å; H491-D507 IonicContact CG-OD2 3.43Å; A504-D507 PolarHBondContact N-OD2 3.29Å; A504-D507 WeakPolarHBondContact O-CB 3.4Å; A504-D507 PolarHBondContact O-N 2.95Å; D507-P510 WeakPolarHBondContact O-CD 3.38Å; D507-Y511 VanDerWaalsContact O-CD2 3.26Å; D507-Y511 WeakPolarHBondContact O-CD2 3.17Å; D507-Y511 WeakPolarHBondContact O-CE2 3.35Å
508	E	98.6	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-24.7	174.9	85.5	-55.9	153.4	0	0	112.6	S260 Q295 N388 F488 G506 Y511 V512	S260-E508 PolarHBondContact OG-OE1 2.89Å; Q295-E508 WeakPolarHBondContact CB-OE1 3.45Å; Q295-E508 PolarHBondContact NE2-OE1 2.84Å; N388-E508 PolarHBondContact ND2-OE2 3.42Å; F488-E508 HydrophobicContact CD1-CB 3.79Å; F488-E508 HydrophobicContact CD2-CB 3.96Å; F488-E508 HydrophobicContact CE1-CB 3.79Å; F488-E508 HydrophobicContact CE2-CB 3.96Å; F488-E508 HydrophobicContact CG-CB 3.89Å; F488-E508 HydrophobicContact CZ-CB 3.89Å; G506-E508 WeakPolarHBondContact CA-OE2 3.43Å; G506-E508 PolarHBondContact O-N 3.36Å; E508-Y511 WeakPolarHBondContact O-CB 3.38Å; E508-Y511 PolarHBondContact O-N 2.91Å; E508-V512 HydrophobicContact CG-CG2 4.49Å; E508-V512 WeakPolarHBondContact O-CG2 3.38Å; E508-V512 PolarHBondContact O-N 2.76Å
509	V	98.6	Very high	97.4	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.018	10%	0.097	C	C	.	.	H	α-helix	trans	-53.2	-45.7	-178.1	177.3	0	0	0	0	113.5	W134 Y192 G506 Y511 V512 L513 F524	W134-V509 HydrophobicContact CZ2-CG1 4.44Å; Y192-V509 HydrophobicContact CD1-CG1 3.99Å; Y192-V509 HydrophobicContact CE1-CG1 3.98Å; G506-V509 WeakPolarHBondContact O-CB 3.3Å; G506-V509 WeakPolarHBondContact O-CG2 3.49Å; G506-V509 PolarHBondContact O-N 2.86Å; V509-Y511 PolarHBondContact O-N 3.32Å; V509-V512 PolarHBondContact O-N 3.4Å; V509-L513 HydrophobicContact CG1-CD1 4.02Å; V509-L513 HydrophobicContact CG1-CG 4.29Å; V509-L513 PolarHBondContact O-N 3.29Å; V509-F524 HydrophobicContact CG1-CZ 4.35Å
510	P	98.4	Very high	97.5	Very high	10 Å²	10	14.7 Å²	14.7	7%	0.065	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-32.6	178.6	-20.8	32.8	0	0	0	113	D507 G514 I515 P516 F524 F528	D507-P510 WeakPolarHBondContact O-CD 3.38Å; P510-G514 PolarHBondContact O-N 3.2Å; P510-I515 HydrophobicContact CB-CB 4.25Å; P510-I515 HydrophobicContact CB-CG1 4.23Å; P510-I515 PolarHBondContact O-N 3.44Å; P510-P516 VanDerWaalsContact O-CD 3.25Å; P510-P516 WeakPolarHBondContact O-CD 3.46Å; P510-F524 HydrophobicContact CB-CD1 4.41Å; P510-F524 HydrophobicContact CG-CD1 3.73Å; P510-F524 HydrophobicContact CG-CE1 3.77Å; P510-F524 HydrophobicContact CG-CG 4.42Å; P510-F528 HydrophobicContact CB-CE1 4.24Å; P510-F528 HydrophobicContact CB-CZ 4.04Å
511	Y	98.8	Very high	97.5	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-77	-37.5	179.7	-60.8	-90.4	0	0	0	111.8	F488 H490 C492 D507 E508 V509 P516 D532 L535 S536	F488-Y511 AromaticContact CE1-CD2 3.89Å; F488-Y511 HydrophobicContact CE1-CD2 3.89Å; F488-Y511 HydrophobicContact CE1-CE2 4.18Å; F488-Y511 AromaticContact CZ-CD2 3.69Å; F488-Y511 HydrophobicContact CZ-CD2 3.69Å; F488-Y511 HydrophobicContact CZ-CE2 4.32Å; F488-Y511 AromaticContact CZ-CG 3.87Å; F488-Y511 HydrophobicContact CZ-CG 3.87Å; H490-Y511 AromaticContact CD2-CE1 3.91Å; H490-Y511 AromaticContact CD2-CZ 3.63Å; H490-Y511 PolarHBondContact CD2-OH 3.09Å; H490-Y511 VanDerWaalsContact CD2-OH 3.26Å; H490-Y511 AromaticContact NE2-CZ 3.99Å; H490-Y511 PolarHBondContact NE2-OH 3.15Å; C492-Y511 WeakPolarHBondContact CB-OH 3.29Å; C492-Y511 PolarHBondContact N-OH 3.42Å; C492-Y511 VanDerWaalsContact N-OH 3.08Å; D507-Y511 VanDerWaalsContact O-CD2 3.26Å; D507-Y511 WeakPolarHBondContact O-CD2 3.17Å; D507-Y511 WeakPolarHBondContact O-CE2 3.35Å; E508-Y511 WeakPolarHBondContact O-CB 3.38Å; E508-Y511 PolarHBondContact O-N 2.91Å; V509-Y511 PolarHBondContact O-N 3.32Å; Y511-P516 HydrophobicContact CD1-CG 4.34Å; Y511-P516 HydrophobicContact CE1-CG 4.43Å; Y511-D532 HydrophobicContact CE1-CB 3.8Å; Y511-D532 PolarHBondContact OH-OD1 3.35Å; Y511-L535 HydrophobicContact CD1-CB 4.2Å; Y511-L535 HydrophobicContact CD1-CD2 4.11Å; Y511-L535 HydrophobicContact CD1-CG 4.23Å; Y511-L535 HydrophobicContact CE1-CB 4.37Å; Y511-L535 HydrophobicContact CE1-CD2 4.05Å; Y511-S536 PolarHBondContact O-OG 3Å
512	V	98.8	Very high	97.4	Very high	2 Å²	2	22 Å²	22	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-67.4	-38.3	174.4	174.7	0	0	0	0	111.9	F258 E508 V509 V539 M540 W543	F258-V512 HydrophobicContact CD2-CG1 4.33Å; F258-V512 HydrophobicContact CE2-CG1 3.87Å; E508-V512 HydrophobicContact CG-CG2 4.49Å; E508-V512 WeakPolarHBondContact O-CG2 3.38Å; E508-V512 PolarHBondContact O-N 2.76Å; V509-V512 PolarHBondContact O-N 3.4Å; V512-V539 HydrophobicContact CB-CG1 4.29Å; V512-V539 HydrophobicContact CG2-CG1 3.56Å; V512-M540 WeakPolarHBondContact O-CG 3.41Å; V512-W543 HydrophobicContact CG1-CG 4.41Å; V512-W543 HydrophobicContact CG2-CD2 4.4Å; V512-W543 HydrophobicContact CG2-CZ2 3.89Å
513	L	98.6	Very high	97.3	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-81.6	-13.7	178.6	-70.3	-175.1	0	0	0	114.6	Y192 V196 V509 I515	Y192-L513 HydrophobicContact CD1-CD1 4.01Å; Y192-L513 HydrophobicContact CG-CD1 4.46Å; V196-L513 WeakPolarHBondContact CB-O 3.47Å; V509-L513 HydrophobicContact CG1-CD1 4.02Å; V509-L513 HydrophobicContact CG1-CG 4.29Å; V509-L513 PolarHBondContact O-N 3.29Å; L513-I515 HydrophobicContact CB-CD1 4.01Å; L513-I515 HydrophobicContact CB-CG1 4.07Å
514	G	98.3	Very high	97.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	9.5	-179.9	0	0	0	0	0	115.8	P510 P516 M517 S536 M540	P510-G514 PolarHBondContact O-N 3.2Å; G514-P516 VanDerWaalsContact C-CD 3.43Å; G514-P516 VanDerWaalsContact C-N 3.33Å; G514-M517 WeakPolarHBondContact O-CB 3.45Å; G514-M517 PolarHBondContact O-N 3.17Å; G514-S536 VanDerWaalsContact CA-OG 3.31Å; G514-S536 WeakPolarHBondContact CA-OG 3.47Å; G514-M540 VanDerWaalsContact CA-SD 3.52Å
515	I	98.2	Very high	97	Very high	8 Å²	8	23 Å²	23	4%	0.041	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-52	-41.4	-173.9	-49.3	-58.9	0	0	0	113.4	P510 L513 M517 I518 G519 T521 F524 F528	P510-I515 HydrophobicContact CB-CB 4.25Å; P510-I515 HydrophobicContact CB-CG1 4.23Å; P510-I515 PolarHBondContact O-N 3.44Å; L513-I515 HydrophobicContact CB-CD1 4.01Å; L513-I515 HydrophobicContact CB-CG1 4.07Å; I515-M517 PolarHBondContact O-N 3.46Å; I515-I518 WeakPolarHBondContact O-CG1 3.27Å; I515-I518 PolarHBondContact O-N 3.38Å; I515-G519 PolarHBondContact O-N 2.66Å; I515-T521 HydrophobicContact CG2-CG2 3.95Å; I515-F524 HydrophobicContact CD1-CD2 4.23Å; I515-F524 HydrophobicContact CD1-CE2 4.38Å; I515-F524 HydrophobicContact CG1-CD2 3.91Å; I515-F524 HydrophobicContact CG1-CE2 4.18Å; I515-F524 HydrophobicContact CG2-CB 4.08Å; I515-F524 HydrophobicContact CG2-CD2 4.22Å; I515-F524 HydrophobicContact CG2-CG 4.47Å; I515-F528 HydrophobicContact CB-CE2 4.43Å; I515-F528 HydrophobicContact CB-CZ 4.49Å; I515-F528 HydrophobicContact CG2-CE2 3.77Å; I515-F528 HydrophobicContact CG2-CZ 4.2Å
516	P	98	Very high	96.8	Very high	7 Å²	7	23.1 Å²	23.1	5%	0.045	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-53.3	-24.9	174.8	-29.6	37.1	0	0	0	115.3	P510 Y511 G514 F528 D532 V533	P510-P516 VanDerWaalsContact O-CD 3.25Å; P510-P516 WeakPolarHBondContact O-CD 3.46Å; Y511-P516 HydrophobicContact CD1-CG 4.34Å; Y511-P516 HydrophobicContact CE1-CG 4.43Å; G514-P516 VanDerWaalsContact C-CD 3.43Å; G514-P516 VanDerWaalsContact C-N 3.33Å; P516-F528 HydrophobicContact CB-CB 4.06Å; P516-F528 HydrophobicContact CB-CD1 4.19Å; P516-F528 HydrophobicContact CB-CG 4.04Å; P516-F528 HydrophobicContact CG-CB 4.47Å; P516-F528 HydrophobicContact CG-CD1 3.66Å; P516-F528 HydrophobicContact CG-CE1 3.94Å; P516-F528 HydrophobicContact CG-CG 3.97Å; P516-F528 HydrophobicContact CG-CZ 4.48Å; P516-D532 HydrophobicContact CB-CB 4.22Å; P516-D532 HydrophobicContact CG-CB 4.24Å; P516-V533 HydrophobicContact CB-CG2 4.19Å; P516-V533 WeakPolarHBondContact O-CG2 3.49Å
517	M	96.9	Very high	96.6	Very high	9 Å²	9	29.4 Å²	29.4	4%	0.044	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-75.5	-21.8	179.7	-59.2	-166.2	174.1	0	0	114.2	N71 L74 V196 Y200 G514 I515 V533 A537 M540 I563	N71-M517 PolarHBondContact ND2-O 3.01Å; L74-M517 HydrophobicContact CD1-CB 4.31Å; L74-M517 HydrophobicContact CD1-SD 4.35Å; V196-M517 HydrophobicContact CG1-CB 4.21Å; V196-M517 HydrophobicContact CG1-CG 4.45Å; V196-M517 HydrophobicContact CG1-SD 4.09Å; Y200-M517 HydrophobicContact CD2-CE 3.72Å; Y200-M517 HydrophobicContact CD2-SD 3.84Å; Y200-M517 HydrophobicContact CE2-CE 3.68Å; Y200-M517 HydrophobicContact CE2-SD 4.37Å; Y200-M517 HydrophobicContact CG-CE 4.48Å; G514-M517 WeakPolarHBondContact O-CB 3.45Å; G514-M517 PolarHBondContact O-N 3.17Å; I515-M517 PolarHBondContact O-N 3.46Å; M517-V533 HydrophobicContact CG-CG1 4.19Å; M517-A537 HydrophobicContact CE-CB 3.5Å; M517-A537 VanDerWaalsContact CE-CB 3.5Å; M517-M540 HydrophobicContact CE-CE 3.32Å; M517-M540 HydrophobicContact CG-CE 4.43Å; M517-M540 HydrophobicContact SD-CE 3.55Å; M517-M540 VanDerWaalsContact SD-CE 3.55Å; M517-I563 HydrophobicContact CE-CG1 3.89Å; M517-I563 HydrophobicContact SD-CD1 3.83Å; M517-I563 HydrophobicContact SD-CG1 3.8Å
518	I	96.2	Very high	96.6	Very high	35 Å²	35	29.8 Å²	29.8	18%	0.179	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-8.3	178.4	55.5	169.6	0	0	0	113	N70 V196 I515 T521	N70-I518 HydrophobicContact CB-CB 4.16Å; N70-I518 HydrophobicContact CB-CG2 4.2Å; N70-I518 PolarHBondContact ND2-O 3Å; V196-I518 HydrophobicContact CG2-CD1 4.3Å; V196-I518 HydrophobicContact CG2-CG1 4.42Å; V196-I518 HydrophobicContact CG2-CG2 3.65Å; I515-I518 WeakPolarHBondContact O-CG1 3.27Å; I515-I518 PolarHBondContact O-N 3.38Å; I518-T521 HydrophobicContact CD1-CG2 4.07Å
519	G	94.4	Very high	96.5	Very high	21 Å²	21	32 Å²	32	22%	0.216	18%	0.184	C	C	.	.			trans	96.4	-174.5	-179.4	0	0	0	0	0	113.4	I515	I515-G519 PolarHBondContact O-N 2.66Å
520	P	94.9	Very high	96.4	Very high	73 Å²	73	38.1 Å²	38.1	47%	0.474	21%	0.21	S	C	.	.			trans	-59.7	140.9	173.3	-15.8	28.3	0	0	0	110.7	C526	P520-C526 WeakPolarHBondContact CB-O 3.47Å; P520-C526 WeakPolarHBondContact CG-O 3.5Å
521	T	95.8	Very high	96.3	Very high	44 Å²	44	39.5 Å²	39.5	27%	0.27	22%	0.217	S	C	.	.			trans	-118.6	170	174.4	68.7	0	0	0	0	110.2	I515 I518 L523 F524 P525	I515-T521 HydrophobicContact CG2-CG2 3.95Å; I518-T521 HydrophobicContact CD1-CG2 4.07Å; T521-L523 VanDerWaalsContact C-N 3.27Å; T521-L523 PolarHBondContact O-N 3.14Å; T521-F524 PolarHBondContact N-O 2.71Å; T521-F524 CarbonylContact O-C 3.25Å; T521-F524 PolarHBondContact O-N 2.9Å; T521-F524 PolarHBondContact OG1-N 2.87Å; T521-P525 VanDerWaalsContact O-CA 3.26Å; T521-P525 WeakPolarHBondContact O-CA 3.36Å; T521-P525 VanDerWaalsContact O-N 3.11Å
522	E	94.3	Very high	96.3	Very high	151 Å²	151	39.9 Å²	39.9	71%	0.706	22%	0.219	S	C	*	.	S	Bend	trans	-59.6	-39.9	176.5	-62.8	-178.8	160.6	0	0	111.4	N138 V141	N138-E522 PolarHBondContact ND2-O 2.83Å; V141-E522 HydrophobicContact CG1-CB 3.92Å; V141-E522 HydrophobicContact CG2-CB 4.38Å
523	L	94.9	Very high	96.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.223	C	C	.	.	S	Bend	trans	-74.8	-37	177.9	-175.6	62.7	0	0	0	112.5	W134 N138 V141 V142 L191 T521 P525	W134-L523 HydrophobicContact CE3-CD1 4.13Å; W134-L523 HydrophobicContact CE3-CG 4.32Å; W134-L523 HydrophobicContact CZ3-CD1 4.08Å; W134-L523 HydrophobicContact CZ3-CD2 4.19Å; W134-L523 HydrophobicContact CZ3-CG 4.33Å; N138-L523 PolarHBondContact ND2-O 3Å; V141-L523 HydrophobicContact CG1-CB 4.34Å; V141-L523 HydrophobicContact CG1-CD1 4.47Å; V142-L523 HydrophobicContact CG2-CD1 3.75Å; L191-L523 HydrophobicContact CB-CD2 4.14Å; L191-L523 HydrophobicContact CD2-CD1 3.87Å; L191-L523 HydrophobicContact CD2-CD2 3.69Å; L191-L523 HydrophobicContact CD2-CG 4.45Å; L191-L523 VanDerWaalsContact O-CD2 3.26Å; L191-L523 WeakPolarHBondContact O-CD2 3.29Å; T521-L523 VanDerWaalsContact C-N 3.27Å; T521-L523 PolarHBondContact O-N 3.14Å; L523-P525 VanDerWaalsContact C-CD 3.46Å; L523-P525 VanDerWaalsContact O-CD 3.31Å; L523-P525 WeakPolarHBondContact O-CD 3.41Å
524	F	96.1	Very high	96.3	Very high	11 Å²	11	40.3 Å²	40.3	5%	0.048	22%	0.222	C	C	.	.	S	Bend	trans	-120	75.5	179.6	-59.5	-72	0	0	0	110.4	W134 V509 P510 I515 T521 C526 F528	W134-F524 HydrophobicContact CB-CD1 4.18Å; W134-F524 HydrophobicContact CB-CE1 4.07Å; W134-F524 AromaticContact CD1-CE1 3.9Å; W134-F524 HydrophobicContact CD2-CD1 4.39Å; W134-F524 AromaticContact CD2-CE1 3.46Å; W134-F524 HydrophobicContact CD2-CE1 3.46Å; W134-F524 VanDerWaalsContact CD2-CE1 3.46Å; W134-F524 HydrophobicContact CD2-CZ 4.05Å; W134-F524 AromaticContact CE2-CE1 3.84Å; W134-F524 AromaticContact CE3-CE1 3.83Å; W134-F524 HydrophobicContact CE3-CE1 3.83Å; W134-F524 HydrophobicContact CE3-CZ 4.13Å; W134-F524 HydrophobicContact CG-CD1 4.17Å; W134-F524 AromaticContact CG-CE1 3.56Å; W134-F524 HydrophobicContact CG-CE1 3.56Å; W134-F524 HydrophobicContact CZ2-CZ 4.43Å; W134-F524 HydrophobicContact CZ3-CZ 4.38Å; V509-F524 HydrophobicContact CG1-CZ 4.35Å; P510-F524 HydrophobicContact CB-CD1 4.41Å; P510-F524 HydrophobicContact CG-CD1 3.73Å; P510-F524 HydrophobicContact CG-CE1 3.77Å; P510-F524 HydrophobicContact CG-CG 4.42Å; I515-F524 HydrophobicContact CD1-CD2 4.23Å; I515-F524 HydrophobicContact CD1-CE2 4.38Å; I515-F524 HydrophobicContact CG1-CD2 3.91Å; I515-F524 HydrophobicContact CG1-CE2 4.18Å; I515-F524 HydrophobicContact CG2-CB 4.08Å; I515-F524 HydrophobicContact CG2-CD2 4.22Å; I515-F524 HydrophobicContact CG2-CG 4.47Å; T521-F524 PolarHBondContact N-O 2.71Å; T521-F524 CarbonylContact O-C 3.25Å; T521-F524 PolarHBondContact O-N 2.9Å; T521-F524 PolarHBondContact OG1-N 2.87Å; F524-C526 PolarHBondContact O-N 3.1Å; F524-F528 HydrophobicContact CB-CE2 4.45Å; F524-F528 HydrophobicContact CB-CZ 4.32Å
525	P	93.7	Very high	96.3	Very high	75 Å²	75	40.3 Å²	40.3	49%	0.487	22%	0.222	S	C	.	.			trans	-75	12.7	-172.4	31.5	-38	0	0	0	114.2	T521 L523	T521-P525 VanDerWaalsContact O-CA 3.26Å; T521-P525 WeakPolarHBondContact O-CA 3.36Å; T521-P525 VanDerWaalsContact O-N 3.11Å; L523-P525 VanDerWaalsContact C-CD 3.46Å; L523-P525 VanDerWaalsContact O-CD 3.31Å; L523-P525 WeakPolarHBondContact O-CD 3.41Å
526	C	93.1	Very high	96.3	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.054	22%	0.22	C	C	.	.			trans	-71	139.2	-175.7	-164.4	0	0	0	0	112.7	C492 Q493 T494 P520 F524 F528	C492-C526 VanDerWaalsContact CA-SG 3.59Å; C492-C526 HydrophobicContact CB-CB 3.82Å; C492-C526 WeakPolarHBondContact CB-SG 3.21Å; C492-C526 PolarHBondContact O-SG 2.86Å; C492-C526 WeakPolarHBondContact SG-CB 3.34Å; C492-C526 CovalentContact SG-SG 2.03Å; C492-C526 PolarHBondContact SG-SG 3.36Å; Q493-C526 PolarHBondContact O-SG 3.03Å; T494-C526 HydrophobicContact CG2-CB 3.67Å; P520-C526 WeakPolarHBondContact CB-O 3.47Å; P520-C526 WeakPolarHBondContact CG-O 3.5Å; F524-C526 PolarHBondContact O-N 3.1Å; C526-F528 HydrophobicContact CB-CD1 4.49Å; C526-F528 HydrophobicContact CB-CE1 4.11Å; C526-F528 HydrophobicContact CB-CE2 4.34Å; C526-F528 HydrophobicContact CB-CZ 4.03Å; C526-F528 WeakPolarHBondContact O-CD2 3.14Å; C526-F528 PolarHBondContact O-N 3.48Å
527	N	94.6	Very high	96.3	Very high	132 Å²	132	39.6 Å²	39.6	71%	0.706	22%	0.218	S	C	*	.			trans	-76.7	69.4	178.6	-73.6	-64.6	0	0	0	112	S529	N527-S529 PolarHBondContact O-N 3.33Å
528	F	96.7	Very high	96.4	Very high	29 Å²	29	39.1 Å²	39.1	13%	0.127	22%	0.215	C	C	.	.			trans	-52.7	124.8	-176.8	-62.6	-67.9	0	0	0	113	C492 P510 I515 P516 F524 C526 D532	C492-F528 HydrophobicContact CB-CD1 3.74Å; C492-F528 HydrophobicContact CB-CE1 3.63Å; C492-F528 WeakPolarHBondContact SG-CD1 3.35Å; P510-F528 HydrophobicContact CB-CE1 4.24Å; P510-F528 HydrophobicContact CB-CZ 4.04Å; I515-F528 HydrophobicContact CB-CE2 4.43Å; I515-F528 HydrophobicContact CB-CZ 4.49Å; I515-F528 HydrophobicContact CG2-CE2 3.77Å; I515-F528 HydrophobicContact CG2-CZ 4.2Å; P516-F528 HydrophobicContact CB-CB 4.06Å; P516-F528 HydrophobicContact CB-CD1 4.19Å; P516-F528 HydrophobicContact CB-CG 4.04Å; P516-F528 HydrophobicContact CG-CB 4.47Å; P516-F528 HydrophobicContact CG-CD1 3.66Å; P516-F528 HydrophobicContact CG-CE1 3.94Å; P516-F528 HydrophobicContact CG-CG 3.97Å; P516-F528 HydrophobicContact CG-CZ 4.48Å; F524-F528 HydrophobicContact CB-CE2 4.45Å; F524-F528 HydrophobicContact CB-CZ 4.32Å; C526-F528 HydrophobicContact CB-CD1 4.49Å; C526-F528 HydrophobicContact CB-CE1 4.11Å; C526-F528 HydrophobicContact CB-CE2 4.34Å; C526-F528 HydrophobicContact CB-CZ 4.03Å; C526-F528 WeakPolarHBondContact O-CD2 3.14Å; C526-F528 PolarHBondContact O-N 3.48Å; F528-D532 HydrophobicContact CB-CB 4.19Å; F528-D532 HydrophobicContact CD1-CB 4.11Å
529	S	96.8	Very high	96.5	Very high	47 Å²	47	37.5 Å²	37.5	33%	0.329	21%	0.207	S	C	.	.			trans	-86.4	169.2	178.2	86.6	0	0	0	0	111.9	N527 N531 D532 V533	N527-S529 PolarHBondContact O-N 3.33Å; S529-N531 PolarHBondContact O-N 3.05Å; S529-N531 VanDerWaalsContact O-N 3.08Å; S529-N531 PolarHBondContact OG-N 2.97Å; S529-N531 VanDerWaalsContact OG-N 3.1Å; S529-D532 WeakPolarHBondContact CA-OD2 3.35Å; S529-D532 WeakPolarHBondContact CB-OD2 3.3Å; S529-D532 PolarHBondContact N-OD2 3.38Å; S529-D532 WeakPolarHBondContact O-CA 3.16Å; S529-D532 WeakPolarHBondContact O-CB 3.35Å; S529-D532 PolarHBondContact O-N 2.68Å; S529-D532 PolarHBondContact OG-OD2 3.08Å; S529-V533 PolarHBondContact O-N 3.33Å
530	K	96.8	Very high	96.7	Very high	131 Å²	131	36.5 Å²	36.5	57%	0.57	20%	0.197	S	C	*	.	H	α-helix	trans	-61.7	-14.9	172.3	-63.2	-166.6	175.8	-170.3	0	114.6	T565 K566	K530-T565 WeakPolarHBondContact CB-OG1 3.4Å; K530-T565 PolarHBondContact O-OG1 3.3Å; K530-K566 HydrophobicContact CB-CG 3.79Å; K530-K566 WeakPolarHBondContact O-CG 3.31Å
531	N	97.5	Very high	96.9	Very high	39 Å²	39	33.2 Å²	33.2	21%	0.209	18%	0.175	C	C	.	.	H	α-helix	trans	-79.1	-31	169.8	-61.1	-67.9	0	0	0	111.5	S529 M534 L535 R569 L590	S529-N531 PolarHBondContact O-N 3.05Å; S529-N531 VanDerWaalsContact O-N 3.08Å; S529-N531 PolarHBondContact OG-N 2.97Å; S529-N531 VanDerWaalsContact OG-N 3.1Å; N531-M534 PolarHBondContact O-N 3.49Å; N531-L535 WeakPolarHBondContact O-CB 3.36Å; N531-L535 PolarHBondContact O-N 3.49Å; N531-R569 PolarHBondContact OD1-NH2 2.94Å; N531-L590 HydrophobicContact CB-CD1 4.21Å; N531-L590 HydrophobicContact CB-CD2 3.86Å
532	D	98.3	Very high	97.1	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.043	16%	0.163	C	C	.	.	H	α-helix	trans	-73.2	-38.8	-180	-56.1	-77.6	0	0	0	111.3	H490 Y511 P516 F528 S529 M534 L535 S536	H490-D532 IonicContact CD2-OD1 3.55Å; H490-D532 IonicContact CE1-OD1 3.43Å; H490-D532 IonicContact NE2-OD1 3.17Å; H490-D532 PolarHBondContact NE2-OD1 2.94Å; Y511-D532 HydrophobicContact CE1-CB 3.8Å; Y511-D532 PolarHBondContact OH-OD1 3.35Å; P516-D532 HydrophobicContact CB-CB 4.22Å; P516-D532 HydrophobicContact CG-CB 4.24Å; F528-D532 HydrophobicContact CB-CB 4.19Å; F528-D532 HydrophobicContact CD1-CB 4.11Å; S529-D532 WeakPolarHBondContact CA-OD2 3.35Å; S529-D532 WeakPolarHBondContact CB-OD2 3.3Å; S529-D532 PolarHBondContact N-OD2 3.38Å; S529-D532 WeakPolarHBondContact O-CA 3.16Å; S529-D532 WeakPolarHBondContact O-CB 3.35Å; S529-D532 PolarHBondContact O-N 2.68Å; S529-D532 PolarHBondContact OG-OD2 3.08Å; D532-M534 VanDerWaalsContact C-N 3.32Å; D532-M534 PolarHBondContact O-N 3.44Å; D532-L535 PolarHBondContact O-N 2.91Å; D532-S536 VanDerWaalsContact O-CB 3.26Å; D532-S536 WeakPolarHBondContact O-CB 3.45Å; D532-S536 PolarHBondContact O-N 3.45Å
533	V	98.2	Very high	97.3	Very high	15 Å²	15	24 Å²	24	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-58.5	-44.5	169.9	-168.7	0	0	0	0	111.3	P516 M517 S529 A537 I563 T565	P516-V533 HydrophobicContact CB-CG2 4.19Å; P516-V533 WeakPolarHBondContact O-CG2 3.49Å; M517-V533 HydrophobicContact CG-CG1 4.19Å; S529-V533 PolarHBondContact O-N 3.33Å; V533-A537 WeakPolarHBondContact O-CB 3.36Å; V533-A537 PolarHBondContact O-N 2.97Å; V533-I563 VanDerWaalsContact CG1-O 3.31Å; V533-I563 WeakPolarHBondContact CG1-O 3.42Å; V533-T565 HydrophobicContact CB-CG2 4.47Å; V533-T565 HydrophobicContact CG1-CG2 4Å
534	M	98	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-45.6	176.5	-179.1	-78.1	-51.9	0	0	112	N531 D532 A537 V538 H564 K566 P567 R569 L590	N531-M534 PolarHBondContact O-N 3.49Å; D532-M534 VanDerWaalsContact C-N 3.32Å; D532-M534 PolarHBondContact O-N 3.44Å; M534-A537 WeakPolarHBondContact O-CB 3.4Å; M534-A537 PolarHBondContact O-N 3.23Å; M534-V538 VanDerWaalsContact O-CG2 3.32Å; M534-V538 WeakPolarHBondContact O-CG2 3.34Å; M534-V538 PolarHBondContact O-N 3.03Å; M534-V538 HydrophobicContact SD-CG2 3.95Å; M534-H564 HydrophobicContact CB-CB 4.27Å; M534-H564 HydrophobicContact CG-CB 4.25Å; M534-H564 PolarHBondContact N-O 3.12Å; M534-K566 HydrophobicContact CB-CB 4.1Å; M534-K566 HydrophobicContact CG-CB 4.29Å; M534-P567 WeakPolarHBondContact CG-O 3.14Å; M534-R569 HydrophobicContact CE-CG 3.95Å; M534-R569 HydrophobicContact SD-CG 4.29Å; M534-L590 HydrophobicContact CE-CD2 4.15Å
535	L	98.5	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-38.4	179.8	-172.3	65.5	0	0	0	112	F488 H490 Y511 N531 D532 V538 V539 F570 I588	F488-L535 HydrophobicContact CZ-CD2 4.3Å; H490-L535 HydrophobicContact CB-CD2 3.7Å; H490-L535 WeakPolarHBondContact CD2-CD2 3.29Å; Y511-L535 HydrophobicContact CD1-CB 4.2Å; Y511-L535 HydrophobicContact CD1-CD2 4.11Å; Y511-L535 HydrophobicContact CD1-CG 4.23Å; Y511-L535 HydrophobicContact CE1-CB 4.37Å; Y511-L535 HydrophobicContact CE1-CD2 4.05Å; N531-L535 WeakPolarHBondContact O-CB 3.36Å; N531-L535 PolarHBondContact O-N 3.49Å; D532-L535 PolarHBondContact O-N 2.91Å; L535-V538 WeakPolarHBondContact O-CB 3.46Å; L535-V538 PolarHBondContact O-N 3.04Å; L535-V539 HydrophobicContact CG-CG2 4.46Å; L535-V539 WeakPolarHBondContact O-CB 3.47Å; L535-V539 VanDerWaalsContact O-CG2 3.26Å; L535-V539 WeakPolarHBondContact O-CG2 3.05Å; L535-V539 PolarHBondContact O-N 3.48Å; L535-F570 HydrophobicContact CD1-CE2 3.72Å; L535-F570 HydrophobicContact CD1-CZ 3.65Å; L535-I588 HydrophobicContact CD1-CG2 3.9Å
536	S	98.7	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-40.7	175.6	178	0	0	0	0	112	Y511 G514 D532 V538 V539 M540	Y511-S536 PolarHBondContact O-OG 3Å; G514-S536 VanDerWaalsContact CA-OG 3.31Å; G514-S536 WeakPolarHBondContact CA-OG 3.47Å; D532-S536 VanDerWaalsContact O-CB 3.26Å; D532-S536 WeakPolarHBondContact O-CB 3.45Å; D532-S536 PolarHBondContact O-N 3.45Å; S536-V538 VanDerWaalsContact C-N 3.32Å; S536-V538 PolarHBondContact O-N 2.78Å; S536-V539 PolarHBondContact O-N 3.49Å; S536-M540 WeakPolarHBondContact O-CB 3.47Å; S536-M540 WeakPolarHBondContact O-CG 3.18Å; S536-M540 PolarHBondContact O-N 3.13Å
537	A	98.6	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.2	-42.9	171.2	0	0	0	0	0	112.3	Y200 M517 V533 M534 T541 H564	Y200-A537 HydrophobicContact CE2-CB 4.14Å; Y200-A537 PolarHBondContact OH-O 2.87Å; Y200-A537 VanDerWaalsContact OH-O 3.08Å; M517-A537 HydrophobicContact CE-CB 3.5Å; M517-A537 VanDerWaalsContact CE-CB 3.5Å; V533-A537 WeakPolarHBondContact O-CB 3.36Å; V533-A537 PolarHBondContact O-N 2.97Å; M534-A537 WeakPolarHBondContact O-CB 3.4Å; M534-A537 PolarHBondContact O-N 3.23Å; A537-T541 WeakPolarHBondContact O-CB 3.11Å; A537-T541 PolarHBondContact O-N 2.97Å; A537-T541 PolarHBondContact O-OG1 3.12Å; A537-H564 WeakPolarHBondContact CB-CD2 3.25Å
538	V	98.6	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.5	-49.6	175.6	166.5	0	0	0	0	111.8	M534 L535 S536 T541 Y542 Q558 N568 F570	M534-V538 VanDerWaalsContact O-CG2 3.32Å; M534-V538 WeakPolarHBondContact O-CG2 3.34Å; M534-V538 PolarHBondContact O-N 3.03Å; M534-V538 HydrophobicContact SD-CG2 3.95Å; L535-V538 WeakPolarHBondContact O-CB 3.46Å; L535-V538 PolarHBondContact O-N 3.04Å; S536-V538 VanDerWaalsContact C-N 3.32Å; S536-V538 PolarHBondContact O-N 2.78Å; V538-T541 WeakPolarHBondContact O-CB 3.43Å; V538-T541 PolarHBondContact O-N 3.48Å; V538-Y542 HydrophobicContact CG1-CD2 3.71Å; V538-Y542 HydrophobicContact CG1-CE2 3.42Å; V538-Y542 VanDerWaalsContact CG1-CE2 3.42Å; V538-Y542 WeakPolarHBondContact O-CD2 3.42Å; V538-Y542 PolarHBondContact O-N 2.9Å; V538-Q558 PolarHBondContact O-NE2 2.7Å; V538-N568 WeakPolarHBondContact CG2-ND2 3.5Å; V538-N568 WeakPolarHBondContact CG2-OD1 3.44Å; V538-F570 HydrophobicContact CB-CD2 4.12Å; V538-F570 HydrophobicContact CB-CE2 4.25Å; V538-F570 HydrophobicContact CG1-CB 4.15Å; V538-F570 HydrophobicContact CG1-CD1 3.71Å; V538-F570 HydrophobicContact CG1-CD2 3.57Å; V538-F570 HydrophobicContact CG1-CE1 3.81Å; V538-F570 HydrophobicContact CG1-CE2 3.71Å; V538-F570 HydrophobicContact CG1-CG 3.57Å; V538-F570 HydrophobicContact CG1-CZ 3.8Å; V538-F570 HydrophobicContact CG2-CB 4.32Å; V538-F570 HydrophobicContact CG2-CD2 3.56Å; V538-F570 HydrophobicContact CG2-CE2 4.04Å; V538-F570 HydrophobicContact CG2-CG 4.12Å
539	V	98.8	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-51.1	-178.4	168.4	0	0	0	0	110.3	F488 V512 L535 S536 T541 Y542 W543 I588	F488-V539 HydrophobicContact CE2-CG2 3.99Å; V512-V539 HydrophobicContact CB-CG1 4.29Å; V512-V539 HydrophobicContact CG2-CG1 3.56Å; L535-V539 HydrophobicContact CG-CG2 4.46Å; L535-V539 WeakPolarHBondContact O-CB 3.47Å; L535-V539 VanDerWaalsContact O-CG2 3.26Å; L535-V539 WeakPolarHBondContact O-CG2 3.05Å; L535-V539 PolarHBondContact O-N 3.48Å; S536-V539 PolarHBondContact O-N 3.49Å; V539-T541 VanDerWaalsContact C-N 3.25Å; V539-T541 PolarHBondContact O-N 2.88Å; V539-Y542 PolarHBondContact O-N 3.29Å; V539-W543 HydrophobicContact CG1-CD2 4.06Å; V539-W543 HydrophobicContact CG1-CE3 3.82Å; V539-W543 HydrophobicContact CG1-CH2 4.25Å; V539-W543 HydrophobicContact CG1-CZ2 4.46Å; V539-W543 HydrophobicContact CG1-CZ3 3.93Å; V539-W543 WeakPolarHBondContact O-CB 3.07Å; V539-W543 VanDerWaalsContact O-CE3 3.25Å; V539-W543 PolarHBondContact O-N 2.73Å; V539-I588 HydrophobicContact CG2-CG2 4.1Å
540	M	98.8	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-32	175.4	-68.3	-165.3	-68.4	0	0	112.9	V196 L197 Y200 V512 G514 M517 S536 T544	V196-M540 HydrophobicContact CG1-CE 4.06Å; V196-M540 HydrophobicContact CG1-SD 4.26Å; L197-M540 HydrophobicContact CB-SD 4.2Å; L197-M540 HydrophobicContact CD1-CB 4.18Å; L197-M540 HydrophobicContact CD1-CG 3.88Å; L197-M540 HydrophobicContact CD1-SD 3.99Å; Y200-M540 HydrophobicContact CD1-CB 3.62Å; Y200-M540 HydrophobicContact CD1-CE 3.87Å; Y200-M540 HydrophobicContact CD1-SD 4.31Å; Y200-M540 HydrophobicContact CD2-CE 4.09Å; Y200-M540 HydrophobicContact CE1-CB 3.78Å; Y200-M540 HydrophobicContact CE1-CE 4.45Å; Y200-M540 HydrophobicContact CG-CE 3.7Å; Y200-M540 HydrophobicContact CG-SD 4.42Å; V512-M540 WeakPolarHBondContact O-CG 3.41Å; G514-M540 VanDerWaalsContact CA-SD 3.52Å; M517-M540 HydrophobicContact CE-CE 3.32Å; M517-M540 HydrophobicContact CG-CE 4.43Å; M517-M540 HydrophobicContact SD-CE 3.55Å; M517-M540 VanDerWaalsContact SD-CE 3.55Å; S536-M540 WeakPolarHBondContact O-CB 3.47Å; S536-M540 WeakPolarHBondContact O-CG 3.18Å; S536-M540 PolarHBondContact O-N 3.13Å; M540-T544 VanDerWaalsContact O-CB 3.29Å; M540-T544 WeakPolarHBondContact O-CB 3.21Å; M540-T544 WeakPolarHBondContact O-CG2 3.42Å; M540-T544 PolarHBondContact O-N 3.21Å; M540-T544 PolarHBondContact O-OG1 3.18Å
541	T	98.7	Very high	98.4	Very high	4 Å²	4	10.3 Å²	10.3	3%	0.025	6%	0.058	C	C	.	.	H	α-helix	trans	-63.1	-52.2	172.3	-65.2	0	0	0	0	110.9	Y200 A537 V538 V539 N545 V556	Y200-T541 PolarHBondContact OH-OG1 3.22Å; A537-T541 WeakPolarHBondContact O-CB 3.11Å; A537-T541 PolarHBondContact O-N 2.97Å; A537-T541 PolarHBondContact O-OG1 3.12Å; V538-T541 WeakPolarHBondContact O-CB 3.43Å; V538-T541 PolarHBondContact O-N 3.48Å; V539-T541 VanDerWaalsContact C-N 3.25Å; V539-T541 PolarHBondContact O-N 2.88Å; T541-N545 WeakPolarHBondContact O-CB 3.31Å; T541-N545 PolarHBondContact O-N 2.91Å; T541-N545 PolarHBondContact O-ND2 3.35Å; T541-V556 HydrophobicContact CG2-CB 4.19Å; T541-V556 HydrophobicContact CG2-CG1 4.19Å; T541-V556 WeakPolarHBondContact CG2-O 3.05Å
542	Y	98.9	Very high	98.5	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-62.5	-45.5	178.8	-70.8	-55.1	0	0	0	112.8	V538 V539 F546 P552 Q558 F570 V573 W575 L586	V538-Y542 HydrophobicContact CG1-CD2 3.71Å; V538-Y542 HydrophobicContact CG1-CE2 3.42Å; V538-Y542 VanDerWaalsContact CG1-CE2 3.42Å; V538-Y542 WeakPolarHBondContact O-CD2 3.42Å; V538-Y542 PolarHBondContact O-N 2.9Å; V539-Y542 PolarHBondContact O-N 3.29Å; Y542-F546 WeakPolarHBondContact O-CB 3.41Å; Y542-F546 PolarHBondContact O-N 3.01Å; Y542-P552 HydrophobicContact CD1-CB 3.95Å; Y542-P552 WeakPolarHBondContact CD1-O 3.45Å; Y542-P552 HydrophobicContact CG-CB 4.41Å; Y542-P552 WeakPolarHBondContact O-CA 3.38Å; Y542-Q558 VanDerWaalsContact CD2-NE2 3.33Å; Y542-Q558 HydrophobicContact CE1-CG 4.07Å; Y542-Q558 VanDerWaalsContact CE2-NE2 3.31Å; Y542-F570 AromaticContact CE2-CD1 3.73Å; Y542-F570 HydrophobicContact CE2-CD1 3.73Å; Y542-F570 HydrophobicContact CE2-CE1 4.11Å; Y542-F570 HydrophobicContact CE2-CG 4.43Å; Y542-F570 WeakPolarHBondContact OH-CD1 3.34Å; Y542-V573 PolarHBondContact OH-O 2.92Å; Y542-W575 AromaticContact CD1-CE3 3.96Å; Y542-W575 HydrophobicContact CD1-CE3 3.96Å; Y542-W575 HydrophobicContact CD2-CE3 4.2Å; Y542-W575 HydrophobicContact CD2-CZ3 4.41Å; Y542-W575 HydrophobicContact CE1-CB 4.26Å; Y542-W575 HydrophobicContact CE1-CE3 4.4Å; Y542-W575 AromaticContact CG-CE3 3.84Å; Y542-W575 HydrophobicContact CG-CE3 3.84Å; Y542-W575 HydrophobicContact CG-CZ3 4.13Å; Y542-L586 HydrophobicContact CD2-CD2 4.1Å; Y542-L586 HydrophobicContact CE2-CD2 3.57Å
543	W	98.9	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.4	-45.6	179.7	-92.4	-125.1	0	0	0	111.6	M176 I293 Q295 M384 Y486 V512 V539 F546 A547 W575 I588	M176-W543 HydrophobicContact CE-CB 4.33Å; I293-W543 HydrophobicContact CD1-CB 4.42Å; I293-W543 HydrophobicContact CD1-CG 4.04Å; Q295-W543 HydrophobicContact CG-CZ2 4.41Å; M384-W543 HydrophobicContact SD-CD2 3.95Å; M384-W543 HydrophobicContact SD-CE3 3.9Å; M384-W543 HydrophobicContact SD-CH2 4.23Å; M384-W543 HydrophobicContact SD-CZ2 4.27Å; M384-W543 HydrophobicContact SD-CZ3 4.05Å; Y486-W543 AromaticContact CD1-CH2 3.92Å; Y486-W543 HydrophobicContact CD1-CH2 3.92Å; Y486-W543 HydrophobicContact CD1-CZ2 4.41Å; Y486-W543 AromaticContact CE1-CH2 3.8Å; Y486-W543 HydrophobicContact CE1-CH2 3.8Å; Y486-W543 AromaticContact CE1-CZ2 3.86Å; Y486-W543 HydrophobicContact CE1-CZ2 3.86Å; Y486-W543 HydrophobicContact CG-CH2 4.36Å; V512-W543 HydrophobicContact CG1-CG 4.41Å; V512-W543 HydrophobicContact CG2-CD2 4.4Å; V512-W543 HydrophobicContact CG2-CZ2 3.89Å; V539-W543 HydrophobicContact CG1-CD2 4.06Å; V539-W543 HydrophobicContact CG1-CE3 3.82Å; V539-W543 HydrophobicContact CG1-CH2 4.25Å; V539-W543 HydrophobicContact CG1-CZ2 4.46Å; V539-W543 HydrophobicContact CG1-CZ3 3.93Å; V539-W543 WeakPolarHBondContact O-CB 3.07Å; V539-W543 VanDerWaalsContact O-CE3 3.25Å; V539-W543 PolarHBondContact O-N 2.73Å; W543-F546 PolarHBondContact O-N 2.97Å; W543-A547 PolarHBondContact O-N 2.97Å; W543-W575 HydrophobicContact CE3-CZ3 4.44Å; W543-W575 HydrophobicContact CH2-CH2 4.48Å; W543-W575 HydrophobicContact CZ3-CH2 4.09Å; W543-W575 AromaticContact CZ3-CZ3 3.93Å; W543-W575 HydrophobicContact CZ3-CZ3 3.93Å; W543-I588 HydrophobicContact CH2-CD1 4.01Å; W543-I588 HydrophobicContact CZ3-CD1 3.96Å
544	T	98.8	Very high	98.4	Very high	2 Å²	2	14 Å²	14	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-77.6	-29.6	-178.2	66.9	0	0	0	0	112.7	M176 L197 V203 M540 A547 K548	M176-T544 HydrophobicContact SD-CG2 4.01Å; L197-T544 HydrophobicContact CD1-CG2 3.54Å; V203-T544 HydrophobicContact CG1-CG2 4.3Å; V203-T544 HydrophobicContact CG2-CG2 4.09Å; M540-T544 VanDerWaalsContact O-CB 3.29Å; M540-T544 WeakPolarHBondContact O-CB 3.21Å; M540-T544 WeakPolarHBondContact O-CG2 3.42Å; M540-T544 PolarHBondContact O-N 3.21Å; M540-T544 PolarHBondContact O-OG1 3.18Å; T544-A547 PolarHBondContact O-N 3.33Å; T544-K548 WeakPolarHBondContact O-CB 3.46Å; T544-K548 WeakPolarHBondContact O-CD 3.1Å; T544-K548 WeakPolarHBondContact O-CG 3.49Å; T544-K548 PolarHBondContact O-N 3.01Å; T544-K548 PolarHBondContact OG1-NZ 2.85Å
545	N	98.7	Very high	98.3	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-49.2	167.6	-84.7	-11.1	0	0	0	111.2	T541 A547 K548 T549 D551 P552 Q554 P555 V556	T541-N545 WeakPolarHBondContact O-CB 3.31Å; T541-N545 PolarHBondContact O-N 2.91Å; T541-N545 PolarHBondContact O-ND2 3.35Å; N545-A547 VanDerWaalsContact C-N 3.32Å; N545-A547 PolarHBondContact O-N 2.97Å; N545-K548 WeakPolarHBondContact O-CA 3.32Å; N545-K548 WeakPolarHBondContact O-CB 3.36Å; N545-K548 PolarHBondContact O-N 3.42Å; N545-T549 PolarHBondContact O-N 2.79Å; N545-T549 PolarHBondContact O-OG1 2.95Å; N545-T549 VanDerWaalsContact O-OG1 3.06Å; N545-D551 CarbonylContact C-O 3.54Å; N545-P552 WeakPolarHBondContact CB-O 3.38Å; N545-P552 PolarHBondContact ND2-O 3.29Å; N545-Q554 CarbonylContact C-O 3.6Å; N545-Q554 VanDerWaalsContact CA-O 3.24Å; N545-Q554 WeakPolarHBondContact CA-O 3.46Å; N545-Q554 WeakPolarHBondContact CB-O 3.41Å; N545-Q554 VanDerWaalsContact CG-C 3.46Å; N545-Q554 VanDerWaalsContact O-O 3.06Å; N545-Q554 PolarHBondContact OD1-O 3.1Å; N545-P555 WeakPolarHBondContact OD1-CD 3.4Å; N545-V556 PolarHBondContact ND2-O 2.43Å; N545-V556 VanDerWaalsContact OD1-CB 3.3Å; N545-V556 WeakPolarHBondContact OD1-CB 3.44Å; N545-V556 PolarHBondContact OD1-N 3.49Å
546	F	98.8	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-43.9	175.5	-178.1	-103	0	0	0	111.5	T256 R291 A292 I293 D382 M384 Y484 Y542 W543 K548 T549 G550 P552	T256-F546 HydrophobicContact CG2-CD1 4.39Å; T256-F546 HydrophobicContact CG2-CE1 4.43Å; R291-F546 HydrophobicContact CB-CE1 3.89Å; R291-F546 HydrophobicContact CB-CZ 4.24Å; R291-F546 WeakPolarHBondContact CD-O 3.47Å; R291-F546 PolarHBondContact NE-O 3.13Å; A292-F546 WeakPolarHBondContact O-CE1 3.41Å; I293-F546 HydrophobicContact CD1-CD1 3.86Å; I293-F546 HydrophobicContact CD1-CE1 4.38Å; I293-F546 HydrophobicContact CG1-CD1 3.73Å; I293-F546 HydrophobicContact CG1-CE1 3.73Å; D382-F546 HydrophobicContact CB-CE2 3.75Å; D382-F546 HydrophobicContact CB-CZ 3.65Å; M384-F546 HydrophobicContact CB-CD1 4.23Å; M384-F546 HydrophobicContact CB-CE1 3.94Å; M384-F546 HydrophobicContact CB-CE2 4.26Å; M384-F546 HydrophobicContact CB-CZ 3.94Å; M384-F546 HydrophobicContact CE-CB 3.65Å; M384-F546 HydrophobicContact CE-CD1 4.23Å; M384-F546 HydrophobicContact CE-CD2 4.15Å; M384-F546 HydrophobicContact CE-CG 3.76Å; Y484-F546 HydrophobicContact CD2-CD2 4.24Å; Y484-F546 AromaticContact CD2-CE2 3.9Å; Y484-F546 HydrophobicContact CD2-CE2 3.9Å; Y484-F546 HydrophobicContact CE2-CD2 4.36Å; Y484-F546 HydrophobicContact CE2-CE2 4.13Å; Y542-F546 WeakPolarHBondContact O-CB 3.41Å; Y542-F546 PolarHBondContact O-N 3.01Å; W543-F546 PolarHBondContact O-N 2.97Å; F546-K548 VanDerWaalsContact C-N 3.3Å; F546-K548 PolarHBondContact O-N 2.99Å; F546-T549 PolarHBondContact O-N 3.09Å; F546-G550 WeakPolarHBondContact O-CA 3.49Å; F546-G550 PolarHBondContact O-N 3.4Å; F546-P552 HydrophobicContact CB-CB 4.36Å
547	A	98.6	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-28.6	173.4	0	0	0	0	0	114.2	M176 T256 R291 W543 T544 N545	M176-A547 HydrophobicContact CE-CB 4.33Å; M176-A547 HydrophobicContact CG-CB 3.59Å; M176-A547 HydrophobicContact SD-CB 3.66Å; T256-A547 HydrophobicContact CG2-CB 4.26Å; T256-A547 WeakPolarHBondContact OG1-CA 3.19Å; R291-A547 PolarHBondContact NH1-O 2.9Å; W543-A547 PolarHBondContact O-N 2.97Å; T544-A547 PolarHBondContact O-N 3.33Å; N545-A547 VanDerWaalsContact C-N 3.32Å; N545-A547 PolarHBondContact O-N 2.97Å
548	K	97.5	Very high	97.8	Very high	31 Å²	31	21.6 Å²	21.6	14%	0.135	12%	0.122	C	C	.	.	H	α-helix	trans	-73	-45.4	174.2	-72.4	154.3	-167.7	160.7	0	111.9	P174 G201 R254 T544 N545 F546 P555	P174-K548 HydrophobicContact CG-CB 4.29Å; P174-K548 HydrophobicContact CG-CG 3.57Å; G201-K548 WeakPolarHBondContact O-CE 3.21Å; G201-K548 PolarHBondContact O-NZ 2.91Å; R254-K548 VanDerWaalsContact CD-O 3.28Å; R254-K548 WeakPolarHBondContact CD-O 3.05Å; T544-K548 WeakPolarHBondContact O-CB 3.46Å; T544-K548 WeakPolarHBondContact O-CD 3.1Å; T544-K548 WeakPolarHBondContact O-CG 3.49Å; T544-K548 PolarHBondContact O-N 3.01Å; T544-K548 PolarHBondContact OG1-NZ 2.85Å; N545-K548 WeakPolarHBondContact O-CA 3.32Å; N545-K548 WeakPolarHBondContact O-CB 3.36Å; N545-K548 PolarHBondContact O-N 3.42Å; F546-K548 VanDerWaalsContact C-N 3.3Å; F546-K548 PolarHBondContact O-N 2.99Å; K548-P555 HydrophobicContact CD-CG 4.2Å
549	T	97.6	Very high	97.4	Very high	61 Å²	61	24.5 Å²	24.5	37%	0.374	14%	0.138	S	C	.	.	H	α-helix	trans	-126.7	-30.1	-162.1	63.6	0	0	0	0	116.1	R291 N545 F546 D551 Q554	R291-T549 PolarHBondContact NH2-O 2.91Å; R291-T549 VanDerWaalsContact NH2-O 3.09Å; N545-T549 PolarHBondContact O-N 2.79Å; N545-T549 PolarHBondContact O-OG1 2.95Å; N545-T549 VanDerWaalsContact O-OG1 3.06Å; F546-T549 PolarHBondContact O-N 3.09Å; T549-D551 PolarHBondContact OG1-N 3.33Å; T549-D551 PolarHBondContact OG1-O 3.07Å; T549-Q554 HydrophobicContact CG2-CB 4.04Å; T549-Q554 VanDerWaalsContact CG2-O 3.22Å; T549-Q554 WeakPolarHBondContact CG2-O 3.5Å; T549-Q554 PolarHBondContact OG1-O 2.91Å
550	G	97.8	Very high	97.1	Very high	7 Å²	7	27.6 Å²	27.6	7%	0.072	16%	0.156	C	C	.	.	S	Bend	trans	95.7	-0.7	-163.9	0	0	0	0	0	113.6	R291 D382 Y484 F546	R291-G550 VanDerWaalsContact NE-CA 3.3Å; D382-G550 VanDerWaalsContact OD2-CA 3.24Å; D382-G550 WeakPolarHBondContact OD2-CA 3.4Å; Y484-G550 VanDerWaalsContact CE2-O 3.28Å; Y484-G550 WeakPolarHBondContact CE2-O 3.28Å; F546-G550 WeakPolarHBondContact O-CA 3.49Å; F546-G550 PolarHBondContact O-N 3.4Å
551	D	98.5	Very high	96.7	Very high	46 Å²	46	31.2 Å²	31.2	25%	0.246	17%	0.172	C	C	.	.			trans	-126.8	118.8	175.8	180	-9.8	0	0	0	108.9	N545 T549 N553 Q554	N545-D551 CarbonylContact C-O 3.54Å; T549-D551 PolarHBondContact OG1-N 3.33Å; T549-D551 PolarHBondContact OG1-O 3.07Å; D551-N553 PolarHBondContact O-N 2.7Å; D551-N553 VanDerWaalsContact OD1-CB 3.24Å; D551-N553 WeakPolarHBondContact OD1-CB 3.44Å; D551-N553 PolarHBondContact OD1-N 2.66Å; D551-N553 PolarHBondContact OD1-ND2 2.94Å; D551-Q554 HydrophobicContact CB-CB 4.3Å; D551-Q554 HydrophobicContact CB-CG 4.34Å; D551-Q554 PolarHBondContact O-N 3.24Å; D551-Q554 VanDerWaalsContact O-N 3.08Å
552	P	98.6	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.9	178.8	28.1	-34.7	0	0	0	113	M384 Y484 Y542 N545 F546 W575	M384-P552 HydrophobicContact CE-CB 3.77Å; M384-P552 HydrophobicContact CE-CG 4.32Å; Y484-P552 HydrophobicContact CD1-CG 3.71Å; Y484-P552 VanDerWaalsContact CE1-CD 3.46Å; Y484-P552 HydrophobicContact CE1-CG 3.83Å; Y484-P552 HydrophobicContact CG-CG 4.07Å; Y484-P552 VanDerWaalsContact CZ-CD 3.42Å; Y542-P552 HydrophobicContact CD1-CB 3.95Å; Y542-P552 WeakPolarHBondContact CD1-O 3.45Å; Y542-P552 HydrophobicContact CG-CB 4.41Å; Y542-P552 WeakPolarHBondContact O-CA 3.38Å; N545-P552 WeakPolarHBondContact CB-O 3.38Å; N545-P552 PolarHBondContact ND2-O 3.29Å; F546-P552 HydrophobicContact CB-CB 4.36Å; P552-W575 HydrophobicContact CB-CD2 4.36Å; P552-W575 HydrophobicContact CB-CE3 3.74Å; P552-W575 HydrophobicContact CB-CZ3 4.2Å; P552-W575 HydrophobicContact CG-CB 4.11Å; P552-W575 HydrophobicContact CG-CD2 3.9Å; P552-W575 HydrophobicContact CG-CE3 3.8Å; P552-W575 HydrophobicContact CG-CG 4.07Å
553	N	98.3	Very high	95.6	Very high	38 Å²	38	40.8 Å²	40.8	20%	0.203	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.6	178.3	-51.6	-79.9	0	0	0	113.7	D551 A574 W575	D551-N553 PolarHBondContact O-N 2.7Å; D551-N553 VanDerWaalsContact OD1-CB 3.24Å; D551-N553 WeakPolarHBondContact OD1-CB 3.44Å; D551-N553 PolarHBondContact OD1-N 2.66Å; D551-N553 PolarHBondContact OD1-ND2 2.94Å; N553-A574 WeakPolarHBondContact OD1-CA 3.31Å; N553-W575 PolarHBondContact ND2-O 2.98Å; N553-W575 PolarHBondContact OD1-N 3.45Å
554	Q	96.4	Very high	95.2	Very high	101 Å²	101	40.9 Å²	40.9	47%	0.472	22%	0.215	S	C	.	.	S	Bend	trans	-134.5	137.8	-170.4	-62.2	-61.3	-29.4	0	0	113.7	N545 T549 D551	N545-Q554 CarbonylContact C-O 3.6Å; N545-Q554 VanDerWaalsContact CA-O 3.24Å; N545-Q554 WeakPolarHBondContact CA-O 3.46Å; N545-Q554 WeakPolarHBondContact CB-O 3.41Å; N545-Q554 VanDerWaalsContact CG-C 3.46Å; N545-Q554 VanDerWaalsContact O-O 3.06Å; N545-Q554 PolarHBondContact OD1-O 3.1Å; T549-Q554 HydrophobicContact CG2-CB 4.04Å; T549-Q554 VanDerWaalsContact CG2-O 3.22Å; T549-Q554 WeakPolarHBondContact CG2-O 3.5Å; T549-Q554 PolarHBondContact OG1-O 2.91Å; D551-Q554 HydrophobicContact CB-CB 4.3Å; D551-Q554 HydrophobicContact CB-CG 4.34Å; D551-Q554 PolarHBondContact O-N 3.24Å; D551-Q554 VanDerWaalsContact O-N 3.08Å
555	P	95.8	Very high	94.9	Very high	70 Å²	70	44 Å²	44	46%	0.455	23%	0.234	S	C	.	.	S	Bend	cis	-100.3	-0.6	7.7	39.2	-35.6	0	0	0	114.5	N545 K548 P557	N545-P555 WeakPolarHBondContact OD1-CD 3.4Å; K548-P555 HydrophobicContact CD-CG 4.2Å; P555-P557 WeakPolarHBondContact O-CD 3.31Å
556	V	94.8	Very high	94.6	Very high	18 Å²	18	48.6 Å²	48.6	11%	0.109	25%	0.254	C	S	.	.	S	Bend	trans	-98	112.2	-174.7	-172.4	0	0	0	0	110.2	T541 N545	T541-V556 HydrophobicContact CG2-CB 4.19Å; T541-V556 HydrophobicContact CG2-CG1 4.19Å; T541-V556 WeakPolarHBondContact CG2-O 3.05Å; N545-V556 PolarHBondContact ND2-O 2.43Å; N545-V556 VanDerWaalsContact OD1-CB 3.3Å; N545-V556 WeakPolarHBondContact OD1-CB 3.44Å; N545-V556 PolarHBondContact OD1-N 3.49Å
557	P	95.4	Very high	94.4	Very high	59 Å²	59	52.8 Å²	52.8	38%	0.383	28%	0.281	S	S	.	.			trans	-67.6	156.7	172.8	28.1	-34.6	0	0	0	111.7	P555 D559	P555-P557 WeakPolarHBondContact O-CD 3.31Å; P557-D559 WeakPolarHBondContact CG-OD1 3.46Å; P557-D559 PolarHBondContact O-N 2.76Å
558	Q	94.9	Very high	94.2	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.065	28%	0.283	C	S	.	.			trans	-75.4	44	-178.2	-71.6	-71.5	-2.5	0	0	113.2	V538 Y542 N568 F570 E571	V538-Q558 PolarHBondContact O-NE2 2.7Å; Y542-Q558 VanDerWaalsContact CD2-NE2 3.33Å; Y542-Q558 HydrophobicContact CE1-CG 4.07Å; Y542-Q558 VanDerWaalsContact CE2-NE2 3.31Å; Q558-N568 PolarHBondContact O-ND2 2.8Å; Q558-N568 PolarHBondContact OE1-ND2 3.27Å; Q558-F570 HydrophobicContact CB-CB 4.24Å; Q558-F570 WeakPolarHBondContact CB-O 3.41Å; Q558-F570 HydrophobicContact CG-CB 4.18Å; Q558-E571 WeakPolarHBondContact O-CG 3.5Å
559	D	92	Very high	94.1	Very high	61 Å²	61	56.9 Å²	56.9	33%	0.326	30%	0.296	S	S	.	.			trans	-65.8	141.3	-177.8	-45.5	-41.1	0	0	0	112.4	P557 K561 H564	P557-D559 WeakPolarHBondContact CG-OD1 3.46Å; P557-D559 PolarHBondContact O-N 2.76Å; D559-K561 HydrophobicContact CB-CG 4.39Å; D559-K561 PolarHBondContact O-N 3.23Å; D559-K561 VanDerWaalsContact O-N 3.13Å; D559-H564 PolarHBondContact O-CE1 3.15Å
560	T	92.2	Very high	94.1	Very high	64 Å²	64	54 Å²	54	39%	0.393	28%	0.279	S	S	.	.			trans	-62.2	113.8	162.3	-63.1	0	0	0	0	111.4	P567 N568 E571	T560-P567 WeakPolarHBondContact OG1-CA 3.26Å; T560-N568 PolarHBondContact OG1-N 2.86Å; T560-E571 WeakPolarHBondContact CB-OE1 3.27Å; T560-E571 PolarHBondContact N-OE1 3.42Å; T560-E571 PolarHBondContact OG1-OE1 2.68Å
561	K	90.3	Very high	93.8	Very high	76 Å²	76	59 Å²	59	33%	0.33	30%	0.3	S	S	.	.			trans	-123.1	156.6	172.6	-58.8	167.8	-167	161.5	0	110.2	D559 I563 H564	D559-K561 HydrophobicContact CB-CG 4.39Å; D559-K561 PolarHBondContact O-N 3.23Å; D559-K561 VanDerWaalsContact O-N 3.13Å; K561-I563 HydrophobicContact CB-CG2 4.08Å; K561-I563 PolarHBondContact O-N 3.03Å; K561-H564 PolarHBondContact N-ND1 3.4Å; K561-H564 VanDerWaalsContact N-ND1 3.13Å; K561-H564 WeakPolarHBondContact O-CB 3.32Å; K561-H564 PolarHBondContact O-N 2.77Å; K561-H564 PolarHBondContact O-ND1 3.23Å
562	F	85.6	Confident	93.5	Very high	194 Å²	194	66.1 Å²	66.1	85%	0.851	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-47.6	-39.6	-177.5	-68.8	-69.6	0	0	0	114.8	I73 H564 T565	I73-F562 HydrophobicContact CD1-CB 4.07Å; F562-H564 PolarHBondContact O-N 3.33Å; F562-H564 VanDerWaalsContact O-N 3.09Å; F562-T565 PolarHBondContact O-N 3.06Å
563	I	89.1	Confident	93.4	Very high	13 Å²	13	67.3 Å²	67.3	7%	0.067	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-52.6	-27.9	177.2	-169.6	65.4	0	0	0	114.4	I73 L74 Y200 M517 V533 K561 T565	I73-I563 HydrophobicContact CB-CD1 4.02Å; I73-I563 HydrophobicContact CD1-CB 4.49Å; I73-I563 HydrophobicContact CD1-CD1 4.43Å; I73-I563 HydrophobicContact CG2-CB 4.25Å; I73-I563 HydrophobicContact CG2-CD1 4.11Å; L74-I563 HydrophobicContact CD2-CD1 4.02Å; L74-I563 HydrophobicContact CG-CD1 4.19Å; Y200-I563 HydrophobicContact CD2-CG1 4.05Å; Y200-I563 HydrophobicContact CE2-CG1 3.92Å; Y200-I563 HydrophobicContact CE2-CG2 3.91Å; M517-I563 HydrophobicContact CE-CG1 3.89Å; M517-I563 HydrophobicContact SD-CD1 3.83Å; M517-I563 HydrophobicContact SD-CG1 3.8Å; V533-I563 VanDerWaalsContact CG1-O 3.31Å; V533-I563 WeakPolarHBondContact CG1-O 3.42Å; K561-I563 HydrophobicContact CB-CG2 4.08Å; K561-I563 PolarHBondContact O-N 3.03Å; I563-T565 VanDerWaalsContact C-N 3.33Å; I563-T565 PolarHBondContact O-N 3.21Å
564	H	90.2	Very high	93.3	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.009	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-73.9	-22.7	179.4	-58.8	79.3	0	0	0	112.9	M534 A537 D559 K561 F562 K566 N568	M534-H564 HydrophobicContact CB-CB 4.27Å; M534-H564 HydrophobicContact CG-CB 4.25Å; M534-H564 PolarHBondContact N-O 3.12Å; A537-H564 WeakPolarHBondContact CB-CD2 3.25Å; D559-H564 PolarHBondContact O-CE1 3.15Å; K561-H564 PolarHBondContact N-ND1 3.4Å; K561-H564 VanDerWaalsContact N-ND1 3.13Å; K561-H564 WeakPolarHBondContact O-CB 3.32Å; K561-H564 PolarHBondContact O-N 2.77Å; K561-H564 PolarHBondContact O-ND1 3.23Å; F562-H564 PolarHBondContact O-N 3.33Å; F562-H564 VanDerWaalsContact O-N 3.09Å; H564-K566 VanDerWaalsContact CB-O 3.27Å; H564-K566 WeakPolarHBondContact CB-O 2.97Å; H564-K566 PolarHBondContact O-N 3.46Å; H564-N568 PolarHBondContact NE2-ND2 3.02Å
565	T	91.3	Very high	93.4	Very high	68 Å²	68	63.8 Å²	63.8	42%	0.417	33%	0.332	S	S	.	.	S	Bend	trans	58.5	-8.1	-172.9	79	0	0	0	0	117.2	K530 V533 F562 I563	K530-T565 WeakPolarHBondContact CB-OG1 3.4Å; K530-T565 PolarHBondContact O-OG1 3.3Å; V533-T565 HydrophobicContact CB-CG2 4.47Å; V533-T565 HydrophobicContact CG1-CG2 4Å; F562-T565 PolarHBondContact O-N 3.06Å; I563-T565 VanDerWaalsContact C-N 3.33Å; I563-T565 PolarHBondContact O-N 3.21Å
566	K	93	Very high	93.6	Very high	97 Å²	97	63.6 Å²	63.6	42%	0.422	33%	0.33	S	S	.	.	S	Bend	trans	-140.9	160.2	174.7	-81.3	-74.8	-174.5	175.8	0	109.4	K530 M534 H564 N568	K530-K566 HydrophobicContact CB-CG 3.79Å; K530-K566 WeakPolarHBondContact O-CG 3.31Å; M534-K566 HydrophobicContact CB-CB 4.1Å; M534-K566 HydrophobicContact CG-CB 4.29Å; H564-K566 VanDerWaalsContact CB-O 3.27Å; H564-K566 WeakPolarHBondContact CB-O 2.97Å; H564-K566 PolarHBondContact O-N 3.46Å; K566-N568 PolarHBondContact O-N 3.2Å
567	P	94.1	Very high	93.7	Very high	89 Å²	89	68 Å²	68	58%	0.578	35%	0.345	S	S	*	.			trans	-55.6	133.5	168.9	-23.7	34.5	0	0	0	111.5	M534 T560 R569	M534-P567 WeakPolarHBondContact CG-O 3.14Å; T560-P567 WeakPolarHBondContact OG1-CA 3.26Å; P567-R569 PolarHBondContact O-N 3Å
568	N	95.4	Very high	93.9	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.032	33%	0.328	C	S	.	.			trans	-69.8	122.8	176	-173.3	-26	0	0	0	108.8	V538 Q558 T560 H564 K566 F570 E571	V538-N568 WeakPolarHBondContact CG2-ND2 3.5Å; V538-N568 WeakPolarHBondContact CG2-OD1 3.44Å; Q558-N568 PolarHBondContact O-ND2 2.8Å; Q558-N568 PolarHBondContact OE1-ND2 3.27Å; T560-N568 PolarHBondContact OG1-N 2.86Å; H564-N568 PolarHBondContact NE2-ND2 3.02Å; K566-N568 PolarHBondContact O-N 3.2Å; N568-F570 PolarHBondContact O-N 3.21Å; N568-F570 WeakPolarHBondContact OD1-CB 3.24Å; N568-F570 PolarHBondContact OD1-N 2.62Å; N568-E571 HydrophobicContact CB-CG 4.23Å
569	R	95.5	Very high	94	Very high	111 Å²	111	66.8 Å²	66.8	42%	0.419	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.6	-177.3	-56.6	-172.6	-167.3	-156	4.4	113.4	N531 M534 P567 L590 P592	N531-R569 PolarHBondContact OD1-NH2 2.94Å; M534-R569 HydrophobicContact CE-CG 3.95Å; M534-R569 HydrophobicContact SD-CG 4.29Å; P567-R569 PolarHBondContact O-N 3Å; R569-L590 VanDerWaalsContact CD-O 3.26Å; R569-L590 WeakPolarHBondContact CD-O 3.31Å; R569-L590 PolarHBondContact NH1-O 3.02Å; R569-P592 HydrophobicContact CB-CG 3.91Å; R569-P592 WeakPolarHBondContact O-CG 3.34Å
570	F	97	Very high	94.3	Very high	1 Å²	1	68 Å²	68	0%	0.004	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	8.5	-174.2	-62.2	-113.7	0	0	0	112.6	L535 V538 Y542 Q558 N568 E572 V573 L586 I588 P592	L535-F570 HydrophobicContact CD1-CE2 3.72Å; L535-F570 HydrophobicContact CD1-CZ 3.65Å; V538-F570 HydrophobicContact CB-CD2 4.12Å; V538-F570 HydrophobicContact CB-CE2 4.25Å; V538-F570 HydrophobicContact CG1-CB 4.15Å; V538-F570 HydrophobicContact CG1-CD1 3.71Å; V538-F570 HydrophobicContact CG1-CD2 3.57Å; V538-F570 HydrophobicContact CG1-CE1 3.81Å; V538-F570 HydrophobicContact CG1-CE2 3.71Å; V538-F570 HydrophobicContact CG1-CG 3.57Å; V538-F570 HydrophobicContact CG1-CZ 3.8Å; V538-F570 HydrophobicContact CG2-CB 4.32Å; V538-F570 HydrophobicContact CG2-CD2 3.56Å; V538-F570 HydrophobicContact CG2-CE2 4.04Å; V538-F570 HydrophobicContact CG2-CG 4.12Å; Y542-F570 AromaticContact CE2-CD1 3.73Å; Y542-F570 HydrophobicContact CE2-CD1 3.73Å; Y542-F570 HydrophobicContact CE2-CE1 4.11Å; Y542-F570 HydrophobicContact CE2-CG 4.43Å; Y542-F570 WeakPolarHBondContact OH-CD1 3.34Å; Q558-F570 HydrophobicContact CB-CB 4.24Å; Q558-F570 WeakPolarHBondContact CB-O 3.41Å; Q558-F570 HydrophobicContact CG-CB 4.18Å; N568-F570 PolarHBondContact O-N 3.21Å; N568-F570 WeakPolarHBondContact OD1-CB 3.24Å; N568-F570 PolarHBondContact OD1-N 2.62Å; F570-E572 PolarHBondContact O-N 3.18Å; F570-V573 HydrophobicContact CB-CB 4.14Å; F570-V573 HydrophobicContact CD1-CB 4.29Å; F570-V573 HydrophobicContact CD1-CG1 4.27Å; F570-V573 PolarHBondContact O-N 3.07Å; F570-L586 HydrophobicContact CE1-CD1 4.44Å; F570-L586 HydrophobicContact CE1-CD2 4.41Å; F570-I588 HydrophobicContact CZ-CG2 4.33Å; F570-P592 HydrophobicContact CD1-CB 3.53Å; F570-P592 HydrophobicContact CD1-CG 3.98Å; F570-P592 HydrophobicContact CD2-CB 4.11Å; F570-P592 HydrophobicContact CD2-CG 3.76Å; F570-P592 HydrophobicContact CE1-CB 3.25Å; F570-P592 HydrophobicContact CE1-CG 4.01Å; F570-P592 HydrophobicContact CE2-CB 3.83Å; F570-P592 HydrophobicContact CE2-CG 3.75Å; F570-P592 HydrophobicContact CG-CB 3.99Å; F570-P592 HydrophobicContact CG-CG 3.89Å; F570-P592 HydrophobicContact CZ-CB 3.42Å; F570-P592 VanDerWaalsContact CZ-CB 3.42Å; F570-P592 HydrophobicContact CZ-CG 3.91Å
571	E	92.7	Very high	94.4	Very high	111 Å²	111	72.3 Å²	72.3	52%	0.519	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-39.2	178.7	-79.4	178.3	173.8	0	0	113.3	Q558 T560 N568	Q558-E571 WeakPolarHBondContact O-CG 3.5Å; T560-E571 WeakPolarHBondContact CB-OE1 3.27Å; T560-E571 PolarHBondContact N-OE1 3.42Å; T560-E571 PolarHBondContact OG1-OE1 2.68Å; N568-E571 HydrophobicContact CB-CG 4.23Å
572	E	91.4	Very high	94.8	Very high	196 Å²	196	71.7 Å²	71.7	92%	0.916	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	9	177.4	-59.1	-172.9	148.3	0	0	113.3	F570	F570-E572 PolarHBondContact O-N 3.18Å
573	V	96.3	Very high	95.4	Very high	25 Å²	25	63.7 Å²	63.7	15%	0.152	32%	0.32	C	S	.	.			trans	-105.1	86.5	-172.9	-173.6	0	0	0	0	111	Y542 F570 L586 P592	Y542-V573 PolarHBondContact OH-O 2.92Å; F570-V573 HydrophobicContact CB-CB 4.14Å; F570-V573 HydrophobicContact CD1-CB 4.29Å; F570-V573 HydrophobicContact CD1-CG1 4.27Å; F570-V573 PolarHBondContact O-N 3.07Å; V573-L586 HydrophobicContact CG1-CD1 3.55Å; V573-P592 HydrophobicContact CG2-CB 4.46Å; V573-P592 HydrophobicContact CG2-CG 4.3Å
574	A	97	Very high	95.9	Very high	63 Å²	63	65 Å²	65	52%	0.521	33%	0.327	S	S	.	.			trans	-71.2	130.9	165.9	0	0	0	0	0	110.5	N553 T576 V594	N553-A574 WeakPolarHBondContact OD1-CA 3.31Å; A574-T576 PolarHBondContact O-N 3.29Å; A574-V594 WeakPolarHBondContact O-CG2 3.43Å
575	W	98.4	Very high	96.3	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.008	33%	0.328	C	S	.	.			trans	-85.7	99.9	175.1	-172.1	-10.4	0	0	0	109.4	M384 Y484 F485 Y486 Y542 W543 P552 N553 L586	M384-W575 HydrophobicContact CE-CE3 4.41Å; M384-W575 HydrophobicContact CE-CH2 3.67Å; M384-W575 HydrophobicContact CE-CZ2 4.48Å; M384-W575 HydrophobicContact CE-CZ3 3.63Å; M384-W575 HydrophobicContact CG-CH2 3.68Å; M384-W575 HydrophobicContact CG-CZ2 4.04Å; M384-W575 HydrophobicContact SD-CH2 3.49Å; M384-W575 WeakPolarHBondContact SD-CH2 3.48Å; M384-W575 HydrophobicContact SD-CZ2 4.41Å; M384-W575 HydrophobicContact SD-CZ3 3.93Å; Y484-W575 HydrophobicContact CD1-CG 4.38Å; F485-W575 PolarHBondContact O-NE1 2.84Å; Y486-W575 AromaticContact CD1-CH2 3.97Å; Y486-W575 HydrophobicContact CD1-CH2 3.97Å; Y486-W575 HydrophobicContact CD1-CZ2 4.21Å; Y486-W575 HydrophobicContact CG-CH2 4.31Å; Y486-W575 HydrophobicContact CG-CZ2 4.43Å; Y542-W575 AromaticContact CD1-CE3 3.96Å; Y542-W575 HydrophobicContact CD1-CE3 3.96Å; Y542-W575 HydrophobicContact CD2-CE3 4.2Å; Y542-W575 HydrophobicContact CD2-CZ3 4.41Å; Y542-W575 HydrophobicContact CE1-CB 4.26Å; Y542-W575 HydrophobicContact CE1-CE3 4.4Å; Y542-W575 AromaticContact CG-CE3 3.84Å; Y542-W575 HydrophobicContact CG-CE3 3.84Å; Y542-W575 HydrophobicContact CG-CZ3 4.13Å; W543-W575 HydrophobicContact CE3-CZ3 4.44Å; W543-W575 HydrophobicContact CH2-CH2 4.48Å; W543-W575 HydrophobicContact CZ3-CH2 4.09Å; W543-W575 AromaticContact CZ3-CZ3 3.93Å; W543-W575 HydrophobicContact CZ3-CZ3 3.93Å; P552-W575 HydrophobicContact CB-CD2 4.36Å; P552-W575 HydrophobicContact CB-CE3 3.74Å; P552-W575 HydrophobicContact CB-CZ3 4.2Å; P552-W575 HydrophobicContact CG-CB 4.11Å; P552-W575 HydrophobicContact CG-CD2 3.9Å; P552-W575 HydrophobicContact CG-CE3 3.8Å; P552-W575 HydrophobicContact CG-CG 4.07Å; N553-W575 PolarHBondContact ND2-O 2.98Å; N553-W575 PolarHBondContact OD1-N 3.45Å; W575-L586 HydrophobicContact CB-CD2 4.23Å; W575-L586 HydrophobicContact CD2-CB 3.79Å; W575-L586 HydrophobicContact CD2-CD2 3.65Å; W575-L586 HydrophobicContact CD2-CG 4.36Å; W575-L586 HydrophobicContact CE3-CB 4.45Å; W575-L586 HydrophobicContact CE3-CD2 3.52Å; W575-L586 HydrophobicContact CG-CB 3.8Å; W575-L586 HydrophobicContact CG-CD2 3.97Å; W575-L586 HydrophobicContact CG-CG 4.44Å; W575-L586 HydrophobicContact CZ2-CB 4.44Å; W575-L586 HydrophobicContact CZ3-CD2 4.12Å
576	T	98.3	Very high	96.6	Very high	66 Å²	66	62 Å²	62	41%	0.405	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-66	146.2	177.7	-42.7	0	0	0	0	111.8	A574 L584	A574-T576 PolarHBondContact O-N 3.29Å; T576-L584 HydrophobicContact CG2-CD1 3.6Å
577	R	98.5	Very high	96.9	Very high	111 Å²	111	58.3 Å²	58.3	42%	0.419	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-55.9	144.4	168.7	-82.4	-179.3	61.8	165	0.5	111.6	G480 S481 Y484	G480-R577 PolarHBondContact O-NH2 3.35Å; S481-R577 PolarHBondContact O-NH2 3.16Å; Y484-R577 HydrophobicContact CD1-CG 4.23Å; Y484-R577 HydrophobicContact CE1-CB 4.27Å; Y484-R577 HydrophobicContact CE1-CG 3.49Å; Y484-R577 VanDerWaalsContact CE1-CG 3.49Å; Y484-R577 HydrophobicContact CE2-CG 4.11Å; Y484-R577 VanDerWaalsContact CZ-CG 3.43Å; Y484-R577 WeakPolarHBondContact OH-CG 3.38Å
578	Y	98.8	Very high	97.1	Very high	9 Å²	9	54 Å²	54	4%	0.035	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-75.4	151.6	167.8	-171.5	-90	0	0	0	111.2	A473 D474 T483 F485 Q583 L584	A473-Y578 HydrophobicContact CB-CD1 3.89Å; A473-Y578 HydrophobicContact CB-CE1 3.59Å; A473-Y578 HydrophobicContact CB-CE2 4.43Å; A473-Y578 HydrophobicContact CB-CG 4.45Å; D474-Y578 VanDerWaalsContact OD1-CE1 3.3Å; D474-Y578 WeakPolarHBondContact OD1-CE1 3.25Å; D474-Y578 PolarHBondContact OD1-OH 3.01Å; T483-Y578 HydrophobicContact CG2-CD1 4.14Å; T483-Y578 HydrophobicContact CG2-CG 4.37Å; T483-Y578 PolarHBondContact O-N 3.34Å; F485-Y578 HydrophobicContact CB-CD2 3.48Å; F485-Y578 VanDerWaalsContact CB-CD2 3.48Å; F485-Y578 HydrophobicContact CB-CE2 4.07Å; F485-Y578 HydrophobicContact CB-CG 4.14Å; F485-Y578 HydrophobicContact CD2-CD2 4.44Å; F485-Y578 HydrophobicContact CD2-CE2 4.31Å; F485-Y578 HydrophobicContact CG-CD2 4.2Å; F485-Y578 HydrophobicContact CG-CE2 4.3Å; Y578-Q583 HydrophobicContact CE2-CB 3.8Å; Y578-Q583 HydrophobicContact CE2-CG 4.22Å; Y578-Q583 WeakPolarHBondContact OH-CG 3.49Å; Y578-Q583 PolarHBondContact OH-NE2 2.68Å; Y578-L584 WeakPolarHBondContact CD2-O 3.49Å
579	S	98.1	Very high	97.2	Very high	37 Å²	37	53.8 Å²	53.8	26%	0.259	26%	0.263	S	S	.	.			trans	-151.7	148.7	166.7	73	0	0	0	0	108.5	K581 D582 Q583	S579-K581 PolarHBondContact O-N 2.81Å; S579-K581 VanDerWaalsContact O-N 3.12Å; S579-D582 PolarHBondContact O-N 3.23Å; S579-D582 PolarHBondContact OG-N 2.83Å; S579-D582 VanDerWaalsContact OG-N 3.15Å; S579-D582 PolarHBondContact OG-OD2 3.34Å; S579-Q583 VanDerWaalsContact O-CA 3.24Å; S579-Q583 WeakPolarHBondContact O-CA 3.41Å; S579-Q583 WeakPolarHBondContact O-CG 3.4Å; S579-Q583 PolarHBondContact O-N 2.82Å
580	Q	96.5	Very high	97.3	Very high	87 Å²	87	50.7 Å²	50.7	41%	0.407	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.8	174	175.4	169	73.2	0	0	113	D474 S477 N478 Q583	D474-Q580 HydrophobicContact CB-CB 4.21Å; D474-Q580 HydrophobicContact CB-CG 4.29Å; D474-Q580 VanDerWaalsContact CG-NE2 3.35Å; D474-Q580 WeakPolarHBondContact OD1-CA 3.3Å; D474-Q580 WeakPolarHBondContact OD2-CG 3.36Å; D474-Q580 PolarHBondContact OD2-NE2 3.31Å; S477-Q580 PolarHBondContact OG-N 3.25Å; N478-Q580 PolarHBondContact ND2-OE1 3.03Å; N478-Q580 WeakPolarHBondContact OD1-CB 3.36Å; N478-Q580 PolarHBondContact OD1-OE1 3.49Å; Q580-Q583 VanDerWaalsContact O-CG 3.25Å; Q580-Q583 WeakPolarHBondContact O-CG 3.18Å
581	K	96.1	Very high	97.3	Very high	154 Å²	154	57.2 Å²	57.2	67%	0.67	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-45.8	-179.1	176.4	-178.3	154.3	-68	0	113.3	S579	S579-K581 PolarHBondContact O-N 2.81Å; S579-K581 VanDerWaalsContact O-N 3.12Å
582	D	97.7	Very high	97.5	Very high	63 Å²	63	52.9 Å²	52.9	34%	0.337	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-15	-169.5	-58.7	-67.9	0	0	0	112.7	S579 L584	S579-D582 PolarHBondContact O-N 3.23Å; S579-D582 PolarHBondContact OG-N 2.83Å; S579-D582 VanDerWaalsContact OG-N 3.15Å; S579-D582 PolarHBondContact OG-OD2 3.34Å; D582-L584 HydrophobicContact CB-CD1 4.41Å; D582-L584 HydrophobicContact CB-CG 4.02Å; D582-L584 PolarHBondContact O-N 3.08Å
583	Q	98.4	Very high	97.8	Very high	26 Å²	26	48.6 Å²	48.6	12%	0.121	24%	0.24	C	C	.	.			trans	40.7	44.6	176	-57.2	-171.1	-44.3	0	0	114.1	D474 Y578 S579 Q580 H597	D474-Q583 PolarHBondContact OD1-NE2 3.04Å; D474-Q583 PolarHBondContact OD2-NE2 2.79Å; Y578-Q583 HydrophobicContact CE2-CB 3.8Å; Y578-Q583 HydrophobicContact CE2-CG 4.22Å; Y578-Q583 WeakPolarHBondContact OH-CG 3.49Å; Y578-Q583 PolarHBondContact OH-NE2 2.68Å; S579-Q583 VanDerWaalsContact O-CA 3.24Å; S579-Q583 WeakPolarHBondContact O-CA 3.41Å; S579-Q583 WeakPolarHBondContact O-CG 3.4Å; S579-Q583 PolarHBondContact O-N 2.82Å; Q580-Q583 VanDerWaalsContact O-CG 3.25Å; Q580-Q583 WeakPolarHBondContact O-CG 3.18Å; Q583-H597 PolarHBondContact O-N 3.11Å; Q583-H597 PolarHBondContact OE1-ND1 3.38Å
584	L	98.8	Very high	97.9	Very high	41 Å²	41	49.7 Å²	49.7	22%	0.215	25%	0.246	C	C	.	.			trans	-74.9	129.2	-176.7	-62.3	179.7	0	0	0	111.3	T576 Y578 D582 V594 K595 E596	T576-L584 HydrophobicContact CG2-CD1 3.6Å; Y578-L584 WeakPolarHBondContact CD2-O 3.49Å; D582-L584 HydrophobicContact CB-CD1 4.41Å; D582-L584 HydrophobicContact CB-CG 4.02Å; D582-L584 PolarHBondContact O-N 3.08Å; L584-V594 HydrophobicContact CB-CG1 4.12Å; L584-V594 HydrophobicContact CD2-CG1 4.2Å; L584-K595 CarbonylContact C-O 3.57Å; L584-K595 VanDerWaalsContact CA-O 3.31Å; L584-K595 WeakPolarHBondContact CA-O 3.3Å; L584-E596 HydrophobicContact CD2-CB 3.97Å
585	Y	98.8	Very high	97.9	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.5	178.6	70.1	-80.5	0	0	0	112.5	F485 A487 H587 V594 K595 E596 Y598	F485-Y585 HydrophobicContact CD1-CG 4.41Å; F485-Y585 VanDerWaalsContact O-CA 3.25Å; F485-Y585 WeakPolarHBondContact O-CA 3.44Å; F485-Y585 WeakPolarHBondContact O-CB 3.23Å; A487-Y585 HydrophobicContact CB-CD2 3.9Å; A487-Y585 HydrophobicContact CB-CE2 3.88Å; Y585-H587 HydrophobicContact CE2-CB 4.32Å; Y585-V594 CarbonylContact O-C 3.59Å; Y585-V594 WeakPolarHBondContact O-CA 3.25Å; Y585-K595 HydrophobicContact CD1-CB 4.04Å; Y585-K595 WeakPolarHBondContact CD1-O 3.33Å; Y585-K595 HydrophobicContact CE1-CB 3.39Å; Y585-K595 HydrophobicContact CE2-CB 3.95Å; Y585-K595 HydrophobicContact CE2-CD 4.24Å; Y585-K595 PolarHBondContact N-O 2.86Å; Y585-K595 PolarHBondContact O-N 2.97Å; Y585-K595 WeakPolarHBondContact OH-CB 3.42Å; Y585-K595 WeakPolarHBondContact OH-CD 3.43Å; Y585-E596 WeakPolarHBondContact CE1-O 3.38Å; Y585-Y598 HydrophobicContact CD2-CD2 4.42Å; Y585-Y598 HydrophobicContact CE1-CD2 4.14Å; Y585-Y598 HydrophobicContact CE1-CG 4.31Å; Y585-Y598 AromaticContact CE2-CD2 3.67Å; Y585-Y598 HydrophobicContact CE2-CD2 3.67Å; Y585-Y598 HydrophobicContact CE2-CE2 4.35Å; Y585-Y598 HydrophobicContact CE2-CG 4.27Å; Y585-Y598 AromaticContact CZ-CD2 3.5Å; Y585-Y598 VanDerWaalsContact CZ-CD2 3.5Å; Y585-Y598 WeakPolarHBondContact OH-CD2 3.29Å
586	L	98.9	Very high	97.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.1	170.6	-178.4	61.9	0	0	0	110.3	F485 Y486 A487 Y542 F570 V573 W575 I588	F485-L586 PolarHBondContact O-N 2.76Å; Y486-L586 WeakPolarHBondContact CA-O 3.44Å; A487-L586 PolarHBondContact N-O 3.45Å; Y542-L586 HydrophobicContact CD2-CD2 4.1Å; Y542-L586 HydrophobicContact CE2-CD2 3.57Å; F570-L586 HydrophobicContact CE1-CD1 4.44Å; F570-L586 HydrophobicContact CE1-CD2 4.41Å; V573-L586 HydrophobicContact CG1-CD1 3.55Å; W575-L586 HydrophobicContact CB-CD2 4.23Å; W575-L586 HydrophobicContact CD2-CB 3.79Å; W575-L586 HydrophobicContact CD2-CD2 3.65Å; W575-L586 HydrophobicContact CD2-CG 4.36Å; W575-L586 HydrophobicContact CE3-CB 4.45Å; W575-L586 HydrophobicContact CE3-CD2 3.52Å; W575-L586 HydrophobicContact CG-CB 3.8Å; W575-L586 HydrophobicContact CG-CD2 3.97Å; W575-L586 HydrophobicContact CG-CG 4.44Å; W575-L586 HydrophobicContact CZ2-CB 4.44Å; W575-L586 HydrophobicContact CZ3-CD2 4.12Å; L586-I588 HydrophobicContact CB-CG1 4.4Å; L586-I588 HydrophobicContact CD2-CD1 4.16Å; L586-I588 HydrophobicContact CD2-CG1 3.69Å; L586-I588 HydrophobicContact CG-CG1 3.71Å; L586-I588 PolarHBondContact O-N 2.75Å
587	H	98.7	Very high	97.9	Very high	19 Å²	19	55.1 Å²	55.1	9%	0.088	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.2	165.9	168.9	83	0	0	0	108.5	Y489 Y585 K591 P592 R593 K595	Y489-H587 WeakPolarHBondContact CB-CE1 3.19Å; Y489-H587 AromaticContact CD1-CE1 3.51Å; Y489-H587 AromaticContact CD1-ND1 3.9Å; Y489-H587 AromaticContact CD2-CE1 3.86Å; Y489-H587 AromaticContact CD2-ND1 3.42Å; Y489-H587 WeakPolarHBondContact CD2-ND1 3.44Å; Y489-H587 AromaticContact CG-CE1 3.27Å; Y489-H587 AromaticContact CG-ND1 3.36Å; Y585-H587 HydrophobicContact CE2-CB 4.32Å; H587-K591 PolarHBondContact CD2-O 3.19Å; H587-P592 WeakPolarHBondContact O-CA 3.41Å; H587-R593 WeakPolarHBondContact CB-O 3.38Å; H587-R593 PolarHBondContact N-O 3.47Å; H587-K595 HydrophobicContact CB-CD 4.48Å
588	I	98.7	Very high	97.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.3	-177.9	-59.5	178.5	0	0	0	109	Y486 A487 F488 Y489 L535 V539 W543 F570 L586	Y486-I588 HydrophobicContact CD2-CD1 4.01Å; Y486-I588 HydrophobicContact CG-CD1 3.87Å; A487-I588 PolarHBondContact O-N 3.2Å; F488-I588 HydrophobicContact CD2-CB 3.85Å; F488-I588 HydrophobicContact CD2-CD1 4.33Å; F488-I588 HydrophobicContact CD2-CG2 3.61Å; F488-I588 HydrophobicContact CE2-CB 4.3Å; F488-I588 HydrophobicContact CE2-CG2 3.52Å; Y489-I588 PolarHBondContact N-O 2.81Å; L535-I588 HydrophobicContact CD1-CG2 3.9Å; V539-I588 HydrophobicContact CG2-CG2 4.1Å; W543-I588 HydrophobicContact CH2-CD1 4.01Å; W543-I588 HydrophobicContact CZ3-CD1 3.96Å; F570-I588 HydrophobicContact CZ-CG2 4.33Å; L586-I588 HydrophobicContact CB-CG1 4.4Å; L586-I588 HydrophobicContact CD2-CD1 4.16Å; L586-I588 HydrophobicContact CD2-CG1 3.69Å; L586-I588 HydrophobicContact CG-CG1 3.71Å; L586-I588 PolarHBondContact O-N 2.75Å
589	G	97.4	Very high	97.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	168.6	-166.9	178	0	0	0	0	0	111.5	K591 P592	G589-K591 PolarHBondContact O-N 2.89Å; G589-P592 WeakPolarHBondContact O-CD 3.02Å
590	L	96.8	Very high	97.9	Very high	47 Å²	47	52.9 Å²	52.9	25%	0.246	25%	0.248	C	C	.	.	S	Bend	trans	-75.8	-1.9	-172.9	-56.4	-172.5	0	0	0	115.5	H490 N531 M534 R569	H490-L590 WeakPolarHBondContact ND1-CG 3.42Å; N531-L590 HydrophobicContact CB-CD1 4.21Å; N531-L590 HydrophobicContact CB-CD2 3.86Å; M534-L590 HydrophobicContact CE-CD2 4.15Å; R569-L590 VanDerWaalsContact CD-O 3.26Å; R569-L590 WeakPolarHBondContact CD-O 3.31Å; R569-L590 PolarHBondContact NH1-O 3.02Å
591	K	96.8	Very high	98	Very high	137 Å²	137	55.3 Å²	55.3	60%	0.596	26%	0.264	S	S	*	.	S	Bend	trans	-131.5	58.6	173.7	-65.5	178.3	-177.2	169.7	0	110.2	H587 G589 R593	H587-K591 PolarHBondContact CD2-O 3.19Å; G589-K591 PolarHBondContact O-N 2.89Å; K591-R593 PolarHBondContact O-NH1 3.43Å
592	P	96.4	Very high	98.1	Very high	20 Å²	20	49.9 Å²	49.9	13%	0.13	24%	0.24	C	C	.	.			trans	-68.2	148.5	-165.6	32.4	-37.4	0	0	0	112.2	R569 F570 V573 H587 G589	R569-P592 HydrophobicContact CB-CG 3.91Å; R569-P592 WeakPolarHBondContact O-CG 3.34Å; F570-P592 HydrophobicContact CD1-CB 3.53Å; F570-P592 HydrophobicContact CD1-CG 3.98Å; F570-P592 HydrophobicContact CD2-CB 4.11Å; F570-P592 HydrophobicContact CD2-CG 3.76Å; F570-P592 HydrophobicContact CE1-CB 3.25Å; F570-P592 HydrophobicContact CE1-CG 4.01Å; F570-P592 HydrophobicContact CE2-CB 3.83Å; F570-P592 HydrophobicContact CE2-CG 3.75Å; F570-P592 HydrophobicContact CG-CB 3.99Å; F570-P592 HydrophobicContact CG-CG 3.89Å; F570-P592 HydrophobicContact CZ-CB 3.42Å; F570-P592 VanDerWaalsContact CZ-CB 3.42Å; F570-P592 HydrophobicContact CZ-CG 3.91Å; V573-P592 HydrophobicContact CG2-CB 4.46Å; V573-P592 HydrophobicContact CG2-CG 4.3Å; H587-P592 WeakPolarHBondContact O-CA 3.41Å; G589-P592 WeakPolarHBondContact O-CD 3.02Å
593	R	97.8	Very high	98.1	Very high	107 Å²	107	47.4 Å²	47.4	40%	0.404	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	156.5	173.6	53.9	-166	-175	-73.7	5.3	109.9	H587 K591 K595	H587-R593 WeakPolarHBondContact CB-O 3.38Å; H587-R593 PolarHBondContact N-O 3.47Å; K591-R593 PolarHBondContact O-NH1 3.43Å; R593-K595 HydrophobicContact CG-CG 4.29Å; R593-K595 VanDerWaalsContact NH2-CE 3.3Å
594	V	98.4	Very high	98.1	Very high	47 Å²	47	50.6 Å²	50.6	29%	0.285	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.5	160.4	178.8	0	0	0	0	108.7	A574 L584 Y585	A574-V594 WeakPolarHBondContact O-CG2 3.43Å; L584-V594 HydrophobicContact CB-CG1 4.12Å; L584-V594 HydrophobicContact CD2-CG1 4.2Å; Y585-V594 CarbonylContact O-C 3.59Å; Y585-V594 WeakPolarHBondContact O-CA 3.25Å
595	K	98.4	Very high	98.1	Very high	30 Å²	30	48.8 Å²	48.8	13%	0.13	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	170.5	172.1	-80.5	-171.3	171.7	-168.1	0	109.2	L584 Y585 H587 R593 D771	L584-K595 CarbonylContact C-O 3.57Å; L584-K595 VanDerWaalsContact CA-O 3.31Å; L584-K595 WeakPolarHBondContact CA-O 3.3Å; Y585-K595 HydrophobicContact CD1-CB 4.04Å; Y585-K595 WeakPolarHBondContact CD1-O 3.33Å; Y585-K595 HydrophobicContact CE1-CB 3.39Å; Y585-K595 HydrophobicContact CE2-CB 3.95Å; Y585-K595 HydrophobicContact CE2-CD 4.24Å; Y585-K595 PolarHBondContact N-O 2.86Å; Y585-K595 PolarHBondContact O-N 2.97Å; Y585-K595 WeakPolarHBondContact OH-CB 3.42Å; Y585-K595 WeakPolarHBondContact OH-CD 3.43Å; H587-K595 HydrophobicContact CB-CD 4.48Å; R593-K595 HydrophobicContact CG-CG 4.29Å; R593-K595 VanDerWaalsContact NH2-CE 3.3Å; K595-D771 IonicContact NZ-OD1 3.37Å; K595-D771 PolarHBondContact NZ-OD1 3.46Å; K595-D771 IonicContact NZ-OD2 2.76Å; K595-D771 PolarHBondContact NZ-OD2 2.97Å
596	E	98.3	Very high	98	Very high	134 Å²	134	49 Å²	49	63%	0.626	24%	0.236	S	C	*	.	S	Bend	trans	-117	155.1	178.5	61	-165.2	-148.4	0	0	111	L584 Y585 Y598	L584-E596 HydrophobicContact CD2-CB 3.97Å; Y585-E596 WeakPolarHBondContact CE1-O 3.38Å; E596-Y598 PolarHBondContact O-N 2.9Å
597	H	98.4	Very high	97.9	Very high	81 Å²	81	52.2 Å²	52.2	38%	0.375	25%	0.254	S	S	.	.	S	Bend	trans	52.3	57.7	166.8	-59.8	-61.7	0	0	0	115.2	Q583 R599 A600	Q583-H597 PolarHBondContact O-N 3.11Å; Q583-H597 PolarHBondContact OE1-ND1 3.38Å; H597-R599 PolarHBondContact O-N 3.24Å; H597-A600 HydrophobicContact CB-CB 3.88Å; H597-A600 PolarHBondContact O-N 2.88Å
598	Y	98.6	Very high	97.8	Very high	9 Å²	9	57.6 Å²	57.6	4%	0.035	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	111.6	-177	-174.4	-122.6	0	0	0	112.5	V387 V466 F485 A487 Y489 Y585 E596 A600	V387-Y598 HydrophobicContact CG2-CD1 4.32Å; V387-Y598 HydrophobicContact CG2-CE1 3.56Å; V466-Y598 HydrophobicContact CG1-CD1 3.61Å; V466-Y598 HydrophobicContact CG1-CE1 3.58Å; V466-Y598 HydrophobicContact CG2-CE1 4.12Å; F485-Y598 AromaticContact CE1-CD1 3.97Å; F485-Y598 HydrophobicContact CE1-CD1 3.97Å; F485-Y598 HydrophobicContact CE1-CG 4.47Å; F485-Y598 HydrophobicContact CZ-CD1 4.39Å; A487-Y598 HydrophobicContact CB-CD2 4.06Å; A487-Y598 HydrophobicContact CB-CE1 4.18Å; A487-Y598 HydrophobicContact CB-CE2 3.64Å; A487-Y598 HydrophobicContact CB-CG 4.49Å; Y489-Y598 AromaticContact CE2-CE2 3.79Å; Y489-Y598 HydrophobicContact CE2-CE2 3.79Å; Y489-Y598 WeakPolarHBondContact OH-CE2 3.3Å; Y585-Y598 HydrophobicContact CD2-CD2 4.42Å; Y585-Y598 HydrophobicContact CE1-CD2 4.14Å; Y585-Y598 HydrophobicContact CE1-CG 4.31Å; Y585-Y598 AromaticContact CE2-CD2 3.67Å; Y585-Y598 HydrophobicContact CE2-CD2 3.67Å; Y585-Y598 HydrophobicContact CE2-CE2 4.35Å; Y585-Y598 HydrophobicContact CE2-CG 4.27Å; Y585-Y598 AromaticContact CZ-CD2 3.5Å; Y585-Y598 VanDerWaalsContact CZ-CD2 3.5Å; Y585-Y598 WeakPolarHBondContact OH-CD2 3.29Å; E596-Y598 PolarHBondContact O-N 2.9Å; Y598-A600 PolarHBondContact O-N 2.91Å
599	R	98.1	Very high	97.7	Very high	71 Å²	71	60.8 Å²	60.8	27%	0.268	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	28.4	177.3	-56.8	176.7	63.7	92.1	6.7	113.6	D462 H597 N601 K602 V603	D462-R599 VanDerWaalsContact CG-NH2 3.3Å; D462-R599 IonicContact OD1-CZ 2.81Å; D462-R599 VanDerWaalsContact OD1-CZ 3.3Å; D462-R599 IonicContact OD1-NE 3.71Å; D462-R599 PolarHBondContact OD1-NE 3.37Å; D462-R599 IonicContact OD1-NH2 3.39Å; D462-R599 PolarHBondContact OD1-NH2 2.91Å; D462-R599 VanDerWaalsContact OD1-NH2 3.13Å; D462-R599 IonicContact OD2-CZ 3.26Å; D462-R599 IonicContact OD2-NE 3.67Å; D462-R599 IonicContact OD2-NH2 3.26Å; D462-R599 PolarHBondContact OD2-NH2 3.33Å; H597-R599 PolarHBondContact O-N 3.24Å; R599-N601 VanDerWaalsContact C-N 3.28Å; R599-N601 PolarHBondContact O-N 3.38Å; R599-K602 WeakPolarHBondContact O-CA 3.03Å; R599-K602 WeakPolarHBondContact O-CB 3.39Å; R599-K602 PolarHBondContact O-N 3.4Å; R599-V603 PolarHBondContact O-N 2.73Å
600	A	97.8	Very high	97.6	Very high	30 Å²	30	60.8 Å²	60.8	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-54.2	-33.6	-164.8	0	0	0	0	0	115.5	H597 Y598 K602 V603 N604	H597-A600 HydrophobicContact CB-CB 3.88Å; H597-A600 PolarHBondContact O-N 2.88Å; Y598-A600 PolarHBondContact O-N 2.91Å; A600-K602 PolarHBondContact O-N 2.93Å; A600-V603 PolarHBondContact O-N 3.25Å; A600-N604 WeakPolarHBondContact O-CB 3.42Å; A600-N604 PolarHBondContact O-N 3.1Å
601	N	97.9	Very high	97.4	Very high	138 Å²	138	61.8 Å²	61.8	74%	0.738	31%	0.305	S	S	*	.	H	α-helix	trans	-60.2	-29.8	174.4	-66.4	-24.1	0	0	0	113.6	R599 L605	R599-N601 VanDerWaalsContact C-N 3.28Å; R599-N601 PolarHBondContact O-N 3.38Å; N601-L605 WeakPolarHBondContact O-CB 3.38Å; N601-L605 PolarHBondContact O-N 2.69Å
602	K	98.3	Very high	97.2	Very high	41 Å²	41	60.7 Å²	60.7	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-88.2	-37.2	178.5	-59.8	-60.2	-162.3	159	0	111.8	M439 Y440 D462 R599 A600 L605 W606	M439-K602 PolarHBondContact O-NZ 3.34Å; Y440-K602 HydrophobicContact CE1-CD 3.82Å; Y440-K602 HydrophobicContact CE2-CD 4.46Å; D462-K602 HydrophobicContact CB-CB 4.42Å; D462-K602 WeakPolarHBondContact OD2-CB 3.24Å; D462-K602 WeakPolarHBondContact OD2-CG 3.44Å; R599-K602 WeakPolarHBondContact O-CA 3.03Å; R599-K602 WeakPolarHBondContact O-CB 3.39Å; R599-K602 PolarHBondContact O-N 3.4Å; A600-K602 PolarHBondContact O-N 2.93Å; K602-L605 WeakPolarHBondContact O-CB 3.5Å; K602-L605 PolarHBondContact O-N 2.88Å; K602-W606 PolarHBondContact O-N 3.43Å
603	V	98.5	Very high	96.9	Very high	10 Å²	10	60.6 Å²	60.6	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-49.5	172.2	177.3	0	0	0	0	110.4	V466 A467 V470 R599 A600 L605 W606 L607	V466-V603 HydrophobicContact CG1-CG2 3.91Å; A467-V603 HydrophobicContact CB-CG1 4.47Å; V470-V603 HydrophobicContact CB-CG1 3.92Å; V470-V603 HydrophobicContact CB-CG2 4.43Å; V470-V603 HydrophobicContact CG1-CG1 3.79Å; V470-V603 HydrophobicContact CG2-CG2 4.17Å; R599-V603 PolarHBondContact O-N 2.73Å; A600-V603 PolarHBondContact O-N 3.25Å; V603-L605 VanDerWaalsContact C-N 3.32Å; V603-L605 PolarHBondContact O-N 2.81Å; V603-W606 PolarHBondContact O-N 3.44Å; V603-W606 VanDerWaalsContact O-N 3.08Å; V603-L607 HydrophobicContact CG1-CD1 3.55Å; V603-L607 HydrophobicContact CG1-CG 4.06Å; V603-L607 WeakPolarHBondContact O-CG 3.38Å; V603-L607 PolarHBondContact O-N 2.84Å
604	N	98.1	Very high	96.4	Very high	94 Å²	94	60 Å²	60	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-33.8	178.6	-174	-101.9	0	0	0	112.8	A600 E608 L609	A600-N604 WeakPolarHBondContact O-CB 3.42Å; A600-N604 PolarHBondContact O-N 3.1Å; N604-E608 WeakPolarHBondContact ND2-CG 3.28Å; N604-E608 WeakPolarHBondContact O-CB 3.39Å; N604-E608 PolarHBondContact O-N 3.48Å; N604-L609 PolarHBondContact O-N 3.41Å
605	L	98.2	Very high	95.8	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	31%	0.31	C	S	.	.	I	π-helix	trans	-56.5	-50.1	169.3	168.5	65.2	0	0	0	111.2	T435 I436 M439 Y440 N601 K602 V603 L609 V610	T435-L605 HydrophobicContact CG2-CD1 4.49Å; I436-L605 HydrophobicContact CD1-CD1 4.26Å; I436-L605 HydrophobicContact CD1-CD2 4.21Å; I436-L605 HydrophobicContact CD1-CG 4.37Å; M439-L605 HydrophobicContact CB-CD2 3.64Å; M439-L605 HydrophobicContact CE-CB 4.33Å; M439-L605 HydrophobicContact CE-CD1 4.32Å; M439-L605 HydrophobicContact CE-CD2 4.12Å; M439-L605 HydrophobicContact CG-CD1 4.04Å; M439-L605 HydrophobicContact CG-CD2 3.92Å; Y440-L605 HydrophobicContact CD2-CD2 4.46Å; Y440-L605 HydrophobicContact CE2-CD2 3.7Å; N601-L605 WeakPolarHBondContact O-CB 3.38Å; N601-L605 PolarHBondContact O-N 2.69Å; K602-L605 WeakPolarHBondContact O-CB 3.5Å; K602-L605 PolarHBondContact O-N 2.88Å; V603-L605 VanDerWaalsContact C-N 3.32Å; V603-L605 PolarHBondContact O-N 2.81Å; L605-L609 HydrophobicContact CD1-CB 4.34Å; L605-L609 HydrophobicContact CD1-CD2 3.89Å; L605-L609 HydrophobicContact CD1-CG 4.35Å; L605-L609 PolarHBondContact O-N 3.33Å; L605-V610 HydrophobicContact CD1-CG2 3.93Å; L605-V610 HydrophobicContact CG-CG2 4.24Å; L605-V610 WeakPolarHBondContact O-CB 3.22Å; L605-V610 VanDerWaalsContact O-CG2 3.25Å; L605-V610 WeakPolarHBondContact O-CG2 3.3Å; L605-V610 PolarHBondContact O-N 3.02Å
606	W	98.2	Very high	95	Very high	11 Å²	11	64.1 Å²	64.1	4%	0.042	32%	0.323	C	S	.	.	I	π-helix	trans	-76.4	-34.8	-176.5	-68.6	131.5	0	0	0	114.4	F418 Y423 I436 Y440 L459 H463 A467 K602 V603 V610 P611	F418-W606 HydrophobicContact CE1-CH2 4.04Å; F418-W606 HydrophobicContact CE1-CZ2 4.43Å; Y423-W606 HydrophobicContact CE2-CZ3 4.23Å; I436-W606 HydrophobicContact CD1-CE3 4.21Å; I436-W606 HydrophobicContact CD1-CH2 3.5Å; I436-W606 VanDerWaalsContact CD1-CH2 3.5Å; I436-W606 HydrophobicContact CD1-CZ2 4.26Å; I436-W606 HydrophobicContact CD1-CZ3 3.47Å; I436-W606 VanDerWaalsContact CD1-CZ3 3.47Å; I436-W606 HydrophobicContact CG1-CH2 3.91Å; I436-W606 HydrophobicContact CG1-CZ3 4.09Å; I436-W606 HydrophobicContact CG2-CH2 4.03Å; Y440-W606 AromaticContact CE2-CZ2 3.85Å; Y440-W606 HydrophobicContact CE2-CZ2 3.85Å; Y440-W606 AromaticContact CZ-NE1 3.97Å; Y440-W606 PolarHBondContact OH-NE1 2.66Å; L459-W606 HydrophobicContact CD2-CZ2 4.37Å; L459-W606 HydrophobicContact CG-CZ2 4.18Å; H463-W606 HydrophobicContact CB-CD2 4.29Å; H463-W606 HydrophobicContact CB-CZ2 3.97Å; H463-W606 AromaticContact CD2-CD2 3.75Å; H463-W606 AromaticContact CD2-CE3 3.57Å; H463-W606 AromaticContact CD2-CZ3 3.79Å; A467-W606 HydrophobicContact CB-CB 3.86Å; A467-W606 HydrophobicContact CB-CG 4.42Å; K602-W606 PolarHBondContact O-N 3.43Å; V603-W606 PolarHBondContact O-N 3.44Å; V603-W606 VanDerWaalsContact O-N 3.08Å; W606-V610 HydrophobicContact CE3-CB 4.12Å; W606-V610 HydrophobicContact CE3-CG1 4.09Å; W606-V610 HydrophobicContact CE3-CG2 3.69Å; W606-V610 HydrophobicContact CZ3-CG1 4.27Å; W606-V610 HydrophobicContact CZ3-CG2 3.96Å; W606-P611 VanDerWaalsContact O-CD 3.3Å; W606-P611 WeakPolarHBondContact O-CD 3.43Å
607	L	96.8	Very high	93.5	Very high	69 Å²	69	59.1 Å²	59.1	36%	0.361	30%	0.3	S	S	.	.	I	π-helix	trans	-88.6	-28.3	-176	-61.1	-174.6	0	0	0	114.2	A467 A471 V603	A467-L607 HydrophobicContact CB-CD2 4.11Å; A467-L607 HydrophobicContact CB-CG 4.26Å; A471-L607 HydrophobicContact CB-CD1 4.02Å; A471-L607 HydrophobicContact CB-CD2 4.17Å; V603-L607 HydrophobicContact CG1-CD1 3.55Å; V603-L607 HydrophobicContact CG1-CG 4.06Å; V603-L607 WeakPolarHBondContact O-CG 3.38Å; V603-L607 PolarHBondContact O-N 2.84Å
608	E	95.9	Very high	91.7	Very high	131 Å²	131	59.7 Å²	59.7	61%	0.612	31%	0.306	S	S	*	.	I	π-helix	trans	-114.2	-57.3	-176.8	-61.6	-76.1	172.1	0	0	112.3	N604 H612	N604-E608 WeakPolarHBondContact ND2-CG 3.28Å; N604-E608 WeakPolarHBondContact O-CB 3.39Å; N604-E608 PolarHBondContact O-N 3.48Å; E608-H612 PolarHBondContact O-N 2.87Å
609	L	96.6	Very high	89.5	Confident	67 Å²	67	63.6 Å²	63.6	35%	0.351	33%	0.327	S	S	.	.	I	π-helix	trans	-73.7	-41.5	-169.4	179.5	58.5	0	0	0	112.5	T435 N604 L605 H612 L613	T435-L609 HydrophobicContact CG2-CD2 4.37Å; N604-L609 PolarHBondContact O-N 3.41Å; L605-L609 HydrophobicContact CD1-CB 4.34Å; L605-L609 HydrophobicContact CD1-CD2 3.89Å; L605-L609 HydrophobicContact CD1-CG 4.35Å; L605-L609 PolarHBondContact O-N 3.33Å; L609-H612 WeakPolarHBondContact O-CB 3.32Å; L609-H612 PolarHBondContact O-N 3.41Å; L609-L613 HydrophobicContact CD1-CD1 4.14Å; L609-L613 HydrophobicContact CD1-CD2 4.45Å; L609-L613 HydrophobicContact CD1-CG 4Å; L609-L613 HydrophobicContact CG-CD1 3.97Å; L609-L613 HydrophobicContact CG-CG 4.26Å; L609-L613 WeakPolarHBondContact O-CG 3.44Å; L609-L613 PolarHBondContact O-N 2.68Å
610	V	95.2	Very high	87	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-67.1	-45.6	-177.6	164.9	0	0	0	0	112.9	Y423 L432 I436 L605 W606 H612 L613 H614	Y423-V610 HydrophobicContact CE1-CG1 3.73Å; Y423-V610 HydrophobicContact CE2-CG1 4.36Å; Y423-V610 VanDerWaalsContact OH-CG1 3.32Å; Y423-V610 WeakPolarHBondContact OH-CG1 3.13Å; L432-V610 HydrophobicContact CD1-CB 4.23Å; L432-V610 HydrophobicContact CD1-CG1 3.73Å; L432-V610 HydrophobicContact CD1-CG2 3.83Å; I436-V610 HydrophobicContact CD1-CG2 3.71Å; L605-V610 HydrophobicContact CD1-CG2 3.93Å; L605-V610 HydrophobicContact CG-CG2 4.24Å; L605-V610 WeakPolarHBondContact O-CB 3.22Å; L605-V610 VanDerWaalsContact O-CG2 3.25Å; L605-V610 WeakPolarHBondContact O-CG2 3.3Å; L605-V610 PolarHBondContact O-N 3.02Å; W606-V610 HydrophobicContact CE3-CB 4.12Å; W606-V610 HydrophobicContact CE3-CG1 4.09Å; W606-V610 HydrophobicContact CE3-CG2 3.69Å; W606-V610 HydrophobicContact CZ3-CG1 4.27Å; W606-V610 HydrophobicContact CZ3-CG2 3.96Å; V610-H612 VanDerWaalsContact C-N 3.27Å; V610-H612 PolarHBondContact O-N 2.92Å; V610-L613 PolarHBondContact O-N 3.14Å; V610-L613 VanDerWaalsContact O-N 3.14Å; V610-H614 WeakPolarHBondContact O-CB 3.49Å; V610-H614 PolarHBondContact O-N 3.03Å
611	P	92.8	Very high	84.5	Confident	68 Å²	68	67.3 Å²	67.3	44%	0.442	35%	0.35	S	S	.	.	H	α-helix	trans	-56.6	-39.4	171.4	-28.8	37.2	0	0	0	113	W606 N615	W606-P611 VanDerWaalsContact O-CD 3.3Å; W606-P611 WeakPolarHBondContact O-CD 3.43Å; P611-N615 PolarHBondContact O-N 3.45Å
612	H	92.2	Very high	81.9	Confident	114 Å²	114	70.7 Å²	70.7	53%	0.528	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-47.1	174	-178.4	72.4	0	0	0	112.2	E608 L609 V610 H614	E608-H612 PolarHBondContact O-N 2.87Å; L609-H612 WeakPolarHBondContact O-CB 3.32Å; L609-H612 PolarHBondContact O-N 3.41Å; V610-H612 VanDerWaalsContact C-N 3.27Å; V610-H612 PolarHBondContact O-N 2.92Å; H612-H614 PolarHBondContact O-N 3.33Å
613	L	90.6	Very high	78.9	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.089	38%	0.378	C	S	.	.	H	α-helix	trans	-66.9	-33.3	-180	-70.8	179.2	0	0	0	113.5	V431 L432 T435 L609 V610 L616	V431-L613 HydrophobicContact CG1-CD2 3.85Å; L432-L613 HydrophobicContact CD1-CB 4.49Å; T435-L613 HydrophobicContact CG2-CD1 3.8Å; L609-L613 HydrophobicContact CD1-CD1 4.14Å; L609-L613 HydrophobicContact CD1-CD2 4.45Å; L609-L613 HydrophobicContact CD1-CG 4Å; L609-L613 HydrophobicContact CG-CD1 3.97Å; L609-L613 HydrophobicContact CG-CG 4.26Å; L609-L613 WeakPolarHBondContact O-CG 3.44Å; L609-L613 PolarHBondContact O-N 2.68Å; V610-L613 PolarHBondContact O-N 3.14Å; V610-L613 VanDerWaalsContact O-N 3.14Å; L613-L616 HydrophobicContact CD2-CD1 3.85Å; L613-L616 PolarHBondContact O-N 2.82Å
614	H	86.8	Confident	76.2	Confident	96 Å²	96	78.6 Å²	78.6	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-49.7	178.5	-171.8	-152.5	0	0	0	110.9	Y423 V610 H612 L616 N617	Y423-H614 AromaticContact CD1-ND1 3.93Å; Y423-H614 PolarHBondContact O-NE2 2.82Å; V610-H614 WeakPolarHBondContact O-CB 3.49Å; V610-H614 PolarHBondContact O-N 3.03Å; H612-H614 PolarHBondContact O-N 3.33Å; H614-L616 PolarHBondContact O-N 3.17Å; H614-N617 PolarHBondContact O-N 3.5Å
615	N	85.8	Confident	73.2	Confident	85 Å²	85	79.9 Å²	79.9	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-20.9	179.6	-168.1	5.2	0	0	0	114	P611 N617 D618 I619	P611-N615 PolarHBondContact O-N 3.45Å; N615-N617 PolarHBondContact O-N 3.33Å; N615-D618 PolarHBondContact O-N 3.36Å; N615-I619 WeakPolarHBondContact O-CG1 3.36Å; N615-I619 PolarHBondContact O-N 2.88Å
616	L	81.8	Confident	70.2	Confident	77 Å²	77	86.2 Å²	86.2	40%	0.403	46%	0.46	S	S	.	.	H	α-helix	trans	-61.2	-24.8	176.7	-66.4	-179.9	0	0	0	113.5	L613 H614	L613-L616 HydrophobicContact CD2-CD1 3.85Å; L613-L616 PolarHBondContact O-N 2.82Å; H614-L616 PolarHBondContact O-N 3.17Å
617	N	67.9	Low	67.2	Low	30 Å²	30	91.6 Å²	91.6	16%	0.16	49%	0.494	C	S	.	.	H	α-helix	trans	-77	-44.8	176.9	-73.9	-50.2	0	0	0	111.9	K429 H614 N615 I619 S620	K429-N617 PolarHBondContact O-OD1 3.3Å; H614-N617 PolarHBondContact O-N 3.5Å; N615-N617 PolarHBondContact O-N 3.33Å; N617-I619 PolarHBondContact O-N 3.46Å; N617-S620 VanDerWaalsContact O-CB 3.31Å; N617-S620 WeakPolarHBondContact O-CB 3.31Å; N617-S620 PolarHBondContact O-N 3.26Å; N617-S620 PolarHBondContact O-OG 3.22Å
618	D	59	Low	64.2	Low	92 Å²	92	97.8 Å²	97.8	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-41.6	179.7	-66.7	-36.1	0	0	0	112.4	N615 S620 Q621	N615-D618 PolarHBondContact O-N 3.36Å; D618-S620 PolarHBondContact O-N 3.18Å; D618-S620 VanDerWaalsContact O-N 3.08Å; D618-Q621 WeakPolarHBondContact O-CB 3.48Å; D618-Q621 PolarHBondContact O-N 3.46Å
619	I	52.6	Low	61.1	Low	91 Å²	91	97.7 Å²	97.7	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-58.2	-26.5	178	-66.9	167	0	0	0	111.8	N615 N617 Q621 Y622	N615-I619 WeakPolarHBondContact O-CG1 3.36Å; N615-I619 PolarHBondContact O-N 2.88Å; N617-I619 PolarHBondContact O-N 3.46Å; I619-Q621 VanDerWaalsContact C-N 3.27Å; I619-Q621 PolarHBondContact O-N 3.18Å; I619-Y622 PolarHBondContact O-N 2.65Å
620	S	46.7	Very low	58.1	Low	69 Å²	69	99.9 Å²	99.9	48%	0.483	55%	0.545	S	S	.	.	H	α-helix	trans	-64.9	-28.7	178.7	80.3	0	0	0	0	113.4	N617 D618 Y622	N617-S620 VanDerWaalsContact O-CB 3.31Å; N617-S620 WeakPolarHBondContact O-CB 3.31Å; N617-S620 PolarHBondContact O-N 3.26Å; N617-S620 PolarHBondContact O-OG 3.22Å; D618-S620 PolarHBondContact O-N 3.18Å; D618-S620 VanDerWaalsContact O-N 3.08Å; S620-Y622 PolarHBondContact O-N 3.05Å
621	Q	45.2	Very low	55	Low	111 Å²	111	105.7 Å²	105.7	52%	0.519	59%	0.586	S	S	.	*	H	α-helix	trans	-68.2	-33.3	-180	-63	-171.8	-5.5	0	0	112.5	E427 D618 I619 T623	E427-Q621 PolarHBondContact OE2-NE2 2.87Å; D618-Q621 WeakPolarHBondContact O-CB 3.48Å; D618-Q621 PolarHBondContact O-N 3.46Å; I619-Q621 VanDerWaalsContact C-N 3.27Å; I619-Q621 PolarHBondContact O-N 3.18Å; Q621-T623 VanDerWaalsContact C-N 3.29Å; Q621-T623 PolarHBondContact O-N 3.47Å
622	Y	42.4	Very low	52	Low	209 Å²	209	109.1 Å²	109.1	82%	0.82	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-10.6	-175.6	-85.3	-82.1	0	0	0	115.2	I619 S620	I619-Y622 PolarHBondContact O-N 2.65Å; S620-Y622 PolarHBondContact O-N 3.05Å
623	T	36.5	Very low	49	Very low	112 Å²	112	111.2 Å²	111.2	69%	0.687	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	10.2	-172.4	-45.2	0	0	0	0	113.4	Q621	Q621-T623 VanDerWaalsContact C-N 3.29Å; Q621-T623 PolarHBondContact O-N 3.47Å
624	S	40.6	Very low	46.2	Very low	105 Å²	105	117.7 Å²	117.7	73%	0.734	65%	0.653	S	S	*	*			trans	-115.3	38.9	-175.8	-70.8	0	0	0	0	115.9
625	T	35.8	Very low	43.4	Very low	121 Å²	121	118.6 Å²	118.6	74%	0.742	67%	0.666	S	S	*	*			trans	-132.1	71.7	169.5	18.9	0	0	0	0	112.4	T627	T625-T627 PolarHBondContact O-N 3.08Å
626	T	35.5	Very low	40.6	Very low	135 Å²	135	124.6 Å²	124.6	83%	0.828	69%	0.689	S	S	*	*			trans	-71.4	96.2	171.1	59.3	0	0	0	0	110.6	K628	T626-K628 PolarHBondContact O-N 3.37Å
627	T	34.6	Very low	37.7	Very low	124 Å²	124	132 Å²	132	76%	0.761	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-55.3	117.9	-178.7	-53.8	0	0	0	0	112.5	T625 V629	T625-T627 PolarHBondContact O-N 3.08Å; T627-V629 PolarHBondContact O-N 2.85Å
628	K	33.8	Very low	36.3	Very low	198 Å²	198	135.4 Å²	135.4	86%	0.861	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-73.7	116.1	165	-80.3	-174.8	175.6	178.8	0	109.5	T626 P630	T626-K628 PolarHBondContact O-N 3.37Å; K628-P630 WeakPolarHBondContact O-CD 3.46Å
629	V	31.5	Very low	34.8	Very low	130 Å²	130	137.9 Å²	137.9	79%	0.788	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-69.1	126.7	177.7	180	0	0	0	0	110.5	T627	T627-V629 PolarHBondContact O-N 2.85Å
630	P	32.9	Very low	33.5	Very low	112 Å²	112	144.6 Å²	144.6	73%	0.727	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-81.5	137.6	165	-5.3	23.8	0	0	0	110.4	K628	K628-P630 WeakPolarHBondContact O-CD 3.46Å
631	S	29.2	Very low	32.6	Very low	124 Å²	124	149.8 Å²	149.8	87%	0.867	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.9	138.3	175.6	-52.4	0	0	0	0	112.1
632	T	29.9	Very low	31.7	Very low	140 Å²	140	151 Å²	151	86%	0.859	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.3	135.7	166.7	48	0	0	0	0	111.1
633	D	30.2	Very low	30.9	Very low	158 Å²	158	146 Å²	146	85%	0.845	79%	0.793	S	S	*	*			trans	-145.3	165.4	156.1	-142.2	-27.7	0	0	0	111.6
634	I	31	Very low	30.5	Very low	152 Å²	152	147 Å²	147	78%	0.779	80%	0.798	S	S	*	*			trans	-91	150.5	-150.7	-65.2	172.9	0	0	0	113.5
635	T	28.3	Very low	31.1	Very low	116 Å²	116	147.4 Å²	147.4	71%	0.712	80%	0.798	S	S	*	*			trans	-51.1	137.4	179.5	49.3	0	0	0	0	115.2
636	F	26.7	Very low	30.7	Very low	211 Å²	211	147.3 Å²	147.3	93%	0.925	80%	0.797	S	S	*	*				-156.5	149.9	126.4	-111.7	-75.9	0	0	0	112.8
637	R	21.9	Very low	30.3	Very low	231 Å²	231	147 Å²	147	87%	0.872	80%	0.795	S	S	*	*			trans	-102.2	173.2	170.7	-94.9	-175.9	176.6	-178.4	0.9	109.2
638	P	38.7	Very low	30	Very low	102 Å²	102	146.3 Å²	146.3	66%	0.662	80%	0.796	S	S	*	*			cis	-136	179.1	-33.4	38.4	-22.7	0	0	0	112.6
639	T	27.1	Very low	29.7	Very low	145 Å²	145	141 Å²	141	89%	0.89	79%	0.789	S	S	*	*				179.6	164.4	124.3	25.6	0	0	0	0	115
640	R	25.6	Very low	29.6	Very low	232 Å²	232	144.3 Å²	144.3	88%	0.875	79%	0.793	S	S	*	*			trans	-84.7	148.1	-178.2	-55.2	158.5	150.6	162.6	-10.1	112.8
641	K	27.9	Very low	30.1	Very low	178 Å²	178	144 Å²	144	77%	0.774	79%	0.791	S	S	*	*				150.4	130.3	107	-103.5	177.8	171	-177.7	0	115.2
642	N	26	Very low	30.2	Very low	136 Å²	136	144.1 Å²	144.1	73%	0.727	79%	0.787	S	S	*	*			trans	54.3	135.9	138.3	-62.5	21.6	0	0	0	124.1
643	S	26.1	Very low	30.3	Very low	105 Å²	105	141 Å²	141	73%	0.734	78%	0.776	S	S	*	*			trans	61.5	122.4	147.5	47.4	0	0	0	0	120.2
644	V	28.2	Very low	30.3	Very low	132 Å²	132	142 Å²	142	80%	0.8	77%	0.772	S	S	*	*			cis	79.7	129.2	44.5	174	0	0	0	0	112.9
645	P	51.6	Low	30.3	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	76%	0.763	S	S	*	*			cis	-140.6	-131.8	-27.9	39.8	-17.3	0	0	0	112
646	V	28.3	Very low	30.4	Very low	119 Å²	119	141.7 Å²	141.7	72%	0.721	76%	0.764	S	S	*	*			trans	92.3	106.7	160.3	175.7	0	0	0	0	119.8
647	T	27.9	Very low	30.5	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	76%	0.755	S	S	*	*			trans	48.3	152.2	147.9	61.8	0	0	0	0	121.1
648	S	27.4	Very low	31.7	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	74%	0.742	S	S	*	*			cis	-167	-161.3	-6.5	46.3	0	0	0	0	106.7
649	A	27.8	Very low	31.3	Very low	88 Å²	88	136 Å²	136	73%	0.727	75%	0.75	S	S	*	*			cis	-158.9	-175.6	9.6	0	0	0	0	0	112.7
650	F	28.3	Very low	31.5	Very low	199 Å²	199	138.6 Å²	138.6	87%	0.873	75%	0.752	S	S	*	*			trans	-72.1	168.6	162.5	-80	-77.3	0	0	0	111.7
651	P	44.9	Very low	31.7	Very low	105 Å²	105	136.3 Å²	136.3	68%	0.682	75%	0.752	S	S	*	*			cis	-151.7	173.3	33.4	46.7	-26.3	0	0	0	120.4
652	T	30.9	Very low	32.1	Very low	127 Å²	127	134.1 Å²	134.1	78%	0.779	76%	0.755	S	S	*	*			trans	31.7	154.9	141.6	59.5	0	0	0	0	124
653	A	31.9	Very low	32.2	Very low	75 Å²	75	132.4 Å²	132.4	62%	0.62	75%	0.754	S	S	*	*			cis	175.7	169.9	-19.9	0	0	0	0	0	110.2
654	K	29.8	Very low	33	Very low	177 Å²	177	133.6 Å²	133.6	77%	0.77	76%	0.759	S	S	*	*			trans	70.2	155.7	159.2	-65.4	164.1	163.2	-93.7	0	117
655	Q	30.9	Very low	33.1	Very low	126 Å²	126	137 Å²	137	59%	0.589	76%	0.764	S	S	*	*			cis	-161.4	156.7	-11.8	-116.1	173.3	-99.9	0	0	111.4
656	D	30.7	Very low	32.3	Very low	137 Å²	137	137.1 Å²	137.1	73%	0.733	77%	0.767	S	S	*	*			trans	54.8	143.1	146.8	-50.5	-16.4	0	0	0	122.2
657	D	28.4	Very low	32.7	Very low	139 Å²	139	137.7 Å²	137.7	74%	0.743	77%	0.771	S	S	*	*			cis	-156.3	-74.9	-9.1	161.4	31.4	0	0	0	114.5
658	P	46.5	Very low	33.1	Very low	90 Å²	90	139.1 Å²	139.1	58%	0.584	77%	0.773	S	S	*	*			trans	-114	139.9	-130.1	20.7	-4.7	0	0	0	120.7
659	K	32	Very low	34	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	78%	0.776	S	S	*	*			trans	52.3	121.7	137.7	-60.8	174.7	-177.9	171.2	0	121.9
660	Q	30	Very low	35.1	Very low	200 Å²	200	148.3 Å²	148.3	94%	0.935	78%	0.78	S	S	*	*				-161.5	170.8	125.2	-112.6	170.7	20.1	0	0	113.2
661	Q	30.2	Very low	36.1	Very low	184 Å²	184	145.7 Å²	145.7	86%	0.86	78%	0.775	S	S	*	*			trans	-88.5	156.5	-171.3	-70.2	168.9	-82.9	0	0	113.6
662	P	35.4	Very low	36.5	Very low	131 Å²	131	150.3 Å²	150.3	85%	0.851	78%	0.78	S	S	*	*			trans	-84.2	151.1	177.3	34.5	-35.4	0	0	0	113.6
663	S	29.5	Very low	37.8	Very low	101 Å²	101	148.5 Å²	148.5	71%	0.706	77%	0.773	S	S	*	*			trans	-125.5	152	161.6	55.1	0	0	0	0	109.5
664	P	42.9	Very low	39.2	Very low	129 Å²	129	149.7 Å²	149.7	84%	0.838	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-80.6	140.2	-164.5	30.9	-35.3	0	0	0	113.3
665	F	30.7	Very low	40.8	Very low	205 Å²	205	148.1 Å²	148.1	90%	0.899	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-84.7	143.6	167.1	-90.5	-94.7	0	0	0	111.5
666	S	33	Very low	42.6	Very low	114 Å²	114	147.3 Å²	147.3	80%	0.797	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-76.4	139.4	-177.4	48.5	0	0	0	0	113
667	V	36.9	Very low	44.3	Very low	131 Å²	131	144.1 Å²	144.1	79%	0.794	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-81.2	129.9	168.3	177.4	0	0	0	0	109.4
668	D	37.7	Very low	46.9	Very low	158 Å²	158	142 Å²	142	85%	0.845	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-81.2	120.7	170.4	-136.2	-26.4	0	0	0	109.1
669	Q	45.5	Very low	48.6	Very low	177 Å²	177	142.3 Å²	142.3	83%	0.827	75%	0.748	S	S	*	*			trans	-132.6	80.4	-171.8	-167.9	-175.2	11.7	0	0	111.6
670	R	50	Low	51.2	Low	215 Å²	215	138.3 Å²	138.3	81%	0.811	73%	0.734	S	S	*	*			trans	-135.2	168	165.6	-65.6	-168.8	176.3	172.3	2.1	110.7	Y672	R670-Y672 PolarHBondContact O-N 3.34Å
671	D	51.1	Low	53.7	Low	143 Å²	143	131.3 Å²	131.3	77%	0.765	71%	0.711	S	S	*	*	S	Bend	trans	74.1	5.9	169.7	-52.3	-11.2	0	0	0	119.6
672	Y	51.9	Low	56.6	Low	203 Å²	203	126.4 Å²	126.4	80%	0.796	69%	0.693	S	S	*	*	S	Bend	trans	-102.4	-9.8	164.9	-88.9	-84	0	0	0	115.3	R670	R670-Y672 PolarHBondContact O-N 3.34Å
673	S	59.3	Low	59.2	Low	89 Å²	89	122 Å²	122	62%	0.622	67%	0.672	S	S	*	*	H	α-helix	trans	-79.7	-29.8	-168.6	-164.9	0	0	0	0	114.2	S677	S673-S677 WeakPolarHBondContact O-CB 3.37Å; S673-S677 PolarHBondContact O-N 2.84Å; S673-S677 PolarHBondContact O-OG 3.01Å
674	T	61.5	Low	62	Low	99 Å²	99	119.9 Å²	119.9	61%	0.607	66%	0.66	S	S	*	*	H	α-helix	trans	-74.1	-50.8	-175.1	37.9	0	0	0	0	112.8	L676 S677 V678	T674-L676 PolarHBondContact O-N 3.29Å; T674-S677 WeakPolarHBondContact O-CB 3.44Å; T674-S677 PolarHBondContact O-N 3.47Å; T674-V678 WeakPolarHBondContact O-CG2 3.46Å; T674-V678 PolarHBondContact O-N 3.28Å
675	E	62.7	Low	64.1	Low	144 Å²	144	117 Å²	117	67%	0.673	64%	0.643	S	S	*	*	H	α-helix	trans	-66.5	-39.6	-176.4	-58.3	-169.9	157.1	0	0	112.1	V678 T679	E675-V678 PolarHBondContact O-N 3.47Å; E675-T679 WeakPolarHBondContact O-CB 3.44Å; E675-T679 PolarHBondContact O-N 3.22Å; E675-T679 PolarHBondContact O-OG1 3.44Å
676	L	68.4	Low	66.9	Low	110 Å²	110	112 Å²	112	58%	0.576	63%	0.625	S	S	*	*	H	α-helix	trans	-62.6	-42.7	173.8	-172.4	65.9	0	0	0	111.2	T674 T679 I680	T674-L676 PolarHBondContact O-N 3.29Å; L676-T679 PolarHBondContact O-N 3.36Å; L676-I680 HydrophobicContact CD1-CD1 4.35Å; L676-I680 HydrophobicContact CG-CD1 3.97Å; L676-I680 VanDerWaalsContact O-CG1 3.29Å; L676-I680 WeakPolarHBondContact O-CG1 3.3Å; L676-I680 PolarHBondContact O-N 2.91Å
677	S	67.7	Low	69.7	Low	69 Å²	69	111.9 Å²	111.9	48%	0.483	62%	0.615	S	S	.	*	H	α-helix	trans	-63.5	-41.4	177.4	-63.5	0	0	0	0	112.7	S673 T674 A681	S673-S677 WeakPolarHBondContact O-CB 3.37Å; S673-S677 PolarHBondContact O-N 2.84Å; S673-S677 PolarHBondContact O-OG 3.01Å; T674-S677 WeakPolarHBondContact O-CB 3.44Å; T674-S677 PolarHBondContact O-N 3.47Å; S677-A681 WeakPolarHBondContact O-CB 3.42Å; S677-A681 PolarHBondContact O-N 2.98Å
678	V	80.9	Confident	72.2	Confident	95 Å²	95	111.9 Å²	111.9	58%	0.576	61%	0.605	S	S	*	*	H	α-helix	trans	-64.3	-44.4	175.1	172.2	0	0	0	0	110.8	T674 E675 I680 A681 V682	T674-V678 WeakPolarHBondContact O-CG2 3.46Å; T674-V678 PolarHBondContact O-N 3.28Å; E675-V678 PolarHBondContact O-N 3.47Å; V678-I680 PolarHBondContact O-N 3.33Å; V678-A681 PolarHBondContact O-N 3.24Å; V678-V682 HydrophobicContact CG1-CG2 4.48Å; V678-V682 WeakPolarHBondContact O-CG2 3.31Å; V678-V682 PolarHBondContact O-N 3.12Å
679	T	82.5	Confident	74.8	Confident	97 Å²	97	109.6 Å²	109.6	60%	0.595	59%	0.592	S	S	*	*	H	α-helix	trans	-61.4	-44.4	179.2	-55.8	0	0	0	0	111.6	E675 L676 V682 G683	E675-T679 WeakPolarHBondContact O-CB 3.44Å; E675-T679 PolarHBondContact O-N 3.22Å; E675-T679 PolarHBondContact O-OG1 3.44Å; L676-T679 PolarHBondContact O-N 3.36Å; T679-V682 PolarHBondContact O-N 3.4Å; T679-G683 PolarHBondContact O-N 3.21Å
680	I	86.9	Confident	76.6	Confident	110 Å²	110	105.7 Å²	105.7	56%	0.564	58%	0.577	S	S	*	*	H	α-helix	trans	-63.6	-43.2	175.6	-69.1	167.1	0	0	0	111.1	L676 V678 V682 G683 A684	L676-I680 HydrophobicContact CD1-CD1 4.35Å; L676-I680 HydrophobicContact CG-CD1 3.97Å; L676-I680 VanDerWaalsContact O-CG1 3.29Å; L676-I680 WeakPolarHBondContact O-CG1 3.3Å; L676-I680 PolarHBondContact O-N 2.91Å; V678-I680 PolarHBondContact O-N 3.33Å; I680-V682 PolarHBondContact O-N 3.25Å; I680-G683 PolarHBondContact O-N 3.49Å; I680-A684 WeakPolarHBondContact O-CB 3.32Å; I680-A684 PolarHBondContact O-N 3.21Å
681	A	83.9	Confident	78.5	Confident	53 Å²	53	100.1 Å²	100.1	44%	0.438	56%	0.562	S	S	.	*	H	α-helix	trans	-63.7	-40.9	179.2	0	0	0	0	0	112.8	S677 V678 S685	S677-A681 WeakPolarHBondContact O-CB 3.42Å; S677-A681 PolarHBondContact O-N 2.98Å; V678-A681 PolarHBondContact O-N 3.24Å; A681-S685 WeakPolarHBondContact O-CB 3.45Å; A681-S685 PolarHBondContact O-N 3.29Å; A681-S685 PolarHBondContact O-OG 2.91Å
682	V	90.9	Very high	80.4	Confident	81 Å²	81	97.6 Å²	97.6	49%	0.491	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-46.2	175	173.2	0	0	0	0	110.9	V678 T679 I680 A684 S685 L686	V678-V682 HydrophobicContact CG1-CG2 4.48Å; V678-V682 WeakPolarHBondContact O-CG2 3.31Å; V678-V682 PolarHBondContact O-N 3.12Å; T679-V682 PolarHBondContact O-N 3.4Å; I680-V682 PolarHBondContact O-N 3.25Å; V682-A684 PolarHBondContact O-N 3.01Å; V682-S685 PolarHBondContact O-N 2.99Å; V682-L686 HydrophobicContact CG1-CD1 4.05Å; V682-L686 WeakPolarHBondContact O-CG 3.34Å; V682-L686 PolarHBondContact O-N 3.19Å
683	G	89	Confident	82.1	Confident	39 Å²	39	90.2 Å²	90.2	40%	0.402	53%	0.529	S	S	.	.	H	α-helix	trans	-59.2	-45.9	177.5	0	0	0	0	0	113.1	T679 I680 S685 L686 L687	T679-G683 PolarHBondContact O-N 3.21Å; I680-G683 PolarHBondContact O-N 3.49Å; G683-S685 VanDerWaalsContact C-N 3.34Å; G683-S685 PolarHBondContact O-N 3.42Å; G683-L686 PolarHBondContact O-N 3.44Å; G683-L687 WeakPolarHBondContact O-CB 3.24Å; G683-L687 PolarHBondContact O-N 3.5Å
684	A	87.6	Confident	83.4	Confident	56 Å²	56	93 Å²	93	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-63.4	-37.8	175.9	0	0	0	0	0	112.5	I680 V682 L687 F688	I680-A684 WeakPolarHBondContact O-CB 3.32Å; I680-A684 PolarHBondContact O-N 3.21Å; V682-A684 PolarHBondContact O-N 3.01Å; A684-L687 PolarHBondContact O-N 3.26Å; A684-F688 WeakPolarHBondContact O-CB 3.33Å; A684-F688 PolarHBondContact O-N 3.45Å
685	S	88.4	Confident	84.7	Confident	69 Å²	69	91 Å²	91	48%	0.483	52%	0.523	S	S	.	.	H	α-helix	trans	-66.2	-41.5	177.6	-59.9	0	0	0	0	112.3	A681 V682 G683 F688 L689	A681-S685 WeakPolarHBondContact O-CB 3.45Å; A681-S685 PolarHBondContact O-N 3.29Å; A681-S685 PolarHBondContact O-OG 2.91Å; V682-S685 PolarHBondContact O-N 2.99Å; G683-S685 VanDerWaalsContact C-N 3.34Å; G683-S685 PolarHBondContact O-N 3.42Å; S685-F688 PolarHBondContact O-N 2.85Å; S685-L689 PolarHBondContact O-N 3.1Å
686	L	90	Very high	85.8	Confident	99 Å²	99	87 Å²	87	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-67.5	-40.2	175.5	-69.9	171.3	0	0	0	112	V682 G683 F688 L689 N690	V682-L686 HydrophobicContact CG1-CD1 4.05Å; V682-L686 WeakPolarHBondContact O-CG 3.34Å; V682-L686 PolarHBondContact O-N 3.19Å; G683-L686 PolarHBondContact O-N 3.44Å; L686-F688 VanDerWaalsContact C-N 3.34Å; L686-F688 PolarHBondContact O-N 2.91Å; L686-L689 PolarHBondContact O-N 2.92Å; L686-N690 PolarHBondContact O-N 3.37Å
687	L	90.6	Very high	86.6	Confident	112 Å²	112	86.9 Å²	86.9	59%	0.586	52%	0.515	S	S	*	.	H	α-helix	trans	-59.1	-45.8	173.9	-173.4	71.8	0	0	0	111.3	G683 A684 N690 I691	G683-L687 WeakPolarHBondContact O-CB 3.24Å; G683-L687 PolarHBondContact O-N 3.5Å; A684-L687 PolarHBondContact O-N 3.26Å; L687-N690 PolarHBondContact O-N 2.97Å; L687-I691 HydrophobicContact CG-CD1 4.12Å; L687-I691 WeakPolarHBondContact O-CG1 3.29Å; L687-I691 PolarHBondContact O-N 3.4Å
688	F	90.5	Very high	87.4	Confident	131 Å²	131	91.5 Å²	91.5	58%	0.575	52%	0.523	S	S	*	.	H	α-helix	trans	-66.2	-40.6	179.5	-164.1	-104.6	0	0	0	112.5	A684 S685 L686 I691 L692	A684-F688 WeakPolarHBondContact O-CB 3.33Å; A684-F688 PolarHBondContact O-N 3.45Å; S685-F688 PolarHBondContact O-N 2.85Å; L686-F688 VanDerWaalsContact C-N 3.34Å; L686-F688 PolarHBondContact O-N 2.91Å; F688-I691 PolarHBondContact O-N 3.42Å; F688-L692 HydrophobicContact CD1-CD1 3.86Å; F688-L692 HydrophobicContact CD1-CG 4.36Å; F688-L692 HydrophobicContact CE1-CD1 3.69Å; F688-L692 HydrophobicContact CE1-CG 4.2Å; F688-L692 WeakPolarHBondContact O-CG 3.39Å; F688-L692 PolarHBondContact O-N 2.9Å
689	L	90.8	Very high	87.5	Confident	110 Å²	110	95.1 Å²	95.1	58%	0.576	53%	0.527	S	S	*	.	H	α-helix	trans	-60.7	-43.3	172.9	-86.3	166.9	0	0	0	112.4	S685 L686 L692 A693	S685-L689 PolarHBondContact O-N 3.1Å; L686-L689 PolarHBondContact O-N 2.92Å; L689-L692 PolarHBondContact O-N 3.36Å; L689-A693 WeakPolarHBondContact O-CB 3.48Å; L689-A693 PolarHBondContact O-N 3.45Å
690	N	83.1	Confident	87.3	Confident	95 Å²	95	97 Å²	97	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176	-78.2	-24.9	0	0	0	111.9	L686 L687 L692 A693 F694	L686-N690 PolarHBondContact O-N 3.37Å; L687-N690 PolarHBondContact O-N 2.97Å; N690-L692 VanDerWaalsContact C-N 3.34Å; N690-L692 PolarHBondContact O-N 2.83Å; N690-A693 PolarHBondContact O-N 3.35Å; N690-F694 VanDerWaalsContact O-CD2 3.24Å; N690-F694 WeakPolarHBondContact O-CD2 3.41Å; N690-F694 PolarHBondContact O-N 2.9Å
691	I	91.4	Very high	86.8	Confident	98 Å²	98	98.2 Å²	98.2	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-44.1	175.5	-69.8	165.4	0	0	0	111	L687 F688 F694 A695	L687-I691 HydrophobicContact CG-CD1 4.12Å; L687-I691 WeakPolarHBondContact O-CG1 3.29Å; L687-I691 PolarHBondContact O-N 3.4Å; F688-I691 PolarHBondContact O-N 3.42Å; I691-F694 PolarHBondContact O-N 3.34Å; I691-A695 WeakPolarHBondContact O-CB 3.23Å; I691-A695 PolarHBondContact O-N 3.22Å
692	L	90.3	Very high	86.5	Confident	91 Å²	91	98.5 Å²	98.5	48%	0.476	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-39.8	175.7	-71.3	175.9	0	0	0	112.6	F688 L689 N690 A695 A696	F688-L692 HydrophobicContact CD1-CD1 3.86Å; F688-L692 HydrophobicContact CD1-CG 4.36Å; F688-L692 HydrophobicContact CE1-CD1 3.69Å; F688-L692 HydrophobicContact CE1-CG 4.2Å; F688-L692 WeakPolarHBondContact O-CG 3.39Å; F688-L692 PolarHBondContact O-N 2.9Å; L689-L692 PolarHBondContact O-N 3.36Å; N690-L692 VanDerWaalsContact C-N 3.34Å; N690-L692 PolarHBondContact O-N 2.83Å; L692-A695 PolarHBondContact O-N 3.44Å; L692-A696 WeakPolarHBondContact O-CB 3.34Å; L692-A696 PolarHBondContact O-N 3.33Å
693	A	88.3	Confident	85.6	Confident	48 Å²	48	100.8 Å²	100.8	40%	0.397	53%	0.526	S	S	.	.	H	α-helix	trans	-63.9	-45.7	176.3	0	0	0	0	0	111.8	L689 N690 A696 L697	L689-A693 WeakPolarHBondContact O-CB 3.48Å; L689-A693 PolarHBondContact O-N 3.45Å; N690-A693 PolarHBondContact O-N 3.35Å; A693-A696 PolarHBondContact O-N 2.57Å; A693-L697 WeakPolarHBondContact O-CB 3.36Å; A693-L697 WeakPolarHBondContact O-CG 3.42Å; A693-L697 PolarHBondContact O-N 2.81Å
694	F	86.8	Confident	84.6	Confident	147 Å²	147	107.3 Å²	107.3	65%	0.645	54%	0.538	S	S	*	.	H	α-helix	trans	-64.5	-40.5	175	-81.2	-66.2	0	0	0	112.4	N690 I691 L697 Y698	N690-F694 VanDerWaalsContact O-CD2 3.24Å; N690-F694 WeakPolarHBondContact O-CD2 3.41Å; N690-F694 PolarHBondContact O-N 2.9Å; I691-F694 PolarHBondContact O-N 3.34Å; F694-L697 PolarHBondContact O-N 2.98Å; F694-Y698 WeakPolarHBondContact O-CB 3.45Å; F694-Y698 PolarHBondContact O-N 2.93Å
695	A	88.4	Confident	83.4	Confident	56 Å²	56	112.3 Å²	112.3	46%	0.463	55%	0.545	S	S	.	.	H	α-helix	trans	-62.1	-43.5	174.7	0	0	0	0	0	112.1	I691 L692 Y698 Y699	I691-A695 WeakPolarHBondContact O-CB 3.23Å; I691-A695 PolarHBondContact O-N 3.22Å; L692-A695 PolarHBondContact O-N 3.44Å; A695-Y698 PolarHBondContact O-N 3.37Å; A695-Y699 WeakPolarHBondContact O-CB 3.49Å; A695-Y699 PolarHBondContact O-N 2.91Å
696	A	85.4	Confident	82.1	Confident	62 Å²	62	115.2 Å²	115.2	51%	0.512	55%	0.551	S	S	.	*	H	α-helix	trans	-64.9	-40.5	176.2	0	0	0	0	0	112.5	L692 A693 K700	L692-A696 WeakPolarHBondContact O-CB 3.34Å; L692-A696 PolarHBondContact O-N 3.33Å; A693-A696 PolarHBondContact O-N 2.57Å; A696-K700 VanDerWaalsContact O-CB 3.23Å; A696-K700 WeakPolarHBondContact O-CB 3.35Å; A696-K700 PolarHBondContact O-N 3.34Å
697	L	84.8	Confident	80.4	Confident	107 Å²	107	114.8 Å²	114.8	56%	0.56	55%	0.549	S	S	*	.	H	α-helix	trans	-66	-40.8	174.1	-74.2	171.3	0	0	0	112.1	A693 F694 K700 K701	A693-L697 WeakPolarHBondContact O-CB 3.36Å; A693-L697 WeakPolarHBondContact O-CG 3.42Å; A693-L697 PolarHBondContact O-N 2.81Å; F694-L697 PolarHBondContact O-N 2.98Å; L697-K700 PolarHBondContact O-N 2.98Å; L697-K701 VanDerWaalsContact O-CB 3.3Å; L697-K701 WeakPolarHBondContact O-CB 3.45Å; L697-K701 PolarHBondContact O-N 2.99Å
698	Y	84.2	Confident	78.6	Confident	165 Å²	165	114 Å²	114	65%	0.647	55%	0.549	S	S	*	.	H	α-helix	trans	-62.7	-49.5	176.2	-167.6	-84.8	0	0	0	111	F694 A695 K700 K701 D702	F694-Y698 WeakPolarHBondContact O-CB 3.45Å; F694-Y698 PolarHBondContact O-N 2.93Å; A695-Y698 PolarHBondContact O-N 3.37Å; Y698-K700 VanDerWaalsContact C-N 3.32Å; Y698-K700 PolarHBondContact O-N 2.92Å; Y698-K701 WeakPolarHBondContact O-CB 3.41Å; Y698-K701 PolarHBondContact O-N 2.98Å; Y698-K701 VanDerWaalsContact O-N 3.1Å; Y698-D702 WeakPolarHBondContact O-CB 3.45Å; Y698-D702 PolarHBondContact O-N 3.03Å
699	Y	83.4	Confident	76.7	Confident	171 Å²	171	114.5 Å²	114.5	67%	0.671	55%	0.553	S	S	*	*	H	α-helix	trans	-60.7	-39.2	176.6	-171.8	-110.9	0	0	0	112.6	A695 D702 K703	A695-Y699 WeakPolarHBondContact O-CB 3.49Å; A695-Y699 PolarHBondContact O-N 2.91Å; Y699-D702 PolarHBondContact O-N 3.4Å; Y699-K703 WeakPolarHBondContact O-CB 3.37Å; Y699-K703 PolarHBondContact O-N 3.43Å
700	K	78.8	Confident	74.5	Confident	136 Å²	136	120 Å²	120	59%	0.591	57%	0.566	S	S	*	*	H	α-helix	trans	-67.9	-31.9	175.1	-169.2	175.9	-175.5	178.3	0	112.9	A696 L697 Y698 R704	A696-K700 VanDerWaalsContact O-CB 3.23Å; A696-K700 WeakPolarHBondContact O-CB 3.35Å; A696-K700 PolarHBondContact O-N 3.34Å; L697-K700 PolarHBondContact O-N 2.98Å; Y698-K700 VanDerWaalsContact C-N 3.32Å; Y698-K700 PolarHBondContact O-N 2.92Å; K700-R704 WeakPolarHBondContact O-CG 3.37Å; K700-R704 PolarHBondContact O-N 3.01Å
701	K	77.1	Confident	72.8	Confident	136 Å²	136	126.3 Å²	126.3	59%	0.591	58%	0.582	S	S	*	*	H	α-helix	trans	-74.5	-40	174.8	-175.5	176.9	-176.2	174.6	0	111.7	L697 Y698 R704 R705	L697-K701 VanDerWaalsContact O-CB 3.3Å; L697-K701 WeakPolarHBondContact O-CB 3.45Å; L697-K701 PolarHBondContact O-N 2.99Å; Y698-K701 WeakPolarHBondContact O-CB 3.41Å; Y698-K701 PolarHBondContact O-N 2.98Å; Y698-K701 VanDerWaalsContact O-N 3.1Å; K701-R704 PolarHBondContact O-N 3.48Å; K701-R705 PolarHBondContact O-N 2.99Å
702	D	76.9	Confident	70.4	Confident	59 Å²	59	126.4 Å²	126.4	32%	0.316	59%	0.591	S	S	.	*	H	α-helix	trans	-72.6	-42.7	-179.1	-164.9	59.9	0	0	0	112.3	Y698 Y699 R704 R705 H706	Y698-D702 WeakPolarHBondContact O-CB 3.45Å; Y698-D702 PolarHBondContact O-N 3.03Å; Y699-D702 PolarHBondContact O-N 3.4Å; D702-R704 VanDerWaalsContact C-N 3.26Å; D702-R704 PolarHBondContact O-N 3.44Å; D702-R705 WeakPolarHBondContact O-CA 3.33Å; D702-R705 WeakPolarHBondContact O-CB 3.5Å; D702-R705 PolarHBondContact O-N 3.06Å; D702-H706 PolarHBondContact O-N 2.91Å; D702-H706 IonicContact OD2-CD2 3.18Å
703	K	71.7	Confident	67.6	Low	129 Å²	129	127.2 Å²	127.2	56%	0.561	60%	0.604	S	S	*	*	H	α-helix	trans	-54.8	-42.2	170.8	-175.2	169.4	-179.5	174	0	112.2	Y699 R705 H706 D707	Y699-K703 WeakPolarHBondContact O-CB 3.37Å; Y699-K703 PolarHBondContact O-N 3.43Å; K703-R705 VanDerWaalsContact C-N 3.32Å; K703-R705 PolarHBondContact O-N 3.45Å; K703-H706 PolarHBondContact O-N 3.46Å; K703-D707 PolarHBondContact O-N 3.39Å
704	R	67.9	Low	65.3	Low	176 Å²	176	131.3 Å²	131.3	66%	0.664	63%	0.627	S	S	*	*	H	α-helix	trans	-63.4	-32.3	173.8	-79	-179.4	171.1	-169	-3.2	113.3	K700 K701 D702 V708	K700-R704 WeakPolarHBondContact O-CG 3.37Å; K700-R704 PolarHBondContact O-N 3.01Å; K701-R704 PolarHBondContact O-N 3.48Å; D702-R704 VanDerWaalsContact C-N 3.26Å; D702-R704 PolarHBondContact O-N 3.44Å; R704-V708 VanDerWaalsContact O-CG2 3.31Å; R704-V708 WeakPolarHBondContact O-CG2 3.46Å; R704-V708 PolarHBondContact O-N 2.99Å
705	R	62.9	Low	62.6	Low	162 Å²	162	133.6 Å²	133.6	61%	0.611	64%	0.639	S	S	*	*	H	α-helix	trans	-69.6	-43.2	173.7	-76.7	-179.6	160.7	-171.4	-8.1	111.7	K701 D702 K703 D707 V708 H709	K701-R705 PolarHBondContact O-N 2.99Å; D702-R705 WeakPolarHBondContact O-CA 3.33Å; D702-R705 WeakPolarHBondContact O-CB 3.5Å; D702-R705 PolarHBondContact O-N 3.06Å; K703-R705 VanDerWaalsContact C-N 3.32Å; K703-R705 PolarHBondContact O-N 3.45Å; R705-D707 PolarHBondContact O-N 3.2Å; R705-V708 PolarHBondContact O-N 2.99Å; R705-H709 PolarHBondContact O-N 3.5Å
706	H	60.4	Low	59.9	Low	129 Å²	129	142.5 Å²	142.5	60%	0.597	66%	0.661	S	S	*	*	H	α-helix	trans	-60.7	-42.8	174.8	-88.7	-73.4	0	0	0	112.7	D702 K703 V708 H709 R710	D702-H706 PolarHBondContact O-N 2.91Å; D702-H706 IonicContact OD2-CD2 3.18Å; K703-H706 PolarHBondContact O-N 3.46Å; H706-V708 VanDerWaalsContact C-N 3.3Å; H706-V708 PolarHBondContact O-N 3.24Å; H706-H709 PolarHBondContact O-N 2.98Å; H706-R710 PolarHBondContact O-N 3.47Å; H706-R710 VanDerWaalsContact O-N 3.12Å
707	D	55.5	Low	57.2	Low	91 Å²	91	145.7 Å²	145.7	49%	0.487	67%	0.674	S	S	.	*	H	α-helix	trans	-64.2	-31.8	175.9	-72	-35.9	0	0	0	112.8	K703 R705	K703-D707 PolarHBondContact O-N 3.39Å; R705-D707 PolarHBondContact O-N 3.2Å
708	V	53.3	Low	54.5	Low	94 Å²	94	147.4 Å²	147.4	57%	0.57	69%	0.689	S	S	*	*	H	α-helix	trans	-76.4	-43.8	175.6	169	0	0	0	0	112.2	R704 R705 H706 R710 R711	R704-V708 VanDerWaalsContact O-CG2 3.31Å; R704-V708 WeakPolarHBondContact O-CG2 3.46Å; R704-V708 PolarHBondContact O-N 2.99Å; R705-V708 PolarHBondContact O-N 2.99Å; H706-V708 VanDerWaalsContact C-N 3.3Å; H706-V708 PolarHBondContact O-N 3.24Å; V708-R710 PolarHBondContact O-N 3.38Å; V708-R711 PolarHBondContact O-N 2.96Å
709	H	49.2	Very low	52	Low	143 Å²	143	145.2 Å²	145.2	66%	0.662	69%	0.693	S	S	*	*	H	α-helix	trans	-61.9	-26.9	174.8	-84.8	3.9	0	0	0	112.7	R705 H706 R711	R705-H709 PolarHBondContact O-N 3.5Å; H706-H709 PolarHBondContact O-N 2.98Å; H709-R711 PolarHBondContact O-N 3.46Å
710	R	45.1	Very low	49.5	Very low	226 Å²	226	143.3 Å²	143.3	85%	0.853	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-6.4	173.2	-150.9	175.9	-173.6	-174.9	2.1	114.4	H706 V708	H706-R710 PolarHBondContact O-N 3.47Å; H706-R710 VanDerWaalsContact O-N 3.12Å; V708-R710 PolarHBondContact O-N 3.38Å
711	R	47.9	Very low	47.1	Very low	226 Å²	226	143 Å²	143	85%	0.853	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-9.7	177.1	-75.5	-173.9	169.5	-171.1	-3.7	115	V708 H709	V708-R711 PolarHBondContact O-N 2.96Å; H709-R711 PolarHBondContact O-N 3.46Å
712	C	41.3	Very low	44.9	Very low	100 Å²	100	143.4 Å²	143.4	68%	0.676	71%	0.707	S	S	*	*			trans	-129.2	90.8	179.3	-71.5	0	0	0	0	111.7
713	S	31.6	Very low	42.6	Very low	108 Å²	108	146.2 Å²	146.2	76%	0.755	73%	0.727	S	S	*	*			trans	-141.2	108.8	167.8	-73.9	0	0	0	0	109.5
714	P	38.3	Very low	40.6	Very low	135 Å²	135	149.2 Å²	149.2	88%	0.877	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-78.2	122.3	178.4	30.5	-32.4	0	0	0	110.5
715	Q	31.8	Very low	38.7	Very low	195 Å²	195	145 Å²	145	91%	0.911	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-83.7	130.3	176.2	-164.2	165.7	0.3	0	0	110.2
716	R	30.1	Very low	37	Very low	243 Å²	243	144.8 Å²	144.8	92%	0.917	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-83.4	150.2	-174.6	-142.8	173.4	-172.4	173.4	1.5	111.3
717	T	29.3	Very low	35.5	Very low	128 Å²	128	145.9 Å²	145.9	79%	0.785	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-72	149.1	-167.5	40.9	0	0	0	0	115.9
718	T	27.6	Very low	34.3	Very low	143 Å²	143	150.2 Å²	150.2	88%	0.877	77%	0.774	S	S	*	*			trans	-125.9	162.5	147	45.2	0	0	0	0	108.7
719	T	32.5	Very low	33.2	Very low	120 Å²	120	153 Å²	153	74%	0.736	78%	0.781	S	S	*	*			trans	-109.4	146.8	-163.2	54.2	0	0	0	0	113.4
720	N	30.8	Very low	32.4	Very low	131 Å²	131	151.8 Å²	151.8	70%	0.701	78%	0.778	S	S	*	*				169.7	163.7	119.7	-91.7	22.1	0	0	0	114.5
721	D	29.1	Very low	31.5	Very low	128 Å²	128	149 Å²	149	68%	0.684	78%	0.776	S	S	*	*			trans	65.7	94.5	151.5	-55.2	-25.4	0	0	0	123
722	L	30.3	Very low	30.7	Very low	145 Å²	145	142.6 Å²	142.6	76%	0.759	77%	0.767	S	S	*	*				55.7	123.2	109	-75.3	163.4	0	0	0	123
723	T	28.3	Very low	30	Very low	119 Å²	119	144.9 Å²	144.9	73%	0.73	77%	0.771	S	S	*	*			trans	89.5	148.4	137.7	59.8	0	0	0	0	124.3
724	H	29.5	Very low	29.9	Very low	192 Å²	192	147.7 Å²	147.7	89%	0.889	77%	0.772	S	S	*	*			trans	78	160.6	162.8	-82.8	-74.2	0	0	0	120.2
725	A	28.5	Very low	29.4	Very low	87 Å²	87	149.8 Å²	149.8	72%	0.719	77%	0.772	S	S	*	*			trans	-143.1	-179.4	-150.2	0	0	0	0	0	112.3
726	Q	27.9	Very low	29.2	Very low	158 Å²	158	148.8 Å²	148.8	74%	0.738	77%	0.765	S	S	*	*			trans	101.8	129.8	148.6	-159	168.3	-7.4	0	0	119.1
727	E	28.9	Very low	29.2	Very low	152 Å²	152	144 Å²	144	71%	0.71	75%	0.753	S	S	*	*			trans	67.1	142.2	153.6	-81.1	144.7	-152.9	0	0	125.7
728	E	30.2	Very low	29.1	Very low	182 Å²	182	143.4 Å²	143.4	85%	0.85	75%	0.749	S	S	*	*			trans	63.7	158.3	156.4	-71.2	-177.6	155.2	0	0	121.6
729	E	29	Very low	29.1	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	73%	0.73	S	S	*	*			cis	-145.5	148.4	1	-137.7	-146	136.8	0	0	114.5
730	I	31.6	Very low	28.9	Very low	117 Å²	117	141.7 Å²	141.7	60%	0.6	73%	0.73	S	S	*	*			trans	17.3	132.6	140	-80.2	169.6	0	0	0	124.9
731	M	27.8	Very low	28.7	Very low	167 Å²	167	141.2 Å²	141.2	82%	0.823	73%	0.727	S	S	*	*			trans	58.3	163.1	141.3	-71.5	-171.2	-137.2	0	0	122.4
732	S	30.1	Very low	28.8	Very low	92 Å²	92	142.5 Å²	142.5	64%	0.643	73%	0.729	S	S	*	*			cis	-168	-167.1	-18.3	56.2	0	0	0	0	111.1
733	L	27.4	Very low	28.6	Very low	147 Å²	147	143 Å²	143	77%	0.77	73%	0.727	S	S	*	*			trans	75.3	122	171.4	-59.7	164.1	0	0	0	116.6
734	Q	28.9	Very low	28.4	Very low	167 Å²	167	142.4 Å²	142.4	78%	0.78	73%	0.726	S	S	*	*			cis	100.7	107	11.8	-164	-168.9	23.2	0	0	116.9
735	M	27.8	Very low	28.2	Very low	179 Å²	179	141.5 Å²	141.5	88%	0.882	72%	0.723	S	S	*	*			trans	-162	126.6	142.4	-97.8	-176.9	175.8	0	0	106.7
736	K	28.4	Very low	28	Very low	174 Å²	174	142 Å²	142	76%	0.757	72%	0.721	S	S	*	*				56.6	131.4	76.2	-82.6	-160.9	162.1	-154.4	0	113.4
737	H	29.7	Very low	27.9	Very low	144 Å²	144	141.9 Å²	141.9	67%	0.667	72%	0.724	S	S	*	*			cis	-149.4	173.1	6.5	-142.8	37.1	0	0	0	107.8	D739	H737-D739 IonicContact CD2-OD2 3.54Å; H737-D739 IonicContact CE1-OD1 2.81Å; H737-D739 PolarHBondContact CE1-OD1 2.95Å; H737-D739 IonicContact CE1-OD2 3.73Å; H737-D739 IonicContact NE2-OD1 2.57Å; H737-D739 PolarHBondContact NE2-OD1 2.8Å; H737-D739 CovalentContact NE2-OD2 1.77Å; H737-D739 IonicContact NE2-OD2 1.77Å; H737-D739 PolarHBondContact NE2-OD2 3.32Å
738	T	26.2	Very low	28	Very low	114 Å²	114	143.3 Å²	143.3	70%	0.699	73%	0.73	S	S	*	*			cis	-134.4	179.3	22.9	28	0	0	0	0	110.2
739	D	28.3	Very low	28.3	Very low	91 Å²	91	139.8 Å²	139.8	49%	0.487	72%	0.723	S	S	.	*			cis	75.6	129.8	38.2	-42	-2.3	0	0	0	113.8	H737	H737-D739 IonicContact CD2-OD2 3.54Å; H737-D739 IonicContact CE1-OD1 2.81Å; H737-D739 PolarHBondContact CE1-OD1 2.95Å; H737-D739 IonicContact CE1-OD2 3.73Å; H737-D739 IonicContact NE2-OD1 2.57Å; H737-D739 PolarHBondContact NE2-OD1 2.8Å; H737-D739 CovalentContact NE2-OD2 1.77Å; H737-D739 IonicContact NE2-OD2 1.77Å; H737-D739 PolarHBondContact NE2-OD2 3.32Å
740	L	27.9	Very low	28.2	Very low	137 Å²	137	141.2 Å²	141.2	72%	0.717	73%	0.729	S	S	*	*			cis	-158.2	148.1	-1.4	-145.5	83.5	0	0	0	112.9
741	D	27.9	Very low	27.9	Very low	121 Å²	121	144.7 Å²	144.7	65%	0.647	74%	0.743	S	S	*	*			trans	49	143.6	146	-64.3	-4.1	0	0	0	127.6
742	H	30.4	Very low	27.8	Very low	155 Å²	155	142.5 Å²	142.5	72%	0.718	74%	0.739	S	S	*	*			trans	45.1	160.7	142.4	-69.8	-56.3	0	0	0	122.9
743	E	27	Very low	27.6	Very low	154 Å²	154	144 Å²	144	72%	0.72	74%	0.744	S	S	*	*			cis	-174.2	153.9	-32.5	-164.6	166	-95.4	0	0	108.8
744	C	23.5	Very low	27.5	Very low	107 Å²	107	144.3 Å²	144.3	72%	0.723	75%	0.745	S	S	*	*			trans	59.5	138	162.4	-82.9	0	0	0	0	124.6
745	E	23.9	Very low	27.4	Very low	174 Å²	174	148.2 Å²	148.2	81%	0.813	75%	0.753	S	S	*	*			trans	62.6	105.8	140.8	-66.6	-164.5	140.2	0	0	124.5
746	S	26	Very low	27.4	Very low	98 Å²	98	146.2 Å²	146.2	69%	0.685	75%	0.751	S	S	*	*				99.6	158.5	114.6	81.7	0	0	0	0	122.1
747	I	25.1	Very low	27.3	Very low	154 Å²	154	142.6 Å²	142.6	79%	0.79	75%	0.754	S	S	*	*			trans	78.5	122.4	161.4	-61.7	165.6	0	0	0	118.7
748	H	30	Very low	27.1	Very low	183 Å²	183	141.4 Å²	141.4	85%	0.847	76%	0.76	S	S	*	*			trans	-86.8	147.8	160.1	-88	-8.9	0	0	0	110
749	P	36.9	Very low	27.3	Very low	108 Å²	108	141.5 Å²	141.5	70%	0.701	76%	0.762	S	S	*	*				-149.7	178.2	89.2	37.2	-17.9	0	0	0	116.3
750	H	26.7	Very low	27.6	Very low	183 Å²	183	142.4 Å²	142.4	85%	0.847	77%	0.773	S	S	*	*			trans	9.5	144.6	160	-56.7	-66.4	0	0	0	120.4
751	E	25.3	Very low	27.6	Very low	189 Å²	189	143.1 Å²	143.1	88%	0.883	78%	0.778	S	S	*	*				-156.5	176.1	50.8	-165.3	165.4	-153.9	0	0	115.1
752	V	26.5	Very low	27.6	Very low	121 Å²	121	147.7 Å²	147.7	73%	0.733	79%	0.788	S	S	*	*			trans	-66.9	150.6	-173.5	179.7	0	0	0	0	114.6
753	V	25.6	Very low	27.6	Very low	125 Å²	125	146.2 Å²	146.2	76%	0.758	79%	0.79	S	S	*	*				174.1	128.9	128.4	150.9	0	0	0	0	113.9
754	L	25.9	Very low	27.8	Very low	152 Å²	152	147 Å²	147	80%	0.796	80%	0.798	S	S	*	*			trans	33	120.5	157.1	-63.7	168.6	0	0	0	121.1
755	R	26.7	Very low	28	Very low	250 Å²	250	145.5 Å²	145.5	94%	0.943	79%	0.794	S	S	*	*			trans	-132.1	144.2	136.6	-77.9	-162.8	172.5	-171.4	-1	111.5
756	T	26.8	Very low	28.3	Very low	137 Å²	137	146.5 Å²	146.5	84%	0.84	80%	0.801	S	S	*	*			trans	-80.9	150.6	-175.7	33.9	0	0	0	0	113
757	A	26.3	Very low	28.4	Very low	98 Å²	98	152.7 Å²	152.7	81%	0.81	81%	0.809	S	S	*	*			trans	-80.5	153.3	174.3	0	0	0	0	0	112.6
758	C	25.5	Very low	28.8	Very low	118 Å²	118	156.7 Å²	156.7	80%	0.797	81%	0.814	S	S	*	*			trans	-133.9	142	158.6	-69.7	0	0	0	0	108.4
759	P	31.7	Very low	28.8	Very low	116 Å²	116	150.8 Å²	150.8	75%	0.753	79%	0.793	S	S	*	*			trans	-79.3	160.6	-176.9	33.5	-36.3	0	0	0	112.6
760	P	34.5	Very low	28.5	Very low	110 Å²	110	151.3 Å²	151.3	71%	0.714	80%	0.797	S	S	*	*			trans	-81.3	133	172	32.4	-32.9	0	0	0	112.2	Y762	P760-Y762 PolarHBondContact O-N 3.23Å
761	D	27	Very low	29.1	Very low	153 Å²	153	146.7 Å²	146.7	82%	0.818	78%	0.778	S	S	*	*			trans	-74.1	111.1	174.8	-81.8	-44.1	0	0	0	111.9	T763	D761-T763 PolarHBondContact O-N 2.97Å
762	Y	28.4	Very low	29.6	Very low	216 Å²	216	143.8 Å²	143.8	85%	0.847	77%	0.769	S	S	*	*			trans	-67.7	115.3	166.5	-91.8	-92.7	0	0	0	110.7	P760	P760-Y762 PolarHBondContact O-N 3.23Å
763	T	29.8	Very low	29.9	Very low	125 Å²	125	143 Å²	143	77%	0.767	76%	0.764	S	S	*	*			trans	-123.7	86.9	171	41.8	0	0	0	0	111.2	D761 A765	D761-T763 PolarHBondContact O-N 2.97Å; T763-A765 VanDerWaalsContact C-N 3.31Å; T763-A765 PolarHBondContact O-N 3.27Å
764	L	31.7	Very low	30.3	Very low	169 Å²	169	142.3 Å²	142.3	89%	0.885	76%	0.762	S	S	*	*			trans	-63.8	84.7	173.7	-82.8	165.2	0	0	0	111.6	M766	L764-M766 PolarHBondContact O-N 3.4Å
765	A	27.3	Very low	30.5	Very low	77 Å²	77	142 Å²	142	64%	0.636	76%	0.761	S	S	*	*			trans	-86.6	102.4	169.2	0	0	0	0	0	109.6	T763 R767	T763-A765 VanDerWaalsContact C-N 3.31Å; T763-A765 PolarHBondContact O-N 3.27Å; A765-R767 PolarHBondContact O-N 2.7Å
766	M	31.2	Very low	30.7	Very low	195 Å²	195	138.6 Å²	138.6	96%	0.961	76%	0.757	S	S	*	*			trans	-54	100.9	174.1	-78.8	-179.8	-86.1	0	0	111.3	L764	L764-M766 PolarHBondContact O-N 3.4Å
767	R	28.1	Very low	30.9	Very low	228 Å²	228	138.2 Å²	138.2	86%	0.86	76%	0.755	S	S	*	*			trans	-119.5	127.9	166.9	-77	-176.4	165.8	-171.6	-5.3	107.6	A765	A765-R767 PolarHBondContact O-N 2.7Å
768	R	33.5	Very low	31	Very low	238 Å²	238	139.5 Å²	139.5	90%	0.898	76%	0.755	S	S	*	*			trans	-61.4	135.7	-178.8	-62.3	173.7	179.9	167.6	-3.4	109.9
769	S	29.3	Very low	31.2	Very low	59 Å²	59	141.1 Å²	141.1	41%	0.413	76%	0.756	S	S	.	*			trans	-68.8	145.5	159.9	-175.5	0	0	0	0	108.6	D771	S769-D771 PolarHBondContact O-N 3.49Å
770	P	29.7	Very low	31	Very low	118 Å²	118	141.1 Å²	141.1	77%	0.766	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-12.8	174.1	-20.9	34.2	0	0	0	114.5
771	D	40.6	Very low	30.7	Very low	87 Å²	87	143.7 Å²	143.7	47%	0.465	76%	0.76	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.1	-8	-172.1	-68.1	-45	0	0	0	114.3	K595 S769 V773	K595-D771 IonicContact NZ-OD1 3.37Å; K595-D771 PolarHBondContact NZ-OD1 3.46Å; K595-D771 IonicContact NZ-OD2 2.76Å; K595-D771 PolarHBondContact NZ-OD2 2.97Å; S769-D771 PolarHBondContact O-N 3.49Å; D771-V773 PolarHBondContact O-N 3.37Å; D771-V773 VanDerWaalsContact O-N 3.08Å
772	D	36.5	Very low	30.7	Very low	127 Å²	127	141.7 Å²	141.7	68%	0.679	75%	0.754	S	S	*	*	S	Bend	trans	-78.6	23	178.6	-57.5	-44.4	0	0	0	113.6
773	V	30.8	Very low	30.6	Very low	106 Å²	106	139.8 Å²	139.8	64%	0.642	75%	0.754	S	S	*	*	S	Bend	trans	-141	117.5	-178.2	-177.2	0	0	0	0	111.8	D771 L775	D771-V773 PolarHBondContact O-N 3.37Å; D771-V773 VanDerWaalsContact O-N 3.08Å; V773-L775 PolarHBondContact O-N 1.77Å
774	P	34.3	Very low	30.4	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	76%	0.755	S	S	*	*			trans	-63.3	123.5	168.7	-21.4	33.5	0	0	0	111.6	M776	P774-M776 PolarHBondContact O-N 2.72Å
775	L	30.7	Very low	30.2	Very low	146 Å²	146	138.3 Å²	138.3	76%	0.764	75%	0.747	S	S	*	*			trans	-74.3	96.8	171.5	-78.7	171.8	0	0	0	110.1	V773	V773-L775 PolarHBondContact O-N 1.77Å
776	M	30.4	Very low	30.2	Very low	177 Å²	177	142 Å²	142	87%	0.872	76%	0.756	S	S	*	*			trans	-43.8	138.6	171.6	-79.2	-77.1	176.2	0	0	112.6	P774	P774-M776 PolarHBondContact O-N 2.72Å
777	T	30.9	Very low	30	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	75%	0.752	S	S	*	*			trans	-74.3	129.5	-179.6	44.8	0	0	0	0	111.4	N779	T777-N779 PolarHBondContact O-N 3Å
778	P	29.7	Very low	30.2	Very low	124 Å²	124	136.3 Å²	136.3	81%	0.805	75%	0.75	S	S	*	*			trans	-88.1	96.1	176.8	32.9	-31.9	0	0	0	110.7
779	N	28.8	Very low	30.5	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	75%	0.747	S	S	*	*			trans	-150	151.6	164.4	-102	-34.5	0	0	0	112.6	T777	T777-N779 PolarHBondContact O-N 3Å
780	T	28.3	Very low	30.3	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	76%	0.763	S	S	*	*			trans	78.8	74.8	179.6	-41.8	0	0	0	0	116.2	T782	T780-T782 HydrophobicContact CG2-CG2 4.17Å
781	I	27.7	Very low	30.3	Very low	164 Å²	164	133.7 Å²	133.7	84%	0.841	77%	0.765	S	S	*	*			trans	-92.8	100.9	150.6	-60.7	177.3	0	0	0	107.7
782	T	26.5	Very low	29.6	Very low	111 Å²	111	137.9 Å²	137.9	68%	0.681	78%	0.782	S	S	*	*			trans	-116.7	111.6	168.3	44.3	0	0	0	0	109.8	T780	T780-T782 HydrophobicContact CG2-CG2 4.17Å
783	M	26.2	Very low	30.1	Very low	175 Å²	175	136.6 Å²	136.6	86%	0.862	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.2	128.5	179.8	-66.8	-89.7	-77.8	0	0	110.9
784	I	25.7	Very low	30	Very low	154 Å²	154	138.8 Å²	138.8	79%	0.79	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-100.5	120.3	173.3	-58.5	175.1	0	0	0	109.5
785	P	27.3	Very low	29.8	Very low	110 Å²	110	141.3 Å²	141.3	71%	0.714	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87.2	139.8	162.2	-0.5	20.2	0	0	0	110.7
786	N	27.3	Very low	29.7	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-72.7	136.4	174.7	-69.1	-51.4	0	0	0	112.5
787	T	28.6	Very low	29.7	Very low	142 Å²	142	139.2 Å²	139.2	87%	0.871	78%	0.779	S	S	*	*			trans	-158.9	145.9	144.7	8.2	0	0	0	0	113.1
788	I	31.5	Very low	29.5	Very low	161 Å²	161	139.2 Å²	139.2	83%	0.826	77%	0.774	S	S	*	*			trans	-129.7	132.4	175.8	-72.6	174.3	0	0	0	104.4
789	P	39.4	Very low	29.4	Very low	129 Å²	129	138.1 Å²	138.1	84%	0.838	77%	0.765	S	S	*	*				-153.2	177.3	72.1	40.8	-20.9	0	0	0	117.3
790	G	26.4	Very low	29.5	Very low	72 Å²	72	139.9 Å²	139.9	74%	0.742	77%	0.766	S	S	*	*			trans	151.4	60	157.5	0	0	0	0	0	121.4
791	I	28.3	Very low	29.5	Very low	159 Å²	159	140.4 Å²	140.4	82%	0.815	77%	0.769	S	S	*	*			trans	18	112.3	145.7	-56.7	174.7	0	0	0	119.5
792	Q	27.5	Very low	29.5	Very low	176 Å²	176	136.4 Å²	136.4	82%	0.822	77%	0.768	S	S	*	*				31	164.9	127.7	-69.7	-170.7	-21.7	0	0	123.3
793	P	46.7	Very low	29.6	Very low	100 Å²	100	134.5 Å²	134.5	65%	0.649	77%	0.771	S	S	*	*			cis	-141	-177.4	-40.2	40.9	-24.2	0	0	0	113
794	L	29	Very low	29.9	Very low	152 Å²	152	134.5 Å²	134.5	80%	0.796	77%	0.769	S	S	*	*			trans	165.2	121	137.8	-89.7	149.2	0	0	0	113.7
795	H	29.8	Very low	30.1	Very low	162 Å²	162	133 Å²	133	75%	0.75	76%	0.763	S	S	*	*				26.7	147.8	121.4	-71.4	-78	0	0	0	122.5
796	T	27.9	Very low	30.2	Very low	102 Å²	102	134.4 Å²	134.4	63%	0.626	76%	0.764	S	S	*	*			cis	-172.5	163.4	-28.8	-1.3	0	0	0	0	110.2
797	F	29.6	Very low	30.4	Very low	177 Å²	177	133.6 Å²	133.6	78%	0.776	77%	0.765	S	S	*	*			trans	75	144.7	148.9	-90.4	-62.8	0	0	0	123.2
798	N	26.5	Very low	30.6	Very low	130 Å²	130	133.6 Å²	133.6	70%	0.695	76%	0.759	S	S	*	*			trans	72.5	150.3	151.3	-67.9	-11.7	0	0	0	120.2
799	T	28.4	Very low	31.4	Very low	101 Å²	101	131.6 Å²	131.6	62%	0.62	76%	0.756	S	S	*	*			cis	159.9	137.6	-42.4	40.2	0	0	0	0	108.2
800	F	30.3	Very low	30.9	Very low	191 Å²	191	132.7 Å²	132.7	84%	0.838	75%	0.75	S	S	*	*			trans	66.6	152.6	155.4	-82.2	-127.9	0	0	0	116
801	T	29	Very low	31.9	Very low	126 Å²	126	135 Å²	135	77%	0.773	75%	0.752	S	S	*	*			cis	-156.7	157.1	-6.7	-2.4	0	0	0	0	111.5
802	G	28.3	Very low	32.1	Very low	80 Å²	80	134.3 Å²	134.3	83%	0.825	75%	0.745	S	S	*	*			trans	85.7	156.4	149.2	0	0	0	0	0	117.6
803	G	27.8	Very low	32.8	Very low	72 Å²	72	131.8 Å²	131.8	74%	0.742	74%	0.744	S	S	*	*			cis	167.6	145.1	-9.7	0	0	0	0	0	115.2
804	Q	32.7	Very low	31.9	Very low	175 Å²	175	134.6 Å²	134.6	82%	0.818	75%	0.748	S	S	*	*			trans	68.1	111	159.2	-69.4	-170.1	-22.2	0	0	121.4
805	N	30.2	Very low	32.8	Very low	123 Å²	123	132.3 Å²	132.3	66%	0.658	74%	0.742	S	S	*	*				80.1	112.8	115.3	-64	8.2	0	0	0	122.8
806	N	29.8	Very low	32.9	Very low	138 Å²	138	133.2 Å²	133.2	74%	0.738	75%	0.747	S	S	*	*				102	154.6	115	-72.9	3.5	0	0	0	122.6
807	T	31.3	Very low	33	Very low	138 Å²	138	131.9 Å²	131.9	85%	0.847	74%	0.741	S	S	*	*			trans	78	91.1	159.7	33.2	0	0	0	0	120
808	L	32.1	Very low	33.2	Very low	142 Å²	142	132 Å²	132	74%	0.743	74%	0.744	S	S	*	*			trans	-40.7	162.4	132.9	-78.4	163.7	0	0	0	113.1
809	P	47.9	Very low	33.5	Very low	119 Å²	119	129.9 Å²	129.9	77%	0.773	74%	0.739	S	S	*	*			cis	-143.5	-177.3	35	41.5	-20.9	0	0	0	119.2
810	H	30.4	Very low	33.8	Very low	151 Å²	151	131.1 Å²	131.1	70%	0.699	75%	0.747	S	S	*	*			trans	-39.6	165.2	166.7	-68.7	-69.4	0	0	0	117.1
811	P	47.4	Very low	34.1	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	74%	0.741	S	S	*	*			cis	-143.1	-178.5	29.5	42.2	-21.6	0	0	0	120.1
812	H	31.5	Very low	34.4	Very low	143 Å²	143	132.2 Å²	132.2	66%	0.662	74%	0.744	S	S	*	*			trans	-44.2	162.4	166.6	-78.1	-71	0	0	0	116.1
813	P	41.6	Very low	35.1	Very low	124 Å²	124	138.6 Å²	138.6	81%	0.805	77%	0.767	S	S	*	*			cis	-145.5	179.7	42.4	42.2	-21.3	0	0	0	120.4
814	H	29.2	Very low	35.5	Very low	159 Å²	159	141.9 Å²	141.9	74%	0.736	77%	0.768	S	S	*	*			trans	-61.6	-178.9	169.4	-59.9	-83	0	0	0	114.4
815	P	48	Very low	35.6	Very low	104 Å²	104	140.2 Å²	140.2	68%	0.675	77%	0.765	S	S	*	*			cis	-125.7	178.3	-14.6	19.4	4.1	0	0	0	113.1
816	H	31.5	Very low	35.9	Very low	181 Å²	181	141.1 Å²	141.1	84%	0.838	77%	0.771	S	S	*	*				-159.5	140.9	124.7	-107.4	-63.8	0	0	0	115
817	S	29.1	Very low	36.3	Very low	74 Å²	74	141.3 Å²	141.3	52%	0.517	77%	0.773	S	S	.	*			trans	-57.2	163.1	177.3	44.5	0	0	0	0	118.3
818	H	34.6	Very low	36.6	Very low	179 Å²	179	141.5 Å²	141.5	83%	0.829	77%	0.769	S	S	*	*			trans	88.4	150.7	163	-51.5	-68.3	0	0	0	118.1
819	S	32.4	Very low	36.9	Very low	85 Å²	85	141.5 Å²	141.5	59%	0.594	77%	0.77	S	S	*	*			cis	167.2	132.4	-32.2	168.6	0	0	0	0	106.7
820	T	34.9	Very low	36.1	Very low	127 Å²	127	143.1 Å²	143.1	78%	0.779	77%	0.77	S	S	*	*			trans	61.1	152.7	167.9	48	0	0	0	0	115.5
821	T	36.4	Very low	36.5	Very low	117 Å²	117	142.5 Å²	142.5	72%	0.718	78%	0.776	S	S	*	*			cis	-149.9	155.7	15.7	-27.4	0	0	0	0	111.4
822	R	36.1	Very low	35.6	Very low	224 Å²	224	144.2 Å²	144.2	85%	0.845	77%	0.774	S	S	*	*			trans	1.1	133.8	152.5	-65.7	173.1	176.9	164.8	-3	118.4
823	V	42.2	Very low	36	Very low	213 Å²	213	144.3 Å²	144.3	100%	1.291	78%	0.784	S	S	*	*				-120.5	0	80.5	176.4	0	0	0	0	108.2

Retrieved 823 of 823 residues in 160.3 ms (Link to these results)

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