A0A096NC77_PAPAN Loading...

Xaa-Pro aminopeptidase 2

Membrane-bound metalloprotease which catalyzes the removal of a penultimate prolyl residue from the N-termini of peptides, such as Arg-Pro-Pro. May play a role in the metabolism of the vasodilator bradykinin.

AlphaFold DB , UniProt , Accession A0A096NC77, Species PAPAN (Papio anubis, Olive baboon), Gene XPNPEP2, Length 674 aa.

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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	33.8	Very low	31.8	Very low	251 Å²	251	159.8 Å²	159.8	100%	1.236	86%	0.859	S	S	*	*				0	122.7	0	-59.4	177.5	-162.2	0	0	105.8
2	A	34.8	Very low	31.5	Very low	103 Å²	103	161.4 Å²	161.4	85%	0.851	87%	0.866	S	S	*	*			cis	-148.8	156.5	13.8	0	0	0	0	0	109.9
3	R	30	Very low	31.6	Very low	238 Å²	238	156.3 Å²	156.3	90%	0.898	84%	0.843	S	S	*	*			trans	-87.8	160.4	173.9	-69.2	175.6	170.1	-177.3	-3.4	111
4	A	32.8	Very low	31.4	Very low	83 Å²	83	155.4 Å²	155.4	69%	0.686	84%	0.837	S	S	*	*			trans	147.8	111.3	131.4	0	0	0	0	0	111.3
5	H	31.6	Very low	31.3	Very low	167 Å²	167	154.7 Å²	154.7	77%	0.773	83%	0.831	S	S	*	*				77.3	106.6	95.6	-75.7	-61.5	0	0	0	113.8
6	W	31	Very low	31.1	Very low	260 Å²	260	153.1 Å²	153.1	99%	0.985	83%	0.834	S	S	*	*				71.9	124.2	83.4	-90.4	41.1	0	0	0	115.1
7	G	28.4	Very low	31.2	Very low	72 Å²	72	149.6 Å²	149.6	74%	0.742	83%	0.831	S	S	*	*			trans	167.7	100	158	0	0	0	0	0	114.9
8	C	27.3	Very low	31.1	Very low	141 Å²	141	147.6 Å²	147.6	95%	0.953	83%	0.827	S	S	*	*				145.4	115.1	120.2	-87.1	0	0	0	0	114.1
9	C	30.6	Very low	31.1	Very low	109 Å²	109	145.1 Å²	145.1	74%	0.736	83%	0.827	S	S	*	*			trans	-100.2	153.2	161.4	-151.1	0	0	0	0	107.1
10	P	41.5	Very low	31.1	Very low	120 Å²	120	149.3 Å²	149.3	78%	0.779	83%	0.829	S	S	*	*				-151	138	96.3	34.5	-14.8	0	0	0	117.2
11	W	28	Very low	31	Very low	214 Å²	214	145.4 Å²	145.4	81%	0.811	82%	0.823	S	S	*	*			trans	35.8	118.5	134.6	-70	63.8	0	0	0	121.8	V13	W11-V13 HydrophobicContact CE3-CG2 4.34Å
12	L	29	Very low	30.9	Very low	179 Å²	179	141.5 Å²	141.5	94%	0.937	80%	0.801	S	S	*	*				-159.4	144.3	127.9	-109.8	149.1	0	0	0	112.1
13	V	32.7	Very low	30.8	Very low	95 Å²	95	142.1 Å²	142.1	58%	0.576	80%	0.797	S	S	*	*			trans	-95.8	142.2	-159.5	-178.1	0	0	0	0	111.5	W11	W11-V13 HydrophobicContact CE3-CG2 4.34Å
14	L	27.8	Very low	30.9	Very low	143 Å²	143	139.8 Å²	139.8	75%	0.749	79%	0.793	S	S	*	*				157	119.3	120.4	-102.9	109.8	0	0	0	114.2
15	L	30.7	Very low	31	Very low	145 Å²	145	141.7 Å²	141.7	76%	0.759	80%	0.798	S	S	*	*			trans	44	117	132.1	-78.7	149.4	0	0	0	120.7
16	C	27.3	Very low	31	Very low	129 Å²	129	137.6 Å²	137.6	87%	0.872	79%	0.793	S	S	*	*				-165.1	116	107.4	-110.2	0	0	0	0	110.8
17	A	34.2	Very low	31.3	Very low	95 Å²	95	132.3 Å²	132.3	79%	0.785	79%	0.785	S	S	*	*			trans	-83.4	117	172.1	0	0	0	0	0	109.4
18	C	28.9	Very low	31.8	Very low	113 Å²	113	136.8 Å²	136.8	76%	0.764	79%	0.791	S	S	*	*			trans	-125.1	82.9	156.3	-77.1	0	0	0	0	107	W20	C18-W20 VanDerWaalsContact C-N 3.35Å; C18-W20 PolarHBondContact O-N 2.7Å; C18-W20 VanDerWaalsContact O-N 3.08Å
19	A	30.8	Very low	32.6	Very low	99 Å²	99	133 Å²	133	82%	0.818	78%	0.775	S	S	*	*			trans	-71.8	95.4	165.4	0	0	0	0	0	107.5	G21	A19-G21 PolarHBondContact O-N 3.18Å
20	W	31.6	Very low	33.4	Very low	229 Å²	229	130.3 Å²	130.3	87%	0.867	77%	0.766	S	S	*	*			trans	-72.4	90.6	157.1	-78.6	15.2	0	0	0	106.6	C18 H22	C18-W20 VanDerWaalsContact C-N 3.35Å; C18-W20 PolarHBondContact O-N 2.7Å; C18-W20 VanDerWaalsContact O-N 3.08Å; W20-H22 PolarHBondContact O-N 3.14Å
21	G	28.6	Very low	34.2	Very low	68 Å²	68	132.1 Å²	132.1	70%	0.701	76%	0.764	S	S	*	*			trans	-61	105.4	163.4	0	0	0	0	0	107.5	A19	A19-G21 PolarHBondContact O-N 3.18Å
22	H	32.6	Very low	36.3	Very low	169 Å²	169	126.6 Å²	126.6	78%	0.782	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-55.5	125.3	158.6	-78.3	-70.8	0	0	0	106.7	W20 K24	W20-H22 PolarHBondContact O-N 3.14Å; H22-K24 PolarHBondContact O-N 3.44Å
23	P	30.6	Very low	39	Very low	117 Å²	117	120.5 Å²	120.5	76%	0.76	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-59	119.8	166.5	23.8	-26.9	0	0	0	105.5
24	K	32.6	Very low	41.8	Very low	189 Å²	189	117 Å²	117	82%	0.822	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-49.2	134.5	159.6	-77.2	-179.3	174.5	-178.6	0	105.9	H22 A26	H22-K24 PolarHBondContact O-N 3.44Å; K24-A26 PolarHBondContact O-N 3.28Å
25	P	34.8	Very low	44.8	Very low	122 Å²	122	113.5 Å²	113.5	79%	0.792	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-49.8	126.7	168.5	6.3	-6.8	0	0	0	106.2	D27	P25-D27 PolarHBondContact O-N 3.3Å
26	A	32	Very low	47.7	Very low	81 Å²	81	109.4 Å²	109.4	67%	0.669	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-53	117	171.9	0	0	0	0	0	105.8	K24 L28	K24-A26 PolarHBondContact O-N 3.28Å; A26-L28 HydrophobicContact CB-CG 4.48Å; A26-L28 PolarHBondContact O-N 3.36Å
27	D	38.1	Very low	50.7	Low	150 Å²	150	108.9 Å²	108.9	80%	0.802	66%	0.66	S	S	*	*			trans	-65.1	87	168.7	-166.4	6.8	0	0	0	105.9	P25 G29	P25-D27 PolarHBondContact O-N 3.3Å; D27-G29 PolarHBondContact O-N 3.13Å; D27-G29 WeakPolarHBondContact OD1-CA 3.28Å; D27-G29 PolarHBondContact OD1-N 3.23Å
28	L	38.4	Very low	53.3	Low	166 Å²	166	107.3 Å²	107.3	87%	0.869	64%	0.64	S	S	*	*			trans	-75.8	13.4	166.3	-72.4	167	0	0	0	110.2	A26 G30	A26-L28 HydrophobicContact CB-CG 4.48Å; A26-L28 PolarHBondContact O-N 3.36Å; L28-G30 PolarHBondContact O-N 3.27Å
29	G	44.7	Very low	56	Low	60 Å²	60	109.7 Å²	109.7	62%	0.619	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	104.7	175.5	0	0	0	0	0	111.7	D27	D27-G29 PolarHBondContact O-N 3.13Å; D27-G29 WeakPolarHBondContact OD1-CA 3.28Å; D27-G29 PolarHBondContact OD1-N 3.23Å
30	G	46.3	Very low	58.6	Low	53 Å²	53	110 Å²	110	55%	0.546	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	135.4	-3.7	151.9	0	0	0	0	0	118	L28	L28-G30 PolarHBondContact O-N 3.27Å
31	Q	58.1	Low	61.4	Low	158 Å²	158	101.8 Å²	101.8	74%	0.738	62%	0.615	S	S	*	*	S	Bend	trans	-94.5	4.8	-174.2	-70	-163.6	-9.2	0	0	116	Y42	Q31-Y42 PolarHBondContact O-OH 2.76Å
32	D	73.4	Confident	64.4	Low	98 Å²	98	103.4 Å²	103.4	52%	0.524	60%	0.601	S	S	.	*	S	Bend	trans	-112	-4.2	-176.3	-67.5	-14.6	0	0	0	114.6	P44 R123	D32-P44 WeakPolarHBondContact O-CG 3.22Å; D32-R123 VanDerWaalsContact O-CG 3.23Å; D32-R123 WeakPolarHBondContact O-CG 3.2Å; D32-R123 IonicContact OD2-NH2 3.51Å; D32-R123 PolarHBondContact OD2-NH2 3.3Å
33	V	84.8	Confident	67.1	Low	51 Å²	51	99 Å²	99	31%	0.309	58%	0.583	S	S	.	*	S	Bend	trans	-119.1	152.2	-178.8	-64.5	0	0	0	0	111.6	Y42 P44 T119 E122 R123	V33-Y42 VanDerWaalsContact O-CD1 3.3Å; V33-Y42 WeakPolarHBondContact O-CD1 3.36Å; V33-Y42 WeakPolarHBondContact O-CE1 3.38Å; V33-P44 VanDerWaalsContact C-CG 3.45Å; V33-T119 HydrophobicContact CG1-CG2 4.41Å; V33-E122 HydrophobicContact CB-CB 4.04Å; V33-E122 HydrophobicContact CG1-CB 4.02Å; V33-R123 HydrophobicContact CG1-CG 3.83Å
34	R	90.8	Very high	69.8	Low	22 Å²	22	93.9 Å²	93.9	8%	0.083	55%	0.549	C	S	.	.			trans	-62.7	147.4	179.7	73	-165.8	178.3	159.3	0.8	112.7	Y42 L43 E122 M125 D126 W129	R34-Y42 CarbonylContact C-O 3.6Å; R34-Y42 VanDerWaalsContact CA-O 3.29Å; R34-Y42 WeakPolarHBondContact CA-O 3.41Å; R34-L43 HydrophobicContact CB-CD2 4.06Å; R34-E122 WeakPolarHBondContact CG-O 3.24Å; R34-E122 WeakPolarHBondContact CG-OE2 3.37Å; R34-E122 IonicContact CZ-OE2 2.69Å; R34-E122 PolarHBondContact N-O 3.35Å; R34-E122 IonicContact NE-OE2 3.48Å; R34-E122 PolarHBondContact NE-OE2 2.8Å; R34-E122 IonicContact NH2-OE1 2.65Å; R34-E122 IonicContact NH2-OE2 3.85Å; R34-E122 PolarHBondContact NH2-OE2 3.46Å; R34-M125 WeakPolarHBondContact CD-O 3.47Å; R34-D126 PolarHBondContact NH1-O 3.15Å; R34-W129 PolarHBondContact NH1-O 3.21Å; R34-W129 PolarHBondContact NH2-O 3.04Å
35	N	91.4	Very high	72.3	Confident	70 Å²	70	92.1 Å²	92.1	37%	0.374	55%	0.554	S	S	.	*	B	Isolated β-bridge	trans	-126.6	99.2	168.2	-173.4	-11.4	0	0	0	110	S37 T38 P41 Y42	N35-S37 VanDerWaalsContact C-N 3.29Å; N35-S37 PolarHBondContact O-N 2.91Å; N35-S37 WeakPolarHBondContact OD1-CB 3.4Å; N35-S37 PolarHBondContact OD1-N 3.14Å; N35-T38 PolarHBondContact O-OG1 2.82Å; N35-P41 WeakPolarHBondContact O-CA 3.5Å; N35-Y42 PolarHBondContact N-O 2.88Å; N35-Y42 PolarHBondContact O-N 3.1Å
36	C	92.1	Very high	74.6	Confident	58 Å²	58	89.2 Å²	89.2	39%	0.392	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.7	-179	-57.8	0	0	0	0	114.1	C127	C36-C127 WeakPolarHBondContact CA-SG 3.05Å; C36-C127 HydrophobicContact CB-CB 3.71Å; C36-C127 WeakPolarHBondContact CB-SG 3.37Å; C36-C127 WeakPolarHBondContact SG-CA 3.48Å; C36-C127 WeakPolarHBondContact SG-CB 3.26Å; C36-C127 CovalentContact SG-SG 2.04Å; C36-C127 PolarHBondContact SG-SG 3.05Å
37	S	90.6	Very high	77.5	Confident	119 Å²	119	86.5 Å²	86.5	83%	0.832	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-10	179.2	-57.9	0	0	0	0	113.3	N35	N35-S37 VanDerWaalsContact C-N 3.29Å; N35-S37 PolarHBondContact O-N 2.91Å; N35-S37 WeakPolarHBondContact OD1-CB 3.4Å; N35-S37 PolarHBondContact OD1-N 3.14Å
38	T	87.9	Confident	80.1	Confident	62 Å²	62	82.8 Å²	82.8	38%	0.38	49%	0.492	S	S	.	.	S	Bend	trans	-95.2	161	178.9	60.5	0	0	0	0	111.7	N35 P40 P41 Y42	N35-T38 PolarHBondContact O-OG1 2.82Å; T38-P40 CarbonylContact C-O 3.6Å; T38-P40 CarbonylContact O-C 3.53Å; T38-P40 VanDerWaalsContact O-C 3.26Å; T38-P40 PolarHBondContact OG1-O 3.05Å; T38-P41 WeakPolarHBondContact O-CA 3.35Å; T38-P41 VanDerWaalsContact O-N 3.12Å; T38-P41 WeakPolarHBondContact OG1-CA 3.26Å; T38-Y42 PolarHBondContact OG1-N 2.87Å
39	N	84.9	Confident	82.8	Confident	162 Å²	162	80.6 Å²	80.6	87%	0.866	48%	0.481	S	S	*	.	S	Bend	trans	-128.3	108.5	175.5	-170.8	18	0	0	0	110.8
40	P	86.3	Confident	85.4	Confident	106 Å²	106	77.9 Å²	77.9	69%	0.688	45%	0.452	S	S	*	.	S	Bend	cis	-68.5	156.5	-1.3	30.4	-35	0	0	0	112.2	T38	T38-P40 CarbonylContact C-O 3.6Å; T38-P40 CarbonylContact O-C 3.53Å; T38-P40 VanDerWaalsContact O-C 3.26Å; T38-P40 PolarHBondContact OG1-O 3.05Å
41	P	90.5	Very high	87.8	Confident	57 Å²	57	78.2 Å²	78.2	37%	0.37	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-56	143.3	170.1	-26.9	36	0	0	0	111.6	N35 T38	N35-P41 WeakPolarHBondContact O-CA 3.5Å; T38-P41 WeakPolarHBondContact O-CA 3.35Å; T38-P41 VanDerWaalsContact O-N 3.12Å; T38-P41 WeakPolarHBondContact OG1-CA 3.26Å
42	Y	90.8	Very high	89.7	Confident	101 Å²	101	76.3 Å²	76.3	40%	0.396	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-82.6	125.7	166.8	176.4	-100.4	0	0	0	109.4	Q31 V33 R34 N35 T38 P44	Q31-Y42 PolarHBondContact O-OH 2.76Å; V33-Y42 VanDerWaalsContact O-CD1 3.3Å; V33-Y42 WeakPolarHBondContact O-CD1 3.36Å; V33-Y42 WeakPolarHBondContact O-CE1 3.38Å; R34-Y42 CarbonylContact C-O 3.6Å; R34-Y42 VanDerWaalsContact CA-O 3.29Å; R34-Y42 WeakPolarHBondContact CA-O 3.41Å; N35-Y42 PolarHBondContact N-O 2.88Å; N35-Y42 PolarHBondContact O-N 3.1Å; T38-Y42 PolarHBondContact OG1-N 2.87Å; Y42-P44 HydrophobicContact CE1-CG 4.15Å
43	L	90.8	Very high	90.8	Very high	77 Å²	77	72.9 Å²	72.9	40%	0.403	43%	0.427	S	S	.	.			trans	-124.7	123.3	177.2	-61.2	179.8	0	0	0	109.6	R34 V47	R34-L43 HydrophobicContact CB-CD2 4.06Å; L43-V47 HydrophobicContact CB-CB 4.23Å; L43-V47 HydrophobicContact CB-CG1 4.34Å; L43-V47 HydrophobicContact CB-CG2 4.24Å; L43-V47 HydrophobicContact CD1-CG1 4.21Å; L43-V47 HydrophobicContact CD2-CG1 4.21Å; L43-V47 HydrophobicContact CD2-CG2 4.45Å; L43-V47 HydrophobicContact CG-CG1 4.49Å
44	P	85.7	Confident	91.5	Very high	9 Å²	9	70.5 Å²	70.5	6%	0.058	41%	0.412	C	S	.	.			trans	-57.1	156.1	170.2	-26.6	32.7	0	0	0	112.3	D32 V33 Y42 T46 V47	D32-P44 WeakPolarHBondContact O-CG 3.22Å; V33-P44 VanDerWaalsContact C-CG 3.45Å; Y42-P44 HydrophobicContact CE1-CG 4.15Å; P44-T46 PolarHBondContact O-N 2.95Å; P44-T46 VanDerWaalsContact O-N 3.1Å; P44-V47 HydrophobicContact CB-CG2 4.27Å; P44-V47 HydrophobicContact CG-CG2 4.28Å; P44-V47 WeakPolarHBondContact O-CB 3.42Å; P44-V47 PolarHBondContact O-N 2.71Å
45	V	84.9	Confident	91.9	Very high	153 Å²	153	72.7 Å²	72.7	93%	0.927	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.9	177.4	-63.8	0	0	0	0	113.5	V47	V45-V47 VanDerWaalsContact C-N 3.3Å
46	T	84.9	Confident	92.2	Very high	60 Å²	60	70.6 Å²	70.6	37%	0.368	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.6	176.5	46.3	0	0	0	0	113.5	P44 R123	P44-T46 PolarHBondContact O-N 2.95Å; P44-T46 VanDerWaalsContact O-N 3.1Å; T46-R123 CarbonylContact C-O 3.47Å; T46-R123 WeakPolarHBondContact CB-O 3.42Å; T46-R123 PolarHBondContact OG1-O 2.77Å
47	V	91.8	Very high	92.5	Very high	25 Å²	25	67.8 Å²	67.8	15%	0.152	40%	0.402	C	S	.	.			trans	-75.1	131.8	-179.8	170.1	0	0	0	0	111.7	L43 P44 V45 R123 Q124 D126	L43-V47 HydrophobicContact CB-CB 4.23Å; L43-V47 HydrophobicContact CB-CG1 4.34Å; L43-V47 HydrophobicContact CB-CG2 4.24Å; L43-V47 HydrophobicContact CD1-CG1 4.21Å; L43-V47 HydrophobicContact CD2-CG1 4.21Å; L43-V47 HydrophobicContact CD2-CG2 4.45Å; L43-V47 HydrophobicContact CG-CG1 4.49Å; P44-V47 HydrophobicContact CB-CG2 4.27Å; P44-V47 HydrophobicContact CG-CG2 4.28Å; P44-V47 WeakPolarHBondContact O-CB 3.42Å; P44-V47 PolarHBondContact O-N 2.71Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V47-R123 VanDerWaalsContact CG2-O 3.32Å; V47-R123 WeakPolarHBondContact CG2-O 3.09Å; V47-Q124 WeakPolarHBondContact CA-O 3.45Å; V47-D126 HydrophobicContact CG1-CB 3.59Å
48	V	92.9	Very high	92.9	Very high	72 Å²	72	64.3 Å²	64.3	44%	0.436	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-93.7	128.4	170.5	-175.8	0	0	0	0	109.9	T50 Q124 D126	V48-T50 HydrophobicContact CG1-CG2 4.44Å; V48-T50 PolarHBondContact O-N 2.81Å; V48-Q124 PolarHBondContact N-O 3.25Å; V48-D126 WeakPolarHBondContact O-CB 3.4Å
49	N	95.8	Very high	93.4	Very high	120 Å²	120	66.5 Å²	66.5	64%	0.642	38%	0.376	S	S	*	.			trans	-78.3	112.8	173.1	-176.1	-13	0	0	0	110.5	T51	N49-T51 VanDerWaalsContact OD1-CB 3.3Å; N49-T51 WeakPolarHBondContact OD1-CB 3.31Å; N49-T51 PolarHBondContact OD1-N 3.03Å; N49-T51 PolarHBondContact OD1-OG1 3.35Å
50	T	97.7	Very high	94	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.012	35%	0.347	C	S	.	.			trans	-103.2	2.9	-173.1	64.8	0	0	0	0	113.2	V48 V52 S53 L54 I92 D126 W129	V48-T50 HydrophobicContact CG1-CG2 4.44Å; V48-T50 PolarHBondContact O-N 2.81Å; T50-V52 VanDerWaalsContact C-N 3.31Å; T50-V52 PolarHBondContact O-N 2.94Å; T50-S53 PolarHBondContact O-N 3.19Å; T50-L54 WeakPolarHBondContact O-CB 3.28Å; T50-L54 PolarHBondContact O-N 2.65Å; T50-I92 WeakPolarHBondContact CB-O 3.25Å; T50-I92 VanDerWaalsContact CG2-O 3.27Å; T50-I92 WeakPolarHBondContact CG2-O 3.43Å; T50-D126 PolarHBondContact N-OD2 3.32Å; T50-D126 PolarHBondContact OG1-OD1 2.89Å; T50-D126 VanDerWaalsContact OG1-OD1 3.13Å; T50-D126 PolarHBondContact OG1-OD2 2.84Å; T50-W129 PolarHBondContact OG1-NE1 3.04Å
51	T	97.6	Very high	94.6	Very high	61 Å²	61	56.3 Å²	56.3	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-55.2	-43.6	-171.9	-54.7	0	0	0	0	112.9	N49 T55 N128	N49-T51 VanDerWaalsContact OD1-CB 3.3Å; N49-T51 WeakPolarHBondContact OD1-CB 3.31Å; N49-T51 PolarHBondContact OD1-N 3.03Å; N49-T51 PolarHBondContact OD1-OG1 3.35Å; T51-T55 WeakPolarHBondContact O-CB 3.48Å; T51-T55 PolarHBondContact O-N 2.96Å; T51-T55 VanDerWaalsContact O-N 3.11Å; T51-T55 PolarHBondContact O-OG1 3.16Å; T51-N128 PolarHBondContact OG1-ND2 3.01Å
52	V	97.6	Very high	95	Very high	118 Å²	118	59.2 Å²	59.2	72%	0.715	32%	0.323	S	S	*	.	H	α-helix	trans	-69	-51.1	-178.8	176.9	0	0	0	0	110.5	T50 L54 T55 A56	T50-V52 VanDerWaalsContact C-N 3.31Å; T50-V52 PolarHBondContact O-N 2.94Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 3.32Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 3.39Å; V52-A56 PolarHBondContact O-N 3.5Å
53	S	97.8	Very high	95.3	Very high	26 Å²	26	58.7 Å²	58.7	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-41.8	-179.9	-49.7	0	0	0	0	111.8	T50 T55 A56 L57	T50-S53 PolarHBondContact O-N 3.19Å; S53-T55 PolarHBondContact O-N 2.85Å; S53-A56 PolarHBondContact O-N 2.77Å; S53-L57 WeakPolarHBondContact O-CB 3.14Å; S53-L57 PolarHBondContact O-N 3.08Å
54	L	98.4	Very high	95.6	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-37.9	177.3	-171.4	63.9	0	0	0	112.4	T50 V52 R58 V104 A109 N128 W129	T50-L54 WeakPolarHBondContact O-CB 3.28Å; T50-L54 PolarHBondContact O-N 2.65Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 3.32Å; L54-R58 WeakPolarHBondContact O-CG 3.16Å; L54-R58 PolarHBondContact O-N 3.32Å; L54-R58 VanDerWaalsContact O-N 3.08Å; L54-V104 HydrophobicContact CD1-CB 4.3Å; L54-V104 HydrophobicContact CD1-CG1 3.59Å; L54-V104 HydrophobicContact CD1-CG2 3.67Å; L54-A109 HydrophobicContact CD1-CB 3.97Å; L54-A109 HydrophobicContact CD2-CB 3.94Å; L54-N128 HydrophobicContact CD2-CB 3.87Å; L54-W129 HydrophobicContact CD1-CH2 4.5Å; L54-W129 HydrophobicContact CD1-CZ2 4.15Å
55	T	98.6	Very high	96.1	Very high	67 Å²	67	65.1 Å²	65.1	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-46.3	175.3	-61.4	0	0	0	0	111	T51 V52 S53 R58 Q59	T51-T55 WeakPolarHBondContact O-CB 3.48Å; T51-T55 PolarHBondContact O-N 2.96Å; T51-T55 VanDerWaalsContact O-N 3.11Å; T51-T55 PolarHBondContact O-OG1 3.16Å; V52-T55 WeakPolarHBondContact O-CB 3.4Å; V52-T55 PolarHBondContact O-N 3.39Å; S53-T55 PolarHBondContact O-N 2.85Å; T55-R58 PolarHBondContact O-N 3.35Å; T55-Q59 WeakPolarHBondContact O-CG 3.21Å; T55-Q59 PolarHBondContact O-N 2.84Å; T55-Q59 VanDerWaalsContact O-N 3.13Å
56	A	98.4	Very high	96.7	Very high	26 Å²	26	58.1 Å²	58.1	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-37.8	178.2	0	0	0	0	0	112.3	V52 S53 R58 Q59 Q60 V191	V52-A56 PolarHBondContact O-N 3.5Å; S53-A56 PolarHBondContact O-N 2.77Å; A56-R58 PolarHBondContact O-N 2.85Å; A56-Q59 WeakPolarHBondContact O-CB 3.46Å; A56-Q59 PolarHBondContact O-N 2.82Å; A56-Q59 VanDerWaalsContact O-N 3.16Å; A56-Q60 PolarHBondContact O-N 3.4Å; A56-Q60 VanDerWaalsContact O-N 3.08Å; A56-V191 HydrophobicContact CB-CB 4.43Å; A56-V191 HydrophobicContact CB-CG1 3.43Å; A56-V191 VanDerWaalsContact CB-CG1 3.43Å; A56-V191 HydrophobicContact CB-CG2 4.11Å
57	L	98.8	Very high	97.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-44	173.1	177.9	62.8	0	0	0	111.9	S53 Q59 Q60 M61 Y69 I71 I92 V104 L187 V191	S53-L57 WeakPolarHBondContact O-CB 3.14Å; S53-L57 PolarHBondContact O-N 3.08Å; L57-Q59 VanDerWaalsContact C-N 3.26Å; L57-Q59 PolarHBondContact O-N 2.94Å; L57-Q60 PolarHBondContact O-N 3.26Å; L57-Q60 VanDerWaalsContact O-N 3.11Å; L57-M61 HydrophobicContact CG-SD 4.2Å; L57-M61 WeakPolarHBondContact O-CG 3.3Å; L57-M61 PolarHBondContact O-N 2.98Å; L57-Y69 HydrophobicContact CD1-CD1 4.27Å; L57-I71 HydrophobicContact CD2-CD1 3.84Å; L57-I92 HydrophobicContact CB-CD1 4.49Å; L57-I92 HydrophobicContact CD2-CD1 4.27Å; L57-I92 HydrophobicContact CD2-CG1 4.09Å; L57-V104 HydrophobicContact CD2-CB 4.12Å; L57-V104 HydrophobicContact CD2-CG1 4.23Å; L57-V104 HydrophobicContact CD2-CG2 3.82Å; L57-L187 HydrophobicContact CD1-CB 3.62Å; L57-V191 HydrophobicContact CB-CG2 4.31Å
58	R	98.8	Very high	97.7	Very high	45 Å²	45	55.5 Å²	55.5	17%	0.17	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-32.3	175.7	-74.1	171.5	177	149	1.2	112.7	L54 T55 A56 M61 Q62 V104 T105 M106 K107 K108	L54-R58 WeakPolarHBondContact O-CG 3.16Å; L54-R58 PolarHBondContact O-N 3.32Å; L54-R58 VanDerWaalsContact O-N 3.08Å; T55-R58 PolarHBondContact O-N 3.35Å; A56-R58 PolarHBondContact O-N 2.85Å; R58-M61 HydrophobicContact CG-SD 4.41Å; R58-M61 PolarHBondContact O-N 3.25Å; R58-Q62 WeakPolarHBondContact O-CG 3.44Å; R58-Q62 PolarHBondContact O-N 3.24Å; R58-V104 HydrophobicContact CG-CG1 4.14Å; R58-T105 PolarHBondContact NE-O 3.29Å; R58-M106 HydrophobicContact CB-CE 4.19Å; R58-K107 VanDerWaalsContact NH2-C 3.31Å; R58-K107 PolarHBondContact NH2-O 3.18Å; R58-K108 VanDerWaalsContact NH2-C 3.32Å; R58-K108 PolarHBondContact NH2-O 3.45Å; R58-K108 VanDerWaalsContact NH2-O 3.12Å
59	Q	98.5	Very high	97.9	Very high	108 Å²	108	52.1 Å²	52.1	51%	0.505	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-43.6	172.3	-67.9	170.6	-3.1	0	0	111.1	T55 A56 L57 M61 Q62 T63	T55-Q59 WeakPolarHBondContact O-CG 3.21Å; T55-Q59 PolarHBondContact O-N 2.84Å; T55-Q59 VanDerWaalsContact O-N 3.13Å; A56-Q59 WeakPolarHBondContact O-CB 3.46Å; A56-Q59 PolarHBondContact O-N 2.82Å; A56-Q59 VanDerWaalsContact O-N 3.16Å; L57-Q59 VanDerWaalsContact C-N 3.26Å; L57-Q59 PolarHBondContact O-N 2.94Å; Q59-M61 VanDerWaalsContact C-N 3.32Å; Q59-M61 PolarHBondContact O-N 3.4Å; Q59-Q62 WeakPolarHBondContact O-CB 3.4Å; Q59-Q62 PolarHBondContact O-N 3.44Å; Q59-T63 PolarHBondContact O-N 3.09Å
60	Q	98.4	Very high	98.1	Very high	55 Å²	55	46.5 Å²	46.5	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-36.1	174.2	-62.5	-55.8	-29.6	0	0	112.5	A56 L57 Q62 T63 Q64 L187 L190 V191	A56-Q60 PolarHBondContact O-N 3.4Å; A56-Q60 VanDerWaalsContact O-N 3.08Å; L57-Q60 PolarHBondContact O-N 3.26Å; L57-Q60 VanDerWaalsContact O-N 3.11Å; Q60-Q62 VanDerWaalsContact C-N 3.34Å; Q60-Q62 PolarHBondContact O-N 3.32Å; Q60-T63 PolarHBondContact O-N 2.89Å; Q60-T63 PolarHBondContact O-OG1 2.89Å; Q60-Q64 PolarHBondContact O-N 3.11Å; Q60-L187 HydrophobicContact CB-CB 4.26Å; Q60-L187 HydrophobicContact CB-CD1 4.44Å; Q60-L187 HydrophobicContact CB-CD2 4.28Å; Q60-L190 HydrophobicContact CG-CB 4.35Å; Q60-L190 HydrophobicContact CG-CD1 4.46Å; Q60-V191 HydrophobicContact CG-CG2 3.78Å
61	M	98.5	Very high	98.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-40.1	173.4	-69.4	166.7	57.4	0	0	112	L57 R58 Q59 Q64 N65 L66 V104 M106 L187	L57-M61 HydrophobicContact CG-SD 4.2Å; L57-M61 WeakPolarHBondContact O-CG 3.3Å; L57-M61 PolarHBondContact O-N 2.98Å; R58-M61 HydrophobicContact CG-SD 4.41Å; R58-M61 PolarHBondContact O-N 3.25Å; Q59-M61 VanDerWaalsContact C-N 3.32Å; Q59-M61 PolarHBondContact O-N 3.4Å; M61-Q64 CarbonylContact O-C 3.47Å; M61-Q64 PolarHBondContact O-N 3.43Å; M61-N65 PolarHBondContact O-N 3.45Å; M61-N65 VanDerWaalsContact O-N 3.16Å; M61-L66 HydrophobicContact CB-CB 4.12Å; M61-L66 PolarHBondContact O-N 3.17Å; M61-V104 HydrophobicContact CE-CG1 4.47Å; M61-V104 WeakPolarHBondContact CE-O 3.44Å; M61-V104 HydrophobicContact SD-CB 4.3Å; M61-V104 HydrophobicContact SD-CG1 3.86Å; M61-M106 HydrophobicContact CB-SD 4.21Å; M61-M106 HydrophobicContact CE-SD 3.98Å; M61-L187 HydrophobicContact CG-CD1 4.01Å
62	Q	97.9	Very high	98.1	Very high	117 Å²	117	44.3 Å²	44.3	55%	0.547	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-41.6	177	-73.7	170.2	5.3	0	0	112.3	R58 Q59 Q60 Q64 N65 M106	R58-Q62 WeakPolarHBondContact O-CG 3.44Å; R58-Q62 PolarHBondContact O-N 3.24Å; Q59-Q62 WeakPolarHBondContact O-CB 3.4Å; Q59-Q62 PolarHBondContact O-N 3.44Å; Q60-Q62 VanDerWaalsContact C-N 3.34Å; Q60-Q62 PolarHBondContact O-N 3.32Å; Q62-Q64 PolarHBondContact O-N 2.85Å; Q62-N65 PolarHBondContact O-N 2.92Å; Q62-N65 VanDerWaalsContact O-N 3.08Å; Q62-M106 HydrophobicContact CG-CE 3.4Å; Q62-M106 VanDerWaalsContact CG-CE 3.4Å; Q62-M106 HydrophobicContact CG-SD 4.24Å
63	T	97.2	Very high	97.9	Very high	91 Å²	91	40.4 Å²	40.4	56%	0.558	22%	0.216	S	C	*	.	H	α-helix	trans	-64.2	-26.7	178.8	64	0	0	0	0	112.5	Q59 Q60	Q59-T63 PolarHBondContact O-N 3.09Å; Q60-T63 PolarHBondContact O-N 2.89Å; Q60-T63 PolarHBondContact O-OG1 2.89Å
64	Q	96.4	Very high	97.7	Very high	88 Å²	88	40 Å²	40	41%	0.411	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	6.1	176.6	-59.7	-61.6	-28.2	0	0	113.7	Q60 M61 Q62 L66 L187	Q60-Q64 PolarHBondContact O-N 3.11Å; M61-Q64 CarbonylContact O-C 3.47Å; M61-Q64 PolarHBondContact O-N 3.43Å; Q62-Q64 PolarHBondContact O-N 2.85Å; Q64-L66 HydrophobicContact CB-CD1 3.99Å; Q64-L66 HydrophobicContact CB-CG 3.81Å; Q64-L66 PolarHBondContact O-N 3.13Å; Q64-L187 HydrophobicContact CG-CD2 4.15Å
65	N	96.4	Very high	97.6	Very high	133 Å²	133	40 Å²	40	71%	0.711	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	35.2	-175.1	-60.1	-59.8	0	0	0	114.2	M61 Q62	M61-N65 PolarHBondContact O-N 3.45Å; M61-N65 VanDerWaalsContact O-N 3.16Å; Q62-N65 PolarHBondContact O-N 2.92Å; Q62-N65 VanDerWaalsContact O-N 3.08Å
66	L	98.1	Very high	97.5	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	20%	0.198	C	C	.	.			trans	-89.8	140.3	178.9	-59.3	177.6	0	0	0	111.5	M61 Q64 Y69 C153 I183 L187	M61-L66 HydrophobicContact CB-CB 4.12Å; M61-L66 PolarHBondContact O-N 3.17Å; Q64-L66 HydrophobicContact CB-CD1 3.99Å; Q64-L66 HydrophobicContact CB-CG 3.81Å; Q64-L66 PolarHBondContact O-N 3.13Å; L66-Y69 HydrophobicContact CD1-CD2 3.99Å; L66-C153 HydrophobicContact CD2-CB 3.99Å; L66-I183 HydrophobicContact CD1-CG1 4.27Å; L66-I183 HydrophobicContact CD2-CD1 4.49Å; L66-L187 HydrophobicContact CD1-CD1 3.74Å
67	S	98.4	Very high	97.5	Very high	29 Å²	29	36.3 Å²	36.3	20%	0.203	19%	0.188	C	C	.	.	S	Bend	trans	-92.9	-27.2	171	-56.9	0	0	0	0	112.6	T105 M106 I148 G152 C153	S67-T105 WeakPolarHBondContact O-CA 3.35Å; S67-M106 PolarHBondContact O-N 3.37Å; S67-I148 VanDerWaalsContact CB-CG2 3.44Å; S67-G152 WeakPolarHBondContact OG-CA 3.43Å; S67-C153 PolarHBondContact N-O 3.24Å
68	A	98.6	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.6	170.4	0	0	0	0	0	113	V103 V104 T105 L144 I148 C153 V154 G155	A68-V103 HydrophobicContact CB-CG1 4.48Å; A68-V104 CarbonylContact C-O 3.57Å; A68-V104 WeakPolarHBondContact CA-O 3.08Å; A68-V104 WeakPolarHBondContact CB-O 3.47Å; A68-T105 HydrophobicContact CB-CG2 4.07Å; A68-L144 HydrophobicContact CB-CD2 3.71Å; A68-I148 HydrophobicContact CB-CD1 3.29Å; A68-I148 HydrophobicContact CB-CG1 4.31Å; A68-C153 PolarHBondContact N-O 2.87Å; A68-V154 HydrophobicContact CB-CG1 4.39Å; A68-G155 PolarHBondContact O-N 3.45Å
69	Y	98.8	Very high	97	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.9	177	-164.9	-117.2	0	0	0	110.8	L57 L66 I71 V103 V104 G155 L187 V188	L57-Y69 HydrophobicContact CD1-CD1 4.27Å; L66-Y69 HydrophobicContact CD1-CD2 3.99Å; Y69-I71 HydrophobicContact CD1-CD1 4Å; Y69-I71 HydrophobicContact CD1-CG1 3.58Å; Y69-I71 HydrophobicContact CE1-CD1 4.5Å; Y69-I71 HydrophobicContact CE1-CG1 3.88Å; Y69-V103 WeakPolarHBondContact O-CA 3.41Å; Y69-V104 PolarHBondContact N-O 2.77Å; Y69-V104 PolarHBondContact O-N 3.14Å; Y69-G155 WeakPolarHBondContact CA-O 3.32Å; Y69-G155 WeakPolarHBondContact CD2-O 3.24Å; Y69-L187 HydrophobicContact CD1-CB 4.39Å; Y69-L187 HydrophobicContact CD2-CD1 3.9Å; Y69-L187 HydrophobicContact CD2-CG 4.4Å; Y69-L187 HydrophobicContact CE1-CB 3.91Å; Y69-L187 HydrophobicContact CE1-CG 4.25Å; Y69-L187 HydrophobicContact CE2-CB 4.5Å; Y69-L187 HydrophobicContact CE2-CD1 3.92Å; Y69-L187 HydrophobicContact CE2-CG 3.94Å; Y69-L187 HydrophobicContact CG-CD1 4.22Å; Y69-L187 PolarHBondContact OH-N 2.9Å; Y69-V188 HydrophobicContact CE1-CG2 4.37Å
70	I	98.8	Very high	96.6	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.2	-179.8	-57.3	172.8	0	0	0	109.3	T101 V103 V154 G155 F156 Y169 L180	I70-T101 HydrophobicContact CG2-CG2 3.71Å; I70-V103 HydrophobicContact CG1-CG2 4.39Å; I70-V154 HydrophobicContact CD1-CG1 3.75Å; I70-V154 HydrophobicContact CG1-CG1 3.92Å; I70-G155 PolarHBondContact N-O 3.47Å; I70-F156 HydrophobicContact CB-CB 4.36Å; I70-Y169 HydrophobicContact CD1-CD1 4.09Å; I70-Y169 HydrophobicContact CD1-CE1 3.88Å; I70-Y169 HydrophobicContact CD1-CE2 4.35Å; I70-Y169 HydrophobicContact CD1-CG 4.44Å; I70-L180 HydrophobicContact CD1-CD1 4.32Å
71	I	98.5	Very high	96.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	88	-175.4	-49.6	165.7	0	0	0	108.3	L57 Y69 R88 R89 I92 A102 V104 V188	L57-I71 HydrophobicContact CD2-CD1 3.84Å; Y69-I71 HydrophobicContact CD1-CD1 4Å; Y69-I71 HydrophobicContact CD1-CG1 3.58Å; Y69-I71 HydrophobicContact CE1-CD1 4.5Å; Y69-I71 HydrophobicContact CE1-CG1 3.88Å; I71-R88 HydrophobicContact CG2-CB 4.28Å; I71-R89 HydrophobicContact CG2-CB 4.21Å; I71-I92 HydrophobicContact CD1-CG2 4.04Å; I71-I92 HydrophobicContact CG2-CG2 4.5Å; I71-A102 HydrophobicContact CB-CB 4.15Å; I71-A102 PolarHBondContact N-O 3.17Å; I71-A102 PolarHBondContact O-N 2.77Å; I71-V104 HydrophobicContact CD1-CG2 4.31Å; I71-V188 HydrophobicContact CD1-CG2 3.69Å; I71-V188 HydrophobicContact CG1-CG2 4.08Å; I71-V188 HydrophobicContact CG2-CG2 4.11Å
72	P	96.4	Very high	96	Very high	16 Å²	16	39.8 Å²	39.8	10%	0.104	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	168.7	176.4	34.1	-34.6	0	0	0	111.6	T74 T101 L160 L161	P72-T74 HydrophobicContact CB-CG2 4.26Å; P72-T74 HydrophobicContact CG-CG2 4Å; P72-T101 HydrophobicContact CB-CG2 4.5Å; P72-L160 HydrophobicContact CG-CB 3.68Å; P72-L160 WeakPolarHBondContact CG-O 3.35Å; P72-L161 HydrophobicContact CG-CD2 4.1Å
73	D	93.6	Very high	95.7	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.193	18%	0.182	C	C	.	.	S	Bend	trans	-98.3	78.3	175.4	-158.5	47.6	0	0	0	110	R89 S98 G100	D73-R89 IonicContact OD1-CZ 3.67Å; D73-R89 IonicContact OD1-NE 2.7Å; D73-R89 IonicContact OD1-NH1 3.3Å; D73-R89 IonicContact OD1-NH2 3.41Å; D73-R89 IonicContact OD2-CZ 3.67Å; D73-R89 IonicContact OD2-NH1 3.96Å; D73-R89 PolarHBondContact OD2-NH1 3.02Å; D73-R89 IonicContact OD2-NH2 3.32Å; D73-S98 VanDerWaalsContact OD2-C 3.27Å; D73-G100 WeakPolarHBondContact CB-O 3.33Å; D73-G100 PolarHBondContact N-O 3.46Å
74	T	94.9	Very high	95.5	Very high	18 Å²	18	36.2 Å²	36.2	11%	0.11	18%	0.184	C	C	.	.			trans	-158.4	170.1	179.7	-175.4	0	0	0	0	109.4	P72 L160 M330	P72-T74 HydrophobicContact CB-CG2 4.26Å; P72-T74 HydrophobicContact CG-CG2 4Å; T74-L160 HydrophobicContact CG2-CB 4.07Å; T74-L160 HydrophobicContact CG2-CD2 4.43Å; T74-L160 WeakPolarHBondContact CG2-O 3.23Å; T74-L160 WeakPolarHBondContact O-CD2 3.27Å; T74-M330 HydrophobicContact CG2-CE 3.99Å; T74-M330 WeakPolarHBondContact OG1-CE 3.41Å
75	D	96.1	Very high	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.			trans	-112.5	-172.6	170.1	69.4	11.1	0	0	0	112.4	H77 M78 N79 I82 D86 M330	D75-H77 PolarHBondContact O-N 3.03Å; D75-H77 VanDerWaalsContact O-N 3.07Å; D75-H77 WeakPolarHBondContact OD1-CA 3.31Å; D75-H77 PolarHBondContact OD1-N 3.26Å; D75-M78 PolarHBondContact O-N 2.83Å; D75-M78 PolarHBondContact OD1-N 3.34Å; D75-N79 PolarHBondContact OD1-N 3.35Å; D75-N79 VanDerWaalsContact OD1-N 3.1Å; D75-N79 PolarHBondContact OD1-ND2 3.43Å; D75-N79 WeakPolarHBondContact OD2-CB 3.35Å; D75-N79 PolarHBondContact OD2-ND2 3.02Å; D75-I82 HydrophobicContact CB-CG2 4.12Å; D75-D86 HydrophobicContact CB-CB 3.93Å; D75-M330 WeakPolarHBondContact O-CE 3.47Å
76	A	96.9	Very high	95.4	Very high	14 Å²	14	28 Å²	28	12%	0.116	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.5	-179	0	0	0	0	0	115.4	F159 Y265 M330	A76-F159 VanDerWaalsContact CA-O 3.3Å; A76-F159 WeakPolarHBondContact CA-O 3.35Å; A76-F159 HydrophobicContact CB-CB 4.09Å; A76-F159 HydrophobicContact CB-CD1 4.23Å; A76-Y265 PolarHBondContact O-OH 3.35Å; A76-M330 VanDerWaalsContact O-CG 3.24Å; A76-M330 WeakPolarHBondContact O-CG 3.46Å
77	H	97.2	Very high	95.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	3.8	-171.7	-60.6	-77	0	0	0	113.5	D75 N79 S240 L242 Y263 S264 Y265 Y305	D75-H77 PolarHBondContact O-N 3.03Å; D75-H77 VanDerWaalsContact O-N 3.07Å; D75-H77 WeakPolarHBondContact OD1-CA 3.31Å; D75-H77 PolarHBondContact OD1-N 3.26Å; H77-N79 PolarHBondContact O-N 3.06Å; H77-S240 PolarHBondContact ND1-O 3.22Å; H77-L242 HydrophobicContact CB-CD1 4.38Å; H77-L242 HydrophobicContact CB-CD2 4.05Å; H77-L242 HydrophobicContact CB-CG 3.79Å; H77-L242 VanDerWaalsContact CE1-CD2 3.42Å; H77-L242 WeakPolarHBondContact CE1-CD2 3.34Å; H77-L242 VanDerWaalsContact ND1-CD2 3.33Å; H77-L242 WeakPolarHBondContact ND1-CD2 3.39Å; H77-Y263 AromaticContact CD2-CD1 3.67Å; H77-Y263 AromaticContact NE2-CD1 3.78Å; H77-S264 PolarHBondContact CE1-O 2.95Å; H77-Y265 AromaticContact CE1-CD2 3.73Å; H77-Y265 AromaticContact CE1-CE1 3.91Å; H77-Y265 AromaticContact CE1-CE2 3.26Å; H77-Y265 WeakPolarHBondContact CE1-CE2 3.49Å; H77-Y265 AromaticContact CE1-CZ 3.36Å; H77-Y265 AromaticContact ND1-CZ 3.77Å; H77-Y265 AromaticContact NE2-CE2 3.94Å; H77-Y305 AromaticContact CE1-CE2 3.76Å; H77-Y305 AromaticContact NE2-CE2 3.41Å; H77-Y305 WeakPolarHBondContact NE2-CE2 3.43Å; H77-Y305 AromaticContact NE2-CZ 3.51Å; H77-Y305 PolarHBondContact NE2-OH 3.44Å
78	M	94.4	Very high	95.3	Very high	84 Å²	84	30.6 Å²	30.6	41%	0.414	15%	0.15	S	C	.	.			trans	58.9	36.8	-178.3	-157.8	165.1	168.3	0	0	111.8	D75 M330	D75-M78 PolarHBondContact O-N 2.83Å; D75-M78 PolarHBondContact OD1-N 3.34Å; M78-M330 HydrophobicContact CB-CE 3.52Å; M78-M330 HydrophobicContact CB-SD 4.46Å; M78-M330 HydrophobicContact CG-CE 4.03Å
79	N	93.4	Very high	95.3	Very high	18 Å²	18	30.7 Å²	30.7	10%	0.096	15%	0.15	C	C	.	.			trans	-66.6	142.8	172.4	-65.8	-54.8	0	0	0	109.7	D75 H77 Y81 L242 F261	D75-N79 PolarHBondContact OD1-N 3.35Å; D75-N79 VanDerWaalsContact OD1-N 3.1Å; D75-N79 PolarHBondContact OD1-ND2 3.43Å; D75-N79 WeakPolarHBondContact OD2-CB 3.35Å; D75-N79 PolarHBondContact OD2-ND2 3.02Å; H77-N79 PolarHBondContact O-N 3.06Å; N79-Y81 WeakPolarHBondContact CB-O 3.4Å; N79-L242 VanDerWaalsContact ND2-CD1 3.27Å; N79-L242 WeakPolarHBondContact ND2-CD1 3.42Å; N79-F261 WeakPolarHBondContact OD1-CE2 3.38Å
80	E	89.1	Confident	95.2	Very high	105 Å²	105	31.2 Å²	31.2	49%	0.491	16%	0.155	S	C	.	.	S	Bend	trans	-69.7	-48.3	175.7	178	-173.1	-168.4	0	0	111.8	H533	E80-H533 IonicContact OE1-CE1 2.65Å; E80-H533 PolarHBondContact OE1-CE1 3.14Å; E80-H533 VanDerWaalsContact OE1-CE1 3.28Å; E80-H533 IonicContact OE1-CG 3.33Å; E80-H533 IonicContact OE1-ND1 3.98Å; E80-H533 PolarHBondContact OE1-ND1 3.43Å; E80-H533 VanDerWaalsContact OE2-CB 3.31Å; E80-H533 WeakPolarHBondContact OE2-CB 3.3Å; E80-H533 IonicContact OE2-CE1 3.4Å; E80-H533 IonicContact OE2-CG 3.88Å; E80-H533 IonicContact OE2-ND1 3.23Å; E80-H533 PolarHBondContact OE2-ND1 3.31Å
81	Y	91.1	Very high	95.1	Very high	54 Å²	54	33.7 Å²	33.7	21%	0.212	16%	0.164	C	C	.	.	S	Bend	trans	-90.1	132.8	167.4	-58.9	-84.9	0	0	0	107.7	N79 I256 Y258 N259 F416	N79-Y81 WeakPolarHBondContact CB-O 3.4Å; Y81-I256 WeakPolarHBondContact O-CG2 3.39Å; Y81-Y258 AromaticContact CD1-CD2 3.91Å; Y81-Y258 HydrophobicContact CD1-CD2 3.91Å; Y81-Y258 HydrophobicContact CD1-CE2 4.2Å; Y81-Y258 HydrophobicContact CE1-CD2 4.12Å; Y81-Y258 HydrophobicContact CE1-CE2 4.37Å; Y81-Y258 HydrophobicContact CG-CD2 4.25Å; Y81-N259 WeakPolarHBondContact CD2-ND2 3.44Å; Y81-F416 HydrophobicContact CE1-CB 4.47Å; Y81-F416 WeakPolarHBondContact OH-CB 3.34Å
82	I	92.9	Very high	95.1	Very high	20 Å²	20	33.6 Å²	33.6	10%	0.103	16%	0.163	C	C	.	.			trans	-109.3	152.3	178.2	61.1	176.3	0	0	0	110.2	D75 D86 E87	D75-I82 HydrophobicContact CB-CG2 4.12Å; I82-D86 HydrophobicContact CB-CB 4.44Å; I82-E87 HydrophobicContact CD1-CG 4.03Å; I82-E87 HydrophobicContact CG1-CG 4.11Å
83	G	92.6	Very high	95.2	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.031	16%	0.158	C	C	.	.			trans	-73.1	154.6	171.8	0	0	0	0	0	111.3	H85 D86 E87	G83-H85 PolarHBondContact O-N 2.9Å; G83-D86 PolarHBondContact O-N 3.02Å; G83-E87 PolarHBondContact O-N 3.12Å
84	Q	92.9	Very high	95.4	Very high	129 Å²	129	31.4 Å²	31.4	60%	0.603	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-53.4	-28.9	176.7	-67.2	179.7	-15.1	0	0	113.7	D86 W192 P197	Q84-D86 PolarHBondContact O-N 3.4Å; Q84-W192 WeakPolarHBondContact O-CH2 3.43Å; Q84-P197 HydrophobicContact CB-CB 4.19Å; Q84-P197 HydrophobicContact CB-CG 4.1Å
85	H	94.9	Very high	95.4	Very high	36 Å²	36	30.6 Å²	30.6	17%	0.167	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-60.8	-28.3	174.1	-177.3	85.3	0	0	0	113.2	G83 R196 P197 V199	G83-H85 PolarHBondContact O-N 2.9Å; H85-R196 PolarHBondContact CD2-NH2 3.08Å; H85-R196 PolarHBondContact CE1-NE 2.79Å; H85-R196 PolarHBondContact NE2-NH1 2.86Å; H85-R196 PolarHBondContact NE2-NH2 3.12Å; H85-R196 VanDerWaalsContact O-CZ 3.27Å; H85-R196 PolarHBondContact O-NE 2.77Å; H85-R196 PolarHBondContact O-NH2 2.92Å; H85-P197 PolarHBondContact ND1-O 3.46Å; H85-V199 VanDerWaalsContact CE1-CG2 3.46Å; H85-V199 WeakPolarHBondContact CE1-CG2 3.47Å; H85-V199 WeakPolarHBondContact NE2-CG2 3.38Å
86	D	96.7	Very high	95.2	Very high	14 Å²	14	34.4 Å²	34.4	8%	0.075	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-106.7	0.7	-174	-69.2	-58	0	0	0	113.7	D75 I82 G83 Q84 R88 R196 Y263	D75-D86 HydrophobicContact CB-CB 3.93Å; I82-D86 HydrophobicContact CB-CB 4.44Å; G83-D86 PolarHBondContact O-N 3.02Å; Q84-D86 PolarHBondContact O-N 3.4Å; D86-R88 PolarHBondContact O-N 3.41Å; D86-R88 IonicContact OD1-CZ 3.67Å; D86-R88 IonicContact OD1-NH1 2.77Å; D86-R88 PolarHBondContact OD1-NH1 3.23Å; D86-R88 IonicContact OD1-NH2 3.1Å; D86-R196 IonicContact OD1-NH2 2.71Å; D86-Y263 PolarHBondContact OD2-OH 2.91Å
87	E	96.3	Very high	94.8	Very high	72 Å²	72	33.8 Å²	33.8	34%	0.336	17%	0.166	S	C	.	.			trans	-69.4	41.1	176.8	-71.9	178.1	-163	0	0	113.9	I82 G83 R89 A90 W91 W192	I82-E87 HydrophobicContact CD1-CG 4.03Å; I82-E87 HydrophobicContact CG1-CG 4.11Å; G83-E87 PolarHBondContact O-N 3.12Å; E87-R89 PolarHBondContact O-N 2.89Å; E87-A90 HydrophobicContact CB-CB 4.27Å; E87-A90 PolarHBondContact O-N 3.09Å; E87-W91 WeakPolarHBondContact O-CB 3.48Å; E87-W91 PolarHBondContact O-N 3.3Å; E87-W192 HydrophobicContact CB-CH2 4.46Å
88	R	97.9	Very high	94.2	Very high	16 Å²	16	37.2 Å²	37.2	6%	0.06	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-44.2	-175.4	-66.5	174	179.1	96.8	-10.3	112.5	I71 D86 W91 I92 N186 V188 D189 W192	I71-R88 HydrophobicContact CG2-CB 4.28Å; D86-R88 PolarHBondContact O-N 3.41Å; D86-R88 IonicContact OD1-CZ 3.67Å; D86-R88 IonicContact OD1-NH1 2.77Å; D86-R88 PolarHBondContact OD1-NH1 3.23Å; D86-R88 IonicContact OD1-NH2 3.1Å; R88-W91 PolarHBondContact O-N 2.89Å; R88-I92 WeakPolarHBondContact O-CB 3.36Å; R88-I92 VanDerWaalsContact O-CG2 3.27Å; R88-I92 WeakPolarHBondContact O-CG2 3.16Å; R88-I92 PolarHBondContact O-N 2.88Å; R88-N186 WeakPolarHBondContact CD-ND2 3.31Å; R88-N186 PolarHBondContact NE-ND2 2.84Å; R88-V188 HydrophobicContact CB-CB 4.2Å; R88-V188 HydrophobicContact CB-CG1 3.93Å; R88-V188 HydrophobicContact CB-CG2 4.48Å; R88-V188 HydrophobicContact CG-CB 4.34Å; R88-V188 HydrophobicContact CG-CG1 4.25Å; R88-D189 IonicContact CZ-OD1 3.25Å; R88-D189 IonicContact CZ-OD2 3.73Å; R88-D189 IonicContact NE-OD1 2.72Å; R88-D189 PolarHBondContact NE-OD1 3.43Å; R88-D189 IonicContact NE-OD2 3.8Å; R88-D189 PolarHBondContact NE-OD2 2.77Å; R88-D189 IonicContact NH2-OD1 3.47Å; R88-D189 IonicContact NH2-OD2 3.42Å; R88-D189 PolarHBondContact NH2-OD2 3.11Å; R88-W192 HydrophobicContact CG-CZ3 4.3Å
89	R	97.8	Very high	94	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.011	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-46.1	178.2	-171.5	-136	62	-149.4	-9.6	110.1	I71 D73 E87 W91 I92 T93 F95 G97 A102	I71-R89 HydrophobicContact CG2-CB 4.21Å; D73-R89 IonicContact OD1-CZ 3.67Å; D73-R89 IonicContact OD1-NE 2.7Å; D73-R89 IonicContact OD1-NH1 3.3Å; D73-R89 IonicContact OD1-NH2 3.41Å; D73-R89 IonicContact OD2-CZ 3.67Å; D73-R89 IonicContact OD2-NH1 3.96Å; D73-R89 PolarHBondContact OD2-NH1 3.02Å; D73-R89 IonicContact OD2-NH2 3.32Å; E87-R89 PolarHBondContact O-N 2.89Å; R89-W91 PolarHBondContact O-N 3.28Å; R89-I92 PolarHBondContact O-N 3.08Å; R89-T93 HydrophobicContact CG-CG2 4.22Å; R89-T93 WeakPolarHBondContact O-CB 3.47Å; R89-T93 VanDerWaalsContact O-CG2 3.25Å; R89-T93 WeakPolarHBondContact O-CG2 3.27Å; R89-T93 PolarHBondContact O-N 3.36Å; R89-T93 VanDerWaalsContact O-N 3.08Å; R89-T93 PolarHBondContact O-OG1 3.16Å; R89-F95 PolarHBondContact NE-O 2.82Å; R89-F95 PolarHBondContact NH2-O 2.89Å; R89-G97 PolarHBondContact NH1-O 3.24Å; R89-G97 PolarHBondContact NH2-O 2.77Å; R89-A102 HydrophobicContact CG-CB 3.76Å
90	A	96.9	Very high	94.1	Very high	12 Å²	12	34.1 Å²	34.1	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-44.7	177.6	0	0	0	0	0	112	E87 G94 F95 T96	E87-A90 HydrophobicContact CB-CB 4.27Å; E87-A90 PolarHBondContact O-N 3.09Å; A90-G94 CarbonylContact O-C 3.54Å; A90-G94 VanDerWaalsContact O-CA 3.24Å; A90-G94 WeakPolarHBondContact O-CA 3.43Å; A90-G94 PolarHBondContact O-N 3.35Å; A90-F95 WeakPolarHBondContact CA-O 3.2Å; A90-F95 WeakPolarHBondContact CB-O 3.25Å; A90-T96 HydrophobicContact CB-CG2 4.4Å
91	W	97.6	Very high	94.5	Very high	53 Å²	53	30.6 Å²	30.6	20%	0.201	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-46.8	178.1	-178.4	80.5	0	0	0	113.4	E87 R88 R89 T93 V188 V191 W192	E87-W91 WeakPolarHBondContact O-CB 3.48Å; E87-W91 PolarHBondContact O-N 3.3Å; R88-W91 PolarHBondContact O-N 2.89Å; R89-W91 PolarHBondContact O-N 3.28Å; W91-T93 PolarHBondContact O-N 3.19Å; W91-V188 HydrophobicContact CE3-CG1 3.63Å; W91-V188 HydrophobicContact CZ3-CG1 3.9Å; W91-V191 HydrophobicContact CH2-CB 4.4Å; W91-V191 HydrophobicContact CH2-CG1 3.96Å; W91-V191 HydrophobicContact CZ3-CB 4.44Å; W91-V191 HydrophobicContact CZ3-CG1 4.27Å; W91-W192 HydrophobicContact CB-CD2 4.16Å; W91-W192 HydrophobicContact CB-CE3 4.06Å; W91-W192 HydrophobicContact CB-CH2 3.68Å; W91-W192 HydrophobicContact CB-CZ2 3.78Å; W91-W192 HydrophobicContact CB-CZ3 3.83Å; W91-W192 AromaticContact CD1-CD1 3.86Å; W91-W192 AromaticContact CD1-CD2 3.88Å; W91-W192 AromaticContact CD1-CE2 3.26Å; W91-W192 AromaticContact CD1-CZ2 3.52Å; W91-W192 AromaticContact CD1-NE1 3.29Å; W91-W192 VanDerWaalsContact CD1-NE1 3.29Å; W91-W192 HydrophobicContact CD2-CB 4.15Å; W91-W192 AromaticContact CD2-CD1 3.85Å; W91-W192 AromaticContact CD2-CD2 3.61Å; W91-W192 HydrophobicContact CD2-CD2 3.61Å; W91-W192 AromaticContact CD2-CE2 3.86Å; W91-W192 HydrophobicContact CD2-CE3 4.11Å; W91-W192 AromaticContact CD2-CG 3.64Å; W91-W192 HydrophobicContact CD2-CG 3.64Å; W91-W192 AromaticContact CE2-CD1 3.31Å; W91-W192 AromaticContact CE2-CD2 3.93Å; W91-W192 AromaticContact CE2-CE2 3.97Å; W91-W192 AromaticContact CE2-CG 3.54Å; W91-W192 AromaticContact CE2-NE1 3.62Å; W91-W192 HydrophobicContact CE3-CB 4.02Å; W91-W192 HydrophobicContact CE3-CD2 4.1Å; W91-W192 HydrophobicContact CE3-CE3 4.32Å; W91-W192 HydrophobicContact CE3-CG 4Å; W91-W192 AromaticContact CG-CD2 3.61Å; W91-W192 HydrophobicContact CG-CD2 3.61Å; W91-W192 AromaticContact CG-CE2 3.42Å; W91-W192 VanDerWaalsContact CG-CE2 3.42Å; W91-W192 AromaticContact CG-CE3 3.98Å; W91-W192 HydrophobicContact CG-CE3 3.98Å; W91-W192 HydrophobicContact CG-CG 4.1Å; W91-W192 HydrophobicContact CG-CH2 4.04Å; W91-W192 AromaticContact CG-CZ2 3.65Å; W91-W192 HydrophobicContact CG-CZ2 3.65Å; W91-W192 HydrophobicContact CG-CZ3 4.19Å; W91-W192 AromaticContact CG-NE1 3.82Å; W91-W192 HydrophobicContact CH2-CB 3.8Å; W91-W192 HydrophobicContact CH2-CG 4.17Å; W91-W192 HydrophobicContact CZ2-CB 3.94Å; W91-W192 AromaticContact CZ2-CD1 3.63Å; W91-W192 AromaticContact CZ2-CG 3.84Å; W91-W192 HydrophobicContact CZ2-CG 3.84Å; W91-W192 HydrophobicContact CZ3-CB 3.83Å; W91-W192 HydrophobicContact CZ3-CG 4.24Å; W91-W192 AromaticContact NE1-CD1 3.31Å; W91-W192 VanDerWaalsContact NE1-CD1 3.31Å; W91-W192 AromaticContact NE1-CE2 3.6Å; W91-W192 AromaticContact NE1-CG 3.91Å; W91-W192 AromaticContact NE1-NE1 3.13Å; W91-W192 VanDerWaalsContact NE1-NE1 3.13Å
92	I	98.4	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-74.5	-24.9	-176.1	-163.9	60.7	0	0	0	113.2	T50 L57 I71 R88 R89 W129 V188	T50-I92 WeakPolarHBondContact CB-O 3.25Å; T50-I92 VanDerWaalsContact CG2-O 3.27Å; T50-I92 WeakPolarHBondContact CG2-O 3.43Å; L57-I92 HydrophobicContact CB-CD1 4.49Å; L57-I92 HydrophobicContact CD2-CD1 4.27Å; L57-I92 HydrophobicContact CD2-CG1 4.09Å; I71-I92 HydrophobicContact CD1-CG2 4.04Å; I71-I92 HydrophobicContact CG2-CG2 4.5Å; R88-I92 WeakPolarHBondContact O-CB 3.36Å; R88-I92 VanDerWaalsContact O-CG2 3.27Å; R88-I92 WeakPolarHBondContact O-CG2 3.16Å; R88-I92 PolarHBondContact O-N 2.88Å; R89-I92 PolarHBondContact O-N 3.08Å; I92-W129 HydrophobicContact CG1-CZ2 4.19Å; I92-W129 HydrophobicContact CG2-CH2 4.25Å; I92-W129 HydrophobicContact CG2-CZ2 4.31Å; I92-W129 VanDerWaalsContact O-CZ2 3.31Å; I92-W129 WeakPolarHBondContact O-CZ2 3.08Å; I92-V188 HydrophobicContact CB-CG1 4.36Å
93	T	98.3	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-104.9	-23.9	-175.9	63.9	0	0	0	0	114.4	R89 W91 F95 A102 V111 W129	R89-T93 HydrophobicContact CG-CG2 4.22Å; R89-T93 WeakPolarHBondContact O-CB 3.47Å; R89-T93 VanDerWaalsContact O-CG2 3.25Å; R89-T93 WeakPolarHBondContact O-CG2 3.27Å; R89-T93 PolarHBondContact O-N 3.36Å; R89-T93 VanDerWaalsContact O-N 3.08Å; R89-T93 PolarHBondContact O-OG1 3.16Å; W91-T93 PolarHBondContact O-N 3.19Å; T93-F95 PolarHBondContact O-N 2.85Å; T93-F95 WeakPolarHBondContact OG1-CB 3.43Å; T93-F95 PolarHBondContact OG1-N 3.29Å; T93-A102 HydrophobicContact CG2-CB 3.77Å; T93-V111 HydrophobicContact CG2-CG2 3.62Å; T93-W129 HydrophobicContact CG2-CD2 4.04Å; T93-W129 HydrophobicContact CG2-CE3 3.97Å; T93-W129 HydrophobicContact CG2-CH2 3.56Å; T93-W129 HydrophobicContact CG2-CZ2 3.63Å; T93-W129 HydrophobicContact CG2-CZ3 3.74Å
94	G	96	Very high	95.4	Very high	7 Å²	7	26.9 Å²	26.9	7%	0.072	15%	0.151	C	C	.	.	S	Bend	trans	79.1	-12.3	-164.1	0	0	0	0	0	114.7	A90 Q124	A90-G94 CarbonylContact O-C 3.54Å; A90-G94 VanDerWaalsContact O-CA 3.24Å; A90-G94 WeakPolarHBondContact O-CA 3.43Å; A90-G94 PolarHBondContact O-N 3.35Å; G94-Q124 WeakPolarHBondContact O-CB 3.4Å
95	F	95.5	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.			trans	-85.5	121.5	-176.3	166	-118.7	0	0	0	111.9	R89 A90 T93 G97 A99 V111 T113 Y117 Q120 A121 M125	R89-F95 PolarHBondContact NE-O 2.82Å; R89-F95 PolarHBondContact NH2-O 2.89Å; A90-F95 WeakPolarHBondContact CA-O 3.2Å; A90-F95 WeakPolarHBondContact CB-O 3.25Å; T93-F95 PolarHBondContact O-N 2.85Å; T93-F95 WeakPolarHBondContact OG1-CB 3.43Å; T93-F95 PolarHBondContact OG1-N 3.29Å; F95-G97 VanDerWaalsContact CE2-N 3.35Å; F95-A99 WeakPolarHBondContact CE1-O 3.44Å; F95-V111 HydrophobicContact CD1-CG1 3.97Å; F95-V111 HydrophobicContact CE1-CG1 4.25Å; F95-T113 HydrophobicContact CE1-CG2 4.3Å; F95-T113 HydrophobicContact CZ-CG2 4.05Å; F95-Y117 HydrophobicContact CE2-CG 4.35Å; F95-Y117 HydrophobicContact CZ-CD1 4.48Å; F95-Y117 AromaticContact CZ-CG 3.96Å; F95-Y117 HydrophobicContact CZ-CG 3.96Å; F95-Q120 HydrophobicContact CD2-CG 4.31Å; F95-Q120 HydrophobicContact CE2-CB 4.41Å; F95-Q120 HydrophobicContact CE2-CG 4.1Å; F95-A121 HydrophobicContact CD2-CB 3.78Å; F95-A121 HydrophobicContact CE2-CB 3.89Å; F95-A121 HydrophobicContact CG-CB 4.28Å; F95-A121 HydrophobicContact CZ-CB 4.48Å; F95-M125 HydrophobicContact CB-CG 3.67Å; F95-M125 HydrophobicContact CB-SD 4.03Å
96	T	91.8	Very high	95.8	Very high	80 Å²	80	22.2 Å²	22.2	49%	0.491	13%	0.131	S	C	.	.			trans	-107.2	12.6	-171.3	66.6	0	0	0	0	114.6	A90 Q120 Q124	A90-T96 HydrophobicContact CB-CG2 4.4Å; T96-Q120 PolarHBondContact OG1-NE2 2.98Å; T96-Q124 PolarHBondContact OG1-NE2 3.05Å; T96-Q124 PolarHBondContact OG1-OE1 3.39Å
97	G	88.1	Confident	95.8	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	17%	0.165	C	C	.	.			trans	-67.4	147.7	176.3	0	0	0	0	0	111.4	R89 F95 A99	R89-G97 PolarHBondContact NH1-O 3.24Å; R89-G97 PolarHBondContact NH2-O 2.77Å; F95-G97 VanDerWaalsContact CE2-N 3.35Å; G97-A99 PolarHBondContact O-N 2.93Å; G97-A99 VanDerWaalsContact O-N 3.09Å
98	S	86.2	Confident	95.9	Very high	73 Å²	73	30.2 Å²	30.2	51%	0.51	16%	0.163	S	C	.	.	S	Bend	trans	-77.4	7.3	-174	62.8	0	0	0	0	115.2	D73 Y117	D73-S98 VanDerWaalsContact OD2-C 3.27Å; S98-Y117 PolarHBondContact OG-OH 2.81Å
99	A	89.9	Confident	96	Very high	23 Å²	23	29.5 Å²	29.5	19%	0.19	16%	0.161	C	C	.	.	S	Bend	trans	-138.3	133.2	174.5	0	0	0	0	0	111	F95 G97 T113 D114 Y117	F95-A99 WeakPolarHBondContact CE1-O 3.44Å; G97-A99 PolarHBondContact O-N 2.93Å; G97-A99 VanDerWaalsContact O-N 3.09Å; A99-T113 WeakPolarHBondContact O-CB 3.3Å; A99-T113 PolarHBondContact O-OG1 3.37Å; A99-D114 WeakPolarHBondContact CB-OD2 3.19Å; A99-Y117 HydrophobicContact CB-CD2 4.13Å; A99-Y117 HydrophobicContact CB-CE2 3.79Å
100	G	94.3	Very high	96	Very high	15 Å²	15	29.3 Å²	29.3	16%	0.155	16%	0.16	C	C	.	.			trans	160.3	166.8	165.9	0	0	0	0	0	113.4	D73 W112	D73-G100 WeakPolarHBondContact CB-O 3.33Å; D73-G100 PolarHBondContact N-O 3.46Å; G100-W112 CarbonylContact C-O 3.53Å; G100-W112 WeakPolarHBondContact CA-O 3.3Å
101	T	98.1	Very high	96.1	Very high	30 Å²	30	28.8 Å²	28.8	18%	0.184	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.3	173.6	-58.8	0	0	0	0	108.8	I70 P72 V103 V111 W112 I140	I70-T101 HydrophobicContact CG2-CG2 3.71Å; P72-T101 HydrophobicContact CB-CG2 4.5Å; T101-V103 HydrophobicContact CG2-CG2 4.3Å; T101-V111 WeakPolarHBondContact O-CA 3.4Å; T101-W112 PolarHBondContact N-O 3.38Å; T101-W112 PolarHBondContact O-N 2.91Å; T101-I140 HydrophobicContact CG2-CD1 3.95Å
102	A	98.6	Very high	96.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.7	171.2	0	0	0	0	0	109.9	I71 R89 T93 A110 V111 W129	I71-A102 HydrophobicContact CB-CB 4.15Å; I71-A102 PolarHBondContact N-O 3.17Å; I71-A102 PolarHBondContact O-N 2.77Å; R89-A102 HydrophobicContact CG-CB 3.76Å; T93-A102 HydrophobicContact CG2-CB 3.77Å; A102-A110 CarbonylContact C-O 3.55Å; A102-A110 VanDerWaalsContact CA-O 3.31Å; A102-A110 WeakPolarHBondContact CA-O 3.42Å; A102-V111 HydrophobicContact CB-CG2 4.12Å; A102-W129 HydrophobicContact CB-CH2 4.04Å; A102-W129 HydrophobicContact CB-CZ3 3.73Å
103	V	98.8	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.7	173.4	-173.9	0	0	0	0	109.1	A68 Y69 I70 T101 A109 A110 W112 I140 W143 L144	A68-V103 HydrophobicContact CB-CG1 4.48Å; Y69-V103 WeakPolarHBondContact O-CA 3.41Å; I70-V103 HydrophobicContact CG1-CG2 4.39Å; T101-V103 HydrophobicContact CG2-CG2 4.3Å; V103-A109 WeakPolarHBondContact O-CA 3.23Å; V103-A110 PolarHBondContact N-O 2.67Å; V103-A110 PolarHBondContact O-N 3.38Å; V103-W112 HydrophobicContact CB-CH2 4.31Å; V103-W112 HydrophobicContact CB-CZ3 3.71Å; V103-W112 HydrophobicContact CG2-CE3 4.17Å; V103-W112 HydrophobicContact CG2-CH2 4.4Å; V103-W112 HydrophobicContact CG2-CZ3 3.65Å; V103-I140 HydrophobicContact CG2-CG2 3.74Å; V103-W143 HydrophobicContact CB-CZ3 4.18Å; V103-W143 HydrophobicContact CG1-CE3 4.45Å; V103-W143 HydrophobicContact CG1-CZ3 3.77Å; V103-L144 HydrophobicContact CG1-CD2 3.75Å; V103-L144 HydrophobicContact CG1-CG 4.5Å
104	V	98.8	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.5	179.5	177.4	0	0	0	0	108.9	L54 L57 R58 M61 A68 Y69 I71 A109 W129	L54-V104 HydrophobicContact CD1-CB 4.3Å; L54-V104 HydrophobicContact CD1-CG1 3.59Å; L54-V104 HydrophobicContact CD1-CG2 3.67Å; L57-V104 HydrophobicContact CD2-CB 4.12Å; L57-V104 HydrophobicContact CD2-CG1 4.23Å; L57-V104 HydrophobicContact CD2-CG2 3.82Å; R58-V104 HydrophobicContact CG-CG1 4.14Å; M61-V104 HydrophobicContact CE-CG1 4.47Å; M61-V104 WeakPolarHBondContact CE-O 3.44Å; M61-V104 HydrophobicContact SD-CB 4.3Å; M61-V104 HydrophobicContact SD-CG1 3.86Å; A68-V104 CarbonylContact C-O 3.57Å; A68-V104 WeakPolarHBondContact CA-O 3.08Å; A68-V104 WeakPolarHBondContact CB-O 3.47Å; Y69-V104 PolarHBondContact N-O 2.77Å; Y69-V104 PolarHBondContact O-N 3.14Å; I71-V104 HydrophobicContact CD1-CG2 4.31Å; V104-A109 HydrophobicContact CG2-CB 4.18Å; V104-W129 HydrophobicContact CG2-CH2 3.56Å; V104-W129 HydrophobicContact CG2-CZ2 4.4Å; V104-W129 HydrophobicContact CG2-CZ3 4.06Å
105	T	98.7	Very high	94.8	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	176.2	166.8	73	0	0	0	0	109.6	R58 S67 A68 K107 K108 W143 E147 I148	R58-T105 PolarHBondContact NE-O 3.29Å; S67-T105 WeakPolarHBondContact O-CA 3.35Å; A68-T105 HydrophobicContact CB-CG2 4.07Å; T105-K107 PolarHBondContact O-N 3.29Å; T105-K107 PolarHBondContact OG1-N 3.11Å; T105-K108 PolarHBondContact N-O 3.09Å; T105-K108 PolarHBondContact OG1-N 3.19Å; T105-K108 PolarHBondContact OG1-O 3.41Å; T105-W143 HydrophobicContact CG2-CH2 3.47Å; T105-W143 VanDerWaalsContact CG2-CH2 3.47Å; T105-W143 HydrophobicContact CG2-CZ3 3.45Å; T105-W143 VanDerWaalsContact CG2-CZ3 3.45Å; T105-E147 HydrophobicContact CG2-CB 4.08Å; T105-I148 HydrophobicContact CG2-CD1 4.48Å; T105-I148 HydrophobicContact CG2-CG1 4.22Å
106	M	97.9	Very high	93.9	Very high	63 Å²	63	36.9 Å²	36.9	31%	0.31	20%	0.199	S	C	.	.	S	Bend	trans	-59.5	-16.2	173.4	-65.3	-48.8	-54.4	0	0	114.4	R58 M61 Q62 S67	R58-M106 HydrophobicContact CB-CE 4.19Å; M61-M106 HydrophobicContact CB-SD 4.21Å; M61-M106 HydrophobicContact CE-SD 3.98Å; Q62-M106 HydrophobicContact CG-CE 3.4Å; Q62-M106 VanDerWaalsContact CG-CE 3.4Å; Q62-M106 HydrophobicContact CG-SD 4.24Å; S67-M106 PolarHBondContact O-N 3.37Å
107	K	96.8	Very high	93.6	Very high	185 Å²	185	33.7 Å²	33.7	80%	0.804	18%	0.178	S	C	*	.	S	Bend	trans	-128.6	-28.9	-174.9	-63.1	-176.9	-178.1	177.5	0	114.8	R58 T105	R58-K107 VanDerWaalsContact NH2-C 3.31Å; R58-K107 PolarHBondContact NH2-O 3.18Å; T105-K107 PolarHBondContact O-N 3.29Å; T105-K107 PolarHBondContact OG1-N 3.11Å
108	K	98.3	Very high	93.6	Very high	68 Å²	68	37.5 Å²	37.5	30%	0.296	19%	0.192	S	C	.	.			trans	-126.4	167.2	-175.7	-63.1	-169.2	-178.6	-179.8	0	111.7	R58 T105 E130 W143 E147	R58-K108 VanDerWaalsContact NH2-C 3.32Å; R58-K108 PolarHBondContact NH2-O 3.45Å; R58-K108 VanDerWaalsContact NH2-O 3.12Å; T105-K108 PolarHBondContact N-O 3.09Å; T105-K108 PolarHBondContact OG1-N 3.19Å; T105-K108 PolarHBondContact OG1-O 3.41Å; K108-E130 WeakPolarHBondContact CD-OE1 3.31Å; K108-E130 IonicContact NZ-OE1 3.59Å; K108-W143 HydrophobicContact CB-CH2 4.19Å; K108-W143 HydrophobicContact CB-CZ2 3.85Å; K108-W143 HydrophobicContact CD-CZ2 4.26Å; K108-E147 HydrophobicContact CD-CG 4.34Å; K108-E147 WeakPolarHBondContact CD-OE2 3.36Å; K108-E147 WeakPolarHBondContact CE-OE2 3.49Å; K108-E147 VanDerWaalsContact NZ-CD 3.26Å; K108-E147 IonicContact NZ-OE1 3.83Å; K108-E147 PolarHBondContact NZ-OE1 3.3Å; K108-E147 IonicContact NZ-OE2 3.86Å; K108-E147 PolarHBondContact NZ-OE2 3.07Å
109	A	98.7	Very high	93.4	Very high	1 Å²	1	38 Å²	38	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	139.3	171.8	0	0	0	0	0	108.4	L54 V103 V104 W129 E130	L54-A109 HydrophobicContact CD1-CB 3.97Å; L54-A109 HydrophobicContact CD2-CB 3.94Å; V103-A109 WeakPolarHBondContact O-CA 3.23Å; V104-A109 HydrophobicContact CG2-CB 4.18Å; A109-W129 HydrophobicContact CB-CD2 3.82Å; A109-W129 HydrophobicContact CB-CE3 3.56Å; A109-W129 HydrophobicContact CB-CH2 4.01Å; A109-W129 HydrophobicContact CB-CZ2 4.22Å; A109-W129 HydrophobicContact CB-CZ3 3.67Å; A109-W129 WeakPolarHBondContact O-CA 3.4Å; A109-E130 PolarHBondContact O-N 2.9Å
110	A	98.6	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148.6	-174	0	0	0	0	0	111.2	A102 V103 W112 E130 W143	A102-A110 CarbonylContact C-O 3.55Å; A102-A110 VanDerWaalsContact CA-O 3.31Å; A102-A110 WeakPolarHBondContact CA-O 3.42Å; V103-A110 PolarHBondContact N-O 2.67Å; V103-A110 PolarHBondContact O-N 3.38Å; A110-W112 HydrophobicContact CB-CE3 4.2Å; A110-W112 HydrophobicContact CB-CH2 3.33Å; A110-W112 HydrophobicContact CB-CZ2 4.23Å; A110-W112 HydrophobicContact CB-CZ3 3.31Å; A110-E130 CarbonylContact C-O 3.52Å; A110-E130 VanDerWaalsContact CA-O 3.26Å; A110-E130 WeakPolarHBondContact CA-O 3.41Å; A110-E130 HydrophobicContact CB-CB 4.07Å; A110-W143 HydrophobicContact CB-CH2 4.15Å; A110-W143 HydrophobicContact CB-CZ2 3.76Å
111	V	98.5	Very high	93.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.9	174	178.3	0	0	0	0	109.4	T93 F95 T101 A102 M125 W129 E130 H132	T93-V111 HydrophobicContact CG2-CG2 3.62Å; F95-V111 HydrophobicContact CD1-CG1 3.97Å; F95-V111 HydrophobicContact CE1-CG1 4.25Å; T101-V111 WeakPolarHBondContact O-CA 3.4Å; A102-V111 HydrophobicContact CB-CG2 4.12Å; V111-M125 HydrophobicContact CB-CE 4.42Å; V111-M125 HydrophobicContact CB-SD 3.88Å; V111-M125 HydrophobicContact CG1-SD 4.45Å; V111-M125 HydrophobicContact CG2-SD 3.55Å; V111-M125 VanDerWaalsContact CG2-SD 3.55Å; V111-W129 HydrophobicContact CG2-CD2 4.27Å; V111-W129 HydrophobicContact CG2-CE3 3.57Å; V111-W129 HydrophobicContact CG2-CZ3 3.99Å; V111-E130 PolarHBondContact N-O 3.49Å; V111-H132 PolarHBondContact O-N 3.25Å
112	W	98.2	Very high	92.8	Very high	6 Å²	6	40.1 Å²	40.1	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.5	170.2	-70.1	-101.8	0	0	0	109	G100 T101 V103 A110 H132 I140 W143	G100-W112 CarbonylContact C-O 3.53Å; G100-W112 WeakPolarHBondContact CA-O 3.3Å; T101-W112 PolarHBondContact N-O 3.38Å; T101-W112 PolarHBondContact O-N 2.91Å; V103-W112 HydrophobicContact CB-CH2 4.31Å; V103-W112 HydrophobicContact CB-CZ3 3.71Å; V103-W112 HydrophobicContact CG2-CE3 4.17Å; V103-W112 HydrophobicContact CG2-CH2 4.4Å; V103-W112 HydrophobicContact CG2-CZ3 3.65Å; A110-W112 HydrophobicContact CB-CE3 4.2Å; A110-W112 HydrophobicContact CB-CH2 3.33Å; A110-W112 HydrophobicContact CB-CZ2 4.23Å; A110-W112 HydrophobicContact CB-CZ3 3.31Å; W112-H132 WeakPolarHBondContact CA-O 3.49Å; W112-H132 AromaticContact CD1-CG 3.99Å; W112-H132 HydrophobicContact CD2-CB 3.93Å; W112-H132 AromaticContact CE2-CD2 3.8Å; W112-H132 AromaticContact CE2-CG 3.57Å; W112-H132 HydrophobicContact CG-CB 3.7Å; W112-H132 HydrophobicContact CZ2-CB 4.41Å; W112-H132 AromaticContact CZ2-CD2 3.71Å; W112-H132 AromaticContact CZ2-CG 3.85Å; W112-H132 AromaticContact CZ2-NE2 3.92Å; W112-H132 AromaticContact NE1-CG 3.46Å; W112-H132 AromaticContact NE1-ND1 3.81Å; W112-I140 HydrophobicContact CB-CD1 4.37Å; W112-I140 HydrophobicContact CB-CG1 4.4Å; W112-I140 HydrophobicContact CD2-CD1 4.2Å; W112-I140 HydrophobicContact CD2-CG1 3.48Å; W112-I140 VanDerWaalsContact CD2-CG1 3.48Å; W112-I140 HydrophobicContact CE3-CD1 4.36Å; W112-I140 HydrophobicContact CE3-CG1 3.86Å; W112-I140 HydrophobicContact CG-CD1 4.2Å; W112-I140 HydrophobicContact CG-CG1 3.72Å; W112-I140 HydrophobicContact CZ2-CG1 4.27Å; W112-I140 HydrophobicContact CZ3-CG1 4.4Å; W112-W143 HydrophobicContact CH2-CB 4.22Å; W112-W143 AromaticContact CH2-CD2 3.62Å; W112-W143 HydrophobicContact CH2-CD2 3.62Å; W112-W143 AromaticContact CH2-CE3 3.69Å; W112-W143 HydrophobicContact CH2-CE3 3.69Å; W112-W143 AromaticContact CH2-CG 3.88Å; W112-W143 HydrophobicContact CH2-CG 3.88Å; W112-W143 HydrophobicContact CH2-CZ3 4.19Å; W112-W143 HydrophobicContact CZ2-CB 3.72Å; W112-W143 AromaticContact CZ2-CD2 3.99Å; W112-W143 HydrophobicContact CZ2-CD2 3.99Å; W112-W143 HydrophobicContact CZ2-CE3 4.37Å; W112-W143 AromaticContact CZ2-CG 3.72Å; W112-W143 HydrophobicContact CZ2-CG 3.72Å
113	T	94.6	Very high	92.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	21%	0.209	C	C	.	.			trans	-147	158.2	174.4	-169.5	0	0	0	0	111	F95 A99 Y117 W118 A121 L131 H132	F95-T113 HydrophobicContact CE1-CG2 4.3Å; F95-T113 HydrophobicContact CZ-CG2 4.05Å; A99-T113 WeakPolarHBondContact O-CB 3.3Å; A99-T113 PolarHBondContact O-OG1 3.37Å; T113-Y117 WeakPolarHBondContact OG1-CD2 3.38Å; T113-W118 PolarHBondContact O-NE1 3.37Å; T113-A121 HydrophobicContact CG2-CB 4.39Å; T113-L131 HydrophobicContact CG2-CD1 3.87Å; T113-H132 PolarHBondContact N-O 2.98Å
114	D	88.2	Confident	92	Very high	31 Å²	31	46.3 Å²	46.3	17%	0.166	22%	0.217	C	C	.	.			trans	-81.8	175	-177.7	66.5	72.9	0	0	0	112.5	A99 R116 Y117 W118 V135	A99-D114 WeakPolarHBondContact CB-OD2 3.19Å; D114-R116 PolarHBondContact O-N 3.19Å; D114-R116 WeakPolarHBondContact OD1-CB 3.44Å; D114-R116 WeakPolarHBondContact OD1-CG 3.43Å; D114-R116 IonicContact OD1-CZ 3.37Å; D114-R116 PolarHBondContact OD1-N 3.44Å; D114-R116 IonicContact OD1-NE 3.68Å; D114-R116 PolarHBondContact OD1-NE 2.93Å; D114-R116 IonicContact OD1-NH2 2.68Å; D114-R116 IonicContact OD2-CZ 2.92Å; D114-R116 IonicContact OD2-NE 3.78Å; D114-R116 PolarHBondContact OD2-NE 3.47Å; D114-R116 IonicContact OD2-NH2 3.11Å; D114-R116 PolarHBondContact OD2-NH2 3.14Å; D114-Y117 PolarHBondContact O-N 3.4Å; D114-W118 VanDerWaalsContact C-NE1 3.27Å; D114-W118 PolarHBondContact O-NE1 3.49Å; D114-V135 HydrophobicContact CB-CG1 3.92Å
115	S	81.4	Confident	91.9	Very high	83 Å²	83	46.3 Å²	46.3	58%	0.58	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.2	-171.9	57.7	0	0	0	0	115	Y117	S115-Y117 PolarHBondContact O-N 2.8Å
116	R	77.8	Confident	91.8	Very high	110 Å²	110	46.3 Å²	46.3	42%	0.415	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.8	174.9	-62.1	173.6	-68.3	172.1	2.6	111.8	D114 H430	D114-R116 PolarHBondContact O-N 3.19Å; D114-R116 WeakPolarHBondContact OD1-CB 3.44Å; D114-R116 WeakPolarHBondContact OD1-CG 3.43Å; D114-R116 IonicContact OD1-CZ 3.37Å; D114-R116 PolarHBondContact OD1-N 3.44Å; D114-R116 IonicContact OD1-NE 3.68Å; D114-R116 PolarHBondContact OD1-NE 2.93Å; D114-R116 IonicContact OD1-NH2 2.68Å; D114-R116 IonicContact OD2-CZ 2.92Å; D114-R116 IonicContact OD2-NE 3.78Å; D114-R116 PolarHBondContact OD2-NE 3.47Å; D114-R116 IonicContact OD2-NH2 3.11Å; D114-R116 PolarHBondContact OD2-NH2 3.14Å; R116-H430 PolarHBondContact NH1-CE1 2.87Å; R116-H430 PolarHBondContact NH1-ND1 3.21Å
117	Y	85.4	Confident	91.8	Very high	12 Å²	12	45.7 Å²	45.7	5%	0.047	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	0.9	-165.6	-58.1	-65.2	0	0	0	115.6	F95 S98 A99 T113 D114 S115 T119 Q120 A121 H430	F95-Y117 HydrophobicContact CE2-CG 4.35Å; F95-Y117 HydrophobicContact CZ-CD1 4.48Å; F95-Y117 AromaticContact CZ-CG 3.96Å; F95-Y117 HydrophobicContact CZ-CG 3.96Å; S98-Y117 PolarHBondContact OG-OH 2.81Å; A99-Y117 HydrophobicContact CB-CD2 4.13Å; A99-Y117 HydrophobicContact CB-CE2 3.79Å; T113-Y117 WeakPolarHBondContact OG1-CD2 3.38Å; D114-Y117 PolarHBondContact O-N 3.4Å; S115-Y117 PolarHBondContact O-N 2.8Å; Y117-T119 PolarHBondContact O-N 2.9Å; Y117-Q120 VanDerWaalsContact CD1-OE1 3.31Å; Y117-Q120 PolarHBondContact O-N 3.29Å; Y117-A121 WeakPolarHBondContact O-CB 3.43Å; Y117-A121 PolarHBondContact O-N 3.5Å; Y117-H430 PolarHBondContact OH-ND1 2.78Å
118	W	87.3	Confident	91.8	Very high	83 Å²	83	39.7 Å²	39.7	31%	0.314	19%	0.194	S	C	.	.	H	α-helix	trans	-56.7	-48.4	-176.8	-63.1	-20.7	0	0	0	113.2	T113 D114 A121 E122 L131 K133	T113-W118 PolarHBondContact O-NE1 3.37Å; D114-W118 VanDerWaalsContact C-NE1 3.27Å; D114-W118 PolarHBondContact O-NE1 3.49Å; W118-A121 PolarHBondContact O-N 3.36Å; W118-E122 WeakPolarHBondContact O-CG 3.44Å; W118-E122 PolarHBondContact O-N 2.83Å; W118-E122 VanDerWaalsContact O-N 3.15Å; W118-L131 HydrophobicContact CB-CD2 4.34Å; W118-K133 HydrophobicContact CD2-CB 4.31Å; W118-K133 HydrophobicContact CD2-CD 3.76Å; W118-K133 HydrophobicContact CD2-CG 3.88Å; W118-K133 HydrophobicContact CE3-CD 4Å; W118-K133 HydrophobicContact CG-CD 4.2Å; W118-K133 HydrophobicContact CG-CG 4.05Å; W118-K133 HydrophobicContact CH2-CB 4.45Å; W118-K133 HydrophobicContact CH2-CD 4.44Å; W118-K133 HydrophobicContact CZ2-CB 3.65Å; W118-K133 HydrophobicContact CZ2-CD 4.24Å; W118-K133 HydrophobicContact CZ2-CG 4.16Å; W118-K133 HydrophobicContact CZ3-CD 4.33Å
119	T	82.6	Confident	91.8	Very high	84 Å²	84	36.7 Å²	36.7	52%	0.515	18%	0.181	S	C	.	.	H	α-helix	trans	-62.5	-48.1	177.9	-57.6	0	0	0	0	110.1	V33 Y117 A121 E122 R123	V33-T119 HydrophobicContact CG1-CG2 4.41Å; Y117-T119 PolarHBondContact O-N 2.9Å; T119-A121 VanDerWaalsContact C-N 3.31Å; T119-A121 PolarHBondContact O-N 3.24Å; T119-E122 PolarHBondContact O-N 3.15Å; T119-E122 VanDerWaalsContact O-N 3.16Å; T119-R123 HydrophobicContact CG2-CG 4.44Å; T119-R123 VanDerWaalsContact O-CG 3.3Å; T119-R123 WeakPolarHBondContact O-CG 3.47Å; T119-R123 PolarHBondContact O-N 2.94Å
120	Q	85.8	Confident	91.7	Very high	56 Å²	56	40.1 Å²	40.1	26%	0.262	20%	0.197	S	C	.	.	H	α-helix	trans	-56.2	-44.1	178.3	178.8	176.8	-4.8	0	0	112.2	F95 T96 Y117 E122 R123 Q124	F95-Q120 HydrophobicContact CD2-CG 4.31Å; F95-Q120 HydrophobicContact CE2-CB 4.41Å; F95-Q120 HydrophobicContact CE2-CG 4.1Å; T96-Q120 PolarHBondContact OG1-NE2 2.98Å; Y117-Q120 VanDerWaalsContact CD1-OE1 3.31Å; Y117-Q120 PolarHBondContact O-N 3.29Å; Q120-E122 PolarHBondContact O-N 3.16Å; Q120-R123 WeakPolarHBondContact O-CB 3.48Å; Q120-R123 PolarHBondContact O-N 3.42Å; Q120-Q124 HydrophobicContact CG-CG 4.29Å; Q120-Q124 VanDerWaalsContact CG-OE1 3.22Å; Q120-Q124 VanDerWaalsContact NE2-OE1 3.16Å; Q120-Q124 WeakPolarHBondContact O-CB 3.39Å; Q120-Q124 WeakPolarHBondContact O-CG 3.4Å; Q120-Q124 PolarHBondContact O-N 3.06Å
121	A	92.1	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-42.4	178	0	0	0	0	0	112.1	F95 T113 Y117 W118 T119 R123 Q124 M125 L131	F95-A121 HydrophobicContact CD2-CB 3.78Å; F95-A121 HydrophobicContact CE2-CB 3.89Å; F95-A121 HydrophobicContact CG-CB 4.28Å; F95-A121 HydrophobicContact CZ-CB 4.48Å; T113-A121 HydrophobicContact CG2-CB 4.39Å; Y117-A121 WeakPolarHBondContact O-CB 3.43Å; Y117-A121 PolarHBondContact O-N 3.5Å; W118-A121 PolarHBondContact O-N 3.36Å; T119-A121 VanDerWaalsContact C-N 3.31Å; T119-A121 PolarHBondContact O-N 3.24Å; A121-R123 PolarHBondContact O-N 3.24Å; A121-Q124 PolarHBondContact O-N 2.83Å; A121-M125 HydrophobicContact CB-CE 3.88Å; A121-M125 WeakPolarHBondContact O-CB 3.34Å; A121-M125 WeakPolarHBondContact O-CG 3.42Å; A121-M125 PolarHBondContact O-N 2.9Å; A121-L131 HydrophobicContact CB-CD1 3.81Å; A121-L131 HydrophobicContact CB-CD2 4.12Å
122	E	92	Very high	91.6	Very high	56 Å²	56	44 Å²	44	26%	0.262	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-22.1	174.7	-64.5	-67.2	176.7	0	0	113.6	V33 R34 W118 T119 Q120 L131	V33-E122 HydrophobicContact CB-CB 4.04Å; V33-E122 HydrophobicContact CG1-CB 4.02Å; R34-E122 WeakPolarHBondContact CG-O 3.24Å; R34-E122 WeakPolarHBondContact CG-OE2 3.37Å; R34-E122 IonicContact CZ-OE2 2.69Å; R34-E122 PolarHBondContact N-O 3.35Å; R34-E122 IonicContact NE-OE2 3.48Å; R34-E122 PolarHBondContact NE-OE2 2.8Å; R34-E122 IonicContact NH2-OE1 2.65Å; R34-E122 IonicContact NH2-OE2 3.85Å; R34-E122 PolarHBondContact NH2-OE2 3.46Å; W118-E122 WeakPolarHBondContact O-CG 3.44Å; W118-E122 PolarHBondContact O-N 2.83Å; W118-E122 VanDerWaalsContact O-N 3.15Å; T119-E122 PolarHBondContact O-N 3.15Å; T119-E122 VanDerWaalsContact O-N 3.16Å; Q120-E122 PolarHBondContact O-N 3.16Å; E122-L131 HydrophobicContact CG-CD2 3.8Å; E122-L131 WeakPolarHBondContact OE1-CD2 3.5Å
123	R	88.4	Confident	91.4	Very high	95 Å²	95	49.3 Å²	49.3	36%	0.358	24%	0.239	S	C	.	.	H	α-helix	trans	-83	-26.6	175.4	-63.4	-167.7	166.1	165.5	-10.4	113.2	D32 V33 T46 V47 T119 Q120 A121	D32-R123 VanDerWaalsContact O-CG 3.23Å; D32-R123 WeakPolarHBondContact O-CG 3.2Å; D32-R123 IonicContact OD2-NH2 3.51Å; D32-R123 PolarHBondContact OD2-NH2 3.3Å; V33-R123 HydrophobicContact CG1-CG 3.83Å; T46-R123 CarbonylContact C-O 3.47Å; T46-R123 WeakPolarHBondContact CB-O 3.42Å; T46-R123 PolarHBondContact OG1-O 2.77Å; V47-R123 VanDerWaalsContact CG2-O 3.32Å; V47-R123 WeakPolarHBondContact CG2-O 3.09Å; T119-R123 HydrophobicContact CG2-CG 4.44Å; T119-R123 VanDerWaalsContact O-CG 3.3Å; T119-R123 WeakPolarHBondContact O-CG 3.47Å; T119-R123 PolarHBondContact O-N 2.94Å; Q120-R123 WeakPolarHBondContact O-CB 3.48Å; Q120-R123 PolarHBondContact O-N 3.42Å; A121-R123 PolarHBondContact O-N 3.24Å
124	Q	92.6	Very high	91.1	Very high	35 Å²	35	56.1 Å²	56.1	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-111.2	-27.5	-167.1	-69.9	-176.6	-33	0	0	114.4	V47 V48 G94 T96 Q120 A121	V47-Q124 WeakPolarHBondContact CA-O 3.45Å; V48-Q124 PolarHBondContact N-O 3.25Å; G94-Q124 WeakPolarHBondContact O-CB 3.4Å; T96-Q124 PolarHBondContact OG1-NE2 3.05Å; T96-Q124 PolarHBondContact OG1-OE1 3.39Å; Q120-Q124 HydrophobicContact CG-CG 4.29Å; Q120-Q124 VanDerWaalsContact CG-OE1 3.22Å; Q120-Q124 VanDerWaalsContact NE2-OE1 3.16Å; Q120-Q124 WeakPolarHBondContact O-CB 3.39Å; Q120-Q124 WeakPolarHBondContact O-CG 3.4Å; Q120-Q124 PolarHBondContact O-N 3.06Å; A121-Q124 PolarHBondContact O-N 2.83Å
125	M	96.6	Very high	91.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-86.5	145.2	-179.8	-61	-170.8	-55.3	0	0	111.8	R34 F95 V111 A121 W129 L131	R34-M125 WeakPolarHBondContact CD-O 3.47Å; F95-M125 HydrophobicContact CB-CG 3.67Å; F95-M125 HydrophobicContact CB-SD 4.03Å; V111-M125 HydrophobicContact CB-CE 4.42Å; V111-M125 HydrophobicContact CB-SD 3.88Å; V111-M125 HydrophobicContact CG1-SD 4.45Å; V111-M125 HydrophobicContact CG2-SD 3.55Å; V111-M125 VanDerWaalsContact CG2-SD 3.55Å; A121-M125 HydrophobicContact CB-CE 3.88Å; A121-M125 WeakPolarHBondContact O-CB 3.34Å; A121-M125 WeakPolarHBondContact O-CG 3.42Å; A121-M125 PolarHBondContact O-N 2.9Å; M125-W129 HydrophobicContact CB-CB 4.26Å; M125-W129 HydrophobicContact CE-CB 4.31Å; M125-W129 HydrophobicContact SD-CB 3.92Å; M125-W129 HydrophobicContact SD-CG 4.37Å; M125-L131 HydrophobicContact CE-CB 3.99Å; M125-L131 HydrophobicContact CE-CD1 4.21Å
126	D	96.7	Very high	91.6	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	28%	0.279	C	S	.	.			trans	-80.8	178.3	169.8	70.8	12.6	0	0	0	112.2	R34 V47 V48 T50 N128 W129	R34-D126 PolarHBondContact NH1-O 3.15Å; V47-D126 HydrophobicContact CG1-CB 3.59Å; V48-D126 WeakPolarHBondContact O-CB 3.4Å; T50-D126 PolarHBondContact N-OD2 3.32Å; T50-D126 PolarHBondContact OG1-OD1 2.89Å; T50-D126 VanDerWaalsContact OG1-OD1 3.13Å; T50-D126 PolarHBondContact OG1-OD2 2.84Å; D126-N128 VanDerWaalsContact CG-ND2 3.3Å; D126-N128 PolarHBondContact O-N 2.81Å; D126-N128 VanDerWaalsContact O-N 3.07Å; D126-N128 WeakPolarHBondContact OD1-CB 3.36Å; D126-N128 PolarHBondContact OD1-N 3.2Å; D126-N128 PolarHBondContact OD1-ND2 3.38Å; D126-N128 PolarHBondContact OD2-ND2 3.41Å; D126-W129 PolarHBondContact O-N 3.27Å
127	C	96.7	Very high	92.3	Very high	49 Å²	49	52.7 Å²	52.7	33%	0.331	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	5.2	-178.1	-65	0	0	0	0	115.4	C36 W129	C36-C127 WeakPolarHBondContact CA-SG 3.05Å; C36-C127 HydrophobicContact CB-CB 3.71Å; C36-C127 WeakPolarHBondContact CB-SG 3.37Å; C36-C127 WeakPolarHBondContact SG-CA 3.48Å; C36-C127 WeakPolarHBondContact SG-CB 3.26Å; C36-C127 CovalentContact SG-SG 2.04Å; C36-C127 PolarHBondContact SG-SG 3.05Å; C127-W129 VanDerWaalsContact C-N 3.29Å
128	N	97.6	Very high	92.8	Very high	59 Å²	59	56.9 Å²	56.9	32%	0.316	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-17.5	171.7	-64.9	-61.6	0	0	0	112.5	T51 L54 D126	T51-N128 PolarHBondContact OG1-ND2 3.01Å; L54-N128 HydrophobicContact CD2-CB 3.87Å; D126-N128 VanDerWaalsContact CG-ND2 3.3Å; D126-N128 PolarHBondContact O-N 2.81Å; D126-N128 VanDerWaalsContact O-N 3.07Å; D126-N128 WeakPolarHBondContact OD1-CB 3.36Å; D126-N128 PolarHBondContact OD1-N 3.2Å; D126-N128 PolarHBondContact OD1-ND2 3.38Å; D126-N128 PolarHBondContact OD2-ND2 3.41Å
129	W	98.3	Very high	93.2	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.019	29%	0.288	C	S	.	.			trans	-111.7	124.7	-171.3	-66.1	90.6	0	0	0	113.7	R34 T50 L54 I92 T93 A102 V104 A109 V111 M125 D126 C127	R34-W129 PolarHBondContact NH1-O 3.21Å; R34-W129 PolarHBondContact NH2-O 3.04Å; T50-W129 PolarHBondContact OG1-NE1 3.04Å; L54-W129 HydrophobicContact CD1-CH2 4.5Å; L54-W129 HydrophobicContact CD1-CZ2 4.15Å; I92-W129 HydrophobicContact CG1-CZ2 4.19Å; I92-W129 HydrophobicContact CG2-CH2 4.25Å; I92-W129 HydrophobicContact CG2-CZ2 4.31Å; I92-W129 VanDerWaalsContact O-CZ2 3.31Å; I92-W129 WeakPolarHBondContact O-CZ2 3.08Å; T93-W129 HydrophobicContact CG2-CD2 4.04Å; T93-W129 HydrophobicContact CG2-CE3 3.97Å; T93-W129 HydrophobicContact CG2-CH2 3.56Å; T93-W129 HydrophobicContact CG2-CZ2 3.63Å; T93-W129 HydrophobicContact CG2-CZ3 3.74Å; A102-W129 HydrophobicContact CB-CH2 4.04Å; A102-W129 HydrophobicContact CB-CZ3 3.73Å; V104-W129 HydrophobicContact CG2-CH2 3.56Å; V104-W129 HydrophobicContact CG2-CZ2 4.4Å; V104-W129 HydrophobicContact CG2-CZ3 4.06Å; A109-W129 HydrophobicContact CB-CD2 3.82Å; A109-W129 HydrophobicContact CB-CE3 3.56Å; A109-W129 HydrophobicContact CB-CH2 4.01Å; A109-W129 HydrophobicContact CB-CZ2 4.22Å; A109-W129 HydrophobicContact CB-CZ3 3.67Å; A109-W129 WeakPolarHBondContact O-CA 3.4Å; V111-W129 HydrophobicContact CG2-CD2 4.27Å; V111-W129 HydrophobicContact CG2-CE3 3.57Å; V111-W129 HydrophobicContact CG2-CZ3 3.99Å; M125-W129 HydrophobicContact CB-CB 4.26Å; M125-W129 HydrophobicContact CE-CB 4.31Å; M125-W129 HydrophobicContact SD-CB 3.92Å; M125-W129 HydrophobicContact SD-CG 4.37Å; D126-W129 PolarHBondContact O-N 3.27Å; C127-W129 VanDerWaalsContact C-N 3.29Å
130	E	97.6	Very high	93.9	Very high	73 Å²	73	50.3 Å²	50.3	34%	0.341	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.9	168.7	-63.3	175.3	-177.3	0	0	110.1	K108 A109 A110 V111 H132 W143	K108-E130 WeakPolarHBondContact CD-OE1 3.31Å; K108-E130 IonicContact NZ-OE1 3.59Å; A109-E130 PolarHBondContact O-N 2.9Å; A110-E130 CarbonylContact C-O 3.52Å; A110-E130 VanDerWaalsContact CA-O 3.26Å; A110-E130 WeakPolarHBondContact CA-O 3.41Å; A110-E130 HydrophobicContact CB-CB 4.07Å; V111-E130 PolarHBondContact N-O 3.49Å; E130-H132 IonicContact OE2-NE2 3.55Å; E130-W143 PolarHBondContact OE2-NE1 3.22Å
131	L	97.3	Very high	94.5	Very high	28 Å²	28	47.8 Å²	47.8	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.8	172.7	177	63.3	0	0	0	110	T113 W118 A121 E122 M125	T113-L131 HydrophobicContact CG2-CD1 3.87Å; W118-L131 HydrophobicContact CB-CD2 4.34Å; A121-L131 HydrophobicContact CB-CD1 3.81Å; A121-L131 HydrophobicContact CB-CD2 4.12Å; E122-L131 HydrophobicContact CG-CD2 3.8Å; E122-L131 WeakPolarHBondContact OE1-CD2 3.5Å; M125-L131 HydrophobicContact CE-CB 3.99Å; M125-L131 HydrophobicContact CE-CD1 4.21Å
132	H	97.4	Very high	94.7	Very high	53 Å²	53	51.7 Å²	51.7	25%	0.245	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.4	171.7	-70.5	-98.6	0	0	0	110.9	V111 W112 T113 E130 W143	V111-H132 PolarHBondContact O-N 3.25Å; W112-H132 WeakPolarHBondContact CA-O 3.49Å; W112-H132 AromaticContact CD1-CG 3.99Å; W112-H132 HydrophobicContact CD2-CB 3.93Å; W112-H132 AromaticContact CE2-CD2 3.8Å; W112-H132 AromaticContact CE2-CG 3.57Å; W112-H132 HydrophobicContact CG-CB 3.7Å; W112-H132 HydrophobicContact CZ2-CB 4.41Å; W112-H132 AromaticContact CZ2-CD2 3.71Å; W112-H132 AromaticContact CZ2-CG 3.85Å; W112-H132 AromaticContact CZ2-NE2 3.92Å; W112-H132 AromaticContact NE1-CG 3.46Å; W112-H132 AromaticContact NE1-ND1 3.81Å; T113-H132 PolarHBondContact N-O 2.98Å; E130-H132 IonicContact OE2-NE2 3.55Å; H132-W143 AromaticContact CE1-CD1 3.65Å; H132-W143 AromaticContact NE2-CD1 3.69Å; H132-W143 AromaticContact NE2-NE1 3.63Å
133	K	92.8	Very high	95	Very high	119 Å²	119	49.9 Å²	49.9	52%	0.517	27%	0.267	S	S	.	.			trans	-97.6	-10.3	-173.4	-63.2	-174.2	179.1	-179.3	0	114.2	W118	W118-K133 HydrophobicContact CD2-CB 4.31Å; W118-K133 HydrophobicContact CD2-CD 3.76Å; W118-K133 HydrophobicContact CD2-CG 3.88Å; W118-K133 HydrophobicContact CE3-CD 4Å; W118-K133 HydrophobicContact CG-CD 4.2Å; W118-K133 HydrophobicContact CG-CG 4.05Å; W118-K133 HydrophobicContact CH2-CB 4.45Å; W118-K133 HydrophobicContact CH2-CD 4.44Å; W118-K133 HydrophobicContact CZ2-CB 3.65Å; W118-K133 HydrophobicContact CZ2-CD 4.24Å; W118-K133 HydrophobicContact CZ2-CG 4.16Å; W118-K133 HydrophobicContact CZ3-CD 4.33Å
134	E	88.8	Confident	95.4	Very high	143 Å²	143	45.4 Å²	45.4	67%	0.668	25%	0.25	S	S	*	.			trans	-95.3	106.2	178.6	-67.5	-179.1	-173	0	0	110.3	P139	E134-P139 HydrophobicContact CB-CB 4.11Å; E134-P139 HydrophobicContact CB-CG 3.83Å; E134-P139 WeakPolarHBondContact O-CB 3.36Å; E134-P139 WeakPolarHBondContact O-CG 3.33Å
135	V	88.3	Confident	95.6	Very high	84 Å²	84	46.7 Å²	46.7	51%	0.509	26%	0.258	S	S	.	.			trans	-81	156.9	-177.3	-63.4	0	0	0	0	113.3	D114	D114-V135 HydrophobicContact CB-CG1 3.92Å
136	G	90.8	Very high	95.6	Very high	40 Å²	40	51.5 Å²	51.5	41%	0.412	29%	0.287	S	S	.	.	S	Bend	trans	115.5	174.6	172.7	0	0	0	0	0	113.9	P139 I140	G136-P139 WeakPolarHBondContact O-CD 3.46Å; G136-I140 WeakPolarHBondContact O-CD1 3.34Å; G136-I140 WeakPolarHBondContact O-CG1 3.17Å
137	T	93.6	Very high	95.6	Very high	28 Å²	28	54.1 Å²	54.1	17%	0.172	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-39	-176.8	-56.3	0	0	0	0	112.7	I140 V141 Y169 A172	T137-I140 PolarHBondContact O-N 2.84Å; T137-V141 HydrophobicContact CG2-CG2 3.96Å; T137-V141 WeakPolarHBondContact O-CG2 3.47Å; T137-V141 PolarHBondContact O-N 2.86Å; T137-Y169 HydrophobicContact CG2-CD1 3.5Å; T137-Y169 VanDerWaalsContact CG2-CD1 3.5Å; T137-Y169 HydrophobicContact CG2-CD2 4.19Å; T137-Y169 HydrophobicContact CG2-CE1 3.73Å; T137-Y169 HydrophobicContact CG2-CE2 4.41Å; T137-Y169 HydrophobicContact CG2-CG 3.72Å; T137-A172 HydrophobicContact CG2-CB 4.47Å
138	T	95.2	Very high	95.6	Very high	100 Å²	100	52 Å²	52	61%	0.613	29%	0.285	S	S	*	.	H	α-helix	trans	-62.5	-48.6	-175.6	-56.8	0	0	0	0	113.3	I140 V141 T142	T138-I140 VanDerWaalsContact C-N 3.33Å; T138-I140 PolarHBondContact O-N 3.39Å; T138-V141 PolarHBondContact O-N 2.63Å; T138-T142 WeakPolarHBondContact O-CB 3.42Å; T138-T142 PolarHBondContact O-N 3.45Å; T138-T142 PolarHBondContact O-OG1 2.78Å
139	P	96.6	Very high	95.3	Very high	26 Å²	26	53.8 Å²	53.8	17%	0.169	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-42.1	175	-26.7	36.1	0	0	0	113.1	E134 G136 T142 W143	E134-P139 HydrophobicContact CB-CB 4.11Å; E134-P139 HydrophobicContact CB-CG 3.83Å; E134-P139 WeakPolarHBondContact O-CB 3.36Å; E134-P139 WeakPolarHBondContact O-CG 3.33Å; G136-P139 WeakPolarHBondContact O-CD 3.46Å; P139-T142 PolarHBondContact O-N 2.82Å; P139-W143 PolarHBondContact O-N 3.24Å
140	I	97.8	Very high	95.1	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.015	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-48.4	179.1	-67.3	169.7	0	0	0	110.8	T101 V103 W112 G136 T137 T138 T142 W143 L144 Y169	T101-I140 HydrophobicContact CG2-CD1 3.95Å; V103-I140 HydrophobicContact CG2-CG2 3.74Å; W112-I140 HydrophobicContact CB-CD1 4.37Å; W112-I140 HydrophobicContact CB-CG1 4.4Å; W112-I140 HydrophobicContact CD2-CD1 4.2Å; W112-I140 HydrophobicContact CD2-CG1 3.48Å; W112-I140 VanDerWaalsContact CD2-CG1 3.48Å; W112-I140 HydrophobicContact CE3-CD1 4.36Å; W112-I140 HydrophobicContact CE3-CG1 3.86Å; W112-I140 HydrophobicContact CG-CD1 4.2Å; W112-I140 HydrophobicContact CG-CG1 3.72Å; W112-I140 HydrophobicContact CZ2-CG1 4.27Å; W112-I140 HydrophobicContact CZ3-CG1 4.4Å; G136-I140 WeakPolarHBondContact O-CD1 3.34Å; G136-I140 WeakPolarHBondContact O-CG1 3.17Å; T137-I140 PolarHBondContact O-N 2.84Å; T138-I140 VanDerWaalsContact C-N 3.33Å; T138-I140 PolarHBondContact O-N 3.39Å; I140-T142 VanDerWaalsContact C-N 3.33Å; I140-T142 PolarHBondContact O-N 3.22Å; I140-W143 PolarHBondContact O-N 2.97Å; I140-L144 HydrophobicContact CG2-CD1 3.99Å; I140-L144 HydrophobicContact CG2-CG 4.39Å; I140-L144 WeakPolarHBondContact O-CG 3.3Å; I140-L144 PolarHBondContact O-N 3.3Å; I140-Y169 HydrophobicContact CB-CE1 4.19Å; I140-Y169 WeakPolarHBondContact CD1-OH 3.44Å; I140-Y169 HydrophobicContact CG2-CE1 3.77Å
141	V	97.3	Very high	94.9	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-39.9	179.2	173	0	0	0	0	111.1	T137 T138 W143 L144 L145 Y169 A172 L173	T137-V141 HydrophobicContact CG2-CG2 3.96Å; T137-V141 WeakPolarHBondContact O-CG2 3.47Å; T137-V141 PolarHBondContact O-N 2.86Å; T138-V141 PolarHBondContact O-N 2.63Å; V141-W143 VanDerWaalsContact C-N 3.29Å; V141-W143 PolarHBondContact O-N 3.37Å; V141-L144 WeakPolarHBondContact O-CB 3.37Å; V141-L144 PolarHBondContact O-N 2.81Å; V141-L144 VanDerWaalsContact O-N 3.12Å; V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 HydrophobicContact CG1-CG 4.22Å; V141-L145 VanDerWaalsContact O-CG 3.26Å; V141-L145 WeakPolarHBondContact O-CG 3.23Å; V141-L145 PolarHBondContact O-N 3.42Å; V141-Y169 HydrophobicContact CG2-CD1 3.53Å; V141-Y169 HydrophobicContact CG2-CE1 3.92Å; V141-A172 HydrophobicContact CB-CB 4.04Å; V141-A172 HydrophobicContact CG1-CB 3.85Å; V141-A172 HydrophobicContact CG2-CB 3.85Å; V141-L173 HydrophobicContact CG1-CD2 3.84Å; V141-L173 HydrophobicContact CG1-CG 4.13Å; V141-L173 HydrophobicContact CG2-CG 4.4Å
142	T	96.9	Very high	94.8	Very high	81 Å²	81	54.3 Å²	54.3	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-57.2	-44.5	175.4	-57.9	0	0	0	0	111.3	T138 P139 I140 L145 T146	T138-T142 WeakPolarHBondContact O-CB 3.42Å; T138-T142 PolarHBondContact O-N 3.45Å; T138-T142 PolarHBondContact O-OG1 2.78Å; P139-T142 PolarHBondContact O-N 2.82Å; I140-T142 VanDerWaalsContact C-N 3.33Å; I140-T142 PolarHBondContact O-N 3.22Å; T142-L145 PolarHBondContact O-N 2.91Å; T142-T146 PolarHBondContact O-N 3.46Å
143	W	97.9	Very high	94.8	Very high	19 Å²	19	53.2 Å²	53.2	7%	0.072	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-40.5	174.8	-176.8	95.9	0	0	0	112.6	V103 T105 K108 A110 W112 E130 H132 P139 I140 V141 L145 T146 E147	V103-W143 HydrophobicContact CB-CZ3 4.18Å; V103-W143 HydrophobicContact CG1-CE3 4.45Å; V103-W143 HydrophobicContact CG1-CZ3 3.77Å; T105-W143 HydrophobicContact CG2-CH2 3.47Å; T105-W143 VanDerWaalsContact CG2-CH2 3.47Å; T105-W143 HydrophobicContact CG2-CZ3 3.45Å; T105-W143 VanDerWaalsContact CG2-CZ3 3.45Å; K108-W143 HydrophobicContact CB-CH2 4.19Å; K108-W143 HydrophobicContact CB-CZ2 3.85Å; K108-W143 HydrophobicContact CD-CZ2 4.26Å; A110-W143 HydrophobicContact CB-CH2 4.15Å; A110-W143 HydrophobicContact CB-CZ2 3.76Å; W112-W143 HydrophobicContact CH2-CB 4.22Å; W112-W143 AromaticContact CH2-CD2 3.62Å; W112-W143 HydrophobicContact CH2-CD2 3.62Å; W112-W143 AromaticContact CH2-CE3 3.69Å; W112-W143 HydrophobicContact CH2-CE3 3.69Å; W112-W143 AromaticContact CH2-CG 3.88Å; W112-W143 HydrophobicContact CH2-CG 3.88Å; W112-W143 HydrophobicContact CH2-CZ3 4.19Å; W112-W143 HydrophobicContact CZ2-CB 3.72Å; W112-W143 AromaticContact CZ2-CD2 3.99Å; W112-W143 HydrophobicContact CZ2-CD2 3.99Å; W112-W143 HydrophobicContact CZ2-CE3 4.37Å; W112-W143 AromaticContact CZ2-CG 3.72Å; W112-W143 HydrophobicContact CZ2-CG 3.72Å; E130-W143 PolarHBondContact OE2-NE1 3.22Å; H132-W143 AromaticContact CE1-CD1 3.65Å; H132-W143 AromaticContact NE2-CD1 3.69Å; H132-W143 AromaticContact NE2-NE1 3.63Å; P139-W143 PolarHBondContact O-N 3.24Å; I140-W143 PolarHBondContact O-N 2.97Å; V141-W143 VanDerWaalsContact C-N 3.29Å; V141-W143 PolarHBondContact O-N 3.37Å; W143-L145 VanDerWaalsContact C-N 3.26Å; W143-L145 PolarHBondContact O-N 3.26Å; W143-T146 PolarHBondContact O-N 3.2Å; W143-T146 VanDerWaalsContact O-N 3.14Å; W143-T146 PolarHBondContact O-OG1 3.1Å; W143-E147 HydrophobicContact CD2-CG 3.8Å; W143-E147 HydrophobicContact CE3-CG 4.19Å; W143-E147 HydrophobicContact CG-CG 4.3Å; W143-E147 HydrophobicContact CH2-CG 4.31Å; W143-E147 HydrophobicContact CZ2-CG 3.91Å; W143-E147 HydrophobicContact CZ3-CG 4.43Å; W143-E147 WeakPolarHBondContact O-CG 3.24Å; W143-E147 PolarHBondContact O-N 2.98Å
144	L	97.8	Very high	95.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-38.8	174.2	-73	168.3	0	0	0	111.9	A68 V103 I140 V141 T146 E147 I148 V154	A68-L144 HydrophobicContact CB-CD2 3.71Å; V103-L144 HydrophobicContact CG1-CD2 3.75Å; V103-L144 HydrophobicContact CG1-CG 4.5Å; I140-L144 HydrophobicContact CG2-CD1 3.99Å; I140-L144 HydrophobicContact CG2-CG 4.39Å; I140-L144 WeakPolarHBondContact O-CG 3.3Å; I140-L144 PolarHBondContact O-N 3.3Å; V141-L144 WeakPolarHBondContact O-CB 3.37Å; V141-L144 PolarHBondContact O-N 2.81Å; V141-L144 VanDerWaalsContact O-N 3.12Å; L144-T146 VanDerWaalsContact C-N 3.29Å; L144-T146 PolarHBondContact O-N 2.96Å; L144-E147 PolarHBondContact O-N 3.19Å; L144-I148 HydrophobicContact CB-CD1 4.29Å; L144-I148 HydrophobicContact CD2-CD1 3.44Å; L144-I148 VanDerWaalsContact CD2-CD1 3.44Å; L144-I148 HydrophobicContact CG-CD1 4.49Å; L144-I148 WeakPolarHBondContact O-CB 3.36Å; L144-I148 PolarHBondContact O-N 3.29Å; L144-V154 HydrophobicContact CD1-CG1 4.14Å; L144-V154 HydrophobicContact CD2-CG1 4.38Å; L144-V154 HydrophobicContact CD2-CG2 4.38Å
145	L	96.6	Very high	95.5	Very high	63 Å²	63	40.7 Å²	40.7	33%	0.33	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-28.9	178.8	-67.1	177.4	0	0	0	112.8	V141 T142 W143 L173 S176 R178	V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 HydrophobicContact CG1-CG 4.22Å; V141-L145 VanDerWaalsContact O-CG 3.26Å; V141-L145 WeakPolarHBondContact O-CG 3.23Å; V141-L145 PolarHBondContact O-N 3.42Å; T142-L145 PolarHBondContact O-N 2.91Å; W143-L145 VanDerWaalsContact C-N 3.26Å; W143-L145 PolarHBondContact O-N 3.26Å; L145-L173 HydrophobicContact CD2-CD2 4.35Å; L145-S176 VanDerWaalsContact CD2-CB 3.45Å; L145-R178 PolarHBondContact O-NH2 2.75Å
146	T	96.1	Very high	96	Very high	100 Å²	100	36.8 Å²	36.8	61%	0.613	24%	0.244	S	C	*	.	H	α-helix	trans	-82.3	-35.4	175.8	58.5	0	0	0	0	112.6	T142 W143 L144	T142-T146 PolarHBondContact O-N 3.46Å; W143-T146 PolarHBondContact O-N 3.2Å; W143-T146 VanDerWaalsContact O-N 3.14Å; W143-T146 PolarHBondContact O-OG1 3.1Å; L144-T146 VanDerWaalsContact C-N 3.29Å; L144-T146 PolarHBondContact O-N 2.96Å
147	E	96.8	Very high	96.4	Very high	60 Å²	60	35.3 Å²	35.3	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-91.3	-21.8	-171.6	-62.9	-55.5	144.7	0	0	114.5	T105 K108 W143 L144	T105-E147 HydrophobicContact CG2-CB 4.08Å; K108-E147 HydrophobicContact CD-CG 4.34Å; K108-E147 WeakPolarHBondContact CD-OE2 3.36Å; K108-E147 WeakPolarHBondContact CE-OE2 3.49Å; K108-E147 VanDerWaalsContact NZ-CD 3.26Å; K108-E147 IonicContact NZ-OE1 3.83Å; K108-E147 PolarHBondContact NZ-OE1 3.3Å; K108-E147 IonicContact NZ-OE2 3.86Å; K108-E147 PolarHBondContact NZ-OE2 3.07Å; W143-E147 HydrophobicContact CD2-CG 3.8Å; W143-E147 HydrophobicContact CE3-CG 4.19Å; W143-E147 HydrophobicContact CG-CG 4.3Å; W143-E147 HydrophobicContact CH2-CG 4.31Å; W143-E147 HydrophobicContact CZ2-CG 3.91Å; W143-E147 HydrophobicContact CZ3-CG 4.43Å; W143-E147 WeakPolarHBondContact O-CG 3.24Å; W143-E147 PolarHBondContact O-N 2.98Å; L144-E147 PolarHBondContact O-N 3.19Å
148	I	95.4	Very high	96.6	Very high	5 Å²	5	34 Å²	34	3%	0.026	22%	0.219	C	C	.	.	S	Bend	trans	-115.2	132.7	-175.1	-57.7	170	0	0	0	109.9	S67 A68 T105 L144 V154 R178	S67-I148 VanDerWaalsContact CB-CG2 3.44Å; A68-I148 HydrophobicContact CB-CD1 3.29Å; A68-I148 HydrophobicContact CB-CG1 4.31Å; T105-I148 HydrophobicContact CG2-CD1 4.48Å; T105-I148 HydrophobicContact CG2-CG1 4.22Å; L144-I148 HydrophobicContact CB-CD1 4.29Å; L144-I148 HydrophobicContact CD2-CD1 3.44Å; L144-I148 VanDerWaalsContact CD2-CD1 3.44Å; L144-I148 HydrophobicContact CG-CD1 4.49Å; L144-I148 WeakPolarHBondContact O-CB 3.36Å; L144-I148 PolarHBondContact O-N 3.29Å; I148-V154 HydrophobicContact CD1-CG2 3.92Å; I148-R178 PolarHBondContact O-NE 2.85Å; I148-R178 PolarHBondContact O-NH2 2.92Å
149	P	91.8	Very high	96.7	Very high	95 Å²	95	30.9 Å²	30.9	62%	0.617	20%	0.197	S	C	*	.			trans	-66.5	160.1	175.6	28.6	-36.1	0	0	0	112.7	G152	P149-G152 PolarHBondContact O-N 3Å
150	A	93.7	Very high	96.8	Very high	63 Å²	63	29.9 Å²	29.9	52%	0.521	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	140.9	166.7	0	0	0	0	0	110.3	N177	A150-N177 HydrophobicContact CB-CB 4.25Å
151	G	93.4	Very high	96.7	Very high	50 Å²	50	30 Å²	30	52%	0.515	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-6.6	-172.1	0	0	0	0	0	114.5	N177	G151-N177 WeakPolarHBondContact CA-O 3.14Å; G151-N177 PolarHBondContact N-O 3.07Å
152	G	95.8	Very high	96.7	Very high	5 Å²	5	30.1 Å²	30.1	5%	0.052	19%	0.192	C	C	.	.			trans	-72.2	148.2	-178.9	0	0	0	0	0	114.3	S67 P149 R178 Q179	S67-G152 WeakPolarHBondContact OG-CA 3.43Å; P149-G152 PolarHBondContact O-N 3Å; G152-R178 WeakPolarHBondContact O-CA 3.3Å; G152-Q179 PolarHBondContact O-N 3.01Å
153	C	97.8	Very high	96.6	Very high	29 Å²	29	26.4 Å²	26.4	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.1	174.8	-63.9	0	0	0	0	110.8	L66 S67 A68 Q179 V181	L66-C153 HydrophobicContact CD2-CB 3.99Å; S67-C153 PolarHBondContact N-O 3.24Å; A68-C153 PolarHBondContact N-O 2.87Å; C153-Q179 CarbonylContact C-O 3.57Å; C153-Q179 WeakPolarHBondContact CA-O 3.34Å; C153-V181 HydrophobicContact CB-CG2 3.97Å
154	V	98.4	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.1	173.1	-176.2	0	0	0	0	107.4	A68 I70 L144 I148 Q179 L180 V181	A68-V154 HydrophobicContact CB-CG1 4.39Å; I70-V154 HydrophobicContact CD1-CG1 3.75Å; I70-V154 HydrophobicContact CG1-CG1 3.92Å; L144-V154 HydrophobicContact CD1-CG1 4.14Å; L144-V154 HydrophobicContact CD2-CG1 4.38Å; L144-V154 HydrophobicContact CD2-CG2 4.38Å; I148-V154 HydrophobicContact CD1-CG2 3.92Å; V154-Q179 PolarHBondContact N-O 3.29Å; V154-L180 HydrophobicContact CB-CD1 4.28Å; V154-L180 HydrophobicContact CG1-CD1 4.16Å; V154-L180 CarbonylContact O-C 3.58Å; V154-L180 WeakPolarHBondContact O-CA 3.26Å; V154-V181 PolarHBondContact O-N 3.33Å
155	G	98.4	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	152.4	179.7	0	0	0	0	0	112.5	A68 Y69 I70 V181	A68-G155 PolarHBondContact O-N 3.45Å; Y69-G155 WeakPolarHBondContact CA-O 3.32Å; Y69-G155 WeakPolarHBondContact CD2-O 3.24Å; I70-G155 PolarHBondContact N-O 3.47Å; G155-V181 WeakPolarHBondContact CA-O 3.5Å
156	F	98.6	Very high	96.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.4	170	69.1	-75	0	0	0	109.5	I70 P158 L161 W166 L180 V181 I183 Y331	I70-F156 HydrophobicContact CB-CB 4.36Å; F156-P158 HydrophobicContact CE2-CB 3.93Å; F156-L161 HydrophobicContact CB-CD1 4.05Å; F156-L161 HydrophobicContact CD1-CD1 4.49Å; F156-L161 HydrophobicContact CD2-CB 4.2Å; F156-L161 HydrophobicContact CD2-CD1 3.32Å; F156-L161 HydrophobicContact CD2-CG 3.66Å; F156-L161 HydrophobicContact CE2-CB 4.35Å; F156-L161 HydrophobicContact CE2-CD1 3.82Å; F156-L161 HydrophobicContact CE2-CG 4.26Å; F156-L161 HydrophobicContact CG-CD1 3.71Å; F156-L161 HydrophobicContact CG-CG 4.36Å; F156-W166 AromaticContact CE1-CD1 3.96Å; F156-W166 AromaticContact CE2-CD1 3.75Å; F156-W166 AromaticContact CZ-CD1 3.28Å; F156-W166 HydrophobicContact CZ-CG 4.47Å; F156-W166 AromaticContact CZ-NE1 3.59Å; F156-L180 HydrophobicContact CD1-CD1 3.67Å; F156-L180 HydrophobicContact CD1-CD2 4.5Å; F156-L180 HydrophobicContact CD1-CG 3.79Å; F156-L180 HydrophobicContact CE1-CD1 4.07Å; F156-L180 HydrophobicContact CE1-CD2 4.17Å; F156-L180 HydrophobicContact CE1-CG 3.63Å; F156-V181 WeakPolarHBondContact CD1-O 3.26Å; F156-V181 VanDerWaalsContact CE1-C 3.43Å; F156-V181 WeakPolarHBondContact CE1-O 3.17Å; F156-V181 PolarHBondContact N-O 2.78Å; F156-V181 VanDerWaalsContact N-O 3.09Å; F156-I183 PolarHBondContact O-N 2.76Å; F156-Y331 AromaticContact CE2-CD1 3.83Å; F156-Y331 HydrophobicContact CE2-CD1 3.83Å; F156-Y331 HydrophobicContact CE2-CG 4.49Å; F156-Y331 AromaticContact CZ-CD1 3.72Å; F156-Y331 HydrophobicContact CZ-CD1 3.72Å; F156-Y331 AromaticContact CZ-CE1 3.95Å; F156-Y331 HydrophobicContact CZ-CE1 3.95Å
157	D	98.4	Very high	96.3	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.043	18%	0.176	C	C	.	.			trans	-79.2	119.7	165.8	-176.9	-20.4	0	0	0	109.2	F159 L160 I183 N186	D157-F159 PolarHBondContact O-N 2.92Å; D157-F159 WeakPolarHBondContact OD1-CB 3.27Å; D157-F159 PolarHBondContact OD1-N 3.48Å; D157-L160 HydrophobicContact CB-CB 4.34Å; D157-L160 HydrophobicContact CB-CD1 3.94Å; D157-L160 HydrophobicContact CB-CG 3.89Å; D157-L160 PolarHBondContact O-N 3.34Å; D157-I183 WeakPolarHBondContact CA-O 3.23Å; D157-N186 WeakPolarHBondContact CB-ND2 3.27Å; D157-N186 WeakPolarHBondContact OD2-CB 3.46Å; D157-N186 PolarHBondContact OD2-ND2 2.85Å
158	P	97.9	Very high	96.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-68.5	-16.7	-176.1	34.5	-41.5	0	0	0	113.7	F156 L160 S182 I183 T184 Y331 G332	F156-P158 HydrophobicContact CE2-CB 3.93Å; P158-L160 PolarHBondContact O-N 2.91Å; P158-S182 VanDerWaalsContact CB-OG 3.25Å; P158-S182 WeakPolarHBondContact CB-OG 3.45Å; P158-S182 WeakPolarHBondContact CG-OG 3.41Å; P158-I183 VanDerWaalsContact CD-O 3.3Å; P158-I183 WeakPolarHBondContact CD-O 3.41Å; P158-T184 HydrophobicContact CG-CG2 3.91Å; P158-Y331 HydrophobicContact CB-CD1 3.89Å; P158-Y331 CarbonylContact O-C 3.42Å; P158-Y331 PolarHBondContact O-N 2.63Å; P158-G332 PolarHBondContact O-N 2.95Å
159	F	97.7	Very high	96.4	Very high	35 Å²	35	28.4 Å²	28.4	15%	0.154	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-78.6	-5.3	171.4	-71	-81.6	0	0	0	113	A76 D157 R309 M330 I333	A76-F159 VanDerWaalsContact CA-O 3.3Å; A76-F159 WeakPolarHBondContact CA-O 3.35Å; A76-F159 HydrophobicContact CB-CB 4.09Å; A76-F159 HydrophobicContact CB-CD1 4.23Å; D157-F159 PolarHBondContact O-N 2.92Å; D157-F159 WeakPolarHBondContact OD1-CB 3.27Å; D157-F159 PolarHBondContact OD1-N 3.48Å; F159-R309 HydrophobicContact CZ-CB 4.39Å; F159-M330 VanDerWaalsContact O-CG 3.25Å; F159-M330 WeakPolarHBondContact O-CG 3.38Å; F159-I333 HydrophobicContact CE1-CD1 3.8Å; F159-I333 HydrophobicContact CE1-CG1 3.93Å; F159-I333 HydrophobicContact CZ-CD1 4.31Å
160	L	97.4	Very high	96.6	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-112.8	2.2	-177.7	-54	-174.5	0	0	0	113.8	P72 T74 D157 P158 N186	P72-L160 HydrophobicContact CG-CB 3.68Å; P72-L160 WeakPolarHBondContact CG-O 3.35Å; T74-L160 HydrophobicContact CG2-CB 4.07Å; T74-L160 HydrophobicContact CG2-CD2 4.43Å; T74-L160 WeakPolarHBondContact CG2-O 3.23Å; T74-L160 WeakPolarHBondContact O-CD2 3.27Å; D157-L160 HydrophobicContact CB-CB 4.34Å; D157-L160 HydrophobicContact CB-CD1 3.94Å; D157-L160 HydrophobicContact CB-CG 3.89Å; D157-L160 PolarHBondContact O-N 3.34Å; P158-L160 PolarHBondContact O-N 2.91Å; L160-N186 WeakPolarHBondContact CD1-ND2 3.43Å
161	L	97.3	Very high	96.7	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	17%	0.166	C	C	.	.	S	Bend	trans	-117.4	127.4	170.7	-62.3	-171.4	0	0	0	110	P72 F156 T165 W166 Y169 Y331	P72-L161 HydrophobicContact CG-CD2 4.1Å; F156-L161 HydrophobicContact CB-CD1 4.05Å; F156-L161 HydrophobicContact CD1-CD1 4.49Å; F156-L161 HydrophobicContact CD2-CB 4.2Å; F156-L161 HydrophobicContact CD2-CD1 3.32Å; F156-L161 HydrophobicContact CD2-CG 3.66Å; F156-L161 HydrophobicContact CE2-CB 4.35Å; F156-L161 HydrophobicContact CE2-CD1 3.82Å; F156-L161 HydrophobicContact CE2-CG 4.26Å; F156-L161 HydrophobicContact CG-CD1 3.71Å; F156-L161 HydrophobicContact CG-CG 4.36Å; L161-T165 HydrophobicContact CD2-CG2 3.88Å; L161-W166 HydrophobicContact CB-CB 4.3Å; L161-Y169 HydrophobicContact CD1-CD2 4.1Å; L161-Y169 HydrophobicContact CD1-CE2 4.48Å; L161-Y169 HydrophobicContact CD2-CE2 4.36Å; L161-Y331 WeakPolarHBondContact O-CB 3.43Å; L161-Y331 PolarHBondContact O-N 3.1Å
162	S	95.9	Very high	96.8	Very high	7 Å²	7	28 Å²	28	5%	0.049	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-64.3	160.9	167.5	70.5	0	0	0	0	110.8	D164 T165 W166 M330	S162-D164 VanDerWaalsContact C-N 3.3Å; S162-D164 PolarHBondContact O-N 2.88Å; S162-T165 PolarHBondContact O-N 2.48Å; S162-T165 WeakPolarHBondContact OG-CB 3.42Å; S162-T165 PolarHBondContact OG-N 3Å; S162-T165 PolarHBondContact OG-OG1 3.02Å; S162-W166 WeakPolarHBondContact O-CB 3.42Å; S162-W166 PolarHBondContact O-N 2.67Å; S162-M330 PolarHBondContact N-SD 3.21Å; S162-M330 VanDerWaalsContact N-SD 3.45Å
163	I	96	Very high	96.8	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-51.5	-51.3	176	-65.1	159.5	0	0	0	110.6	T165 W166 E167 I324 T326 T329 Y334	I163-T165 VanDerWaalsContact C-N 3.32Å; I163-T165 PolarHBondContact O-N 3.39Å; I163-W166 PolarHBondContact O-N 2.84Å; I163-E167 HydrophobicContact CG2-CG 4.37Å; I163-E167 WeakPolarHBondContact O-CB 3.32Å; I163-E167 WeakPolarHBondContact O-CG 3.33Å; I163-E167 PolarHBondContact O-N 2.77Å; I163-I324 HydrophobicContact CD1-CD1 3.97Å; I163-T326 HydrophobicContact CD1-CG2 4.38Å; I163-T329 HydrophobicContact CD1-CG2 3.99Å; I163-T329 WeakPolarHBondContact CG1-O 3.33Å; I163-T329 PolarHBondContact N-O 3.33Å; I163-T329 VanDerWaalsContact N-O 3.14Å; I163-Y334 HydrophobicContact CD1-CD2 3.39Å; I163-Y334 HydrophobicContact CD1-CE2 4.03Å; I163-Y334 HydrophobicContact CD1-CG 3.88Å; I163-Y334 HydrophobicContact CG1-CD1 4.34Å; I163-Y334 HydrophobicContact CG1-CD2 3.71Å; I163-Y334 HydrophobicContact CG1-CE2 4.32Å; I163-Y334 HydrophobicContact CG1-CG 3.7Å; I163-Y334 HydrophobicContact CG2-CD2 4.5Å; I163-Y334 HydrophobicContact CG2-CE2 4.3Å
164	D	93.4	Very high	96.6	Very high	75 Å²	75	32.6 Å²	32.6	40%	0.401	18%	0.175	S	C	.	.	H	α-helix	trans	-62.5	-38.9	-177.7	-64.7	-8.7	0	0	0	112.2	S162 S168	S162-D164 VanDerWaalsContact C-N 3.3Å; S162-D164 PolarHBondContact O-N 2.88Å; D164-S168 WeakPolarHBondContact O-CB 3.49Å; D164-S168 PolarHBondContact O-N 2.92Å; D164-S168 PolarHBondContact O-OG 3.33Å
165	T	95.1	Very high	96.3	Very high	47 Å²	47	36.9 Å²	36.9	29%	0.288	22%	0.219	S	C	.	.	H	α-helix	trans	-69.1	-44.7	178.9	-54.8	0	0	0	0	110.8	L161 S162 I163 S168 Y169	L161-T165 HydrophobicContact CD2-CG2 3.88Å; S162-T165 PolarHBondContact O-N 2.48Å; S162-T165 WeakPolarHBondContact OG-CB 3.42Å; S162-T165 PolarHBondContact OG-N 3Å; S162-T165 PolarHBondContact OG-OG1 3.02Å; I163-T165 VanDerWaalsContact C-N 3.32Å; I163-T165 PolarHBondContact O-N 3.39Å; T165-S168 WeakPolarHBondContact O-CB 3.4Å; T165-S168 PolarHBondContact O-N 3.03Å; T165-Y169 HydrophobicContact CG2-CD2 3.93Å; T165-Y169 HydrophobicContact CG2-CE2 3.72Å; T165-Y169 VanDerWaalsContact O-CD2 3.25Å; T165-Y169 WeakPolarHBondContact O-CD2 3.31Å; T165-Y169 PolarHBondContact O-N 2.63Å
166	W	97	Very high	96.2	Very high	33 Å²	33	37.9 Å²	37.9	13%	0.125	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-45.9	175.4	173.1	84	0	0	0	111.6	F156 L161 S162 I163 S168 Y169 N170 L180 Y331	F156-W166 AromaticContact CE1-CD1 3.96Å; F156-W166 AromaticContact CE2-CD1 3.75Å; F156-W166 AromaticContact CZ-CD1 3.28Å; F156-W166 HydrophobicContact CZ-CG 4.47Å; F156-W166 AromaticContact CZ-NE1 3.59Å; L161-W166 HydrophobicContact CB-CB 4.3Å; S162-W166 WeakPolarHBondContact O-CB 3.42Å; S162-W166 PolarHBondContact O-N 2.67Å; I163-W166 PolarHBondContact O-N 2.84Å; W166-S168 VanDerWaalsContact C-N 3.29Å; W166-S168 PolarHBondContact O-N 3.09Å; W166-Y169 PolarHBondContact O-N 2.9Å; W166-N170 HydrophobicContact CZ2-CB 4.3Å; W166-N170 VanDerWaalsContact O-CB 3.28Å; W166-N170 WeakPolarHBondContact O-CB 3.29Å; W166-N170 PolarHBondContact O-N 2.9Å; W166-L180 HydrophobicContact CG-CD2 4.5Å; W166-Y331 HydrophobicContact CB-CD2 4.09Å; W166-Y331 HydrophobicContact CB-CG 4.16Å; W166-Y331 AromaticContact CD1-CD1 3.92Å; W166-Y331 AromaticContact CD1-CE1 4Å; W166-Y331 AromaticContact CD1-CG 3.97Å; W166-Y331 AromaticContact CD2-CD2 3.48Å; W166-Y331 HydrophobicContact CD2-CD2 3.48Å; W166-Y331 VanDerWaalsContact CD2-CD2 3.48Å; W166-Y331 HydrophobicContact CD2-CE1 4.36Å; W166-Y331 AromaticContact CD2-CE2 3.27Å; W166-Y331 HydrophobicContact CD2-CE2 3.27Å; W166-Y331 HydrophobicContact CD2-CG 4.13Å; W166-Y331 AromaticContact CD2-CZ 3.75Å; W166-Y331 AromaticContact CE2-CD2 3.99Å; W166-Y331 AromaticContact CE2-CE1 3.92Å; W166-Y331 AromaticContact CE2-CE2 3.37Å; W166-Y331 AromaticContact CE2-CZ 3.32Å; W166-Y331 AromaticContact CE3-CD2 3.73Å; W166-Y331 HydrophobicContact CE3-CD2 3.73Å; W166-Y331 AromaticContact CE3-CE2 3.44Å; W166-Y331 HydrophobicContact CE3-CE2 3.44Å; W166-Y331 VanDerWaalsContact CE3-CE2 3.44Å; W166-Y331 HydrophobicContact CG-CD1 4.21Å; W166-Y331 AromaticContact CG-CD2 3.61Å; W166-Y331 HydrophobicContact CG-CD2 3.61Å; W166-Y331 HydrophobicContact CG-CE1 4.42Å; W166-Y331 AromaticContact CG-CE2 3.86Å; W166-Y331 HydrophobicContact CG-CE2 3.86Å; W166-Y331 AromaticContact CG-CG 3.8Å; W166-Y331 HydrophobicContact CG-CG 3.8Å; W166-Y331 AromaticContact CH2-CE2 3.83Å; W166-Y331 HydrophobicContact CH2-CE2 3.83Å; W166-Y331 HydrophobicContact CZ2-CE1 4.43Å; W166-Y331 AromaticContact CZ2-CE2 3.67Å; W166-Y331 HydrophobicContact CZ2-CE2 3.67Å; W166-Y331 AromaticContact CZ2-CZ 3.51Å; W166-Y331 WeakPolarHBondContact CZ2-OH 3.49Å; W166-Y331 HydrophobicContact CZ3-CD2 4.43Å; W166-Y331 AromaticContact CZ3-CE2 3.72Å; W166-Y331 HydrophobicContact CZ3-CE2 3.72Å; W166-Y331 AromaticContact NE1-CE1 3.64Å; W166-Y331 AromaticContact NE1-CE2 3.9Å; W166-Y331 AromaticContact NE1-CZ 3.55Å
167	E	96.2	Very high	96	Very high	76 Å²	76	43.3 Å²	43.3	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-41.8	176.7	-75.5	-170.3	168.4	0	0	111.2	I163 N170 L171	I163-E167 HydrophobicContact CG2-CG 4.37Å; I163-E167 WeakPolarHBondContact O-CB 3.32Å; I163-E167 WeakPolarHBondContact O-CG 3.33Å; I163-E167 PolarHBondContact O-N 2.77Å; E167-N170 PolarHBondContact O-N 3.5Å; E167-L171 VanDerWaalsContact O-CB 3.31Å; E167-L171 WeakPolarHBondContact O-CB 3.5Å; E167-L171 VanDerWaalsContact O-CG 3.24Å; E167-L171 WeakPolarHBondContact O-CG 3.29Å; E167-L171 PolarHBondContact O-N 2.8Å
168	S	96.6	Very high	95.9	Very high	53 Å²	53	45 Å²	45	37%	0.371	26%	0.261	S	S	.	.	H	α-helix	trans	-60.8	-45.6	176.5	-62	0	0	0	0	112.2	D164 T165 W166 A172	D164-S168 WeakPolarHBondContact O-CB 3.49Å; D164-S168 PolarHBondContact O-N 2.92Å; D164-S168 PolarHBondContact O-OG 3.33Å; T165-S168 WeakPolarHBondContact O-CB 3.4Å; T165-S168 PolarHBondContact O-N 3.03Å; W166-S168 VanDerWaalsContact C-N 3.29Å; W166-S168 PolarHBondContact O-N 3.09Å; S168-A172 VanDerWaalsContact O-CB 3.26Å; S168-A172 WeakPolarHBondContact O-CB 2.98Å; S168-A172 PolarHBondContact O-N 2.88Å
169	Y	97.5	Very high	95.7	Very high	5 Å²	5	51 Å²	51	2%	0.02	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-45.4	176.1	-84	-67.7	0	0	0	111.6	I70 T137 I140 V141 L161 T165 W166 L171 A172 L173	I70-Y169 HydrophobicContact CD1-CD1 4.09Å; I70-Y169 HydrophobicContact CD1-CE1 3.88Å; I70-Y169 HydrophobicContact CD1-CE2 4.35Å; I70-Y169 HydrophobicContact CD1-CG 4.44Å; T137-Y169 HydrophobicContact CG2-CD1 3.5Å; T137-Y169 VanDerWaalsContact CG2-CD1 3.5Å; T137-Y169 HydrophobicContact CG2-CD2 4.19Å; T137-Y169 HydrophobicContact CG2-CE1 3.73Å; T137-Y169 HydrophobicContact CG2-CE2 4.41Å; T137-Y169 HydrophobicContact CG2-CG 3.72Å; I140-Y169 HydrophobicContact CB-CE1 4.19Å; I140-Y169 WeakPolarHBondContact CD1-OH 3.44Å; I140-Y169 HydrophobicContact CG2-CE1 3.77Å; V141-Y169 HydrophobicContact CG2-CD1 3.53Å; V141-Y169 HydrophobicContact CG2-CE1 3.92Å; L161-Y169 HydrophobicContact CD1-CD2 4.1Å; L161-Y169 HydrophobicContact CD1-CE2 4.48Å; L161-Y169 HydrophobicContact CD2-CE2 4.36Å; T165-Y169 HydrophobicContact CG2-CD2 3.93Å; T165-Y169 HydrophobicContact CG2-CE2 3.72Å; T165-Y169 VanDerWaalsContact O-CD2 3.25Å; T165-Y169 WeakPolarHBondContact O-CD2 3.31Å; T165-Y169 PolarHBondContact O-N 2.63Å; W166-Y169 PolarHBondContact O-N 2.9Å; Y169-L171 PolarHBondContact O-N 2.99Å; Y169-A172 PolarHBondContact O-N 2.99Å; Y169-L173 WeakPolarHBondContact O-CB 3.42Å; Y169-L173 WeakPolarHBondContact O-CG 3.39Å; Y169-L173 PolarHBondContact O-N 2.91Å
170	N	95.4	Very high	95.7	Very high	57 Å²	57	50.7 Å²	50.7	31%	0.305	29%	0.289	S	S	.	.	H	α-helix	trans	-59.7	-49.5	-179.3	-175.9	49.4	0	0	0	110.5	W166 E167 L173 Q174 L180	W166-N170 HydrophobicContact CZ2-CB 4.3Å; W166-N170 VanDerWaalsContact O-CB 3.28Å; W166-N170 WeakPolarHBondContact O-CB 3.29Å; W166-N170 PolarHBondContact O-N 2.9Å; E167-N170 PolarHBondContact O-N 3.5Å; N170-L173 PolarHBondContact O-N 3.35Å; N170-Q174 WeakPolarHBondContact O-CG 3.34Å; N170-Q174 PolarHBondContact O-N 3.21Å; N170-L180 HydrophobicContact CB-CD2 4.3Å
171	L	96.1	Very high	95.7	Very high	102 Å²	102	52.4 Å²	52.4	53%	0.534	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-46.9	176.6	-74	168.4	0	0	0	112.2	E167 Y169 L173 Q174	E167-L171 VanDerWaalsContact O-CB 3.31Å; E167-L171 WeakPolarHBondContact O-CB 3.5Å; E167-L171 VanDerWaalsContact O-CG 3.24Å; E167-L171 WeakPolarHBondContact O-CG 3.29Å; E167-L171 PolarHBondContact O-N 2.8Å; Y169-L171 PolarHBondContact O-N 2.99Å; L171-L173 PolarHBondContact O-N 2.83Å; L171-Q174 WeakPolarHBondContact O-CB 3.29Å; L171-Q174 PolarHBondContact O-N 3.38Å; L171-Q174 VanDerWaalsContact O-N 3.13Å
172	A	95.8	Very high	95.7	Very high	41 Å²	41	53.9 Å²	53.9	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-66.8	-24.5	-178.6	0	0	0	0	0	113.3	T137 V141 S168 Y169	T137-A172 HydrophobicContact CG2-CB 4.47Å; V141-A172 HydrophobicContact CB-CB 4.04Å; V141-A172 HydrophobicContact CG1-CB 3.85Å; V141-A172 HydrophobicContact CG2-CB 3.85Å; S168-A172 VanDerWaalsContact O-CB 3.26Å; S168-A172 WeakPolarHBondContact O-CB 2.98Å; S168-A172 PolarHBondContact O-N 2.88Å; Y169-A172 PolarHBondContact O-N 2.99Å
173	L	95.2	Very high	95.8	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-88.2	-9.2	174.8	-72	168.5	0	0	0	113.6	V141 L145 Y169 N170 L171 S176 R178 L180	V141-L173 HydrophobicContact CG1-CD2 3.84Å; V141-L173 HydrophobicContact CG1-CG 4.13Å; V141-L173 HydrophobicContact CG2-CG 4.4Å; L145-L173 HydrophobicContact CD2-CD2 4.35Å; Y169-L173 WeakPolarHBondContact O-CB 3.42Å; Y169-L173 WeakPolarHBondContact O-CG 3.39Å; Y169-L173 PolarHBondContact O-N 2.91Å; N170-L173 PolarHBondContact O-N 3.35Å; L171-L173 PolarHBondContact O-N 2.83Å; L173-S176 VanDerWaalsContact O-CB 3.28Å; L173-S176 WeakPolarHBondContact O-CB 3.48Å; L173-S176 PolarHBondContact O-N 2.92Å; L173-S176 PolarHBondContact O-OG 3.13Å; L173-R178 HydrophobicContact CD2-CB 4.45Å; L173-L180 HydrophobicContact CD1-CB 4.12Å; L173-L180 HydrophobicContact CD1-CD1 4.32Å
174	Q	93.8	Very high	95.7	Very high	124 Å²	124	57.7 Å²	57.7	58%	0.579	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	140	-179.7	-76.8	175.3	5.1	0	0	112	N170 L171 S176	N170-Q174 WeakPolarHBondContact O-CG 3.34Å; N170-Q174 PolarHBondContact O-N 3.21Å; L171-Q174 WeakPolarHBondContact O-CB 3.29Å; L171-Q174 PolarHBondContact O-N 3.38Å; L171-Q174 VanDerWaalsContact O-N 3.13Å; Q174-S176 PolarHBondContact O-N 3.5Å; Q174-S176 VanDerWaalsContact O-N 3.14Å
175	G	93.2	Very high	95.9	Very high	90 Å²	90	57.7 Å²	57.7	93%	0.928	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-6.5	-179.2	0	0	0	0	0	115.1	N177	G175-N177 VanDerWaalsContact C-N 3.31Å; G175-N177 PolarHBondContact O-N 2.95Å
176	S	95	Very high	96	Very high	21 Å²	21	55.8 Å²	55.8	15%	0.147	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.4	-179	77.8	0	0	0	0	114.8	L145 L173 Q174 R178	L145-S176 VanDerWaalsContact CD2-CB 3.45Å; L173-S176 VanDerWaalsContact O-CB 3.28Å; L173-S176 WeakPolarHBondContact O-CB 3.48Å; L173-S176 PolarHBondContact O-N 2.92Å; L173-S176 PolarHBondContact O-OG 3.13Å; Q174-S176 PolarHBondContact O-N 3.5Å; Q174-S176 VanDerWaalsContact O-N 3.14Å; S176-R178 PolarHBondContact O-N 2.86Å; S176-R178 PolarHBondContact O-NH1 3.47Å; S176-R178 PolarHBondContact OG-N 3.2Å
177	N	95.6	Very high	96.1	Very high	115 Å²	115	54.2 Å²	54.2	62%	0.615	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	30	-169.9	-166.4	33.8	0	0	0	113.2	A150 G151 G175	A150-N177 HydrophobicContact CB-CB 4.25Å; G151-N177 WeakPolarHBondContact CA-O 3.14Å; G151-N177 PolarHBondContact N-O 3.07Å; G175-N177 VanDerWaalsContact C-N 3.31Å; G175-N177 PolarHBondContact O-N 2.95Å
178	R	95.6	Very high	96.2	Very high	44 Å²	44	50.6 Å²	50.6	17%	0.166	30%	0.301	C	S	.	.			trans	-118	148.9	171.9	-65.5	163.8	-175.5	84.8	-11	109	L145 I148 G152 L173 S176	L145-R178 PolarHBondContact O-NH2 2.75Å; I148-R178 PolarHBondContact O-NE 2.85Å; I148-R178 PolarHBondContact O-NH2 2.92Å; G152-R178 WeakPolarHBondContact O-CA 3.3Å; L173-R178 HydrophobicContact CD2-CB 4.45Å; S176-R178 PolarHBondContact O-N 2.86Å; S176-R178 PolarHBondContact O-NH1 3.47Å; S176-R178 PolarHBondContact OG-N 3.2Å
179	Q	94.8	Very high	96.3	Very high	125 Å²	125	49.6 Å²	49.6	58%	0.584	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.5	-174.2	-64	-176.2	-1.4	0	0	110.8	G152 C153 V154 V181	G152-Q179 PolarHBondContact O-N 3.01Å; C153-Q179 CarbonylContact C-O 3.57Å; C153-Q179 WeakPolarHBondContact CA-O 3.34Å; V154-Q179 PolarHBondContact N-O 3.29Å; Q179-V181 HydrophobicContact CB-CG2 4.17Å
180	L	97.2	Very high	96.3	Very high	29 Å²	29	53.4 Å²	53.4	15%	0.152	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.5	169.1	-172.8	66.4	0	0	0	108.3	I70 V154 F156 W166 N170 L173	I70-L180 HydrophobicContact CD1-CD1 4.32Å; V154-L180 HydrophobicContact CB-CD1 4.28Å; V154-L180 HydrophobicContact CG1-CD1 4.16Å; V154-L180 CarbonylContact O-C 3.58Å; V154-L180 WeakPolarHBondContact O-CA 3.26Å; F156-L180 HydrophobicContact CD1-CD1 3.67Å; F156-L180 HydrophobicContact CD1-CD2 4.5Å; F156-L180 HydrophobicContact CD1-CG 3.79Å; F156-L180 HydrophobicContact CE1-CD1 4.07Å; F156-L180 HydrophobicContact CE1-CD2 4.17Å; F156-L180 HydrophobicContact CE1-CG 3.63Å; W166-L180 HydrophobicContact CG-CD2 4.5Å; N170-L180 HydrophobicContact CB-CD2 4.3Å; L173-L180 HydrophobicContact CD1-CB 4.12Å; L173-L180 HydrophobicContact CD1-CD1 4.32Å
181	V	97.2	Very high	96.4	Very high	42 Å²	42	52.1 Å²	52.1	26%	0.255	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.1	-168.9	-175.1	0	0	0	0	110.6	C153 V154 G155 F156 Q179 I183	C153-V181 HydrophobicContact CB-CG2 3.97Å; V154-V181 PolarHBondContact O-N 3.33Å; G155-V181 WeakPolarHBondContact CA-O 3.5Å; F156-V181 WeakPolarHBondContact CD1-O 3.26Å; F156-V181 VanDerWaalsContact CE1-C 3.43Å; F156-V181 WeakPolarHBondContact CE1-O 3.17Å; F156-V181 PolarHBondContact N-O 2.78Å; F156-V181 VanDerWaalsContact N-O 3.09Å; Q179-V181 HydrophobicContact CB-CG2 4.17Å; V181-I183 HydrophobicContact CG1-CD1 3.89Å
182	S	97.3	Very high	96.5	Very high	36 Å²	36	48.1 Å²	48.1	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	125.7	175.5	173.6	0	0	0	0	110.5	P158 E335	P158-S182 VanDerWaalsContact CB-OG 3.25Å; P158-S182 WeakPolarHBondContact CB-OG 3.45Å; P158-S182 WeakPolarHBondContact CG-OG 3.41Å; S182-E335 WeakPolarHBondContact CB-OE2 3.41Å; S182-E335 PolarHBondContact OG-OE2 2.82Å
183	I	97.5	Very high	96.5	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.097	29%	0.288	C	S	.	.			trans	-127	100.7	178.3	-51.9	-67.5	0	0	0	108.7	L66 F156 D157 P158 V181 T185 L187	L66-I183 HydrophobicContact CD1-CG1 4.27Å; L66-I183 HydrophobicContact CD2-CD1 4.49Å; F156-I183 PolarHBondContact O-N 2.76Å; D157-I183 WeakPolarHBondContact CA-O 3.23Å; P158-I183 VanDerWaalsContact CD-O 3.3Å; P158-I183 WeakPolarHBondContact CD-O 3.41Å; V181-I183 HydrophobicContact CG1-CD1 3.89Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 WeakPolarHBondContact CG2-O 3.47Å; I183-T185 PolarHBondContact O-N 3.24Å; I183-L187 HydrophobicContact CG2-CD2 4.3Å
184	T	95.3	Very high	96.5	Very high	71 Å²	71	53.8 Å²	53.8	44%	0.436	33%	0.328	S	S	.	.	S	Bend	trans	-67.9	-22.9	-176	53.1	0	0	0	0	114.1	P158	P158-T184 HydrophobicContact CG-CG2 3.91Å
185	T	96	Very high	96.6	Very high	76 Å²	76	55 Å²	55	47%	0.466	33%	0.333	S	S	.	.	S	Bend	trans	-88.1	107.4	171.4	-57.2	0	0	0	0	108.9	I183 L187 L190	I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 WeakPolarHBondContact CG2-O 3.47Å; I183-T185 PolarHBondContact O-N 3.24Å; T185-L187 PolarHBondContact O-N 3.12Å; T185-L190 HydrophobicContact CG2-CD1 3.94Å; T185-L190 HydrophobicContact CG2-CD2 3.99Å; T185-L190 HydrophobicContact CG2-CG 4.04Å
186	N	98.1	Very high	96.8	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.037	30%	0.297	C	S	.	.			trans	-62.2	125.5	179.7	-165.6	-70.1	0	0	0	111.6	R88 D157 L160 V188 D189 L190	R88-N186 WeakPolarHBondContact CD-ND2 3.31Å; R88-N186 PolarHBondContact NE-ND2 2.84Å; D157-N186 WeakPolarHBondContact CB-ND2 3.27Å; D157-N186 WeakPolarHBondContact OD2-CB 3.46Å; D157-N186 PolarHBondContact OD2-ND2 2.85Å; L160-N186 WeakPolarHBondContact CD1-ND2 3.43Å; N186-V188 WeakPolarHBondContact OD1-CA 3.35Å; N186-V188 VanDerWaalsContact OD1-CB 3.31Å; N186-V188 WeakPolarHBondContact OD1-CB 3.39Å; N186-V188 PolarHBondContact OD1-N 3.29Å; N186-D189 HydrophobicContact CB-CB 4.08Å; N186-D189 VanDerWaalsContact CB-OD2 3.28Å; N186-D189 WeakPolarHBondContact CB-OD2 3.44Å; N186-D189 PolarHBondContact O-N 3.17Å; N186-D189 PolarHBondContact OD1-N 2.93Å; N186-L190 PolarHBondContact O-N 3.36Å
187	L	98.6	Very high	96.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-75.8	-25	-175.1	-55.3	-173.7	0	0	0	112.9	L57 Q60 M61 Q64 L66 Y69 I183 T185 D189 L190 V191	L57-L187 HydrophobicContact CD1-CB 3.62Å; Q60-L187 HydrophobicContact CB-CB 4.26Å; Q60-L187 HydrophobicContact CB-CD1 4.44Å; Q60-L187 HydrophobicContact CB-CD2 4.28Å; M61-L187 HydrophobicContact CG-CD1 4.01Å; Q64-L187 HydrophobicContact CG-CD2 4.15Å; L66-L187 HydrophobicContact CD1-CD1 3.74Å; Y69-L187 HydrophobicContact CD1-CB 4.39Å; Y69-L187 HydrophobicContact CD2-CD1 3.9Å; Y69-L187 HydrophobicContact CD2-CG 4.4Å; Y69-L187 HydrophobicContact CE1-CB 3.91Å; Y69-L187 HydrophobicContact CE1-CG 4.25Å; Y69-L187 HydrophobicContact CE2-CB 4.5Å; Y69-L187 HydrophobicContact CE2-CD1 3.92Å; Y69-L187 HydrophobicContact CE2-CG 3.94Å; Y69-L187 HydrophobicContact CG-CD1 4.22Å; Y69-L187 PolarHBondContact OH-N 2.9Å; I183-L187 HydrophobicContact CG2-CD2 4.3Å; T185-L187 PolarHBondContact O-N 3.12Å; L187-D189 VanDerWaalsContact C-N 3.35Å; L187-L190 HydrophobicContact CD2-CD1 4.17Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; L187-V191 PolarHBondContact O-N 2.97Å
188	V	98.6	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-40.8	173.5	-176.6	0	0	0	0	109.5	Y69 I71 R88 W91 I92 N186 L190 V191 W192	Y69-V188 HydrophobicContact CE1-CG2 4.37Å; I71-V188 HydrophobicContact CD1-CG2 3.69Å; I71-V188 HydrophobicContact CG1-CG2 4.08Å; I71-V188 HydrophobicContact CG2-CG2 4.11Å; R88-V188 HydrophobicContact CB-CB 4.2Å; R88-V188 HydrophobicContact CB-CG1 3.93Å; R88-V188 HydrophobicContact CB-CG2 4.48Å; R88-V188 HydrophobicContact CG-CB 4.34Å; R88-V188 HydrophobicContact CG-CG1 4.25Å; W91-V188 HydrophobicContact CE3-CG1 3.63Å; W91-V188 HydrophobicContact CZ3-CG1 3.9Å; I92-V188 HydrophobicContact CB-CG1 4.36Å; N186-V188 WeakPolarHBondContact OD1-CA 3.35Å; N186-V188 VanDerWaalsContact OD1-CB 3.31Å; N186-V188 WeakPolarHBondContact OD1-CB 3.39Å; N186-V188 PolarHBondContact OD1-N 3.29Å; V188-L190 VanDerWaalsContact C-N 3.29Å; V188-L190 PolarHBondContact O-N 2.96Å; V188-V191 PolarHBondContact O-N 2.94Å; V188-W192 WeakPolarHBondContact O-CB 2.99Å; V188-W192 PolarHBondContact O-N 2.84Å
189	D	98.3	Very high	96.5	Very high	32 Å²	32	54.4 Å²	54.4	17%	0.171	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-39	179.6	-62.1	-9.4	0	0	0	112.1	R88 N186 L187 V191 G193 R196	R88-D189 IonicContact CZ-OD1 3.25Å; R88-D189 IonicContact CZ-OD2 3.73Å; R88-D189 IonicContact NE-OD1 2.72Å; R88-D189 PolarHBondContact NE-OD1 3.43Å; R88-D189 IonicContact NE-OD2 3.8Å; R88-D189 PolarHBondContact NE-OD2 2.77Å; R88-D189 IonicContact NH2-OD1 3.47Å; R88-D189 IonicContact NH2-OD2 3.42Å; R88-D189 PolarHBondContact NH2-OD2 3.11Å; N186-D189 HydrophobicContact CB-CB 4.08Å; N186-D189 VanDerWaalsContact CB-OD2 3.28Å; N186-D189 WeakPolarHBondContact CB-OD2 3.44Å; N186-D189 PolarHBondContact O-N 3.17Å; N186-D189 PolarHBondContact OD1-N 2.93Å; L187-D189 VanDerWaalsContact C-N 3.35Å; D189-V191 VanDerWaalsContact C-N 3.27Å; D189-V191 PolarHBondContact O-N 3.34Å; D189-G193 PolarHBondContact O-N 2.98Å; D189-R196 IonicContact OD1-CZ 2.96Å; D189-R196 IonicContact OD1-NE 3.68Å; D189-R196 IonicContact OD1-NH1 3.8Å; D189-R196 PolarHBondContact OD1-NH1 3.47Å; D189-R196 IonicContact OD1-NH2 3.26Å; D189-R196 PolarHBondContact OD1-NH2 2.87Å; D189-R196 IonicContact OD2-CZ 3.52Å; D189-R196 VanDerWaalsContact OD2-CZ 3.27Å; D189-R196 IonicContact OD2-NH1 2.93Å; D189-R196 PolarHBondContact OD2-NH1 3.35Å; D189-R196 IonicContact OD2-NH2 3.48Å; D189-R196 PolarHBondContact OD2-NH2 2.99Å
190	L	98.1	Very high	96.3	Very high	84 Å²	84	50.4 Å²	50.4	44%	0.44	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-33.6	176.3	-64.8	180	0	0	0	112.8	Q60 T185 N186 L187 V188	Q60-L190 HydrophobicContact CG-CB 4.35Å; Q60-L190 HydrophobicContact CG-CD1 4.46Å; T185-L190 HydrophobicContact CG2-CD1 3.94Å; T185-L190 HydrophobicContact CG2-CD2 3.99Å; T185-L190 HydrophobicContact CG2-CG 4.04Å; N186-L190 PolarHBondContact O-N 3.36Å; L187-L190 HydrophobicContact CD2-CD1 4.17Å; V188-L190 VanDerWaalsContact C-N 3.29Å; V188-L190 PolarHBondContact O-N 2.96Å
191	V	98	Very high	96	Very high	30 Å²	30	54 Å²	54	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-86.8	-35.6	-177.4	-178.5	0	0	0	0	111.3	A56 L57 Q60 W91 L187 V188 D189 G193	A56-V191 HydrophobicContact CB-CB 4.43Å; A56-V191 HydrophobicContact CB-CG1 3.43Å; A56-V191 VanDerWaalsContact CB-CG1 3.43Å; A56-V191 HydrophobicContact CB-CG2 4.11Å; L57-V191 HydrophobicContact CB-CG2 4.31Å; Q60-V191 HydrophobicContact CG-CG2 3.78Å; W91-V191 HydrophobicContact CH2-CB 4.4Å; W91-V191 HydrophobicContact CH2-CG1 3.96Å; W91-V191 HydrophobicContact CZ3-CB 4.44Å; W91-V191 HydrophobicContact CZ3-CG1 4.27Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; L187-V191 PolarHBondContact O-N 2.97Å; V188-V191 PolarHBondContact O-N 2.94Å; D189-V191 VanDerWaalsContact C-N 3.27Å; D189-V191 PolarHBondContact O-N 3.34Å; V191-G193 VanDerWaalsContact C-N 3.3Å
192	W	97.8	Very high	95.8	Very high	18 Å²	18	57.1 Å²	57.1	7%	0.068	33%	0.333	C	S	.	.	H	α-helix	trans	-67	-35	173.7	-160.9	-8.4	0	0	0	111.1	Q84 E87 R88 W91 V188 S194 E195 R196 P197	Q84-W192 WeakPolarHBondContact O-CH2 3.43Å; E87-W192 HydrophobicContact CB-CH2 4.46Å; R88-W192 HydrophobicContact CG-CZ3 4.3Å; W91-W192 HydrophobicContact CB-CD2 4.16Å; W91-W192 HydrophobicContact CB-CE3 4.06Å; W91-W192 HydrophobicContact CB-CH2 3.68Å; W91-W192 HydrophobicContact CB-CZ2 3.78Å; W91-W192 HydrophobicContact CB-CZ3 3.83Å; W91-W192 AromaticContact CD1-CD1 3.86Å; W91-W192 AromaticContact CD1-CD2 3.88Å; W91-W192 AromaticContact CD1-CE2 3.26Å; W91-W192 AromaticContact CD1-CZ2 3.52Å; W91-W192 AromaticContact CD1-NE1 3.29Å; W91-W192 VanDerWaalsContact CD1-NE1 3.29Å; W91-W192 HydrophobicContact CD2-CB 4.15Å; W91-W192 AromaticContact CD2-CD1 3.85Å; W91-W192 AromaticContact CD2-CD2 3.61Å; W91-W192 HydrophobicContact CD2-CD2 3.61Å; W91-W192 AromaticContact CD2-CE2 3.86Å; W91-W192 HydrophobicContact CD2-CE3 4.11Å; W91-W192 AromaticContact CD2-CG 3.64Å; W91-W192 HydrophobicContact CD2-CG 3.64Å; W91-W192 AromaticContact CE2-CD1 3.31Å; W91-W192 AromaticContact CE2-CD2 3.93Å; W91-W192 AromaticContact CE2-CE2 3.97Å; W91-W192 AromaticContact CE2-CG 3.54Å; W91-W192 AromaticContact CE2-NE1 3.62Å; W91-W192 HydrophobicContact CE3-CB 4.02Å; W91-W192 HydrophobicContact CE3-CD2 4.1Å; W91-W192 HydrophobicContact CE3-CE3 4.32Å; W91-W192 HydrophobicContact CE3-CG 4Å; W91-W192 AromaticContact CG-CD2 3.61Å; W91-W192 HydrophobicContact CG-CD2 3.61Å; W91-W192 AromaticContact CG-CE2 3.42Å; W91-W192 VanDerWaalsContact CG-CE2 3.42Å; W91-W192 AromaticContact CG-CE3 3.98Å; W91-W192 HydrophobicContact CG-CE3 3.98Å; W91-W192 HydrophobicContact CG-CG 4.1Å; W91-W192 HydrophobicContact CG-CH2 4.04Å; W91-W192 AromaticContact CG-CZ2 3.65Å; W91-W192 HydrophobicContact CG-CZ2 3.65Å; W91-W192 HydrophobicContact CG-CZ3 4.19Å; W91-W192 AromaticContact CG-NE1 3.82Å; W91-W192 HydrophobicContact CH2-CB 3.8Å; W91-W192 HydrophobicContact CH2-CG 4.17Å; W91-W192 HydrophobicContact CZ2-CB 3.94Å; W91-W192 AromaticContact CZ2-CD1 3.63Å; W91-W192 AromaticContact CZ2-CG 3.84Å; W91-W192 HydrophobicContact CZ2-CG 3.84Å; W91-W192 HydrophobicContact CZ3-CB 3.83Å; W91-W192 HydrophobicContact CZ3-CG 4.24Å; W91-W192 AromaticContact NE1-CD1 3.31Å; W91-W192 VanDerWaalsContact NE1-CD1 3.31Å; W91-W192 AromaticContact NE1-CE2 3.6Å; W91-W192 AromaticContact NE1-CG 3.91Å; W91-W192 AromaticContact NE1-NE1 3.13Å; W91-W192 VanDerWaalsContact NE1-NE1 3.13Å; V188-W192 WeakPolarHBondContact O-CB 2.99Å; V188-W192 PolarHBondContact O-N 2.84Å; W192-S194 PolarHBondContact O-N 3.46Å; W192-E195 VanDerWaalsContact NE1-C 3.34Å; W192-E195 PolarHBondContact NE1-O 2.96Å; W192-E195 PolarHBondContact O-N 3.42Å; W192-R196 HydrophobicContact CB-CB 4.27Å; W192-R196 VanDerWaalsContact CD1-N 3.33Å; W192-R196 HydrophobicContact CD2-CB 3.84Å; W192-R196 HydrophobicContact CD2-CG 3.84Å; W192-R196 HydrophobicContact CE3-CB 4.36Å; W192-R196 HydrophobicContact CE3-CG 3.86Å; W192-R196 HydrophobicContact CG-CB 3.76Å; W192-R196 HydrophobicContact CG-CG 4.25Å; W192-R196 HydrophobicContact CZ3-CG 4.27Å; W192-P197 HydrophobicContact CZ2-CG 4.23Å
193	G	96.4	Very high	95.8	Very high	42 Å²	42	59.4 Å²	59.4	43%	0.433	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	57.1	-130.6	169.2	0	0	0	0	0	112.3	D189 V191 E195 R196	D189-G193 PolarHBondContact O-N 2.98Å; V191-G193 VanDerWaalsContact C-N 3.3Å; G193-E195 VanDerWaalsContact C-N 3.29Å; G193-E195 PolarHBondContact O-N 3.08Å; G193-R196 WeakPolarHBondContact O-CB 3.17Å; G193-R196 PolarHBondContact O-N 3.16Å
194	S	95.1	Very high	95.9	Very high	125 Å²	125	58.6 Å²	58.6	87%	0.874	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-75.2	-13.3	-176.8	54.8	0	0	0	0	114.7	W192	W192-S194 PolarHBondContact O-N 3.46Å
195	E	95.6	Very high	96	Very high	148 Å²	148	58.4 Å²	58.4	69%	0.692	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-79.8	-10.1	176.4	-66.7	-179.1	179.4	0	0	112.2	W192 G193 P197	W192-E195 VanDerWaalsContact NE1-C 3.34Å; W192-E195 PolarHBondContact NE1-O 2.96Å; W192-E195 PolarHBondContact O-N 3.42Å; G193-E195 VanDerWaalsContact C-N 3.29Å; G193-E195 PolarHBondContact O-N 3.08Å; E195-P197 WeakPolarHBondContact O-CD 3.44Å
196	R	97	Very high	96.1	Very high	44 Å²	44	56.1 Å²	56.1	17%	0.166	32%	0.324	C	S	.	.	S	Bend	trans	-65.1	126.2	177.2	-171	177.6	179.6	-163.7	6.9	110.3	H85 D86 D189 W192 G193	H85-R196 PolarHBondContact CD2-NH2 3.08Å; H85-R196 PolarHBondContact CE1-NE 2.79Å; H85-R196 PolarHBondContact NE2-NH1 2.86Å; H85-R196 PolarHBondContact NE2-NH2 3.12Å; H85-R196 VanDerWaalsContact O-CZ 3.27Å; H85-R196 PolarHBondContact O-NE 2.77Å; H85-R196 PolarHBondContact O-NH2 2.92Å; D86-R196 IonicContact OD1-NH2 2.71Å; D189-R196 IonicContact OD1-CZ 2.96Å; D189-R196 IonicContact OD1-NE 3.68Å; D189-R196 IonicContact OD1-NH1 3.8Å; D189-R196 PolarHBondContact OD1-NH1 3.47Å; D189-R196 IonicContact OD1-NH2 3.26Å; D189-R196 PolarHBondContact OD1-NH2 2.87Å; D189-R196 IonicContact OD2-CZ 3.52Å; D189-R196 VanDerWaalsContact OD2-CZ 3.27Å; D189-R196 IonicContact OD2-NH1 2.93Å; D189-R196 PolarHBondContact OD2-NH1 3.35Å; D189-R196 IonicContact OD2-NH2 3.48Å; D189-R196 PolarHBondContact OD2-NH2 2.99Å; W192-R196 HydrophobicContact CB-CB 4.27Å; W192-R196 VanDerWaalsContact CD1-N 3.33Å; W192-R196 HydrophobicContact CD2-CB 3.84Å; W192-R196 HydrophobicContact CD2-CG 3.84Å; W192-R196 HydrophobicContact CE3-CB 4.36Å; W192-R196 HydrophobicContact CE3-CG 3.86Å; W192-R196 HydrophobicContact CG-CB 3.76Å; W192-R196 HydrophobicContact CG-CG 4.25Å; W192-R196 HydrophobicContact CZ3-CG 4.27Å; G193-R196 WeakPolarHBondContact O-CB 3.17Å; G193-R196 PolarHBondContact O-N 3.16Å
197	P	95.9	Very high	96.1	Very high	33 Å²	33	56.2 Å²	56.2	21%	0.214	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-55.2	142.2	177.5	-26.8	35.2	0	0	0	111.5	Q84 H85 W192 E195	Q84-P197 HydrophobicContact CB-CB 4.19Å; Q84-P197 HydrophobicContact CB-CG 4.1Å; H85-P197 PolarHBondContact ND1-O 3.46Å; W192-P197 HydrophobicContact CZ2-CG 4.23Å; E195-P197 WeakPolarHBondContact O-CD 3.44Å
198	P	93.8	Very high	95.9	Very high	113 Å²	113	61.7 Å²	61.7	73%	0.734	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-67.3	153.7	175.1	29.7	-34.8	0	0	0	110.8
199	V	90	Very high	95.8	Very high	68 Å²	68	68.8 Å²	68.8	41%	0.412	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-62.1	137.9	168.7	-176.5	0	0	0	0	108.9	H85 Y263	H85-V199 VanDerWaalsContact CE1-CG2 3.46Å; H85-V199 WeakPolarHBondContact CE1-CG2 3.47Å; H85-V199 WeakPolarHBondContact NE2-CG2 3.38Å; V199-Y263 HydrophobicContact CG1-CD2 3.69Å; V199-Y263 HydrophobicContact CG1-CE2 3.87Å
200	P	90.1	Very high	95.7	Very high	42 Å²	42	70 Å²	70	27%	0.273	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-53.3	140.9	174.2	-28.7	37.2	0	0	0	112.8	D255 R281	P200-D255 HydrophobicContact CB-CB 4.36Å; P200-D255 HydrophobicContact CG-CB 4.47Å; P200-R281 PolarHBondContact O-NH1 2.62Å; P200-R281 VanDerWaalsContact O-NH1 3.12Å
201	N	91.9	Very high	95.6	Very high	103 Å²	103	67 Å²	67	55%	0.551	38%	0.381	S	S	*	.			trans	-123	27.5	-175.6	-164.2	43.8	0	0	0	112.7	R281	N201-R281 WeakPolarHBondContact OD1-CD 3.38Å; N201-R281 WeakPolarHBondContact OD1-CG 3.48Å
202	Q	93.4	Very high	95.4	Very high	108 Å²	108	66 Å²	66	51%	0.505	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-68.4	151	-179.7	-63.9	-58.8	-24.8	0	0	111.4	I204 R281	Q202-I204 PolarHBondContact O-N 3.44Å; Q202-R281 PolarHBondContact O-NE 3.09Å; Q202-R281 PolarHBondContact O-NH2 2.98Å
203	P	97.3	Very high	95.2	Very high	84 Å²	84	66 Å²	66	55%	0.545	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-58.1	141	179.4	-24.7	34.5	0	0	0	112.9
204	I	98.6	Very high	95.3	Very high	2 Å²	2	66 Å²	66	1%	0.01	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-92.3	124.5	168.1	-61.8	166.3	0	0	0	107	Q202 L251 A253 F262 A277 R281 F282 T286	Q202-I204 PolarHBondContact O-N 3.44Å; I204-L251 HydrophobicContact CG2-CB 4.2Å; I204-L251 HydrophobicContact CG2-CD1 4.17Å; I204-A253 HydrophobicContact CG1-CB 4.26Å; I204-F262 HydrophobicContact CD1-CB 4.07Å; I204-F262 HydrophobicContact CD1-CD2 3.61Å; I204-F262 HydrophobicContact CD1-CE2 4.19Å; I204-F262 HydrophobicContact CD1-CG 3.8Å; I204-F262 HydrophobicContact CG1-CB 4.04Å; I204-F262 HydrophobicContact CG1-CD1 4.22Å; I204-F262 HydrophobicContact CG1-CD2 4.18Å; I204-F262 HydrophobicContact CG1-CG 3.87Å; I204-F262 HydrophobicContact CG2-CD1 3.91Å; I204-F262 HydrophobicContact CG2-CD2 4.42Å; I204-F262 HydrophobicContact CG2-CE1 3.78Å; I204-F262 HydrophobicContact CG2-CE2 4.27Å; I204-F262 HydrophobicContact CG2-CG 4.25Å; I204-F262 HydrophobicContact CG2-CZ 3.96Å; I204-A277 HydrophobicContact CD1-CB 4.46Å; I204-R281 HydrophobicContact CD1-CB 4.06Å; I204-R281 HydrophobicContact CG1-CB 4.15Å; I204-R281 PolarHBondContact N-O 2.97Å; I204-F282 HydrophobicContact CB-CD1 4.37Å; I204-F282 HydrophobicContact CB-CE1 4.18Å; I204-F282 HydrophobicContact CB-CZ 4.34Å; I204-F282 HydrophobicContact CD1-CD2 4.31Å; I204-F282 HydrophobicContact CD1-CE1 4.33Å; I204-F282 HydrophobicContact CD1-CE2 3.62Å; I204-F282 HydrophobicContact CD1-CZ 3.63Å; I204-F282 HydrophobicContact CG2-CD1 4.27Å; I204-F282 HydrophobicContact CG2-CE1 3.75Å; I204-F282 HydrophobicContact CG2-CZ 4.1Å; I204-T286 PolarHBondContact O-OG1 3.25Å
205	Y	98.1	Very high	95.4	Very high	67 Å²	67	62.4 Å²	62.4	26%	0.263	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.1	-172.5	64.8	-87	0	0	0	112.3	L207 L251 R252	Y205-L207 HydrophobicContact CE2-CD2 4.06Å; Y205-L251 CarbonylContact O-C 3.04Å; Y205-L251 VanDerWaalsContact O-CA 3.28Å; Y205-L251 WeakPolarHBondContact O-CA 3.4Å; Y205-R252 WeakPolarHBondContact CD1-O 3.39Å; Y205-R252 HydrophobicContact CE1-CB 4.01Å; Y205-R252 HydrophobicContact CE2-CB 3.9Å; Y205-R252 PolarHBondContact N-O 3.14Å; Y205-R252 VanDerWaalsContact N-O 3.09Å; Y205-R252 PolarHBondContact O-N 2.94Å
206	A	98.2	Very high	95.6	Very high	28 Å²	28	55.3 Å²	55.3	23%	0.231	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135.3	172.9	0	0	0	0	0	111.3	L251 Y289	A206-L251 HydrophobicContact CB-CD2 3.94Å; A206-Y289 HydrophobicContact CB-CD1 3.65Å; A206-Y289 HydrophobicContact CB-CD2 4.1Å; A206-Y289 HydrophobicContact CB-CE1 3.7Å; A206-Y289 HydrophobicContact CB-CE2 4.13Å; A206-Y289 HydrophobicContact CB-CG 3.85Å
207	L	96.6	Very high	95.6	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.052	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.6	141	170.8	-72.9	174.2	0	0	0	110.7	Y205 T212 N250 R252 F529	Y205-L207 HydrophobicContact CE2-CD2 4.06Å; L207-T212 HydrophobicContact CB-CG2 3.71Å; L207-T212 HydrophobicContact CD1-CG2 4.49Å; L207-N250 PolarHBondContact N-O 3.36Å; L207-R252 HydrophobicContact CD1-CG 3.63Å; L207-R252 VanDerWaalsContact CD1-CZ 3.44Å; L207-R252 HydrophobicContact CD2-CG 3.78Å; L207-R252 HydrophobicContact CG-CG 3.6Å; L207-F529 HydrophobicContact CD1-CD1 4.02Å; L207-F529 HydrophobicContact CD2-CD1 3.79Å; L207-F529 HydrophobicContact CD2-CE1 3.61Å
208	Q	96.1	Very high	95.8	Very high	115 Å²	115	60 Å²	60	54%	0.537	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-66	147.9	176.1	-55.5	179.4	13.7	0	0	110.4	A210 F211	Q208-A210 PolarHBondContact O-N 3.22Å; Q208-F211 HydrophobicContact CB-CD2 3.98Å; Q208-F211 HydrophobicContact CB-CE2 4.36Å; Q208-F211 PolarHBondContact O-N 3.28Å
209	E	94.8	Very high	96	Very high	149 Å²	149	55.2 Å²	55.2	70%	0.696	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-54.6	-34.6	-176.1	-170.4	-178	159.8	0	0	112.6	F211 T212 K360	E209-F211 PolarHBondContact O-N 3.35Å; E209-F211 VanDerWaalsContact O-N 3.08Å; E209-T212 PolarHBondContact O-N 2.8Å; E209-T212 VanDerWaalsContact O-N 3.07Å; E209-T212 PolarHBondContact O-OG1 3.29Å; E209-K360 PolarHBondContact O-NZ 2.64Å
210	A	96.6	Very high	96.4	Very high	58 Å²	58	52 Å²	52	48%	0.479	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-52.5	-31.8	176.4	0	0	0	0	0	113.5	Q208 K360	Q208-A210 PolarHBondContact O-N 3.22Å; A210-K360 WeakPolarHBondContact O-CE 3.29Å
211	F	96.9	Very high	96.8	Very high	19 Å²	19	52.4 Å²	52.4	8%	0.083	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-100.2	-0.8	-175.9	-58.3	-63.1	0	0	0	114.1	Q208 E209 F410 W456 D457	Q208-F211 HydrophobicContact CB-CD2 3.98Å; Q208-F211 HydrophobicContact CB-CE2 4.36Å; Q208-F211 PolarHBondContact O-N 3.28Å; E209-F211 PolarHBondContact O-N 3.35Å; E209-F211 VanDerWaalsContact O-N 3.08Å; F211-F410 HydrophobicContact CE1-CD1 4.03Å; F211-F410 HydrophobicContact CE1-CD2 4.08Å; F211-F410 HydrophobicContact CE1-CE1 4.11Å; F211-F410 HydrophobicContact CE1-CE2 4.14Å; F211-F410 HydrophobicContact CE1-CG 4.03Å; F211-F410 HydrophobicContact CE1-CZ 4.15Å; F211-F410 AromaticContact CZ-CD1 3.67Å; F211-F410 HydrophobicContact CZ-CD1 3.67Å; F211-F410 AromaticContact CZ-CE1 3.6Å; F211-F410 HydrophobicContact CZ-CE1 3.6Å; F211-F410 HydrophobicContact CZ-CE2 4.43Å; F211-F410 HydrophobicContact CZ-CG 4.15Å; F211-F410 AromaticContact CZ-CZ 4Å; F211-F410 HydrophobicContact CZ-CZ 4Å; F211-W456 WeakPolarHBondContact CB-O 3.35Å; F211-W456 HydrophobicContact CD1-CB 4Å; F211-W456 HydrophobicContact CD2-CB 4.22Å; F211-W456 AromaticContact CD2-CE3 3.9Å; F211-W456 HydrophobicContact CD2-CE3 3.9Å; F211-W456 HydrophobicContact CE1-CB 4.18Å; F211-W456 HydrophobicContact CE2-CB 4.43Å; F211-W456 AromaticContact CE2-CE3 3.6Å; F211-W456 HydrophobicContact CE2-CE3 3.6Å; F211-W456 HydrophobicContact CE2-CZ3 4.3Å; F211-W456 HydrophobicContact CG-CB 4.02Å; F211-W456 HydrophobicContact CZ-CB 4.4Å; F211-W456 HydrophobicContact CZ-CE3 4.23Å; F211-D457 HydrophobicContact CD1-CB 3.83Å; F211-D457 HydrophobicContact CE1-CB 4.16Å
212	T	94.3	Very high	97.1	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.055	28%	0.275	C	S	.	.			trans	-112	138.3	-178	65.2	0	0	0	0	110.6	L207 E209 N250 K360	L207-T212 HydrophobicContact CB-CG2 3.71Å; L207-T212 HydrophobicContact CD1-CG2 4.49Å; E209-T212 PolarHBondContact O-N 2.8Å; E209-T212 VanDerWaalsContact O-N 3.07Å; E209-T212 PolarHBondContact O-OG1 3.29Å; T212-N250 HydrophobicContact CG2-CB 3.81Å; T212-K360 VanDerWaalsContact O-CD 3.29Å; T212-K360 WeakPolarHBondContact O-CD 3.37Å; T212-K360 WeakPolarHBondContact O-CE 3.44Å; T212-K360 PolarHBondContact O-NZ 3.24Å
213	G	93.4	Very high	97.4	Very high	19 Å²	19	43.8 Å²	43.8	20%	0.196	25%	0.251	C	S	.	.	S	Bend	trans	-77.9	-28.3	177.4	0	0	0	0	0	114.4	N358	G213-N358 WeakPolarHBondContact CA-ND2 3.38Å
214	S	97.1	Very high	97.5	Very high	41 Å²	41	40.9 Å²	40.9	29%	0.287	23%	0.229	S	C	.	.	S	Bend	trans	-151.5	155.3	178.6	-50.3	0	0	0	0	110	N250	S214-N250 PolarHBondContact O-ND2 2.9Å
215	T	98.3	Very high	97.5	Very high	50 Å²	50	43 Å²	43	31%	0.307	25%	0.245	S	C	.	.			trans	-67.5	157.5	175.2	65.5	0	0	0	0	110.9	Q217 E218 K219	T215-Q217 PolarHBondContact O-N 3.36Å; T215-E218 WeakPolarHBondContact CB-OE2 3.4Å; T215-E218 PolarHBondContact N-OE2 3.03Å; T215-E218 PolarHBondContact O-N 3.26Å; T215-E218 WeakPolarHBondContact OG1-CB 3.32Å; T215-E218 VanDerWaalsContact OG1-CD 3.23Å; T215-E218 WeakPolarHBondContact OG1-CG 3.28Å; T215-E218 PolarHBondContact OG1-N 2.91Å; T215-E218 PolarHBondContact OG1-OE2 3.22Å; T215-K219 WeakPolarHBondContact O-CG 3.13Å; T215-K219 PolarHBondContact O-N 3.19Å
216	W	98.6	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.9	-31.1	178.1	70.9	-97.8	0	0	0	112.1	K219 V220 L248 F249 N250 I273 Y289 M298 V300	W216-K219 PolarHBondContact O-N 2.7Å; W216-V220 HydrophobicContact CE3-CG2 3.86Å; W216-V220 HydrophobicContact CZ3-CG2 4.17Å; W216-V220 WeakPolarHBondContact O-CB 2.92Å; W216-V220 WeakPolarHBondContact O-CG2 3.41Å; W216-V220 PolarHBondContact O-N 3.14Å; W216-L248 WeakPolarHBondContact CA-O 3.36Å; W216-L248 VanDerWaalsContact CB-O 3.23Å; W216-L248 WeakPolarHBondContact CB-O 3.18Å; W216-F249 HydrophobicContact CD2-CD1 4.43Å; W216-F249 HydrophobicContact CE3-CD1 4.13Å; W216-F249 HydrophobicContact CE3-CE1 4.31Å; W216-N250 PolarHBondContact N-ND2 2.83Å; W216-I273 HydrophobicContact CZ3-CD1 3.9Å; W216-Y289 AromaticContact CD1-CE1 3.46Å; W216-Y289 VanDerWaalsContact CD1-CE1 3.46Å; W216-Y289 AromaticContact CD1-CZ 3.38Å; W216-Y289 HydrophobicContact CG-CE1 4.39Å; W216-Y289 AromaticContact NE1-CE1 3.83Å; W216-Y289 AromaticContact NE1-CZ 3.97Å; W216-Y289 PolarHBondContact NE1-O 3.45Å; W216-Y289 VanDerWaalsContact NE1-O 3.11Å; W216-M298 HydrophobicContact CH2-CB 4.29Å; W216-M298 WeakPolarHBondContact CH2-O 3.5Å; W216-M298 HydrophobicContact CZ3-SD 4.26Å; W216-V300 HydrophobicContact CH2-CG2 4.08Å; W216-V300 HydrophobicContact CZ3-CG2 4.2Å
217	Q	98.5	Very high	97.5	Very high	64 Å²	64	41.7 Å²	41.7	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-41.1	177.9	-62.2	88.6	-25.6	0	0	111.5	T215 S221	T215-Q217 PolarHBondContact O-N 3.36Å; Q217-S221 WeakPolarHBondContact O-CB 3.46Å; Q217-S221 PolarHBondContact O-N 3.46Å; Q217-S221 PolarHBondContact O-OG 3.45Å
218	E	98.6	Very high	97.5	Very high	112 Å²	112	48.4 Å²	48.4	52%	0.523	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-44.3	173.1	-73.5	164.3	143.7	0	0	110.8	T215 S221 G222	T215-E218 WeakPolarHBondContact CB-OE2 3.4Å; T215-E218 PolarHBondContact N-OE2 3.03Å; T215-E218 PolarHBondContact O-N 3.26Å; T215-E218 WeakPolarHBondContact OG1-CB 3.32Å; T215-E218 VanDerWaalsContact OG1-CD 3.23Å; T215-E218 WeakPolarHBondContact OG1-CG 3.28Å; T215-E218 PolarHBondContact OG1-N 2.91Å; T215-E218 PolarHBondContact OG1-OE2 3.22Å; E218-S221 PolarHBondContact O-N 3.07Å; E218-G222 PolarHBondContact O-N 3.04Å
219	K	98.8	Very high	97.6	Very high	12 Å²	12	51.2 Å²	51.2	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-49	177.1	-66.6	173.7	172.3	-173	0	111.7	T215 W216 S221 G222 V223 W247 L248 N250	T215-K219 WeakPolarHBondContact O-CG 3.13Å; T215-K219 PolarHBondContact O-N 3.19Å; W216-K219 PolarHBondContact O-N 2.7Å; K219-S221 VanDerWaalsContact C-N 3.33Å; K219-S221 PolarHBondContact O-N 2.72Å; K219-G222 WeakPolarHBondContact O-CA 3.24Å; K219-G222 PolarHBondContact O-N 3.01Å; K219-G222 VanDerWaalsContact O-N 3.14Å; K219-V223 WeakPolarHBondContact O-CG2 3.46Å; K219-V223 PolarHBondContact O-N 3.13Å; K219-W247 HydrophobicContact CB-CH2 4.22Å; K219-W247 HydrophobicContact CB-CZ3 4.03Å; K219-W247 HydrophobicContact CD-CD2 4.13Å; K219-W247 HydrophobicContact CD-CE3 3.95Å; K219-W247 HydrophobicContact CD-CH2 3.82Å; K219-W247 HydrophobicContact CD-CZ2 3.99Å; K219-W247 HydrophobicContact CD-CZ3 3.8Å; K219-W247 WeakPolarHBondContact CD-O 3.09Å; K219-W247 HydrophobicContact CG-CH2 3.71Å; K219-W247 HydrophobicContact CG-CZ2 4.2Å; K219-W247 HydrophobicContact CG-CZ3 3.92Å; K219-W247 PolarHBondContact NZ-O 3.16Å; K219-L248 HydrophobicContact CB-CD1 3.92Å; K219-N250 PolarHBondContact NZ-OD1 3.4Å
220	V	98.8	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-43.8	175.4	165	0	0	0	0	111.7	W216 G222 V223 R224 L248 F249 L268 I273 M298	W216-V220 HydrophobicContact CE3-CG2 3.86Å; W216-V220 HydrophobicContact CZ3-CG2 4.17Å; W216-V220 WeakPolarHBondContact O-CB 2.92Å; W216-V220 WeakPolarHBondContact O-CG2 3.41Å; W216-V220 PolarHBondContact O-N 3.14Å; V220-G222 VanDerWaalsContact C-N 3.31Å; V220-G222 PolarHBondContact O-N 3.1Å; V220-V223 PolarHBondContact O-N 3.03Å; V220-R224 WeakPolarHBondContact O-CG 3.35Å; V220-R224 PolarHBondContact O-N 3.03Å; V220-L248 HydrophobicContact CG2-CD1 3.87Å; V220-L248 HydrophobicContact CG2-CD2 4.34Å; V220-L248 HydrophobicContact CG2-CG 4.1Å; V220-F249 HydrophobicContact CG2-CE1 4.38Å; V220-L268 HydrophobicContact CG1-CD1 3.88Å; V220-L268 HydrophobicContact CG1-CD2 4.45Å; V220-I273 HydrophobicContact CG1-CD1 4.02Å; V220-I273 HydrophobicContact CG2-CD1 4.19Å; V220-M298 HydrophobicContact CB-SD 4.47Å; V220-M298 HydrophobicContact CG1-CE 4.17Å; V220-M298 HydrophobicContact CG1-SD 3.91Å
221	S	98.7	Very high	97.8	Very high	50 Å²	50	52.8 Å²	52.8	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-39.7	176.5	-58.6	0	0	0	0	111.8	Q217 E218 K219 S225 M298	Q217-S221 WeakPolarHBondContact O-CB 3.46Å; Q217-S221 PolarHBondContact O-N 3.46Å; Q217-S221 PolarHBondContact O-OG 3.45Å; E218-S221 PolarHBondContact O-N 3.07Å; K219-S221 VanDerWaalsContact C-N 3.33Å; K219-S221 PolarHBondContact O-N 2.72Å; S221-S225 WeakPolarHBondContact O-CB 3Å; S221-S225 PolarHBondContact O-N 2.81Å; S221-S225 PolarHBondContact O-OG 3.23Å; S221-M298 WeakPolarHBondContact OG-CE 3.3Å
222	G	98.5	Very high	97.8	Very high	29 Å²	29	57.4 Å²	57.4	30%	0.299	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-48.2	174.3	0	0	0	0	0	112.3	E218 K219 V220 S225 Q226	E218-G222 PolarHBondContact O-N 3.04Å; K219-G222 WeakPolarHBondContact O-CA 3.24Å; K219-G222 PolarHBondContact O-N 3.01Å; K219-G222 VanDerWaalsContact O-N 3.14Å; V220-G222 VanDerWaalsContact C-N 3.31Å; V220-G222 PolarHBondContact O-N 3.1Å; G222-S225 WeakPolarHBondContact O-CB 3.25Å; G222-S225 PolarHBondContact O-N 3.08Å; G222-Q226 WeakPolarHBondContact O-CG 3.47Å; G222-Q226 PolarHBondContact O-N 3.49Å
223	V	98.7	Very high	97.9	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-44	177.9	177.6	0	0	0	0	111.3	K219 V220 S225 Q226 M227 V237 L248 L268 P349 V350	K219-V223 WeakPolarHBondContact O-CG2 3.46Å; K219-V223 PolarHBondContact O-N 3.13Å; V220-V223 PolarHBondContact O-N 3.03Å; V223-S225 VanDerWaalsContact C-N 3.28Å; V223-S225 PolarHBondContact O-N 2.7Å; V223-Q226 WeakPolarHBondContact O-CA 3.26Å; V223-Q226 WeakPolarHBondContact O-CB 3.28Å; V223-Q226 PolarHBondContact O-N 3.01Å; V223-M227 WeakPolarHBondContact O-CG 3.48Å; V223-M227 PolarHBondContact O-N 2.9Å; V223-V237 HydrophobicContact CG1-CG2 4.1Å; V223-L248 HydrophobicContact CG2-CD1 4.17Å; V223-L268 HydrophobicContact CB-CD2 3.86Å; V223-L268 HydrophobicContact CG1-CD2 3.62Å; V223-P349 HydrophobicContact CG1-CB 4.44Å; V223-P349 HydrophobicContact CG1-CG 3.91Å; V223-V350 HydrophobicContact CG1-CG2 4.47Å; V223-V350 HydrophobicContact CG2-CG2 3.62Å
224	R	98.7	Very high	98.1	Very high	22 Å²	22	58.4 Å²	58.4	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-37.3	174.2	-75.6	178.9	173.9	146.5	0.5	112.8	V220 Q226 M227 Q228 T269 V270 S272 P297	V220-R224 WeakPolarHBondContact O-CG 3.35Å; V220-R224 PolarHBondContact O-N 3.03Å; R224-Q226 VanDerWaalsContact C-N 3.31Å; R224-Q226 PolarHBondContact O-N 3.38Å; R224-M227 HydrophobicContact CG-SD 4.3Å; R224-M227 WeakPolarHBondContact O-CB 3.46Å; R224-M227 PolarHBondContact O-N 2.84Å; R224-Q228 WeakPolarHBondContact O-CG 3.49Å; R224-Q228 PolarHBondContact O-N 2.98Å; R224-T269 PolarHBondContact NE-O 3.11Å; R224-T269 PolarHBondContact NH2-O 3.47Å; R224-T269 VanDerWaalsContact NH2-O 3.13Å; R224-V270 PolarHBondContact NE-O 3.43Å; R224-S272 PolarHBondContact NH2-O 2.91Å; R224-P297 PolarHBondContact NH1-O 3.01Å; R224-P297 PolarHBondContact NH2-O 3.46Å
225	S	98.5	Very high	98.2	Very high	48 Å²	48	57.8 Å²	57.8	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-36.7	174.2	-59.5	0	0	0	0	111.7	S221 G222 V223 Q228 K229	S221-S225 WeakPolarHBondContact O-CB 3Å; S221-S225 PolarHBondContact O-N 2.81Å; S221-S225 PolarHBondContact O-OG 3.23Å; G222-S225 WeakPolarHBondContact O-CB 3.25Å; G222-S225 PolarHBondContact O-N 3.08Å; V223-S225 VanDerWaalsContact C-N 3.28Å; V223-S225 PolarHBondContact O-N 2.7Å; S225-Q228 PolarHBondContact O-N 2.9Å; S225-K229 VanDerWaalsContact O-CG 3.31Å; S225-K229 WeakPolarHBondContact O-CG 3.33Å; S225-K229 PolarHBondContact O-N 2.74Å; S225-K229 VanDerWaalsContact O-N 3.13Å
226	Q	98.5	Very high	98.2	Very high	64 Å²	64	55.4 Å²	55.4	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-42.1	173	-68	179.5	61.2	0	0	111.5	G222 V223 R224 Q228 K229 H230 W323 P349 T353	G222-Q226 WeakPolarHBondContact O-CG 3.47Å; G222-Q226 PolarHBondContact O-N 3.49Å; V223-Q226 WeakPolarHBondContact O-CA 3.26Å; V223-Q226 WeakPolarHBondContact O-CB 3.28Å; V223-Q226 PolarHBondContact O-N 3.01Å; R224-Q226 VanDerWaalsContact C-N 3.31Å; R224-Q226 PolarHBondContact O-N 3.38Å; Q226-Q228 VanDerWaalsContact C-N 3.3Å; Q226-Q228 PolarHBondContact O-N 2.76Å; Q226-K229 PolarHBondContact O-N 3.04Å; Q226-H230 WeakPolarHBondContact O-CB 3.2Å; Q226-H230 PolarHBondContact O-N 3.36Å; Q226-W323 HydrophobicContact CB-CZ3 4.4Å; Q226-P349 HydrophobicContact CB-CB 4.35Å; Q226-P349 VanDerWaalsContact OE1-CB 3.29Å; Q226-T353 PolarHBondContact NE2-OG1 3.13Å
227	M	98.6	Very high	98.2	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-56.8	-43.1	173.7	-64.7	165.6	63.2	0	0	112.1	V223 R224 H230 P234 T235 V237 V270 W323	V223-M227 WeakPolarHBondContact O-CG 3.48Å; V223-M227 PolarHBondContact O-N 2.9Å; R224-M227 HydrophobicContact CG-SD 4.3Å; R224-M227 WeakPolarHBondContact O-CB 3.46Å; R224-M227 PolarHBondContact O-N 2.84Å; M227-H230 PolarHBondContact O-N 3.48Å; M227-P234 HydrophobicContact CB-CG 4.14Å; M227-P234 WeakPolarHBondContact CE-O 3.26Å; M227-P234 HydrophobicContact CG-CG 4.32Å; M227-P234 WeakPolarHBondContact O-CD 3.35Å; M227-T235 WeakPolarHBondContact CE-O 3.4Å; M227-V237 HydrophobicContact CE-CG2 4.48Å; M227-V237 HydrophobicContact CG-CG2 3.6Å; M227-V237 HydrophobicContact SD-CG2 3.71Å; M227-V270 HydrophobicContact CE-CG1 3.95Å; M227-W323 HydrophobicContact CG-CE3 4.2Å; M227-W323 HydrophobicContact CG-CZ3 4.39Å
228	Q	97.7	Very high	98.2	Very high	151 Å²	151	52.5 Å²	52.5	71%	0.706	27%	0.268	S	S	*	.	H	α-helix	trans	-65.9	-36	177.8	-71.4	171.7	2.4	0	0	113.1	R224 S225 Q226	R224-Q228 WeakPolarHBondContact O-CG 3.49Å; R224-Q228 PolarHBondContact O-N 2.98Å; S225-Q228 PolarHBondContact O-N 2.9Å; Q226-Q228 VanDerWaalsContact C-N 3.3Å; Q226-Q228 PolarHBondContact O-N 2.76Å
229	K	97.9	Very high	98.2	Very high	174 Å²	174	47.2 Å²	47.2	76%	0.757	24%	0.243	S	C	*	.	H	α-helix	trans	-82.2	-18.5	-179.5	-70.2	172.8	-176.6	177.4	0	113.3	S225 Q226	S225-K229 VanDerWaalsContact O-CG 3.31Å; S225-K229 WeakPolarHBondContact O-CG 3.33Å; S225-K229 PolarHBondContact O-N 2.74Å; S225-K229 VanDerWaalsContact O-N 3.13Å; Q226-K229 PolarHBondContact O-N 3.04Å
230	H	97.9	Very high	98.2	Very high	40 Å²	40	46.7 Å²	46.7	19%	0.185	24%	0.242	C	C	.	.	S	Bend	trans	-67.3	135.7	-178.9	-176.3	-78.5	0	0	0	110.7	Q226 M227 K232 A233 P234 W323 V343 D345	Q226-H230 WeakPolarHBondContact O-CB 3.2Å; Q226-H230 PolarHBondContact O-N 3.36Å; M227-H230 PolarHBondContact O-N 3.48Å; H230-K232 PolarHBondContact ND1-N 2.93Å; H230-K232 PolarHBondContact O-N 3.26Å; H230-K232 VanDerWaalsContact O-N 3.14Å; H230-A233 WeakPolarHBondContact O-CA 3.25Å; H230-A233 PolarHBondContact O-N 3.15Å; H230-P234 HydrophobicContact CB-CG 4.22Å; H230-W323 HydrophobicContact CB-CZ3 4.43Å; H230-W323 AromaticContact CD2-CH2 3.87Å; H230-W323 AromaticContact CD2-CZ2 3.72Å; H230-V343 VanDerWaalsContact CE1-CG1 3.46Å; H230-V343 WeakPolarHBondContact CE1-CG1 3.36Å; H230-D345 IonicContact CD2-OD2 3.78Å; H230-D345 IonicContact NE2-OD2 3.98Å
231	Q	96.9	Very high	98.1	Very high	200 Å²	200	47 Å²	47	94%	0.935	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.7	-170.7	-62.7	177	13.3	0	0	113.8	A233	Q231-A233 VanDerWaalsContact C-N 3.34Å
232	K	96.9	Very high	98.1	Very high	117 Å²	117	44.7 Å²	44.7	51%	0.509	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	3.1	175.9	-57.4	-178.5	179.6	170.3	0	114.2	H230 R321 V343	H230-K232 PolarHBondContact ND1-N 2.93Å; H230-K232 PolarHBondContact O-N 3.26Å; H230-K232 VanDerWaalsContact O-N 3.14Å; K232-R321 WeakPolarHBondContact O-CD 3.29Å; K232-R321 PolarHBondContact O-NE 3.3Å; K232-V343 HydrophobicContact CB-CG1 4.19Å; K232-V343 HydrophobicContact CB-CG2 3.9Å; K232-V343 HydrophobicContact CD-CG1 4.14Å; K232-V343 HydrophobicContact CD-CG2 4.25Å
233	A	96.4	Very high	98.1	Very high	44 Å²	44	43.8 Å²	43.8	36%	0.364	22%	0.216	S	C	.	.			trans	42.3	58.6	178.6	0	0	0	0	0	114.2	H230 Q231 R321	H230-A233 WeakPolarHBondContact O-CA 3.25Å; H230-A233 PolarHBondContact O-N 3.15Å; Q231-A233 VanDerWaalsContact C-N 3.34Å; A233-R321 VanDerWaalsContact O-CZ 3.25Å; A233-R321 PolarHBondContact O-NE 2.87Å; A233-R321 PolarHBondContact O-NH2 2.83Å
234	P	98.3	Very high	98.1	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.026	22%	0.215	C	C	.	.			trans	-57.5	143	178.5	26	-34.2	0	0	0	111.6	M227 H230 W323 V343	M227-P234 HydrophobicContact CB-CG 4.14Å; M227-P234 WeakPolarHBondContact CE-O 3.26Å; M227-P234 HydrophobicContact CG-CG 4.32Å; M227-P234 WeakPolarHBondContact O-CD 3.35Å; H230-P234 HydrophobicContact CB-CG 4.22Å; P234-W323 HydrophobicContact CB-CB 3.78Å; P234-W323 HydrophobicContact CG-CB 4.12Å; P234-W323 HydrophobicContact CG-CD2 4.18Å; P234-W323 HydrophobicContact CG-CE3 3.71Å; P234-W323 HydrophobicContact CG-CG 4.4Å; P234-W323 HydrophobicContact CG-CZ3 4.46Å; P234-V343 HydrophobicContact CB-CB 4.39Å; P234-V343 HydrophobicContact CB-CG1 4.45Å; P234-V343 HydrophobicContact CB-CG2 4.26Å
235	T	98.3	Very high	98	Very high	28 Å²	28	42.7 Å²	42.7	17%	0.172	21%	0.211	C	C	.	.	S	Bend	trans	-95.7	-14.7	178.4	63	0	0	0	0	112.4	M227 T269 V270 V320 R321	M227-T235 WeakPolarHBondContact CE-O 3.4Å; T235-T269 WeakPolarHBondContact O-CA 3.14Å; T235-V270 PolarHBondContact O-N 3.35Å; T235-V320 WeakPolarHBondContact OG1-CA 3.27Å; T235-R321 PolarHBondContact N-O 3.23Å; T235-R321 PolarHBondContact OG1-N 3.05Å; T235-R321 PolarHBondContact OG1-O 2.79Å
236	A	98.7	Very high	98	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157	172.3	0	0	0	0	0	112.1	L267 L268 T269 Y315 R321 W323	A236-L267 HydrophobicContact CB-CD1 3.81Å; A236-L267 HydrophobicContact CB-CG 4.42Å; A236-L268 CarbonylContact C-O 3.54Å; A236-L268 WeakPolarHBondContact CA-O 3.43Å; A236-T269 HydrophobicContact CB-CG2 4.13Å; A236-Y315 HydrophobicContact CB-CE1 3.79Å; A236-R321 PolarHBondContact N-O 2.99Å; A236-R321 VanDerWaalsContact N-O 3.09Å; A236-W323 WeakPolarHBondContact O-CB 3.38Å; A236-W323 PolarHBondContact O-N 2.82Å
237	V	98.8	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.2	164.1	177.5	0	0	0	0	107.2	V223 M227 L239 L268 W323 P349	V223-V237 HydrophobicContact CG1-CG2 4.1Å; M227-V237 HydrophobicContact CE-CG2 4.48Å; M227-V237 HydrophobicContact CG-CG2 3.6Å; M227-V237 HydrophobicContact SD-CG2 3.71Å; V237-L239 HydrophobicContact CG1-CD2 3.57Å; V237-L239 HydrophobicContact CG1-CG 4.3Å; V237-L268 PolarHBondContact N-O 3.32Å; V237-L268 PolarHBondContact O-N 3.2Å; V237-W323 WeakPolarHBondContact CA-O 3.31Å; V237-W323 HydrophobicContact CG2-CB 4.06Å; V237-W323 HydrophobicContact CG2-CD2 4.29Å; V237-W323 HydrophobicContact CG2-CE3 3.69Å; V237-W323 HydrophobicContact CG2-CG 4.49Å; V237-P349 HydrophobicContact CG1-CG 4.08Å; V237-P349 HydrophobicContact CG2-CG 3.96Å
238	L	98.8	Very high	98.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.4	173.7	174.8	60.1	0	0	0	109.1	T266 L267 I312 I322 W323 I324 I333 I337	L238-T266 WeakPolarHBondContact CA-O 3.48Å; L238-T266 WeakPolarHBondContact CD1-O 3.47Å; L238-L267 HydrophobicContact CB-CD1 4.12Å; L238-L267 HydrophobicContact CD1-CD1 4.37Å; L238-I312 HydrophobicContact CD1-CD1 3.81Å; L238-I312 HydrophobicContact CD1-CG1 4.29Å; L238-I312 HydrophobicContact CD2-CD1 4.13Å; L238-I312 HydrophobicContact CD2-CG1 4.17Å; L238-I312 HydrophobicContact CD2-CG2 4.22Å; L238-I322 HydrophobicContact CB-CG2 3.83Å; L238-I322 HydrophobicContact CD2-CG2 4.49Å; L238-W323 PolarHBondContact N-O 3.48Å; L238-I324 HydrophobicContact CB-CG2 4.05Å; L238-I324 HydrophobicContact CD2-CG2 4.4Å; L238-I333 HydrophobicContact CD2-CG2 3.38Å; L238-I333 HydrophobicContact CG-CG2 4.45Å; L238-I337 HydrophobicContact CD2-CD1 4.06Å
239	L	98.7	Very high	98.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.9	178.6	-51.1	177.9	0	0	0	108.9	V237 E244 L248 T266 S348 V350	V237-L239 HydrophobicContact CG1-CD2 3.57Å; V237-L239 HydrophobicContact CG1-CG 4.3Å; L239-E244 HydrophobicContact CB-CB 4.3Å; L239-E244 HydrophobicContact CD1-CB 4.22Å; L239-E244 HydrophobicContact CD2-CB 4.37Å; L239-L248 HydrophobicContact CD1-CD2 3.75Å; L239-T266 HydrophobicContact CD1-CG2 4.33Å; L239-T266 PolarHBondContact N-O 3.33Å; L239-T266 PolarHBondContact O-N 3.2Å; L239-T266 VanDerWaalsContact O-N 3.09Å; L239-S348 WeakPolarHBondContact CD2-OG 3.36Å; L239-V350 HydrophobicContact CD1-CB 4.43Å; L239-V350 HydrophobicContact CD1-CG2 3.9Å; L239-V350 HydrophobicContact CD2-CB 4.05Å; L239-V350 HydrophobicContact CD2-CG2 3.88Å
240	S	97.8	Very high	98.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	12%	0.115	C	C	.	.			trans	-114.9	-24	-179	51	0	0	0	0	112.8	H77 Y328 T329	H77-S240 PolarHBondContact ND1-O 3.22Å; S240-Y328 WeakPolarHBondContact OG-CD2 3.48Å; S240-Y328 WeakPolarHBondContact OG-CE2 3.23Å; S240-T329 PolarHBondContact OG-OG1 2.79Å
241	A	97.8	Very high	98.2	Very high	6 Å²	6	20.9 Å²	20.9	5%	0.05	11%	0.106	C	C	.	.	S	Bend	trans	-80.4	132.3	173.5	0	0	0	0	0	110.7	E243 E244 Y328 M351	A241-E243 VanDerWaalsContact C-N 3.31Å; A241-E243 HydrophobicContact CB-CG 4.3Å; A241-E243 PolarHBondContact O-N 3.42Å; A241-E244 HydrophobicContact CB-CG 3.99Å; A241-E244 WeakPolarHBondContact O-CB 3.41Å; A241-E244 PolarHBondContact O-N 3.33Å; A241-E244 VanDerWaalsContact O-N 3.12Å; A241-Y328 HydrophobicContact CB-CD2 3.62Å; A241-Y328 HydrophobicContact CB-CE2 3.59Å; A241-Y328 HydrophobicContact CB-CG 4.33Å; A241-M351 HydrophobicContact CB-CE 3.97Å
242	L	97.9	Very high	98.3	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-62.9	-37.7	-173.6	-60.6	-168.6	0	0	0	113	H77 N79 E244 T245 A246 I256 F261 F262 Y263 S264	H77-L242 HydrophobicContact CB-CD1 4.38Å; H77-L242 HydrophobicContact CB-CD2 4.05Å; H77-L242 HydrophobicContact CB-CG 3.79Å; H77-L242 VanDerWaalsContact CE1-CD2 3.42Å; H77-L242 WeakPolarHBondContact CE1-CD2 3.34Å; H77-L242 VanDerWaalsContact ND1-CD2 3.33Å; H77-L242 WeakPolarHBondContact ND1-CD2 3.39Å; N79-L242 VanDerWaalsContact ND2-CD1 3.27Å; N79-L242 WeakPolarHBondContact ND2-CD1 3.42Å; L242-E244 VanDerWaalsContact C-N 3.25Å; L242-E244 PolarHBondContact O-N 3.5Å; L242-T245 PolarHBondContact O-N 2.83Å; L242-A246 WeakPolarHBondContact O-CB 3.43Å; L242-A246 PolarHBondContact O-N 3.37Å; L242-I256 HydrophobicContact CD1-CG1 4.1Å; L242-F261 HydrophobicContact CB-CB 4.21Å; L242-F261 HydrophobicContact CB-CD2 3.29Å; L242-F261 HydrophobicContact CB-CE2 3.66Å; L242-F261 HydrophobicContact CB-CG 3.83Å; L242-F261 HydrophobicContact CB-CZ 4.48Å; L242-F261 HydrophobicContact CD1-CD2 3.59Å; L242-F261 HydrophobicContact CD1-CE2 3.76Å; L242-F261 HydrophobicContact CG-CD2 4.04Å; L242-F261 HydrophobicContact CG-CE2 4.21Å; L242-F262 WeakPolarHBondContact CD2-O 3.42Å; L242-Y263 HydrophobicContact CD1-CD1 4.13Å; L242-Y263 HydrophobicContact CD1-CE1 4.48Å; L242-S264 WeakPolarHBondContact CD2-O 3.29Å
243	E	97.4	Very high	98.3	Very high	11 Å²	11	6.3 Å²	6.3	5%	0.051	4%	0.04	C	C	.	.	H	α-helix	trans	-62.9	-29.3	177.3	54	168.3	-156.7	0	0	113.4	A241 W247 F261 M351 K354 L530 C531	A241-E243 VanDerWaalsContact C-N 3.31Å; A241-E243 HydrophobicContact CB-CG 4.3Å; A241-E243 PolarHBondContact O-N 3.42Å; E243-W247 WeakPolarHBondContact O-CB 3.33Å; E243-W247 PolarHBondContact O-N 2.92Å; E243-F261 HydrophobicContact CB-CD1 4.19Å; E243-F261 HydrophobicContact CB-CE1 4.21Å; E243-M351 VanDerWaalsContact OE1-CE 3.25Å; E243-M351 WeakPolarHBondContact OE1-CE 3.31Å; E243-K354 VanDerWaalsContact CD-CE 3.44Å; E243-K354 WeakPolarHBondContact OE1-CE 3.38Å; E243-K354 IonicContact OE1-NZ 2.78Å; E243-K354 PolarHBondContact OE1-NZ 3.11Å; E243-K354 IonicContact OE2-NZ 2.63Å; E243-K354 PolarHBondContact OE2-NZ 3.28Å; E243-K354 VanDerWaalsContact OE2-NZ 3.11Å; E243-L530 HydrophobicContact CB-CD2 4.25Å; E243-C531 PolarHBondContact OE2-SG 2.89Å
244	E	98.5	Very high	98.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-69.5	-46.7	178	-64.1	-169.5	104.4	0	0	110.8	L239 A241 L242 W247 L248 Y328 S348 V350 M351	L239-E244 HydrophobicContact CB-CB 4.3Å; L239-E244 HydrophobicContact CD1-CB 4.22Å; L239-E244 HydrophobicContact CD2-CB 4.37Å; A241-E244 HydrophobicContact CB-CG 3.99Å; A241-E244 WeakPolarHBondContact O-CB 3.41Å; A241-E244 PolarHBondContact O-N 3.33Å; A241-E244 VanDerWaalsContact O-N 3.12Å; L242-E244 VanDerWaalsContact C-N 3.25Å; L242-E244 PolarHBondContact O-N 3.5Å; E244-W247 PolarHBondContact O-N 3.33Å; E244-L248 VanDerWaalsContact O-CB 3.23Å; E244-L248 WeakPolarHBondContact O-CB 3.31Å; E244-L248 PolarHBondContact O-N 3.12Å; E244-Y328 PolarHBondContact OE1-OH 3.1Å; E244-Y328 VanDerWaalsContact OE2-CE2 3.27Å; E244-Y328 WeakPolarHBondContact OE2-CE2 3.28Å; E244-Y328 VanDerWaalsContact OE2-CZ 3.29Å; E244-Y328 PolarHBondContact OE2-OH 2.9Å; E244-S348 WeakPolarHBondContact OE1-CB 3.48Å; E244-S348 PolarHBondContact OE1-OG 3.3Å; E244-V350 HydrophobicContact CB-CB 4.21Å; E244-V350 HydrophobicContact CB-CG1 3.65Å; E244-V350 HydrophobicContact CG-CB 4.36Å; E244-V350 HydrophobicContact CG-CG1 4.03Å; E244-M351 HydrophobicContact CG-CE 3.85Å; E244-M351 VanDerWaalsContact OE1-CB 3.31Å; E244-M351 WeakPolarHBondContact OE1-CB 3.38Å; E244-M351 PolarHBondContact OE1-N 2.81Å
245	T	98.6	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.2	-44.4	176.1	-69.5	0	0	0	0	111.1	L242 W247 L248 F249 F262 S264 T266 L275	L242-T245 PolarHBondContact O-N 2.83Å; T245-W247 PolarHBondContact O-N 2.89Å; T245-L248 PolarHBondContact O-N 3.18Å; T245-F249 HydrophobicContact CG2-CD2 3.95Å; T245-F249 HydrophobicContact CG2-CE2 4.16Å; T245-F249 WeakPolarHBondContact O-CD2 3.45Å; T245-F249 PolarHBondContact O-N 3.36Å; T245-F262 HydrophobicContact CG2-CE2 4.17Å; T245-F262 HydrophobicContact CG2-CZ 4.14Å; T245-S264 VanDerWaalsContact CG2-OG 3.31Å; T245-S264 WeakPolarHBondContact CG2-OG 3.4Å; T245-T266 VanDerWaalsContact CG2-OG1 3.29Å; T245-T266 WeakPolarHBondContact CG2-OG1 3.46Å; T245-T266 PolarHBondContact OG1-OG1 3.33Å; T245-L275 HydrophobicContact CG2-CD1 3.53Å
246	A	98.5	Very high	97.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.6	-44.1	175.5	0	0	0	0	0	112.1	L242 N250 L251 R252 F261 F262 L530	L242-A246 WeakPolarHBondContact O-CB 3.43Å; L242-A246 PolarHBondContact O-N 3.37Å; A246-N250 CarbonylContact O-C 3.53Å; A246-N250 WeakPolarHBondContact O-CA 3.47Å; A246-N250 PolarHBondContact O-N 3.09Å; A246-N250 VanDerWaalsContact O-N 3.08Å; A246-L251 WeakPolarHBondContact CA-O 3.38Å; A246-L251 WeakPolarHBondContact CB-O 3.43Å; A246-L251 PolarHBondContact O-N 2.89Å; A246-R252 PolarHBondContact O-NH1 3.12Å; A246-F261 HydrophobicContact CB-CB 3.8Å; A246-F262 HydrophobicContact CB-CE1 4.44Å; A246-L530 HydrophobicContact CB-CD2 4.05Å
247	W	98.6	Very high	97.7	Very high	18 Å²	18	8.9 Å²	8.9	7%	0.068	6%	0.055	C	C	.	.	H	α-helix	trans	-69	-44.3	177.6	-178	90.8	0	0	0	112.5	K219 E243 E244 T245 F249 N250 V350 T353 K354 L530	K219-W247 HydrophobicContact CB-CH2 4.22Å; K219-W247 HydrophobicContact CB-CZ3 4.03Å; K219-W247 HydrophobicContact CD-CD2 4.13Å; K219-W247 HydrophobicContact CD-CE3 3.95Å; K219-W247 HydrophobicContact CD-CH2 3.82Å; K219-W247 HydrophobicContact CD-CZ2 3.99Å; K219-W247 HydrophobicContact CD-CZ3 3.8Å; K219-W247 WeakPolarHBondContact CD-O 3.09Å; K219-W247 HydrophobicContact CG-CH2 3.71Å; K219-W247 HydrophobicContact CG-CZ2 4.2Å; K219-W247 HydrophobicContact CG-CZ3 3.92Å; K219-W247 PolarHBondContact NZ-O 3.16Å; E243-W247 WeakPolarHBondContact O-CB 3.33Å; E243-W247 PolarHBondContact O-N 2.92Å; E244-W247 PolarHBondContact O-N 3.33Å; T245-W247 PolarHBondContact O-N 2.89Å; W247-F249 VanDerWaalsContact C-N 3.3Å; W247-F249 PolarHBondContact O-N 3.35Å; W247-N250 PolarHBondContact O-N 2.92Å; W247-V350 HydrophobicContact CE3-CG1 3.68Å; W247-V350 HydrophobicContact CZ3-CG1 4.09Å; W247-T353 HydrophobicContact CH2-CG2 3.65Å; W247-T353 HydrophobicContact CZ2-CG2 4.22Å; W247-K354 HydrophobicContact CB-CD 4.26Å; W247-K354 HydrophobicContact CD2-CB 3.69Å; W247-K354 HydrophobicContact CE3-CB 4.32Å; W247-K354 HydrophobicContact CG-CB 3.78Å; W247-K354 HydrophobicContact CG-CD 4.35Å; W247-K354 HydrophobicContact CZ2-CB 4.2Å; W247-L530 HydrophobicContact CB-CD1 4Å; W247-L530 HydrophobicContact CG-CD1 4.4Å
248	L	98.8	Very high	97.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.7	-43.2	-176.1	-179	65	0	0	0	111.1	W216 K219 V220 V223 L239 E244 T245 T266 L268 V350	W216-L248 WeakPolarHBondContact CA-O 3.36Å; W216-L248 VanDerWaalsContact CB-O 3.23Å; W216-L248 WeakPolarHBondContact CB-O 3.18Å; K219-L248 HydrophobicContact CB-CD1 3.92Å; V220-L248 HydrophobicContact CG2-CD1 3.87Å; V220-L248 HydrophobicContact CG2-CD2 4.34Å; V220-L248 HydrophobicContact CG2-CG 4.1Å; V223-L248 HydrophobicContact CG2-CD1 4.17Å; L239-L248 HydrophobicContact CD1-CD2 3.75Å; E244-L248 VanDerWaalsContact O-CB 3.23Å; E244-L248 WeakPolarHBondContact O-CB 3.31Å; E244-L248 PolarHBondContact O-N 3.12Å; T245-L248 PolarHBondContact O-N 3.18Å; L248-T266 HydrophobicContact CD2-CG2 4.34Å; L248-L268 HydrophobicContact CD2-CD2 4.41Å; L248-V350 HydrophobicContact CD1-CG2 4.39Å
249	F	98.8	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-96.8	1.3	-177.6	-60.7	-61.8	0	0	0	114.7	W216 V220 T245 W247 L251 T266 I273 L275 Y289 L290 V300	W216-F249 HydrophobicContact CD2-CD1 4.43Å; W216-F249 HydrophobicContact CE3-CD1 4.13Å; W216-F249 HydrophobicContact CE3-CE1 4.31Å; V220-F249 HydrophobicContact CG2-CE1 4.38Å; T245-F249 HydrophobicContact CG2-CD2 3.95Å; T245-F249 HydrophobicContact CG2-CE2 4.16Å; T245-F249 WeakPolarHBondContact O-CD2 3.45Å; T245-F249 PolarHBondContact O-N 3.36Å; W247-F249 VanDerWaalsContact C-N 3.3Å; W247-F249 PolarHBondContact O-N 3.35Å; F249-L251 HydrophobicContact CB-CB 4.43Å; F249-L251 HydrophobicContact CB-CD1 3.76Å; F249-L251 HydrophobicContact CB-CG 3.67Å; F249-L251 HydrophobicContact CG-CD1 4.5Å; F249-L251 PolarHBondContact O-N 2.85Å; F249-T266 HydrophobicContact CE2-CG2 3.74Å; F249-T266 HydrophobicContact CZ-CG2 3.8Å; F249-I273 HydrophobicContact CE1-CG2 3.93Å; F249-I273 HydrophobicContact CZ-CG2 3.55Å; F249-L275 HydrophobicContact CD2-CD2 4.39Å; F249-L275 HydrophobicContact CE2-CD1 4.48Å; F249-L275 HydrophobicContact CE2-CD2 4.47Å; F249-Y289 WeakPolarHBondContact O-CE1 3.46Å; F249-Y289 PolarHBondContact O-OH 3.29Å; F249-L290 HydrophobicContact CB-CD2 4.2Å; F249-L290 HydrophobicContact CD1-CD2 4.2Å; F249-L290 HydrophobicContact CG-CD2 4.37Å; F249-V300 HydrophobicContact CD1-CG2 4.29Å; F249-V300 HydrophobicContact CE1-CG2 3.83Å; F249-V300 HydrophobicContact CZ-CG1 4.46Å
250	N	98.6	Very high	97.3	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	36.4	-170.1	-62.7	-44.8	0	0	0	112.8	L207 T212 S214 W216 K219 A246 W247	L207-N250 PolarHBondContact N-O 3.36Å; T212-N250 HydrophobicContact CG2-CB 3.81Å; S214-N250 PolarHBondContact O-ND2 2.9Å; W216-N250 PolarHBondContact N-ND2 2.83Å; K219-N250 PolarHBondContact NZ-OD1 3.4Å; A246-N250 CarbonylContact O-C 3.53Å; A246-N250 WeakPolarHBondContact O-CA 3.47Å; A246-N250 PolarHBondContact O-N 3.09Å; A246-N250 VanDerWaalsContact O-N 3.08Å; W247-N250 PolarHBondContact O-N 2.92Å
251	L	98.7	Very high	97.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	151.4	178.4	-63.2	177.6	0	0	0	110.4	I204 Y205 A206 A246 F249 F262 L275 F282 T286 Y289 L290	I204-L251 HydrophobicContact CG2-CB 4.2Å; I204-L251 HydrophobicContact CG2-CD1 4.17Å; Y205-L251 CarbonylContact O-C 3.04Å; Y205-L251 VanDerWaalsContact O-CA 3.28Å; Y205-L251 WeakPolarHBondContact O-CA 3.4Å; A206-L251 HydrophobicContact CB-CD2 3.94Å; A246-L251 WeakPolarHBondContact CA-O 3.38Å; A246-L251 WeakPolarHBondContact CB-O 3.43Å; A246-L251 PolarHBondContact O-N 2.89Å; F249-L251 HydrophobicContact CB-CB 4.43Å; F249-L251 HydrophobicContact CB-CD1 3.76Å; F249-L251 HydrophobicContact CB-CG 3.67Å; F249-L251 HydrophobicContact CG-CD1 4.5Å; F249-L251 PolarHBondContact O-N 2.85Å; L251-F262 HydrophobicContact CB-CE1 3.52Å; L251-F262 HydrophobicContact CB-CZ 3.73Å; L251-F262 HydrophobicContact CD1-CE1 4.45Å; L251-F262 HydrophobicContact CD1-CZ 3.86Å; L251-F262 HydrophobicContact CG-CZ 4.48Å; L251-L275 HydrophobicContact CD1-CD2 4.25Å; L251-F282 HydrophobicContact CD1-CE1 4.17Å; L251-T286 HydrophobicContact CD2-CG2 3.83Å; L251-Y289 HydrophobicContact CD2-CD1 4.38Å; L251-Y289 HydrophobicContact CD2-CE1 4.31Å; L251-L290 HydrophobicContact CD1-CD1 4.02Å; L251-L290 HydrophobicContact CD1-CD2 4.2Å; L251-L290 HydrophobicContact CD2-CD2 4.49Å
252	R	98.3	Very high	97.2	Very high	8 Å²	8	12.6 Å²	12.6	3%	0.03	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	159.6	176.6	-64.3	-66.1	-177.7	-81.3	2.8	111.2	Y205 L207 A246 P260 N528 F529	Y205-R252 WeakPolarHBondContact CD1-O 3.39Å; Y205-R252 HydrophobicContact CE1-CB 4.01Å; Y205-R252 HydrophobicContact CE2-CB 3.9Å; Y205-R252 PolarHBondContact N-O 3.14Å; Y205-R252 VanDerWaalsContact N-O 3.09Å; Y205-R252 PolarHBondContact O-N 2.94Å; L207-R252 HydrophobicContact CD1-CG 3.63Å; L207-R252 VanDerWaalsContact CD1-CZ 3.44Å; L207-R252 HydrophobicContact CD2-CG 3.78Å; L207-R252 HydrophobicContact CG-CG 3.6Å; A246-R252 PolarHBondContact O-NH1 3.12Å; R252-P260 WeakPolarHBondContact CA-O 3.35Å; R252-P260 WeakPolarHBondContact CB-O 3.29Å; R252-P260 WeakPolarHBondContact CD-O 3.42Å; R252-N528 PolarHBondContact NH2-O 3.12Å; R252-F529 HydrophobicContact CB-CE1 4.32Å; R252-F529 HydrophobicContact CG-CD1 4Å; R252-F529 HydrophobicContact CG-CE1 3.75Å; R252-F529 PolarHBondContact NE-O 3.39Å; R252-F529 PolarHBondContact NH2-O 2.98Å
253	A	97.1	Very high	97.2	Very high	4 Å²	4	13.4 Å²	13.4	3%	0.033	7%	0.073	C	C	.	.			trans	-158.5	-159	170.4	0	0	0	0	0	108.6	I204 P260 F261 F262	I204-A253 HydrophobicContact CG1-CB 4.26Å; A253-P260 PolarHBondContact N-O 3.25Å; A253-P260 VanDerWaalsContact N-O 3.16Å; A253-P260 CarbonylContact O-C 3.49Å; A253-P260 WeakPolarHBondContact O-CA 3.23Å; A253-F261 PolarHBondContact O-N 3.35Å; A253-F262 HydrophobicContact CB-CB 3.64Å; A253-F262 HydrophobicContact CB-CD1 3.92Å; A253-F262 HydrophobicContact CB-CG 4.21Å
254	S	94.8	Very high	97.2	Very high	72 Å²	72	12.9 Å²	12.9	50%	0.503	7%	0.07	S	C	.	.			trans	-146	50.3	178.4	64.4	0	0	0	0	110.8
255	D	95.5	Very high	97.2	Very high	3 Å²	3	13 Å²	13	2%	0.016	7%	0.07	C	C	.	.	S	Bend	trans	-78	-31	-179	-69.5	0.6	0	0	0	112.3	P200 F261 F262 Y263 R281	P200-D255 HydrophobicContact CB-CB 4.36Å; P200-D255 HydrophobicContact CG-CB 4.47Å; D255-F261 PolarHBondContact N-O 3.23Å; D255-F262 WeakPolarHBondContact OD2-CA 3.33Å; D255-F262 WeakPolarHBondContact OD2-CB 3.47Å; D255-Y263 HydrophobicContact CB-CD2 3.79Å; D255-Y263 HydrophobicContact CB-CE2 3.83Å; D255-Y263 WeakPolarHBondContact OD2-CD2 3.38Å; D255-Y263 PolarHBondContact OD2-N 2.04Å; D255-R281 VanDerWaalsContact CG-NH1 3.28Å; D255-R281 IonicContact OD1-CZ 3.46Å; D255-R281 VanDerWaalsContact OD1-CZ 3.25Å; D255-R281 IonicContact OD1-NH1 3.57Å; D255-R281 PolarHBondContact OD1-NH1 3.5Å; D255-R281 VanDerWaalsContact OD1-NH1 3.1Å; D255-R281 IonicContact OD1-NH2 2.71Å; D255-R281 PolarHBondContact OD1-NH2 3.42Å; D255-R281 IonicContact OD2-CZ 3.02Å; D255-R281 IonicContact OD2-NH1 3.3Å; D255-R281 PolarHBondContact OD2-NH1 3.5Å; D255-R281 IonicContact OD2-NH2 3.25Å; D255-R281 PolarHBondContact OD2-NH2 2.86Å
256	I	95.4	Very high	97.2	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-105	131.9	177.6	-59	-50.3	0	0	0	108.4	Y81 L242 Y258 N259 F261 Y263	Y81-I256 WeakPolarHBondContact O-CG2 3.39Å; L242-I256 HydrophobicContact CD1-CG1 4.1Å; I256-Y258 PolarHBondContact O-N 3.12Å; I256-N259 HydrophobicContact CB-CB 3.95Å; I256-N259 HydrophobicContact CG2-CB 3.84Å; I256-N259 PolarHBondContact O-N 2.72Å; I256-N259 VanDerWaalsContact O-N 3.14Å; I256-F261 HydrophobicContact CB-CD2 4.31Å; I256-F261 HydrophobicContact CB-CE2 3.81Å; I256-F261 HydrophobicContact CB-CZ 4.48Å; I256-F261 HydrophobicContact CG1-CD2 3.96Å; I256-F261 HydrophobicContact CG1-CE2 3.51Å; I256-F261 HydrophobicContact CG2-CE2 4.3Å; I256-Y263 HydrophobicContact CD1-CE1 3.97Å; I256-Y263 HydrophobicContact CD1-CE2 4.23Å; I256-Y263 WeakPolarHBondContact CD1-OH 3.46Å
257	P	93.7	Very high	97.3	Very high	52 Å²	52	13 Å²	13	34%	0.338	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	134.7	174.1	-28.1	35.8	0	0	0	111.3	N259	P257-N259 PolarHBondContact O-N 2.9Å; P257-N259 PolarHBondContact O-ND2 3.3Å
258	Y	95.9	Very high	97.3	Very high	72 Å²	72	12.1 Å²	12.1	28%	0.282	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-5.6	178	-38	-66.7	0	0	0	116.9	Y81 I256 P414 S415 F416 E417 Q454	Y81-Y258 AromaticContact CD1-CD2 3.91Å; Y81-Y258 HydrophobicContact CD1-CD2 3.91Å; Y81-Y258 HydrophobicContact CD1-CE2 4.2Å; Y81-Y258 HydrophobicContact CE1-CD2 4.12Å; Y81-Y258 HydrophobicContact CE1-CE2 4.37Å; Y81-Y258 HydrophobicContact CG-CD2 4.25Å; I256-Y258 PolarHBondContact O-N 3.12Å; Y258-P414 HydrophobicContact CD1-CB 4.44Å; Y258-P414 HydrophobicContact CD1-CG 3.95Å; Y258-P414 HydrophobicContact CE1-CG 4.02Å; Y258-S415 VanDerWaalsContact CB-C 3.42Å; Y258-S415 VanDerWaalsContact CB-O 3.26Å; Y258-S415 WeakPolarHBondContact CB-O 3.49Å; Y258-F416 VanDerWaalsContact CG-CA 3.47Å; Y258-E417 HydrophobicContact CE2-CB 4.24Å; Y258-E417 WeakPolarHBondContact OH-CB 3.5Å; Y258-Q454 WeakPolarHBondContact O-CG 3.4Å; Y258-Q454 PolarHBondContact O-NE2 3.46Å
259	N	96.7	Very high	97.3	Very high	8 Å²	8	12.4 Å²	12.4	4%	0.043	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-122.1	113.4	-168.1	-76.2	-71.4	0	0	0	110.1	Y81 I256 P257 F261 C531	Y81-N259 WeakPolarHBondContact CD2-ND2 3.44Å; I256-N259 HydrophobicContact CB-CB 3.95Å; I256-N259 HydrophobicContact CG2-CB 3.84Å; I256-N259 PolarHBondContact O-N 2.72Å; I256-N259 VanDerWaalsContact O-N 3.14Å; P257-N259 PolarHBondContact O-N 2.9Å; P257-N259 PolarHBondContact O-ND2 3.3Å; N259-F261 HydrophobicContact CB-CD1 4.15Å; N259-F261 HydrophobicContact CB-CE1 3.52Å; N259-F261 HydrophobicContact CB-CE2 4.03Å; N259-F261 HydrophobicContact CB-CZ 3.47Å; N259-F261 VanDerWaalsContact CB-CZ 3.47Å; N259-F261 PolarHBondContact O-N 3.18Å; N259-C531 WeakPolarHBondContact OD1-CA 3.21Å
260	P	96.6	Very high	97.1	Very high	7 Å²	7	16.2 Å²	16.2	5%	0.045	9%	0.092	C	C	.	.			trans	-82.1	46.9	-164.2	34.3	-39.3	0	0	0	114	R252 A253 F529	R252-P260 WeakPolarHBondContact CA-O 3.35Å; R252-P260 WeakPolarHBondContact CB-O 3.29Å; R252-P260 WeakPolarHBondContact CD-O 3.42Å; A253-P260 PolarHBondContact N-O 3.25Å; A253-P260 VanDerWaalsContact N-O 3.16Å; A253-P260 CarbonylContact O-C 3.49Å; A253-P260 WeakPolarHBondContact O-CA 3.23Å; P260-F529 HydrophobicContact CB-CD2 3.97Å; P260-F529 HydrophobicContact CB-CE1 4.46Å; P260-F529 HydrophobicContact CB-CE2 3.47Å; P260-F529 VanDerWaalsContact CB-CE2 3.47Å; P260-F529 HydrophobicContact CB-CZ 3.75Å; P260-F529 HydrophobicContact CG-CD2 3.59Å; P260-F529 HydrophobicContact CG-CE2 3.65Å; P260-F529 HydrophobicContact CG-CG 4.16Å; P260-F529 HydrophobicContact CG-CZ 4.29Å; P260-F529 VanDerWaalsContact CG-O 3.25Å; P260-F529 WeakPolarHBondContact CG-O 3.4Å
261	F	94.8	Very high	97	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	12%	0.115	C	C	.	.			trans	-127.1	179.4	178.5	47	-109.6	0	0	0	112.9	N79 L242 E243 A246 A253 D255 I256 N259 C531	N79-F261 WeakPolarHBondContact OD1-CE2 3.38Å; L242-F261 HydrophobicContact CB-CB 4.21Å; L242-F261 HydrophobicContact CB-CD2 3.29Å; L242-F261 HydrophobicContact CB-CE2 3.66Å; L242-F261 HydrophobicContact CB-CG 3.83Å; L242-F261 HydrophobicContact CB-CZ 4.48Å; L242-F261 HydrophobicContact CD1-CD2 3.59Å; L242-F261 HydrophobicContact CD1-CE2 3.76Å; L242-F261 HydrophobicContact CG-CD2 4.04Å; L242-F261 HydrophobicContact CG-CE2 4.21Å; E243-F261 HydrophobicContact CB-CD1 4.19Å; E243-F261 HydrophobicContact CB-CE1 4.21Å; A246-F261 HydrophobicContact CB-CB 3.8Å; A253-F261 PolarHBondContact O-N 3.35Å; D255-F261 PolarHBondContact N-O 3.23Å; I256-F261 HydrophobicContact CB-CD2 4.31Å; I256-F261 HydrophobicContact CB-CE2 3.81Å; I256-F261 HydrophobicContact CB-CZ 4.48Å; I256-F261 HydrophobicContact CG1-CD2 3.96Å; I256-F261 HydrophobicContact CG1-CE2 3.51Å; I256-F261 HydrophobicContact CG2-CE2 4.3Å; N259-F261 HydrophobicContact CB-CD1 4.15Å; N259-F261 HydrophobicContact CB-CE1 3.52Å; N259-F261 HydrophobicContact CB-CE2 4.03Å; N259-F261 HydrophobicContact CB-CZ 3.47Å; N259-F261 VanDerWaalsContact CB-CZ 3.47Å; N259-F261 PolarHBondContact O-N 3.18Å; F261-C531 WeakPolarHBondContact CE1-SG 3.19Å
262	F	97.6	Very high	96.9	Very high	1 Å²	1	21 Å²	21	0%	0.004	13%	0.126	C	C	.	.			trans	-133.8	149.2	-171.7	49.1	-80.1	0	0	0	111.7	I204 L242 T245 A246 L251 A253 D255 S264 L275	I204-F262 HydrophobicContact CD1-CB 4.07Å; I204-F262 HydrophobicContact CD1-CD2 3.61Å; I204-F262 HydrophobicContact CD1-CE2 4.19Å; I204-F262 HydrophobicContact CD1-CG 3.8Å; I204-F262 HydrophobicContact CG1-CB 4.04Å; I204-F262 HydrophobicContact CG1-CD1 4.22Å; I204-F262 HydrophobicContact CG1-CD2 4.18Å; I204-F262 HydrophobicContact CG1-CG 3.87Å; I204-F262 HydrophobicContact CG2-CD1 3.91Å; I204-F262 HydrophobicContact CG2-CD2 4.42Å; I204-F262 HydrophobicContact CG2-CE1 3.78Å; I204-F262 HydrophobicContact CG2-CE2 4.27Å; I204-F262 HydrophobicContact CG2-CG 4.25Å; I204-F262 HydrophobicContact CG2-CZ 3.96Å; L242-F262 WeakPolarHBondContact CD2-O 3.42Å; T245-F262 HydrophobicContact CG2-CE2 4.17Å; T245-F262 HydrophobicContact CG2-CZ 4.14Å; A246-F262 HydrophobicContact CB-CE1 4.44Å; L251-F262 HydrophobicContact CB-CE1 3.52Å; L251-F262 HydrophobicContact CB-CZ 3.73Å; L251-F262 HydrophobicContact CD1-CE1 4.45Å; L251-F262 HydrophobicContact CD1-CZ 3.86Å; L251-F262 HydrophobicContact CG-CZ 4.48Å; A253-F262 HydrophobicContact CB-CB 3.64Å; A253-F262 HydrophobicContact CB-CD1 3.92Å; A253-F262 HydrophobicContact CB-CG 4.21Å; D255-F262 WeakPolarHBondContact OD2-CA 3.33Å; D255-F262 WeakPolarHBondContact OD2-CB 3.47Å; F262-S264 WeakPolarHBondContact CE2-OG 3.49Å; F262-S264 PolarHBondContact O-N 3.17Å; F262-S264 VanDerWaalsContact O-N 3.1Å; F262-S264 PolarHBondContact O-OG 3.07Å; F262-L275 HydrophobicContact CE2-CD1 4.45Å
263	Y	97.8	Very high	97	Very high	19 Å²	19	20.7 Å²	20.7	8%	0.075	13%	0.125	C	C	.	.	S	Bend	trans	-55.5	115.8	175.2	-70.4	-71.2	0	0	0	110.9	H77 D86 V199 L242 D255 I256	H77-Y263 AromaticContact CD2-CD1 3.67Å; H77-Y263 AromaticContact NE2-CD1 3.78Å; D86-Y263 PolarHBondContact OD2-OH 2.91Å; V199-Y263 HydrophobicContact CG1-CD2 3.69Å; V199-Y263 HydrophobicContact CG1-CE2 3.87Å; L242-Y263 HydrophobicContact CD1-CD1 4.13Å; L242-Y263 HydrophobicContact CD1-CE1 4.48Å; D255-Y263 HydrophobicContact CB-CD2 3.79Å; D255-Y263 HydrophobicContact CB-CE2 3.83Å; D255-Y263 WeakPolarHBondContact OD2-CD2 3.38Å; D255-Y263 PolarHBondContact OD2-N 2.04Å; I256-Y263 HydrophobicContact CD1-CE1 3.97Å; I256-Y263 HydrophobicContact CD1-CE2 4.23Å; I256-Y263 WeakPolarHBondContact CD1-OH 3.46Å
264	S	98.3	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.			trans	-163.3	156.9	-176.6	55.6	0	0	0	0	114.2	H77 L242 T245 F262 F276	H77-S264 PolarHBondContact CE1-O 2.95Å; L242-S264 WeakPolarHBondContact CD2-O 3.29Å; T245-S264 VanDerWaalsContact CG2-OG 3.31Å; T245-S264 WeakPolarHBondContact CG2-OG 3.4Å; F262-S264 WeakPolarHBondContact CE2-OG 3.49Å; F262-S264 PolarHBondContact O-N 3.17Å; F262-S264 VanDerWaalsContact O-N 3.1Å; F262-S264 PolarHBondContact O-OG 3.07Å; S264-F276 WeakPolarHBondContact CA-O 3.49Å; S264-F276 WeakPolarHBondContact CB-O 3.43Å
265	Y	98.9	Very high	97.2	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	158.1	162	-68.4	-92.8	0	0	0	109.5	A76 H77 L275 F276 Y305 V308 I333	A76-Y265 PolarHBondContact O-OH 3.35Å; H77-Y265 AromaticContact CE1-CD2 3.73Å; H77-Y265 AromaticContact CE1-CE1 3.91Å; H77-Y265 AromaticContact CE1-CE2 3.26Å; H77-Y265 WeakPolarHBondContact CE1-CE2 3.49Å; H77-Y265 AromaticContact CE1-CZ 3.36Å; H77-Y265 AromaticContact ND1-CZ 3.77Å; H77-Y265 AromaticContact NE2-CE2 3.94Å; Y265-L275 WeakPolarHBondContact O-CD1 3.37Å; Y265-F276 PolarHBondContact N-O 3.01Å; Y265-F276 VanDerWaalsContact N-O 3.12Å; Y265-F276 PolarHBondContact O-N 2.8Å; Y265-Y305 HydrophobicContact CD2-CD2 4.2Å; Y265-Y305 AromaticContact CD2-CE2 3.62Å; Y265-Y305 HydrophobicContact CD2-CE2 3.62Å; Y265-Y305 HydrophobicContact CE2-CD2 4.46Å; Y265-Y305 AromaticContact CE2-CE2 3.53Å; Y265-Y305 HydrophobicContact CE2-CE2 3.53Å; Y265-Y305 AromaticContact CE2-CZ 3.69Å; Y265-Y305 WeakPolarHBondContact CE2-OH 3.34Å; Y265-V308 HydrophobicContact CD1-CG2 4.22Å; Y265-V308 HydrophobicContact CD2-CB 4.01Å; Y265-V308 HydrophobicContact CD2-CG1 3.8Å; Y265-V308 HydrophobicContact CD2-CG2 3.78Å; Y265-V308 HydrophobicContact CE2-CG1 3.9Å; Y265-V308 HydrophobicContact CE2-CG2 4.47Å; Y265-V308 HydrophobicContact CG-CB 4.36Å; Y265-V308 HydrophobicContact CG-CG1 4.49Å; Y265-V308 HydrophobicContact CG-CG2 3.64Å; Y265-I333 HydrophobicContact CE1-CD1 4.38Å; Y265-I333 HydrophobicContact CE1-CG1 3.86Å
266	T	98.9	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.5	173.6	-60.4	0	0	0	0	111.3	L238 L239 T245 L248 F249 I273 R274	L238-T266 WeakPolarHBondContact CA-O 3.48Å; L238-T266 WeakPolarHBondContact CD1-O 3.47Å; L239-T266 HydrophobicContact CD1-CG2 4.33Å; L239-T266 PolarHBondContact N-O 3.33Å; L239-T266 PolarHBondContact O-N 3.2Å; L239-T266 VanDerWaalsContact O-N 3.09Å; T245-T266 VanDerWaalsContact CG2-OG1 3.29Å; T245-T266 WeakPolarHBondContact CG2-OG1 3.46Å; T245-T266 PolarHBondContact OG1-OG1 3.33Å; L248-T266 HydrophobicContact CD2-CG2 4.34Å; F249-T266 HydrophobicContact CE2-CG2 3.74Å; F249-T266 HydrophobicContact CZ-CG2 3.8Å; T266-I273 HydrophobicContact CG2-CG2 4.46Å; T266-R274 CarbonylContact C-O 3.26Å; T266-R274 WeakPolarHBondContact CA-O 3.19Å
267	L	98.8	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	103.8	165.2	-174	73.7	0	0	0	109.1	A236 L238 T269 R274 F276 I312 Y315	A236-L267 HydrophobicContact CB-CD1 3.81Å; A236-L267 HydrophobicContact CB-CG 4.42Å; L238-L267 HydrophobicContact CB-CD1 4.12Å; L238-L267 HydrophobicContact CD1-CD1 4.37Å; L267-T269 HydrophobicContact CD2-CG2 4.27Å; L267-T269 HydrophobicContact CG-CG2 4.24Å; L267-R274 HydrophobicContact CB-CB 4.44Å; L267-R274 PolarHBondContact N-O 3.36Å; L267-R274 PolarHBondContact O-N 2.78Å; L267-F276 HydrophobicContact CB-CE2 4.25Å; L267-I312 HydrophobicContact CB-CD1 4.08Å; L267-I312 HydrophobicContact CD1-CD1 3.88Å; L267-I312 HydrophobicContact CD2-CD1 3.95Å; L267-I312 HydrophobicContact CG-CD1 4.19Å; L267-Y315 HydrophobicContact CD1-CD1 4.43Å; L267-Y315 HydrophobicContact CD1-CE1 4.35Å; L267-Y315 HydrophobicContact CD2-CD1 3.77Å; L267-Y315 HydrophobicContact CD2-CD2 4.11Å; L267-Y315 HydrophobicContact CD2-CE1 4.03Å; L267-Y315 HydrophobicContact CD2-CE2 4.36Å; L267-Y315 HydrophobicContact CD2-CG 3.82Å
268	L	98.8	Very high	97.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.9	174.6	172.4	59	0	0	0	109.3	V220 V223 A236 V237 L248 I273	V220-L268 HydrophobicContact CG1-CD1 3.88Å; V220-L268 HydrophobicContact CG1-CD2 4.45Å; V223-L268 HydrophobicContact CB-CD2 3.86Å; V223-L268 HydrophobicContact CG1-CD2 3.62Å; A236-L268 CarbonylContact C-O 3.54Å; A236-L268 WeakPolarHBondContact CA-O 3.43Å; V237-L268 PolarHBondContact N-O 3.32Å; V237-L268 PolarHBondContact O-N 3.2Å; L248-L268 HydrophobicContact CD2-CD2 4.41Å; L268-I273 HydrophobicContact CD1-CD1 4.24Å; L268-I273 HydrophobicContact CD1-CG1 3.77Å
269	T	98.5	Very high	97.6	Very high	5 Å²	5	21 Å²	21	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	174.6	174.2	83	0	0	0	0	111	R224 T235 A236 L267 S271 S272 Y315	R224-T269 PolarHBondContact NE-O 3.11Å; R224-T269 PolarHBondContact NH2-O 3.47Å; R224-T269 VanDerWaalsContact NH2-O 3.13Å; T235-T269 WeakPolarHBondContact O-CA 3.14Å; A236-T269 HydrophobicContact CB-CG2 4.13Å; L267-T269 HydrophobicContact CD2-CG2 4.27Å; L267-T269 HydrophobicContact CG-CG2 4.24Å; T269-S271 PolarHBondContact O-N 3.08Å; T269-S271 PolarHBondContact OG1-N 3.13Å; T269-S271 VanDerWaalsContact OG1-N 3.16Å; T269-S272 PolarHBondContact N-O 3.22Å; T269-S272 PolarHBondContact OG1-N 3.32Å; T269-S272 PolarHBondContact OG1-O 3.22Å; T269-S272 PolarHBondContact OG1-OG 2.88Å; T269-Y315 HydrophobicContact CG2-CE2 4.08Å
270	V	96.4	Very high	97.5	Very high	80 Å²	80	25 Å²	25	49%	0.485	14%	0.143	S	C	.	.	S	Bend	trans	-59.1	-23.4	172.4	-64.3	0	0	0	0	113.7	R224 M227 T235	R224-V270 PolarHBondContact NE-O 3.43Å; M227-V270 HydrophobicContact CE-CG1 3.95Å; T235-V270 PolarHBondContact O-N 3.35Å
271	S	95.4	Very high	97.6	Very high	72 Å²	72	25.4 Å²	25.4	50%	0.503	14%	0.144	S	C	.	.	S	Bend	trans	-136.4	-4.1	-171	60.5	0	0	0	0	115.6	T269 G296 P297	T269-S271 PolarHBondContact O-N 3.08Å; T269-S271 PolarHBondContact OG1-N 3.13Å; T269-S271 VanDerWaalsContact OG1-N 3.16Å; S271-G296 CarbonylContact O-C 3.34Å; S271-P297 VanDerWaalsContact O-CA 3.3Å; S271-P297 WeakPolarHBondContact O-CA 3.31Å
272	S	97.4	Very high	97.7	Very high	33 Å²	33	26 Å²	26	23%	0.231	15%	0.146	C	C	.	.			trans	-147	163.3	179.5	65.5	0	0	0	0	111.4	R224 T269	R224-S272 PolarHBondContact NH2-O 2.91Å; T269-S272 PolarHBondContact N-O 3.22Å; T269-S272 PolarHBondContact OG1-N 3.32Å; T269-S272 PolarHBondContact OG1-O 3.22Å; T269-S272 PolarHBondContact OG1-OG 2.88Å
273	I	98.8	Very high	97.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.2	177.7	-48.6	179.3	0	0	0	107.5	W216 V220 F249 T266 L268 P297 V300 Q301	W216-I273 HydrophobicContact CZ3-CD1 3.9Å; V220-I273 HydrophobicContact CG1-CD1 4.02Å; V220-I273 HydrophobicContact CG2-CD1 4.19Å; F249-I273 HydrophobicContact CE1-CG2 3.93Å; F249-I273 HydrophobicContact CZ-CG2 3.55Å; T266-I273 HydrophobicContact CG2-CG2 4.46Å; L268-I273 HydrophobicContact CD1-CD1 4.24Å; L268-I273 HydrophobicContact CD1-CG1 3.77Å; I273-P297 WeakPolarHBondContact CD1-O 3.48Å; I273-V300 HydrophobicContact CB-CG2 4.45Å; I273-V300 HydrophobicContact CD1-CG2 4.29Å; I273-V300 HydrophobicContact CG2-CG1 4.12Å; I273-V300 HydrophobicContact CG2-CG2 4.18Å; I273-Q301 WeakPolarHBondContact O-CB 3.08Å; I273-Q301 PolarHBondContact O-N 2.69Å
274	R	98.7	Very high	97.7	Very high	31 Å²	31	31.4 Å²	31.4	12%	0.117	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.7	171.6	-63.8	-170.3	-77.6	169.7	1.9	109.8	T266 L267 F276 Q301 E303 S311	T266-R274 CarbonylContact C-O 3.26Å; T266-R274 WeakPolarHBondContact CA-O 3.19Å; L267-R274 HydrophobicContact CB-CB 4.44Å; L267-R274 PolarHBondContact N-O 3.36Å; L267-R274 PolarHBondContact O-N 2.78Å; R274-F276 HydrophobicContact CB-CE2 4.04Å; R274-F276 HydrophobicContact CB-CZ 4.18Å; R274-Q301 WeakPolarHBondContact CA-O 3.37Å; R274-Q301 HydrophobicContact CG-CB 4.33Å; R274-E303 WeakPolarHBondContact CD-OE1 3.35Å; R274-E303 IonicContact NH1-OE1 2.67Å; R274-E303 IonicContact NH1-OE2 3.06Å; R274-S311 PolarHBondContact NH1-OG 2.67Å; R274-S311 PolarHBondContact NH2-O 3.42Å; R274-S311 VanDerWaalsContact NH2-O 3.14Å
275	L	98.8	Very high	97.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116	174.3	170.5	56	0	0	0	108	T245 F249 L251 F262 Y265 A277 F282 L290 V300 Q301 I302 E303	T245-L275 HydrophobicContact CG2-CD1 3.53Å; F249-L275 HydrophobicContact CD2-CD2 4.39Å; F249-L275 HydrophobicContact CE2-CD1 4.48Å; F249-L275 HydrophobicContact CE2-CD2 4.47Å; L251-L275 HydrophobicContact CD1-CD2 4.25Å; F262-L275 HydrophobicContact CE2-CD1 4.45Å; Y265-L275 WeakPolarHBondContact O-CD1 3.37Å; L275-A277 HydrophobicContact CD1-CB 4.47Å; L275-A277 HydrophobicContact CG-CB 4.36Å; L275-F282 HydrophobicContact CD2-CE1 4.21Å; L275-F282 HydrophobicContact CD2-CZ 4.02Å; L275-L290 HydrophobicContact CD2-CD1 4.48Å; L275-V300 HydrophobicContact CB-CG1 3.63Å; L275-V300 HydrophobicContact CD2-CG1 4.3Å; L275-Q301 PolarHBondContact N-O 3.39Å; L275-I302 HydrophobicContact CB-CD1 3.98Å; L275-I302 HydrophobicContact CD2-CD1 3.79Å; L275-I302 HydrophobicContact CG-CD1 4.1Å; L275-I302 WeakPolarHBondContact O-CA 3.2Å; L275-E303 PolarHBondContact O-N 2.9Å
276	F	98.8	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	109.6	177.3	-58.7	-89.2	0	0	0	108.3	S264 Y265 L267 R274 E303 V308 S311	S264-F276 WeakPolarHBondContact CA-O 3.49Å; S264-F276 WeakPolarHBondContact CB-O 3.43Å; Y265-F276 PolarHBondContact N-O 3.01Å; Y265-F276 VanDerWaalsContact N-O 3.12Å; Y265-F276 PolarHBondContact O-N 2.8Å; L267-F276 HydrophobicContact CB-CE2 4.25Å; R274-F276 HydrophobicContact CB-CE2 4.04Å; R274-F276 HydrophobicContact CB-CZ 4.18Å; F276-E303 CarbonylContact C-O 3.56Å; F276-E303 VanDerWaalsContact CA-O 3.31Å; F276-E303 WeakPolarHBondContact CA-O 3.32Å; F276-E303 HydrophobicContact CD1-CB 3.71Å; F276-E303 HydrophobicContact CE1-CB 3.86Å; F276-E303 HydrophobicContact CE1-CG 4.45Å; F276-E303 WeakPolarHBondContact CE1-OE2 3.49Å; F276-V308 HydrophobicContact CB-CB 4.19Å; F276-V308 HydrophobicContact CD1-CB 3.89Å; F276-V308 HydrophobicContact CD1-CG2 4.4Å; F276-V308 HydrophobicContact CD2-CB 4.29Å; F276-V308 HydrophobicContact CD2-CG2 3.96Å; F276-V308 HydrophobicContact CE1-CB 4.34Å; F276-V308 HydrophobicContact CE2-CG2 4.24Å; F276-V308 HydrophobicContact CG-CB 3.86Å; F276-V308 HydrophobicContact CG-CG2 4.05Å; F276-S311 VanDerWaalsContact CE1-CB 3.46Å
277	A	98.1	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-160.1	166.9	-178.5	0	0	0	0	0	109.8	I204 L275 K279 F282 E303	I204-A277 HydrophobicContact CD1-CB 4.46Å; L275-A277 HydrophobicContact CD1-CB 4.47Å; L275-A277 HydrophobicContact CG-CB 4.36Å; A277-K279 PolarHBondContact O-N 3.04Å; A277-F282 HydrophobicContact CB-CE2 3.76Å; A277-F282 HydrophobicContact CB-CZ 3.86Å; A277-E303 PolarHBondContact N-O 2.98Å
278	N	96.6	Very high	97.6	Very high	63 Å²	63	43.5 Å²	43.5	34%	0.337	26%	0.255	S	S	.	.			trans	-70.8	105.6	174	176.2	-6.9	0	0	0	110.5	S280 R281 F282	N278-S280 PolarHBondContact ND2-OG 3.02Å; N278-S280 PolarHBondContact O-N 3.32Å; N278-S280 WeakPolarHBondContact OD1-CB 3.33Å; N278-S280 PolarHBondContact OD1-N 2.93Å; N278-S280 PolarHBondContact OD1-OG 2.62Å; N278-R281 HydrophobicContact CB-CG 4.19Å; N278-R281 WeakPolarHBondContact O-CB 3.4Å; N278-R281 PolarHBondContact O-N 2.77Å; N278-R281 VanDerWaalsContact O-N 3.11Å; N278-F282 WeakPolarHBondContact O-CD2 3.25Å
279	K	94.6	Very high	97.5	Very high	117 Å²	117	46.8 Å²	46.8	51%	0.509	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-58.2	-30.6	-175.5	-173.2	174	180	175.8	0	114	A277 R281 F282 I302	A277-K279 PolarHBondContact O-N 3.04Å; K279-R281 PolarHBondContact O-N 3.49Å; K279-R281 VanDerWaalsContact O-N 3.16Å; K279-F282 PolarHBondContact O-N 2.79Å; K279-I302 HydrophobicContact CB-CG2 3.96Å; K279-I302 HydrophobicContact CG-CB 4.48Å; K279-I302 HydrophobicContact CG-CG2 4.07Å
280	S	96.1	Very high	97.5	Very high	94 Å²	94	46.6 Å²	46.6	66%	0.657	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-65.7	-15.2	-179.9	69.5	0	0	0	0	113.9	N278	N278-S280 PolarHBondContact ND2-OG 3.02Å; N278-S280 PolarHBondContact O-N 3.32Å; N278-S280 WeakPolarHBondContact OD1-CB 3.33Å; N278-S280 PolarHBondContact OD1-N 2.93Å; N278-S280 PolarHBondContact OD1-OG 2.62Å
281	R	97.3	Very high	97.6	Very high	15 Å²	15	45.9 Å²	45.9	6%	0.057	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-88	-5.2	-178.6	-61.9	175.7	61.2	-168.2	-13.9	113.6	P200 N201 Q202 I204 D255 N278 K279	P200-R281 PolarHBondContact O-NH1 2.62Å; P200-R281 VanDerWaalsContact O-NH1 3.12Å; N201-R281 WeakPolarHBondContact OD1-CD 3.38Å; N201-R281 WeakPolarHBondContact OD1-CG 3.48Å; Q202-R281 PolarHBondContact O-NE 3.09Å; Q202-R281 PolarHBondContact O-NH2 2.98Å; I204-R281 HydrophobicContact CD1-CB 4.06Å; I204-R281 HydrophobicContact CG1-CB 4.15Å; I204-R281 PolarHBondContact N-O 2.97Å; D255-R281 VanDerWaalsContact CG-NH1 3.28Å; D255-R281 IonicContact OD1-CZ 3.46Å; D255-R281 VanDerWaalsContact OD1-CZ 3.25Å; D255-R281 IonicContact OD1-NH1 3.57Å; D255-R281 PolarHBondContact OD1-NH1 3.5Å; D255-R281 VanDerWaalsContact OD1-NH1 3.1Å; D255-R281 IonicContact OD1-NH2 2.71Å; D255-R281 PolarHBondContact OD1-NH2 3.42Å; D255-R281 IonicContact OD2-CZ 3.02Å; D255-R281 IonicContact OD2-NH1 3.3Å; D255-R281 PolarHBondContact OD2-NH1 3.5Å; D255-R281 IonicContact OD2-NH2 3.25Å; D255-R281 PolarHBondContact OD2-NH2 2.86Å; N278-R281 HydrophobicContact CB-CG 4.19Å; N278-R281 WeakPolarHBondContact O-CB 3.4Å; N278-R281 PolarHBondContact O-N 2.77Å; N278-R281 VanDerWaalsContact O-N 3.11Å; K279-R281 PolarHBondContact O-N 3.49Å; K279-R281 VanDerWaalsContact O-N 3.16Å
282	F	97.9	Very high	97.6	Very high	14 Å²	14	44.2 Å²	44.2	6%	0.061	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-95.9	125.3	179.2	-65.1	-99.3	0	0	0	110.3	I204 L251 L275 A277 N278 K279 T286 L287 L290 I302	I204-F282 HydrophobicContact CB-CD1 4.37Å; I204-F282 HydrophobicContact CB-CE1 4.18Å; I204-F282 HydrophobicContact CB-CZ 4.34Å; I204-F282 HydrophobicContact CD1-CD2 4.31Å; I204-F282 HydrophobicContact CD1-CE1 4.33Å; I204-F282 HydrophobicContact CD1-CE2 3.62Å; I204-F282 HydrophobicContact CD1-CZ 3.63Å; I204-F282 HydrophobicContact CG2-CD1 4.27Å; I204-F282 HydrophobicContact CG2-CE1 3.75Å; I204-F282 HydrophobicContact CG2-CZ 4.1Å; L251-F282 HydrophobicContact CD1-CE1 4.17Å; L275-F282 HydrophobicContact CD2-CE1 4.21Å; L275-F282 HydrophobicContact CD2-CZ 4.02Å; A277-F282 HydrophobicContact CB-CE2 3.76Å; A277-F282 HydrophobicContact CB-CZ 3.86Å; N278-F282 WeakPolarHBondContact O-CD2 3.25Å; K279-F282 PolarHBondContact O-N 2.79Å; F282-T286 HydrophobicContact CD1-CG2 3.82Å; F282-T286 HydrophobicContact CE1-CG2 4.5Å; F282-L287 HydrophobicContact CB-CD1 4.47Å; F282-L287 HydrophobicContact CB-CD2 3.68Å; F282-L287 HydrophobicContact CB-CG 3.81Å; F282-L287 HydrophobicContact CG-CD2 4.22Å; F282-L290 HydrophobicContact CD1-CD1 4.18Å; F282-L290 HydrophobicContact CE1-CD1 3.98Å; F282-I302 HydrophobicContact CD2-CG2 4.42Å; F282-I302 HydrophobicContact CE1-CD1 4.44Å; F282-I302 HydrophobicContact CE2-CG2 4.1Å; F282-I302 HydrophobicContact CZ-CD1 4.43Å
283	S	97.6	Very high	97.4	Very high	49 Å²	49	48.5 Å²	48.5	34%	0.343	28%	0.278	S	S	.	.			trans	-73.3	165.8	172.8	80.3	0	0	0	0	112	E285 T286 L287	S283-E285 WeakPolarHBondContact CB-OE2 3.31Å; S283-E285 PolarHBondContact O-N 2.8Å; S283-E285 PolarHBondContact OG-N 3.32Å; S283-E285 PolarHBondContact OG-OE2 3.47Å; S283-T286 PolarHBondContact O-N 3.05Å; S283-T286 PolarHBondContact OG-N 2.93Å; S283-T286 PolarHBondContact OG-OG1 2.81Å; S283-L287 WeakPolarHBondContact O-CB 3.18Å; S283-L287 VanDerWaalsContact O-CG 3.32Å; S283-L287 WeakPolarHBondContact O-CG 3.21Å; S283-L287 PolarHBondContact O-N 2.79Å
284	S	97.6	Very high	97.1	Very high	84 Å²	84	51 Å²	51	59%	0.587	30%	0.295	S	S	*	.	H	α-helix	trans	-54.9	-38.3	172.9	31.1	0	0	0	0	112.7	S288	S284-S288 VanDerWaalsContact O-CB 3.29Å; S284-S288 WeakPolarHBondContact O-CB 3.48Å; S284-S288 PolarHBondContact O-N 2.88Å
285	E	97.8	Very high	96.7	Very high	126 Å²	126	55.5 Å²	55.5	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-68.2	-43.1	179.9	-56.2	67.7	-138.8	0	0	110.5	S283 S288 Y289	S283-E285 WeakPolarHBondContact CB-OE2 3.31Å; S283-E285 PolarHBondContact O-N 2.8Å; S283-E285 PolarHBondContact OG-N 3.32Å; S283-E285 PolarHBondContact OG-OE2 3.47Å; E285-S288 WeakPolarHBondContact O-CB 3.39Å; E285-S288 PolarHBondContact O-N 2.69Å; E285-Y289 WeakPolarHBondContact O-CB 3.5Å; E285-Y289 PolarHBondContact O-N 3.01Å
286	T	98.1	Very high	96.5	Very high	9 Å²	9	56.8 Å²	56.8	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-70.2	-39.5	179.4	-52.3	0	0	0	0	111.3	I204 L251 F282 S283 S288 Y289 L290	I204-T286 PolarHBondContact O-OG1 3.25Å; L251-T286 HydrophobicContact CD2-CG2 3.83Å; F282-T286 HydrophobicContact CD1-CG2 3.82Å; F282-T286 HydrophobicContact CE1-CG2 4.5Å; S283-T286 PolarHBondContact O-N 3.05Å; S283-T286 PolarHBondContact OG-N 2.93Å; S283-T286 PolarHBondContact OG-OG1 2.81Å; T286-S288 VanDerWaalsContact C-N 3.33Å; T286-S288 PolarHBondContact O-N 3.47Å; T286-Y289 WeakPolarHBondContact O-CB 3.43Å; T286-Y289 PolarHBondContact O-N 3.4Å; T286-L290 HydrophobicContact CG2-CD1 4.49Å; T286-L290 WeakPolarHBondContact O-CG 3.27Å; T286-L290 PolarHBondContact O-N 2.97Å; T286-L290 VanDerWaalsContact O-N 3.12Å
287	L	98.2	Very high	96.3	Very high	39 Å²	39	60 Å²	60	20%	0.204	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-41.3	173.1	-70.5	174.4	0	0	0	111.7	F282 S283 L290 N291 S292 I302	F282-L287 HydrophobicContact CB-CD1 4.47Å; F282-L287 HydrophobicContact CB-CD2 3.68Å; F282-L287 HydrophobicContact CB-CG 3.81Å; F282-L287 HydrophobicContact CG-CD2 4.22Å; S283-L287 WeakPolarHBondContact O-CB 3.18Å; S283-L287 VanDerWaalsContact O-CG 3.32Å; S283-L287 WeakPolarHBondContact O-CG 3.21Å; S283-L287 PolarHBondContact O-N 2.79Å; L287-L290 PolarHBondContact O-N 3.32Å; L287-N291 PolarHBondContact O-N 3.37Å; L287-S292 WeakPolarHBondContact CB-OG 3.49Å; L287-S292 WeakPolarHBondContact CD2-OG 3.34Å; L287-S292 PolarHBondContact O-N 3.5Å; L287-S292 PolarHBondContact O-OG 2.96Å; L287-I302 HydrophobicContact CD2-CG1 4.11Å
288	S	97.7	Very high	96.3	Very high	82 Å²	82	62.7 Å²	62.7	57%	0.573	37%	0.373	S	S	*	.	H	α-helix	trans	-63.6	-45.3	174	-172.7	0	0	0	0	111.8	S284 E285 T286 L290 N291	S284-S288 VanDerWaalsContact O-CB 3.29Å; S284-S288 WeakPolarHBondContact O-CB 3.48Å; S284-S288 PolarHBondContact O-N 2.88Å; E285-S288 WeakPolarHBondContact O-CB 3.39Å; E285-S288 PolarHBondContact O-N 2.69Å; T286-S288 VanDerWaalsContact C-N 3.33Å; T286-S288 PolarHBondContact O-N 3.47Å; S288-L290 PolarHBondContact O-N 3.09Å; S288-N291 PolarHBondContact O-N 3.41Å; S288-N291 PolarHBondContact O-OD1 3.32Å
289	Y	98.2	Very high	96.4	Very high	70 Å²	70	60.2 Å²	60.2	28%	0.275	36%	0.36	S	S	.	.	H	α-helix	trans	-55.6	-36.1	176.2	172.3	-96.1	0	0	0	113.3	A206 W216 F249 L251 E285 T286 N291	A206-Y289 HydrophobicContact CB-CD1 3.65Å; A206-Y289 HydrophobicContact CB-CD2 4.1Å; A206-Y289 HydrophobicContact CB-CE1 3.7Å; A206-Y289 HydrophobicContact CB-CE2 4.13Å; A206-Y289 HydrophobicContact CB-CG 3.85Å; W216-Y289 AromaticContact CD1-CE1 3.46Å; W216-Y289 VanDerWaalsContact CD1-CE1 3.46Å; W216-Y289 AromaticContact CD1-CZ 3.38Å; W216-Y289 HydrophobicContact CG-CE1 4.39Å; W216-Y289 AromaticContact NE1-CE1 3.83Å; W216-Y289 AromaticContact NE1-CZ 3.97Å; W216-Y289 PolarHBondContact NE1-O 3.45Å; W216-Y289 VanDerWaalsContact NE1-O 3.11Å; F249-Y289 WeakPolarHBondContact O-CE1 3.46Å; F249-Y289 PolarHBondContact O-OH 3.29Å; L251-Y289 HydrophobicContact CD2-CD1 4.38Å; L251-Y289 HydrophobicContact CD2-CE1 4.31Å; E285-Y289 WeakPolarHBondContact O-CB 3.5Å; E285-Y289 PolarHBondContact O-N 3.01Å; T286-Y289 WeakPolarHBondContact O-CB 3.43Å; T286-Y289 PolarHBondContact O-N 3.4Å; Y289-N291 VanDerWaalsContact C-N 3.33Å
290	L	98.3	Very high	96.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	1.6	178.2	-64.6	175.8	0	0	0	113.9	F249 L251 L275 F282 T286 L287 S288 S292 V300 I302	F249-L290 HydrophobicContact CB-CD2 4.2Å; F249-L290 HydrophobicContact CD1-CD2 4.2Å; F249-L290 HydrophobicContact CG-CD2 4.37Å; L251-L290 HydrophobicContact CD1-CD1 4.02Å; L251-L290 HydrophobicContact CD1-CD2 4.2Å; L251-L290 HydrophobicContact CD2-CD2 4.49Å; L275-L290 HydrophobicContact CD2-CD1 4.48Å; F282-L290 HydrophobicContact CD1-CD1 4.18Å; F282-L290 HydrophobicContact CE1-CD1 3.98Å; T286-L290 HydrophobicContact CG2-CD1 4.49Å; T286-L290 WeakPolarHBondContact O-CG 3.27Å; T286-L290 PolarHBondContact O-N 2.97Å; T286-L290 VanDerWaalsContact O-N 3.12Å; L287-L290 PolarHBondContact O-N 3.32Å; S288-L290 PolarHBondContact O-N 3.09Å; L290-S292 PolarHBondContact O-N 3.3Å; L290-V300 HydrophobicContact CB-CB 4.04Å; L290-V300 HydrophobicContact CB-CG2 4.11Å; L290-V300 HydrophobicContact CD2-CG2 4.21Å; L290-V300 WeakPolarHBondContact O-CG2 3.22Å; L290-V300 PolarHBondContact O-N 2.82Å; L290-V300 VanDerWaalsContact O-N 3.12Å; L290-I302 HydrophobicContact CD1-CD1 4.13Å
291	N	97.2	Very high	96.7	Very high	66 Å²	66	53.8 Å²	53.8	35%	0.353	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	43.4	-171.9	-61.4	-36.9	0	0	0	112.4	L287 S288 Y289 S293 C294 M298 C299	L287-N291 PolarHBondContact O-N 3.37Å; S288-N291 PolarHBondContact O-N 3.41Å; S288-N291 PolarHBondContact O-OD1 3.32Å; Y289-N291 VanDerWaalsContact C-N 3.33Å; N291-S293 PolarHBondContact O-N 2.72Å; N291-S293 VanDerWaalsContact O-N 3.13Å; N291-C294 PolarHBondContact O-N 2.74Å; N291-C294 PolarHBondContact O-SG 2.69Å; N291-M298 PolarHBondContact ND2-O 2.94Å; N291-C299 WeakPolarHBondContact O-CB 3.33Å
292	S	96.1	Very high	96.7	Very high	37 Å²	37	54.2 Å²	54.2	26%	0.259	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-5.1	-168.3	78.6	0	0	0	0	114.9	L287 L290 V300	L287-S292 WeakPolarHBondContact CB-OG 3.49Å; L287-S292 WeakPolarHBondContact CD2-OG 3.34Å; L287-S292 PolarHBondContact O-N 3.5Å; L287-S292 PolarHBondContact O-OG 2.96Å; L290-S292 PolarHBondContact O-N 3.3Å; S292-V300 VanDerWaalsContact CA-O 3.29Å; S292-V300 WeakPolarHBondContact CA-O 3.49Å; S292-V300 WeakPolarHBondContact CB-O 3.06Å
293	S	93	Very high	96.7	Very high	122 Å²	122	55.4 Å²	55.4	85%	0.853	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-6.7	-179.9	59.1	0	0	0	0	113.7	N291	N291-S293 PolarHBondContact O-N 2.72Å; N291-S293 VanDerWaalsContact O-N 3.13Å
294	C	93.1	Very high	96.7	Very high	53 Å²	53	56.7 Å²	56.7	36%	0.358	33%	0.334	S	S	.	.	S	Bend	trans	-106.1	170.6	-179.8	64.1	0	0	0	0	113.2	N291 C299	N291-C294 PolarHBondContact O-N 2.74Å; N291-C294 PolarHBondContact O-SG 2.69Å; C294-C299 HydrophobicContact CB-CB 4.16Å; C294-C299 WeakPolarHBondContact CB-SG 3.3Å; C294-C299 WeakPolarHBondContact O-CB 3.46Å; C294-C299 WeakPolarHBondContact SG-CB 3.46Å; C294-C299 CovalentContact SG-SG 2.04Å; C294-C299 PolarHBondContact SG-SG 3.02Å
295	T	90.1	Very high	96.7	Very high	125 Å²	125	56 Å²	56	77%	0.767	32%	0.319	S	S	*	.			trans	-115.5	131.7	169.5	51.9	0	0	0	0	108.4
296	G	94.2	Very high	96.6	Very high	27 Å²	27	54.7 Å²	54.7	28%	0.278	32%	0.324	S	S	.	.	S	Bend	trans	155.2	177.1	179.2	0	0	0	0	0	113.1	S271 M298 C299	S271-G296 CarbonylContact O-C 3.34Å; G296-M298 PolarHBondContact O-N 3.27Å; G296-C299 PolarHBondContact O-N 2.72Å
297	P	95.8	Very high	96.6	Very high	67 Å²	67	58.2 Å²	58.2	44%	0.435	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.7	-175.8	-23.4	34.3	0	0	0	114.3	R224 S271 I273	R224-P297 PolarHBondContact NH1-O 3.01Å; R224-P297 PolarHBondContact NH2-O 3.46Å; S271-P297 VanDerWaalsContact O-CA 3.3Å; S271-P297 WeakPolarHBondContact O-CA 3.31Å; I273-P297 WeakPolarHBondContact CD1-O 3.48Å
298	M	97.4	Very high	96.5	Very high	58 Å²	58	56.6 Å²	56.6	29%	0.286	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	33.9	179.3	-61.8	-58.5	-171.6	0	0	112.2	W216 V220 S221 N291 G296	W216-M298 HydrophobicContact CH2-CB 4.29Å; W216-M298 WeakPolarHBondContact CH2-O 3.5Å; W216-M298 HydrophobicContact CZ3-SD 4.26Å; V220-M298 HydrophobicContact CB-SD 4.47Å; V220-M298 HydrophobicContact CG1-CE 4.17Å; V220-M298 HydrophobicContact CG1-SD 3.91Å; S221-M298 WeakPolarHBondContact OG-CE 3.3Å; N291-M298 PolarHBondContact ND2-O 2.94Å; G296-M298 PolarHBondContact O-N 3.27Å
299	C	97.8	Very high	96.5	Very high	10 Å²	10	55.8 Å²	55.8	7%	0.068	32%	0.316	C	S	.	.			trans	-117.4	127.6	171.1	-51.1	0	0	0	0	108.2	N291 C294 G296	N291-C299 WeakPolarHBondContact O-CB 3.33Å; C294-C299 HydrophobicContact CB-CB 4.16Å; C294-C299 WeakPolarHBondContact CB-SG 3.3Å; C294-C299 WeakPolarHBondContact O-CB 3.46Å; C294-C299 WeakPolarHBondContact SG-CB 3.46Å; C294-C299 CovalentContact SG-SG 2.04Å; C294-C299 PolarHBondContact SG-SG 3.02Å; G296-C299 PolarHBondContact O-N 2.72Å
300	V	98.6	Very high	96.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.6	179.4	-173.2	0	0	0	0	110	W216 F249 I273 L275 L290 S292 I302	W216-V300 HydrophobicContact CH2-CG2 4.08Å; W216-V300 HydrophobicContact CZ3-CG2 4.2Å; F249-V300 HydrophobicContact CD1-CG2 4.29Å; F249-V300 HydrophobicContact CE1-CG2 3.83Å; F249-V300 HydrophobicContact CZ-CG1 4.46Å; I273-V300 HydrophobicContact CB-CG2 4.45Å; I273-V300 HydrophobicContact CD1-CG2 4.29Å; I273-V300 HydrophobicContact CG2-CG1 4.12Å; I273-V300 HydrophobicContact CG2-CG2 4.18Å; L275-V300 HydrophobicContact CB-CG1 3.63Å; L275-V300 HydrophobicContact CD2-CG1 4.3Å; L290-V300 HydrophobicContact CB-CB 4.04Å; L290-V300 HydrophobicContact CB-CG2 4.11Å; L290-V300 HydrophobicContact CD2-CG2 4.21Å; L290-V300 WeakPolarHBondContact O-CG2 3.22Å; L290-V300 PolarHBondContact O-N 2.82Å; L290-V300 VanDerWaalsContact O-N 3.12Å; S292-V300 VanDerWaalsContact CA-O 3.29Å; S292-V300 WeakPolarHBondContact CA-O 3.49Å; S292-V300 WeakPolarHBondContact CB-O 3.06Å; V300-I302 HydrophobicContact CG1-CD1 3.9Å
301	Q	98.2	Very high	96.5	Very high	76 Å²	76	58.3 Å²	58.3	36%	0.355	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.5	175	-63.3	176	-33.2	0	0	109	I273 R274 L275	I273-Q301 WeakPolarHBondContact O-CB 3.08Å; I273-Q301 PolarHBondContact O-N 2.69Å; R274-Q301 WeakPolarHBondContact CA-O 3.37Å; R274-Q301 HydrophobicContact CG-CB 4.33Å; L275-Q301 PolarHBondContact N-O 3.39Å
302	I	98.2	Very high	96.5	Very high	23 Å²	23	55.2 Å²	55.2	12%	0.118	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116	176.7	-46.4	-58.7	0	0	0	109	L275 K279 F282 L287 L290 V300	L275-I302 HydrophobicContact CB-CD1 3.98Å; L275-I302 HydrophobicContact CD2-CD1 3.79Å; L275-I302 HydrophobicContact CG-CD1 4.1Å; L275-I302 WeakPolarHBondContact O-CA 3.2Å; K279-I302 HydrophobicContact CB-CG2 3.96Å; K279-I302 HydrophobicContact CG-CB 4.48Å; K279-I302 HydrophobicContact CG-CG2 4.07Å; F282-I302 HydrophobicContact CD2-CG2 4.42Å; F282-I302 HydrophobicContact CE1-CD1 4.44Å; F282-I302 HydrophobicContact CE2-CG2 4.1Å; F282-I302 HydrophobicContact CZ-CD1 4.43Å; L287-I302 HydrophobicContact CD2-CG1 4.11Å; L290-I302 HydrophobicContact CD1-CD1 4.13Å; V300-I302 HydrophobicContact CG1-CD1 3.9Å
303	E	97.8	Very high	96.6	Very high	40 Å²	40	57.9 Å²	57.9	19%	0.187	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	156.3	173.9	-70.4	-176.3	-156.6	0	0	109.6	R274 L275 F276 A277 S311	R274-E303 WeakPolarHBondContact CD-OE1 3.35Å; R274-E303 IonicContact NH1-OE1 2.67Å; R274-E303 IonicContact NH1-OE2 3.06Å; L275-E303 PolarHBondContact O-N 2.9Å; F276-E303 CarbonylContact C-O 3.56Å; F276-E303 VanDerWaalsContact CA-O 3.31Å; F276-E303 WeakPolarHBondContact CA-O 3.32Å; F276-E303 HydrophobicContact CD1-CB 3.71Å; F276-E303 HydrophobicContact CE1-CB 3.86Å; F276-E303 HydrophobicContact CE1-CG 4.45Å; F276-E303 WeakPolarHBondContact CE1-OE2 3.49Å; A277-E303 PolarHBondContact N-O 2.98Å; E303-S311 PolarHBondContact OE2-OG 3.28Å
304	D	97.7	Very high	96.9	Very high	76 Å²	76	54.9 Å²	54.9	41%	0.406	31%	0.31	S	S	.	.			trans	-67.9	142	179.8	-76.6	-43.3	0	0	0	110.6	S306 Q307	D304-S306 PolarHBondContact O-N 3.17Å; D304-S306 VanDerWaalsContact O-N 3.15Å; D304-Q307 HydrophobicContact CB-CG 4.09Å; D304-Q307 WeakPolarHBondContact O-CB 3.29Å; D304-Q307 PolarHBondContact O-N 3.3Å
305	Y	97.4	Very high	97.1	Very high	68 Å²	68	54.8 Å²	54.8	27%	0.267	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-52.3	-40.4	-177.2	177.6	-95.8	0	0	0	113	H77 Y265 Q307 V308	H77-Y305 AromaticContact CE1-CE2 3.76Å; H77-Y305 AromaticContact NE2-CE2 3.41Å; H77-Y305 WeakPolarHBondContact NE2-CE2 3.43Å; H77-Y305 AromaticContact NE2-CZ 3.51Å; H77-Y305 PolarHBondContact NE2-OH 3.44Å; Y265-Y305 HydrophobicContact CD2-CD2 4.2Å; Y265-Y305 AromaticContact CD2-CE2 3.62Å; Y265-Y305 HydrophobicContact CD2-CE2 3.62Å; Y265-Y305 HydrophobicContact CE2-CD2 4.46Å; Y265-Y305 AromaticContact CE2-CE2 3.53Å; Y265-Y305 HydrophobicContact CE2-CE2 3.53Å; Y265-Y305 AromaticContact CE2-CZ 3.69Å; Y265-Y305 WeakPolarHBondContact CE2-OH 3.34Å; Y305-Q307 PolarHBondContact O-N 2.87Å; Y305-V308 VanDerWaalsContact O-CG1 3.31Å; Y305-V308 WeakPolarHBondContact O-CG1 3.49Å; Y305-V308 PolarHBondContact O-N 3.47Å
306	S	95.7	Very high	97.5	Very high	99 Å²	99	49 Å²	49	69%	0.692	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-67.5	-18.6	179.8	56	0	0	0	0	114.3	D304 V308	D304-S306 PolarHBondContact O-N 3.17Å; D304-S306 VanDerWaalsContact O-N 3.15Å; S306-V308 VanDerWaalsContact C-N 3.29Å; S306-V308 PolarHBondContact O-N 3.48Å
307	Q	97.4	Very high	97.6	Very high	84 Å²	84	54.9 Å²	54.9	39%	0.393	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-80.2	-10.6	-178.6	-64.1	178.7	-31.8	0	0	112.9	D304 Y305 R309 D310 S311	D304-Q307 HydrophobicContact CB-CG 4.09Å; D304-Q307 WeakPolarHBondContact O-CB 3.29Å; D304-Q307 PolarHBondContact O-N 3.3Å; Y305-Q307 PolarHBondContact O-N 2.87Å; Q307-R309 VanDerWaalsContact C-N 3.34Å; Q307-R309 PolarHBondContact O-N 3.19Å; Q307-D310 PolarHBondContact O-N 3.1Å; Q307-S311 VanDerWaalsContact O-CB 3.27Å; Q307-S311 WeakPolarHBondContact O-CB 3.42Å; Q307-S311 PolarHBondContact O-N 2.8Å
308	V	97.8	Very high	97.7	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-51.9	-49.4	-172.8	63.7	0	0	0	0	112.6	Y265 F276 Y305 S306 D310 S311 I312 I333	Y265-V308 HydrophobicContact CD1-CG2 4.22Å; Y265-V308 HydrophobicContact CD2-CB 4.01Å; Y265-V308 HydrophobicContact CD2-CG1 3.8Å; Y265-V308 HydrophobicContact CD2-CG2 3.78Å; Y265-V308 HydrophobicContact CE2-CG1 3.9Å; Y265-V308 HydrophobicContact CE2-CG2 4.47Å; Y265-V308 HydrophobicContact CG-CB 4.36Å; Y265-V308 HydrophobicContact CG-CG1 4.49Å; Y265-V308 HydrophobicContact CG-CG2 3.64Å; F276-V308 HydrophobicContact CB-CB 4.19Å; F276-V308 HydrophobicContact CD1-CB 3.89Å; F276-V308 HydrophobicContact CD1-CG2 4.4Å; F276-V308 HydrophobicContact CD2-CB 4.29Å; F276-V308 HydrophobicContact CD2-CG2 3.96Å; F276-V308 HydrophobicContact CE1-CB 4.34Å; F276-V308 HydrophobicContact CE2-CG2 4.24Å; F276-V308 HydrophobicContact CG-CB 3.86Å; F276-V308 HydrophobicContact CG-CG2 4.05Å; Y305-V308 VanDerWaalsContact O-CG1 3.31Å; Y305-V308 WeakPolarHBondContact O-CG1 3.49Å; Y305-V308 PolarHBondContact O-N 3.47Å; S306-V308 VanDerWaalsContact C-N 3.29Å; S306-V308 PolarHBondContact O-N 3.48Å; V308-D310 PolarHBondContact O-N 3.09Å; V308-S311 PolarHBondContact O-N 3.44Å; V308-I312 HydrophobicContact CG2-CG1 4.08Å; V308-I312 WeakPolarHBondContact O-CB 3.24Å; V308-I312 VanDerWaalsContact O-CG1 3.23Å; V308-I312 WeakPolarHBondContact O-CG1 3.5Å; V308-I312 PolarHBondContact O-N 2.85Å; V308-I333 HydrophobicContact CG1-CD1 4.02Å; V308-I333 HydrophobicContact CG2-CD1 4.01Å
309	R	97.2	Very high	97.6	Very high	65 Å²	65	57 Å²	57	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-49.3	-173.7	-172.3	173.5	-179.2	-94.3	8.4	111.6	F159 Q307 I312 Q313 G332 E335 V336	F159-R309 HydrophobicContact CZ-CB 4.39Å; Q307-R309 VanDerWaalsContact C-N 3.34Å; Q307-R309 PolarHBondContact O-N 3.19Å; R309-I312 PolarHBondContact O-N 3.49Å; R309-Q313 WeakPolarHBondContact O-CB 3.26Å; R309-Q313 PolarHBondContact O-N 3.47Å; R309-G332 PolarHBondContact NE-O 3.31Å; R309-E335 IonicContact CZ-OE1 3.33Å; R309-E335 IonicContact NE-OE1 3.19Å; R309-E335 PolarHBondContact NE-OE1 2.86Å; R309-E335 IonicContact NH2-OE1 3.49Å; R309-E335 PolarHBondContact NH2-OE1 3.37Å; R309-V336 HydrophobicContact CG-CG1 3.9Å; R309-V336 HydrophobicContact CG-CG2 4.29Å
310	D	97.7	Very high	97.6	Very high	101 Å²	101	57.1 Å²	57.1	54%	0.54	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-40	179.5	-64.4	-11.1	0	0	0	111.2	Q307 V308 I312 Q313 A314	Q307-D310 PolarHBondContact O-N 3.1Å; V308-D310 PolarHBondContact O-N 3.09Å; D310-I312 PolarHBondContact O-N 2.78Å; D310-Q313 PolarHBondContact O-N 2.68Å; D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.48Å; D310-A314 PolarHBondContact O-N 3.18Å
311	S	98.1	Very high	97.6	Very high	22 Å²	22	61.3 Å²	61.3	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-33.2	177.1	-88.5	0	0	0	0	113.5	R274 F276 E303 Q307 V308 Y315	R274-S311 PolarHBondContact NH1-OG 2.67Å; R274-S311 PolarHBondContact NH2-O 3.42Å; R274-S311 VanDerWaalsContact NH2-O 3.14Å; F276-S311 VanDerWaalsContact CE1-CB 3.46Å; E303-S311 PolarHBondContact OE2-OG 3.28Å; Q307-S311 VanDerWaalsContact O-CB 3.27Å; Q307-S311 WeakPolarHBondContact O-CB 3.42Å; Q307-S311 PolarHBondContact O-N 2.8Å; V308-S311 PolarHBondContact O-N 3.44Å; S311-Y315 VanDerWaalsContact O-CB 3.3Å; S311-Y315 WeakPolarHBondContact O-CB 3.31Å; S311-Y315 PolarHBondContact O-N 2.96Å
312	I	98.3	Very high	97.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-75.5	-44.4	173.5	-66.5	-52.4	0	0	0	110.6	L238 L267 V308 R309 D310 A314 Y315 A316 V336 I337	L238-I312 HydrophobicContact CD1-CD1 3.81Å; L238-I312 HydrophobicContact CD1-CG1 4.29Å; L238-I312 HydrophobicContact CD2-CD1 4.13Å; L238-I312 HydrophobicContact CD2-CG1 4.17Å; L238-I312 HydrophobicContact CD2-CG2 4.22Å; L267-I312 HydrophobicContact CB-CD1 4.08Å; L267-I312 HydrophobicContact CD1-CD1 3.88Å; L267-I312 HydrophobicContact CD2-CD1 3.95Å; L267-I312 HydrophobicContact CG-CD1 4.19Å; V308-I312 HydrophobicContact CG2-CG1 4.08Å; V308-I312 WeakPolarHBondContact O-CB 3.24Å; V308-I312 VanDerWaalsContact O-CG1 3.23Å; V308-I312 WeakPolarHBondContact O-CG1 3.5Å; V308-I312 PolarHBondContact O-N 2.85Å; R309-I312 PolarHBondContact O-N 3.49Å; D310-I312 PolarHBondContact O-N 2.78Å; I312-A314 VanDerWaalsContact C-N 3.35Å; I312-A314 PolarHBondContact O-N 3.1Å; I312-Y315 PolarHBondContact O-N 2.68Å; I312-A316 WeakPolarHBondContact O-CB 3.16Å; I312-A316 PolarHBondContact O-N 2.74Å; I312-V336 HydrophobicContact CG2-CG2 4.26Å; I312-I337 HydrophobicContact CG2-CD1 3.91Å; I312-I337 HydrophobicContact CG2-CG1 3.71Å
313	Q	97.8	Very high	97.7	Very high	93 Å²	93	57.3 Å²	57.3	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-57.8	-48.1	176.2	-171.8	178.1	26	0	0	111.3	R309 D310 Y315 A316 L317 V336	R309-Q313 WeakPolarHBondContact O-CB 3.26Å; R309-Q313 PolarHBondContact O-N 3.47Å; D310-Q313 PolarHBondContact O-N 2.68Å; Q313-Y315 VanDerWaalsContact C-N 3.33Å; Q313-Y315 PolarHBondContact O-N 3.23Å; Q313-A316 PolarHBondContact O-N 3Å; Q313-L317 PolarHBondContact O-N 3.47Å; Q313-V336 HydrophobicContact CB-CB 4.08Å; Q313-V336 HydrophobicContact CB-CG2 4.35Å; Q313-V336 HydrophobicContact CG-CB 4.27Å
314	A	98.2	Very high	97.7	Very high	60 Å²	60	55.4 Å²	55.4	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-39.8	177.4	0	0	0	0	0	112.2	D310 I312 A316 L317	D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.48Å; D310-A314 PolarHBondContact O-N 3.18Å; I312-A314 VanDerWaalsContact C-N 3.35Å; I312-A314 PolarHBondContact O-N 3.1Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A314-L317 WeakPolarHBondContact O-CB 3.49Å; A314-L317 PolarHBondContact O-N 3Å
315	Y	97.9	Very high	97.7	Very high	50 Å²	50	51.8 Å²	51.8	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-38.3	176.4	-178.8	-104.3	0	0	0	112.5	A236 L267 T269 S311 I312 Q313 L317 G318 V320 I322	A236-Y315 HydrophobicContact CB-CE1 3.79Å; L267-Y315 HydrophobicContact CD1-CD1 4.43Å; L267-Y315 HydrophobicContact CD1-CE1 4.35Å; L267-Y315 HydrophobicContact CD2-CD1 3.77Å; L267-Y315 HydrophobicContact CD2-CD2 4.11Å; L267-Y315 HydrophobicContact CD2-CE1 4.03Å; L267-Y315 HydrophobicContact CD2-CE2 4.36Å; L267-Y315 HydrophobicContact CD2-CG 3.82Å; T269-Y315 HydrophobicContact CG2-CE2 4.08Å; S311-Y315 VanDerWaalsContact O-CB 3.3Å; S311-Y315 WeakPolarHBondContact O-CB 3.31Å; S311-Y315 PolarHBondContact O-N 2.96Å; I312-Y315 PolarHBondContact O-N 2.68Å; Q313-Y315 VanDerWaalsContact C-N 3.33Å; Q313-Y315 PolarHBondContact O-N 3.23Å; Y315-L317 PolarHBondContact O-N 3.26Å; Y315-G318 PolarHBondContact O-N 3.06Å; Y315-G318 VanDerWaalsContact O-N 3.11Å; Y315-V320 HydrophobicContact CD1-CG1 4.37Å; Y315-V320 HydrophobicContact CD1-CG2 4.18Å; Y315-V320 HydrophobicContact CE1-CB 3.83Å; Y315-V320 HydrophobicContact CE1-CG1 3.75Å; Y315-V320 HydrophobicContact CE1-CG2 3.97Å; Y315-V320 HydrophobicContact CE2-CG1 3.91Å; Y315-V320 VanDerWaalsContact CZ-CG1 3.47Å; Y315-I322 HydrophobicContact CD1-CD1 3.81Å; Y315-I322 HydrophobicContact CD1-CG1 4.28Å; Y315-I322 HydrophobicContact CE1-CD1 4.11Å; Y315-I322 HydrophobicContact CE1-CG1 4.06Å
316	A	97.8	Very high	97.6	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-16.4	-179.5	0	0	0	0	0	113.9	I312 Q313 A314 G318 I322	I312-A316 WeakPolarHBondContact O-CB 3.16Å; I312-A316 PolarHBondContact O-N 2.74Å; Q313-A316 PolarHBondContact O-N 3Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A316-G318 PolarHBondContact O-N 3.46Å; A316-I322 HydrophobicContact CB-CD1 4.24Å
317	L	97	Very high	97.4	Very high	151 Å²	151	46.4 Å²	46.4	79%	0.791	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.4	171.6	-61.7	176.9	0	0	0	113	Q313 A314 Y315	Q313-L317 PolarHBondContact O-N 3.47Å; A314-L317 WeakPolarHBondContact O-CB 3.49Å; A314-L317 PolarHBondContact O-N 3Å; Y315-L317 PolarHBondContact O-N 3.26Å
318	G	96.8	Very high	97.3	Very high	33 Å²	33	43.2 Å²	43.2	34%	0.34	23%	0.232	S	C	.	.	S	Bend	trans	-76.1	178.7	178.4	0	0	0	0	0	114	Y315 A316 V320 K341	Y315-G318 PolarHBondContact O-N 3.06Å; Y315-G318 VanDerWaalsContact O-N 3.11Å; A316-G318 PolarHBondContact O-N 3.46Å; G318-V320 VanDerWaalsContact C-N 3.31Å; G318-V320 PolarHBondContact O-N 2.95Å; G318-K341 PolarHBondContact O-NZ 2.97Å
319	D	96.3	Very high	97.2	Very high	138 Å²	138	43.1 Å²	43.1	74%	0.738	23%	0.231	S	C	*	.	S	Bend	trans	-81.6	80.6	168.3	-171.5	26.8	0	0	0	110.8	K341	D319-K341 IonicContact OD1-NZ 3.88Å
320	V	98.1	Very high	97.2	Very high	12 Å²	12	40.1 Å²	40.1	7%	0.073	22%	0.22	C	C	.	.			trans	-128.2	158.9	-173.1	-59.1	0	0	0	0	111.6	T235 Y315 G318 I322 K341	T235-V320 WeakPolarHBondContact OG1-CA 3.27Å; Y315-V320 HydrophobicContact CD1-CG1 4.37Å; Y315-V320 HydrophobicContact CD1-CG2 4.18Å; Y315-V320 HydrophobicContact CE1-CB 3.83Å; Y315-V320 HydrophobicContact CE1-CG1 3.75Å; Y315-V320 HydrophobicContact CE1-CG2 3.97Å; Y315-V320 HydrophobicContact CE2-CG1 3.91Å; Y315-V320 VanDerWaalsContact CZ-CG1 3.47Å; G318-V320 VanDerWaalsContact C-N 3.31Å; G318-V320 PolarHBondContact O-N 2.95Å; V320-I322 HydrophobicContact CG2-CD1 4.31Å; V320-I322 HydrophobicContact CG2-CG1 4.11Å; V320-K341 HydrophobicContact CG2-CD 4.35Å; V320-K341 WeakPolarHBondContact O-CD 3.22Å
321	R	98.5	Very high	97.2	Very high	89 Å²	89	36.9 Å²	36.9	34%	0.336	20%	0.201	S	C	.	.			trans	-130.4	114.7	168.1	-73.6	179.3	-61.7	-74	-3.2	108.2	K232 A233 T235 A236 K341 V343	K232-R321 WeakPolarHBondContact O-CD 3.29Å; K232-R321 PolarHBondContact O-NE 3.3Å; A233-R321 VanDerWaalsContact O-CZ 3.25Å; A233-R321 PolarHBondContact O-NE 2.87Å; A233-R321 PolarHBondContact O-NH2 2.83Å; T235-R321 PolarHBondContact N-O 3.23Å; T235-R321 PolarHBondContact OG1-N 3.05Å; T235-R321 PolarHBondContact OG1-O 2.79Å; A236-R321 PolarHBondContact N-O 2.99Å; A236-R321 VanDerWaalsContact N-O 3.09Å; R321-K341 CarbonylContact C-O 3.51Å; R321-K341 VanDerWaalsContact CA-O 3.3Å; R321-K341 WeakPolarHBondContact CA-O 3.19Å; R321-V343 HydrophobicContact CB-CG2 4.02Å
322	I	98.7	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.7	-171.9	-51	-178.1	0	0	0	108.7	L238 Y315 A316 V320 I324 I337 K341 V343	L238-I322 HydrophobicContact CB-CG2 3.83Å; L238-I322 HydrophobicContact CD2-CG2 4.49Å; Y315-I322 HydrophobicContact CD1-CD1 3.81Å; Y315-I322 HydrophobicContact CD1-CG1 4.28Å; Y315-I322 HydrophobicContact CE1-CD1 4.11Å; Y315-I322 HydrophobicContact CE1-CG1 4.06Å; A316-I322 HydrophobicContact CB-CD1 4.24Å; V320-I322 HydrophobicContact CG2-CD1 4.31Å; V320-I322 HydrophobicContact CG2-CG1 4.11Å; I322-I324 HydrophobicContact CG2-CG2 4.22Å; I322-I337 HydrophobicContact CD1-CD1 4.28Å; I322-I337 HydrophobicContact CD1-CG1 4.34Å; I322-I337 HydrophobicContact CD1-CG2 3.98Å; I322-I337 HydrophobicContact CG2-CD1 4.35Å; I322-K341 PolarHBondContact N-O 3.08Å; I322-V343 PolarHBondContact O-N 3.2Å
323	W	98.8	Very high	97.1	Very high	14 Å²	14	35.9 Å²	35.9	5%	0.053	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.4	176.2	-168.1	7.5	0	0	0	110.9	Q226 M227 H230 P234 A236 V237 L238 V343 D345 P349	Q226-W323 HydrophobicContact CB-CZ3 4.4Å; M227-W323 HydrophobicContact CG-CE3 4.2Å; M227-W323 HydrophobicContact CG-CZ3 4.39Å; H230-W323 HydrophobicContact CB-CZ3 4.43Å; H230-W323 AromaticContact CD2-CH2 3.87Å; H230-W323 AromaticContact CD2-CZ2 3.72Å; P234-W323 HydrophobicContact CB-CB 3.78Å; P234-W323 HydrophobicContact CG-CB 4.12Å; P234-W323 HydrophobicContact CG-CD2 4.18Å; P234-W323 HydrophobicContact CG-CE3 3.71Å; P234-W323 HydrophobicContact CG-CG 4.4Å; P234-W323 HydrophobicContact CG-CZ3 4.46Å; A236-W323 WeakPolarHBondContact O-CB 3.38Å; A236-W323 PolarHBondContact O-N 2.82Å; V237-W323 WeakPolarHBondContact CA-O 3.31Å; V237-W323 HydrophobicContact CG2-CB 4.06Å; V237-W323 HydrophobicContact CG2-CD2 4.29Å; V237-W323 HydrophobicContact CG2-CE3 3.69Å; V237-W323 HydrophobicContact CG2-CG 4.49Å; L238-W323 PolarHBondContact N-O 3.48Å; W323-V343 CarbonylContact C-O 3.58Å; W323-V343 WeakPolarHBondContact CA-O 3.41Å; W323-V343 HydrophobicContact CB-CB 4.23Å; W323-V343 HydrophobicContact CB-CG1 4.24Å; W323-V343 HydrophobicContact CG-CB 4.46Å; W323-V343 HydrophobicContact CG-CG1 3.99Å; W323-D345 VanDerWaalsContact CE2-OD2 3.29Å; W323-D345 WeakPolarHBondContact CZ2-OD2 3.31Å; W323-D345 PolarHBondContact NE1-OD2 2.95Å; W323-P349 HydrophobicContact CD2-CG 4.28Å; W323-P349 HydrophobicContact CE3-CG 3.79Å; W323-P349 HydrophobicContact CH2-CB 3.64Å; W323-P349 HydrophobicContact CH2-CG 3.77Å; W323-P349 HydrophobicContact CZ2-CB 4.3Å; W323-P349 HydrophobicContact CZ2-CG 4.26Å; W323-P349 HydrophobicContact CZ3-CB 3.78Å; W323-P349 HydrophobicContact CZ3-CG 3.52Å
324	I	98.3	Very high	97	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.3	176.8	63.8	169.4	0	0	0	111.3	I163 L238 I322 T329 Y334 L342 V343 T344 D345	I163-I324 HydrophobicContact CD1-CD1 3.97Å; L238-I324 HydrophobicContact CB-CG2 4.05Å; L238-I324 HydrophobicContact CD2-CG2 4.4Å; I322-I324 HydrophobicContact CG2-CG2 4.22Å; I324-T329 HydrophobicContact CD1-CG2 4.41Å; I324-Y334 HydrophobicContact CD1-CD2 3.94Å; I324-L342 HydrophobicContact CD1-CD2 3.79Å; I324-L342 HydrophobicContact CG1-CD2 4.21Å; I324-V343 PolarHBondContact N-O 2.78Å; I324-T344 HydrophobicContact CD1-CG2 4.18Å; I324-T344 HydrophobicContact CG1-CG2 3.95Å; I324-D345 PolarHBondContact O-N 2.89Å
325	G	97.1	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.1	162.6	0	0	0	0	0	110.4	T329 D345 T346	G325-T329 VanDerWaalsContact O-CB 3.31Å; G325-T329 WeakPolarHBondContact O-CB 3.25Å; G325-T329 PolarHBondContact O-OG1 3.18Å; G325-D345 CarbonylContact C-O 3.59Å; G325-D345 WeakPolarHBondContact CA-O 3.48Å; G325-T346 CarbonylContact C-O 3.58Å
326	T	95.3	Very high	96.9	Very high	27 Å²	27	30.7 Å²	30.7	17%	0.166	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.2	-173	59.2	0	0	0	0	113.9	I163 Y328 T344 D345 T346	I163-T326 HydrophobicContact CD1-CG2 4.38Å; T326-Y328 PolarHBondContact O-N 3Å; T326-Y328 VanDerWaalsContact O-N 3.17Å; T326-T344 HydrophobicContact CG2-CG2 3.77Å; T326-D345 PolarHBondContact N-O 3.2Å; T326-D345 PolarHBondContact OG1-O 3.17Å; T326-T346 PolarHBondContact N-O 2.73Å
327	S	92.9	Very high	96.9	Very high	26 Å²	26	30.9 Å²	30.9	18%	0.182	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.5	-172.5	-70	0	0	0	0	115.6	T346	S327-T346 WeakPolarHBondContact CB-O 3.38Å; S327-T346 PolarHBondContact N-O 2.91Å; S327-T346 VanDerWaalsContact N-O 3.11Å; S327-T346 WeakPolarHBondContact OG-CG2 3.13Å; S327-T346 PolarHBondContact OG-O 3.43Å
328	Y	94	Very high	96.9	Very high	18 Å²	18	25.9 Å²	25.9	7%	0.071	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.1	-2.9	-176.2	54.3	-93.1	0	0	0	114	S240 A241 E244 T326 M330 Y347 S348 M351	S240-Y328 WeakPolarHBondContact OG-CD2 3.48Å; S240-Y328 WeakPolarHBondContact OG-CE2 3.23Å; A241-Y328 HydrophobicContact CB-CD2 3.62Å; A241-Y328 HydrophobicContact CB-CE2 3.59Å; A241-Y328 HydrophobicContact CB-CG 4.33Å; E244-Y328 PolarHBondContact OE1-OH 3.1Å; E244-Y328 VanDerWaalsContact OE2-CE2 3.27Å; E244-Y328 WeakPolarHBondContact OE2-CE2 3.28Å; E244-Y328 VanDerWaalsContact OE2-CZ 3.29Å; E244-Y328 PolarHBondContact OE2-OH 2.9Å; T326-Y328 PolarHBondContact O-N 3Å; T326-Y328 VanDerWaalsContact O-N 3.17Å; Y328-M330 PolarHBondContact O-N 3.12Å; Y328-Y347 HydrophobicContact CD1-CD1 4.39Å; Y328-Y347 HydrophobicContact CE1-CD1 4.05Å; Y328-S348 VanDerWaalsContact OH-CB 3.32Å; Y328-S348 WeakPolarHBondContact OH-CB 3.45Å; Y328-S348 PolarHBondContact OH-N 2.77Å; Y328-M351 HydrophobicContact CD1-CE 4.09Å; Y328-M351 HydrophobicContact CE1-CE 3.61Å; Y328-M351 HydrophobicContact CE2-CE 4.42Å
329	T	96.9	Very high	96.9	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	15%	0.154	C	C	.	.			trans	-74.3	127.6	177.9	-67.4	0	0	0	0	110	I163 S240 I324 G325	I163-T329 HydrophobicContact CD1-CG2 3.99Å; I163-T329 WeakPolarHBondContact CG1-O 3.33Å; I163-T329 PolarHBondContact N-O 3.33Å; I163-T329 VanDerWaalsContact N-O 3.14Å; S240-T329 PolarHBondContact OG-OG1 2.79Å; I324-T329 HydrophobicContact CD1-CG2 4.41Å; G325-T329 VanDerWaalsContact O-CB 3.31Å; G325-T329 WeakPolarHBondContact O-CB 3.25Å; G325-T329 PolarHBondContact O-OG1 3.18Å
330	M	97.6	Very high	97	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-76	147.8	177	-63.1	-54.4	-162.5	0	0	112.5	T74 D75 A76 M78 F159 S162 Y328 G332 I333 Y334	T74-M330 HydrophobicContact CG2-CE 3.99Å; T74-M330 WeakPolarHBondContact OG1-CE 3.41Å; D75-M330 WeakPolarHBondContact O-CE 3.47Å; A76-M330 VanDerWaalsContact O-CG 3.24Å; A76-M330 WeakPolarHBondContact O-CG 3.46Å; M78-M330 HydrophobicContact CB-CE 3.52Å; M78-M330 HydrophobicContact CB-SD 4.46Å; M78-M330 HydrophobicContact CG-CE 4.03Å; F159-M330 VanDerWaalsContact O-CG 3.25Å; F159-M330 WeakPolarHBondContact O-CG 3.38Å; S162-M330 PolarHBondContact N-SD 3.21Å; S162-M330 VanDerWaalsContact N-SD 3.45Å; Y328-M330 PolarHBondContact O-N 3.12Å; M330-G332 PolarHBondContact O-N 2.71Å; M330-I333 PolarHBondContact O-N 2.88Å; M330-Y334 PolarHBondContact O-N 2.98Å
331	Y	97.8	Very high	97	Very high	33 Å²	33	33.6 Å²	33.6	13%	0.129	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-32.4	-176.5	-174.3	-107.1	0	0	0	112.5	F156 P158 L161 W166 I333 Y334 E335	F156-Y331 AromaticContact CE2-CD1 3.83Å; F156-Y331 HydrophobicContact CE2-CD1 3.83Å; F156-Y331 HydrophobicContact CE2-CG 4.49Å; F156-Y331 AromaticContact CZ-CD1 3.72Å; F156-Y331 HydrophobicContact CZ-CD1 3.72Å; F156-Y331 AromaticContact CZ-CE1 3.95Å; F156-Y331 HydrophobicContact CZ-CE1 3.95Å; P158-Y331 HydrophobicContact CB-CD1 3.89Å; P158-Y331 CarbonylContact O-C 3.42Å; P158-Y331 PolarHBondContact O-N 2.63Å; L161-Y331 WeakPolarHBondContact O-CB 3.43Å; L161-Y331 PolarHBondContact O-N 3.1Å; W166-Y331 HydrophobicContact CB-CD2 4.09Å; W166-Y331 HydrophobicContact CB-CG 4.16Å; W166-Y331 AromaticContact CD1-CD1 3.92Å; W166-Y331 AromaticContact CD1-CE1 4Å; W166-Y331 AromaticContact CD1-CG 3.97Å; W166-Y331 AromaticContact CD2-CD2 3.48Å; W166-Y331 HydrophobicContact CD2-CD2 3.48Å; W166-Y331 VanDerWaalsContact CD2-CD2 3.48Å; W166-Y331 HydrophobicContact CD2-CE1 4.36Å; W166-Y331 AromaticContact CD2-CE2 3.27Å; W166-Y331 HydrophobicContact CD2-CE2 3.27Å; W166-Y331 HydrophobicContact CD2-CG 4.13Å; W166-Y331 AromaticContact CD2-CZ 3.75Å; W166-Y331 AromaticContact CE2-CD2 3.99Å; W166-Y331 AromaticContact CE2-CE1 3.92Å; W166-Y331 AromaticContact CE2-CE2 3.37Å; W166-Y331 AromaticContact CE2-CZ 3.32Å; W166-Y331 AromaticContact CE3-CD2 3.73Å; W166-Y331 HydrophobicContact CE3-CD2 3.73Å; W166-Y331 AromaticContact CE3-CE2 3.44Å; W166-Y331 HydrophobicContact CE3-CE2 3.44Å; W166-Y331 VanDerWaalsContact CE3-CE2 3.44Å; W166-Y331 HydrophobicContact CG-CD1 4.21Å; W166-Y331 AromaticContact CG-CD2 3.61Å; W166-Y331 HydrophobicContact CG-CD2 3.61Å; W166-Y331 HydrophobicContact CG-CE1 4.42Å; W166-Y331 AromaticContact CG-CE2 3.86Å; W166-Y331 HydrophobicContact CG-CE2 3.86Å; W166-Y331 AromaticContact CG-CG 3.8Å; W166-Y331 HydrophobicContact CG-CG 3.8Å; W166-Y331 AromaticContact CH2-CE2 3.83Å; W166-Y331 HydrophobicContact CH2-CE2 3.83Å; W166-Y331 HydrophobicContact CZ2-CE1 4.43Å; W166-Y331 AromaticContact CZ2-CE2 3.67Å; W166-Y331 HydrophobicContact CZ2-CE2 3.67Å; W166-Y331 AromaticContact CZ2-CZ 3.51Å; W166-Y331 WeakPolarHBondContact CZ2-OH 3.49Å; W166-Y331 HydrophobicContact CZ3-CD2 4.43Å; W166-Y331 AromaticContact CZ3-CE2 3.72Å; W166-Y331 HydrophobicContact CZ3-CE2 3.72Å; W166-Y331 AromaticContact NE1-CE1 3.64Å; W166-Y331 AromaticContact NE1-CE2 3.9Å; W166-Y331 AromaticContact NE1-CZ 3.55Å; Y331-I333 PolarHBondContact O-N 2.65Å; Y331-Y334 AromaticContact CD2-CD1 3.75Å; Y331-Y334 HydrophobicContact CD2-CD1 3.75Å; Y331-Y334 HydrophobicContact CD2-CE1 4.45Å; Y331-Y334 AromaticContact CE2-CD1 3.75Å; Y331-Y334 HydrophobicContact CE2-CD1 3.75Å; Y331-Y334 HydrophobicContact CE2-CE1 4.14Å; Y331-Y334 PolarHBondContact O-N 3.03Å; Y331-Y334 VanDerWaalsContact O-N 3.09Å; Y331-E335 HydrophobicContact CD1-CB 4.08Å; Y331-E335 HydrophobicContact CE1-CB 3.62Å; Y331-E335 HydrophobicContact CE1-CG 4.34Å; Y331-E335 VanDerWaalsContact CE1-OE2 3.27Å; Y331-E335 WeakPolarHBondContact CE1-OE2 3.32Å; Y331-E335 HydrophobicContact CE2-CB 4.1Å; Y331-E335 WeakPolarHBondContact O-CB 3.34Å; Y331-E335 WeakPolarHBondContact O-CG 3.06Å; Y331-E335 PolarHBondContact O-N 2.79Å
332	G	96.8	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-24.6	-177.7	0	0	0	0	0	115	P158 R309 M330	P158-G332 PolarHBondContact O-N 2.95Å; R309-G332 PolarHBondContact NE-O 3.31Å; M330-G332 PolarHBondContact O-N 2.71Å
333	I	96.2	Very high	96.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-92	-39.2	171.2	-63.7	-58.9	0	0	0	110.9	F159 L238 Y265 V308 M330 Y331 V336 I337	F159-I333 HydrophobicContact CE1-CD1 3.8Å; F159-I333 HydrophobicContact CE1-CG1 3.93Å; F159-I333 HydrophobicContact CZ-CD1 4.31Å; L238-I333 HydrophobicContact CD2-CG2 3.38Å; L238-I333 HydrophobicContact CG-CG2 4.45Å; Y265-I333 HydrophobicContact CE1-CD1 4.38Å; Y265-I333 HydrophobicContact CE1-CG1 3.86Å; V308-I333 HydrophobicContact CG1-CD1 4.02Å; V308-I333 HydrophobicContact CG2-CD1 4.01Å; M330-I333 PolarHBondContact O-N 2.88Å; Y331-I333 PolarHBondContact O-N 2.65Å; I333-V336 VanDerWaalsContact O-CG2 3.23Å; I333-V336 WeakPolarHBondContact O-CG2 3.33Å; I333-I337 HydrophobicContact CG2-CD1 4.49Å
334	Y	97.2	Very high	96.8	Very high	26 Å²	26	32.7 Å²	32.7	10%	0.102	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-43.3	179.2	173.5	-90.7	0	0	0	112.5	I163 I324 M330 Y331 V336 I337 L342	I163-Y334 HydrophobicContact CD1-CD2 3.39Å; I163-Y334 HydrophobicContact CD1-CE2 4.03Å; I163-Y334 HydrophobicContact CD1-CG 3.88Å; I163-Y334 HydrophobicContact CG1-CD1 4.34Å; I163-Y334 HydrophobicContact CG1-CD2 3.71Å; I163-Y334 HydrophobicContact CG1-CE2 4.32Å; I163-Y334 HydrophobicContact CG1-CG 3.7Å; I163-Y334 HydrophobicContact CG2-CD2 4.5Å; I163-Y334 HydrophobicContact CG2-CE2 4.3Å; I324-Y334 HydrophobicContact CD1-CD2 3.94Å; M330-Y334 PolarHBondContact O-N 2.98Å; Y331-Y334 AromaticContact CD2-CD1 3.75Å; Y331-Y334 HydrophobicContact CD2-CD1 3.75Å; Y331-Y334 HydrophobicContact CD2-CE1 4.45Å; Y331-Y334 AromaticContact CE2-CD1 3.75Å; Y331-Y334 HydrophobicContact CE2-CD1 3.75Å; Y331-Y334 HydrophobicContact CE2-CE1 4.14Å; Y331-Y334 PolarHBondContact O-N 3.03Å; Y331-Y334 VanDerWaalsContact O-N 3.09Å; Y334-V336 PolarHBondContact O-N 3.04Å; Y334-V336 VanDerWaalsContact O-N 3.16Å; Y334-I337 PolarHBondContact O-N 2.92Å; Y334-I337 VanDerWaalsContact O-N 3.08Å; Y334-L342 HydrophobicContact CD2-CD1 3.86Å; Y334-L342 HydrophobicContact CE2-CD1 3.37Å
335	E	96.3	Very high	96.8	Very high	52 Å²	52	35.7 Å²	35.7	24%	0.243	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.7	-172.7	73	178.1	173.8	0	0	113.4	S182 R309 Y331	S182-E335 WeakPolarHBondContact CB-OE2 3.41Å; S182-E335 PolarHBondContact OG-OE2 2.82Å; R309-E335 IonicContact CZ-OE1 3.33Å; R309-E335 IonicContact NE-OE1 3.19Å; R309-E335 PolarHBondContact NE-OE1 2.86Å; R309-E335 IonicContact NH2-OE1 3.49Å; R309-E335 PolarHBondContact NH2-OE1 3.37Å; Y331-E335 HydrophobicContact CD1-CB 4.08Å; Y331-E335 HydrophobicContact CE1-CB 3.62Å; Y331-E335 HydrophobicContact CE1-CG 4.34Å; Y331-E335 VanDerWaalsContact CE1-OE2 3.27Å; Y331-E335 WeakPolarHBondContact CE1-OE2 3.32Å; Y331-E335 HydrophobicContact CE2-CB 4.1Å; Y331-E335 WeakPolarHBondContact O-CB 3.34Å; Y331-E335 WeakPolarHBondContact O-CG 3.06Å; Y331-E335 PolarHBondContact O-N 2.79Å
336	V	96.9	Very high	96.6	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.097	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-4.8	-179.4	-58.9	0	0	0	0	113.4	R309 I312 Q313 I333 Y334	R309-V336 HydrophobicContact CG-CG1 3.9Å; R309-V336 HydrophobicContact CG-CG2 4.29Å; I312-V336 HydrophobicContact CG2-CG2 4.26Å; Q313-V336 HydrophobicContact CB-CB 4.08Å; Q313-V336 HydrophobicContact CB-CG2 4.35Å; Q313-V336 HydrophobicContact CG-CB 4.27Å; I333-V336 VanDerWaalsContact O-CG2 3.23Å; I333-V336 WeakPolarHBondContact O-CG2 3.33Å; Y334-V336 PolarHBondContact O-N 3.04Å; Y334-V336 VanDerWaalsContact O-N 3.16Å
337	I	98	Very high	96.7	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.036	19%	0.194	C	C	.	.	S	Bend	trans	-100.3	120.4	177.9	-53.5	170	0	0	0	108.8	L238 I312 I322 I333 Y334 K339 K341 L342	L238-I337 HydrophobicContact CD2-CD1 4.06Å; I312-I337 HydrophobicContact CG2-CD1 3.91Å; I312-I337 HydrophobicContact CG2-CG1 3.71Å; I322-I337 HydrophobicContact CD1-CD1 4.28Å; I322-I337 HydrophobicContact CD1-CG1 4.34Å; I322-I337 HydrophobicContact CD1-CG2 3.98Å; I322-I337 HydrophobicContact CG2-CD1 4.35Å; I333-I337 HydrophobicContact CG2-CD1 4.49Å; Y334-I337 PolarHBondContact O-N 2.92Å; Y334-I337 VanDerWaalsContact O-N 3.08Å; I337-K339 PolarHBondContact O-N 2.91Å; I337-K341 HydrophobicContact CG2-CB 4.14Å; I337-L342 HydrophobicContact CB-CD2 3.95Å; I337-L342 HydrophobicContact CB-CG 4.31Å; I337-L342 HydrophobicContact CD1-CD2 4.02Å; I337-L342 HydrophobicContact CG2-CD2 3.56Å; I337-L342 HydrophobicContact CG2-CG 3.78Å
338	P	97.7	Very high	96.9	Very high	46 Å²	46	37.3 Å²	37.3	30%	0.299	19%	0.185	S	C	.	.			trans	-58.2	139	175.9	-23	33.6	0	0	0	111.7	E340 K341	P338-E340 HydrophobicContact CB-CG 4.46Å; P338-E340 WeakPolarHBondContact CB-OE1 3.38Å; P338-E340 PolarHBondContact O-N 3Å; P338-E340 VanDerWaalsContact O-N 3.15Å; P338-K341 HydrophobicContact CB-CG 3.99Å; P338-K341 HydrophobicContact CG-CG 4.2Å; P338-K341 WeakPolarHBondContact O-CA 3.44Å; P338-K341 WeakPolarHBondContact O-CB 3.34Å; P338-K341 PolarHBondContact O-N 2.84Å
339	K	96.3	Very high	97.1	Very high	155 Å²	155	36.5 Å²	36.5	67%	0.674	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-57	-35.9	-172.9	-70.8	-171.5	175.9	-171.9	0	112.9	I337 K341 L342	I337-K339 PolarHBondContact O-N 2.91Å; K339-K341 PolarHBondContact O-N 3.42Å; K339-L342 PolarHBondContact O-N 3.46Å
340	E	97.2	Very high	97.2	Very high	150 Å²	150	36.4 Å²	36.4	70%	0.701	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-69.9	-16.1	177.9	66.9	-84.5	-163.4	0	0	114.1	P338	P338-E340 HydrophobicContact CB-CG 4.46Å; P338-E340 WeakPolarHBondContact CB-OE1 3.38Å; P338-E340 PolarHBondContact O-N 3Å; P338-E340 VanDerWaalsContact O-N 3.15Å
341	K	98.1	Very high	97.2	Very high	40 Å²	40	36.4 Å²	36.4	17%	0.174	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-92.1	-11.6	176.4	-57.4	-72.4	174.2	170.8	0	112.1	G318 D319 V320 R321 I322 I337 P338 K339	G318-K341 PolarHBondContact O-NZ 2.97Å; D319-K341 IonicContact OD1-NZ 3.88Å; V320-K341 HydrophobicContact CG2-CD 4.35Å; V320-K341 WeakPolarHBondContact O-CD 3.22Å; R321-K341 CarbonylContact C-O 3.51Å; R321-K341 VanDerWaalsContact CA-O 3.3Å; R321-K341 WeakPolarHBondContact CA-O 3.19Å; I322-K341 PolarHBondContact N-O 3.08Å; I337-K341 HydrophobicContact CG2-CB 4.14Å; P338-K341 HydrophobicContact CB-CG 3.99Å; P338-K341 HydrophobicContact CG-CG 4.2Å; P338-K341 WeakPolarHBondContact O-CA 3.44Å; P338-K341 WeakPolarHBondContact O-CB 3.34Å; P338-K341 PolarHBondContact O-N 2.84Å; K339-K341 PolarHBondContact O-N 3.42Å
342	L	97.9	Very high	97.2	Very high	23 Å²	23	38.4 Å²	38.4	12%	0.12	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.9	-176.6	-72.7	171.1	0	0	0	112.4	I324 Y334 I337 K339 T344	I324-L342 HydrophobicContact CD1-CD2 3.79Å; I324-L342 HydrophobicContact CG1-CD2 4.21Å; Y334-L342 HydrophobicContact CD2-CD1 3.86Å; Y334-L342 HydrophobicContact CE2-CD1 3.37Å; I337-L342 HydrophobicContact CB-CD2 3.95Å; I337-L342 HydrophobicContact CB-CG 4.31Å; I337-L342 HydrophobicContact CD1-CD2 4.02Å; I337-L342 HydrophobicContact CG2-CD2 3.56Å; I337-L342 HydrophobicContact CG2-CG 3.78Å; K339-L342 PolarHBondContact O-N 3.46Å; L342-T344 HydrophobicContact CB-CG2 4.24Å
343	V	98.3	Very high	97.2	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.5	162.1	173.3	0	0	0	0	106	H230 K232 P234 R321 I322 W323 I324	H230-V343 VanDerWaalsContact CE1-CG1 3.46Å; H230-V343 WeakPolarHBondContact CE1-CG1 3.36Å; K232-V343 HydrophobicContact CB-CG1 4.19Å; K232-V343 HydrophobicContact CB-CG2 3.9Å; K232-V343 HydrophobicContact CD-CG1 4.14Å; K232-V343 HydrophobicContact CD-CG2 4.25Å; P234-V343 HydrophobicContact CB-CB 4.39Å; P234-V343 HydrophobicContact CB-CG1 4.45Å; P234-V343 HydrophobicContact CB-CG2 4.26Å; R321-V343 HydrophobicContact CB-CG2 4.02Å; I322-V343 PolarHBondContact O-N 3.2Å; W323-V343 CarbonylContact C-O 3.58Å; W323-V343 WeakPolarHBondContact CA-O 3.41Å; W323-V343 HydrophobicContact CB-CB 4.23Å; W323-V343 HydrophobicContact CB-CG1 4.24Å; W323-V343 HydrophobicContact CG-CB 4.46Å; W323-V343 HydrophobicContact CG-CG1 3.99Å; I324-V343 PolarHBondContact N-O 2.78Å
344	T	96.9	Very high	97.3	Very high	58 Å²	58	40.9 Å²	40.9	36%	0.356	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.1	-175	52.3	0	0	0	0	110.9	I324 T326 L342	I324-T344 HydrophobicContact CD1-CG2 4.18Å; I324-T344 HydrophobicContact CG1-CG2 3.95Å; T326-T344 HydrophobicContact CG2-CG2 3.77Å; L342-T344 HydrophobicContact CB-CG2 4.24Å
345	D	96.5	Very high	97.3	Very high	64 Å²	64	39.7 Å²	39.7	34%	0.342	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	166	159.1	-74.4	-38.9	0	0	0	108.2	H230 W323 I324 G325 T326 Y347	H230-D345 IonicContact CD2-OD2 3.78Å; H230-D345 IonicContact NE2-OD2 3.98Å; W323-D345 VanDerWaalsContact CE2-OD2 3.29Å; W323-D345 WeakPolarHBondContact CZ2-OD2 3.31Å; W323-D345 PolarHBondContact NE1-OD2 2.95Å; I324-D345 PolarHBondContact O-N 2.89Å; G325-D345 CarbonylContact C-O 3.59Å; G325-D345 WeakPolarHBondContact CA-O 3.48Å; T326-D345 PolarHBondContact N-O 3.2Å; T326-D345 PolarHBondContact OG1-O 3.17Å; D345-Y347 VanDerWaalsContact C-N 3.28Å; D345-Y347 PolarHBondContact O-N 2.94Å
346	T	94.8	Very high	97.4	Very high	73 Å²	73	40 Å²	40	45%	0.448	21%	0.209	S	C	.	.	S	Bend	trans	-57.1	-43.9	176.1	-52.3	0	0	0	0	111.5	G325 T326 S327	G325-T346 CarbonylContact C-O 3.58Å; T326-T346 PolarHBondContact N-O 2.73Å; S327-T346 WeakPolarHBondContact CB-O 3.38Å; S327-T346 PolarHBondContact N-O 2.91Å; S327-T346 VanDerWaalsContact N-O 3.11Å; S327-T346 WeakPolarHBondContact OG-CG2 3.13Å; S327-T346 PolarHBondContact OG-O 3.43Å
347	Y	96.5	Very high	97.5	Very high	13 Å²	13	39.5 Å²	39.5	5%	0.051	21%	0.206	C	C	.	.	S	Bend	trans	-130	147	-178.4	-59	-69.6	0	0	0	110.5	Y328 D345 M351 M352 P536 N542 I544	Y328-Y347 HydrophobicContact CD1-CD1 4.39Å; Y328-Y347 HydrophobicContact CE1-CD1 4.05Å; D345-Y347 VanDerWaalsContact C-N 3.28Å; D345-Y347 PolarHBondContact O-N 2.94Å; Y347-M351 HydrophobicContact CD1-CG 3.93Å; Y347-M351 HydrophobicContact CG-CG 4.24Å; Y347-M352 HydrophobicContact CD2-SD 4.26Å; Y347-M352 HydrophobicContact CG-SD 4.48Å; Y347-P536 HydrophobicContact CD1-CB 3.89Å; Y347-P536 HydrophobicContact CD1-CG 4.33Å; Y347-P536 HydrophobicContact CD2-CB 3.61Å; Y347-P536 HydrophobicContact CD2-CG 3.86Å; Y347-P536 HydrophobicContact CE1-CB 3.6Å; Y347-P536 HydrophobicContact CE2-CB 3.27Å; Y347-P536 HydrophobicContact CE2-CG 4.04Å; Y347-P536 HydrophobicContact CG-CB 3.91Å; Y347-P536 HydrophobicContact CG-CG 4.02Å; Y347-N542 PolarHBondContact OH-O 3.45Å; Y347-I544 HydrophobicContact CD2-CG2 3.98Å; Y347-I544 HydrophobicContact CE2-CG2 3.98Å
348	S	97.4	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.			trans	-70	164.3	177.3	109.3	0	0	0	0	112	L239 E244 Y328 V350 M351 M352	L239-S348 WeakPolarHBondContact CD2-OG 3.36Å; E244-S348 WeakPolarHBondContact OE1-CB 3.48Å; E244-S348 PolarHBondContact OE1-OG 3.3Å; Y328-S348 VanDerWaalsContact OH-CB 3.32Å; Y328-S348 WeakPolarHBondContact OH-CB 3.45Å; Y328-S348 PolarHBondContact OH-N 2.77Å; S348-V350 PolarHBondContact O-N 3.32Å; S348-V350 PolarHBondContact OG-N 3.04Å; S348-M351 PolarHBondContact O-N 3.37Å; S348-M352 WeakPolarHBondContact O-CG 3.44Å; S348-M352 PolarHBondContact O-N 3.48Å; S348-M352 VanDerWaalsContact O-N 3.1Å
349	P	98	Very high	97.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.013	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-27.8	173.8	25.4	-35.5	0	0	0	113.1	V223 Q226 V237 W323 T353	V223-P349 HydrophobicContact CG1-CB 4.44Å; V223-P349 HydrophobicContact CG1-CG 3.91Å; Q226-P349 HydrophobicContact CB-CB 4.35Å; Q226-P349 VanDerWaalsContact OE1-CB 3.29Å; V237-P349 HydrophobicContact CG1-CG 4.08Å; V237-P349 HydrophobicContact CG2-CG 3.96Å; W323-P349 HydrophobicContact CD2-CG 4.28Å; W323-P349 HydrophobicContact CE3-CG 3.79Å; W323-P349 HydrophobicContact CH2-CB 3.64Å; W323-P349 HydrophobicContact CH2-CG 3.77Å; W323-P349 HydrophobicContact CZ2-CB 4.3Å; W323-P349 HydrophobicContact CZ2-CG 4.26Å; W323-P349 HydrophobicContact CZ3-CB 3.78Å; W323-P349 HydrophobicContact CZ3-CG 3.52Å; P349-T353 VanDerWaalsContact O-CB 3.29Å; P349-T353 WeakPolarHBondContact O-CB 3.42Å; P349-T353 PolarHBondContact O-N 2.98Å; P349-T353 PolarHBondContact O-OG1 2.81Å
350	V	98.4	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.2	-50.7	178.5	175.1	0	0	0	0	110.4	V223 L239 E244 W247 L248 S348 M352 T353 K354	V223-V350 HydrophobicContact CG1-CG2 4.47Å; V223-V350 HydrophobicContact CG2-CG2 3.62Å; L239-V350 HydrophobicContact CD1-CB 4.43Å; L239-V350 HydrophobicContact CD1-CG2 3.9Å; L239-V350 HydrophobicContact CD2-CB 4.05Å; L239-V350 HydrophobicContact CD2-CG2 3.88Å; E244-V350 HydrophobicContact CB-CB 4.21Å; E244-V350 HydrophobicContact CB-CG1 3.65Å; E244-V350 HydrophobicContact CG-CB 4.36Å; E244-V350 HydrophobicContact CG-CG1 4.03Å; W247-V350 HydrophobicContact CE3-CG1 3.68Å; W247-V350 HydrophobicContact CZ3-CG1 4.09Å; L248-V350 HydrophobicContact CD1-CG2 4.39Å; S348-V350 PolarHBondContact O-N 3.32Å; S348-V350 PolarHBondContact OG-N 3.04Å; V350-M352 VanDerWaalsContact C-N 3.29Å; V350-M352 PolarHBondContact O-N 3.28Å; V350-T353 PolarHBondContact O-N 3.38Å; V350-T353 VanDerWaalsContact O-N 3.09Å; V350-K354 WeakPolarHBondContact O-CG 3.4Å; V350-K354 PolarHBondContact O-N 2.95Å
351	M	97.7	Very high	97.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-50.2	-48.4	173.4	-168.5	65.2	73.9	0	0	112.1	A241 E243 E244 Y328 Y347 S348 T353 K354 A355 W535 P536	A241-M351 HydrophobicContact CB-CE 3.97Å; E243-M351 VanDerWaalsContact OE1-CE 3.25Å; E243-M351 WeakPolarHBondContact OE1-CE 3.31Å; E244-M351 HydrophobicContact CG-CE 3.85Å; E244-M351 VanDerWaalsContact OE1-CB 3.31Å; E244-M351 WeakPolarHBondContact OE1-CB 3.38Å; E244-M351 PolarHBondContact OE1-N 2.81Å; Y328-M351 HydrophobicContact CD1-CE 4.09Å; Y328-M351 HydrophobicContact CE1-CE 3.61Å; Y328-M351 HydrophobicContact CE2-CE 4.42Å; Y347-M351 HydrophobicContact CD1-CG 3.93Å; Y347-M351 HydrophobicContact CG-CG 4.24Å; S348-M351 PolarHBondContact O-N 3.37Å; M351-T353 PolarHBondContact O-N 3.36Å; M351-K354 WeakPolarHBondContact O-CG 3.32Å; M351-K354 WeakPolarHBondContact SD-CE 3.36Å; M351-K354 PolarHBondContact SD-NZ 3.02Å; M351-K354 VanDerWaalsContact SD-NZ 3.37Å; M351-A355 PolarHBondContact O-N 3.11Å; M351-W535 HydrophobicContact SD-CB 4.3Å; M351-P536 HydrophobicContact CG-CG 4.31Å
352	M	97.8	Very high	97.7	Very high	75 Å²	75	33.4 Å²	33.4	37%	0.369	19%	0.187	S	C	.	.	H	α-helix	trans	-65.8	-38.6	178.7	-67.7	-60.7	-63.1	0	0	112.8	Y347 S348 V350 P536 I544	Y347-M352 HydrophobicContact CD2-SD 4.26Å; Y347-M352 HydrophobicContact CG-SD 4.48Å; S348-M352 WeakPolarHBondContact O-CG 3.44Å; S348-M352 PolarHBondContact O-N 3.48Å; S348-M352 VanDerWaalsContact O-N 3.1Å; V350-M352 VanDerWaalsContact C-N 3.29Å; V350-M352 PolarHBondContact O-N 3.28Å; M352-P536 HydrophobicContact SD-CG 3.98Å; M352-I544 HydrophobicContact CE-CD1 3.57Å; M352-I544 HydrophobicContact CE-CG2 4.08Å; M352-I544 HydrophobicContact SD-CD1 3.95Å; M352-I544 HydrophobicContact SD-CG2 3.93Å
353	T	97.9	Very high	97.7	Very high	51 Å²	51	35.2 Å²	35.2	31%	0.313	21%	0.205	S	C	.	.	H	α-helix	trans	-72.5	-45	-178.2	-56	0	0	0	0	111.4	Q226 W247 P349 V350 M351 A355 V356	Q226-T353 PolarHBondContact NE2-OG1 3.13Å; W247-T353 HydrophobicContact CH2-CG2 3.65Å; W247-T353 HydrophobicContact CZ2-CG2 4.22Å; P349-T353 VanDerWaalsContact O-CB 3.29Å; P349-T353 WeakPolarHBondContact O-CB 3.42Å; P349-T353 PolarHBondContact O-N 2.98Å; P349-T353 PolarHBondContact O-OG1 2.81Å; V350-T353 PolarHBondContact O-N 3.38Å; V350-T353 VanDerWaalsContact O-N 3.09Å; M351-T353 PolarHBondContact O-N 3.36Å; T353-A355 VanDerWaalsContact C-N 3.27Å; T353-A355 PolarHBondContact O-N 3.05Å; T353-V356 PolarHBondContact O-N 3.25Å
354	K	97.8	Very high	97.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-67.3	-27.8	-177.7	73.7	176.2	-179.9	67	0	113.4	E243 W247 V350 M351 V356 E534 W535	E243-K354 VanDerWaalsContact CD-CE 3.44Å; E243-K354 WeakPolarHBondContact OE1-CE 3.38Å; E243-K354 IonicContact OE1-NZ 2.78Å; E243-K354 PolarHBondContact OE1-NZ 3.11Å; E243-K354 IonicContact OE2-NZ 2.63Å; E243-K354 PolarHBondContact OE2-NZ 3.28Å; E243-K354 VanDerWaalsContact OE2-NZ 3.11Å; W247-K354 HydrophobicContact CB-CD 4.26Å; W247-K354 HydrophobicContact CD2-CB 3.69Å; W247-K354 HydrophobicContact CE3-CB 4.32Å; W247-K354 HydrophobicContact CG-CB 3.78Å; W247-K354 HydrophobicContact CG-CD 4.35Å; W247-K354 HydrophobicContact CZ2-CB 4.2Å; V350-K354 WeakPolarHBondContact O-CG 3.4Å; V350-K354 PolarHBondContact O-N 2.95Å; M351-K354 WeakPolarHBondContact O-CG 3.32Å; M351-K354 WeakPolarHBondContact SD-CE 3.36Å; M351-K354 PolarHBondContact SD-NZ 3.02Å; M351-K354 VanDerWaalsContact SD-NZ 3.37Å; K354-V356 PolarHBondContact O-N 2.04Å; K354-E534 VanDerWaalsContact NZ-CD 3.31Å; K354-E534 IonicContact NZ-OE2 3.55Å; K354-E534 PolarHBondContact NZ-OE2 3.48Å; K354-W535 PolarHBondContact NZ-O 3.02Å
355	A	97.9	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.6	177.1	0	0	0	0	0	112.7	M351 T353 K357 V537 M550	M351-A355 PolarHBondContact O-N 3.11Å; T353-A355 VanDerWaalsContact C-N 3.27Å; T353-A355 PolarHBondContact O-N 3.05Å; A355-K357 WeakPolarHBondContact O-CD 3.38Å; A355-K357 PolarHBondContact O-NZ 2.84Å; A355-V537 HydrophobicContact CB-CG2 3.85Å; A355-M550 HydrophobicContact CB-CE 4.37Å; A355-M550 WeakPolarHBondContact O-CG 3.4Å
356	V	98.3	Very high	97.9	Very high	60 Å²	60	33.1 Å²	33.1	36%	0.364	19%	0.189	S	C	.	.	S	Bend	trans	-101.7	104.9	178.6	-178.8	0	0	0	0	110	T353 K354 A547 K548 M550	T353-V356 PolarHBondContact O-N 3.25Å; K354-V356 PolarHBondContact O-N 2.04Å; V356-A547 HydrophobicContact CG2-CB 4.38Å; V356-K548 VanDerWaalsContact CG1-O 3.29Å; V356-K548 WeakPolarHBondContact CG1-O 3.41Å; V356-M550 HydrophobicContact CG2-CE 3.86Å; V356-M550 HydrophobicContact CG2-CG 4.11Å
357	K	98.4	Very high	98	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.022	19%	0.186	C	C	.	.			trans	-75	133.7	-174.5	-75.3	66.9	178.7	-167.1	0	109.5	A355 E361 Q362 L365 I526 E534 G549 F551	A355-K357 WeakPolarHBondContact O-CD 3.38Å; A355-K357 PolarHBondContact O-NZ 2.84Å; K357-E361 WeakPolarHBondContact CA-OE2 3.23Å; K357-E361 HydrophobicContact CB-CB 3.85Å; K357-E361 HydrophobicContact CG-CB 4.08Å; K357-Q362 HydrophobicContact CB-CG 3.94Å; K357-Q362 PolarHBondContact O-NE2 3.07Å; K357-L365 HydrophobicContact CG-CD1 3.97Å; K357-I526 WeakPolarHBondContact CE-O 3.2Å; K357-I526 PolarHBondContact NZ-O 2.83Å; K357-E534 WeakPolarHBondContact CE-OE1 3.31Å; K357-E534 IonicContact NZ-OE1 3.53Å; K357-E534 PolarHBondContact NZ-OE1 3.01Å; K357-G549 WeakPolarHBondContact CB-O 3.29Å; K357-G549 PolarHBondContact N-O 2.74Å; K357-F551 HydrophobicContact CB-CD2 4.34Å; K357-F551 HydrophobicContact CB-CE2 4.25Å; K357-F551 HydrophobicContact CD-CD2 4.1Å; K357-F551 HydrophobicContact CG-CD2 4.12Å; K357-F551 HydrophobicContact CG-CE2 4.35Å
358	N	97.9	Very high	98.1	Very high	44 Å²	44	31.2 Å²	31.2	24%	0.235	18%	0.183	C	C	.	.			trans	-71	171.5	172	64.8	58.8	0	0	0	111	G213 K360 E361 Q362	G213-N358 WeakPolarHBondContact CA-ND2 3.38Å; N358-K360 PolarHBondContact O-N 3.05Å; N358-K360 VanDerWaalsContact O-N 3.17Å; N358-K360 WeakPolarHBondContact OD1-CB 3.47Å; N358-K360 PolarHBondContact OD1-N 3.16Å; N358-E361 PolarHBondContact N-OE2 2.78Å; N358-E361 VanDerWaalsContact ND2-CD 3.27Å; N358-E361 PolarHBondContact ND2-OE2 2.92Å; N358-E361 PolarHBondContact O-N 2.68Å; N358-E361 PolarHBondContact OD1-N 3.13Å; N358-Q362 WeakPolarHBondContact O-CG 3.49Å; N358-Q362 PolarHBondContact O-N 3.44Å
359	S	98	Very high	98.2	Very high	98 Å²	98	31.4 Å²	31.4	69%	0.685	19%	0.185	S	C	*	.	H	α-helix	trans	-59.3	-31.1	-175	55.1	0	0	0	0	114.1	A363	S359-A363 PolarHBondContact O-N 3.01Å; S359-A363 VanDerWaalsContact O-N 3.15Å
360	K	98.1	Very high	98.2	Very high	74 Å²	74	32.7 Å²	32.7	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-74.7	-45.9	177.6	-177.8	170.5	173.8	-163.5	0	110.8	E209 A210 T212 N358 Q362 A363 L364	E209-K360 PolarHBondContact O-NZ 2.64Å; A210-K360 WeakPolarHBondContact O-CE 3.29Å; T212-K360 VanDerWaalsContact O-CD 3.29Å; T212-K360 WeakPolarHBondContact O-CD 3.37Å; T212-K360 WeakPolarHBondContact O-CE 3.44Å; T212-K360 PolarHBondContact O-NZ 3.24Å; N358-K360 PolarHBondContact O-N 3.05Å; N358-K360 VanDerWaalsContact O-N 3.17Å; N358-K360 WeakPolarHBondContact OD1-CB 3.47Å; N358-K360 PolarHBondContact OD1-N 3.16Å; K360-Q362 VanDerWaalsContact C-N 3.3Å; K360-Q362 PolarHBondContact O-N 2.75Å; K360-A363 PolarHBondContact O-N 3.25Å; K360-A363 VanDerWaalsContact O-N 3.15Å; K360-L364 HydrophobicContact CG-CD1 4.15Å; K360-L364 VanDerWaalsContact O-CG 3.28Å; K360-L364 WeakPolarHBondContact O-CG 3.37Å; K360-L364 PolarHBondContact O-N 3.15Å
361	E	98.3	Very high	98.1	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-40.4	173.9	-66.3	170.8	147.1	0	0	111.7	K357 N358 A363 L364 L365 N528	K357-E361 WeakPolarHBondContact CA-OE2 3.23Å; K357-E361 HydrophobicContact CB-CB 3.85Å; K357-E361 HydrophobicContact CG-CB 4.08Å; N358-E361 PolarHBondContact N-OE2 2.78Å; N358-E361 VanDerWaalsContact ND2-CD 3.27Å; N358-E361 PolarHBondContact ND2-OE2 2.92Å; N358-E361 PolarHBondContact O-N 2.68Å; N358-E361 PolarHBondContact OD1-N 3.13Å; E361-A363 VanDerWaalsContact C-N 3.35Å; E361-A363 PolarHBondContact O-N 2.87Å; E361-L364 PolarHBondContact O-N 2.81Å; E361-L365 WeakPolarHBondContact O-CB 3.44Å; E361-L365 PolarHBondContact O-N 3.37Å; E361-N528 WeakPolarHBondContact CG-ND2 3.21Å
362	Q	98.7	Very high	98.2	Very high	45 Å²	45	33.8 Å²	33.8	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-41.7	174.1	-70.1	173.4	33.2	0	0	112.4	K357 N358 K360 K366 F551 L573	K357-Q362 HydrophobicContact CB-CG 3.94Å; K357-Q362 PolarHBondContact O-NE2 3.07Å; N358-Q362 WeakPolarHBondContact O-CG 3.49Å; N358-Q362 PolarHBondContact O-N 3.44Å; K360-Q362 VanDerWaalsContact C-N 3.3Å; K360-Q362 PolarHBondContact O-N 2.75Å; Q362-K366 WeakPolarHBondContact O-CB 3.41Å; Q362-K366 VanDerWaalsContact O-CG 3.22Å; Q362-K366 WeakPolarHBondContact O-CG 3.44Å; Q362-K366 PolarHBondContact O-N 3.33Å; Q362-K366 VanDerWaalsContact O-N 3.07Å; Q362-F551 HydrophobicContact CB-CE2 4.2Å; Q362-F551 HydrophobicContact CB-CZ 4.37Å; Q362-F551 HydrophobicContact CG-CE2 3.83Å; Q362-F551 HydrophobicContact CG-CZ 4.43Å; Q362-L573 HydrophobicContact CG-CD1 4.16Å; Q362-L573 HydrophobicContact CG-CD2 4.32Å
363	A	98.6	Very high	98.2	Very high	61 Å²	61	30.3 Å²	30.3	50%	0.504	18%	0.18	S	C	.	.	H	α-helix	trans	-68.4	-40.6	178.8	0	0	0	0	0	112	S359 K360 E361 K366 A367	S359-A363 PolarHBondContact O-N 3.01Å; S359-A363 VanDerWaalsContact O-N 3.15Å; K360-A363 PolarHBondContact O-N 3.25Å; K360-A363 VanDerWaalsContact O-N 3.15Å; E361-A363 VanDerWaalsContact C-N 3.35Å; E361-A363 PolarHBondContact O-N 2.87Å; A363-K366 PolarHBondContact O-N 3.39Å; A363-A367 PolarHBondContact O-N 3.19Å; A363-A367 VanDerWaalsContact O-N 3.08Å
364	L	98.1	Very high	98.3	Very high	28 Å²	28	27.9 Å²	27.9	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-52.5	176.3	-71.1	172.9	0	0	0	110.9	K360 E361 K366 A367 S368 D457	K360-L364 HydrophobicContact CG-CD1 4.15Å; K360-L364 VanDerWaalsContact O-CG 3.28Å; K360-L364 WeakPolarHBondContact O-CG 3.37Å; K360-L364 PolarHBondContact O-N 3.15Å; E361-L364 PolarHBondContact O-N 2.81Å; L364-K366 VanDerWaalsContact C-N 3.32Å; L364-K366 PolarHBondContact O-N 2.83Å; L364-A367 WeakPolarHBondContact O-CA 3.5Å; L364-A367 WeakPolarHBondContact O-CB 3.2Å; L364-A367 PolarHBondContact O-N 3.22Å; L364-S368 PolarHBondContact O-N 3.01Å; L364-D457 CarbonylContact C-O 3.25Å; L364-D457 HydrophobicContact CB-CB 3.92Å; L364-D457 VanDerWaalsContact CB-O 3.3Å; L364-D457 WeakPolarHBondContact CB-O 2.94Å; L364-D457 HydrophobicContact CD2-CB 3.72Å; L364-D457 HydrophobicContact CG-CB 4.31Å; L364-D457 VanDerWaalsContact O-O 3.1Å
365	L	98	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-41.7	176.8	-85.1	165.1	0	0	0	112.3	K357 E361 A367 S368 H369 D457 N528 F551	K357-L365 HydrophobicContact CG-CD1 3.97Å; E361-L365 WeakPolarHBondContact O-CB 3.44Å; E361-L365 PolarHBondContact O-N 3.37Å; L365-A367 VanDerWaalsContact C-N 3.28Å; L365-A367 PolarHBondContact O-N 3.41Å; L365-S368 PolarHBondContact O-N 2.99Å; L365-S368 PolarHBondContact O-OG 3.35Å; L365-H369 PolarHBondContact O-N 3.32Å; L365-H369 PolarHBondContact O-ND1 2.99Å; L365-D457 PolarHBondContact N-O 2.94Å; L365-N528 HydrophobicContact CD1-CB 3.99Å; L365-N528 HydrophobicContact CG-CB 4.21Å; L365-F551 HydrophobicContact CB-CE1 3.93Å; L365-F551 HydrophobicContact CB-CE2 4.21Å; L365-F551 HydrophobicContact CB-CZ 3.7Å; L365-F551 HydrophobicContact CD1-CD1 4.37Å; L365-F551 HydrophobicContact CD1-CD2 3.7Å; L365-F551 HydrophobicContact CD1-CE1 4.32Å; L365-F551 HydrophobicContact CD1-CE2 3.6Å; L365-F551 HydrophobicContact CD1-CG 4.08Å; L365-F551 HydrophobicContact CD1-CZ 3.95Å; L365-F551 HydrophobicContact CG-CZ 4.48Å
366	K	98.6	Very high	98.4	Very high	54 Å²	54	27.9 Å²	27.9	24%	0.235	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-36.8	175.8	-75.9	176.3	-177.3	-164.8	0	112.3	Q362 A363 L364 V370 L573 E589 V591	Q362-K366 WeakPolarHBondContact O-CB 3.41Å; Q362-K366 VanDerWaalsContact O-CG 3.22Å; Q362-K366 WeakPolarHBondContact O-CG 3.44Å; Q362-K366 PolarHBondContact O-N 3.33Å; Q362-K366 VanDerWaalsContact O-N 3.07Å; A363-K366 PolarHBondContact O-N 3.39Å; L364-K366 VanDerWaalsContact C-N 3.32Å; L364-K366 PolarHBondContact O-N 2.83Å; K366-V370 PolarHBondContact O-N 3.04Å; K366-L573 VanDerWaalsContact CE-CD2 3.48Å; K366-E589 IonicContact NZ-OE1 3.76Å; K366-E589 PolarHBondContact NZ-OE1 2.68Å; K366-E589 IonicContact NZ-OE2 3.58Å; K366-E589 PolarHBondContact NZ-OE2 3.26Å; K366-V591 HydrophobicContact CD-CG1 4.46Å; K366-V591 HydrophobicContact CG-CG1 3.76Å
367	A	97.9	Very high	98.4	Very high	45 Å²	45	25 Å²	25	37%	0.372	15%	0.147	S	C	.	.	H	α-helix	trans	-69.7	-37.9	177.3	0	0	0	0	0	112	A363 L364 L365 H369 V370 R371	A363-A367 PolarHBondContact O-N 3.19Å; A363-A367 VanDerWaalsContact O-N 3.08Å; L364-A367 WeakPolarHBondContact O-CA 3.5Å; L364-A367 WeakPolarHBondContact O-CB 3.2Å; L364-A367 PolarHBondContact O-N 3.22Å; L365-A367 VanDerWaalsContact C-N 3.28Å; L365-A367 PolarHBondContact O-N 3.41Å; A367-H369 VanDerWaalsContact C-N 3.34Å; A367-H369 PolarHBondContact O-N 3.43Å; A367-V370 PolarHBondContact O-N 3.08Å; A367-R371 PolarHBondContact O-N 2.84Å
368	S	98.3	Very high	98.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-40.8	176	73.8	0	0	0	0	112.6	L364 L365 V370 R371 D372	L364-S368 PolarHBondContact O-N 3.01Å; L365-S368 PolarHBondContact O-N 2.99Å; L365-S368 PolarHBondContact O-OG 3.35Å; S368-V370 VanDerWaalsContact C-N 3.32Å; S368-V370 PolarHBondContact O-N 3.48Å; S368-R371 PolarHBondContact O-N 2.73Å; S368-D372 WeakPolarHBondContact O-CB 3.38Å; S368-D372 PolarHBondContact O-N 2.88Å
369	H	98.8	Very high	98.5	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.023	14%	0.141	C	C	.	.	H	α-helix	trans	-68.1	-29.2	178.4	-70.7	70.4	0	0	0	113.4	L365 A367 A373 T459 V571 V591	L365-H369 PolarHBondContact O-N 3.32Å; L365-H369 PolarHBondContact O-ND1 2.99Å; A367-H369 VanDerWaalsContact C-N 3.34Å; A367-H369 PolarHBondContact O-N 3.43Å; H369-A373 WeakPolarHBondContact O-CB 3.35Å; H369-A373 PolarHBondContact O-N 3.2Å; H369-T459 PolarHBondContact CE1-O 2.79Å; H369-T459 VanDerWaalsContact CE1-O 3.29Å; H369-V571 WeakPolarHBondContact NE2-CB 3.33Å; H369-V591 HydrophobicContact CB-CB 4.4Å; H369-V591 HydrophobicContact CB-CG2 4.43Å; H369-V591 WeakPolarHBondContact CB-O 3.39Å
370	V	98.5	Very high	98.5	Very high	29 Å²	29	20 Å²	20	18%	0.176	11%	0.111	C	C	.	.	H	α-helix	trans	-67.8	-42.3	172	174.8	0	0	0	0	110.9	K366 A367 S368 V374 F593 K624 E628	K366-V370 PolarHBondContact O-N 3.04Å; A367-V370 PolarHBondContact O-N 3.08Å; S368-V370 VanDerWaalsContact C-N 3.32Å; S368-V370 PolarHBondContact O-N 3.48Å; V370-V374 PolarHBondContact O-N 2.96Å; V370-F593 HydrophobicContact CG2-CD2 3.88Å; V370-F593 HydrophobicContact CG2-CE2 3.81Å; V370-K624 HydrophobicContact CG2-CB 4.48Å; V370-E628 HydrophobicContact CG1-CB 4.46Å
371	R	97.5	Very high	98.5	Very high	21 Å²	21	16.7 Å²	16.7	8%	0.079	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-45.3	175	-101.8	-178.8	-68.8	92.1	8.7	112	A367 S368 A373 V374 A375 Q409 D457	A367-R371 PolarHBondContact O-N 2.84Å; S368-R371 PolarHBondContact O-N 2.73Å; R371-A373 VanDerWaalsContact C-N 3.32Å; R371-A373 PolarHBondContact O-N 3.35Å; R371-V374 WeakPolarHBondContact O-CB 2.99Å; R371-V374 PolarHBondContact O-N 3.46Å; R371-V374 VanDerWaalsContact O-N 3.1Å; R371-A375 PolarHBondContact O-N 2.97Å; R371-Q409 PolarHBondContact NH1-O 2.66Å; R371-D457 IonicContact CZ-OD1 3.56Å; R371-D457 IonicContact CZ-OD2 3.56Å; R371-D457 IonicContact NH1-OD1 3.98Å; R371-D457 PolarHBondContact NH1-OD1 3.33Å; R371-D457 IonicContact NH2-OD1 2.9Å; R371-D457 PolarHBondContact NH2-OD1 3.36Å; R371-D457 IonicContact NH2-OD2 3.27Å; R371-D457 PolarHBondContact NH2-OD2 3.2Å
372	D	98.7	Very high	98.5	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.027	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-42.2	179.1	-165	91.9	0	0	0	111.5	S368 V374 A375 V376 R405 Y455 T460	S368-D372 WeakPolarHBondContact O-CB 3.38Å; S368-D372 PolarHBondContact O-N 2.88Å; D372-V374 PolarHBondContact O-N 3.28Å; D372-A375 WeakPolarHBondContact O-CB 2.99Å; D372-A375 PolarHBondContact O-N 2.82Å; D372-V376 WeakPolarHBondContact O-CG2 3.33Å; D372-V376 PolarHBondContact O-N 3.45Å; D372-R405 IonicContact OD1-CZ 2.72Å; D372-R405 IonicContact OD1-NE 3.56Å; D372-R405 PolarHBondContact OD1-NE 3.12Å; D372-R405 IonicContact OD1-NH2 3.58Å; D372-R405 IonicContact OD2-CZ 3.59Å; D372-R405 IonicContact OD2-NE 2.59Å; D372-R405 IonicContact OD2-NH2 3.48Å; D372-R405 PolarHBondContact OD2-NH2 2.98Å; D372-Y455 HydrophobicContact CB-CE2 4.26Å; D372-Y455 PolarHBondContact OD1-OH 3.22Å; D372-T460 HydrophobicContact CB-CG2 3.76Å; D372-T460 VanDerWaalsContact CG-OG1 3.27Å; D372-T460 PolarHBondContact OD1-OG1 2.65Å
373	A	98.8	Very high	98.5	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-56.4	-37.7	174.6	0	0	0	0	0	112.4	H369 R371 V376 I377 F593 V594 V625	H369-A373 WeakPolarHBondContact O-CB 3.35Å; H369-A373 PolarHBondContact O-N 3.2Å; R371-A373 VanDerWaalsContact C-N 3.32Å; R371-A373 PolarHBondContact O-N 3.35Å; A373-V376 PolarHBondContact O-N 3.02Å; A373-I377 WeakPolarHBondContact O-CB 3.48Å; A373-I377 VanDerWaalsContact O-CD1 3.29Å; A373-I377 WeakPolarHBondContact O-CD1 2.99Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 3.45Å; A373-F593 HydrophobicContact CB-CB 4.11Å; A373-V594 HydrophobicContact CB-CG2 4.08Å; A373-V625 HydrophobicContact CB-CG1 4.42Å; A373-V625 HydrophobicContact CB-CG2 3.91Å
374	V	98.8	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-45.4	174.9	173.6	0	0	0	0	111.3	V370 R371 D372 I377 R378 V625 E628 L629 L634	V370-V374 PolarHBondContact O-N 2.96Å; R371-V374 WeakPolarHBondContact O-CB 2.99Å; R371-V374 PolarHBondContact O-N 3.46Å; R371-V374 VanDerWaalsContact O-N 3.1Å; D372-V374 PolarHBondContact O-N 3.28Å; V374-I377 PolarHBondContact O-N 3.41Å; V374-R378 HydrophobicContact CG1-CG 4.48Å; V374-R378 VanDerWaalsContact O-CG 3.24Å; V374-R378 WeakPolarHBondContact O-CG 3.37Å; V374-R378 PolarHBondContact O-N 3.35Å; V374-V625 HydrophobicContact CG2-CG1 4Å; V374-E628 HydrophobicContact CG2-CB 4.38Å; V374-E628 HydrophobicContact CG2-CG 3.81Å; V374-L629 HydrophobicContact CB-CD2 4.28Å; V374-L629 HydrophobicContact CG1-CD2 3.74Å; V374-L629 HydrophobicContact CG2-CD2 3.94Å; V374-L629 HydrophobicContact CG2-CG 4.44Å; V374-L634 HydrophobicContact CG1-CD1 3.66Å
375	A	98.7	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-45	177.9	0	0	0	0	0	111.8	R371 D372 R378 Y379 F404 R405 E408	R371-A375 PolarHBondContact O-N 2.97Å; D372-A375 WeakPolarHBondContact O-CB 2.99Å; D372-A375 PolarHBondContact O-N 2.82Å; A375-R378 PolarHBondContact O-N 2.81Å; A375-Y379 PolarHBondContact O-N 3.13Å; A375-F404 HydrophobicContact CB-CB 4.11Å; A375-R405 HydrophobicContact CB-CG 3.87Å; A375-E408 HydrophobicContact CB-CG 4.1Å
376	V	98.8	Very high	98.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-66.3	-39.5	178.3	179.4	0	0	0	0	111.7	D372 A373 Y379 L380 I462 V594	D372-V376 WeakPolarHBondContact O-CG2 3.33Å; D372-V376 PolarHBondContact O-N 3.45Å; A373-V376 PolarHBondContact O-N 3.02Å; V376-Y379 WeakPolarHBondContact O-CB 3.42Å; V376-Y379 PolarHBondContact O-N 2.81Å; V376-L380 HydrophobicContact CG1-CD1 4.23Å; V376-L380 HydrophobicContact CG1-CG 4.36Å; V376-L380 WeakPolarHBondContact O-CG 2.85Å; V376-L380 PolarHBondContact O-N 3.02Å; V376-I462 HydrophobicContact CG2-CG2 4.13Å; V376-V594 HydrophobicContact CB-CG2 3.97Å; V376-V594 HydrophobicContact CG1-CG1 3.94Å; V376-V594 HydrophobicContact CG1-CG2 3.89Å
377	I	98.9	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.7	-43	177	-72.2	159.9	0	0	0	111.3	A373 V374 Y379 L380 V381 V625 E637 W640 L641	A373-I377 WeakPolarHBondContact O-CB 3.48Å; A373-I377 VanDerWaalsContact O-CD1 3.29Å; A373-I377 WeakPolarHBondContact O-CD1 2.99Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 3.45Å; V374-I377 PolarHBondContact O-N 3.41Å; I377-Y379 PolarHBondContact O-N 3.41Å; I377-L380 PolarHBondContact O-N 3.27Å; I377-V381 HydrophobicContact CG2-CG2 4.36Å; I377-V381 WeakPolarHBondContact O-CB 3.39Å; I377-V381 VanDerWaalsContact O-CG2 3.26Å; I377-V381 WeakPolarHBondContact O-CG2 3.47Å; I377-V381 PolarHBondContact O-N 3.39Å; I377-V625 HydrophobicContact CD1-CG1 3.76Å; I377-E637 HydrophobicContact CG2-CB 3.92Å; I377-E637 HydrophobicContact CG2-CG 4.33Å; I377-W640 HydrophobicContact CG1-CZ3 4.07Å; I377-W640 HydrophobicContact CG2-CE3 3.74Å; I377-W640 HydrophobicContact CG2-CZ3 4.02Å; I377-L641 HydrophobicContact CD1-CD1 3.67Å
378	R	98.8	Very high	98	Very high	33 Å²	33	21.2 Å²	21.2	13%	0.125	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-41.5	173	-71.2	169.6	69.1	-158.9	-1	111	V374 A375 W382 F404 E407 E408 L634 E637	V374-R378 HydrophobicContact CG1-CG 4.48Å; V374-R378 VanDerWaalsContact O-CG 3.24Å; V374-R378 WeakPolarHBondContact O-CG 3.37Å; V374-R378 PolarHBondContact O-N 3.35Å; A375-R378 PolarHBondContact O-N 2.81Å; R378-W382 WeakPolarHBondContact O-CB 3.39Å; R378-W382 PolarHBondContact O-N 3.29Å; R378-F404 HydrophobicContact CB-CD2 3.95Å; R378-F404 HydrophobicContact CB-CE2 4.03Å; R378-F404 HydrophobicContact CB-CG 4.44Å; R378-F404 VanDerWaalsContact NH2-CD1 3.31Å; R378-E407 IonicContact CZ-OE2 3.23Å; R378-E407 VanDerWaalsContact CZ-OE2 3.23Å; R378-E407 IonicContact NH1-OE2 2.8Å; R378-E407 PolarHBondContact NH1-OE2 2.9Å; R378-E407 IonicContact NH2-OE2 2.72Å; R378-E407 PolarHBondContact NH2-OE2 2.93Å; R378-E408 IonicContact NH1-OE1 2.8Å; R378-L634 HydrophobicContact CG-CD1 4.28Å; R378-E637 HydrophobicContact CB-CG 4.45Å; R378-E637 HydrophobicContact CG-CG 3.82Å
379	Y	98.8	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-50.1	176.5	179.6	-110.2	0	0	0	113	A375 V376 I377 V381 W382 L383 G397 L400 V401 Y447 L449	A375-Y379 PolarHBondContact O-N 3.13Å; V376-Y379 WeakPolarHBondContact O-CB 3.42Å; V376-Y379 PolarHBondContact O-N 2.81Å; I377-Y379 PolarHBondContact O-N 3.41Å; Y379-V381 PolarHBondContact O-N 3.06Å; Y379-W382 HydrophobicContact CD2-CE3 4.47Å; Y379-W382 HydrophobicContact CE2-CE3 4.27Å; Y379-W382 HydrophobicContact CE2-CZ3 4.27Å; Y379-W382 WeakPolarHBondContact O-CB 3.46Å; Y379-W382 PolarHBondContact O-N 3.43Å; Y379-W382 VanDerWaalsContact O-N 3.11Å; Y379-L383 HydrophobicContact CD1-CD1 3.86Å; Y379-L383 HydrophobicContact CD1-CG 4.39Å; Y379-L383 HydrophobicContact CE1-CD1 3.19Å; Y379-L383 HydrophobicContact CE1-CG 3.9Å; Y379-L383 HydrophobicContact CE2-CD1 4.23Å; Y379-L383 HydrophobicContact CE2-CD2 4.26Å; Y379-L383 HydrophobicContact CE2-CG 4.05Å; Y379-L383 VanDerWaalsContact CZ-CD1 3.42Å; Y379-L383 PolarHBondContact O-N 3.41Å; Y379-G397 WeakPolarHBondContact CE2-O 3.35Å; Y379-G397 WeakPolarHBondContact OH-CA 3.3Å; Y379-G397 PolarHBondContact OH-O 3.07Å; Y379-L400 HydrophobicContact CD2-CB 4.34Å; Y379-L400 HydrophobicContact CD2-CD2 4.17Å; Y379-L400 HydrophobicContact CD2-CG 4.26Å; Y379-L400 HydrophobicContact CE2-CB 4.22Å; Y379-L400 HydrophobicContact CE2-CD2 4.37Å; Y379-V401 HydrophobicContact CD1-CB 4.19Å; Y379-V401 HydrophobicContact CD1-CG2 4.2Å; Y379-V401 HydrophobicContact CD2-CB 3.86Å; Y379-V401 HydrophobicContact CD2-CG2 4.48Å; Y379-V401 HydrophobicContact CE1-CB 4.45Å; Y379-V401 HydrophobicContact CE2-CB 4.15Å; Y379-V401 HydrophobicContact CG-CB 3.87Å; Y379-V401 HydrophobicContact CG-CG2 4.01Å; Y379-Y447 HydrophobicContact CE1-CE1 4.24Å; Y379-Y447 PolarHBondContact OH-OH 3.18Å; Y379-L449 HydrophobicContact CD1-CD2 3.66Å; Y379-L449 HydrophobicContact CE1-CD1 3.98Å; Y379-L449 HydrophobicContact CE1-CD2 3.57Å; Y379-L449 HydrophobicContact CE1-CG 4.26Å
380	L	98.6	Very high	97.6	Very high	8 Å²	8	29 Å²	29	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-41.2	179.2	-67.5	176.4	0	0	0	112.4	V376 I377 W382 L383 E384 V466 V594 W640	V376-L380 HydrophobicContact CG1-CD1 4.23Å; V376-L380 HydrophobicContact CG1-CG 4.36Å; V376-L380 WeakPolarHBondContact O-CG 2.85Å; V376-L380 PolarHBondContact O-N 3.02Å; I377-L380 PolarHBondContact O-N 3.27Å; L380-W382 VanDerWaalsContact C-N 3.3Å; L380-W382 PolarHBondContact O-N 2.84Å; L380-L383 HydrophobicContact CD2-CD1 4.44Å; L380-L383 PolarHBondContact O-N 3.15Å; L380-E384 PolarHBondContact O-N 2.94Å; L380-V466 HydrophobicContact CD2-CG1 4.27Å; L380-V594 HydrophobicContact CD1-CG1 3.68Å; L380-W640 HydrophobicContact CB-CH2 4.04Å; L380-W640 HydrophobicContact CB-CZ2 3.91Å; L380-W640 HydrophobicContact CD1-CH2 3.74Å; L380-W640 HydrophobicContact CD1-CZ2 4.28Å
381	V	98.6	Very high	97.4	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-40.6	173.6	170.6	0	0	0	0	111.5	I377 Y379 K385 E636 E637 W640	I377-V381 HydrophobicContact CG2-CG2 4.36Å; I377-V381 WeakPolarHBondContact O-CB 3.39Å; I377-V381 VanDerWaalsContact O-CG2 3.26Å; I377-V381 WeakPolarHBondContact O-CG2 3.47Å; I377-V381 PolarHBondContact O-N 3.39Å; Y379-V381 PolarHBondContact O-N 3.06Å; V381-K385 WeakPolarHBondContact O-CG 3.24Å; V381-E636 HydrophobicContact CG1-CG 4.17Å; V381-E637 HydrophobicContact CG2-CG 4.17Å; V381-W640 HydrophobicContact CG2-CB 3.57Å; V381-W640 HydrophobicContact CG2-CD2 3.66Å; V381-W640 HydrophobicContact CG2-CE3 4.24Å; V381-W640 HydrophobicContact CG2-CG 3.34Å
382	W	98.5	Very high	97.4	Very high	73 Å²	73	31.2 Å²	31.2	28%	0.277	16%	0.163	S	C	.	.	H	α-helix	trans	-67.5	-41.5	176.2	175.9	93.2	0	0	0	112	R378 Y379 L380 K385 N386 V392 L400	R378-W382 WeakPolarHBondContact O-CB 3.39Å; R378-W382 PolarHBondContact O-N 3.29Å; Y379-W382 HydrophobicContact CD2-CE3 4.47Å; Y379-W382 HydrophobicContact CE2-CE3 4.27Å; Y379-W382 HydrophobicContact CE2-CZ3 4.27Å; Y379-W382 WeakPolarHBondContact O-CB 3.46Å; Y379-W382 PolarHBondContact O-N 3.43Å; Y379-W382 VanDerWaalsContact O-N 3.11Å; L380-W382 VanDerWaalsContact C-N 3.3Å; L380-W382 PolarHBondContact O-N 2.84Å; W382-K385 PolarHBondContact O-N 3.32Å; W382-N386 VanDerWaalsContact CD1-ND2 3.25Å; W382-N386 HydrophobicContact CZ2-CB 4.34Å; W382-N386 PolarHBondContact NE1-ND2 3.19Å; W382-N386 VanDerWaalsContact NE1-ND2 3.16Å; W382-N386 PolarHBondContact O-N 3.45Å; W382-N386 PolarHBondContact O-ND2 3.35Å; W382-V392 HydrophobicContact CH2-CB 4.15Å; W382-V392 HydrophobicContact CH2-CG1 3.67Å; W382-V392 HydrophobicContact CH2-CG2 3.4Å; W382-V392 HydrophobicContact CZ2-CG2 4.02Å; W382-V392 HydrophobicContact CZ3-CB 4.43Å; W382-V392 HydrophobicContact CZ3-CG1 3.7Å; W382-V392 HydrophobicContact CZ3-CG2 3.8Å; W382-L400 HydrophobicContact CB-CD2 4.4Å; W382-L400 HydrophobicContact CD2-CD2 3.14Å; W382-L400 HydrophobicContact CE3-CD2 3.25Å; W382-L400 HydrophobicContact CG-CD2 3.67Å; W382-L400 HydrophobicContact CH2-CD2 3.7Å; W382-L400 HydrophobicContact CZ2-CD2 3.66Å; W382-L400 HydrophobicContact CZ3-CD2 3.5Å
383	L	98.1	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-48.4	178.2	-78.2	178.6	0	0	0	111.8	Y379 L380 K385 N386 V387 V392 L441 Y447 W468	Y379-L383 HydrophobicContact CD1-CD1 3.86Å; Y379-L383 HydrophobicContact CD1-CG 4.39Å; Y379-L383 HydrophobicContact CE1-CD1 3.19Å; Y379-L383 HydrophobicContact CE1-CG 3.9Å; Y379-L383 HydrophobicContact CE2-CD1 4.23Å; Y379-L383 HydrophobicContact CE2-CD2 4.26Å; Y379-L383 HydrophobicContact CE2-CG 4.05Å; Y379-L383 VanDerWaalsContact CZ-CD1 3.42Å; Y379-L383 PolarHBondContact O-N 3.41Å; L380-L383 HydrophobicContact CD2-CD1 4.44Å; L380-L383 PolarHBondContact O-N 3.15Å; L383-K385 PolarHBondContact O-N 2.84Å; L383-N386 PolarHBondContact O-N 3.13Å; L383-V387 HydrophobicContact CB-CG2 4.19Å; L383-V387 HydrophobicContact CD2-CG2 3.77Å; L383-V387 WeakPolarHBondContact O-CB 3.44Å; L383-V387 WeakPolarHBondContact O-CG2 3.45Å; L383-V387 PolarHBondContact O-N 3.26Å; L383-V392 HydrophobicContact CD2-CG1 3.93Å; L383-L441 HydrophobicContact CD2-CD2 3.72Å; L383-Y447 HydrophobicContact CD1-CD1 4.06Å; L383-Y447 HydrophobicContact CD1-CE1 3.62Å; L383-W468 HydrophobicContact CB-CH2 4.24Å; L383-W468 HydrophobicContact CB-CZ2 3.64Å; L383-W468 HydrophobicContact CD1-CH2 3.96Å; L383-W468 HydrophobicContact CD1-CZ2 3.84Å; L383-W468 HydrophobicContact CG-CZ2 4.32Å
384	E	96.3	Very high	97.4	Very high	66 Å²	66	32.9 Å²	32.9	31%	0.308	17%	0.171	S	C	.	.	H	α-helix	trans	-53.4	-32.3	178.5	-84.6	-178.1	-158.9	0	0	113.2	L380 P388 W468 W640 H644	L380-E384 PolarHBondContact O-N 2.94Å; E384-P388 WeakPolarHBondContact O-CD 3.44Å; E384-P388 WeakPolarHBondContact O-CG 3.39Å; E384-W468 VanDerWaalsContact CG-NE1 3.28Å; E384-W640 PolarHBondContact OE1-NE1 2.8Å; E384-W640 VanDerWaalsContact OE2-CD1 3.28Å; E384-W640 PolarHBondContact OE2-NE1 3.01Å; E384-H644 IonicContact OE1-CE1 3.6Å; E384-H644 IonicContact OE1-NE2 2.87Å; E384-H644 PolarHBondContact OE1-NE2 3.38Å; E384-H644 IonicContact OE2-CE1 3.92Å
385	K	96	Very high	97.3	Very high	86 Å²	86	35.4 Å²	35.4	37%	0.374	18%	0.183	S	C	.	.	H	α-helix	trans	-82	-29.4	178.3	-68.3	172.6	177.8	-177.1	0	114.2	V381 W382 L383 K389 E636	V381-K385 WeakPolarHBondContact O-CG 3.24Å; W382-K385 PolarHBondContact O-N 3.32Å; L383-K385 PolarHBondContact O-N 2.84Å; K385-K389 WeakPolarHBondContact O-CD 3.39Å; K385-K389 WeakPolarHBondContact O-CE 3.44Å; K385-K389 PolarHBondContact O-NZ 2.86Å; K385-E636 WeakPolarHBondContact CE-OE1 3.27Å; K385-E636 IonicContact NZ-OE1 2.67Å; K385-E636 PolarHBondContact NZ-OE1 3.15Å; K385-E636 IonicContact NZ-OE2 2.62Å; K385-E636 PolarHBondContact NZ-OE2 3.09Å
386	N	97.3	Very high	97.3	Very high	25 Å²	25	37 Å²	37	13%	0.134	19%	0.193	C	C	.	.	H	α-helix	trans	-114	-26	-164.4	-65.6	-63.2	0	0	0	113.8	W382 L383 K389 G390 T391 V392	W382-N386 VanDerWaalsContact CD1-ND2 3.25Å; W382-N386 HydrophobicContact CZ2-CB 4.34Å; W382-N386 PolarHBondContact NE1-ND2 3.19Å; W382-N386 VanDerWaalsContact NE1-ND2 3.16Å; W382-N386 PolarHBondContact O-N 3.45Å; W382-N386 PolarHBondContact O-ND2 3.35Å; L383-N386 PolarHBondContact O-N 3.13Å; N386-K389 WeakPolarHBondContact O-CB 3.44Å; N386-K389 PolarHBondContact O-N 3.21Å; N386-K389 PolarHBondContact OD1-NZ 3.2Å; N386-G390 PolarHBondContact O-N 2.93Å; N386-T391 PolarHBondContact O-OG1 2.73Å; N386-V392 HydrophobicContact CB-CG2 3.66Å
387	V	96.9	Very high	97.2	Very high	4 Å²	4	37 Å²	37	2%	0.024	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-58.3	-46.5	172	173.7	0	0	0	0	111.3	L383 K389 G390 V392 L441 W468	L383-V387 HydrophobicContact CB-CG2 4.19Å; L383-V387 HydrophobicContact CD2-CG2 3.77Å; L383-V387 WeakPolarHBondContact O-CB 3.44Å; L383-V387 WeakPolarHBondContact O-CG2 3.45Å; L383-V387 PolarHBondContact O-N 3.26Å; V387-K389 PolarHBondContact O-N 3.47Å; V387-G390 PolarHBondContact O-N 3.29Å; V387-V392 HydrophobicContact CG2-CB 4.39Å; V387-V392 HydrophobicContact CG2-CG2 4.48Å; V387-L441 HydrophobicContact CG1-CB 4.04Å; V387-L441 HydrophobicContact CG2-CB 3.93Å; V387-L441 HydrophobicContact CG2-CD2 3.76Å; V387-W468 HydrophobicContact CB-CD2 4.46Å; V387-W468 HydrophobicContact CB-CE3 4.19Å; V387-W468 HydrophobicContact CB-CZ3 4.29Å; V387-W468 HydrophobicContact CG1-CD2 4.36Å; V387-W468 HydrophobicContact CG1-CE3 3.71Å; V387-W468 HydrophobicContact CG1-CZ3 3.91Å; V387-W468 HydrophobicContact CG2-CE3 4.28Å; V387-W468 HydrophobicContact CG2-CH2 3.91Å; V387-W468 HydrophobicContact CG2-CZ2 4.32Å; V387-W468 HydrophobicContact CG2-CZ3 3.9Å
388	P	94.4	Very high	97.2	Very high	81 Å²	81	37.4 Å²	37.4	53%	0.526	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-62.5	-16.5	176.4	-24.2	35.3	0	0	0	114.7	E384	E384-P388 WeakPolarHBondContact O-CD 3.44Å; E384-P388 WeakPolarHBondContact O-CG 3.39Å
389	K	95.6	Very high	97.2	Very high	137 Å²	137	41.1 Å²	41.1	60%	0.596	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-86.7	-9.4	176.8	-57.3	176.3	-172.8	152.9	0	112.8	K385 N386 V387 T391	K385-K389 WeakPolarHBondContact O-CD 3.39Å; K385-K389 WeakPolarHBondContact O-CE 3.44Å; K385-K389 PolarHBondContact O-NZ 2.86Å; N386-K389 WeakPolarHBondContact O-CB 3.44Å; N386-K389 PolarHBondContact O-N 3.21Å; N386-K389 PolarHBondContact OD1-NZ 3.2Å; V387-K389 PolarHBondContact O-N 3.47Å; K389-T391 VanDerWaalsContact C-N 3.31Å; K389-T391 HydrophobicContact CB-CG2 4.1Å; K389-T391 PolarHBondContact O-N 3Å
390	G	94.1	Very high	97.2	Very high	33 Å²	33	42.4 Å²	42.4	34%	0.34	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	23.4	-179.5	0	0	0	0	0	114.6	N386 V387	N386-G390 PolarHBondContact O-N 2.93Å; V387-G390 PolarHBondContact O-N 3.29Å
391	T	94.3	Very high	97.2	Very high	94 Å²	94	42 Å²	42	58%	0.577	22%	0.22	S	C	*	.			trans	-102.9	4.3	-176.1	61.7	0	0	0	0	114	N386 K389	N386-T391 PolarHBondContact O-OG1 2.73Å; K389-T391 VanDerWaalsContact C-N 3.31Å; K389-T391 HydrophobicContact CB-CG2 4.1Å; K389-T391 PolarHBondContact O-N 3Å
392	V	97.3	Very high	97.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.23	C	C	.	.			trans	-118.9	135.4	-175.7	-171.6	0	0	0	0	109.4	W382 L383 N386 V387 L441	W382-V392 HydrophobicContact CH2-CB 4.15Å; W382-V392 HydrophobicContact CH2-CG1 3.67Å; W382-V392 HydrophobicContact CH2-CG2 3.4Å; W382-V392 HydrophobicContact CZ2-CG2 4.02Å; W382-V392 HydrophobicContact CZ3-CB 4.43Å; W382-V392 HydrophobicContact CZ3-CG1 3.7Å; W382-V392 HydrophobicContact CZ3-CG2 3.8Å; L383-V392 HydrophobicContact CD2-CG1 3.93Å; N386-V392 HydrophobicContact CB-CG2 3.66Å; V387-V392 HydrophobicContact CG2-CB 4.39Å; V387-V392 HydrophobicContact CG2-CG2 4.48Å; V392-L441 HydrophobicContact CG1-CD2 4.05Å; V392-L441 PolarHBondContact O-N 3.06Å
393	D	97.9	Very high	97.2	Very high	43 Å²	43	46.3 Å²	46.3	23%	0.23	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-122	169.4	168.4	56.6	43.3	0	0	0	110.2	F395 S396 G397 R439 L441	D393-F395 VanDerWaalsContact C-N 3.26Å; D393-F395 PolarHBondContact O-N 3.47Å; D393-F395 PolarHBondContact OD1-N 3.38Å; D393-S396 PolarHBondContact N-OG 3.02Å; D393-S396 PolarHBondContact O-N 3.47Å; D393-S396 PolarHBondContact O-OG 3Å; D393-S396 VanDerWaalsContact OD1-CB 3.23Å; D393-S396 WeakPolarHBondContact OD1-CB 3.19Å; D393-S396 PolarHBondContact OD1-N 2.87Å; D393-S396 PolarHBondContact OD1-OG 3.12Å; D393-G397 PolarHBondContact O-N 2.73Å; D393-R439 CarbonylContact C-O 3.58Å; D393-R439 VanDerWaalsContact CA-O 3.25Å; D393-R439 WeakPolarHBondContact CA-O 3.47Å; D393-R439 VanDerWaalsContact CB-O 3.27Å; D393-R439 WeakPolarHBondContact CB-O 3.35Å; D393-L441 VanDerWaalsContact C-CD1 3.44Å
394	E	98.4	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56	-42.2	-176.5	-73.5	168.4	156.5	0	0	112	G397 A398 S420 S422 N425 Y431 P433 N438 R439 L441	E394-G397 PolarHBondContact O-N 3.38Å; E394-A398 PolarHBondContact O-N 2.96Å; E394-S420 WeakPolarHBondContact CA-OG 3.5Å; E394-S420 VanDerWaalsContact CB-O 3.23Å; E394-S420 WeakPolarHBondContact CB-O 3.24Å; E394-S420 VanDerWaalsContact CG-O 3.28Å; E394-S420 WeakPolarHBondContact CG-O 3.41Å; E394-S420 VanDerWaalsContact O-CB 3.24Å; E394-S420 WeakPolarHBondContact O-CB 3.46Å; E394-S420 PolarHBondContact O-OG 3.25Å; E394-S422 PolarHBondContact OE1-N 2.95Å; E394-N425 VanDerWaalsContact CD-ND2 3.34Å; E394-N425 VanDerWaalsContact OE1-CB 3.31Å; E394-N425 WeakPolarHBondContact OE1-CB 3.24Å; E394-N425 PolarHBondContact OE1-ND2 3.41Å; E394-N425 PolarHBondContact OE2-ND2 3.38Å; E394-Y431 PolarHBondContact OE2-OH 2.68Å; E394-P433 HydrophobicContact CB-CB 3.63Å; E394-P433 HydrophobicContact CB-CG 3.92Å; E394-N438 HydrophobicContact CB-CB 4.17Å; E394-N438 WeakPolarHBondContact OE2-CA 3.39Å; E394-R439 HydrophobicContact CG-CB 4.41Å; E394-R439 WeakPolarHBondContact CG-O 3.46Å; E394-R439 PolarHBondContact N-O 3.4Å; E394-R439 PolarHBondContact OE2-N 2.98Å; E394-L441 HydrophobicContact CB-CD1 4.41Å; E394-L441 HydrophobicContact CG-CD1 3.89Å
395	F	97.9	Very high	97.3	Very high	53 Å²	53	44.4 Å²	44.4	23%	0.232	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-50.5	-178	-177.8	-101.5	0	0	0	111.8	D393 G397 A398 E399 P433 T434 K435 N438	D393-F395 VanDerWaalsContact C-N 3.26Å; D393-F395 PolarHBondContact O-N 3.47Å; D393-F395 PolarHBondContact OD1-N 3.38Å; F395-G397 PolarHBondContact O-N 3.37Å; F395-A398 WeakPolarHBondContact O-CB 3.39Å; F395-A398 PolarHBondContact O-N 3.5Å; F395-A398 VanDerWaalsContact O-N 3.08Å; F395-E399 HydrophobicContact CD1-CG 4.34Å; F395-E399 HydrophobicContact CE1-CG 3.88Å; F395-E399 VanDerWaalsContact CE1-OE2 3.25Å; F395-E399 WeakPolarHBondContact CE1-OE2 3.34Å; F395-E399 HydrophobicContact CE2-CG 4.47Å; F395-E399 HydrophobicContact CZ-CG 3.95Å; F395-E399 PolarHBondContact O-N 2.87Å; F395-P433 HydrophobicContact CB-CB 4.26Å; F395-T434 VanDerWaalsContact CD2-C 3.43Å; F395-K435 HydrophobicContact CD1-CB 4.49Å; F395-K435 HydrophobicContact CE1-CB 4.18Å; F395-K435 HydrophobicContact CE2-CB 4.43Å; F395-K435 HydrophobicContact CZ-CB 4.16Å; F395-N438 HydrophobicContact CB-CB 4.03Å
396	S	97.9	Very high	97.4	Very high	33 Å²	33	42.7 Å²	42.7	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-29.8	175.7	57.2	0	0	0	0	112.7	D393 L400	D393-S396 PolarHBondContact N-OG 3.02Å; D393-S396 PolarHBondContact O-N 3.47Å; D393-S396 PolarHBondContact O-OG 3Å; D393-S396 VanDerWaalsContact OD1-CB 3.23Å; D393-S396 WeakPolarHBondContact OD1-CB 3.19Å; D393-S396 PolarHBondContact OD1-N 2.87Å; D393-S396 PolarHBondContact OD1-OG 3.12Å; S396-L400 WeakPolarHBondContact O-CB 3.33Å; S396-L400 PolarHBondContact O-N 3.23Å
397	G	97.5	Very high	97.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-50.1	169.4	0	0	0	0	0	112.2	Y379 D393 E394 F395 L400 V401	Y379-G397 WeakPolarHBondContact CE2-O 3.35Å; Y379-G397 WeakPolarHBondContact OH-CA 3.3Å; Y379-G397 PolarHBondContact OH-O 3.07Å; D393-G397 PolarHBondContact O-N 2.73Å; E394-G397 PolarHBondContact O-N 3.38Å; F395-G397 PolarHBondContact O-N 3.37Å; G397-L400 PolarHBondContact O-N 3.45Å; G397-V401 PolarHBondContact O-N 3.44Å
398	A	98.3	Very high	97.5	Very high	10 Å²	10	46.2 Å²	46.2	8%	0.083	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-47.9	178.3	0	0	0	0	0	111.8	E394 F395 L400 V401 D402 T418 P433	E394-A398 PolarHBondContact O-N 2.96Å; F395-A398 WeakPolarHBondContact O-CB 3.39Å; F395-A398 PolarHBondContact O-N 3.5Å; F395-A398 VanDerWaalsContact O-N 3.08Å; A398-L400 PolarHBondContact O-N 3.4Å; A398-V401 WeakPolarHBondContact O-CG1 3.5Å; A398-V401 PolarHBondContact O-N 2.94Å; A398-D402 PolarHBondContact O-N 3.47Å; A398-T418 HydrophobicContact CB-CG2 3.66Å; A398-P433 HydrophobicContact CB-CG 4.28Å
399	E	98.1	Very high	97.6	Very high	111 Å²	111	48.3 Å²	48.3	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-36.7	178.3	-71.5	-170	118.6	0	0	112.4	F395 K403	F395-E399 HydrophobicContact CD1-CG 4.34Å; F395-E399 HydrophobicContact CE1-CG 3.88Å; F395-E399 VanDerWaalsContact CE1-OE2 3.25Å; F395-E399 WeakPolarHBondContact CE1-OE2 3.34Å; F395-E399 HydrophobicContact CE2-CG 4.47Å; F395-E399 HydrophobicContact CZ-CG 3.95Å; F395-E399 PolarHBondContact O-N 2.87Å; E399-K403 WeakPolarHBondContact O-CB 3.4Å; E399-K403 PolarHBondContact O-N 3.1Å
400	L	98.5	Very high	97.7	Very high	26 Å²	26	45.9 Å²	45.9	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-73.4	-40.9	-176.6	-174.7	65.6	0	0	0	112.9	Y379 W382 S396 G397 A398 D402 K403 F404	Y379-L400 HydrophobicContact CD2-CB 4.34Å; Y379-L400 HydrophobicContact CD2-CD2 4.17Å; Y379-L400 HydrophobicContact CD2-CG 4.26Å; Y379-L400 HydrophobicContact CE2-CB 4.22Å; Y379-L400 HydrophobicContact CE2-CD2 4.37Å; W382-L400 HydrophobicContact CB-CD2 4.4Å; W382-L400 HydrophobicContact CD2-CD2 3.14Å; W382-L400 HydrophobicContact CE3-CD2 3.25Å; W382-L400 HydrophobicContact CG-CD2 3.67Å; W382-L400 HydrophobicContact CH2-CD2 3.7Å; W382-L400 HydrophobicContact CZ2-CD2 3.66Å; W382-L400 HydrophobicContact CZ3-CD2 3.5Å; S396-L400 WeakPolarHBondContact O-CB 3.33Å; S396-L400 PolarHBondContact O-N 3.23Å; G397-L400 PolarHBondContact O-N 3.45Å; A398-L400 PolarHBondContact O-N 3.4Å; L400-D402 VanDerWaalsContact C-N 3.31Å; L400-K403 HydrophobicContact CD1-CD 4.37Å; L400-K403 WeakPolarHBondContact O-CB 3.38Å; L400-K403 PolarHBondContact O-N 3.14Å; L400-F404 HydrophobicContact CD1-CE1 4.06Å; L400-F404 HydrophobicContact CD1-CE2 4.14Å; L400-F404 HydrophobicContact CD1-CZ 3.83Å; L400-F404 HydrophobicContact CD2-CE2 4.02Å; L400-F404 HydrophobicContact CD2-CZ 4.21Å; L400-F404 HydrophobicContact CG-CD2 4.25Å; L400-F404 HydrophobicContact CG-CE2 3.83Å; L400-F404 HydrophobicContact CG-CZ 4.04Å; L400-F404 PolarHBondContact O-N 3.08Å
401	V	98.6	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-39.9	177.6	71	0	0	0	0	110.6	Y379 G397 A398 K403 F404 R405 T418 L449	Y379-V401 HydrophobicContact CD1-CB 4.19Å; Y379-V401 HydrophobicContact CD1-CG2 4.2Å; Y379-V401 HydrophobicContact CD2-CB 3.86Å; Y379-V401 HydrophobicContact CD2-CG2 4.48Å; Y379-V401 HydrophobicContact CE1-CB 4.45Å; Y379-V401 HydrophobicContact CE2-CB 4.15Å; Y379-V401 HydrophobicContact CG-CB 3.87Å; Y379-V401 HydrophobicContact CG-CG2 4.01Å; G397-V401 PolarHBondContact O-N 3.44Å; A398-V401 WeakPolarHBondContact O-CG1 3.5Å; A398-V401 PolarHBondContact O-N 2.94Å; V401-K403 VanDerWaalsContact C-N 3.33Å; V401-K403 PolarHBondContact O-N 2.79Å; V401-F404 PolarHBondContact O-N 3.12Å; V401-R405 PolarHBondContact O-N 2.83Å; V401-T418 HydrophobicContact CG1-CG2 3.9Å; V401-L449 HydrophobicContact CG1-CD1 4.15Å; V401-L449 HydrophobicContact CG2-CD2 4.42Å
402	D	98.4	Very high	98.1	Very high	45 Å²	45	44 Å²	44	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-40.2	175.8	-71.9	-5.8	0	0	0	111.2	A398 L400 R405 G406 T418	A398-D402 PolarHBondContact O-N 3.47Å; L400-D402 VanDerWaalsContact C-N 3.31Å; D402-R405 PolarHBondContact O-N 3.04Å; D402-G406 PolarHBondContact O-N 3.42Å; D402-T418 PolarHBondContact OD1-OG1 3.06Å
403	K	98.6	Very high	98	Very high	125 Å²	125	45.2 Å²	45.2	54%	0.543	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-47.9	172.7	179.8	-176.1	173.9	-175.3	0	111.8	E399 L400 V401 R405 G406 E407	E399-K403 WeakPolarHBondContact O-CB 3.4Å; E399-K403 PolarHBondContact O-N 3.1Å; L400-K403 HydrophobicContact CD1-CD 4.37Å; L400-K403 WeakPolarHBondContact O-CB 3.38Å; L400-K403 PolarHBondContact O-N 3.14Å; V401-K403 VanDerWaalsContact C-N 3.33Å; V401-K403 PolarHBondContact O-N 2.79Å; K403-R405 VanDerWaalsContact C-N 3.29Å; K403-R405 PolarHBondContact O-N 2.71Å; K403-G406 PolarHBondContact O-N 3.42Å; K403-G406 VanDerWaalsContact O-N 3.09Å; K403-E407 WeakPolarHBondContact CE-OE1 3.23Å; K403-E407 WeakPolarHBondContact O-CG 3.44Å; K403-E407 PolarHBondContact O-N 3.25Å; K403-E407 VanDerWaalsContact O-N 3.15Å
404	F	98.7	Very high	98.1	Very high	23 Å²	23	44.9 Å²	44.9	10%	0.101	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-37	178.3	-72.1	-27.6	0	0	0	112.1	A375 R378 L400 V401 E407	A375-F404 HydrophobicContact CB-CB 4.11Å; R378-F404 HydrophobicContact CB-CD2 3.95Å; R378-F404 HydrophobicContact CB-CE2 4.03Å; R378-F404 HydrophobicContact CB-CG 4.44Å; R378-F404 VanDerWaalsContact NH2-CD1 3.31Å; L400-F404 HydrophobicContact CD1-CE1 4.06Å; L400-F404 HydrophobicContact CD1-CE2 4.14Å; L400-F404 HydrophobicContact CD1-CZ 3.83Å; L400-F404 HydrophobicContact CD2-CE2 4.02Å; L400-F404 HydrophobicContact CD2-CZ 4.21Å; L400-F404 HydrophobicContact CG-CD2 4.25Å; L400-F404 HydrophobicContact CG-CE2 3.83Å; L400-F404 HydrophobicContact CG-CZ 4.04Å; L400-F404 PolarHBondContact O-N 3.08Å; V401-F404 PolarHBondContact O-N 3.12Å; F404-E407 PolarHBondContact O-N 2.94Å
405	R	98.6	Very high	98.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-36	171.3	-73.6	-172.3	171.7	107.5	-1.5	112.9	D372 A375 V401 D402 K403 E407 E408 S411 S451	D372-R405 IonicContact OD1-CZ 2.72Å; D372-R405 IonicContact OD1-NE 3.56Å; D372-R405 PolarHBondContact OD1-NE 3.12Å; D372-R405 IonicContact OD1-NH2 3.58Å; D372-R405 IonicContact OD2-CZ 3.59Å; D372-R405 IonicContact OD2-NE 2.59Å; D372-R405 IonicContact OD2-NH2 3.48Å; D372-R405 PolarHBondContact OD2-NH2 2.98Å; A375-R405 HydrophobicContact CB-CG 3.87Å; V401-R405 PolarHBondContact O-N 2.83Å; D402-R405 PolarHBondContact O-N 3.04Å; K403-R405 VanDerWaalsContact C-N 3.29Å; K403-R405 PolarHBondContact O-N 2.71Å; R405-E407 PolarHBondContact O-N 3.1Å; R405-E408 WeakPolarHBondContact O-CB 3.37Å; R405-E408 PolarHBondContact O-N 3.41Å; R405-E408 VanDerWaalsContact O-N 3.15Å; R405-S411 WeakPolarHBondContact O-CB 3.15Å; R405-S411 PolarHBondContact O-OG 3.12Å; R405-S451 PolarHBondContact NH1-OG 3.27Å; R405-S451 PolarHBondContact NH2-O 3.23Å; R405-S451 PolarHBondContact NH2-OG 3.26Å
406	G	98.2	Very high	98	Very high	51 Å²	51	42.8 Å²	42.8	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-24.3	175.2	0	0	0	0	0	113.8	D402 K403	D402-G406 PolarHBondContact O-N 3.42Å; K403-G406 PolarHBondContact O-N 3.42Å; K403-G406 VanDerWaalsContact O-N 3.09Å
407	E	97.9	Very high	97.9	Very high	92 Å²	92	45.7 Å²	45.7	43%	0.43	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-13.7	175.6	-66.5	168.7	-177	0	0	113.3	R378 K403 F404 R405	R378-E407 IonicContact CZ-OE2 3.23Å; R378-E407 VanDerWaalsContact CZ-OE2 3.23Å; R378-E407 IonicContact NH1-OE2 2.8Å; R378-E407 PolarHBondContact NH1-OE2 2.9Å; R378-E407 IonicContact NH2-OE2 2.72Å; R378-E407 PolarHBondContact NH2-OE2 2.93Å; K403-E407 WeakPolarHBondContact CE-OE1 3.23Å; K403-E407 WeakPolarHBondContact O-CG 3.44Å; K403-E407 PolarHBondContact O-N 3.25Å; K403-E407 VanDerWaalsContact O-N 3.15Å; F404-E407 PolarHBondContact O-N 2.94Å; R405-E407 PolarHBondContact O-N 3.1Å
408	E	97.9	Very high	97.9	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.047	25%	0.249	C	C	.	.	S	Bend	trans	-76.7	150	-179.7	-66.2	-55.7	135.8	0	0	112.3	A375 R378 R405 F410 S411 Y455 R632	A375-E408 HydrophobicContact CB-CG 4.1Å; R378-E408 IonicContact NH1-OE1 2.8Å; R405-E408 WeakPolarHBondContact O-CB 3.37Å; R405-E408 PolarHBondContact O-N 3.41Å; R405-E408 VanDerWaalsContact O-N 3.15Å; E408-F410 PolarHBondContact O-N 3.45Å; E408-S411 VanDerWaalsContact O-CB 3.29Å; E408-S411 WeakPolarHBondContact O-CB 2.99Å; E408-S411 PolarHBondContact O-N 3.28Å; E408-Y455 HydrophobicContact CB-CE1 3.78Å; E408-R632 IonicContact OE1-CZ 2.81Å; E408-R632 VanDerWaalsContact OE1-CZ 3.27Å; E408-R632 IonicContact OE1-NH1 3.5Å; E408-R632 PolarHBondContact OE1-NH1 2.82Å; E408-R632 IonicContact OE1-NH2 3.27Å; E408-R632 PolarHBondContact OE1-NH2 3.5Å; E408-R632 IonicContact OE2-CZ 2.71Å; E408-R632 IonicContact OE2-NH1 3.53Å; E408-R632 PolarHBondContact OE2-NH1 3.36Å; E408-R632 IonicContact OE2-NH2 3.63Å
409	Q	97.3	Very high	97.9	Very high	126 Å²	126	46.1 Å²	46.1	59%	0.589	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	141.7	177.8	-68.8	-172.6	-24.2	0	0	111.5	R371 S411 Y455	R371-Q409 PolarHBondContact NH1-O 2.66Å; Q409-S411 PolarHBondContact O-N 2.7Å; Q409-Y455 WeakPolarHBondContact O-CD1 3.43Å
410	F	97.9	Very high	97.9	Very high	85 Å²	85	40.9 Å²	40.9	37%	0.373	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	9.1	179.1	-44.4	-50.8	0	0	0	115.3	F211 E408 Y455 W456 D457	F211-F410 HydrophobicContact CE1-CD1 4.03Å; F211-F410 HydrophobicContact CE1-CD2 4.08Å; F211-F410 HydrophobicContact CE1-CE1 4.11Å; F211-F410 HydrophobicContact CE1-CE2 4.14Å; F211-F410 HydrophobicContact CE1-CG 4.03Å; F211-F410 HydrophobicContact CE1-CZ 4.15Å; F211-F410 AromaticContact CZ-CD1 3.67Å; F211-F410 HydrophobicContact CZ-CD1 3.67Å; F211-F410 AromaticContact CZ-CE1 3.6Å; F211-F410 HydrophobicContact CZ-CE1 3.6Å; F211-F410 HydrophobicContact CZ-CE2 4.43Å; F211-F410 HydrophobicContact CZ-CG 4.15Å; F211-F410 AromaticContact CZ-CZ 4Å; F211-F410 HydrophobicContact CZ-CZ 4Å; E408-F410 PolarHBondContact O-N 3.45Å; F410-Y455 CarbonylContact O-C 3.59Å; F410-Y455 WeakPolarHBondContact O-CA 3.35Å; F410-W456 HydrophobicContact CB-CB 4.09Å; F410-W456 HydrophobicContact CB-CG 4.45Å; F410-W456 PolarHBondContact O-N 2.92Å; F410-D457 WeakPolarHBondContact CD2-OD2 3.47Å
411	S	98.1	Very high	97.8	Very high	32 Å²	32	39.6 Å²	39.6	22%	0.224	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	139.8	178.2	-170.6	0	0	0	0	112	R405 E408 Q409 Q454	R405-S411 WeakPolarHBondContact O-CB 3.15Å; R405-S411 PolarHBondContact O-OG 3.12Å; E408-S411 VanDerWaalsContact O-CB 3.29Å; E408-S411 WeakPolarHBondContact O-CB 2.99Å; E408-S411 PolarHBondContact O-N 3.28Å; Q409-S411 PolarHBondContact O-N 2.7Å; S411-Q454 CarbonylContact C-O 3.42Å
412	S	97.2	Very high	97.7	Very high	57 Å²	57	39.6 Å²	39.6	40%	0.399	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	21.3	178.9	-168.9	0	0	0	0	111.5	Q454	S412-Q454 PolarHBondContact N-O 3.34Å
413	G	97.1	Very high	97.5	Very high	26 Å²	26	37.6 Å²	37.6	27%	0.268	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.7	-176.8	-179.1	0	0	0	0	0	113.7	Q454	G413-Q454 PolarHBondContact O-N 3.25Å
414	P	98.1	Very high	97.2	Very high	36 Å²	36	35 Å²	35	23%	0.234	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	154.1	179.5	28.9	-32.7	0	0	0	112.3	Y258 F416 G452	Y258-P414 HydrophobicContact CD1-CB 4.44Å; Y258-P414 HydrophobicContact CD1-CG 3.95Å; Y258-P414 HydrophobicContact CE1-CG 4.02Å; P414-F416 WeakPolarHBondContact CB-O 3.49Å; P414-G452 VanDerWaalsContact CA-O 3.28Å; P414-G452 WeakPolarHBondContact CA-O 3.33Å
415	S	98.4	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-89.3	-9.5	178.6	58.6	0	0	0	0	114.4	Y258 G452 G453 T460 V532	Y258-S415 VanDerWaalsContact CB-C 3.42Å; Y258-S415 VanDerWaalsContact CB-O 3.26Å; Y258-S415 WeakPolarHBondContact CB-O 3.49Å; S415-G452 PolarHBondContact N-O 2.73Å; S415-G452 WeakPolarHBondContact OG-CA 3.4Å; S415-G452 PolarHBondContact OG-O 3.48Å; S415-G453 PolarHBondContact OG-N 3.16Å; S415-T460 PolarHBondContact OG-O 3.23Å; S415-V532 WeakPolarHBondContact O-CG1 3.12Å
416	F	96.9	Very high	96.7	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.039	20%	0.199	C	C	.	.	S	Bend	trans	-165	175.8	168.3	52.6	-83.3	0	0	0	109.2	Y81 Y258 P414 T418 D450 D461 V532	Y81-F416 HydrophobicContact CE1-CB 4.47Å; Y81-F416 WeakPolarHBondContact OH-CB 3.34Å; Y258-F416 VanDerWaalsContact CG-CA 3.47Å; P414-F416 WeakPolarHBondContact CB-O 3.49Å; F416-T418 PolarHBondContact O-N 3.18Å; F416-D450 VanDerWaalsContact CZ-OD1 3.24Å; F416-D450 WeakPolarHBondContact CZ-OD1 3.31Å; F416-D461 HydrophobicContact CE1-CB 4.42Å; F416-D461 WeakPolarHBondContact CE1-OD1 3.49Å; F416-D461 WeakPolarHBondContact CZ-OD1 3.28Å; F416-V532 HydrophobicContact CB-CG1 4.47Å; F416-V532 HydrophobicContact CD1-CB 4.4Å; F416-V532 HydrophobicContact CD1-CG1 4.04Å; F416-V532 HydrophobicContact CD1-CG2 4Å; F416-V532 HydrophobicContact CE1-CG2 4.13Å
417	E	95.5	Very high	96.3	Very high	94 Å²	94	32.8 Å²	32.8	44%	0.439	18%	0.178	S	C	.	.			trans	-68.4	121.2	174.7	-165	176.5	-150.6	0	0	110.8	Y258 I419 S432	Y258-E417 HydrophobicContact CE2-CB 4.24Å; Y258-E417 WeakPolarHBondContact OH-CB 3.5Å; E417-I419 PolarHBondContact O-N 3.11Å; E417-S432 WeakPolarHBondContact OE2-CB 3.29Å; E417-S432 PolarHBondContact OE2-OG 3.23Å
418	T	97.9	Very high	95.7	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.025	18%	0.18	C	C	.	.			trans	-60.8	121.2	-177.4	-74.5	0	0	0	0	111.8	A398 V401 D402 F416 S420 L449 S451	A398-T418 HydrophobicContact CB-CG2 3.66Å; V401-T418 HydrophobicContact CG1-CG2 3.9Å; D402-T418 PolarHBondContact OD1-OG1 3.06Å; F416-T418 PolarHBondContact O-N 3.18Å; T418-S420 PolarHBondContact O-N 3.47Å; T418-L449 HydrophobicContact CG2-CD1 3.9Å; T418-S451 WeakPolarHBondContact OG1-CB 3.27Å
419	I	97.4	Very high	94.7	Very high	15 Å²	15	33.4 Å²	33.4	8%	0.077	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.5	171	-64.6	172.7	0	0	0	107.2	E417 Y431 L448 L449 D450	E417-I419 PolarHBondContact O-N 3.11Å; I419-Y431 WeakPolarHBondContact CA-O 3.31Å; I419-Y431 WeakPolarHBondContact CB-O 3.4Å; I419-Y431 WeakPolarHBondContact CG1-O 3.38Å; I419-Y431 VanDerWaalsContact CG2-O 3.28Å; I419-Y431 WeakPolarHBondContact CG2-O 3.24Å; I419-L448 HydrophobicContact CG2-CD2 3.74Å; I419-L449 CarbonylContact O-C 3.37Å; I419-L449 WeakPolarHBondContact O-CA 3.47Å; I419-D450 HydrophobicContact CB-CB 3.95Å; I419-D450 HydrophobicContact CD1-CB 4.35Å; I419-D450 HydrophobicContact CG2-CB 4.27Å; I419-D450 PolarHBondContact N-O 2.63Å; I419-D450 PolarHBondContact O-N 3.19Å
420	S	98.2	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	105.4	177.6	170	0	0	0	0	107.3	E394 T418 Y431 Y447	E394-S420 WeakPolarHBondContact CA-OG 3.5Å; E394-S420 VanDerWaalsContact CB-O 3.23Å; E394-S420 WeakPolarHBondContact CB-O 3.24Å; E394-S420 VanDerWaalsContact CG-O 3.28Å; E394-S420 WeakPolarHBondContact CG-O 3.41Å; E394-S420 VanDerWaalsContact O-CB 3.24Å; E394-S420 WeakPolarHBondContact O-CB 3.46Å; E394-S420 PolarHBondContact O-OG 3.25Å; T418-S420 PolarHBondContact O-N 3.47Å; S420-Y431 WeakPolarHBondContact O-CE1 3.43Å; S420-Y447 WeakPolarHBondContact CB-OH 3.36Å; S420-Y447 WeakPolarHBondContact OG-CE2 3.16Å; S420-Y447 PolarHBondContact OG-OH 3.3Å
421	A	96.9	Very high	93.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	124.3	-162.3	0	0	0	0	0	112.5	N425 A426 Y431 Y447 L448	A421-N425 HydrophobicContact CB-CB 4.21Å; A421-A426 HydrophobicContact CB-CB 3.94Å; A421-Y431 HydrophobicContact CB-CD1 3.69Å; A421-Y431 HydrophobicContact CB-CE1 4.23Å; A421-Y447 WeakPolarHBondContact O-CA 3.34Å; A421-Y447 WeakPolarHBondContact O-CD2 3.29Å; A421-L448 PolarHBondContact N-O 3.39Å; A421-L448 PolarHBondContact O-N 2.89Å
422	S	96.6	Very high	92.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130	178.7	-167	0	0	0	0	111.5	E394 L424 N425 R439 E445	E394-S422 PolarHBondContact OE1-N 2.95Å; S422-L424 PolarHBondContact O-N 3.15Å; S422-N425 PolarHBondContact O-N 3.15Å; S422-R439 PolarHBondContact O-NE 3.24Å; S422-E445 PolarHBondContact OG-OE2 2.95Å
423	G	95	Very high	92.6	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.031	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	56.4	-121.8	174.9	0	0	0	0	0	112.1	N425 A426 M446 E563 F564	G423-N425 PolarHBondContact O-N 2.7Å; G423-N425 VanDerWaalsContact O-N 3.13Å; G423-A426 VanDerWaalsContact O-CB 3.31Å; G423-A426 WeakPolarHBondContact O-CB 3.48Å; G423-A426 PolarHBondContact O-N 2.72Å; G423-M446 PolarHBondContact N-O 3.28Å; G423-E563 CarbonylContact C-O 3.47Å; G423-F564 WeakPolarHBondContact O-CA 3.45Å
424	L	92	Very high	92.2	Very high	70 Å²	70	27.5 Å²	27.5	37%	0.366	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-58.5	-28.7	-175.3	69.9	98.2	0	0	0	114.1	S422 A426 A427 G562 E563	S422-L424 PolarHBondContact O-N 3.15Å; L424-A426 VanDerWaalsContact C-N 3.28Å; L424-A426 PolarHBondContact O-N 3.46Å; L424-A427 WeakPolarHBondContact O-CB 3.07Å; L424-A427 PolarHBondContact O-N 2.96Å; L424-G562 WeakPolarHBondContact CB-O 3.33Å; L424-E563 PolarHBondContact N-O 3.32Å; L424-E563 VanDerWaalsContact N-O 3.12Å
425	N	93.1	Very high	91.7	Very high	19 Å²	19	33.1 Å²	33.1	10%	0.102	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-68.8	-29.4	176.8	-78.6	-7.9	0	0	0	111.5	E394 A421 S422 G423 A427 L428 Y431 R439	E394-N425 VanDerWaalsContact CD-ND2 3.34Å; E394-N425 VanDerWaalsContact OE1-CB 3.31Å; E394-N425 WeakPolarHBondContact OE1-CB 3.24Å; E394-N425 PolarHBondContact OE1-ND2 3.41Å; E394-N425 PolarHBondContact OE2-ND2 3.38Å; A421-N425 HydrophobicContact CB-CB 4.21Å; S422-N425 PolarHBondContact O-N 3.15Å; G423-N425 PolarHBondContact O-N 2.7Å; G423-N425 VanDerWaalsContact O-N 3.13Å; N425-A427 PolarHBondContact O-N 3.07Å; N425-L428 WeakPolarHBondContact O-CB 3.41Å; N425-L428 PolarHBondContact O-N 2.84Å; N425-L428 VanDerWaalsContact O-N 3.07Å; N425-Y431 HydrophobicContact CB-CD1 3.91Å; N425-Y431 HydrophobicContact CB-CD2 4.38Å; N425-Y431 HydrophobicContact CB-CE1 3.82Å; N425-Y431 HydrophobicContact CB-CE2 4.32Å; N425-Y431 HydrophobicContact CB-CG 4.18Å; N425-Y431 PolarHBondContact ND2-OH 3.03Å; N425-R439 WeakPolarHBondContact ND2-CD 3.22Å; N425-R439 WeakPolarHBondContact ND2-CG 3.21Å
426	A	94.1	Very high	91.2	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.017	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-68.3	-19.5	176.8	0	0	0	0	0	112.6	A421 G423 L424 L428 L448 Y559 G565	A421-A426 HydrophobicContact CB-CB 3.94Å; G423-A426 VanDerWaalsContact O-CB 3.31Å; G423-A426 WeakPolarHBondContact O-CB 3.48Å; G423-A426 PolarHBondContact O-N 2.72Å; L424-A426 VanDerWaalsContact C-N 3.28Å; L424-A426 PolarHBondContact O-N 3.46Å; A426-L428 PolarHBondContact O-N 2.92Å; A426-L448 HydrophobicContact CB-CB 3.82Å; A426-Y559 WeakPolarHBondContact O-CD1 3.5Å; A426-G565 VanDerWaalsContact O-CA 3.29Å; A426-G565 WeakPolarHBondContact O-CA 3.28Å
427	A	89.1	Confident	90.6	Very high	9 Å²	9	44.7 Å²	44.7	7%	0.074	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-70.1	-13.9	173	0	0	0	0	0	112.8	L424 N425 Y559 K560	L424-A427 WeakPolarHBondContact O-CB 3.07Å; L424-A427 PolarHBondContact O-N 2.96Å; N425-A427 PolarHBondContact O-N 3.07Å; A427-Y559 WeakPolarHBondContact O-CB 3.18Å; A427-K560 WeakPolarHBondContact CB-O 3.44Å
428	L	84.2	Confident	90.5	Very high	92 Å²	92	42.9 Å²	42.9	48%	0.482	22%	0.221	S	C	.	.	S	Bend	trans	-93.4	106.5	175.8	-57.7	175.7	0	0	0	108.7	N425 A426 H430 Y431	N425-L428 WeakPolarHBondContact O-CB 3.41Å; N425-L428 PolarHBondContact O-N 2.84Å; N425-L428 VanDerWaalsContact O-N 3.07Å; A426-L428 PolarHBondContact O-N 2.92Å; L428-H430 PolarHBondContact O-N 3.32Å; L428-Y431 HydrophobicContact CD1-CD2 4.27Å; L428-Y431 PolarHBondContact O-N 3.49Å
429	A	76.8	Confident	90.3	Very high	22 Å²	22	46.5 Å²	46.5	18%	0.182	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30	-170.9	0	0	0	0	0	114.7	Y559 R567	A429-Y559 HydrophobicContact CB-CE1 4.05Å; A429-Y559 HydrophobicContact CB-CE2 4.24Å; A429-R567 PolarHBondContact O-NH1 3.12Å; A429-R567 VanDerWaalsContact O-NH1 3.13Å
430	H	79.8	Confident	90.3	Very high	86 Å²	86	52.6 Å²	52.6	40%	0.398	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	38.4	-175.7	-69.6	-150.1	0	0	0	112.1	R116 Y117 L428	R116-H430 PolarHBondContact NH1-CE1 2.87Å; R116-H430 PolarHBondContact NH1-ND1 3.21Å; Y117-H430 PolarHBondContact OH-ND1 2.78Å; L428-H430 PolarHBondContact O-N 3.32Å
431	Y	87.6	Confident	90.3	Very high	30 Å²	30	52.9 Å²	52.9	12%	0.118	26%	0.261	C	S	.	.			trans	-83	124.5	177.5	169.1	-95.3	0	0	0	112.3	E394 I419 S420 A421 N425 L428 P433 L437	E394-Y431 PolarHBondContact OE2-OH 2.68Å; I419-Y431 WeakPolarHBondContact CA-O 3.31Å; I419-Y431 WeakPolarHBondContact CB-O 3.4Å; I419-Y431 WeakPolarHBondContact CG1-O 3.38Å; I419-Y431 VanDerWaalsContact CG2-O 3.28Å; I419-Y431 WeakPolarHBondContact CG2-O 3.24Å; S420-Y431 WeakPolarHBondContact O-CE1 3.43Å; A421-Y431 HydrophobicContact CB-CD1 3.69Å; A421-Y431 HydrophobicContact CB-CE1 4.23Å; N425-Y431 HydrophobicContact CB-CD1 3.91Å; N425-Y431 HydrophobicContact CB-CD2 4.38Å; N425-Y431 HydrophobicContact CB-CE1 3.82Å; N425-Y431 HydrophobicContact CB-CE2 4.32Å; N425-Y431 HydrophobicContact CB-CG 4.18Å; N425-Y431 PolarHBondContact ND2-OH 3.03Å; L428-Y431 HydrophobicContact CD1-CD2 4.27Å; L428-Y431 PolarHBondContact O-N 3.49Å; Y431-P433 HydrophobicContact CE1-CB 4.04Å; Y431-P433 HydrophobicContact CE1-CG 4.49Å; Y431-L437 PolarHBondContact OH-O 3.18Å
432	S	87.6	Confident	90.2	Very high	30 Å²	30	54.7 Å²	54.7	21%	0.21	27%	0.274	C	S	.	.			trans	-115.1	130	167.1	-54.2	0	0	0	0	109.6	E417	E417-S432 WeakPolarHBondContact OE2-CB 3.29Å; E417-S432 PolarHBondContact OE2-OG 3.23Å
433	P	91.6	Very high	90.2	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.052	28%	0.282	C	S	.	.			trans	-73.3	145.9	175.8	31.5	-35.3	0	0	0	110.9	E394 F395 A398 Y431 N438	E394-P433 HydrophobicContact CB-CB 3.63Å; E394-P433 HydrophobicContact CB-CG 3.92Å; F395-P433 HydrophobicContact CB-CB 4.26Å; A398-P433 HydrophobicContact CB-CG 4.28Å; Y431-P433 HydrophobicContact CE1-CB 4.04Å; Y431-P433 HydrophobicContact CE1-CG 4.49Å; P433-N438 HydrophobicContact CB-CB 4.14Å
434	T	88.5	Confident	90.3	Very high	49 Å²	49	61.7 Å²	61.7	30%	0.301	31%	0.313	S	S	.	.			trans	-111	172	167.2	80.6	0	0	0	0	110.6	F395 E436 L437 N438	F395-T434 VanDerWaalsContact CD2-C 3.43Å; T434-E436 PolarHBondContact O-N 2.85Å; T434-E436 PolarHBondContact OG1-N 3.41Å; T434-E436 PolarHBondContact OG1-OE2 3.4Å; T434-L437 PolarHBondContact N-O 3.36Å; T434-L437 CarbonylContact O-C 3.59Å; T434-L437 PolarHBondContact O-N 3.36Å; T434-L437 PolarHBondContact OG1-N 2.95Å; T434-N438 PolarHBondContact O-ND2 2.91Å
435	K	89.3	Confident	90.5	Very high	153 Å²	153	60.8 Å²	60.8	67%	0.665	31%	0.307	S	S	*	.	S	Bend	trans	-60	-34	174	-176	177.4	-177.9	177.7	0	112.1	F395 N438	F395-K435 HydrophobicContact CD1-CB 4.49Å; F395-K435 HydrophobicContact CE1-CB 4.18Å; F395-K435 HydrophobicContact CE2-CB 4.43Å; F395-K435 HydrophobicContact CZ-CB 4.16Å; K435-N438 PolarHBondContact O-ND2 3.26Å; K435-N438 VanDerWaalsContact O-ND2 3.12Å
436	E	86.2	Confident	90.7	Very high	147 Å²	147	59.9 Å²	59.9	69%	0.687	30%	0.302	S	S	*	.	S	Bend	trans	-87.1	-30	-179.6	-59.7	69.2	-147.2	0	0	112.5	T434	T434-E436 PolarHBondContact O-N 2.85Å; T434-E436 PolarHBondContact OG1-N 3.41Å; T434-E436 PolarHBondContact OG1-OE2 3.4Å
437	L	84.9	Confident	90.9	Very high	106 Å²	106	59.9 Å²	59.9	56%	0.555	30%	0.301	S	S	*	.	S	Bend	trans	-123.4	92.9	-175.6	-64.8	173.6	0	0	0	110.3	Y431 T434	Y431-L437 PolarHBondContact OH-O 3.18Å; T434-L437 PolarHBondContact N-O 3.36Å; T434-L437 CarbonylContact O-C 3.59Å; T434-L437 PolarHBondContact O-N 3.36Å; T434-L437 PolarHBondContact OG1-N 2.95Å
438	N	93.3	Very high	91.3	Very high	55 Å²	55	59.5 Å²	59.5	29%	0.294	30%	0.298	S	S	.	.			trans	-151	161.1	174.4	58.5	72.9	0	0	0	111.5	E394 F395 P433 T434 K435	E394-N438 HydrophobicContact CB-CB 4.17Å; E394-N438 WeakPolarHBondContact OE2-CA 3.39Å; F395-N438 HydrophobicContact CB-CB 4.03Å; P433-N438 HydrophobicContact CB-CB 4.14Å; T434-N438 PolarHBondContact O-ND2 2.91Å; K435-N438 PolarHBondContact O-ND2 3.26Å; K435-N438 VanDerWaalsContact O-ND2 3.12Å
439	R	94.3	Very high	92	Very high	80 Å²	80	55.3 Å²	55.3	30%	0.302	28%	0.276	S	S	.	.			trans	-112.2	151.3	171.4	-63.5	171	60.8	79.5	-3.2	110.3	D393 E394 S422 N425 E445	D393-R439 CarbonylContact C-O 3.58Å; D393-R439 VanDerWaalsContact CA-O 3.25Å; D393-R439 WeakPolarHBondContact CA-O 3.47Å; D393-R439 VanDerWaalsContact CB-O 3.27Å; D393-R439 WeakPolarHBondContact CB-O 3.35Å; E394-R439 HydrophobicContact CG-CB 4.41Å; E394-R439 WeakPolarHBondContact CG-O 3.46Å; E394-R439 PolarHBondContact N-O 3.4Å; E394-R439 PolarHBondContact OE2-N 2.98Å; S422-R439 PolarHBondContact O-NE 3.24Å; N425-R439 WeakPolarHBondContact ND2-CD 3.22Å; N425-R439 WeakPolarHBondContact ND2-CG 3.21Å; R439-E445 IonicContact NH2-OE1 2.69Å; R439-E445 PolarHBondContact NH2-OE1 3.06Å; R439-E445 IonicContact NH2-OE2 3.46Å
440	K	97.4	Very high	93.1	Very high	143 Å²	143	54.9 Å²	54.9	62%	0.622	27%	0.271	S	S	*	.	B	Isolated β-bridge	trans	-67.1	138.8	165	-69.4	-168.1	174.3	-164.6	0	110.1
441	L	97.6	Very high	94	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	25%	0.252	C	S	.	.			trans	-70.3	147.2	168.7	-87.5	62.8	0	0	0	109.5	L383 V387 V392 D393 E394 Y447 W468	L383-L441 HydrophobicContact CD2-CD2 3.72Å; V387-L441 HydrophobicContact CG1-CB 4.04Å; V387-L441 HydrophobicContact CG2-CB 3.93Å; V387-L441 HydrophobicContact CG2-CD2 3.76Å; V392-L441 HydrophobicContact CG1-CD2 4.05Å; V392-L441 PolarHBondContact O-N 3.06Å; D393-L441 VanDerWaalsContact C-CD1 3.44Å; E394-L441 HydrophobicContact CB-CD1 4.41Å; E394-L441 HydrophobicContact CG-CD1 3.89Å; L441-Y447 HydrophobicContact CD1-CD2 4.08Å; L441-Y447 HydrophobicContact CD1-CE2 3.98Å; L441-Y447 HydrophobicContact CD2-CD1 4.27Å; L441-Y447 HydrophobicContact CD2-CD2 3.63Å; L441-Y447 HydrophobicContact CD2-CE1 4.31Å; L441-Y447 HydrophobicContact CD2-CE2 3.7Å; L441-Y447 HydrophobicContact CD2-CG 3.94Å; L441-Y447 HydrophobicContact CG-CD2 3.7Å; L441-Y447 HydrophobicContact CG-CE2 4Å; L441-Y447 HydrophobicContact CG-CG 4.3Å; L441-W468 HydrophobicContact CD2-CH2 4.13Å; L441-W468 HydrophobicContact CD2-CZ3 4.32Å
442	S	95.8	Very high	94.5	Very high	38 Å²	38	49.3 Å²	49.3	27%	0.266	25%	0.246	S	C	.	.			trans	-131.9	146	178.9	179.5	0	0	0	0	110.5	D444 E445	S442-D444 PolarHBondContact O-N 3.36Å; S442-D444 PolarHBondContact OG-N 2.64Å; S442-D444 VanDerWaalsContact OG-N 3.14Å; S442-E445 PolarHBondContact O-N 3.32Å
443	S	96.6	Very high	95	Very high	25 Å²	25	47.9 Å²	47.9	18%	0.175	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.2	170.7	-58.2	0	0	0	0	112.7	H467 G469	S443-H467 PolarHBondContact O-CE1 2.88Å; S443-G469 WeakPolarHBondContact O-CA 3.09Å; S443-G469 PolarHBondContact O-N 3.02Å
444	D	95.6	Very high	95.4	Very high	125 Å²	125	47.7 Å²	47.7	67%	0.668	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-9.5	-177.5	-62.2	-42.9	0	0	0	113.1	S442 H467	S442-D444 PolarHBondContact O-N 3.36Å; S442-D444 PolarHBondContact OG-N 2.64Å; S442-D444 VanDerWaalsContact OG-N 3.14Å; D444-H467 VanDerWaalsContact C-NE2 3.3Å; D444-H467 PolarHBondContact O-NE2 2.99Å
445	E	96.1	Very high	95.8	Very high	51 Å²	51	45.3 Å²	45.3	24%	0.238	22%	0.22	C	C	.	.	S	Bend	trans	-105.9	155.7	179.3	-65.3	-173.5	156	0	0	111.5	S422 R439 S442 H467	S422-E445 PolarHBondContact OG-OE2 2.95Å; R439-E445 IonicContact NH2-OE1 2.69Å; R439-E445 PolarHBondContact NH2-OE1 3.06Å; R439-E445 IonicContact NH2-OE2 3.46Å; S442-E445 PolarHBondContact O-N 3.32Å; E445-H467 VanDerWaalsContact C-CD2 3.47Å; E445-H467 PolarHBondContact O-CD2 3.33Å
446	M	97.9	Very high	96.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.202	C	C	.	.			trans	-70.9	141.5	163.6	-78	177.1	157.3	0	0	109.5	G423 T465 V466 Q475 F564 I566 L600	G423-M446 PolarHBondContact N-O 3.28Å; M446-T465 HydrophobicContact CB-CG2 4.35Å; M446-V466 WeakPolarHBondContact CA-O 3.46Å; M446-Q475 HydrophobicContact CE-CB 3.41Å; M446-Q475 VanDerWaalsContact CE-CB 3.41Å; M446-Q475 HydrophobicContact CE-CG 3.59Å; M446-Q475 HydrophobicContact SD-CB 4.32Å; M446-Q475 HydrophobicContact SD-CG 3.82Å; M446-F564 HydrophobicContact CB-CB 4.29Å; M446-F564 HydrophobicContact CE-CD2 4.43Å; M446-F564 HydrophobicContact SD-CB 3.85Å; M446-F564 HydrophobicContact SD-CD2 3.37Å; M446-F564 WeakPolarHBondContact SD-CD2 3.21Å; M446-F564 HydrophobicContact SD-CE2 4.06Å; M446-F564 HydrophobicContact SD-CG 3.71Å; M446-I566 HydrophobicContact CE-CD1 3.88Å; M446-I566 HydrophobicContact CE-CG1 4.19Å; M446-I566 HydrophobicContact SD-CD1 4.2Å; M446-I566 HydrophobicContact SD-CG1 3.96Å; M446-L600 HydrophobicContact CE-CD1 4.09Å; M446-L600 HydrophobicContact CE-CD2 3.36Å; M446-L600 HydrophobicContact CE-CG 4.36Å
447	Y	98.5	Very high	96.7	Very high	1 Å²	1	35 Å²	35	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.3	172.2	174.1	-108.5	0	0	0	109.6	Y379 L383 S420 A421 L441 L449 T465 V466 W468	Y379-Y447 HydrophobicContact CE1-CE1 4.24Å; Y379-Y447 PolarHBondContact OH-OH 3.18Å; L383-Y447 HydrophobicContact CD1-CD1 4.06Å; L383-Y447 HydrophobicContact CD1-CE1 3.62Å; S420-Y447 WeakPolarHBondContact CB-OH 3.36Å; S420-Y447 WeakPolarHBondContact OG-CE2 3.16Å; S420-Y447 PolarHBondContact OG-OH 3.3Å; A421-Y447 WeakPolarHBondContact O-CA 3.34Å; A421-Y447 WeakPolarHBondContact O-CD2 3.29Å; L441-Y447 HydrophobicContact CD1-CD2 4.08Å; L441-Y447 HydrophobicContact CD1-CE2 3.98Å; L441-Y447 HydrophobicContact CD2-CD1 4.27Å; L441-Y447 HydrophobicContact CD2-CD2 3.63Å; L441-Y447 HydrophobicContact CD2-CE1 4.31Å; L441-Y447 HydrophobicContact CD2-CE2 3.7Å; L441-Y447 HydrophobicContact CD2-CG 3.94Å; L441-Y447 HydrophobicContact CG-CD2 3.7Å; L441-Y447 HydrophobicContact CG-CE2 4Å; L441-Y447 HydrophobicContact CG-CG 4.3Å; Y447-L449 HydrophobicContact CE1-CB 3.79Å; Y447-L449 WeakPolarHBondContact OH-CD1 3.39Å; Y447-T465 CarbonylContact O-C 3.54Å; Y447-T465 VanDerWaalsContact O-CA 3.29Å; Y447-T465 WeakPolarHBondContact O-CA 3.49Å; Y447-V466 HydrophobicContact CD1-CG2 3.78Å; Y447-V466 HydrophobicContact CG-CG2 4.39Å; Y447-V466 PolarHBondContact N-O 3.28Å; Y447-V466 PolarHBondContact O-N 2.65Å; Y447-W468 AromaticContact CD1-CH2 3.57Å; Y447-W468 HydrophobicContact CD1-CH2 3.57Å; Y447-W468 HydrophobicContact CD1-CZ2 4.41Å; Y447-W468 HydrophobicContact CD1-CZ3 4.34Å; Y447-W468 HydrophobicContact CE1-CH2 4.46Å; Y447-W468 AromaticContact CG-CH2 3.81Å; Y447-W468 HydrophobicContact CG-CH2 3.81Å; Y447-W468 HydrophobicContact CG-CZ3 4.13Å
448	L	98.7	Very high	97.3	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.7	175.8	-174.8	158.4	0	0	0	108.4	I419 A421 A426 D450 T463 R567	I419-L448 HydrophobicContact CG2-CD2 3.74Å; A421-L448 PolarHBondContact N-O 3.39Å; A421-L448 PolarHBondContact O-N 2.89Å; A426-L448 HydrophobicContact CB-CB 3.82Å; L448-D450 HydrophobicContact CD2-CB 4.07Å; L448-T463 HydrophobicContact CD2-CG2 3.89Å; L448-T463 HydrophobicContact CG-CG2 4Å; L448-R567 HydrophobicContact CD1-CB 4.08Å
449	L	98.6	Very high	97.6	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.1	169.3	177.3	78.3	0	0	0	108.5	Y379 V401 T418 I419 Y447 T463 R464	Y379-L449 HydrophobicContact CD1-CD2 3.66Å; Y379-L449 HydrophobicContact CE1-CD1 3.98Å; Y379-L449 HydrophobicContact CE1-CD2 3.57Å; Y379-L449 HydrophobicContact CE1-CG 4.26Å; V401-L449 HydrophobicContact CG1-CD1 4.15Å; V401-L449 HydrophobicContact CG2-CD2 4.42Å; T418-L449 HydrophobicContact CG2-CD1 3.9Å; I419-L449 CarbonylContact O-C 3.37Å; I419-L449 WeakPolarHBondContact O-CA 3.47Å; Y447-L449 HydrophobicContact CE1-CB 3.79Å; Y447-L449 WeakPolarHBondContact OH-CD1 3.39Å; L449-T463 CarbonylContact O-C 3.53Å; L449-T463 VanDerWaalsContact O-CA 3.23Å; L449-T463 WeakPolarHBondContact O-CA 3.28Å; L449-T463 WeakPolarHBondContact O-CG2 3.32Å; L449-R464 PolarHBondContact N-O 2.94Å; L449-R464 PolarHBondContact O-N 3.5Å
450	D	98.8	Very high	97.8	Very high	13 Å²	13	23.5 Å²	23.5	7%	0.07	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.1	166.9	178.7	16.6	0	0	0	109.6	F416 I419 L448 T463 R567	F416-D450 VanDerWaalsContact CZ-OD1 3.24Å; F416-D450 WeakPolarHBondContact CZ-OD1 3.31Å; I419-D450 HydrophobicContact CB-CB 3.95Å; I419-D450 HydrophobicContact CD1-CB 4.35Å; I419-D450 HydrophobicContact CG2-CB 4.27Å; I419-D450 PolarHBondContact N-O 2.63Å; I419-D450 PolarHBondContact O-N 3.19Å; L448-D450 HydrophobicContact CD2-CB 4.07Å; D450-T463 HydrophobicContact CB-CG2 3.74Å; D450-T463 WeakPolarHBondContact CB-OG1 3.22Å; D450-T463 PolarHBondContact OD1-OG1 2.69Å; D450-T463 PolarHBondContact OD2-OG1 3.21Å; D450-R567 VanDerWaalsContact CG-NH2 3.31Å; D450-R567 IonicContact OD2-CZ 3.76Å; D450-R567 VanDerWaalsContact OD2-CZ 3.23Å; D450-R567 IonicContact OD2-NE 3.57Å; D450-R567 PolarHBondContact OD2-NE 2.9Å; D450-R567 IonicContact OD2-NH2 3.74Å; D450-R567 PolarHBondContact OD2-NH2 2.99Å
451	S	98.6	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	151	-168	63.4	0	0	0	0	111.8	R405 T418 I462	R405-S451 PolarHBondContact NH1-OG 3.27Å; R405-S451 PolarHBondContact NH2-O 3.23Å; R405-S451 PolarHBondContact NH2-OG 3.26Å; T418-S451 WeakPolarHBondContact OG1-CB 3.27Å; S451-I462 PolarHBondContact N-O 2.85Å; S451-I462 WeakPolarHBondContact O-CG2 3.42Å; S451-I462 PolarHBondContact O-N 3.05Å
452	G	98.6	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.			trans	-151.1	173.5	177.8	0	0	0	0	0	113.2	P414 S415 T460	P414-G452 VanDerWaalsContact CA-O 3.28Å; P414-G452 WeakPolarHBondContact CA-O 3.33Å; S415-G452 PolarHBondContact N-O 2.73Å; S415-G452 WeakPolarHBondContact OG-CA 3.4Å; S415-G452 PolarHBondContact OG-O 3.48Å; G452-T460 VanDerWaalsContact CA-O 3.3Å; G452-T460 WeakPolarHBondContact CA-O 3.3Å
453	G	98.4	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.5	-175.8	0	0	0	0	0	112.7	S415 T459 T460	S415-G453 PolarHBondContact OG-N 3.16Å; G453-T459 WeakPolarHBondContact O-CA 3.46Å; G453-T460 PolarHBondContact N-OG1 3.07Å; G453-T460 PolarHBondContact O-N 3.23Å; G453-T460 PolarHBondContact O-OG1 2.98Å
454	Q	98.6	Very high	98.2	Very high	3 Å²	3	14.2 Å²	14.2	1%	0.014	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.4	163.6	-65.7	-67	1.9	0	0	109.1	Y258 S411 S412 G413 T459 F529 L530	Y258-Q454 WeakPolarHBondContact O-CG 3.4Å; Y258-Q454 PolarHBondContact O-NE2 3.46Å; S411-Q454 CarbonylContact C-O 3.42Å; S412-Q454 PolarHBondContact N-O 3.34Å; G413-Q454 PolarHBondContact O-N 3.25Å; Q454-T459 PolarHBondContact OE1-OG1 3.45Å; Q454-F529 HydrophobicContact CB-CD2 4.12Å; Q454-F529 HydrophobicContact CB-CE2 4.05Å; Q454-L530 PolarHBondContact NE2-O 3.02Å
455	Y	98.5	Very high	98.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.7	172.4	-57.3	-85.8	0	0	0	108.8	D372 E408 Q409 F410 D457 G458 T460 F529	D372-Y455 HydrophobicContact CB-CE2 4.26Å; D372-Y455 PolarHBondContact OD1-OH 3.22Å; E408-Y455 HydrophobicContact CB-CE1 3.78Å; Q409-Y455 WeakPolarHBondContact O-CD1 3.43Å; F410-Y455 CarbonylContact O-C 3.59Å; F410-Y455 WeakPolarHBondContact O-CA 3.35Å; Y455-D457 VanDerWaalsContact CB-OD1 3.25Å; Y455-D457 WeakPolarHBondContact CB-OD1 3.43Å; Y455-D457 PolarHBondContact O-N 3.36Å; Y455-G458 CarbonylContact C-O 3.48Å; Y455-G458 WeakPolarHBondContact CA-O 3.45Å; Y455-G458 WeakPolarHBondContact CB-O 3.22Å; Y455-G458 PolarHBondContact N-O 2.88Å; Y455-G458 CarbonylContact O-C 3.58Å; Y455-G458 PolarHBondContact O-N 2.99Å; Y455-T460 HydrophobicContact CD2-CG2 4.18Å; Y455-T460 HydrophobicContact CE2-CG2 3.97Å; Y455-F529 WeakPolarHBondContact O-CB 3.3Å; Y455-F529 WeakPolarHBondContact O-CD2 3.49Å; Y455-F529 WeakPolarHBondContact O-CG 3.25Å
456	W	97.8	Very high	98.5	Very high	76 Å²	76	6.4 Å²	6.4	29%	0.288	3%	0.028	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22	177.1	-65.6	9	0	0	0	112.8	F211 F410 F529	F211-W456 WeakPolarHBondContact CB-O 3.35Å; F211-W456 HydrophobicContact CD1-CB 4Å; F211-W456 HydrophobicContact CD2-CB 4.22Å; F211-W456 AromaticContact CD2-CE3 3.9Å; F211-W456 HydrophobicContact CD2-CE3 3.9Å; F211-W456 HydrophobicContact CE1-CB 4.18Å; F211-W456 HydrophobicContact CE2-CB 4.43Å; F211-W456 AromaticContact CE2-CE3 3.6Å; F211-W456 HydrophobicContact CE2-CE3 3.6Å; F211-W456 HydrophobicContact CE2-CZ3 4.3Å; F211-W456 HydrophobicContact CG-CB 4.02Å; F211-W456 HydrophobicContact CZ-CB 4.4Å; F211-W456 HydrophobicContact CZ-CE3 4.23Å; F410-W456 HydrophobicContact CB-CB 4.09Å; F410-W456 HydrophobicContact CB-CG 4.45Å; F410-W456 PolarHBondContact O-N 2.92Å; W456-F529 HydrophobicContact CB-CD1 4.44Å; W456-F529 HydrophobicContact CB-CE1 4.42Å; W456-F529 AromaticContact CD1-CE1 3.66Å; W456-F529 AromaticContact CD1-CZ 3.61Å; W456-F529 HydrophobicContact CG-CE1 4.14Å; W456-F529 HydrophobicContact CG-CZ 4.49Å
457	D	96.6	Very high	98.5	Very high	7 Å²	7	6.5 Å²	6.5	4%	0.037	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	10.9	175	58	7.1	0	0	0	115	F211 L364 L365 R371 F410 Y455 N528	F211-D457 HydrophobicContact CD1-CB 3.83Å; F211-D457 HydrophobicContact CE1-CB 4.16Å; L364-D457 CarbonylContact C-O 3.25Å; L364-D457 HydrophobicContact CB-CB 3.92Å; L364-D457 VanDerWaalsContact CB-O 3.3Å; L364-D457 WeakPolarHBondContact CB-O 2.94Å; L364-D457 HydrophobicContact CD2-CB 3.72Å; L364-D457 HydrophobicContact CG-CB 4.31Å; L364-D457 VanDerWaalsContact O-O 3.1Å; L365-D457 PolarHBondContact N-O 2.94Å; R371-D457 IonicContact CZ-OD1 3.56Å; R371-D457 IonicContact CZ-OD2 3.56Å; R371-D457 IonicContact NH1-OD1 3.98Å; R371-D457 PolarHBondContact NH1-OD1 3.33Å; R371-D457 IonicContact NH2-OD1 2.9Å; R371-D457 PolarHBondContact NH2-OD1 3.36Å; R371-D457 IonicContact NH2-OD2 3.27Å; R371-D457 PolarHBondContact NH2-OD2 3.2Å; F410-D457 WeakPolarHBondContact CD2-OD2 3.47Å; Y455-D457 VanDerWaalsContact CB-OD1 3.25Å; Y455-D457 WeakPolarHBondContact CB-OD1 3.43Å; Y455-D457 PolarHBondContact O-N 3.36Å; D457-N528 PolarHBondContact O-OD1 3.23Å
458	G	97.6	Very high	98.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	166	173.6	0	0	0	0	0	115.6	Y455 N528	Y455-G458 CarbonylContact C-O 3.48Å; Y455-G458 WeakPolarHBondContact CA-O 3.45Å; Y455-G458 WeakPolarHBondContact CB-O 3.22Å; Y455-G458 PolarHBondContact N-O 2.88Å; Y455-G458 CarbonylContact O-C 3.58Å; Y455-G458 PolarHBondContact O-N 2.99Å; G458-N528 VanDerWaalsContact CA-OD1 3.3Å; G458-N528 WeakPolarHBondContact CA-OD1 3.04Å; G458-N528 PolarHBondContact N-OD1 3.28Å
459	T	98.8	Very high	98.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.1	171.1	-53.2	0	0	0	0	108	H369 G453 Q454 I526 G527 F529 L530 V532	H369-T459 PolarHBondContact CE1-O 2.79Å; H369-T459 VanDerWaalsContact CE1-O 3.29Å; G453-T459 WeakPolarHBondContact O-CA 3.46Å; Q454-T459 PolarHBondContact OE1-OG1 3.45Å; T459-I526 WeakPolarHBondContact O-CG2 3.48Å; T459-G527 WeakPolarHBondContact CB-O 3.38Å; T459-G527 PolarHBondContact OG1-O 3.34Å; T459-F529 WeakPolarHBondContact OG1-CA 3.4Å; T459-F529 PolarHBondContact OG1-N 3.07Å; T459-F529 VanDerWaalsContact OG1-N 3.12Å; T459-L530 PolarHBondContact OG1-N 2.84Å; T459-L530 PolarHBondContact OG1-O 3.21Å; T459-V532 HydrophobicContact CG2-CB 3.96Å; T459-V532 HydrophobicContact CG2-CG2 4.16Å
460	T	98.9	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.			trans	-117.7	154.4	178.5	61.3	0	0	0	0	111.1	D372 S415 G452 G453 Y455	D372-T460 HydrophobicContact CB-CG2 3.76Å; D372-T460 VanDerWaalsContact CG-OG1 3.27Å; D372-T460 PolarHBondContact OD1-OG1 2.65Å; S415-T460 PolarHBondContact OG-O 3.23Å; G452-T460 VanDerWaalsContact CA-O 3.3Å; G452-T460 WeakPolarHBondContact CA-O 3.3Å; G453-T460 PolarHBondContact N-OG1 3.07Å; G453-T460 PolarHBondContact O-N 3.23Å; G453-T460 PolarHBondContact O-OG1 2.98Å; Y455-T460 HydrophobicContact CD2-CG2 4.18Å; Y455-T460 HydrophobicContact CE2-CG2 3.97Å
461	D	98.8	Very high	98.1	Very high	3 Å²	3	16 Å²	16	2%	0.016	9%	0.087	C	C	.	.			trans	-150.9	129	176.2	-158.6	-12.6	0	0	0	109.1	F416 H524 I526 V532 V571	F416-D461 HydrophobicContact CE1-CB 4.42Å; F416-D461 WeakPolarHBondContact CE1-OD1 3.49Å; F416-D461 WeakPolarHBondContact CZ-OD1 3.28Å; D461-H524 IonicContact OD2-CE1 3.5Å; D461-H524 PolarHBondContact OD2-CE1 3.48Å; D461-H524 VanDerWaalsContact OD2-CE1 3.25Å; D461-H524 IonicContact OD2-NE2 3.2Å; D461-H524 PolarHBondContact OD2-NE2 2.9Å; D461-I526 HydrophobicContact CB-CD1 4.04Å; D461-V532 HydrophobicContact CB-CG2 3.76Å; D461-V532 VanDerWaalsContact OD2-CG2 3.24Å; D461-V532 WeakPolarHBondContact OD2-CG2 3.46Å; D461-V571 HydrophobicContact CB-CG2 4.12Å; D461-V571 WeakPolarHBondContact O-CG2 3.44Å
462	I	98.8	Very high	98.1	Very high	7 Å²	7	18.6 Å²	18.6	4%	0.036	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	125	-177.5	-168.5	173.6	0	0	0	112.2	V376 S451 V594	V376-I462 HydrophobicContact CG2-CG2 4.13Å; S451-I462 PolarHBondContact N-O 2.85Å; S451-I462 WeakPolarHBondContact O-CG2 3.42Å; S451-I462 PolarHBondContact O-N 3.05Å; I462-V594 HydrophobicContact CD1-CB 3.73Å; I462-V594 HydrophobicContact CD1-CG2 3.55Å
463	T	98.9	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.1	169.1	-50.9	0	0	0	0	112.4	L448 L449 D450 R567 E569	L448-T463 HydrophobicContact CD2-CG2 3.89Å; L448-T463 HydrophobicContact CG-CG2 4Å; L449-T463 CarbonylContact O-C 3.53Å; L449-T463 VanDerWaalsContact O-CA 3.23Å; L449-T463 WeakPolarHBondContact O-CA 3.28Å; L449-T463 WeakPolarHBondContact O-CG2 3.32Å; D450-T463 HydrophobicContact CB-CG2 3.74Å; D450-T463 WeakPolarHBondContact CB-OG1 3.22Å; D450-T463 PolarHBondContact OD1-OG1 2.69Å; D450-T463 PolarHBondContact OD2-OG1 3.21Å; T463-R567 HydrophobicContact CG2-CB 3.74Å; T463-R567 HydrophobicContact CG2-CG 3.82Å; T463-R567 VanDerWaalsContact CG2-O 3.3Å; T463-R567 WeakPolarHBondContact CG2-O 3.4Å; T463-R567 PolarHBondContact OG1-NE 3.47Å; T463-E569 PolarHBondContact N-OE2 3.12Å; T463-E569 PolarHBondContact O-N 2.88Å; T463-E569 PolarHBondContact OG1-OE2 2.89Å
464	R	98.9	Very high	98	Very high	6 Å²	6	26 Å²	26	2%	0.023	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.5	165.6	-69	-67.6	177	-85.5	5.1	110.6	L449 E569 D570 V594 Y617	L449-R464 PolarHBondContact N-O 2.94Å; L449-R464 PolarHBondContact O-N 3.5Å; R464-E569 PolarHBondContact NH1-O 2.78Å; R464-D570 IonicContact CZ-OD1 3.6Å; R464-D570 IonicContact NH1-OD1 3.45Å; R464-D570 PolarHBondContact NH1-OD1 3.36Å; R464-D570 IonicContact NH2-OD1 2.74Å; R464-D570 PolarHBondContact NH2-OD1 3.25Å; R464-D570 IonicContact NH2-OD2 3.6Å; R464-V594 HydrophobicContact CG-CG1 4.01Å; R464-V594 VanDerWaalsContact CZ-O 3.28Å; R464-V594 PolarHBondContact NE-O 3.08Å; R464-V594 PolarHBondContact NH2-O 2.89Å; R464-Y617 PolarHBondContact NH2-OH 3.06Å
465	T	98.8	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.6	169.6	-52.3	0	0	0	0	109.1	M446 Y447 Y479 I566 R567 L600	M446-T465 HydrophobicContact CB-CG2 4.35Å; Y447-T465 CarbonylContact O-C 3.54Å; Y447-T465 VanDerWaalsContact O-CA 3.29Å; Y447-T465 WeakPolarHBondContact O-CA 3.49Å; T465-Y479 WeakPolarHBondContact O-CE2 3.33Å; T465-Y479 PolarHBondContact O-OH 3.2Å; T465-I566 HydrophobicContact CG2-CG1 4.39Å; T465-R567 PolarHBondContact OG1-N 3.03Å; T465-R567 PolarHBondContact OG1-O 3.06Å; T465-R567 VanDerWaalsContact OG1-O 3.06Å; T465-L600 HydrophobicContact CG2-CD1 4.44Å
466	V	98.4	Very high	98.1	Very high	13 Å²	13	29.8 Å²	29.8	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.7	-174.3	-58.8	0	0	0	0	112.5	L380 M446 Y447 W468 D597	L380-V466 HydrophobicContact CD2-CG1 4.27Å; M446-V466 WeakPolarHBondContact CA-O 3.46Å; Y447-V466 HydrophobicContact CD1-CG2 3.78Å; Y447-V466 HydrophobicContact CG-CG2 4.39Å; Y447-V466 PolarHBondContact N-O 3.28Å; Y447-V466 PolarHBondContact O-N 2.65Å; V466-W468 HydrophobicContact CB-CZ2 4.47Å; V466-W468 HydrophobicContact CG2-CH2 3.54Å; V466-W468 HydrophobicContact CG2-CZ2 3.4Å; V466-W468 VanDerWaalsContact CG2-CZ2 3.4Å; V466-W468 HydrophobicContact CG2-CZ3 4.17Å; V466-D597 WeakPolarHBondContact CA-OD2 3.44Å; V466-D597 HydrophobicContact CB-CB 4.39Å; V466-D597 WeakPolarHBondContact CB-OD2 3.39Å; V466-D597 HydrophobicContact CG1-CB 4.19Å
467	H	97.9	Very high	98.1	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.014	17%	0.17	C	C	.	.			trans	-149.8	122.5	174.8	-168.1	-65.7	0	0	0	111.2	S443 D444 E445 G469 T470 D597 N599 L600	S443-H467 PolarHBondContact O-CE1 2.88Å; D444-H467 VanDerWaalsContact C-NE2 3.3Å; D444-H467 PolarHBondContact O-NE2 2.99Å; E445-H467 VanDerWaalsContact C-CD2 3.47Å; E445-H467 PolarHBondContact O-CD2 3.33Å; H467-G469 VanDerWaalsContact CE1-C 3.48Å; H467-G469 PolarHBondContact CE1-N 3.21Å; H467-G469 PolarHBondContact ND1-N 3.21Å; H467-T470 PolarHBondContact CE1-N 3.33Å; H467-D597 PolarHBondContact N-OD2 3.42Å; H467-N599 PolarHBondContact O-ND2 2.67Å; H467-L600 HydrophobicContact CB-CD1 4.06Å; H467-L600 HydrophobicContact CB-CD2 3.78Å; H467-L600 HydrophobicContact CB-CG 3.93Å
468	W	95.8	Very high	98.2	Very high	51 Å²	51	28.8 Å²	28.8	19%	0.193	17%	0.168	C	C	.	.	S	Bend	trans	-95.2	-1.1	-173.9	-59.8	-74.9	0	0	0	115.2	L383 E384 V387 L441 Y447 V466	L383-W468 HydrophobicContact CB-CH2 4.24Å; L383-W468 HydrophobicContact CB-CZ2 3.64Å; L383-W468 HydrophobicContact CD1-CH2 3.96Å; L383-W468 HydrophobicContact CD1-CZ2 3.84Å; L383-W468 HydrophobicContact CG-CZ2 4.32Å; E384-W468 VanDerWaalsContact CG-NE1 3.28Å; V387-W468 HydrophobicContact CB-CD2 4.46Å; V387-W468 HydrophobicContact CB-CE3 4.19Å; V387-W468 HydrophobicContact CB-CZ3 4.29Å; V387-W468 HydrophobicContact CG1-CD2 4.36Å; V387-W468 HydrophobicContact CG1-CE3 3.71Å; V387-W468 HydrophobicContact CG1-CZ3 3.91Å; V387-W468 HydrophobicContact CG2-CE3 4.28Å; V387-W468 HydrophobicContact CG2-CH2 3.91Å; V387-W468 HydrophobicContact CG2-CZ2 4.32Å; V387-W468 HydrophobicContact CG2-CZ3 3.9Å; L441-W468 HydrophobicContact CD2-CH2 4.13Å; L441-W468 HydrophobicContact CD2-CZ3 4.32Å; Y447-W468 AromaticContact CD1-CH2 3.57Å; Y447-W468 HydrophobicContact CD1-CH2 3.57Å; Y447-W468 HydrophobicContact CD1-CZ2 4.41Å; Y447-W468 HydrophobicContact CD1-CZ3 4.34Å; Y447-W468 HydrophobicContact CE1-CH2 4.46Å; Y447-W468 AromaticContact CG-CH2 3.81Å; Y447-W468 HydrophobicContact CG-CH2 3.81Å; Y447-W468 HydrophobicContact CG-CZ3 4.13Å; V466-W468 HydrophobicContact CB-CZ2 4.47Å; V466-W468 HydrophobicContact CG2-CH2 3.54Å; V466-W468 HydrophobicContact CG2-CZ2 3.4Å; V466-W468 VanDerWaalsContact CG2-CZ2 3.4Å; V466-W468 HydrophobicContact CG2-CZ3 4.17Å
469	G	95.7	Very high	98.3	Very high	23 Å²	23	28.8 Å²	28.8	24%	0.237	17%	0.168	C	C	.	.	S	Bend	trans	-118	-135.3	-177.4	0	0	0	0	0	111.7	S443 H467 P471 N599	S443-G469 WeakPolarHBondContact O-CA 3.09Å; S443-G469 PolarHBondContact O-N 3.02Å; H467-G469 VanDerWaalsContact CE1-C 3.48Å; H467-G469 PolarHBondContact CE1-N 3.21Å; H467-G469 PolarHBondContact ND1-N 3.21Å; G469-P471 WeakPolarHBondContact O-CD 3.33Å; G469-N599 PolarHBondContact O-ND2 3.19Å
470	T	97.1	Very high	98.3	Very high	130 Å²	130	28.8 Å²	28.8	80%	0.798	17%	0.168	S	C	*	.			trans	-108.3	101.8	176.7	-56.7	0	0	0	0	110.5	H467	H467-T470 PolarHBondContact CE1-N 3.33Å
471	P	97.9	Very high	98.3	Very high	13 Å²	13	30.9 Å²	30.9	8%	0.084	18%	0.176	C	C	.	.			trans	-69.2	146.6	176.6	27.8	-34.4	0	0	0	111.2	G469 Q475 K476 N599 L600	G469-P471 WeakPolarHBondContact O-CD 3.33Å; P471-Q475 HydrophobicContact CB-CB 4.25Å; P471-K476 HydrophobicContact CB-CG 4.06Å; P471-K476 HydrophobicContact CG-CD 4.05Å; P471-K476 HydrophobicContact CG-CG 3.85Å; P471-N599 WeakPolarHBondContact CD-ND2 3.29Å; P471-L600 HydrophobicContact CB-CD2 3.54Å; P471-L600 HydrophobicContact CG-CD2 3.92Å
472	S	98.3	Very high	98.3	Very high	55 Å²	55	30.7 Å²	30.7	39%	0.385	18%	0.175	S	C	.	.			trans	-66.6	160.2	174.2	69.5	0	0	0	0	112.1	F474 Q475 K476	S472-F474 VanDerWaalsContact C-N 3.26Å; S472-F474 PolarHBondContact O-N 2.53Å; S472-Q475 WeakPolarHBondContact O-CB 3.39Å; S472-Q475 PolarHBondContact O-N 2.69Å; S472-Q475 WeakPolarHBondContact OG-CB 3.49Å; S472-Q475 VanDerWaalsContact OG-CG 3.3Å; S472-Q475 WeakPolarHBondContact OG-CG 3.41Å; S472-Q475 PolarHBondContact OG-N 3.48Å; S472-Q475 PolarHBondContact OG-OE1 3.45Å; S472-Q475 VanDerWaalsContact OG-OE1 3.1Å; S472-K476 WeakPolarHBondContact O-CG 3.29Å; S472-K476 PolarHBondContact O-N 2.73Å
473	A	98.4	Very high	98.3	Very high	85 Å²	85	30.4 Å²	30.4	70%	0.702	17%	0.174	S	C	*	.	H	α-helix	trans	-56.3	-41.6	176.4	0	0	0	0	0	112.2	K476 E477	A473-K476 PolarHBondContact O-N 2.93Å; A473-E477 WeakPolarHBondContact O-CB 3.23Å; A473-E477 PolarHBondContact O-N 3.26Å
474	F	98.5	Very high	98.3	Very high	70 Å²	70	31.1 Å²	31.1	31%	0.307	18%	0.178	S	C	.	.	H	α-helix	trans	-68.8	-39.3	179.2	-177.6	-119.6	0	0	0	112.7	S472 K476 E477 A478 L516 Y558 F564	S472-F474 VanDerWaalsContact C-N 3.26Å; S472-F474 PolarHBondContact O-N 2.53Å; F474-K476 VanDerWaalsContact C-N 3.32Å; F474-K476 PolarHBondContact O-N 2.76Å; F474-E477 PolarHBondContact O-N 2.82Å; F474-A478 WeakPolarHBondContact O-CB 3.13Å; F474-A478 PolarHBondContact O-N 2.81Å; F474-L516 HydrophobicContact CE2-CD1 4.26Å; F474-L516 HydrophobicContact CZ-CD1 4.43Å; F474-L516 HydrophobicContact CZ-CD2 4.44Å; F474-Y558 HydrophobicContact CE1-CE1 4.03Å; F474-Y558 AromaticContact CZ-CE1 3.84Å; F474-Y558 HydrophobicContact CZ-CE1 3.84Å; F474-Y558 AromaticContact CZ-CZ 3.94Å; F474-Y558 WeakPolarHBondContact CZ-OH 3.29Å; F474-F564 AromaticContact CD1-CE1 3.92Å; F474-F564 HydrophobicContact CD1-CE1 3.92Å; F474-F564 AromaticContact CD1-CZ 3.71Å; F474-F564 HydrophobicContact CD1-CZ 3.71Å; F474-F564 HydrophobicContact CE1-CE1 4.1Å; F474-F564 AromaticContact CE1-CZ 3.68Å; F474-F564 HydrophobicContact CE1-CZ 3.68Å
475	Q	98.6	Very high	98.3	Very high	26 Å²	26	30.9 Å²	30.9	12%	0.121	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-44.7	173	-86.2	171.7	-32.8	0	0	111.8	M446 P471 S472 Y479 F564	M446-Q475 HydrophobicContact CE-CB 3.41Å; M446-Q475 VanDerWaalsContact CE-CB 3.41Å; M446-Q475 HydrophobicContact CE-CG 3.59Å; M446-Q475 HydrophobicContact SD-CB 4.32Å; M446-Q475 HydrophobicContact SD-CG 3.82Å; P471-Q475 HydrophobicContact CB-CB 4.25Å; S472-Q475 WeakPolarHBondContact O-CB 3.39Å; S472-Q475 PolarHBondContact O-N 2.69Å; S472-Q475 WeakPolarHBondContact OG-CB 3.49Å; S472-Q475 VanDerWaalsContact OG-CG 3.3Å; S472-Q475 WeakPolarHBondContact OG-CG 3.41Å; S472-Q475 PolarHBondContact OG-N 3.48Å; S472-Q475 PolarHBondContact OG-OE1 3.45Å; S472-Q475 VanDerWaalsContact OG-OE1 3.1Å; Q475-Y479 VanDerWaalsContact O-CB 3.27Å; Q475-Y479 WeakPolarHBondContact O-CB 3.47Å; Q475-Y479 PolarHBondContact O-N 3.14Å; Q475-F564 HydrophobicContact CG-CD1 3.85Å; Q475-F564 HydrophobicContact CG-CD2 4.4Å; Q475-F564 HydrophobicContact CG-CE1 3.66Å; Q475-F564 HydrophobicContact CG-CE2 4.23Å; Q475-F564 HydrophobicContact CG-CG 4.22Å; Q475-F564 HydrophobicContact CG-CZ 3.86Å
476	K	98.8	Very high	98.3	Very high	57 Å²	57	30.9 Å²	30.9	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-42.8	176.6	-63.7	-168.8	68.6	152.4	0	112.7	P471 S472 A473 F474 T480 N599 L600 I601 D602	P471-K476 HydrophobicContact CB-CG 4.06Å; P471-K476 HydrophobicContact CG-CD 4.05Å; P471-K476 HydrophobicContact CG-CG 3.85Å; S472-K476 WeakPolarHBondContact O-CG 3.29Å; S472-K476 PolarHBondContact O-N 2.73Å; A473-K476 PolarHBondContact O-N 2.93Å; F474-K476 VanDerWaalsContact C-N 3.32Å; F474-K476 PolarHBondContact O-N 2.76Å; K476-T480 VanDerWaalsContact O-CB 3.29Å; K476-T480 WeakPolarHBondContact O-CB 3.38Å; K476-T480 PolarHBondContact O-N 3.01Å; K476-T480 PolarHBondContact O-OG1 3.46Å; K476-N599 WeakPolarHBondContact CE-O 3.35Å; K476-N599 PolarHBondContact NZ-O 3.03Å; K476-L600 WeakPolarHBondContact CA-O 3.3Å; K476-I601 WeakPolarHBondContact CE-O 3.28Å; K476-I601 PolarHBondContact NZ-O 2.94Å; K476-D602 HydrophobicContact CB-CB 4.41Å
477	E	98.8	Very high	98.3	Very high	63 Å²	63	30.2 Å²	30.2	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-60.1	-52.2	176.6	177.8	176.7	-170.1	0	0	111.1	A473 F474 Y479 T480 R481 L605	A473-E477 WeakPolarHBondContact O-CB 3.23Å; A473-E477 PolarHBondContact O-N 3.26Å; F474-E477 PolarHBondContact O-N 2.82Å; E477-Y479 PolarHBondContact O-N 3.23Å; E477-T480 PolarHBondContact O-N 3.49Å; E477-R481 WeakPolarHBondContact O-CG 3.3Å; E477-R481 PolarHBondContact O-N 2.8Å; E477-R481 IonicContact OE1-CZ 3.01Å; E477-R481 IonicContact OE1-NE 2.72Å; E477-R481 PolarHBondContact OE1-NE 2.82Å; E477-R481 IonicContact OE1-NH2 2.76Å; E477-R481 PolarHBondContact OE1-NH2 3.36Å; E477-L605 HydrophobicContact CB-CD1 4.41Å; E477-L605 HydrophobicContact CG-CD1 4.1Å
478	A	98.8	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-47.1	-179.8	0	0	0	0	0	111.3	F474 T480 R481 V482 Y558 F564 I566	F474-A478 WeakPolarHBondContact O-CB 3.13Å; F474-A478 PolarHBondContact O-N 2.81Å; A478-T480 VanDerWaalsContact C-N 3.33Å; A478-T480 PolarHBondContact O-N 3.07Å; A478-R481 PolarHBondContact O-N 2.94Å; A478-V482 WeakPolarHBondContact O-CG2 3.32Å; A478-V482 PolarHBondContact O-N 2.77Å; A478-Y558 HydrophobicContact CB-CD1 3.72Å; A478-Y558 HydrophobicContact CB-CE1 4.09Å; A478-F564 HydrophobicContact CB-CE2 4.29Å; A478-F564 HydrophobicContact CB-CZ 4.46Å; A478-I566 HydrophobicContact CB-CD1 3.81Å
479	Y	98.9	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-47.1	176.8	-174.4	-87.9	0	0	0	112.3	T465 Q475 E477 R481 V482 L483 I566 L568 Y596 D597 L600 I601	T465-Y479 WeakPolarHBondContact O-CE2 3.33Å; T465-Y479 PolarHBondContact O-OH 3.2Å; Q475-Y479 VanDerWaalsContact O-CB 3.27Å; Q475-Y479 WeakPolarHBondContact O-CB 3.47Å; Q475-Y479 PolarHBondContact O-N 3.14Å; E477-Y479 PolarHBondContact O-N 3.23Å; Y479-R481 VanDerWaalsContact C-N 3.32Å; Y479-R481 PolarHBondContact O-N 3.4Å; Y479-V482 PolarHBondContact O-N 3.29Å; Y479-L483 HydrophobicContact CE1-CD2 4.41Å; Y479-L483 WeakPolarHBondContact O-CB 3.5Å; Y479-L483 PolarHBondContact O-N 2.64Å; Y479-I566 HydrophobicContact CD2-CD1 4.46Å; Y479-I566 HydrophobicContact CD2-CG2 3.77Å; Y479-I566 HydrophobicContact CE2-CG2 4.4Å; Y479-I566 VanDerWaalsContact N-CD1 3.34Å; Y479-L568 HydrophobicContact CE1-CD1 4.1Å; Y479-L568 HydrophobicContact CE2-CD1 4.15Å; Y479-L568 HydrophobicContact CE2-CD2 3.64Å; Y479-L568 HydrophobicContact CE2-CG 4.34Å; Y479-Y596 WeakPolarHBondContact OH-CB 3.12Å; Y479-D597 PolarHBondContact OH-N 3.29Å; Y479-L600 HydrophobicContact CD1-CB 3.57Å; Y479-L600 HydrophobicContact CD2-CB 3.71Å; Y479-L600 HydrophobicContact CD2-CD1 3.54Å; Y479-L600 HydrophobicContact CD2-CG 4.19Å; Y479-L600 HydrophobicContact CE1-CB 3.85Å; Y479-L600 HydrophobicContact CE2-CB 3.93Å; Y479-L600 HydrophobicContact CE2-CD1 3.53Å; Y479-L600 HydrophobicContact CE2-CG 4.37Å; Y479-L600 HydrophobicContact CG-CB 3.5Å; Y479-L600 HydrophobicContact CG-CD1 4.23Å; Y479-L600 HydrophobicContact CG-CG 4.4Å; Y479-I601 HydrophobicContact CD1-CG1 4.16Å; Y479-I601 HydrophobicContact CE1-CG1 3.76Å
480	T	98.9	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-35.1	-176.8	-53.6	0	0	0	0	111.4	K476 E477 A478 L483 I484 L600 D602 L605 L606	K476-T480 VanDerWaalsContact O-CB 3.29Å; K476-T480 WeakPolarHBondContact O-CB 3.38Å; K476-T480 PolarHBondContact O-N 3.01Å; K476-T480 PolarHBondContact O-OG1 3.46Å; E477-T480 PolarHBondContact O-N 3.49Å; A478-T480 VanDerWaalsContact C-N 3.33Å; A478-T480 PolarHBondContact O-N 3.07Å; T480-L483 PolarHBondContact O-N 3.31Å; T480-I484 HydrophobicContact CG2-CD1 4.24Å; T480-I484 VanDerWaalsContact O-CG1 3.23Å; T480-I484 WeakPolarHBondContact O-CG1 3.39Å; T480-I484 PolarHBondContact O-N 3.05Å; T480-L600 PolarHBondContact OG1-O 3.11Å; T480-D602 PolarHBondContact OG1-N 3.48Å; T480-L605 HydrophobicContact CG2-CB 3.83Å; T480-L605 HydrophobicContact CG2-CD1 4.2Å; T480-L606 HydrophobicContact CG2-CD2 3.62Å; T480-L606 HydrophobicContact CG2-CG 4.19Å
481	R	98.9	Very high	98.6	Very high	43 Å²	43	25.1 Å²	25.1	16%	0.162	13%	0.134	C	C	.	.	H	α-helix	trans	-67	-40.5	173.9	-71.3	174.8	-178.1	-74	-2.1	112.3	E477 A478 Y479 L483 I484 G485 A510 L511 A514	E477-R481 WeakPolarHBondContact O-CG 3.3Å; E477-R481 PolarHBondContact O-N 2.8Å; E477-R481 IonicContact OE1-CZ 3.01Å; E477-R481 IonicContact OE1-NE 2.72Å; E477-R481 PolarHBondContact OE1-NE 2.82Å; E477-R481 IonicContact OE1-NH2 2.76Å; E477-R481 PolarHBondContact OE1-NH2 3.36Å; A478-R481 PolarHBondContact O-N 2.94Å; Y479-R481 VanDerWaalsContact C-N 3.32Å; Y479-R481 PolarHBondContact O-N 3.4Å; R481-L483 VanDerWaalsContact C-N 3.34Å; R481-I484 PolarHBondContact O-N 3.44Å; R481-G485 PolarHBondContact O-N 3.28Å; R481-A510 HydrophobicContact CB-CB 4.22Å; R481-A510 WeakPolarHBondContact CD-O 3.49Å; R481-A510 HydrophobicContact CG-CB 4.49Å; R481-A510 PolarHBondContact NH1-O 2.93Å; R481-L511 HydrophobicContact CB-CD2 3.79Å; R481-L511 HydrophobicContact CB-CG 4.25Å; R481-A514 VanDerWaalsContact CZ-CB 3.48Å
482	V	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-46.1	171.9	174.9	0	0	0	0	110.3	A478 Y479 I484 G485 N486 L511 P556 I566 L568	A478-V482 WeakPolarHBondContact O-CG2 3.32Å; A478-V482 PolarHBondContact O-N 2.77Å; Y479-V482 PolarHBondContact O-N 3.29Å; V482-I484 PolarHBondContact O-N 2.73Å; V482-G485 PolarHBondContact O-N 3.48Å; V482-N486 PolarHBondContact O-N 3.15Å; V482-L511 HydrophobicContact CG2-CD1 4.21Å; V482-L511 HydrophobicContact CG2-CD2 4.19Å; V482-P556 HydrophobicContact CG1-CB 4.18Å; V482-P556 HydrophobicContact CG1-CG 4.1Å; V482-P556 WeakPolarHBondContact CG1-O 3.48Å; V482-I566 HydrophobicContact CB-CG2 4.17Å; V482-I566 HydrophobicContact CG1-CG2 4.15Å; V482-I566 HydrophobicContact CG2-CB 4.44Å; V482-I566 HydrophobicContact CG2-CG2 4.11Å; V482-L568 HydrophobicContact CB-CD1 4.41Å; V482-L568 HydrophobicContact CG1-CB 4.09Å; V482-L568 HydrophobicContact CG1-CD1 3.98Å; V482-L568 HydrophobicContact CG1-CG 3.91Å
483	L	98.9	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-42.2	177.7	179.1	59.9	0	0	0	112.3	Y479 T480 R481 G485 N486 I487 L568 Y596 I601 L614	Y479-L483 HydrophobicContact CE1-CD2 4.41Å; Y479-L483 WeakPolarHBondContact O-CB 3.5Å; Y479-L483 PolarHBondContact O-N 2.64Å; T480-L483 PolarHBondContact O-N 3.31Å; R481-L483 VanDerWaalsContact C-N 3.34Å; L483-G485 VanDerWaalsContact C-N 3.3Å; L483-G485 PolarHBondContact O-N 2.71Å; L483-N486 PolarHBondContact O-N 2.75Å; L483-I487 HydrophobicContact CD1-CD1 3.83Å; L483-I487 HydrophobicContact CD1-CG1 4.01Å; L483-I487 HydrophobicContact CD2-CD1 4.45Å; L483-I487 HydrophobicContact CG-CD1 3.77Å; L483-I487 HydrophobicContact CG-CG1 4.35Å; L483-I487 WeakPolarHBondContact O-CB 3.46Å; L483-I487 VanDerWaalsContact O-CG1 3.24Å; L483-I487 WeakPolarHBondContact O-CG1 3.34Å; L483-I487 PolarHBondContact O-N 3.3Å; L483-L568 HydrophobicContact CB-CD1 3.67Å; L483-L568 HydrophobicContact CD1-CD1 4.1Å; L483-L568 HydrophobicContact CG-CD1 4.44Å; L483-Y596 HydrophobicContact CD1-CD1 4.04Å; L483-Y596 HydrophobicContact CD1-CD2 3.59Å; L483-Y596 HydrophobicContact CD1-CE1 4.02Å; L483-Y596 HydrophobicContact CD1-CE2 3.55Å; L483-Y596 HydrophobicContact CD1-CG 3.82Å; L483-I601 HydrophobicContact CD2-CD1 3.71Å; L483-I601 HydrophobicContact CD2-CG1 3.78Å; L483-L614 HydrophobicContact CD2-CD2 4.27Å
484	I	98.9	Very high	98.7	Very high	16 Å²	16	23.3 Å²	23.3	8%	0.082	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-46.4	174.1	-73.1	163.2	0	0	0	110	T480 R481 V482 N486 I487 D488 A510 L605 L606	T480-I484 HydrophobicContact CG2-CD1 4.24Å; T480-I484 VanDerWaalsContact O-CG1 3.23Å; T480-I484 WeakPolarHBondContact O-CG1 3.39Å; T480-I484 PolarHBondContact O-N 3.05Å; R481-I484 PolarHBondContact O-N 3.44Å; V482-I484 PolarHBondContact O-N 2.73Å; I484-N486 PolarHBondContact O-N 2.93Å; I484-I487 PolarHBondContact O-N 2.77Å; I484-D488 VanDerWaalsContact O-CB 3.29Å; I484-D488 WeakPolarHBondContact O-CB 3.37Å; I484-D488 PolarHBondContact O-N 2.71Å; I484-A510 HydrophobicContact CB-CB 3.89Å; I484-A510 HydrophobicContact CG2-CB 3.56Å; I484-L605 HydrophobicContact CD1-CB 4.39Å; I484-L606 HydrophobicContact CD1-CD2 4.18Å; I484-L606 HydrophobicContact CG1-CD2 3.77Å
485	G	98.8	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-46.3	176.8	0	0	0	0	0	113.3	R481 V482 L483 I487 D488 L489 A507	R481-G485 PolarHBondContact O-N 3.28Å; V482-G485 PolarHBondContact O-N 3.48Å; L483-G485 VanDerWaalsContact C-N 3.3Å; L483-G485 PolarHBondContact O-N 2.71Å; G485-I487 PolarHBondContact O-N 3.16Å; G485-D488 PolarHBondContact O-N 3.12Å; G485-L489 PolarHBondContact O-N 2.87Å; G485-L489 VanDerWaalsContact O-N 3.09Å; G485-A507 WeakPolarHBondContact CA-O 3.24Å; G485-A507 WeakPolarHBondContact O-CA 3.19Å
486	N	98.8	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-47.9	177.6	173.9	-63.2	0	0	0	110.4	V482 L483 I484 S490 I554 P556 L568 D570 Y596	V482-N486 PolarHBondContact O-N 3.15Å; L483-N486 PolarHBondContact O-N 2.75Å; I484-N486 PolarHBondContact O-N 2.93Å; N486-S490 VanDerWaalsContact O-CB 3.28Å; N486-S490 WeakPolarHBondContact O-CB 3.39Å; N486-S490 PolarHBondContact O-N 2.99Å; N486-S490 PolarHBondContact O-OG 3.2Å; N486-I554 PolarHBondContact ND2-O 3.47Å; N486-I554 VanDerWaalsContact ND2-O 3.08Å; N486-P556 HydrophobicContact CB-CG 3.67Å; N486-L568 PolarHBondContact ND2-O 2.77Å; N486-D570 PolarHBondContact ND2-OD2 3.42Å; N486-D570 VanDerWaalsContact ND2-OD2 3.14Å; N486-Y596 PolarHBondContact OD1-OH 3.47Å; N486-Y596 VanDerWaalsContact OD1-OH 3.1Å
487	I	98.8	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-46	-179.4	-69.1	172.9	0	0	0	111.2	L483 I484 G485 L489 S490 R491 Y613 L614	L483-I487 HydrophobicContact CD1-CD1 3.83Å; L483-I487 HydrophobicContact CD1-CG1 4.01Å; L483-I487 HydrophobicContact CD2-CD1 4.45Å; L483-I487 HydrophobicContact CG-CD1 3.77Å; L483-I487 HydrophobicContact CG-CG1 4.35Å; L483-I487 WeakPolarHBondContact O-CB 3.46Å; L483-I487 VanDerWaalsContact O-CG1 3.24Å; L483-I487 WeakPolarHBondContact O-CG1 3.34Å; L483-I487 PolarHBondContact O-N 3.3Å; I484-I487 PolarHBondContact O-N 2.77Å; G485-I487 PolarHBondContact O-N 3.16Å; I487-L489 VanDerWaalsContact C-N 3.34Å; I487-L489 PolarHBondContact O-N 2.84Å; I487-S490 PolarHBondContact O-N 3.07Å; I487-R491 VanDerWaalsContact O-CG 3.31Å; I487-R491 WeakPolarHBondContact O-CG 3.49Å; I487-R491 PolarHBondContact O-N 3.32Å; I487-Y613 HydrophobicContact CB-CD1 4.11Å; I487-Y613 HydrophobicContact CB-CE1 4.27Å; I487-Y613 HydrophobicContact CD1-CD1 4.19Å; I487-Y613 HydrophobicContact CG1-CD1 3.74Å; I487-Y613 HydrophobicContact CG1-CE1 3.85Å; I487-Y613 HydrophobicContact CG2-CD1 3.43Å; I487-Y613 VanDerWaalsContact CG2-CD1 3.43Å; I487-Y613 HydrophobicContact CG2-CE1 3.97Å; I487-Y613 HydrophobicContact CG2-CG 3.76Å; I487-L614 HydrophobicContact CD1-CB 4.47Å
488	D	98.8	Very high	98.2	Very high	35 Å²	35	22.3 Å²	22.3	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-40.4	-177.5	-89.2	-17.4	0	0	0	112.1	I484 G485 R491 L492 H610	I484-D488 VanDerWaalsContact O-CB 3.29Å; I484-D488 WeakPolarHBondContact O-CB 3.37Å; I484-D488 PolarHBondContact O-N 2.71Å; G485-D488 PolarHBondContact O-N 3.12Å; D488-R491 WeakPolarHBondContact O-CG 3.32Å; D488-R491 IonicContact OD1-CZ 3.42Å; D488-R491 IonicContact OD1-NH1 2.69Å; D488-R491 PolarHBondContact OD1-NH1 2.94Å; D488-L492 PolarHBondContact O-N 3.39Å; D488-H610 IonicContact OD1-CE1 3.58Å; D488-H610 IonicContact OD1-NE2 2.81Å; D488-H610 PolarHBondContact OD1-NE2 3.01Å; D488-H610 IonicContact OD2-NE2 3.51Å
489	L	98.6	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.9	-45.7	173.5	-174.5	59.7	0	0	0	111.5	G485 I487 R491 L492 V503 F506 A507 T522 F539 I554 F588	G485-L489 PolarHBondContact O-N 2.87Å; G485-L489 VanDerWaalsContact O-N 3.09Å; I487-L489 VanDerWaalsContact C-N 3.34Å; I487-L489 PolarHBondContact O-N 2.84Å; L489-R491 PolarHBondContact O-N 3.29Å; L489-L492 HydrophobicContact CD1-CD2 4.25Å; L489-L492 VanDerWaalsContact O-CB 3.23Å; L489-L492 WeakPolarHBondContact O-CB 3.27Å; L489-L492 PolarHBondContact O-N 3.21Å; L489-V503 HydrophobicContact CD1-CB 4.15Å; L489-V503 HydrophobicContact CD1-CG2 3.99Å; L489-F506 HydrophobicContact CD1-CB 4.46Å; L489-A507 HydrophobicContact CB-CB 4.31Å; L489-A507 HydrophobicContact CD2-CB 4.17Å; L489-T522 HydrophobicContact CD2-CG2 3.48Å; L489-T522 VanDerWaalsContact CD2-CG2 3.48Å; L489-F539 HydrophobicContact CD1-CE1 4.15Å; L489-F539 HydrophobicContact CD2-CD1 4.39Å; L489-F539 HydrophobicContact CD2-CE1 3.59Å; L489-F539 HydrophobicContact CD2-CZ 3.73Å; L489-F539 HydrophobicContact CG-CE1 4.38Å; L489-I554 HydrophobicContact CB-CG2 4.14Å; L489-I554 HydrophobicContact CD2-CB 4.47Å; L489-I554 HydrophobicContact CD2-CD1 4.35Å; L489-I554 HydrophobicContact CD2-CG1 4.14Å; L489-I554 HydrophobicContact CD2-CG2 3.72Å; L489-I554 HydrophobicContact CG-CD1 4.21Å; L489-I554 HydrophobicContact CG-CG2 4.24Å; L489-F588 HydrophobicContact CD1-CE2 4.16Å; L489-F588 HydrophobicContact CG-CE2 4.34Å; L489-F588 VanDerWaalsContact O-CD2 3.25Å; L489-F588 WeakPolarHBondContact O-CD2 3.37Å; L489-F588 WeakPolarHBondContact O-CE2 3.29Å
490	S	98.4	Very high	98	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-31.7	-177.8	-64	0	0	0	0	113.6	N486 I487 I554 Y613	N486-S490 VanDerWaalsContact O-CB 3.28Å; N486-S490 WeakPolarHBondContact O-CB 3.39Å; N486-S490 PolarHBondContact O-N 2.99Å; N486-S490 PolarHBondContact O-OG 3.2Å; I487-S490 PolarHBondContact O-N 3.07Å; S490-I554 WeakPolarHBondContact OG-CD1 3.43Å; S490-Y613 VanDerWaalsContact CB-OH 3.22Å; S490-Y613 WeakPolarHBondContact CB-OH 3.18Å
491	R	97.8	Very high	97.8	Very high	63 Å²	63	30.2 Å²	30.2	24%	0.238	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.5	177.8	72.6	171.6	56.2	133.7	-17.6	114.5	I487 D488 L489 I493 E609 H610 Y613	I487-R491 VanDerWaalsContact O-CG 3.31Å; I487-R491 WeakPolarHBondContact O-CG 3.49Å; I487-R491 PolarHBondContact O-N 3.32Å; D488-R491 WeakPolarHBondContact O-CG 3.32Å; D488-R491 IonicContact OD1-CZ 3.42Å; D488-R491 IonicContact OD1-NH1 2.69Å; D488-R491 PolarHBondContact OD1-NH1 2.94Å; L489-R491 PolarHBondContact O-N 3.29Å; R491-I493 PolarHBondContact O-N 3.09Å; R491-E609 PolarHBondContact NH2-O 2.93Å; R491-H610 PolarHBondContact NH1-CD2 3Å; R491-H610 PolarHBondContact NH1-NE2 3.3Å; R491-H610 PolarHBondContact NH2-CD2 2.9Å; R491-Y613 HydrophobicContact CB-CD2 4.33Å; R491-Y613 HydrophobicContact CB-CE2 4.42Å
492	L	98.3	Very high	97.7	Very high	24 Å²	24	34.1 Å²	34.1	13%	0.126	19%	0.186	C	C	.	.			trans	-65	128.1	-168.4	-176.7	65.8	0	0	0	110.5	D488 L489 F494 V503 F506 T587	D488-L492 PolarHBondContact O-N 3.39Å; L489-L492 HydrophobicContact CD1-CD2 4.25Å; L489-L492 VanDerWaalsContact O-CB 3.23Å; L489-L492 WeakPolarHBondContact O-CB 3.27Å; L489-L492 PolarHBondContact O-N 3.21Å; L492-F494 HydrophobicContact CB-CD1 4.49Å; L492-F494 HydrophobicContact CD2-CB 4.47Å; L492-F494 HydrophobicContact CD2-CD1 4.29Å; L492-F494 HydrophobicContact CG-CB 4.44Å; L492-F494 HydrophobicContact CG-CD1 4.16Å; L492-F494 WeakPolarHBondContact O-CD1 3.45Å; L492-V503 HydrophobicContact CD2-CB 3.49Å; L492-V503 VanDerWaalsContact CD2-CB 3.49Å; L492-V503 HydrophobicContact CD2-CG1 3.46Å; L492-V503 VanDerWaalsContact CD2-CG1 3.46Å; L492-V503 HydrophobicContact CD2-CG2 4.41Å; L492-F506 HydrophobicContact CD1-CD1 4.06Å; L492-F506 HydrophobicContact CD1-CD2 4.36Å; L492-F506 HydrophobicContact CD1-CE1 3.76Å; L492-F506 HydrophobicContact CD1-CE2 4.09Å; L492-F506 HydrophobicContact CD1-CG 4.35Å; L492-F506 HydrophobicContact CD1-CZ 3.78Å; L492-F506 HydrophobicContact CD2-CD2 3.83Å; L492-F506 HydrophobicContact CD2-CE2 4.03Å; L492-F506 HydrophobicContact CD2-CG 4.19Å; L492-T587 WeakPolarHBondContact O-CA 3.43Å; L492-T587 PolarHBondContact O-OG1 3.01Å
493	I	98.5	Very high	97.6	Very high	86 Å²	86	34.6 Å²	34.6	44%	0.441	19%	0.188	S	C	.	.			trans	-97.9	120.9	167.8	-62.1	175.1	0	0	0	108.1	R491 A577 T579 Y585 L586	R491-I493 PolarHBondContact O-N 3.09Å; I493-A577 HydrophobicContact CB-CB 4.42Å; I493-A577 HydrophobicContact CD1-CB 4.4Å; I493-A577 HydrophobicContact CG1-CB 4.08Å; I493-A577 HydrophobicContact CG2-CB 3.68Å; I493-T579 HydrophobicContact CG2-CG2 3.78Å; I493-Y585 HydrophobicContact CG2-CD1 3.86Å; I493-Y585 HydrophobicContact CG2-CG 4.21Å; I493-L586 WeakPolarHBondContact CA-O 3.4Å
494	F	98.3	Very high	97.5	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.1	-174.3	55.8	-87.1	0	0	0	111.8	L492 T498 V503 M546 V574 Y585 L586 F588	L492-F494 HydrophobicContact CB-CD1 4.49Å; L492-F494 HydrophobicContact CD2-CB 4.47Å; L492-F494 HydrophobicContact CD2-CD1 4.29Å; L492-F494 HydrophobicContact CG-CB 4.44Å; L492-F494 HydrophobicContact CG-CD1 4.16Å; L492-F494 WeakPolarHBondContact O-CD1 3.45Å; F494-T498 HydrophobicContact CD2-CG2 4.38Å; F494-V503 HydrophobicContact CB-CG1 4.36Å; F494-M546 HydrophobicContact CE2-CB 3.95Å; F494-M546 HydrophobicContact CZ-CB 4.32Å; F494-V574 HydrophobicContact CZ-CG1 4.34Å; F494-Y585 VanDerWaalsContact C-CD1 3.47Å; F494-Y585 CarbonylContact O-C 3.58Å; F494-Y585 VanDerWaalsContact O-CA 3.29Å; F494-Y585 WeakPolarHBondContact O-CA 3.1Å; F494-Y585 WeakPolarHBondContact O-CD1 3.43Å; F494-L586 HydrophobicContact CD2-CB 4.1Å; F494-L586 HydrophobicContact CE1-CB 4.27Å; F494-L586 HydrophobicContact CE2-CB 3.56Å; F494-L586 HydrophobicContact CE2-CD1 4.01Å; F494-L586 HydrophobicContact CE2-CG 4.35Å; F494-L586 HydrophobicContact CZ-CB 3.66Å; F494-L586 PolarHBondContact N-O 3.46Å; F494-L586 PolarHBondContact O-N 3.41Å; F494-F588 HydrophobicContact CD1-CE2 4.28Å; F494-F588 HydrophobicContact CE1-CD2 4.04Å; F494-F588 HydrophobicContact CE1-CE1 4.4Å; F494-F588 AromaticContact CE1-CE2 3.45Å; F494-F588 HydrophobicContact CE1-CE2 3.45Å; F494-F588 VanDerWaalsContact CE1-CE2 3.45Å; F494-F588 AromaticContact CE1-CZ 3.66Å; F494-F588 HydrophobicContact CE1-CZ 3.66Å; F494-F588 HydrophobicContact CZ-CE1 4.33Å; F494-F588 HydrophobicContact CZ-CE2 4.14Å; F494-F588 AromaticContact CZ-CZ 3.85Å; F494-F588 HydrophobicContact CZ-CZ 3.85Å
495	P	98	Very high	97.4	Very high	65 Å²	65	36.1 Å²	36.1	42%	0.422	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	145.5	175.9	-22.7	33.8	0	0	0	111.8	T498 Y585	P495-T498 WeakPolarHBondContact O-CB 3.32Å; P495-T498 PolarHBondContact O-N 2.98Å; P495-T498 PolarHBondContact O-OG1 2.92Å; P495-Y585 HydrophobicContact CB-CE1 4.43Å; P495-Y585 HydrophobicContact CG-CD1 4.42Å; P495-Y585 HydrophobicContact CG-CE1 3.89Å
496	A	96.3	Very high	97.4	Very high	37 Å²	37	40.1 Å²	40.1	31%	0.306	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	153	171.1	0	0	0	0	0	111.5	T498 S584 L586	A496-T498 PolarHBondContact O-N 3.08Å; A496-S584 VanDerWaalsContact CB-OG 3.29Å; A496-S584 WeakPolarHBondContact CB-OG 3.28Å; A496-S584 PolarHBondContact N-O 2.9Å; A496-L586 HydrophobicContact CB-CD1 4.2Å; A496-L586 HydrophobicContact CB-CG 4.22Å
497	A	93.6	Very high	97.3	Very high	76 Å²	76	40.1 Å²	40.1	63%	0.628	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	23.6	-175	0	0	0	0	0	115.1	A545	A497-A545 HydrophobicContact CB-CB 4.35Å; A497-A545 WeakPolarHBondContact O-CB 3.49Å
498	T	97.3	Very high	97.3	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.098	22%	0.224	C	C	.	.			trans	-79.5	127.9	168.7	-61	0	0	0	0	109.8	F494 P495 A496 M502 V503 M546	F494-T498 HydrophobicContact CD2-CG2 4.38Å; P495-T498 WeakPolarHBondContact O-CB 3.32Å; P495-T498 PolarHBondContact O-N 2.98Å; P495-T498 PolarHBondContact O-OG1 2.92Å; A496-T498 PolarHBondContact O-N 3.08Å; T498-M502 HydrophobicContact CG2-CB 4.12Å; T498-M502 HydrophobicContact CG2-CE 3.61Å; T498-V503 HydrophobicContact CG2-CG1 3.75Å; T498-M546 PolarHBondContact O-N 3.08Å
499	S	96.4	Very high	97.3	Very high	28 Å²	28	46.8 Å²	46.8	20%	0.196	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-63.7	137.7	169.3	173.3	0	0	0	0	111	R501 M502	S499-R501 PolarHBondContact O-N 3.06Å; S499-R501 PolarHBondContact OG-N 3.2Å; S499-M502 VanDerWaalsContact N-CE 3.27Å; S499-M502 WeakPolarHBondContact O-CB 3.41Å; S499-M502 PolarHBondContact O-N 3.18Å
500	G	96.3	Very high	97.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-52.6	-37.8	173.7	0	0	0	0	0	112	M502 V503 E504 F539	G500-M502 PolarHBondContact O-N 3.39Å; G500-M502 VanDerWaalsContact O-N 3.1Å; G500-V503 WeakPolarHBondContact O-CG2 3.29Å; G500-V503 PolarHBondContact O-N 3.27Å; G500-E504 PolarHBondContact O-N 2.68Å; G500-F539 VanDerWaalsContact O-CD1 3.26Å; G500-F539 WeakPolarHBondContact O-CD1 3.46Å
501	R	95.6	Very high	97.3	Very high	138 Å²	138	47.1 Å²	47.1	52%	0.521	25%	0.245	S	C	.	.	H	α-helix	trans	-55.5	-31.4	177	-177.8	57.3	-177.7	-178.3	-1.9	113.9	S499 E504 F539	S499-R501 PolarHBondContact O-N 3.06Å; S499-R501 PolarHBondContact OG-N 3.2Å; R501-E504 WeakPolarHBondContact CD-OE2 3.37Å; R501-E504 IonicContact CZ-OE2 3.98Å; R501-E504 IonicContact NE-OE2 2.77Å; R501-E504 IonicContact NH1-OE2 3.46Å; R501-E504 PolarHBondContact NH1-OE2 3.23Å; R501-F539 VanDerWaalsContact CA-O 3.23Å; R501-F539 WeakPolarHBondContact CA-O 3.37Å; R501-F539 WeakPolarHBondContact CB-O 3.3Å; R501-F539 VanDerWaalsContact CD-O 3.24Å; R501-F539 WeakPolarHBondContact CD-O 3.18Å
502	M	96.4	Very high	97.4	Very high	126 Å²	126	50.3 Å²	50.3	62%	0.621	26%	0.258	S	S	*	.	H	α-helix	trans	-72.9	-29.4	178.2	-70	-167	-79.1	0	0	113	T498 S499 G500	T498-M502 HydrophobicContact CG2-CB 4.12Å; T498-M502 HydrophobicContact CG2-CE 3.61Å; S499-M502 VanDerWaalsContact N-CE 3.27Å; S499-M502 WeakPolarHBondContact O-CB 3.41Å; S499-M502 PolarHBondContact O-N 3.18Å; G500-M502 PolarHBondContact O-N 3.39Å; G500-M502 VanDerWaalsContact O-N 3.1Å
503	V	96.8	Very high	97.4	Very high	9 Å²	9	54.6 Å²	54.6	6%	0.055	28%	0.281	C	S	.	.	H	α-helix	trans	-99.2	-7.1	-176.8	-62.4	0	0	0	0	113.1	L489 L492 F494 T498 G500 A505 F506 F539	L489-V503 HydrophobicContact CD1-CB 4.15Å; L489-V503 HydrophobicContact CD1-CG2 3.99Å; L492-V503 HydrophobicContact CD2-CB 3.49Å; L492-V503 VanDerWaalsContact CD2-CB 3.49Å; L492-V503 HydrophobicContact CD2-CG1 3.46Å; L492-V503 VanDerWaalsContact CD2-CG1 3.46Å; L492-V503 HydrophobicContact CD2-CG2 4.41Å; F494-V503 HydrophobicContact CB-CG1 4.36Å; T498-V503 HydrophobicContact CG2-CG1 3.75Å; G500-V503 WeakPolarHBondContact O-CG2 3.29Å; G500-V503 PolarHBondContact O-N 3.27Å; V503-A505 PolarHBondContact O-N 3.18Å; V503-A505 VanDerWaalsContact O-N 3.13Å; V503-F506 HydrophobicContact CB-CD2 4.44Å; V503-F506 WeakPolarHBondContact O-CB 3.2Å; V503-F506 WeakPolarHBondContact O-CD2 3.23Å; V503-F506 PolarHBondContact O-N 2.78Å; V503-F506 VanDerWaalsContact O-N 3.08Å; V503-F539 HydrophobicContact CG2-CD1 4.31Å; V503-F539 HydrophobicContact CG2-CE1 4Å
504	E	96.4	Very high	97.3	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.028	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.3	179.5	-162.4	-170.1	169.9	0	0	113.5	G500 R501 F506 A507 R508 T522 F539	G500-E504 PolarHBondContact O-N 2.68Å; R501-E504 WeakPolarHBondContact CD-OE2 3.37Å; R501-E504 IonicContact CZ-OE2 3.98Å; R501-E504 IonicContact NE-OE2 2.77Å; R501-E504 IonicContact NH1-OE2 3.46Å; R501-E504 PolarHBondContact NH1-OE2 3.23Å; E504-F506 PolarHBondContact O-N 2.71Å; E504-F506 VanDerWaalsContact O-N 3.1Å; E504-A507 PolarHBondContact O-N 3.1Å; E504-R508 IonicContact OE1-CZ 3.24Å; E504-R508 VanDerWaalsContact OE1-CZ 3.3Å; E504-R508 IonicContact OE1-NE 3.8Å; E504-R508 PolarHBondContact OE1-NE 2.93Å; E504-R508 IonicContact OE1-NH2 2.77Å; E504-R508 PolarHBondContact OE1-NH2 3.13Å; E504-T522 HydrophobicContact CG-CG2 4.46Å; E504-T522 WeakPolarHBondContact CG-OG1 3.44Å; E504-T522 PolarHBondContact OE1-OG1 2.95Å; E504-F539 HydrophobicContact CB-CB 4.36Å; E504-F539 HydrophobicContact CB-CD1 4.37Å; E504-F539 HydrophobicContact CG-CB 4.08Å
505	A	97	Very high	97.3	Very high	43 Å²	43	55.5 Å²	55.5	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-23.4	-179.4	0	0	0	0	0	113.5	V503 A507 R508 R509 W512	V503-A505 PolarHBondContact O-N 3.18Å; V503-A505 VanDerWaalsContact O-N 3.13Å; A505-A507 VanDerWaalsContact C-N 3.29Å; A505-A507 PolarHBondContact O-N 3.3Å; A505-R508 PolarHBondContact O-N 3.1Å; A505-R509 WeakPolarHBondContact O-CB 3.26Å; A505-R509 PolarHBondContact O-N 2.87Å; A505-W512 HydrophobicContact CB-CH2 4.47Å; A505-W512 HydrophobicContact CB-CZ3 4.25Å
506	F	98.1	Very high	97.3	Very high	84 Å²	84	53.7 Å²	53.7	37%	0.368	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-32.4	176	-74.2	-93.8	0	0	0	112.2	L489 L492 V503 E504 R508	L489-F506 HydrophobicContact CD1-CB 4.46Å; L492-F506 HydrophobicContact CD1-CD1 4.06Å; L492-F506 HydrophobicContact CD1-CD2 4.36Å; L492-F506 HydrophobicContact CD1-CE1 3.76Å; L492-F506 HydrophobicContact CD1-CE2 4.09Å; L492-F506 HydrophobicContact CD1-CG 4.35Å; L492-F506 HydrophobicContact CD1-CZ 3.78Å; L492-F506 HydrophobicContact CD2-CD2 3.83Å; L492-F506 HydrophobicContact CD2-CE2 4.03Å; L492-F506 HydrophobicContact CD2-CG 4.19Å; V503-F506 HydrophobicContact CB-CD2 4.44Å; V503-F506 WeakPolarHBondContact O-CB 3.2Å; V503-F506 WeakPolarHBondContact O-CD2 3.23Å; V503-F506 PolarHBondContact O-N 2.78Å; V503-F506 VanDerWaalsContact O-N 3.08Å; E504-F506 PolarHBondContact O-N 2.71Å; E504-F506 VanDerWaalsContact O-N 3.1Å; F506-R508 VanDerWaalsContact C-N 3.34Å
507	A	98.4	Very high	97.3	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-76.5	-22.3	174.5	0	0	0	0	0	113.5	G485 L489 E504 A505 T522 P556	G485-A507 WeakPolarHBondContact CA-O 3.24Å; G485-A507 WeakPolarHBondContact O-CA 3.19Å; L489-A507 HydrophobicContact CB-CB 4.31Å; L489-A507 HydrophobicContact CD2-CB 4.17Å; E504-A507 PolarHBondContact O-N 3.1Å; A505-A507 VanDerWaalsContact C-N 3.29Å; A505-A507 PolarHBondContact O-N 3.3Å; A507-T522 HydrophobicContact CB-CG2 3.34Å; A507-P556 HydrophobicContact CB-CB 4.32Å
508	R	98.4	Very high	97.3	Very high	23 Å²	23	52.6 Å²	52.6	9%	0.087	27%	0.274	C	S	.	.	H	α-helix	trans	-96.6	-27.5	-175.4	-62.6	-175.6	177.1	-84.4	-2.5	114	E504 A505 F506 A510 L511 W512 N517 Y518 H520	E504-R508 IonicContact OE1-CZ 3.24Å; E504-R508 VanDerWaalsContact OE1-CZ 3.3Å; E504-R508 IonicContact OE1-NE 3.8Å; E504-R508 PolarHBondContact OE1-NE 2.93Å; E504-R508 IonicContact OE1-NH2 2.77Å; E504-R508 PolarHBondContact OE1-NH2 3.13Å; A505-R508 PolarHBondContact O-N 3.1Å; F506-R508 VanDerWaalsContact C-N 3.34Å; R508-A510 VanDerWaalsContact C-N 3.35Å; R508-A510 PolarHBondContact O-N 3.12Å; R508-L511 WeakPolarHBondContact O-CB 3.26Å; R508-L511 PolarHBondContact O-N 3.23Å; R508-W512 HydrophobicContact CB-CD2 3.94Å; R508-W512 HydrophobicContact CB-CE3 4.43Å; R508-W512 HydrophobicContact CB-CG 4.4Å; R508-W512 HydrophobicContact CB-CH2 4.27Å; R508-W512 HydrophobicContact CB-CZ2 3.75Å; R508-W512 HydrophobicContact CG-CZ2 4.19Å; R508-W512 PolarHBondContact O-N 3.01Å; R508-N517 PolarHBondContact NH1-OD1 2.86Å; R508-Y518 HydrophobicContact CG-CE1 3.71Å; R508-Y518 VanDerWaalsContact CG-OH 3.24Å; R508-Y518 WeakPolarHBondContact CG-OH 3.47Å; R508-Y518 VanDerWaalsContact CZ-CE2 3.43Å; R508-Y518 PolarHBondContact NH1-O 3.23Å; R508-Y518 VanDerWaalsContact NH2-CE2 3.34Å; R508-H520 PolarHBondContact NH2-O 2.88Å
509	R	98.3	Very high	96.8	Very high	152 Å²	152	56 Å²	56	57%	0.574	31%	0.311	S	S	*	.	H	α-helix	trans	-50.7	-49.6	-169.1	179	-179	174	162	-0.4	113.2	A505 L511 W512 D513	A505-R509 WeakPolarHBondContact O-CB 3.26Å; A505-R509 PolarHBondContact O-N 2.87Å; R509-L511 PolarHBondContact O-N 3Å; R509-W512 PolarHBondContact O-N 3.29Å; R509-W512 VanDerWaalsContact O-N 3.12Å; R509-D513 IonicContact NE-OD2 3.28Å; R509-D513 PolarHBondContact O-N 2.57Å
510	A	98.6	Very high	96.4	Very high	8 Å²	8	56.4 Å²	56.4	7%	0.066	31%	0.31	C	S	.	.	H	α-helix	trans	-63.1	-29.8	-176.6	0	0	0	0	0	113.3	R481 I484 R508	R481-A510 HydrophobicContact CB-CB 4.22Å; R481-A510 WeakPolarHBondContact CD-O 3.49Å; R481-A510 HydrophobicContact CG-CB 4.49Å; R481-A510 PolarHBondContact NH1-O 2.93Å; I484-A510 HydrophobicContact CB-CB 3.89Å; I484-A510 HydrophobicContact CG2-CB 3.56Å; R508-A510 VanDerWaalsContact C-N 3.35Å; R508-A510 PolarHBondContact O-N 3.12Å
511	L	98.8	Very high	96.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-76.3	-44.4	172.5	-70.7	168.2	0	0	0	111.1	R481 V482 R508 R509 D513 A514 G515 L516 Y518 G557 Y558	R481-L511 HydrophobicContact CB-CD2 3.79Å; R481-L511 HydrophobicContact CB-CG 4.25Å; V482-L511 HydrophobicContact CG2-CD1 4.21Å; V482-L511 HydrophobicContact CG2-CD2 4.19Å; R508-L511 WeakPolarHBondContact O-CB 3.26Å; R508-L511 PolarHBondContact O-N 3.23Å; R509-L511 PolarHBondContact O-N 3Å; L511-D513 VanDerWaalsContact C-N 3.29Å; L511-D513 PolarHBondContact O-N 3.39Å; L511-A514 CarbonylContact O-C 3.6Å; L511-A514 WeakPolarHBondContact O-CA 3.19Å; L511-A514 PolarHBondContact O-N 2.93Å; L511-G515 PolarHBondContact O-N 2.88Å; L511-L516 CarbonylContact C-O 3.57Å; L511-L516 VanDerWaalsContact C-O 3.25Å; L511-L516 HydrophobicContact CB-CB 4.01Å; L511-L516 HydrophobicContact CD2-CB 3.86Å; L511-L516 HydrophobicContact CD2-CD1 4.02Å; L511-L516 PolarHBondContact O-N 2.82Å; L511-Y518 HydrophobicContact CD1-CD1 3.66Å; L511-Y518 HydrophobicContact CD1-CE1 3.97Å; L511-G557 VanDerWaalsContact CD1-O 3.22Å; L511-G557 WeakPolarHBondContact CD1-O 3.3Å; L511-Y558 HydrophobicContact CD2-CG 4.49Å
512	W	98.6	Very high	96.2	Very high	130 Å²	130	50.8 Å²	50.8	49%	0.492	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-37.3	179	-70	-5	0	0	0	113.1	A505 R508 R509 A514 G515 L516 N517	A505-W512 HydrophobicContact CB-CH2 4.47Å; A505-W512 HydrophobicContact CB-CZ3 4.25Å; R508-W512 HydrophobicContact CB-CD2 3.94Å; R508-W512 HydrophobicContact CB-CE3 4.43Å; R508-W512 HydrophobicContact CB-CG 4.4Å; R508-W512 HydrophobicContact CB-CH2 4.27Å; R508-W512 HydrophobicContact CB-CZ2 3.75Å; R508-W512 HydrophobicContact CG-CZ2 4.19Å; R508-W512 PolarHBondContact O-N 3.01Å; R509-W512 PolarHBondContact O-N 3.29Å; R509-W512 VanDerWaalsContact O-N 3.12Å; W512-A514 PolarHBondContact O-N 2.76Å; W512-A514 VanDerWaalsContact O-N 3.08Å; W512-G515 PolarHBondContact O-N 2.89Å; W512-L516 PolarHBondContact N-O 3.41Å; W512-N517 PolarHBondContact NE1-OD1 2.66Å; W512-N517 VanDerWaalsContact NE1-OD1 3.09Å
513	D	98.2	Very high	96.3	Very high	114 Å²	114	44.8 Å²	44.8	61%	0.61	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.1	175.1	-72.7	-16.7	0	0	0	112.4	R509 L511	R509-D513 IonicContact NE-OD2 3.28Å; R509-D513 PolarHBondContact O-N 2.57Å; L511-D513 VanDerWaalsContact C-N 3.29Å; L511-D513 PolarHBondContact O-N 3.39Å
514	A	97.9	Very high	96.3	Very high	40 Å²	40	45.2 Å²	45.2	33%	0.331	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	7.8	174.2	0	0	0	0	0	114.2	R481 L511 W512 L516	R481-A514 VanDerWaalsContact CZ-CB 3.48Å; L511-A514 CarbonylContact O-C 3.6Å; L511-A514 WeakPolarHBondContact O-CA 3.19Å; L511-A514 PolarHBondContact O-N 2.93Å; W512-A514 PolarHBondContact O-N 2.76Å; W512-A514 VanDerWaalsContact O-N 3.08Å; A514-L516 VanDerWaalsContact C-N 3.27Å; A514-L516 HydrophobicContact CB-CD1 4.46Å; A514-L516 HydrophobicContact CB-CG 4.2Å; A514-L516 PolarHBondContact O-N 2.9Å
515	G	97.9	Very high	96.4	Very high	71 Å²	71	45 Å²	45	73%	0.732	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	18.5	-176.6	0	0	0	0	0	114.5	L511 W512	L511-G515 PolarHBondContact O-N 2.88Å; W512-G515 PolarHBondContact O-N 2.89Å
516	L	98	Very high	96.5	Very high	26 Å²	26	42.9 Å²	42.9	14%	0.136	25%	0.249	C	C	.	.			trans	-98.8	159.3	176.5	-53.5	-176.9	0	0	0	110.7	F474 L511 W512 A514 Y558	F474-L516 HydrophobicContact CE2-CD1 4.26Å; F474-L516 HydrophobicContact CZ-CD1 4.43Å; F474-L516 HydrophobicContact CZ-CD2 4.44Å; L511-L516 CarbonylContact C-O 3.57Å; L511-L516 VanDerWaalsContact C-O 3.25Å; L511-L516 HydrophobicContact CB-CB 4.01Å; L511-L516 HydrophobicContact CD2-CB 3.86Å; L511-L516 HydrophobicContact CD2-CD1 4.02Å; L511-L516 PolarHBondContact O-N 2.82Å; W512-L516 PolarHBondContact N-O 3.41Å; A514-L516 VanDerWaalsContact C-N 3.27Å; A514-L516 HydrophobicContact CB-CD1 4.46Å; A514-L516 HydrophobicContact CB-CG 4.2Å; A514-L516 PolarHBondContact O-N 2.9Å; L516-Y558 HydrophobicContact CB-CD2 3.97Å; L516-Y558 HydrophobicContact CB-CE2 3.84Å; L516-Y558 HydrophobicContact CD1-CD2 4.33Å; L516-Y558 HydrophobicContact CD1-CE2 4.1Å; L516-Y558 HydrophobicContact CD2-CE2 3.75Å; L516-Y558 HydrophobicContact CG-CE2 4.1Å
517	N	96.6	Very high	96.5	Very high	85 Å²	85	38.9 Å²	38.9	46%	0.455	23%	0.232	S	C	.	.			trans	-158.4	170.5	176	-162.9	23.3	0	0	0	111.3	R508 W512	R508-N517 PolarHBondContact NH1-OD1 2.86Å; W512-N517 PolarHBondContact NE1-OD1 2.66Å; W512-N517 VanDerWaalsContact NE1-OD1 3.09Å
518	Y	94.1	Very high	96.4	Very high	6 Å²	6	39.4 Å²	39.4	2%	0.024	23%	0.234	C	C	.	.			trans	-126.5	147.4	169.5	54.6	-83.2	0	0	0	112	R508 L511 H520 T522 P556 G557	R508-Y518 HydrophobicContact CG-CE1 3.71Å; R508-Y518 VanDerWaalsContact CG-OH 3.24Å; R508-Y518 WeakPolarHBondContact CG-OH 3.47Å; R508-Y518 VanDerWaalsContact CZ-CE2 3.43Å; R508-Y518 PolarHBondContact NH1-O 3.23Å; R508-Y518 VanDerWaalsContact NH2-CE2 3.34Å; L511-Y518 HydrophobicContact CD1-CD1 3.66Å; L511-Y518 HydrophobicContact CD1-CE1 3.97Å; Y518-H520 AromaticContact CD2-CD2 3.95Å; Y518-H520 AromaticContact CD2-CE1 3.81Å; Y518-H520 AromaticContact CD2-NE2 3.65Å; Y518-H520 WeakPolarHBondContact CD2-O 3.4Å; Y518-H520 WeakPolarHBondContact CE2-O 3.31Å; Y518-T522 PolarHBondContact OH-OG1 3.4Å; Y518-P556 HydrophobicContact CE1-CB 4Å; Y518-G557 VanDerWaalsContact CB-O 3.3Å; Y518-G557 WeakPolarHBondContact CB-O 3.38Å; Y518-G557 WeakPolarHBondContact CD1-O 3.2Å
519	G	85.3	Confident	96.3	Very high	86 Å²	86	38.3 Å²	38.3	89%	0.887	23%	0.23	S	C	*	.	S	Bend	trans	-90.9	8.1	-168.5	0	0	0	0	0	116.7
520	H	89.2	Confident	96.3	Very high	37 Å²	37	31.1 Å²	31.1	17%	0.171	20%	0.203	C	C	.	.	S	Bend	trans	-121.1	173.6	177.5	60.8	95.7	0	0	0	111.3	R508 Y518 E555 Y559	R508-H520 PolarHBondContact NH2-O 2.88Å; Y518-H520 AromaticContact CD2-CD2 3.95Å; Y518-H520 AromaticContact CD2-CE1 3.81Å; Y518-H520 AromaticContact CD2-NE2 3.65Å; Y518-H520 WeakPolarHBondContact CD2-O 3.4Å; Y518-H520 WeakPolarHBondContact CE2-O 3.31Å; H520-E555 PolarHBondContact CE1-O 2.99Å; H520-E555 VanDerWaalsContact CE1-O 3.27Å; H520-E555 IonicContact CE1-OE2 3.89Å; H520-E555 IonicContact ND1-OE2 3.2Å; H520-Y559 AromaticContact CD2-CE2 3.6Å; H520-Y559 AromaticContact NE2-CE2 3.4Å; H520-Y559 WeakPolarHBondContact NE2-CE2 3.33Å; H520-Y559 AromaticContact NE2-CZ 3.73Å; H520-Y559 PolarHBondContact NE2-OH 2.71Å; H520-Y559 VanDerWaalsContact NE2-OH 3.15Å
521	G	90.6	Very high	96.2	Very high	21 Å²	21	31.5 Å²	31.5	22%	0.216	21%	0.205	C	C	.	.			trans	-67.2	163.5	174.2	0	0	0	0	0	112.2	G523	G521-G523 VanDerWaalsContact C-N 3.32Å
522	T	97.3	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-82.2	-11.7	-179	-61	0	0	0	0	113.8	L489 E504 A507 Y518 E555	L489-T522 HydrophobicContact CD2-CG2 3.48Å; L489-T522 VanDerWaalsContact CD2-CG2 3.48Å; E504-T522 HydrophobicContact CG-CG2 4.46Å; E504-T522 WeakPolarHBondContact CG-OG1 3.44Å; E504-T522 PolarHBondContact OE1-OG1 2.95Å; A507-T522 HydrophobicContact CB-CG2 3.34Å; Y518-T522 PolarHBondContact OH-OG1 3.4Å; T522-E555 VanDerWaalsContact O-CG 3.24Å; T522-E555 WeakPolarHBondContact O-CG 3.44Å; T522-E555 PolarHBondContact O-N 3.42Å
523	G	97.3	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	19%	0.191	C	C	.	.			trans	168.2	176.5	176.9	0	0	0	0	0	113	G521 F539 Q540 S553 E555	G521-G523 VanDerWaalsContact C-N 3.32Å; G523-F539 WeakPolarHBondContact O-CD2 3.29Å; G523-Q540 PolarHBondContact O-NE2 3.27Å; G523-S553 WeakPolarHBondContact CA-O 3.47Å; G523-S553 VanDerWaalsContact CA-OG 3.26Å; G523-S553 WeakPolarHBondContact CA-OG 3.49Å; G523-E555 WeakPolarHBondContact CA-OE1 3.41Å
524	H	98.1	Very high	96	Very high	18 Å²	18	22.2 Å²	22.2	8%	0.083	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	169.1	-177.2	51.7	80	0	0	0	110	D461 I526 V532 H533 T552 S553 E555 E569	D461-H524 IonicContact OD2-CE1 3.5Å; D461-H524 PolarHBondContact OD2-CE1 3.48Å; D461-H524 VanDerWaalsContact OD2-CE1 3.25Å; D461-H524 IonicContact OD2-NE2 3.2Å; D461-H524 PolarHBondContact OD2-NE2 2.9Å; H524-I526 WeakPolarHBondContact CE1-CD1 3.37Å; H524-V532 PolarHBondContact CE1-O 2.96Å; H524-V532 PolarHBondContact ND1-O 2.84Å; H524-H533 AromaticContact CD2-CD2 3.42Å; H524-H533 PolarHBondContact CD2-CD2 3.4Å; H524-H533 VanDerWaalsContact CD2-CD2 3.42Å; H524-H533 AromaticContact CD2-NE2 3.92Å; H524-H533 AromaticContact CE1-CD2 3.37Å; H524-H533 PolarHBondContact CE1-CD2 2.78Å; H524-H533 AromaticContact CG-CD2 3.49Å; H524-H533 VanDerWaalsContact CG-CD2 3.49Å; H524-H533 AromaticContact ND1-CD2 3.47Å; H524-H533 PolarHBondContact ND1-CD2 3.31Å; H524-H533 AromaticContact NE2-CD2 3.38Å; H524-H533 PolarHBondContact NE2-CD2 2.85Å; H524-H533 AromaticContact NE2-NE2 3.69Å; H524-T552 CarbonylContact O-C 2.96Å; H524-T552 WeakPolarHBondContact O-CA 3.1Å; H524-T552 WeakPolarHBondContact O-CB 3.44Å; H524-T552 PolarHBondContact O-OG1 2.9Å; H524-S553 PolarHBondContact CD2-OG 3.47Å; H524-S553 PolarHBondContact CE1-OG 3.42Å; H524-S553 VanDerWaalsContact CE1-OG 3.3Å; H524-S553 PolarHBondContact N-OG 3.19Å; H524-S553 PolarHBondContact NE2-OG 3.49Å; H524-S553 PolarHBondContact O-N 3.39Å; H524-E555 IonicContact CD2-OE1 2.7Å; H524-E555 PolarHBondContact CD2-OE1 2.87Å; H524-E555 IonicContact NE2-OE1 2.72Å; H524-E555 PolarHBondContact NE2-OE1 3.18Å; H524-E569 IonicContact NE2-OE1 2.64Å
525	G	98.3	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	154.5	171.9	0	0	0	0	0	112.7	E534 V537 F551	G525-E534 WeakPolarHBondContact CA-O 3.33Å; G525-E534 PolarHBondContact O-N 2.95Å; G525-V537 PolarHBondContact N-O 2.74Å; G525-F551 VanDerWaalsContact CA-O 3.32Å; G525-F551 WeakPolarHBondContact CA-O 3.06Å
526	I	98.6	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.131	C	C	.	.			trans	-116.7	124.4	173.3	-54.1	-61.7	0	0	0	110	K357 T459 D461 H524 V532 F551 V571	K357-I526 WeakPolarHBondContact CE-O 3.2Å; K357-I526 PolarHBondContact NZ-O 2.83Å; T459-I526 WeakPolarHBondContact O-CG2 3.48Å; D461-I526 HydrophobicContact CB-CD1 4.04Å; H524-I526 WeakPolarHBondContact CE1-CD1 3.37Å; I526-V532 HydrophobicContact CD1-CG2 4.41Å; I526-V532 VanDerWaalsContact CD1-O 3.29Å; I526-V532 WeakPolarHBondContact CD1-O 3.32Å; I526-F551 HydrophobicContact CB-CB 4.05Å; I526-F551 PolarHBondContact N-O 3.4Å; I526-F551 VanDerWaalsContact N-O 3.12Å; I526-V571 HydrophobicContact CB-CG1 4.4Å; I526-V571 HydrophobicContact CD1-CG2 4.04Å; I526-V571 HydrophobicContact CG1-CB 4.45Å; I526-V571 HydrophobicContact CG1-CG1 3.79Å; I526-V571 HydrophobicContact CG1-CG2 3.81Å
527	G	97.6	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.125	C	C	.	.			trans	-75.7	165.2	176.4	0	0	0	0	0	113.7	T459 C531	T459-G527 WeakPolarHBondContact CB-O 3.38Å; T459-G527 PolarHBondContact OG1-O 3.34Å; G527-C531 WeakPolarHBondContact CA-O 3.43Å; G527-C531 PolarHBondContact N-O 2.81Å
528	N	96.3	Very high	95.6	Very high	10 Å²	10	16.5 Å²	16.5	5%	0.053	10%	0.103	C	C	.	.	S	Bend	trans	-102.7	95.7	173.3	-175.4	26.5	0	0	0	110.3	R252 E361 L365 D457 G458 L530	R252-N528 PolarHBondContact NH2-O 3.12Å; E361-N528 WeakPolarHBondContact CG-ND2 3.21Å; L365-N528 HydrophobicContact CD1-CB 3.99Å; L365-N528 HydrophobicContact CG-CB 4.21Å; D457-N528 PolarHBondContact O-OD1 3.23Å; G458-N528 VanDerWaalsContact CA-OD1 3.3Å; G458-N528 WeakPolarHBondContact CA-OD1 3.04Å; G458-N528 PolarHBondContact N-OD1 3.28Å; N528-L530 VanDerWaalsContact C-N 3.32Å
529	F	97.7	Very high	95.7	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	10%	0.102	C	C	.	.	S	Bend	trans	51.7	53.5	-168.8	-169.2	-145.6	0	0	0	110.6	L207 R252 P260 Q454 Y455 W456 T459	L207-F529 HydrophobicContact CD1-CD1 4.02Å; L207-F529 HydrophobicContact CD2-CD1 3.79Å; L207-F529 HydrophobicContact CD2-CE1 3.61Å; R252-F529 HydrophobicContact CB-CE1 4.32Å; R252-F529 HydrophobicContact CG-CD1 4Å; R252-F529 HydrophobicContact CG-CE1 3.75Å; R252-F529 PolarHBondContact NE-O 3.39Å; R252-F529 PolarHBondContact NH2-O 2.98Å; P260-F529 HydrophobicContact CB-CD2 3.97Å; P260-F529 HydrophobicContact CB-CE1 4.46Å; P260-F529 HydrophobicContact CB-CE2 3.47Å; P260-F529 VanDerWaalsContact CB-CE2 3.47Å; P260-F529 HydrophobicContact CB-CZ 3.75Å; P260-F529 HydrophobicContact CG-CD2 3.59Å; P260-F529 HydrophobicContact CG-CE2 3.65Å; P260-F529 HydrophobicContact CG-CG 4.16Å; P260-F529 HydrophobicContact CG-CZ 4.29Å; P260-F529 VanDerWaalsContact CG-O 3.25Å; P260-F529 WeakPolarHBondContact CG-O 3.4Å; Q454-F529 HydrophobicContact CB-CD2 4.12Å; Q454-F529 HydrophobicContact CB-CE2 4.05Å; Y455-F529 WeakPolarHBondContact O-CB 3.3Å; Y455-F529 WeakPolarHBondContact O-CD2 3.49Å; Y455-F529 WeakPolarHBondContact O-CG 3.25Å; W456-F529 HydrophobicContact CB-CD1 4.44Å; W456-F529 HydrophobicContact CB-CE1 4.42Å; W456-F529 AromaticContact CD1-CE1 3.66Å; W456-F529 AromaticContact CD1-CZ 3.61Å; W456-F529 HydrophobicContact CG-CE1 4.14Å; W456-F529 HydrophobicContact CG-CZ 4.49Å; T459-F529 WeakPolarHBondContact OG1-CA 3.4Å; T459-F529 PolarHBondContact OG1-N 3.07Å; T459-F529 VanDerWaalsContact OG1-N 3.12Å
530	L	96.6	Very high	96	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.072	C	C	.	.	S	Bend	trans	-148.3	-148.2	-177.5	-75.8	175.3	0	0	0	107.6	E243 A246 W247 Q454 T459 N528	E243-L530 HydrophobicContact CB-CD2 4.25Å; A246-L530 HydrophobicContact CB-CD2 4.05Å; W247-L530 HydrophobicContact CB-CD1 4Å; W247-L530 HydrophobicContact CG-CD1 4.4Å; Q454-L530 PolarHBondContact NE2-O 3.02Å; T459-L530 PolarHBondContact OG1-N 2.84Å; T459-L530 PolarHBondContact OG1-O 3.21Å; N528-L530 VanDerWaalsContact C-N 3.32Å
531	C	97.2	Very high	95.9	Very high	15 Å²	15	18.4 Å²	18.4	10%	0.101	10%	0.102	C	C	.	.			trans	-58.8	138.4	175.2	-61.9	0	0	0	0	112.1	E243 N259 F261 G527 E534	E243-C531 PolarHBondContact OE2-SG 2.89Å; N259-C531 WeakPolarHBondContact OD1-CA 3.21Å; F261-C531 WeakPolarHBondContact CE1-SG 3.19Å; G527-C531 WeakPolarHBondContact CA-O 3.43Å; G527-C531 PolarHBondContact N-O 2.81Å; C531-E534 HydrophobicContact CB-CB 4.42Å
532	V	98.2	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-68.7	-38.6	164	69.7	0	0	0	0	110.6	S415 F416 T459 D461 H524 I526 E534	S415-V532 WeakPolarHBondContact O-CG1 3.12Å; F416-V532 HydrophobicContact CB-CG1 4.47Å; F416-V532 HydrophobicContact CD1-CB 4.4Å; F416-V532 HydrophobicContact CD1-CG1 4.04Å; F416-V532 HydrophobicContact CD1-CG2 4Å; F416-V532 HydrophobicContact CE1-CG2 4.13Å; T459-V532 HydrophobicContact CG2-CB 3.96Å; T459-V532 HydrophobicContact CG2-CG2 4.16Å; D461-V532 HydrophobicContact CB-CG2 3.76Å; D461-V532 VanDerWaalsContact OD2-CG2 3.24Å; D461-V532 WeakPolarHBondContact OD2-CG2 3.46Å; H524-V532 PolarHBondContact CE1-O 2.96Å; H524-V532 PolarHBondContact ND1-O 2.84Å; I526-V532 HydrophobicContact CD1-CG2 4.41Å; I526-V532 VanDerWaalsContact CD1-O 3.29Å; I526-V532 WeakPolarHBondContact CD1-O 3.32Å; V532-E534 PolarHBondContact O-N 2.97Å
533	H	97.1	Very high	95.5	Very high	45 Å²	45	21.6 Å²	21.6	21%	0.208	11%	0.114	C	C	.	.	S	Bend	trans	-96.7	82.8	171.1	-55.6	140.7	0	0	0	110.5	E80 H524	E80-H533 IonicContact OE1-CE1 2.65Å; E80-H533 PolarHBondContact OE1-CE1 3.14Å; E80-H533 VanDerWaalsContact OE1-CE1 3.28Å; E80-H533 IonicContact OE1-CG 3.33Å; E80-H533 IonicContact OE1-ND1 3.98Å; E80-H533 PolarHBondContact OE1-ND1 3.43Å; E80-H533 VanDerWaalsContact OE2-CB 3.31Å; E80-H533 WeakPolarHBondContact OE2-CB 3.3Å; E80-H533 IonicContact OE2-CE1 3.4Å; E80-H533 IonicContact OE2-CG 3.88Å; E80-H533 IonicContact OE2-ND1 3.23Å; E80-H533 PolarHBondContact OE2-ND1 3.31Å; H524-H533 AromaticContact CD2-CD2 3.42Å; H524-H533 PolarHBondContact CD2-CD2 3.4Å; H524-H533 VanDerWaalsContact CD2-CD2 3.42Å; H524-H533 AromaticContact CD2-NE2 3.92Å; H524-H533 AromaticContact CE1-CD2 3.37Å; H524-H533 PolarHBondContact CE1-CD2 2.78Å; H524-H533 AromaticContact CG-CD2 3.49Å; H524-H533 VanDerWaalsContact CG-CD2 3.49Å; H524-H533 AromaticContact ND1-CD2 3.47Å; H524-H533 PolarHBondContact ND1-CD2 3.31Å; H524-H533 AromaticContact NE2-CD2 3.38Å; H524-H533 PolarHBondContact NE2-CD2 2.85Å; H524-H533 AromaticContact NE2-NE2 3.69Å
534	E	96.3	Very high	95.4	Very high	4 Å²	4	23 Å²	23	2%	0.019	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.9	-175.8	-170.1	175.1	66.1	0	0	113	K354 K357 G525 C531 V532	K354-E534 VanDerWaalsContact NZ-CD 3.31Å; K354-E534 IonicContact NZ-OE2 3.55Å; K354-E534 PolarHBondContact NZ-OE2 3.48Å; K357-E534 WeakPolarHBondContact CE-OE1 3.31Å; K357-E534 IonicContact NZ-OE1 3.53Å; K357-E534 PolarHBondContact NZ-OE1 3.01Å; G525-E534 WeakPolarHBondContact CA-O 3.33Å; G525-E534 PolarHBondContact O-N 2.95Å; C531-E534 HydrophobicContact CB-CB 4.42Å; V532-E534 PolarHBondContact O-N 2.97Å
535	W	93.3	Very high	95.4	Very high	100 Å²	100	24.1 Å²	24.1	38%	0.379	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	151.3	169.5	-67.3	92.2	0	0	0	111.7	M351 K354 N542 N543	M351-W535 HydrophobicContact SD-CB 4.3Å; K354-W535 PolarHBondContact NZ-O 3.02Å; W535-N542 VanDerWaalsContact CZ3-ND2 3.32Å; W535-N542 WeakPolarHBondContact CZ3-ND2 3.48Å; W535-N542 WeakPolarHBondContact CZ3-OD1 3.43Å; W535-N543 VanDerWaalsContact CZ3-ND2 3.28Å; W535-N543 WeakPolarHBondContact CZ3-ND2 3.1Å
536	P	95.6	Very high	95.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-106.7	25.3	4.3	36.5	-24	0	0	0	113.6	Y347 M351 M352 N543 I544	Y347-P536 HydrophobicContact CD1-CB 3.89Å; Y347-P536 HydrophobicContact CD1-CG 4.33Å; Y347-P536 HydrophobicContact CD2-CB 3.61Å; Y347-P536 HydrophobicContact CD2-CG 3.86Å; Y347-P536 HydrophobicContact CE1-CB 3.6Å; Y347-P536 HydrophobicContact CE2-CB 3.27Å; Y347-P536 HydrophobicContact CE2-CG 4.04Å; Y347-P536 HydrophobicContact CG-CB 3.91Å; Y347-P536 HydrophobicContact CG-CG 4.02Å; M351-P536 HydrophobicContact CG-CG 4.31Å; M352-P536 HydrophobicContact SD-CG 3.98Å; P536-N543 VanDerWaalsContact O-CA 3.27Å; P536-N543 WeakPolarHBondContact O-CA 3.34Å; P536-N543 VanDerWaalsContact O-CB 3.23Å; P536-N543 WeakPolarHBondContact O-CB 3.28Å; P536-N543 PolarHBondContact O-ND2 2.81Å; P536-I544 HydrophobicContact CB-CG1 4.36Å; P536-I544 HydrophobicContact CB-CG2 4.06Å; P536-I544 HydrophobicContact CG-CB 4.49Å; P536-I544 HydrophobicContact CG-CD1 3.71Å; P536-I544 HydrophobicContact CG-CG1 3.88Å; P536-I544 HydrophobicContact CG-CG2 3.87Å; P536-I544 PolarHBondContact O-N 3Å
537	V	97.4	Very high	95.2	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	138.9	179.7	-176.5	0	0	0	0	109.6	A355 G525 M546 M550	A355-V537 HydrophobicContact CB-CG2 3.85Å; G525-V537 PolarHBondContact N-O 2.74Å; V537-M546 HydrophobicContact CG1-CE 4.32Å; V537-M546 HydrophobicContact CG1-SD 3.98Å; V537-M550 HydrophobicContact CG1-CB 4.18Å; V537-M550 HydrophobicContact CG1-SD 4.21Å; V537-M550 HydrophobicContact CG2-CB 4.23Å; V537-M550 HydrophobicContact CG2-CE 4.13Å; V537-M550 HydrophobicContact CG2-CG 3.88Å; V537-M550 HydrophobicContact CG2-SD 3.73Å
538	G	96.3	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.8	-165	177.2	0	0	0	0	0	113.3	N543 M546	G538-N543 VanDerWaalsContact CA-CG 3.5Å; G538-N543 VanDerWaalsContact CA-OD1 3.26Å; G538-N543 WeakPolarHBondContact CA-OD1 3.23Å; G538-M546 WeakPolarHBondContact O-CE 3.38Å
539	F	96.4	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-115.8	3.2	-174.5	-59.2	-98.9	0	0	0	113.9	L489 G500 R501 V503 E504 G523 N543 M546 T552 F588	L489-F539 HydrophobicContact CD1-CE1 4.15Å; L489-F539 HydrophobicContact CD2-CD1 4.39Å; L489-F539 HydrophobicContact CD2-CE1 3.59Å; L489-F539 HydrophobicContact CD2-CZ 3.73Å; L489-F539 HydrophobicContact CG-CE1 4.38Å; G500-F539 VanDerWaalsContact O-CD1 3.26Å; G500-F539 WeakPolarHBondContact O-CD1 3.46Å; R501-F539 VanDerWaalsContact CA-O 3.23Å; R501-F539 WeakPolarHBondContact CA-O 3.37Å; R501-F539 WeakPolarHBondContact CB-O 3.3Å; R501-F539 VanDerWaalsContact CD-O 3.24Å; R501-F539 WeakPolarHBondContact CD-O 3.18Å; V503-F539 HydrophobicContact CG2-CD1 4.31Å; V503-F539 HydrophobicContact CG2-CE1 4Å; E504-F539 HydrophobicContact CB-CB 4.36Å; E504-F539 HydrophobicContact CB-CD1 4.37Å; E504-F539 HydrophobicContact CG-CB 4.08Å; G523-F539 WeakPolarHBondContact O-CD2 3.29Å; F539-N543 PolarHBondContact N-OD1 3.1Å; F539-M546 HydrophobicContact CD2-CE 4.44Å; F539-M546 HydrophobicContact CE1-CE 4.11Å; F539-M546 HydrophobicContact CE2-CE 4.01Å; F539-M546 HydrophobicContact CZ-CE 3.82Å; F539-T552 HydrophobicContact CE2-CG2 4.32Å; F539-T552 WeakPolarHBondContact CE2-OG1 3.47Å; F539-T552 HydrophobicContact CZ-CG2 4.35Å; F539-F588 HydrophobicContact CZ-CZ 4.49Å
540	Q	90.5	Very high	95.4	Very high	57 Å²	57	30.8 Å²	30.8	27%	0.266	17%	0.169	S	C	.	.	S	Bend	trans	-79.5	166	174.8	-54	95.7	31	0	0	112.3	G523 N542 N543	G523-Q540 PolarHBondContact O-NE2 3.27Å; Q540-N542 VanDerWaalsContact C-N 3.27Å; Q540-N542 WeakPolarHBondContact CB-OD1 3.5Å; Q540-N542 PolarHBondContact O-N 2.8Å; Q540-N543 WeakPolarHBondContact CA-OD1 3.31Å; Q540-N543 WeakPolarHBondContact CB-OD1 3.44Å; Q540-N543 PolarHBondContact N-OD1 3.39Å; Q540-N543 PolarHBondContact O-N 3.01Å; Q540-N543 PolarHBondContact O-OD1 3.35Å; Q540-N543 PolarHBondContact OE1-ND2 3.49Å; Q540-N543 PolarHBondContact OE1-OD1 2.93Å
541	S	86.6	Confident	95.5	Very high	112 Å²	112	30.7 Å²	30.7	78%	0.783	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.8	-173.9	50.9	0	0	0	0	114.8
542	N	85.6	Confident	95.6	Very high	76 Å²	76	30 Å²	30	41%	0.406	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.2	178.8	60.5	-23.9	0	0	0	113.2	Y347 W535 Q540	Y347-N542 PolarHBondContact OH-O 3.45Å; W535-N542 VanDerWaalsContact CZ3-ND2 3.32Å; W535-N542 WeakPolarHBondContact CZ3-ND2 3.48Å; W535-N542 WeakPolarHBondContact CZ3-OD1 3.43Å; Q540-N542 VanDerWaalsContact C-N 3.27Å; Q540-N542 WeakPolarHBondContact CB-OD1 3.5Å; Q540-N542 PolarHBondContact O-N 2.8Å
543	N	94.1	Very high	95.6	Very high	12 Å²	12	30 Å²	30	6%	0.064	16%	0.164	C	C	.	.	S	Bend	trans	-73.5	153	176.9	-62.9	127.6	0	0	0	112.7	W535 P536 G538 F539 Q540	W535-N543 VanDerWaalsContact CZ3-ND2 3.28Å; W535-N543 WeakPolarHBondContact CZ3-ND2 3.1Å; P536-N543 VanDerWaalsContact O-CA 3.27Å; P536-N543 WeakPolarHBondContact O-CA 3.34Å; P536-N543 VanDerWaalsContact O-CB 3.23Å; P536-N543 WeakPolarHBondContact O-CB 3.28Å; P536-N543 PolarHBondContact O-ND2 2.81Å; G538-N543 VanDerWaalsContact CA-CG 3.5Å; G538-N543 VanDerWaalsContact CA-OD1 3.26Å; G538-N543 WeakPolarHBondContact CA-OD1 3.23Å; F539-N543 PolarHBondContact N-OD1 3.1Å; Q540-N543 WeakPolarHBondContact CA-OD1 3.31Å; Q540-N543 WeakPolarHBondContact CB-OD1 3.44Å; Q540-N543 PolarHBondContact N-OD1 3.39Å; Q540-N543 PolarHBondContact O-N 3.01Å; Q540-N543 PolarHBondContact O-OD1 3.35Å; Q540-N543 PolarHBondContact OE1-ND2 3.49Å; Q540-N543 PolarHBondContact OE1-OD1 2.93Å
544	I	95.7	Very high	95.7	Very high	30 Å²	30	27.9 Å²	27.9	15%	0.154	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-76.3	167.1	175.9	64.9	170.3	0	0	0	111.9	Y347 M352 P536 M550	Y347-I544 HydrophobicContact CD2-CG2 3.98Å; Y347-I544 HydrophobicContact CE2-CG2 3.98Å; M352-I544 HydrophobicContact CE-CD1 3.57Å; M352-I544 HydrophobicContact CE-CG2 4.08Å; M352-I544 HydrophobicContact SD-CD1 3.95Å; M352-I544 HydrophobicContact SD-CG2 3.93Å; P536-I544 HydrophobicContact CB-CG1 4.36Å; P536-I544 HydrophobicContact CB-CG2 4.06Å; P536-I544 HydrophobicContact CG-CB 4.49Å; P536-I544 HydrophobicContact CG-CD1 3.71Å; P536-I544 HydrophobicContact CG-CG1 3.88Å; P536-I544 HydrophobicContact CG-CG2 3.87Å; P536-I544 PolarHBondContact O-N 3Å; I544-M550 HydrophobicContact CD1-CE 3.35Å; I544-M550 HydrophobicContact CG1-CE 4.03Å
545	A	97.2	Very high	95.8	Very high	41 Å²	41	28.8 Å²	28.8	34%	0.339	16%	0.158	S	C	.	.	B	Isolated β-bridge	trans	-64	141.3	173.1	0	0	0	0	0	111.9	A497 A547	A497-A545 HydrophobicContact CB-CB 4.35Å; A497-A545 WeakPolarHBondContact O-CB 3.49Å; A545-A547 PolarHBondContact O-N 3.44Å
546	M	96.9	Very high	96	Very high	2 Å²	2	24 Å²	24	1%	0.01	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-65.1	134	179.2	-67.4	-68	-173.8	0	0	110.6	F494 T498 V537 G538 F539 T552 V574 L586	F494-M546 HydrophobicContact CE2-CB 3.95Å; F494-M546 HydrophobicContact CZ-CB 4.32Å; T498-M546 PolarHBondContact O-N 3.08Å; V537-M546 HydrophobicContact CG1-CE 4.32Å; V537-M546 HydrophobicContact CG1-SD 3.98Å; G538-M546 WeakPolarHBondContact O-CE 3.38Å; F539-M546 HydrophobicContact CD2-CE 4.44Å; F539-M546 HydrophobicContact CE1-CE 4.11Å; F539-M546 HydrophobicContact CE2-CE 4.01Å; F539-M546 HydrophobicContact CZ-CE 3.82Å; M546-T552 HydrophobicContact CE-CG2 4.38Å; M546-V574 HydrophobicContact SD-CG2 4.28Å; M546-L586 WeakPolarHBondContact O-CD1 3.41Å
547	A	97.6	Very high	96.2	Very high	35 Å²	35	24 Å²	24	29%	0.289	14%	0.14	S	C	.	.			trans	-131.2	149.7	178.2	0	0	0	0	0	111	V356 A545 G549 M550 V574	V356-A547 HydrophobicContact CG2-CB 4.38Å; A545-A547 PolarHBondContact O-N 3.44Å; A547-G549 PolarHBondContact O-N 2.85Å; A547-M550 HydrophobicContact CB-CE 3.78Å; A547-M550 HydrophobicContact CB-CG 4.5Å; A547-M550 HydrophobicContact CB-SD 4.02Å; A547-M550 PolarHBondContact N-SD 3.14Å; A547-M550 WeakPolarHBondContact O-CB 3.36Å; A547-M550 WeakPolarHBondContact O-CG 3.48Å; A547-M550 PolarHBondContact O-N 3.03Å; A547-M550 VanDerWaalsContact O-N 3.16Å; A547-V574 WeakPolarHBondContact O-CB 3.45Å; A547-V574 WeakPolarHBondContact O-CG1 3.47Å
548	K	98.3	Very high	96.2	Very high	109 Å²	109	24.9 Å²	24.9	47%	0.474	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	131.4	174.4	-178.9	-167.9	-173.7	173.8	0	110.4	V356 V574 E576 L586	V356-K548 VanDerWaalsContact CG1-O 3.29Å; V356-K548 WeakPolarHBondContact CG1-O 3.41Å; K548-V574 WeakPolarHBondContact CA-O 3.17Å; K548-E576 HydrophobicContact CD-CG 4.02Å; K548-E576 WeakPolarHBondContact CD-OE1 3.15Å; K548-E576 WeakPolarHBondContact CE-OE1 3.09Å; K548-E576 IonicContact NZ-OE1 2.74Å; K548-E576 PolarHBondContact NZ-OE1 3.33Å; K548-E576 IonicContact NZ-OE2 3.84Å; K548-L586 HydrophobicContact CB-CD2 4.14Å
549	G	98.3	Very high	96.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-7.4	-179.3	0	0	0	0	0	114.6	K357 A547 V574	K357-G549 WeakPolarHBondContact CB-O 3.29Å; K357-G549 PolarHBondContact N-O 2.74Å; A547-G549 PolarHBondContact O-N 2.85Å; G549-V574 PolarHBondContact N-O 3.26Å
550	M	98.7	Very high	96	Very high	4 Å²	4	30 Å²	30	2%	0.02	17%	0.165	C	C	.	.			trans	-75	139.5	170.4	-68.2	175.5	172.7	0	0	110.7	A355 V356 V537 I544 A547 L573 V574	A355-M550 HydrophobicContact CB-CE 4.37Å; A355-M550 WeakPolarHBondContact O-CG 3.4Å; V356-M550 HydrophobicContact CG2-CE 3.86Å; V356-M550 HydrophobicContact CG2-CG 4.11Å; V537-M550 HydrophobicContact CG1-CB 4.18Å; V537-M550 HydrophobicContact CG1-SD 4.21Å; V537-M550 HydrophobicContact CG2-CB 4.23Å; V537-M550 HydrophobicContact CG2-CE 4.13Å; V537-M550 HydrophobicContact CG2-CG 3.88Å; V537-M550 HydrophobicContact CG2-SD 3.73Å; I544-M550 HydrophobicContact CD1-CE 3.35Å; I544-M550 HydrophobicContact CG1-CE 4.03Å; A547-M550 HydrophobicContact CB-CE 3.78Å; A547-M550 HydrophobicContact CB-CG 4.5Å; A547-M550 HydrophobicContact CB-SD 4.02Å; A547-M550 PolarHBondContact N-SD 3.14Å; A547-M550 WeakPolarHBondContact O-CB 3.36Å; A547-M550 WeakPolarHBondContact O-CG 3.48Å; A547-M550 PolarHBondContact O-N 3.03Å; A547-M550 VanDerWaalsContact O-N 3.16Å; M550-L573 WeakPolarHBondContact O-CD1 3.43Å; M550-V574 HydrophobicContact CB-CB 4.44Å; M550-V574 HydrophobicContact CB-CG2 4.1Å; M550-V574 PolarHBondContact O-N 3.08Å
551	F	98.8	Very high	95.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.4	166.1	-79.1	-105.6	0	0	0	109	K357 Q362 L365 G525 I526 V571 A572 L573 V591	K357-F551 HydrophobicContact CB-CD2 4.34Å; K357-F551 HydrophobicContact CB-CE2 4.25Å; K357-F551 HydrophobicContact CD-CD2 4.1Å; K357-F551 HydrophobicContact CG-CD2 4.12Å; K357-F551 HydrophobicContact CG-CE2 4.35Å; Q362-F551 HydrophobicContact CB-CE2 4.2Å; Q362-F551 HydrophobicContact CB-CZ 4.37Å; Q362-F551 HydrophobicContact CG-CE2 3.83Å; Q362-F551 HydrophobicContact CG-CZ 4.43Å; L365-F551 HydrophobicContact CB-CE1 3.93Å; L365-F551 HydrophobicContact CB-CE2 4.21Å; L365-F551 HydrophobicContact CB-CZ 3.7Å; L365-F551 HydrophobicContact CD1-CD1 4.37Å; L365-F551 HydrophobicContact CD1-CD2 3.7Å; L365-F551 HydrophobicContact CD1-CE1 4.32Å; L365-F551 HydrophobicContact CD1-CE2 3.6Å; L365-F551 HydrophobicContact CD1-CG 4.08Å; L365-F551 HydrophobicContact CD1-CZ 3.95Å; L365-F551 HydrophobicContact CG-CZ 4.48Å; G525-F551 VanDerWaalsContact CA-O 3.32Å; G525-F551 WeakPolarHBondContact CA-O 3.06Å; I526-F551 HydrophobicContact CB-CB 4.05Å; I526-F551 PolarHBondContact N-O 3.4Å; I526-F551 VanDerWaalsContact N-O 3.12Å; F551-V571 HydrophobicContact CB-CG1 4.47Å; F551-V571 HydrophobicContact CD1-CG1 3.85Å; F551-A572 CarbonylContact C-O 3.6Å; F551-A572 WeakPolarHBondContact CA-O 3.46Å; F551-L573 HydrophobicContact CD1-CB 4.32Å; F551-L573 HydrophobicContact CD2-CD1 3.86Å; F551-L573 HydrophobicContact CE1-CB 4.05Å; F551-L573 HydrophobicContact CE2-CB 4.47Å; F551-L573 HydrophobicContact CE2-CD1 3.67Å; F551-L573 HydrophobicContact CE2-CG 4.46Å; F551-L573 HydrophobicContact CG-CD1 4.5Å; F551-L573 HydrophobicContact CZ-CB 4.13Å; F551-L573 HydrophobicContact CZ-CD1 4.11Å; F551-L573 HydrophobicContact CZ-CD2 4.38Å; F551-L573 HydrophobicContact CZ-CG 4.43Å; F551-V591 HydrophobicContact CD1-CG2 4.33Å; F551-V591 HydrophobicContact CE1-CG1 4.28Å; F551-V591 HydrophobicContact CE1-CG2 4.06Å
552	T	98.6	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.3	177.6	-167.1	0	0	0	0	111.1	H524 F539 M546 A572 F588	H524-T552 CarbonylContact O-C 2.96Å; H524-T552 WeakPolarHBondContact O-CA 3.1Å; H524-T552 WeakPolarHBondContact O-CB 3.44Å; H524-T552 PolarHBondContact O-OG1 2.9Å; F539-T552 HydrophobicContact CE2-CG2 4.32Å; F539-T552 WeakPolarHBondContact CE2-OG1 3.47Å; F539-T552 HydrophobicContact CZ-CG2 4.35Å; M546-T552 HydrophobicContact CE-CG2 4.38Å; T552-A572 PolarHBondContact N-O 2.85Å; T552-A572 PolarHBondContact O-N 3.36Å; T552-F588 HydrophobicContact CG2-CD1 4.22Å; T552-F588 HydrophobicContact CG2-CE1 3.85Å
553	S	98.6	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	154.7	164.4	57.8	0	0	0	0	111.2	G523 H524 E569 D570	G523-S553 WeakPolarHBondContact CA-O 3.47Å; G523-S553 VanDerWaalsContact CA-OG 3.26Å; G523-S553 WeakPolarHBondContact CA-OG 3.49Å; H524-S553 PolarHBondContact CD2-OG 3.47Å; H524-S553 PolarHBondContact CE1-OG 3.42Å; H524-S553 VanDerWaalsContact CE1-OG 3.3Å; H524-S553 PolarHBondContact N-OG 3.19Å; H524-S553 PolarHBondContact NE2-OG 3.49Å; H524-S553 PolarHBondContact O-N 3.39Å; S553-E569 VanDerWaalsContact CB-OE1 3.24Å; S553-E569 WeakPolarHBondContact CB-OE1 3.41Å; S553-D570 CarbonylContact C-O 3.37Å; S553-D570 WeakPolarHBondContact CA-O 3.25Å
554	I	98.8	Very high	96	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	99.6	169.3	-60.5	177.8	0	0	0	106.1	N486 L489 S490 E569 D570 A572 F588	N486-I554 PolarHBondContact ND2-O 3.47Å; N486-I554 VanDerWaalsContact ND2-O 3.08Å; L489-I554 HydrophobicContact CB-CG2 4.14Å; L489-I554 HydrophobicContact CD2-CB 4.47Å; L489-I554 HydrophobicContact CD2-CD1 4.35Å; L489-I554 HydrophobicContact CD2-CG1 4.14Å; L489-I554 HydrophobicContact CD2-CG2 3.72Å; L489-I554 HydrophobicContact CG-CD1 4.21Å; L489-I554 HydrophobicContact CG-CG2 4.24Å; S490-I554 WeakPolarHBondContact OG-CD1 3.43Å; I554-E569 VanDerWaalsContact O-CA 3.29Å; I554-E569 WeakPolarHBondContact O-CA 3.42Å; I554-D570 PolarHBondContact N-O 2.99Å; I554-D570 PolarHBondContact O-N 2.92Å; I554-D570 VanDerWaalsContact O-N 3.12Å; I554-A572 HydrophobicContact CD1-CB 4.17Å; I554-F588 HydrophobicContact CD1-CB 4.45Å; I554-F588 HydrophobicContact CD1-CD1 4.41Å; I554-F588 HydrophobicContact CD1-CD2 4.27Å; I554-F588 HydrophobicContact CD1-CG 4.13Å
555	E	98.5	Very high	96	Very high	24 Å²	24	31 Å²	31	11%	0.112	17%	0.174	C	C	.	.			trans	-132.5	53	-163	52.9	156.5	151.5	0	0	113.4	H520 T522 G523 H524 R567 L568 E569	H520-E555 PolarHBondContact CE1-O 2.99Å; H520-E555 VanDerWaalsContact CE1-O 3.27Å; H520-E555 IonicContact CE1-OE2 3.89Å; H520-E555 IonicContact ND1-OE2 3.2Å; T522-E555 VanDerWaalsContact O-CG 3.24Å; T522-E555 WeakPolarHBondContact O-CG 3.44Å; T522-E555 PolarHBondContact O-N 3.42Å; G523-E555 WeakPolarHBondContact CA-OE1 3.41Å; H524-E555 IonicContact CD2-OE1 2.7Å; H524-E555 PolarHBondContact CD2-OE1 2.87Å; H524-E555 IonicContact NE2-OE1 2.72Å; H524-E555 PolarHBondContact NE2-OE1 3.18Å; E555-R567 HydrophobicContact CB-CG 4.33Å; E555-L568 WeakPolarHBondContact CA-O 3.32Å; E555-E569 HydrophobicContact CB-CB 3.53Å; E555-E569 HydrophobicContact CB-CG 3.68Å
556	P	98.6	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.			trans	-59	153.5	173.5	27.9	-34.8	0	0	0	111.4	V482 N486 A507 Y518 R567 L568	V482-P556 HydrophobicContact CG1-CB 4.18Å; V482-P556 HydrophobicContact CG1-CG 4.1Å; V482-P556 WeakPolarHBondContact CG1-O 3.48Å; N486-P556 HydrophobicContact CB-CG 3.67Å; A507-P556 HydrophobicContact CB-CB 4.32Å; Y518-P556 HydrophobicContact CE1-CB 4Å; P556-R567 WeakPolarHBondContact O-CA 3.48Å; P556-L568 WeakPolarHBondContact CD-O 3.28Å; P556-L568 PolarHBondContact O-N 3.23Å; P556-L568 VanDerWaalsContact O-N 3.13Å
557	G	98	Very high	96.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	179.6	178.9	0	0	0	0	0	114	L511 Y518 I566	L511-G557 VanDerWaalsContact CD1-O 3.22Å; L511-G557 WeakPolarHBondContact CD1-O 3.3Å; Y518-G557 VanDerWaalsContact CB-O 3.3Å; Y518-G557 WeakPolarHBondContact CB-O 3.38Å; Y518-G557 WeakPolarHBondContact CD1-O 3.2Å; G557-I566 CarbonylContact C-O 2.94Å; G557-I566 WeakPolarHBondContact CA-O 3.46Å
558	Y	98.3	Very high	96.2	Very high	19 Å²	19	27.7 Å²	27.7	8%	0.075	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	133.3	168.3	174	-105.9	0	0	0	109	F474 A478 L511 L516 K560 F564 G565 I566	F474-Y558 HydrophobicContact CE1-CE1 4.03Å; F474-Y558 AromaticContact CZ-CE1 3.84Å; F474-Y558 HydrophobicContact CZ-CE1 3.84Å; F474-Y558 AromaticContact CZ-CZ 3.94Å; F474-Y558 WeakPolarHBondContact CZ-OH 3.29Å; A478-Y558 HydrophobicContact CB-CD1 3.72Å; A478-Y558 HydrophobicContact CB-CE1 4.09Å; L511-Y558 HydrophobicContact CD2-CG 4.49Å; L516-Y558 HydrophobicContact CB-CD2 3.97Å; L516-Y558 HydrophobicContact CB-CE2 3.84Å; L516-Y558 HydrophobicContact CD1-CD2 4.33Å; L516-Y558 HydrophobicContact CD1-CE2 4.1Å; L516-Y558 HydrophobicContact CD2-CE2 3.75Å; L516-Y558 HydrophobicContact CG-CE2 4.1Å; Y558-K560 HydrophobicContact CE1-CB 3.98Å; Y558-F564 HydrophobicContact CD1-CE2 4.13Å; Y558-F564 HydrophobicContact CE1-CE2 4.16Å; Y558-F564 HydrophobicContact CE1-CZ 4.23Å; Y558-G565 CarbonylContact O-C 3.53Å; Y558-G565 WeakPolarHBondContact O-CA 3.3Å; Y558-I566 PolarHBondContact N-O 3.39Å; Y558-I566 PolarHBondContact O-N 3.28Å
559	Y	95.3	Very high	96.3	Very high	33 Å²	33	22.5 Å²	22.5	13%	0.129	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.6	-174.7	-53.2	-82.4	0	0	0	109.5	A426 A427 A429 H520 R567	A426-Y559 WeakPolarHBondContact O-CD1 3.5Å; A427-Y559 WeakPolarHBondContact O-CB 3.18Å; A429-Y559 HydrophobicContact CB-CE1 4.05Å; A429-Y559 HydrophobicContact CB-CE2 4.24Å; H520-Y559 AromaticContact CD2-CE2 3.6Å; H520-Y559 AromaticContact NE2-CE2 3.4Å; H520-Y559 WeakPolarHBondContact NE2-CE2 3.33Å; H520-Y559 AromaticContact NE2-CZ 3.73Å; H520-Y559 PolarHBondContact NE2-OH 2.71Å; H520-Y559 VanDerWaalsContact NE2-OH 3.15Å; Y559-R567 PolarHBondContact OH-NH1 3.46Å
560	K	93.7	Very high	96.3	Very high	75 Å²	75	22.5 Å²	22.5	33%	0.326	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	100.5	175.9	-178.8	65.1	178	-178.7	0	108.5	A427 Y558 G562 E563 F564	A427-K560 WeakPolarHBondContact CB-O 3.44Å; Y558-K560 HydrophobicContact CE1-CB 3.98Å; K560-G562 PolarHBondContact O-N 3.34Å; K560-E563 HydrophobicContact CB-CB 4.31Å; K560-E563 WeakPolarHBondContact CE-OE1 3.49Å; K560-E563 HydrophobicContact CG-CB 3.82Å; K560-E563 HydrophobicContact CG-CG 4.01Å; K560-E563 WeakPolarHBondContact CG-OE1 3.44Å; K560-E563 PolarHBondContact O-N 2.92Å; K560-F564 HydrophobicContact CB-CD1 4.3Å; K560-F564 HydrophobicContact CB-CE1 4.11Å; K560-F564 HydrophobicContact CB-CE2 4.47Å; K560-F564 HydrophobicContact CB-CZ 4.21Å; K560-F564 HydrophobicContact CG-CE1 4.32Å; K560-F564 PolarHBondContact N-O 2.59Å; K560-F564 PolarHBondContact O-N 2.8Å
561	D	83.9	Confident	96.3	Very high	137 Å²	137	22.3 Å²	22.3	73%	0.733	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.1	125.9	-178.2	-68.9	0.9	0	0	0	112.5	E563	D561-E563 PolarHBondContact O-N 3.21Å
562	G	83.3	Confident	96.3	Very high	61 Å²	61	22.3 Å²	22.3	63%	0.629	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	-1	178	0	0	0	0	0	115.6	L424 K560	L424-G562 WeakPolarHBondContact CB-O 3.33Å; K560-G562 PolarHBondContact O-N 3.34Å
563	E	92.1	Very high	96.3	Very high	107 Å²	107	22.3 Å²	22.3	50%	0.5	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-68.7	-176.6	-60.5	-173.7	-121.1	0	0	113.2	G423 L424 K560 D561	G423-E563 CarbonylContact C-O 3.47Å; L424-E563 PolarHBondContact N-O 3.32Å; L424-E563 VanDerWaalsContact N-O 3.12Å; K560-E563 HydrophobicContact CB-CB 4.31Å; K560-E563 WeakPolarHBondContact CE-OE1 3.49Å; K560-E563 HydrophobicContact CG-CB 3.82Å; K560-E563 HydrophobicContact CG-CG 4.01Å; K560-E563 WeakPolarHBondContact CG-OE1 3.44Å; K560-E563 PolarHBondContact O-N 2.92Å; D561-E563 PolarHBondContact O-N 3.21Å
564	F	96.3	Very high	96.3	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	163.3	-175.7	65.6	-92.8	0	0	0	111.4	G423 M446 F474 Q475 A478 Y558 K560 I566	G423-F564 WeakPolarHBondContact O-CA 3.45Å; M446-F564 HydrophobicContact CB-CB 4.29Å; M446-F564 HydrophobicContact CE-CD2 4.43Å; M446-F564 HydrophobicContact SD-CB 3.85Å; M446-F564 HydrophobicContact SD-CD2 3.37Å; M446-F564 WeakPolarHBondContact SD-CD2 3.21Å; M446-F564 HydrophobicContact SD-CE2 4.06Å; M446-F564 HydrophobicContact SD-CG 3.71Å; F474-F564 AromaticContact CD1-CE1 3.92Å; F474-F564 HydrophobicContact CD1-CE1 3.92Å; F474-F564 AromaticContact CD1-CZ 3.71Å; F474-F564 HydrophobicContact CD1-CZ 3.71Å; F474-F564 HydrophobicContact CE1-CE1 4.1Å; F474-F564 AromaticContact CE1-CZ 3.68Å; F474-F564 HydrophobicContact CE1-CZ 3.68Å; Q475-F564 HydrophobicContact CG-CD1 3.85Å; Q475-F564 HydrophobicContact CG-CD2 4.4Å; Q475-F564 HydrophobicContact CG-CE1 3.66Å; Q475-F564 HydrophobicContact CG-CE2 4.23Å; Q475-F564 HydrophobicContact CG-CG 4.22Å; Q475-F564 HydrophobicContact CG-CZ 3.86Å; A478-F564 HydrophobicContact CB-CE2 4.29Å; A478-F564 HydrophobicContact CB-CZ 4.46Å; Y558-F564 HydrophobicContact CD1-CE2 4.13Å; Y558-F564 HydrophobicContact CE1-CE2 4.16Å; Y558-F564 HydrophobicContact CE1-CZ 4.23Å; K560-F564 HydrophobicContact CB-CD1 4.3Å; K560-F564 HydrophobicContact CB-CE1 4.11Å; K560-F564 HydrophobicContact CB-CE2 4.47Å; K560-F564 HydrophobicContact CB-CZ 4.21Å; K560-F564 HydrophobicContact CG-CE1 4.32Å; K560-F564 PolarHBondContact N-O 2.59Å; K560-F564 PolarHBondContact O-N 2.8Å; F564-I566 HydrophobicContact CD2-CD1 4.15Å; F564-I566 HydrophobicContact CD2-CG1 4Å; F564-I566 HydrophobicContact CE2-CD1 3.78Å; F564-I566 HydrophobicContact CE2-CG1 4.12Å
565	G	96.9	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.6	167.2	0	0	0	0	0	112	A426 Y558	A426-G565 VanDerWaalsContact O-CA 3.29Å; A426-G565 WeakPolarHBondContact O-CA 3.28Å; Y558-G565 CarbonylContact O-C 3.53Å; Y558-G565 WeakPolarHBondContact O-CA 3.3Å
566	I	98.7	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130.7	-175.9	-54.3	173.8	0	0	0	106.7	M446 T465 A478 Y479 V482 G557 Y558 F564 L568	M446-I566 HydrophobicContact CE-CD1 3.88Å; M446-I566 HydrophobicContact CE-CG1 4.19Å; M446-I566 HydrophobicContact SD-CD1 4.2Å; M446-I566 HydrophobicContact SD-CG1 3.96Å; T465-I566 HydrophobicContact CG2-CG1 4.39Å; A478-I566 HydrophobicContact CB-CD1 3.81Å; Y479-I566 HydrophobicContact CD2-CD1 4.46Å; Y479-I566 HydrophobicContact CD2-CG2 3.77Å; Y479-I566 HydrophobicContact CE2-CG2 4.4Å; Y479-I566 VanDerWaalsContact N-CD1 3.34Å; V482-I566 HydrophobicContact CB-CG2 4.17Å; V482-I566 HydrophobicContact CG1-CG2 4.15Å; V482-I566 HydrophobicContact CG2-CB 4.44Å; V482-I566 HydrophobicContact CG2-CG2 4.11Å; G557-I566 CarbonylContact C-O 2.94Å; G557-I566 WeakPolarHBondContact CA-O 3.46Å; Y558-I566 PolarHBondContact N-O 3.39Å; Y558-I566 PolarHBondContact O-N 3.28Å; F564-I566 HydrophobicContact CD2-CD1 4.15Å; F564-I566 HydrophobicContact CD2-CG1 4Å; F564-I566 HydrophobicContact CE2-CD1 3.78Å; F564-I566 HydrophobicContact CE2-CG1 4.12Å; I566-L568 HydrophobicContact CG2-CG 4.34Å
567	R	98.8	Very high	96.3	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.8	162.1	172.9	173.1	60.4	-115.4	0.9	107.9	A429 L448 D450 T463 T465 E555 P556 Y559	A429-R567 PolarHBondContact O-NH1 3.12Å; A429-R567 VanDerWaalsContact O-NH1 3.13Å; L448-R567 HydrophobicContact CD1-CB 4.08Å; D450-R567 VanDerWaalsContact CG-NH2 3.31Å; D450-R567 IonicContact OD2-CZ 3.76Å; D450-R567 VanDerWaalsContact OD2-CZ 3.23Å; D450-R567 IonicContact OD2-NE 3.57Å; D450-R567 PolarHBondContact OD2-NE 2.9Å; D450-R567 IonicContact OD2-NH2 3.74Å; D450-R567 PolarHBondContact OD2-NH2 2.99Å; T463-R567 HydrophobicContact CG2-CB 3.74Å; T463-R567 HydrophobicContact CG2-CG 3.82Å; T463-R567 VanDerWaalsContact CG2-O 3.3Å; T463-R567 WeakPolarHBondContact CG2-O 3.4Å; T463-R567 PolarHBondContact OG1-NE 3.47Å; T465-R567 PolarHBondContact OG1-N 3.03Å; T465-R567 PolarHBondContact OG1-O 3.06Å; T465-R567 VanDerWaalsContact OG1-O 3.06Å; E555-R567 HydrophobicContact CB-CG 4.33Å; P556-R567 WeakPolarHBondContact O-CA 3.48Å; Y559-R567 PolarHBondContact OH-NH1 3.46Å
568	L	98.9	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.			trans	-130.2	106.4	179.5	-61.1	179.4	0	0	0	108.1	Y479 V482 L483 N486 E555 P556 I566 Y596	Y479-L568 HydrophobicContact CE1-CD1 4.1Å; Y479-L568 HydrophobicContact CE2-CD1 4.15Å; Y479-L568 HydrophobicContact CE2-CD2 3.64Å; Y479-L568 HydrophobicContact CE2-CG 4.34Å; V482-L568 HydrophobicContact CB-CD1 4.41Å; V482-L568 HydrophobicContact CG1-CB 4.09Å; V482-L568 HydrophobicContact CG1-CD1 3.98Å; V482-L568 HydrophobicContact CG1-CG 3.91Å; L483-L568 HydrophobicContact CB-CD1 3.67Å; L483-L568 HydrophobicContact CD1-CD1 4.1Å; L483-L568 HydrophobicContact CG-CD1 4.44Å; N486-L568 PolarHBondContact ND2-O 2.77Å; E555-L568 WeakPolarHBondContact CA-O 3.32Å; P556-L568 WeakPolarHBondContact CD-O 3.28Å; P556-L568 PolarHBondContact O-N 3.23Å; P556-L568 VanDerWaalsContact O-N 3.13Å; I566-L568 HydrophobicContact CG2-CG 4.34Å; L568-Y596 HydrophobicContact CB-CE1 4.27Å; L568-Y596 HydrophobicContact CD1-CD1 4.35Å; L568-Y596 HydrophobicContact CD2-CD1 4.11Å
569	E	98.9	Very high	96.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.214	C	C	.	.			trans	-121.5	134.6	-169.3	168.7	169.9	-135.5	0	0	112.4	T463 R464 H524 S553 I554 E555	T463-E569 PolarHBondContact N-OE2 3.12Å; T463-E569 PolarHBondContact O-N 2.88Å; T463-E569 PolarHBondContact OG1-OE2 2.89Å; R464-E569 PolarHBondContact NH1-O 2.78Å; H524-E569 IonicContact NE2-OE1 2.64Å; S553-E569 VanDerWaalsContact CB-OE1 3.24Å; S553-E569 WeakPolarHBondContact CB-OE1 3.41Å; I554-E569 VanDerWaalsContact O-CA 3.29Å; I554-E569 WeakPolarHBondContact O-CA 3.42Å; E555-E569 HydrophobicContact CB-CB 3.53Å; E555-E569 HydrophobicContact CB-CG 3.68Å
570	D	98.7	Very high	96.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142	171.5	-64.1	-72.2	0	0	0	110.5	R464 N486 S553 I554 V590 S592 Y596 Y617	R464-D570 IonicContact CZ-OD1 3.6Å; R464-D570 IonicContact NH1-OD1 3.45Å; R464-D570 PolarHBondContact NH1-OD1 3.36Å; R464-D570 IonicContact NH2-OD1 2.74Å; R464-D570 PolarHBondContact NH2-OD1 3.25Å; R464-D570 IonicContact NH2-OD2 3.6Å; N486-D570 PolarHBondContact ND2-OD2 3.42Å; N486-D570 VanDerWaalsContact ND2-OD2 3.14Å; S553-D570 CarbonylContact C-O 3.37Å; S553-D570 WeakPolarHBondContact CA-O 3.25Å; I554-D570 PolarHBondContact N-O 2.99Å; I554-D570 PolarHBondContact O-N 2.92Å; I554-D570 VanDerWaalsContact O-N 3.12Å; D570-V590 HydrophobicContact CB-CG1 3.83Å; D570-S592 VanDerWaalsContact OD1-CB 3.26Å; D570-S592 WeakPolarHBondContact OD1-CB 3.48Å; D570-Y596 PolarHBondContact OD2-OH 3.24Å; D570-Y617 PolarHBondContact OD1-OH 3.31Å
571	V	98.8	Very high	96.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.8	168.2	176.5	0	0	0	0	108.9	H369 D461 I526 F551 V591 S592	H369-V571 WeakPolarHBondContact NE2-CB 3.33Å; D461-V571 HydrophobicContact CB-CG2 4.12Å; D461-V571 WeakPolarHBondContact O-CG2 3.44Å; I526-V571 HydrophobicContact CB-CG1 4.4Å; I526-V571 HydrophobicContact CD1-CG2 4.04Å; I526-V571 HydrophobicContact CG1-CB 4.45Å; I526-V571 HydrophobicContact CG1-CG1 3.79Å; I526-V571 HydrophobicContact CG1-CG2 3.81Å; F551-V571 HydrophobicContact CB-CG1 4.47Å; F551-V571 HydrophobicContact CD1-CG1 3.85Å; V571-V591 HydrophobicContact CB-CG2 3.91Å; V571-V591 HydrophobicContact CG1-CG2 3.7Å; V571-V591 VanDerWaalsContact O-CG2 3.27Å; V571-V591 WeakPolarHBondContact O-CG2 3.25Å; V571-V591 PolarHBondContact O-N 2.94Å; V571-S592 PolarHBondContact N-OG 3.26Å; V571-S592 PolarHBondContact O-N 3.44Å
572	A	98.6	Very high	96.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.8	178.6	0	0	0	0	0	112.9	F551 T552 I554 F588 E589 V590	F551-A572 CarbonylContact C-O 3.6Å; F551-A572 WeakPolarHBondContact CA-O 3.46Å; T552-A572 PolarHBondContact N-O 2.85Å; T552-A572 PolarHBondContact O-N 3.36Å; I554-A572 HydrophobicContact CD1-CB 4.17Å; A572-F588 HydrophobicContact CB-CB 3.86Å; A572-F588 HydrophobicContact CB-CD1 4.31Å; A572-F588 HydrophobicContact CB-CG 4.46Å; A572-E589 CarbonylContact C-O 3.53Å; A572-E589 VanDerWaalsContact CA-O 3.31Å; A572-E589 WeakPolarHBondContact CA-O 3.27Å; A572-V590 HydrophobicContact CB-CG2 4.21Å
573	L	98.9	Very high	97.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.9	173.1	171.2	62.9	0	0	0	110	Q362 K366 M550 F551 V575 F588 E589	Q362-L573 HydrophobicContact CG-CD1 4.16Å; Q362-L573 HydrophobicContact CG-CD2 4.32Å; K366-L573 VanDerWaalsContact CE-CD2 3.48Å; M550-L573 WeakPolarHBondContact O-CD1 3.43Å; F551-L573 HydrophobicContact CD1-CB 4.32Å; F551-L573 HydrophobicContact CD2-CD1 3.86Å; F551-L573 HydrophobicContact CE1-CB 4.05Å; F551-L573 HydrophobicContact CE2-CB 4.47Å; F551-L573 HydrophobicContact CE2-CD1 3.67Å; F551-L573 HydrophobicContact CE2-CG 4.46Å; F551-L573 HydrophobicContact CG-CD1 4.5Å; F551-L573 HydrophobicContact CZ-CB 4.13Å; F551-L573 HydrophobicContact CZ-CD1 4.11Å; F551-L573 HydrophobicContact CZ-CD2 4.38Å; F551-L573 HydrophobicContact CZ-CG 4.43Å; L573-V575 HydrophobicContact CB-CG1 4.45Å; L573-V575 HydrophobicContact CD2-CG1 3.81Å; L573-V575 HydrophobicContact CG-CG1 3.71Å; L573-V575 PolarHBondContact O-N 2.99Å; L573-F588 CarbonylContact O-C 3.51Å; L573-F588 WeakPolarHBondContact O-CA 3.37Å; L573-E589 HydrophobicContact CB-CB 4.42Å; L573-E589 PolarHBondContact N-O 3.44Å; L573-E589 PolarHBondContact O-N 2.85Å
574	V	98.8	Very high	97.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	118.5	170.3	-176.5	0	0	0	0	109.5	F494 M546 A547 K548 G549 M550 L586 F588	F494-V574 HydrophobicContact CZ-CG1 4.34Å; M546-V574 HydrophobicContact SD-CG2 4.28Å; A547-V574 WeakPolarHBondContact O-CB 3.45Å; A547-V574 WeakPolarHBondContact O-CG1 3.47Å; K548-V574 WeakPolarHBondContact CA-O 3.17Å; G549-V574 PolarHBondContact N-O 3.26Å; M550-V574 HydrophobicContact CB-CB 4.44Å; M550-V574 HydrophobicContact CB-CG2 4.1Å; M550-V574 PolarHBondContact O-N 3.08Å; V574-L586 HydrophobicContact CG1-CB 4.01Å; V574-L586 HydrophobicContact CG1-CD1 3.81Å; V574-L586 HydrophobicContact CG1-CD2 4.35Å; V574-L586 HydrophobicContact CG1-CG 4.27Å; V574-F588 HydrophobicContact CG2-CD1 3.99Å; V574-F588 HydrophobicContact CG2-CE1 3.79Å
575	V	98.7	Very high	97.5	Very high	32 Å²	32	54.2 Å²	54.2	19%	0.194	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	165	-178.4	-60.7	0	0	0	0	111.3	L573 L586 T587 E589	L573-V575 HydrophobicContact CB-CG1 4.45Å; L573-V575 HydrophobicContact CD2-CG1 3.81Å; L573-V575 HydrophobicContact CG-CG1 3.71Å; L573-V575 PolarHBondContact O-N 2.99Å; V575-L586 CarbonylContact O-C 3.54Å; V575-L586 WeakPolarHBondContact O-CA 3.22Å; V575-T587 HydrophobicContact CG2-CG2 3.63Å; V575-T587 PolarHBondContact N-O 2.72Å; V575-T587 PolarHBondContact O-N 2.84Å; V575-E589 HydrophobicContact CG1-CB 4Å; V575-E589 HydrophobicContact CG2-CB 4.2Å
576	E	98.2	Very high	97.6	Very high	125 Å²	125	54.6 Å²	54.6	58%	0.584	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.3	171.9	-76.3	167.7	-158	0	0	111.1	K548 L586	K548-E576 HydrophobicContact CD-CG 4.02Å; K548-E576 WeakPolarHBondContact CD-OE1 3.15Å; K548-E576 WeakPolarHBondContact CE-OE1 3.09Å; K548-E576 IonicContact NZ-OE1 2.74Å; K548-E576 PolarHBondContact NZ-OE1 3.33Å; K548-E576 IonicContact NZ-OE2 3.84Å; E576-L586 HydrophobicContact CG-CD2 4.44Å
577	A	98.1	Very high	97.6	Very high	13 Å²	13	55.8 Å²	55.8	11%	0.107	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-96.7	137.4	174	0	0	0	0	0	110.9	I493 Y585 T587	I493-A577 HydrophobicContact CB-CB 4.42Å; I493-A577 HydrophobicContact CD1-CB 4.4Å; I493-A577 HydrophobicContact CG1-CB 4.08Å; I493-A577 HydrophobicContact CG2-CB 3.68Å; A577-Y585 PolarHBondContact N-O 2.76Å; A577-T587 HydrophobicContact CB-CG2 3.87Å
578	K	95.7	Very high	97.6	Very high	208 Å²	208	56.2 Å²	56.2	90%	0.904	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-85.7	118.9	168.6	-68	-176.2	-179.5	178.6	0	109.4
579	T	96.9	Very high	97.6	Very high	53 Å²	53	60 Å²	60	33%	0.325	31%	0.31	S	S	.	.			trans	-111.9	160.5	178.7	50.4	0	0	0	0	111.4	I493 Y581 Y585	I493-T579 HydrophobicContact CG2-CG2 3.78Å; T579-Y581 VanDerWaalsContact C-N 3.26Å; T579-Y581 PolarHBondContact O-N 3.38Å; T579-Y581 PolarHBondContact OG1-O 3.32Å; T579-Y585 HydrophobicContact CG2-CD1 4.27Å; T579-Y585 HydrophobicContact CG2-CD2 3.88Å; T579-Y585 HydrophobicContact CG2-CG 3.74Å
580	K	96.6	Very high	97.6	Very high	177 Å²	177	60.8 Å²	60.8	77%	0.77	32%	0.316	S	S	*	.	S	Bend	trans	-62	-33.8	178.7	179.4	176.4	176.8	179.8	0	112.8
581	Y	96.6	Very high	97.5	Very high	163 Å²	163	60.9 Å²	60.9	64%	0.639	32%	0.316	S	S	*	.	S	Bend	trans	-117.6	149.3	-179.2	-57.4	-67.8	0	0	0	110.2	T579 G583	T579-Y581 VanDerWaalsContact C-N 3.26Å; T579-Y581 PolarHBondContact O-N 3.38Å; T579-Y581 PolarHBondContact OG1-O 3.32Å; Y581-G583 PolarHBondContact O-N 3.19Å
582	P	92.7	Very high	97.5	Very high	137 Å²	137	61 Å²	61	89%	0.89	32%	0.317	S	S	*	.	S	Bend	trans	-55.9	138.1	179.9	-24.6	34.1	0	0	0	112.8
583	G	93.1	Very high	97.5	Very high	52 Å²	52	61.6 Å²	61.6	54%	0.536	32%	0.319	S	S	.	.	S	Bend	trans	170.7	165.7	175.6	0	0	0	0	0	111.6	Y581	Y581-G583 PolarHBondContact O-N 3.19Å
584	S	96.8	Very high	97.5	Very high	84 Å²	84	61.5 Å²	61.5	59%	0.587	32%	0.319	S	S	*	.			trans	-92.7	102.8	172.7	-169.2	0	0	0	0	109	A496	A496-S584 VanDerWaalsContact CB-OG 3.29Å; A496-S584 WeakPolarHBondContact CB-OG 3.28Å; A496-S584 PolarHBondContact N-O 2.9Å
585	Y	98.4	Very high	97.5	Very high	86 Å²	86	61.8 Å²	61.8	34%	0.337	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.4	179.1	-74.6	-97.1	0	0	0	109.9	I493 F494 P495 A577 T579	I493-Y585 HydrophobicContact CG2-CD1 3.86Å; I493-Y585 HydrophobicContact CG2-CG 4.21Å; F494-Y585 VanDerWaalsContact C-CD1 3.47Å; F494-Y585 CarbonylContact O-C 3.58Å; F494-Y585 VanDerWaalsContact O-CA 3.29Å; F494-Y585 WeakPolarHBondContact O-CA 3.1Å; F494-Y585 WeakPolarHBondContact O-CD1 3.43Å; P495-Y585 HydrophobicContact CB-CE1 4.43Å; P495-Y585 HydrophobicContact CG-CD1 4.42Å; P495-Y585 HydrophobicContact CG-CE1 3.89Å; A577-Y585 PolarHBondContact N-O 2.76Å; T579-Y585 HydrophobicContact CG2-CD1 4.27Å; T579-Y585 HydrophobicContact CG2-CD2 3.88Å; T579-Y585 HydrophobicContact CG2-CG 3.74Å
586	L	98.7	Very high	97.5	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159.5	178.4	-58.5	175.5	0	0	0	109.8	I493 F494 A496 M546 K548 V574 V575 E576	I493-L586 WeakPolarHBondContact CA-O 3.4Å; F494-L586 HydrophobicContact CD2-CB 4.1Å; F494-L586 HydrophobicContact CE1-CB 4.27Å; F494-L586 HydrophobicContact CE2-CB 3.56Å; F494-L586 HydrophobicContact CE2-CD1 4.01Å; F494-L586 HydrophobicContact CE2-CG 4.35Å; F494-L586 HydrophobicContact CZ-CB 3.66Å; F494-L586 PolarHBondContact N-O 3.46Å; F494-L586 PolarHBondContact O-N 3.41Å; A496-L586 HydrophobicContact CB-CD1 4.2Å; A496-L586 HydrophobicContact CB-CG 4.22Å; M546-L586 WeakPolarHBondContact O-CD1 3.41Å; K548-L586 HydrophobicContact CB-CD2 4.14Å; V574-L586 HydrophobicContact CG1-CB 4.01Å; V574-L586 HydrophobicContact CG1-CD1 3.81Å; V574-L586 HydrophobicContact CG1-CD2 4.35Å; V574-L586 HydrophobicContact CG1-CG 4.27Å; V575-L586 CarbonylContact O-C 3.54Å; V575-L586 WeakPolarHBondContact O-CA 3.22Å; E576-L586 HydrophobicContact CG-CD2 4.44Å
587	T	98.7	Very high	97.5	Very high	26 Å²	26	55.6 Å²	55.6	16%	0.16	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	175.2	172.2	-172.7	0	0	0	0	108.4	L492 V575 A577	L492-T587 WeakPolarHBondContact O-CA 3.43Å; L492-T587 PolarHBondContact O-OG1 3.01Å; V575-T587 HydrophobicContact CG2-CG2 3.63Å; V575-T587 PolarHBondContact N-O 2.72Å; V575-T587 PolarHBondContact O-N 2.84Å; A577-T587 HydrophobicContact CB-CG2 3.87Å
588	F	98.6	Very high	97.4	Very high	15 Å²	15	58 Å²	58	7%	0.066	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.4	175.4	-55.7	-79.9	0	0	0	112.2	L489 F494 F539 T552 I554 A572 L573 V574	L489-F588 HydrophobicContact CD1-CE2 4.16Å; L489-F588 HydrophobicContact CG-CE2 4.34Å; L489-F588 VanDerWaalsContact O-CD2 3.25Å; L489-F588 WeakPolarHBondContact O-CD2 3.37Å; L489-F588 WeakPolarHBondContact O-CE2 3.29Å; F494-F588 HydrophobicContact CD1-CE2 4.28Å; F494-F588 HydrophobicContact CE1-CD2 4.04Å; F494-F588 HydrophobicContact CE1-CE1 4.4Å; F494-F588 AromaticContact CE1-CE2 3.45Å; F494-F588 HydrophobicContact CE1-CE2 3.45Å; F494-F588 VanDerWaalsContact CE1-CE2 3.45Å; F494-F588 AromaticContact CE1-CZ 3.66Å; F494-F588 HydrophobicContact CE1-CZ 3.66Å; F494-F588 HydrophobicContact CZ-CE1 4.33Å; F494-F588 HydrophobicContact CZ-CE2 4.14Å; F494-F588 AromaticContact CZ-CZ 3.85Å; F494-F588 HydrophobicContact CZ-CZ 3.85Å; F539-F588 HydrophobicContact CZ-CZ 4.49Å; T552-F588 HydrophobicContact CG2-CD1 4.22Å; T552-F588 HydrophobicContact CG2-CE1 3.85Å; I554-F588 HydrophobicContact CD1-CB 4.45Å; I554-F588 HydrophobicContact CD1-CD1 4.41Å; I554-F588 HydrophobicContact CD1-CD2 4.27Å; I554-F588 HydrophobicContact CD1-CG 4.13Å; A572-F588 HydrophobicContact CB-CB 3.86Å; A572-F588 HydrophobicContact CB-CD1 4.31Å; A572-F588 HydrophobicContact CB-CG 4.46Å; L573-F588 CarbonylContact O-C 3.51Å; L573-F588 WeakPolarHBondContact O-CA 3.37Å; V574-F588 HydrophobicContact CG2-CD1 3.99Å; V574-F588 HydrophobicContact CG2-CE1 3.79Å
589	E	98.6	Very high	97.4	Very high	79 Å²	79	50.7 Å²	50.7	37%	0.369	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	105.3	166.8	-179.7	-167.8	165.4	0	0	107.9	K366 A572 L573 V575	K366-E589 IonicContact NZ-OE1 3.76Å; K366-E589 PolarHBondContact NZ-OE1 2.68Å; K366-E589 IonicContact NZ-OE2 3.58Å; K366-E589 PolarHBondContact NZ-OE2 3.26Å; A572-E589 CarbonylContact C-O 3.53Å; A572-E589 VanDerWaalsContact CA-O 3.31Å; A572-E589 WeakPolarHBondContact CA-O 3.27Å; L573-E589 HydrophobicContact CB-CB 4.42Å; L573-E589 PolarHBondContact N-O 3.44Å; L573-E589 PolarHBondContact O-N 2.85Å; V575-E589 HydrophobicContact CG1-CB 4Å; V575-E589 HydrophobicContact CG2-CB 4.2Å
590	V	98.6	Very high	97.5	Very high	19 Å²	19	48.2 Å²	48.2	12%	0.115	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.6	178.9	173.7	0	0	0	0	111	D570 A572 Y613 Y617	D570-V590 HydrophobicContact CB-CG1 3.83Å; A572-V590 HydrophobicContact CB-CG2 4.21Å; V590-Y613 WeakPolarHBondContact CG2-OH 3.29Å; V590-Y617 HydrophobicContact CG1-CD2 4.49Å; V590-Y617 HydrophobicContact CG1-CE2 3.89Å
591	V	98.4	Very high	97.6	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.217	C	C	.	.			trans	-117.4	-10.9	179.9	-59.4	0	0	0	0	113.7	K366 H369 F551 V571 F593	K366-V591 HydrophobicContact CD-CG1 4.46Å; K366-V591 HydrophobicContact CG-CG1 3.76Å; H369-V591 HydrophobicContact CB-CB 4.4Å; H369-V591 HydrophobicContact CB-CG2 4.43Å; H369-V591 WeakPolarHBondContact CB-O 3.39Å; F551-V591 HydrophobicContact CD1-CG2 4.33Å; F551-V591 HydrophobicContact CE1-CG1 4.28Å; F551-V591 HydrophobicContact CE1-CG2 4.06Å; V571-V591 HydrophobicContact CB-CG2 3.91Å; V571-V591 HydrophobicContact CG1-CG2 3.7Å; V571-V591 VanDerWaalsContact O-CG2 3.27Å; V571-V591 WeakPolarHBondContact O-CG2 3.25Å; V571-V591 PolarHBondContact O-N 2.94Å; V591-F593 HydrophobicContact CB-CZ 4.47Å; V591-F593 WeakPolarHBondContact O-CD2 3.22Å; V591-F593 WeakPolarHBondContact O-CE2 3.24Å; V591-F593 WeakPolarHBondContact O-CZ 3.48Å
592	S	98.1	Very high	97.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.021	20%	0.199	C	C	.	.			trans	-77.9	123.1	170.5	-64.4	0	0	0	0	110.8	D570 V571 Y617	D570-S592 VanDerWaalsContact OD1-CB 3.26Å; D570-S592 WeakPolarHBondContact OD1-CB 3.48Å; V571-S592 PolarHBondContact N-OG 3.26Å; V571-S592 PolarHBondContact O-N 3.44Å; S592-Y617 VanDerWaalsContact O-CE2 3.29Å; S592-Y617 WeakPolarHBondContact O-CE2 3.39Å; S592-Y617 PolarHBondContact O-OH 3.04Å
593	F	98.4	Very high	97.9	Very high	12 Å²	12	29.7 Å²	29.7	5%	0.053	17%	0.167	C	C	.	.			trans	-119.9	51.5	-167.6	-58.1	-53.1	0	0	0	114.1	V370 A373 V591 T620 I621 K624 V625	V370-F593 HydrophobicContact CG2-CD2 3.88Å; V370-F593 HydrophobicContact CG2-CE2 3.81Å; A373-F593 HydrophobicContact CB-CB 4.11Å; V591-F593 HydrophobicContact CB-CZ 4.47Å; V591-F593 WeakPolarHBondContact O-CD2 3.22Å; V591-F593 WeakPolarHBondContact O-CE2 3.24Å; V591-F593 WeakPolarHBondContact O-CZ 3.48Å; F593-T620 HydrophobicContact CD1-CG2 4.39Å; F593-T620 HydrophobicContact CE1-CG2 3.9Å; F593-I621 HydrophobicContact CB-CG1 4.04Å; F593-I621 HydrophobicContact CD1-CG1 4.49Å; F593-K624 HydrophobicContact CD2-CB 4.18Å; F593-K624 HydrophobicContact CE1-CG 4.43Å; F593-K624 HydrophobicContact CE2-CB 4.19Å; F593-K624 HydrophobicContact CE2-CG 4.25Å; F593-K624 HydrophobicContact CG-CB 4.48Å; F593-K624 HydrophobicContact CZ-CG 4.13Å; F593-V625 HydrophobicContact CB-CG2 3.49Å; F593-V625 VanDerWaalsContact CB-CG2 3.49Å; F593-V625 HydrophobicContact CD2-CG2 4.37Å; F593-V625 HydrophobicContact CG-CG2 4.26Å
594	V	98.7	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.			trans	-120.2	129.5	176.6	-178.7	0	0	0	0	109.5	A373 V376 L380 I462 R464 Y617	A373-V594 HydrophobicContact CB-CG2 4.08Å; V376-V594 HydrophobicContact CB-CG2 3.97Å; V376-V594 HydrophobicContact CG1-CG1 3.94Å; V376-V594 HydrophobicContact CG1-CG2 3.89Å; L380-V594 HydrophobicContact CD1-CG1 3.68Å; I462-V594 HydrophobicContact CD1-CB 3.73Å; I462-V594 HydrophobicContact CD1-CG2 3.55Å; R464-V594 HydrophobicContact CG-CG1 4.01Å; R464-V594 VanDerWaalsContact CZ-O 3.28Å; R464-V594 PolarHBondContact NE-O 3.08Å; R464-V594 PolarHBondContact NH2-O 2.89Å; V594-Y617 PolarHBondContact N-OH 3.03Å; V594-Y617 PolarHBondContact O-OH 3Å
595	P	98.4	Very high	98.1	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.039	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-63.4	146.2	-177.3	26.6	-34.3	0	0	0	112.2	Y618 I621 W640 H644 T645	P595-Y618 HydrophobicContact CB-CD1 4.4Å; P595-Y618 HydrophobicContact CB-CE1 4.01Å; P595-I621 HydrophobicContact CB-CD1 4.41Å; P595-W640 HydrophobicContact CG-CH2 3.73Å; P595-W640 HydrophobicContact CG-CZ3 3.71Å; P595-H644 HydrophobicContact CB-CB 4.31Å; P595-H644 HydrophobicContact CG-CB 3.94Å; P595-T645 HydrophobicContact CB-CG2 4.11Å; P595-T645 HydrophobicContact CG-CG2 4.41Å
596	Y	98.8	Very high	98	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-71.6	153.9	165.5	-52.7	-69.3	0	0	0	110.9	Y479 L483 N486 L568 D570 R598 L614 Y617 Y618	Y479-Y596 WeakPolarHBondContact OH-CB 3.12Å; L483-Y596 HydrophobicContact CD1-CD1 4.04Å; L483-Y596 HydrophobicContact CD1-CD2 3.59Å; L483-Y596 HydrophobicContact CD1-CE1 4.02Å; L483-Y596 HydrophobicContact CD1-CE2 3.55Å; L483-Y596 HydrophobicContact CD1-CG 3.82Å; N486-Y596 PolarHBondContact OD1-OH 3.47Å; N486-Y596 VanDerWaalsContact OD1-OH 3.1Å; L568-Y596 HydrophobicContact CB-CE1 4.27Å; L568-Y596 HydrophobicContact CD1-CD1 4.35Å; L568-Y596 HydrophobicContact CD2-CD1 4.11Å; D570-Y596 PolarHBondContact OD2-OH 3.24Å; Y596-R598 PolarHBondContact O-N 3.23Å; Y596-L614 HydrophobicContact CD2-CD1 3.59Å; Y596-L614 HydrophobicContact CE2-CD1 3.95Å; Y596-Y617 HydrophobicContact CD2-CD1 4.28Å; Y596-Y617 HydrophobicContact CD2-CE1 4.06Å; Y596-Y617 AromaticContact CE2-CD1 3.86Å; Y596-Y617 HydrophobicContact CE2-CD1 3.86Å; Y596-Y617 AromaticContact CE2-CE1 3.66Å; Y596-Y617 HydrophobicContact CE2-CE1 3.66Å; Y596-Y618 HydrophobicContact CD2-CE1 4.36Å; Y596-Y618 PolarHBondContact O-OH 3.32Å
597	D	98.1	Very high	98	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.134	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-71	116	-178.7	-168.7	-42.3	0	0	0	111.3	V466 H467 Y479 N599 L600 I601	V466-D597 WeakPolarHBondContact CA-OD2 3.44Å; V466-D597 HydrophobicContact CB-CB 4.39Å; V466-D597 WeakPolarHBondContact CB-OD2 3.39Å; V466-D597 HydrophobicContact CG1-CB 4.19Å; H467-D597 PolarHBondContact N-OD2 3.42Å; Y479-D597 PolarHBondContact OH-N 3.29Å; D597-N599 VanDerWaalsContact C-N 3.3Å; D597-N599 PolarHBondContact O-N 3.39Å; D597-N599 WeakPolarHBondContact OD1-CA 3.33Å; D597-N599 WeakPolarHBondContact OD1-CB 3.32Å; D597-N599 PolarHBondContact OD1-N 3.24Å; D597-L600 HydrophobicContact CB-CB 4.45Å; D597-L600 HydrophobicContact CB-CD1 4.12Å; D597-L600 HydrophobicContact CB-CG 4.41Å; D597-L600 PolarHBondContact O-N 3.26Å; D597-I601 WeakPolarHBondContact O-CG1 3.23Å
598	R	95.8	Very high	97.9	Very high	62 Å²	62	32 Å²	32	23%	0.234	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.6	-177.5	-57.7	171.2	71.9	83.7	-10.1	113.1	Y596 L600 I601 E646	Y596-R598 PolarHBondContact O-N 3.23Å; R598-L600 VanDerWaalsContact C-N 3.26Å; R598-L600 PolarHBondContact O-N 3.43Å; R598-I601 PolarHBondContact O-N 3.1Å; R598-E646 VanDerWaalsContact CZ-O 3.25Å; R598-E646 PolarHBondContact NH1-O 3.45Å; R598-E646 PolarHBondContact NH2-O 3.2Å
599	N	96.4	Very high	97.9	Very high	56 Å²	56	36.4 Å²	36.4	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.6	-179.6	-167.5	18.3	0	0	0	111.1	H467 G469 P471 K476 D597	H467-N599 PolarHBondContact O-ND2 2.67Å; G469-N599 PolarHBondContact O-ND2 3.19Å; P471-N599 WeakPolarHBondContact CD-ND2 3.29Å; K476-N599 WeakPolarHBondContact CE-O 3.35Å; K476-N599 PolarHBondContact NZ-O 3.03Å; D597-N599 VanDerWaalsContact C-N 3.3Å; D597-N599 PolarHBondContact O-N 3.39Å; D597-N599 WeakPolarHBondContact OD1-CA 3.33Å; D597-N599 WeakPolarHBondContact OD1-CB 3.32Å; D597-N599 PolarHBondContact OD1-N 3.24Å
600	L	98.4	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-13.4	-178.7	-69.4	174.6	0	0	0	114.3	M446 T465 H467 P471 K476 Y479 T480 D597 R598	M446-L600 HydrophobicContact CE-CD1 4.09Å; M446-L600 HydrophobicContact CE-CD2 3.36Å; M446-L600 HydrophobicContact CE-CG 4.36Å; T465-L600 HydrophobicContact CG2-CD1 4.44Å; H467-L600 HydrophobicContact CB-CD1 4.06Å; H467-L600 HydrophobicContact CB-CD2 3.78Å; H467-L600 HydrophobicContact CB-CG 3.93Å; P471-L600 HydrophobicContact CB-CD2 3.54Å; P471-L600 HydrophobicContact CG-CD2 3.92Å; K476-L600 WeakPolarHBondContact CA-O 3.3Å; Y479-L600 HydrophobicContact CD1-CB 3.57Å; Y479-L600 HydrophobicContact CD2-CB 3.71Å; Y479-L600 HydrophobicContact CD2-CD1 3.54Å; Y479-L600 HydrophobicContact CD2-CG 4.19Å; Y479-L600 HydrophobicContact CE1-CB 3.85Å; Y479-L600 HydrophobicContact CE2-CB 3.93Å; Y479-L600 HydrophobicContact CE2-CD1 3.53Å; Y479-L600 HydrophobicContact CE2-CG 4.37Å; Y479-L600 HydrophobicContact CG-CB 3.5Å; Y479-L600 HydrophobicContact CG-CD1 4.23Å; Y479-L600 HydrophobicContact CG-CG 4.4Å; T480-L600 PolarHBondContact OG1-O 3.11Å; D597-L600 HydrophobicContact CB-CB 4.45Å; D597-L600 HydrophobicContact CB-CD1 4.12Å; D597-L600 HydrophobicContact CB-CG 4.41Å; D597-L600 PolarHBondContact O-N 3.26Å; R598-L600 VanDerWaalsContact C-N 3.26Å; R598-L600 PolarHBondContact O-N 3.43Å
601	I	98.6	Very high	97.8	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	19%	0.186	C	C	.	.			trans	-82.3	122.9	-178.9	-61.7	169.3	0	0	0	110.7	K476 Y479 L483 D597 R598 V603 L606 L614 L648	K476-I601 WeakPolarHBondContact CE-O 3.28Å; K476-I601 PolarHBondContact NZ-O 2.94Å; Y479-I601 HydrophobicContact CD1-CG1 4.16Å; Y479-I601 HydrophobicContact CE1-CG1 3.76Å; L483-I601 HydrophobicContact CD2-CD1 3.71Å; L483-I601 HydrophobicContact CD2-CG1 3.78Å; D597-I601 WeakPolarHBondContact O-CG1 3.23Å; R598-I601 PolarHBondContact O-N 3.1Å; I601-V603 HydrophobicContact CG2-CG2 4.16Å; I601-L606 HydrophobicContact CG2-CD1 3.75Å; I601-L606 HydrophobicContact CG2-CG 4.45Å; I601-L614 HydrophobicContact CD1-CD2 4.04Å; I601-L648 HydrophobicContact CD1-CD1 4.15Å; I601-L648 HydrophobicContact CG2-CD1 4.48Å
602	D	98.1	Very high	97.7	Very high	51 Å²	51	39.4 Å²	39.4	27%	0.273	21%	0.214	S	C	.	.			trans	-91.3	96.3	163.8	-171.8	-12.3	0	0	0	109.9	K476 T480 S604 L605	K476-D602 HydrophobicContact CB-CB 4.41Å; T480-D602 PolarHBondContact OG1-N 3.48Å; D602-S604 VanDerWaalsContact CG-OG 3.27Å; D602-S604 PolarHBondContact O-N 2.88Å; D602-S604 WeakPolarHBondContact OD1-CB 3.3Å; D602-S604 PolarHBondContact OD1-N 3.41Å; D602-S604 PolarHBondContact OD1-OG 3.2Å; D602-S604 PolarHBondContact OD2-OG 3.37Å; D602-L605 HydrophobicContact CB-CD1 4.2Å; D602-L605 HydrophobicContact CB-CG 4.32Å; D602-L605 PolarHBondContact O-N 2.97Å
603	V	97.2	Very high	97.7	Very high	33 Å²	33	41.6 Å²	41.6	20%	0.2	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.3	-22.6	-179	174.8	0	0	0	0	112.7	I601 L605 L606 L611	I601-V603 HydrophobicContact CG2-CG2 4.16Å; V603-L605 PolarHBondContact O-N 3.45Å; V603-L606 PolarHBondContact O-N 3.04Å; V603-L611 HydrophobicContact CG1-CD1 4.24Å; V603-L611 HydrophobicContact CG1-CD2 4.06Å
604	S	96.4	Very high	97.7	Very high	99 Å²	99	41 Å²	41	69%	0.692	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-69.7	-20.4	179	74.4	0	0	0	0	113.7	D602	D602-S604 VanDerWaalsContact CG-OG 3.27Å; D602-S604 PolarHBondContact O-N 2.88Å; D602-S604 WeakPolarHBondContact OD1-CB 3.3Å; D602-S604 PolarHBondContact OD1-N 3.41Å; D602-S604 PolarHBondContact OD1-OG 3.2Å; D602-S604 PolarHBondContact OD2-OG 3.37Å
605	L	97.8	Very high	97.7	Very high	60 Å²	60	42.8 Å²	42.8	31%	0.314	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-86.9	-12.5	175.3	-61.3	178	0	0	0	112.8	E477 T480 I484 D602 V603	E477-L605 HydrophobicContact CB-CD1 4.41Å; E477-L605 HydrophobicContact CG-CD1 4.1Å; T480-L605 HydrophobicContact CG2-CB 3.83Å; T480-L605 HydrophobicContact CG2-CD1 4.2Å; I484-L605 HydrophobicContact CD1-CB 4.39Å; D602-L605 HydrophobicContact CB-CD1 4.2Å; D602-L605 HydrophobicContact CB-CG 4.32Å; D602-L605 PolarHBondContact O-N 2.97Å; V603-L605 PolarHBondContact O-N 3.45Å
606	L	98	Very high	97.7	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.084	26%	0.257	C	S	.	.			trans	-85.2	136.9	-177.6	-60.2	-173.5	0	0	0	111	T480 I484 I601 V603 H610 L611 L614	T480-L606 HydrophobicContact CG2-CD2 3.62Å; T480-L606 HydrophobicContact CG2-CG 4.19Å; I484-L606 HydrophobicContact CD1-CD2 4.18Å; I484-L606 HydrophobicContact CG1-CD2 3.77Å; I601-L606 HydrophobicContact CG2-CD1 3.75Å; I601-L606 HydrophobicContact CG2-CG 4.45Å; V603-L606 PolarHBondContact O-N 3.04Å; L606-H610 HydrophobicContact CB-CB 3.88Å; L606-H610 HydrophobicContact CD2-CB 4.01Å; L606-H610 HydrophobicContact CG-CB 4.41Å; L606-L611 HydrophobicContact CB-CD2 4.32Å; L606-L611 HydrophobicContact CB-CG 4.02Å; L606-L611 HydrophobicContact CD1-CD2 3.79Å; L606-L611 HydrophobicContact CD1-CG 4.33Å; L606-L614 HydrophobicContact CD1-CD2 4.3Å
607	S	97.5	Very high	97.7	Very high	32 Å²	32	50.8 Å²	50.8	22%	0.224	26%	0.259	C	S	.	.			trans	-78.7	166	170.9	84.8	0	0	0	0	110	E609 H610 L611	S607-E609 VanDerWaalsContact CB-OE2 3.29Å; S607-E609 WeakPolarHBondContact CB-OE2 3.29Å; S607-E609 PolarHBondContact O-N 2.82Å; S607-E609 PolarHBondContact OG-N 3.31Å; S607-E609 PolarHBondContact OG-OE2 3.33Å; S607-H610 PolarHBondContact N-ND1 3.4Å; S607-H610 VanDerWaalsContact N-ND1 3.19Å; S607-H610 WeakPolarHBondContact O-CB 3.29Å; S607-H610 PolarHBondContact O-N 2.96Å; S607-H610 VanDerWaalsContact O-N 3.12Å; S607-H610 PolarHBondContact OG-N 3.21Å; S607-H610 PolarHBondContact OG-ND1 3.48Å; S607-L611 PolarHBondContact O-N 3.4Å
608	P	97.3	Very high	97.7	Very high	96 Å²	96	49.6 Å²	49.6	62%	0.623	25%	0.252	S	S	*	.	H	α-helix	trans	-53.8	-37.1	171.5	-26.7	36.4	0	0	0	113.2	L611 Q612	P608-L611 PolarHBondContact O-N 3.22Å; P608-Q612 WeakPolarHBondContact O-CB 3.46Å; P608-Q612 PolarHBondContact O-N 3.45Å
609	E	97.3	Very high	97.9	Very high	108 Å²	108	51 Å²	51	51%	0.505	26%	0.261	S	S	.	.	H	α-helix	trans	-69	-41.5	177.3	-57.9	72.9	-158.3	0	0	111.6	R491 S607 Q612 Y613	R491-E609 PolarHBondContact NH2-O 2.93Å; S607-E609 VanDerWaalsContact CB-OE2 3.29Å; S607-E609 WeakPolarHBondContact CB-OE2 3.29Å; S607-E609 PolarHBondContact O-N 2.82Å; S607-E609 PolarHBondContact OG-N 3.31Å; S607-E609 PolarHBondContact OG-OE2 3.33Å; E609-Q612 PolarHBondContact O-N 3.09Å; E609-Y613 WeakPolarHBondContact O-CB 3.38Å; E609-Y613 PolarHBondContact O-N 3.1Å
610	H	98.2	Very high	98	Very high	17 Å²	17	50.2 Å²	50.2	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-55.1	-50.6	170.8	-67.4	129.6	0	0	0	111.7	D488 R491 L606 S607 Q612 Y613 L614	D488-H610 IonicContact OD1-CE1 3.58Å; D488-H610 IonicContact OD1-NE2 2.81Å; D488-H610 PolarHBondContact OD1-NE2 3.01Å; D488-H610 IonicContact OD2-NE2 3.51Å; R491-H610 PolarHBondContact NH1-CD2 3Å; R491-H610 PolarHBondContact NH1-NE2 3.3Å; R491-H610 PolarHBondContact NH2-CD2 2.9Å; L606-H610 HydrophobicContact CB-CB 3.88Å; L606-H610 HydrophobicContact CD2-CB 4.01Å; L606-H610 HydrophobicContact CG-CB 4.41Å; S607-H610 PolarHBondContact N-ND1 3.4Å; S607-H610 VanDerWaalsContact N-ND1 3.19Å; S607-H610 WeakPolarHBondContact O-CB 3.29Å; S607-H610 PolarHBondContact O-N 2.96Å; S607-H610 VanDerWaalsContact O-N 3.12Å; S607-H610 PolarHBondContact OG-N 3.21Å; S607-H610 PolarHBondContact OG-ND1 3.48Å; H610-Q612 PolarHBondContact O-N 2.62Å; H610-Y613 PolarHBondContact O-N 3.34Å; H610-L614 VanDerWaalsContact O-CB 3.31Å; H610-L614 WeakPolarHBondContact O-CB 3.19Å; H610-L614 PolarHBondContact O-N 2.63Å
611	L	97.4	Very high	98	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.084	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-42.8	178.9	-74.6	171.2	0	0	0	112.5	V603 L606 S607 P608 L614 N615 L648 A650	V603-L611 HydrophobicContact CG1-CD1 4.24Å; V603-L611 HydrophobicContact CG1-CD2 4.06Å; L606-L611 HydrophobicContact CB-CD2 4.32Å; L606-L611 HydrophobicContact CB-CG 4.02Å; L606-L611 HydrophobicContact CD1-CD2 3.79Å; L606-L611 HydrophobicContact CD1-CG 4.33Å; S607-L611 PolarHBondContact O-N 3.4Å; P608-L611 PolarHBondContact O-N 3.22Å; L611-L614 PolarHBondContact O-N 3.38Å; L611-N615 VanDerWaalsContact O-CB 3.31Å; L611-N615 WeakPolarHBondContact O-CB 3.43Å; L611-N615 VanDerWaalsContact O-CG 3.23Å; L611-N615 PolarHBondContact O-N 2.81Å; L611-N615 PolarHBondContact O-ND2 2.88Å; L611-L648 HydrophobicContact CD2-CB 3.92Å; L611-A650 HydrophobicContact CD1-CB 3.99Å
612	Q	97.8	Very high	98	Very high	128 Å²	128	53.4 Å²	53.4	60%	0.598	27%	0.27	S	S	*	.	H	α-helix	trans	-62.6	-45	178.2	-174	-178.5	34.7	0	0	111.7	P608 E609 H610 R616	P608-Q612 WeakPolarHBondContact O-CB 3.46Å; P608-Q612 PolarHBondContact O-N 3.45Å; E609-Q612 PolarHBondContact O-N 3.09Å; H610-Q612 PolarHBondContact O-N 2.62Å; Q612-R616 WeakPolarHBondContact O-CB 3.24Å; Q612-R616 PolarHBondContact O-N 3.33Å
613	Y	98.1	Very high	98	Very high	49 Å²	49	56 Å²	56	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-50.8	176.8	177.3	-89.1	0	0	0	111	I487 S490 R491 V590 E609 H610 N615 R616 Y617	I487-Y613 HydrophobicContact CB-CD1 4.11Å; I487-Y613 HydrophobicContact CB-CE1 4.27Å; I487-Y613 HydrophobicContact CD1-CD1 4.19Å; I487-Y613 HydrophobicContact CG1-CD1 3.74Å; I487-Y613 HydrophobicContact CG1-CE1 3.85Å; I487-Y613 HydrophobicContact CG2-CD1 3.43Å; I487-Y613 VanDerWaalsContact CG2-CD1 3.43Å; I487-Y613 HydrophobicContact CG2-CE1 3.97Å; I487-Y613 HydrophobicContact CG2-CG 3.76Å; S490-Y613 VanDerWaalsContact CB-OH 3.22Å; S490-Y613 WeakPolarHBondContact CB-OH 3.18Å; R491-Y613 HydrophobicContact CB-CD2 4.33Å; R491-Y613 HydrophobicContact CB-CE2 4.42Å; V590-Y613 WeakPolarHBondContact CG2-OH 3.29Å; E609-Y613 WeakPolarHBondContact O-CB 3.38Å; E609-Y613 PolarHBondContact O-N 3.1Å; H610-Y613 PolarHBondContact O-N 3.34Å; Y613-N615 VanDerWaalsContact C-N 3.34Å; Y613-N615 PolarHBondContact O-N 3.15Å; Y613-R616 CarbonylContact O-C 3.51Å; Y613-R616 WeakPolarHBondContact O-CB 3.39Å; Y613-R616 PolarHBondContact O-N 3.19Å; Y613-R616 VanDerWaalsContact O-N 3.11Å; Y613-Y617 PolarHBondContact O-N 2.71Å
614	L	98.1	Very high	98	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-42.2	-177.6	-176.5	54.5	0	0	0	112.2	L483 I487 Y596 I601 L606 H610 L611 R616 Y617 Y618 L648	L483-L614 HydrophobicContact CD2-CD2 4.27Å; I487-L614 HydrophobicContact CD1-CB 4.47Å; Y596-L614 HydrophobicContact CD2-CD1 3.59Å; Y596-L614 HydrophobicContact CE2-CD1 3.95Å; I601-L614 HydrophobicContact CD1-CD2 4.04Å; L606-L614 HydrophobicContact CD1-CD2 4.3Å; H610-L614 VanDerWaalsContact O-CB 3.31Å; H610-L614 WeakPolarHBondContact O-CB 3.19Å; H610-L614 PolarHBondContact O-N 2.63Å; L611-L614 PolarHBondContact O-N 3.38Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.09Å; L614-Y617 HydrophobicContact CD1-CD1 4.35Å; L614-Y617 WeakPolarHBondContact O-CB 3.46Å; L614-Y617 PolarHBondContact O-N 3.5Å; L614-Y618 HydrophobicContact CD1-CD1 4.2Å; L614-Y618 HydrophobicContact CD1-CE1 3.6Å; L614-Y618 HydrophobicContact CD1-CE2 3.97Å; L614-Y618 VanDerWaalsContact CD1-CZ 3.47Å; L614-Y618 HydrophobicContact CD2-CE2 4.42Å; L614-Y618 HydrophobicContact CG-CD2 4.38Å; L614-Y618 HydrophobicContact CG-CE1 4.37Å; L614-Y618 HydrophobicContact CG-CE2 3.83Å; L614-Y618 WeakPolarHBondContact O-CB 3.36Å; L614-Y618 VanDerWaalsContact O-CG 3.29Å; L614-Y618 PolarHBondContact O-N 2.8Å; L614-L648 HydrophobicContact CD2-CD1 3.46Å; L614-L648 VanDerWaalsContact CD2-CD1 3.46Å; L614-L648 HydrophobicContact CG-CD1 4.25Å
615	N	98.2	Very high	98.2	Very high	38 Å²	38	55.2 Å²	55.2	20%	0.203	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-35.4	175.7	-72.9	-21.5	0	0	0	112.7	L611 Y613 Q619 P647 L648	L611-N615 VanDerWaalsContact O-CB 3.31Å; L611-N615 WeakPolarHBondContact O-CB 3.43Å; L611-N615 VanDerWaalsContact O-CG 3.23Å; L611-N615 PolarHBondContact O-N 2.81Å; L611-N615 PolarHBondContact O-ND2 2.88Å; Y613-N615 VanDerWaalsContact C-N 3.34Å; Y613-N615 PolarHBondContact O-N 3.15Å; N615-Q619 WeakPolarHBondContact O-CB 3.19Å; N615-Q619 PolarHBondContact O-N 3.35Å; N615-P647 VanDerWaalsContact OD1-CA 3.3Å; N615-P647 WeakPolarHBondContact OD1-CA 3.38Å; N615-L648 PolarHBondContact ND2-O 3.3Å; N615-L648 PolarHBondContact OD1-N 3.27Å
616	R	98.4	Very high	98.2	Very high	165 Å²	165	52.4 Å²	52.4	62%	0.623	25%	0.248	S	C	*	.	H	α-helix	trans	-68.4	-43	172.6	175.7	165.4	-75.7	165.5	-1.8	111.5	Q612 Y613 L614 Y618 Q619 T620	Q612-R616 WeakPolarHBondContact O-CB 3.24Å; Q612-R616 PolarHBondContact O-N 3.33Å; Y613-R616 CarbonylContact O-C 3.51Å; Y613-R616 WeakPolarHBondContact O-CB 3.39Å; Y613-R616 PolarHBondContact O-N 3.19Å; Y613-R616 VanDerWaalsContact O-N 3.11Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.09Å; R616-Y618 VanDerWaalsContact C-N 3.34Å; R616-Y618 PolarHBondContact O-N 3.14Å; R616-Q619 WeakPolarHBondContact O-CB 3.2Å; R616-Q619 PolarHBondContact O-N 3.07Å; R616-Q619 VanDerWaalsContact O-N 3.15Å; R616-T620 PolarHBondContact O-N 2.66Å; R616-T620 PolarHBondContact O-OG1 3.46Å; R616-T620 VanDerWaalsContact O-OG1 3.12Å
617	Y	98.6	Very high	98.2	Very high	11 Å²	11	55 Å²	55	4%	0.043	27%	0.265	C	S	.	.	H	α-helix	trans	-56.3	-48.5	174.6	173.8	-110.9	0	0	0	111.3	R464 D570 V590 S592 V594 Y596 Y613 L614 Q619 T620 I621	R464-Y617 PolarHBondContact NH2-OH 3.06Å; D570-Y617 PolarHBondContact OD1-OH 3.31Å; V590-Y617 HydrophobicContact CG1-CD2 4.49Å; V590-Y617 HydrophobicContact CG1-CE2 3.89Å; S592-Y617 VanDerWaalsContact O-CE2 3.29Å; S592-Y617 WeakPolarHBondContact O-CE2 3.39Å; S592-Y617 PolarHBondContact O-OH 3.04Å; V594-Y617 PolarHBondContact N-OH 3.03Å; V594-Y617 PolarHBondContact O-OH 3Å; Y596-Y617 HydrophobicContact CD2-CD1 4.28Å; Y596-Y617 HydrophobicContact CD2-CE1 4.06Å; Y596-Y617 AromaticContact CE2-CD1 3.86Å; Y596-Y617 HydrophobicContact CE2-CD1 3.86Å; Y596-Y617 AromaticContact CE2-CE1 3.66Å; Y596-Y617 HydrophobicContact CE2-CE1 3.66Å; Y613-Y617 PolarHBondContact O-N 2.71Å; L614-Y617 HydrophobicContact CD1-CD1 4.35Å; L614-Y617 WeakPolarHBondContact O-CB 3.46Å; L614-Y617 PolarHBondContact O-N 3.5Å; Y617-Q619 VanDerWaalsContact C-N 3.33Å; Y617-Q619 PolarHBondContact O-N 3.43Å; Y617-T620 WeakPolarHBondContact O-CB 3.23Å; Y617-T620 PolarHBondContact O-N 2.79Å; Y617-T620 VanDerWaalsContact O-N 3.1Å; Y617-I621 HydrophobicContact CD1-CD1 3.84Å; Y617-I621 HydrophobicContact CE1-CD1 3.34Å; Y617-I621 HydrophobicContact CE1-CG1 4.34Å; Y617-I621 HydrophobicContact CE2-CD1 4.22Å; Y617-I621 HydrophobicContact CE2-CG1 4.4Å; Y617-I621 HydrophobicContact CG-CD1 4.46Å; Y617-I621 WeakPolarHBondContact O-CG1 3.25Å; Y617-I621 PolarHBondContact O-N 3.08Å
618	Y	98.7	Very high	98.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-37.5	174.7	-72	-10.9	0	0	0	113.8	P595 Y596 L614 R616 I621 R622 T645 L648	P595-Y618 HydrophobicContact CB-CD1 4.4Å; P595-Y618 HydrophobicContact CB-CE1 4.01Å; Y596-Y618 HydrophobicContact CD2-CE1 4.36Å; Y596-Y618 PolarHBondContact O-OH 3.32Å; L614-Y618 HydrophobicContact CD1-CD1 4.2Å; L614-Y618 HydrophobicContact CD1-CE1 3.6Å; L614-Y618 HydrophobicContact CD1-CE2 3.97Å; L614-Y618 VanDerWaalsContact CD1-CZ 3.47Å; L614-Y618 HydrophobicContact CD2-CE2 4.42Å; L614-Y618 HydrophobicContact CG-CD2 4.38Å; L614-Y618 HydrophobicContact CG-CE1 4.37Å; L614-Y618 HydrophobicContact CG-CE2 3.83Å; L614-Y618 WeakPolarHBondContact O-CB 3.36Å; L614-Y618 VanDerWaalsContact O-CG 3.29Å; L614-Y618 PolarHBondContact O-N 2.8Å; R616-Y618 VanDerWaalsContact C-N 3.34Å; R616-Y618 PolarHBondContact O-N 3.14Å; Y618-I621 HydrophobicContact CD1-CD1 4.2Å; Y618-I621 PolarHBondContact O-N 3.36Å; Y618-R622 PolarHBondContact O-N 2.86Å; Y618-R622 PolarHBondContact O-NH1 2.94Å; Y618-T645 WeakPolarHBondContact CB-O 3.37Å; Y618-T645 HydrophobicContact CD1-CG2 4.4Å; Y618-T645 HydrophobicContact CG-CG2 4.45Å; Y618-L648 HydrophobicContact CE2-CD1 4.22Å; Y618-L648 HydrophobicContact CE2-CG 4.34Å
619	Q	98.6	Very high	98.3	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-45.8	171.1	179.4	-179.2	-5.8	0	0	111.6	N615 R616 Y617 I621 R622 E623	N615-Q619 WeakPolarHBondContact O-CB 3.19Å; N615-Q619 PolarHBondContact O-N 3.35Å; R616-Q619 WeakPolarHBondContact O-CB 3.2Å; R616-Q619 PolarHBondContact O-N 3.07Å; R616-Q619 VanDerWaalsContact O-N 3.15Å; Y617-Q619 VanDerWaalsContact C-N 3.33Å; Y617-Q619 PolarHBondContact O-N 3.43Å; Q619-I621 VanDerWaalsContact C-N 3.31Å; Q619-I621 PolarHBondContact O-N 3.04Å; Q619-R622 VanDerWaalsContact CA-NH2 3.33Å; Q619-R622 WeakPolarHBondContact O-CB 3.44Å; Q619-R622 PolarHBondContact O-N 2.66Å; Q619-R622 VanDerWaalsContact O-N 3.14Å; Q619-E623 HydrophobicContact CG-CG 4.47Å; Q619-E623 VanDerWaalsContact CG-OE1 3.28Å; Q619-E623 WeakPolarHBondContact CG-OE1 3.48Å; Q619-E623 PolarHBondContact NE2-OE1 2.77Å; Q619-E623 WeakPolarHBondContact O-CG 3.44Å; Q619-E623 PolarHBondContact O-N 3.04Å
620	T	98.6	Very high	98.3	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.252	23%	0.232	S	C	.	.	H	α-helix	trans	-60.7	-39.7	177.8	-60.1	0	0	0	0	111.8	F593 R616 Y617 R622 E623 K624	F593-T620 HydrophobicContact CD1-CG2 4.39Å; F593-T620 HydrophobicContact CE1-CG2 3.9Å; R616-T620 PolarHBondContact O-N 2.66Å; R616-T620 PolarHBondContact O-OG1 3.46Å; R616-T620 VanDerWaalsContact O-OG1 3.12Å; Y617-T620 WeakPolarHBondContact O-CB 3.23Å; Y617-T620 PolarHBondContact O-N 2.79Å; Y617-T620 VanDerWaalsContact O-N 3.1Å; T620-R622 VanDerWaalsContact C-N 3.35Å; T620-R622 PolarHBondContact O-N 2.85Å; T620-E623 PolarHBondContact O-N 2.96Å; T620-K624 HydrophobicContact CG2-CG 3.97Å; T620-K624 WeakPolarHBondContact O-CB 3.32Å; T620-K624 WeakPolarHBondContact O-CG 3.48Å; T620-K624 PolarHBondContact O-N 3.17Å
621	I	98.8	Very high	98.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-48.4	173.4	-70.4	166.8	0	0	0	111	F593 P595 Y617 Y618 Q619 E623 K624 V625 L641 T645	F593-I621 HydrophobicContact CB-CG1 4.04Å; F593-I621 HydrophobicContact CD1-CG1 4.49Å; P595-I621 HydrophobicContact CB-CD1 4.41Å; Y617-I621 HydrophobicContact CD1-CD1 3.84Å; Y617-I621 HydrophobicContact CE1-CD1 3.34Å; Y617-I621 HydrophobicContact CE1-CG1 4.34Å; Y617-I621 HydrophobicContact CE2-CD1 4.22Å; Y617-I621 HydrophobicContact CE2-CG1 4.4Å; Y617-I621 HydrophobicContact CG-CD1 4.46Å; Y617-I621 WeakPolarHBondContact O-CG1 3.25Å; Y617-I621 PolarHBondContact O-N 3.08Å; Y618-I621 HydrophobicContact CD1-CD1 4.2Å; Y618-I621 PolarHBondContact O-N 3.36Å; Q619-I621 VanDerWaalsContact C-N 3.31Å; Q619-I621 PolarHBondContact O-N 3.04Å; I621-E623 VanDerWaalsContact C-N 3.31Å; I621-E623 PolarHBondContact O-N 3.05Å; I621-K624 PolarHBondContact O-N 3.44Å; I621-V625 WeakPolarHBondContact O-CB 3.38Å; I621-V625 PolarHBondContact O-N 2.92Å; I621-L641 HydrophobicContact CG2-CD1 3.62Å; I621-L641 HydrophobicContact CG2-CD2 4.44Å; I621-L641 HydrophobicContact CG2-CG 4.03Å; I621-T645 HydrophobicContact CB-CG2 4.19Å; I621-T645 HydrophobicContact CD1-CG2 4.44Å; I621-T645 HydrophobicContact CG2-CG2 3.92Å
622	R	98.6	Very high	98.3	Very high	72 Å²	72	59.7 Å²	59.7	27%	0.272	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-41.5	177.1	-70.9	-172.2	-67.1	-83.6	3.4	112.7	Y618 Q619 T620 G626 P627 L641 T645	Y618-R622 PolarHBondContact O-N 2.86Å; Y618-R622 PolarHBondContact O-NH1 2.94Å; Q619-R622 VanDerWaalsContact CA-NH2 3.33Å; Q619-R622 WeakPolarHBondContact O-CB 3.44Å; Q619-R622 PolarHBondContact O-N 2.66Å; Q619-R622 VanDerWaalsContact O-N 3.14Å; T620-R622 VanDerWaalsContact C-N 3.35Å; T620-R622 PolarHBondContact O-N 2.85Å; R622-G626 WeakPolarHBondContact O-CA 3.49Å; R622-G626 PolarHBondContact O-N 3Å; R622-P627 WeakPolarHBondContact O-CD 3.43Å; R622-L641 HydrophobicContact CB-CD2 4.38Å; R622-L641 HydrophobicContact CG-CD2 3.74Å; R622-T645 VanDerWaalsContact CG-OG1 3.28Å; R622-T645 WeakPolarHBondContact CG-OG1 3.43Å; R622-T645 PolarHBondContact NH1-O 2.96Å; R622-T645 PolarHBondContact NH1-OG1 3.49Å
623	E	98.5	Very high	98.3	Very high	106 Å²	106	61.5 Å²	61.5	50%	0.495	27%	0.274	S	S	.	.	H	α-helix	trans	-70.3	-34.6	-178.4	-70.6	169.6	-179.5	0	0	112.7	Q619 T620 I621 P627	Q619-E623 HydrophobicContact CG-CG 4.47Å; Q619-E623 VanDerWaalsContact CG-OE1 3.28Å; Q619-E623 WeakPolarHBondContact CG-OE1 3.48Å; Q619-E623 PolarHBondContact NE2-OE1 2.77Å; Q619-E623 WeakPolarHBondContact O-CG 3.44Å; Q619-E623 PolarHBondContact O-N 3.04Å; T620-E623 PolarHBondContact O-N 2.96Å; I621-E623 VanDerWaalsContact C-N 3.31Å; I621-E623 PolarHBondContact O-N 3.05Å; E623-P627 WeakPolarHBondContact O-CD 3.26Å
624	K	98.3	Very high	98.3	Very high	114 Å²	114	60.6 Å²	60.6	50%	0.496	27%	0.272	S	S	.	.	H	α-helix	trans	-92.1	-43.5	-175.1	-64.6	-62.7	-175.3	179.6	0	113.5	V370 F593 T620 I621	V370-K624 HydrophobicContact CG2-CB 4.48Å; F593-K624 HydrophobicContact CD2-CB 4.18Å; F593-K624 HydrophobicContact CE1-CG 4.43Å; F593-K624 HydrophobicContact CE2-CB 4.19Å; F593-K624 HydrophobicContact CE2-CG 4.25Å; F593-K624 HydrophobicContact CG-CB 4.48Å; F593-K624 HydrophobicContact CZ-CG 4.13Å; T620-K624 HydrophobicContact CG2-CG 3.97Å; T620-K624 WeakPolarHBondContact O-CB 3.32Å; T620-K624 WeakPolarHBondContact O-CG 3.48Å; T620-K624 PolarHBondContact O-N 3.17Å; I621-K624 PolarHBondContact O-N 3.44Å
625	V	98.6	Very high	98.3	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-98.4	-33.1	-172.7	-174.2	0	0	0	0	111.8	A373 V374 I377 F593 I621 E628 L629 L641	A373-V625 HydrophobicContact CB-CG1 4.42Å; A373-V625 HydrophobicContact CB-CG2 3.91Å; V374-V625 HydrophobicContact CG2-CG1 4Å; I377-V625 HydrophobicContact CD1-CG1 3.76Å; F593-V625 HydrophobicContact CB-CG2 3.49Å; F593-V625 VanDerWaalsContact CB-CG2 3.49Å; F593-V625 HydrophobicContact CD2-CG2 4.37Å; F593-V625 HydrophobicContact CG-CG2 4.26Å; I621-V625 WeakPolarHBondContact O-CB 3.38Å; I621-V625 PolarHBondContact O-N 2.92Å; V625-E628 PolarHBondContact O-N 2.89Å; V625-L629 HydrophobicContact CG1-CD1 4.15Å; V625-L629 HydrophobicContact CG1-CG 4.15Å; V625-L629 PolarHBondContact O-N 2.76Å; V625-L629 VanDerWaalsContact O-N 3.09Å; V625-L641 HydrophobicContact CB-CD1 3.95Å; V625-L641 HydrophobicContact CG1-CD1 3.93Å
626	G	98.3	Very high	98.3	Very high	1 Å²	1	69 Å²	69	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-52.3	-50.7	-179.6	0	0	0	0	0	114.1	R622 E628 L629 Q630	R622-G626 WeakPolarHBondContact O-CA 3.49Å; R622-G626 PolarHBondContact O-N 3Å; G626-E628 VanDerWaalsContact C-N 3.26Å; G626-E628 PolarHBondContact O-N 3.24Å; G626-L629 PolarHBondContact O-N 2.88Å; G626-Q630 WeakPolarHBondContact O-CG 3.47Å; G626-Q630 PolarHBondContact O-N 3.42Å; G626-Q630 VanDerWaalsContact O-N 3.08Å
627	P	98.2	Very high	98.3	Very high	70 Å²	70	62.5 Å²	62.5	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-35.6	177.5	-26.9	35.8	0	0	0	113.5	R622 E623 Q630 R631	R622-P627 WeakPolarHBondContact O-CD 3.43Å; E623-P627 WeakPolarHBondContact O-CD 3.26Å; P627-Q630 PolarHBondContact O-N 2.96Å; P627-R631 VanDerWaalsContact O-CB 3.25Å; P627-R631 WeakPolarHBondContact O-CB 3.5Å; P627-R631 PolarHBondContact O-N 2.91Å
628	E	97.8	Very high	98.3	Very high	39 Å²	39	63.6 Å²	63.6	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-71.4	-41.7	-179.1	-178.6	58.2	-162.9	0	0	111.9	V370 V374 V625 G626 Q630 R631 R632	V370-E628 HydrophobicContact CG1-CB 4.46Å; V374-E628 HydrophobicContact CG2-CB 4.38Å; V374-E628 HydrophobicContact CG2-CG 3.81Å; V625-E628 PolarHBondContact O-N 2.89Å; G626-E628 VanDerWaalsContact C-N 3.26Å; G626-E628 PolarHBondContact O-N 3.24Å; E628-Q630 PolarHBondContact O-N 3.05Å; E628-R631 PolarHBondContact O-N 3.11Å; E628-R631 IonicContact OE1-CZ 2.66Å; E628-R631 IonicContact OE1-NE 3.74Å; E628-R631 IonicContact OE1-NH2 3.54Å; E628-R631 PolarHBondContact OE1-NH2 3.42Å; E628-R631 IonicContact OE2-CZ 3.43Å; E628-R631 IonicContact OE2-NE 3.44Å; E628-R631 PolarHBondContact OE2-NE 2.97Å; E628-R631 IonicContact OE2-NH2 2.79Å; E628-R631 PolarHBondContact OE2-NH2 3.28Å; E628-R632 WeakPolarHBondContact O-CB 3.38Å; E628-R632 WeakPolarHBondContact O-CG 3.4Å; E628-R632 PolarHBondContact O-N 3.06Å; E628-R632 WeakPolarHBondContact OE1-CD 3.44Å
629	L	98.4	Very high	98.3	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-44.4	173.1	-66.2	174.8	0	0	0	111.5	V374 V625 G626 R632 Q633 L634 E637 F638 L641	V374-L629 HydrophobicContact CB-CD2 4.28Å; V374-L629 HydrophobicContact CG1-CD2 3.74Å; V374-L629 HydrophobicContact CG2-CD2 3.94Å; V374-L629 HydrophobicContact CG2-CG 4.44Å; V625-L629 HydrophobicContact CG1-CD1 4.15Å; V625-L629 HydrophobicContact CG1-CG 4.15Å; V625-L629 PolarHBondContact O-N 2.76Å; V625-L629 VanDerWaalsContact O-N 3.09Å; G626-L629 PolarHBondContact O-N 2.88Å; L629-R632 CarbonylContact O-C 3.56Å; L629-R632 PolarHBondContact O-N 2.89Å; L629-Q633 PolarHBondContact O-N 2.95Å; L629-Q633 VanDerWaalsContact O-N 3.14Å; L629-L634 HydrophobicContact CB-CB 4.32Å; L629-L634 HydrophobicContact CD2-CB 3.98Å; L629-L634 HydrophobicContact CD2-CD1 3.8Å; L629-L634 PolarHBondContact O-N 3.33Å; L629-E637 HydrophobicContact CD1-CB 4.24Å; L629-E637 HydrophobicContact CD2-CB 3.96Å; L629-F638 HydrophobicContact CB-CB 4.1Å; L629-F638 HydrophobicContact CB-CD2 4.39Å; L629-F638 HydrophobicContact CD1-CB 4.41Å; L629-L641 HydrophobicContact CD1-CB 4.24Å; L629-L641 HydrophobicContact CD1-CD1 3.86Å
630	Q	98.1	Very high	98.3	Very high	101 Å²	101	66.2 Å²	66.2	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-45.6	177.1	-69.2	-179.2	-55.6	0	0	112	G626 P627 E628 R632 Q633 F638	G626-Q630 WeakPolarHBondContact O-CG 3.47Å; G626-Q630 PolarHBondContact O-N 3.42Å; G626-Q630 VanDerWaalsContact O-N 3.08Å; P627-Q630 PolarHBondContact O-N 2.96Å; E628-Q630 PolarHBondContact O-N 3.05Å; Q630-R632 PolarHBondContact O-N 3.3Å; Q630-Q633 PolarHBondContact O-N 3.25Å; Q630-F638 HydrophobicContact CG-CD1 4.16Å; Q630-F638 HydrophobicContact CG-CD2 3.69Å; Q630-F638 HydrophobicContact CG-CE1 4.18Å; Q630-F638 HydrophobicContact CG-CE2 3.71Å; Q630-F638 HydrophobicContact CG-CG 3.92Å; Q630-F638 HydrophobicContact CG-CZ 3.96Å
631	R	97.8	Very high	98.3	Very high	159 Å²	159	64.3 Å²	64.3	60%	0.6	29%	0.293	S	S	*	.	H	α-helix	trans	-57.2	-37	177.6	-171.3	-167.7	70.1	76	-2.4	111.8	P627 E628	P627-R631 VanDerWaalsContact O-CB 3.25Å; P627-R631 WeakPolarHBondContact O-CB 3.5Å; P627-R631 PolarHBondContact O-N 2.91Å; E628-R631 PolarHBondContact O-N 3.11Å; E628-R631 IonicContact OE1-CZ 2.66Å; E628-R631 IonicContact OE1-NE 3.74Å; E628-R631 IonicContact OE1-NH2 3.54Å; E628-R631 PolarHBondContact OE1-NH2 3.42Å; E628-R631 IonicContact OE2-CZ 3.43Å; E628-R631 IonicContact OE2-NE 3.44Å; E628-R631 PolarHBondContact OE2-NE 2.97Å; E628-R631 IonicContact OE2-NH2 2.79Å; E628-R631 PolarHBondContact OE2-NH2 3.28Å
632	R	97.2	Very high	98.3	Very high	70 Å²	70	68.6 Å²	68.6	26%	0.264	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.4	178.3	-68.3	177.1	65	174.2	1	114.5	E408 E628 L629 Q630 L634	E408-R632 IonicContact OE1-CZ 2.81Å; E408-R632 VanDerWaalsContact OE1-CZ 3.27Å; E408-R632 IonicContact OE1-NH1 3.5Å; E408-R632 PolarHBondContact OE1-NH1 2.82Å; E408-R632 IonicContact OE1-NH2 3.27Å; E408-R632 PolarHBondContact OE1-NH2 3.5Å; E408-R632 IonicContact OE2-CZ 2.71Å; E408-R632 IonicContact OE2-NH1 3.53Å; E408-R632 PolarHBondContact OE2-NH1 3.36Å; E408-R632 IonicContact OE2-NH2 3.63Å; E628-R632 WeakPolarHBondContact O-CB 3.38Å; E628-R632 WeakPolarHBondContact O-CG 3.4Å; E628-R632 PolarHBondContact O-N 3.06Å; E628-R632 WeakPolarHBondContact OE1-CD 3.44Å; L629-R632 CarbonylContact O-C 3.56Å; L629-R632 PolarHBondContact O-N 2.89Å; Q630-R632 PolarHBondContact O-N 3.3Å; R632-L634 HydrophobicContact CB-CD1 4.06Å; R632-L634 HydrophobicContact CB-CG 4Å; R632-L634 PolarHBondContact O-N 3.41Å
633	Q	98.1	Very high	98.3	Very high	165 Å²	165	69.6 Å²	69.6	77%	0.771	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	27.6	-176.8	-53.7	-178.6	-3.6	0	0	114.1	L629 Q630 L635	L629-Q633 PolarHBondContact O-N 2.95Å; L629-Q633 VanDerWaalsContact O-N 3.14Å; Q630-Q633 PolarHBondContact O-N 3.25Å; Q633-L635 PolarHBondContact O-N 3Å
634	L	98.4	Very high	98.2	Very high	30 Å²	30	66.6 Å²	66.6	16%	0.157	31%	0.306	C	S	.	.			trans	-83.2	64	173.4	-63.6	175	0	0	0	109.7	V374 R378 L629 R632 E636 E637 F638	V374-L634 HydrophobicContact CG1-CD1 3.66Å; R378-L634 HydrophobicContact CG-CD1 4.28Å; L629-L634 HydrophobicContact CB-CB 4.32Å; L629-L634 HydrophobicContact CD2-CB 3.98Å; L629-L634 HydrophobicContact CD2-CD1 3.8Å; L629-L634 PolarHBondContact O-N 3.33Å; R632-L634 HydrophobicContact CB-CD1 4.06Å; R632-L634 HydrophobicContact CB-CG 4Å; R632-L634 PolarHBondContact O-N 3.41Å; L634-E636 VanDerWaalsContact C-N 3.32Å; L634-E636 PolarHBondContact O-N 3.33Å; L634-E637 WeakPolarHBondContact CA-OE2 3.41Å; L634-E637 HydrophobicContact CB-CB 4.19Å; L634-E637 HydrophobicContact CB-CG 4.41Å; L634-E637 WeakPolarHBondContact CB-OE2 3.5Å; L634-F638 WeakPolarHBondContact O-CB 3.25Å; L634-F638 PolarHBondContact O-N 3.26Å
635	L	98.2	Very high	98.2	Very high	117 Å²	117	61.1 Å²	61.1	61%	0.613	28%	0.283	S	S	*	.	H	α-helix	trans	-69.4	-29.2	-169.4	-61.7	-176.7	0	0	0	113.3	Q633 K639	Q633-L635 PolarHBondContact O-N 3Å; L635-K639 PolarHBondContact O-N 3.5Å
636	E	98.5	Very high	98.2	Very high	99 Å²	99	66.5 Å²	66.5	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-72.7	-47.4	178	-178.1	169.4	-148.3	0	0	111.1	V381 K385 L634 F638 K639 W640	V381-E636 HydrophobicContact CG1-CG 4.17Å; K385-E636 WeakPolarHBondContact CE-OE1 3.27Å; K385-E636 IonicContact NZ-OE1 2.67Å; K385-E636 PolarHBondContact NZ-OE1 3.15Å; K385-E636 IonicContact NZ-OE2 2.62Å; K385-E636 PolarHBondContact NZ-OE2 3.09Å; L634-E636 VanDerWaalsContact C-N 3.32Å; L634-E636 PolarHBondContact O-N 3.33Å; E636-F638 VanDerWaalsContact C-N 3.26Å; E636-F638 PolarHBondContact O-N 2.99Å; E636-K639 PolarHBondContact O-N 3.34Å; E636-W640 WeakPolarHBondContact O-CB 3.02Å; E636-W640 PolarHBondContact O-N 3.39Å
637	E	98.8	Very high	98	Very high	27 Å²	27	70.6 Å²	70.6	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-39.4	172.9	-65.5	80.3	178	0	0	111.2	I377 R378 V381 L629 L634 W640 L641	I377-E637 HydrophobicContact CG2-CB 3.92Å; I377-E637 HydrophobicContact CG2-CG 4.33Å; R378-E637 HydrophobicContact CB-CG 4.45Å; R378-E637 HydrophobicContact CG-CG 3.82Å; V381-E637 HydrophobicContact CG2-CG 4.17Å; L629-E637 HydrophobicContact CD1-CB 4.24Å; L629-E637 HydrophobicContact CD2-CB 3.96Å; L634-E637 WeakPolarHBondContact CA-OE2 3.41Å; L634-E637 HydrophobicContact CB-CB 4.19Å; L634-E637 HydrophobicContact CB-CG 4.41Å; L634-E637 WeakPolarHBondContact CB-OE2 3.5Å; E637-W640 PolarHBondContact O-N 2.85Å; E637-L641 VanDerWaalsContact O-CB 3.29Å; E637-L641 WeakPolarHBondContact O-CB 3.49Å; E637-L641 PolarHBondContact O-N 3.4Å
638	F	98.8	Very high	97.7	Very high	35 Å²	35	68.3 Å²	68.3	15%	0.154	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-46.3	174.9	-179.8	-107.5	0	0	0	111.8	L629 Q630 L634 E636 L641 Q642	L629-F638 HydrophobicContact CB-CB 4.1Å; L629-F638 HydrophobicContact CB-CD2 4.39Å; L629-F638 HydrophobicContact CD1-CB 4.41Å; Q630-F638 HydrophobicContact CG-CD1 4.16Å; Q630-F638 HydrophobicContact CG-CD2 3.69Å; Q630-F638 HydrophobicContact CG-CE1 4.18Å; Q630-F638 HydrophobicContact CG-CE2 3.71Å; Q630-F638 HydrophobicContact CG-CG 3.92Å; Q630-F638 HydrophobicContact CG-CZ 3.96Å; L634-F638 WeakPolarHBondContact O-CB 3.25Å; L634-F638 PolarHBondContact O-N 3.26Å; E636-F638 VanDerWaalsContact C-N 3.26Å; E636-F638 PolarHBondContact O-N 2.99Å; F638-L641 PolarHBondContact O-N 2.95Å; F638-Q642 VanDerWaalsContact CE1-CD 3.49Å; F638-Q642 HydrophobicContact CE1-CG 4.24Å; F638-Q642 HydrophobicContact CZ-CG 4.19Å; F638-Q642 WeakPolarHBondContact O-CG 3.35Å; F638-Q642 PolarHBondContact O-N 2.8Å
639	K	98.6	Very high	97.2	Very high	127 Å²	127	70.2 Å²	70.2	55%	0.552	34%	0.34	S	S	*	.	H	α-helix	trans	-63	-43.3	176.2	-177.1	-178.9	177.1	-174.6	0	111.4	L635 E636 L641 Q642 Q643	L635-K639 PolarHBondContact O-N 3.5Å; E636-K639 PolarHBondContact O-N 3.34Å; K639-L641 VanDerWaalsContact C-N 3.34Å; K639-L641 PolarHBondContact O-N 2.84Å; K639-Q642 PolarHBondContact O-N 3.3Å; K639-Q643 WeakPolarHBondContact O-CG 2.87Å; K639-Q643 PolarHBondContact O-N 3.08Å; K639-Q643 VanDerWaalsContact O-N 3.09Å
640	W	98.6	Very high	96	Very high	18 Å²	18	73.4 Å²	73.4	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-58.6	-46.6	175.8	-179.3	94.4	0	0	0	111.4	I377 L380 V381 E384 P595 E636 E637 Q642 Q643 H644	I377-W640 HydrophobicContact CG1-CZ3 4.07Å; I377-W640 HydrophobicContact CG2-CE3 3.74Å; I377-W640 HydrophobicContact CG2-CZ3 4.02Å; L380-W640 HydrophobicContact CB-CH2 4.04Å; L380-W640 HydrophobicContact CB-CZ2 3.91Å; L380-W640 HydrophobicContact CD1-CH2 3.74Å; L380-W640 HydrophobicContact CD1-CZ2 4.28Å; V381-W640 HydrophobicContact CG2-CB 3.57Å; V381-W640 HydrophobicContact CG2-CD2 3.66Å; V381-W640 HydrophobicContact CG2-CE3 4.24Å; V381-W640 HydrophobicContact CG2-CG 3.34Å; E384-W640 PolarHBondContact OE1-NE1 2.8Å; E384-W640 VanDerWaalsContact OE2-CD1 3.28Å; E384-W640 PolarHBondContact OE2-NE1 3.01Å; P595-W640 HydrophobicContact CG-CH2 3.73Å; P595-W640 HydrophobicContact CG-CZ3 3.71Å; E636-W640 WeakPolarHBondContact O-CB 3.02Å; E636-W640 PolarHBondContact O-N 3.39Å; E637-W640 PolarHBondContact O-N 2.85Å; W640-Q642 VanDerWaalsContact C-N 3.32Å; W640-Q642 PolarHBondContact O-N 3.18Å; W640-Q643 PolarHBondContact O-N 3.05Å; W640-H644 AromaticContact CD1-CE1 3.44Å; W640-H644 VanDerWaalsContact CD1-CE1 3.44Å; W640-H644 AromaticContact CD1-ND1 3.53Å; W640-H644 AromaticContact CD2-ND1 3.5Å; W640-H644 AromaticContact CE2-CE1 3.47Å; W640-H644 VanDerWaalsContact CE2-CE1 3.47Å; W640-H644 AromaticContact CE2-CG 3.72Å; W640-H644 AromaticContact CE2-ND1 3.28Å; W640-H644 VanDerWaalsContact CE2-ND1 3.28Å; W640-H644 HydrophobicContact CE3-CB 4.48Å; W640-H644 AromaticContact CG-ND1 3.66Å; W640-H644 HydrophobicContact CH2-CB 4.23Å; W640-H644 HydrophobicContact CZ2-CB 4.35Å; W640-H644 AromaticContact CZ2-CD2 3.95Å; W640-H644 AromaticContact CZ2-CG 3.74Å; W640-H644 AromaticContact CZ2-ND1 3.8Å; W640-H644 HydrophobicContact CZ3-CB 4.29Å; W640-H644 AromaticContact NE1-CE1 3.05Å; W640-H644 PolarHBondContact NE1-CE1 3.34Å; W640-H644 AromaticContact NE1-ND1 3.3Å; W640-H644 PolarHBondContact NE1-ND1 3.14Å; W640-H644 AromaticContact NE1-NE2 3.79Å; W640-H644 PolarHBondContact O-N 3.49Å; W640-H644 PolarHBondContact O-ND1 2.91Å
641	L	98.6	Very high	94.1	Very high	0 Å²	0	79.7 Å²	79.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-60.4	-42.3	177.1	175.2	149.6	0	0	0	111.1	I377 I621 R622 V625 L629 E637 F638 K639 Q643 H644 T645	I377-L641 HydrophobicContact CD1-CD1 3.67Å; I621-L641 HydrophobicContact CG2-CD1 3.62Å; I621-L641 HydrophobicContact CG2-CD2 4.44Å; I621-L641 HydrophobicContact CG2-CG 4.03Å; R622-L641 HydrophobicContact CB-CD2 4.38Å; R622-L641 HydrophobicContact CG-CD2 3.74Å; V625-L641 HydrophobicContact CB-CD1 3.95Å; V625-L641 HydrophobicContact CG1-CD1 3.93Å; L629-L641 HydrophobicContact CD1-CB 4.24Å; L629-L641 HydrophobicContact CD1-CD1 3.86Å; E637-L641 VanDerWaalsContact O-CB 3.29Å; E637-L641 WeakPolarHBondContact O-CB 3.49Å; E637-L641 PolarHBondContact O-N 3.4Å; F638-L641 PolarHBondContact O-N 2.95Å; K639-L641 VanDerWaalsContact C-N 3.34Å; K639-L641 PolarHBondContact O-N 2.84Å; L641-Q643 PolarHBondContact O-N 2.72Å; L641-H644 PolarHBondContact O-N 3.49Å; L641-T645 HydrophobicContact CG-CG2 4.39Å; L641-T645 VanDerWaalsContact O-CB 3.3Å; L641-T645 WeakPolarHBondContact O-CB 3.42Å; L641-T645 VanDerWaalsContact O-CG2 3.23Å; L641-T645 WeakPolarHBondContact O-CG2 3.39Å; L641-T645 PolarHBondContact O-N 3.06Å; L641-T645 VanDerWaalsContact O-N 3.1Å; L641-T645 PolarHBondContact O-OG1 3.03Å
642	Q	98.3	Very high	91.5	Very high	91 Å²	91	75.9 Å²	75.9	43%	0.425	39%	0.389	S	S	.	.	H	α-helix	trans	-60.2	-46.4	177.5	-72.7	-178.2	-57.4	0	0	111.6	F638 K639 W640 T645 E646	F638-Q642 VanDerWaalsContact CE1-CD 3.49Å; F638-Q642 HydrophobicContact CE1-CG 4.24Å; F638-Q642 HydrophobicContact CZ-CG 4.19Å; F638-Q642 WeakPolarHBondContact O-CG 3.35Å; F638-Q642 PolarHBondContact O-N 2.8Å; K639-Q642 PolarHBondContact O-N 3.3Å; W640-Q642 VanDerWaalsContact C-N 3.32Å; W640-Q642 PolarHBondContact O-N 3.18Å; Q642-T645 PolarHBondContact O-N 2.89Å; Q642-T645 PolarHBondContact O-OG1 3.07Å; Q642-E646 PolarHBondContact O-N 3.47Å
643	Q	97.8	Very high	88.9	Confident	93 Å²	93	77.8 Å²	77.8	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-46.3	179.5	-69.1	173.4	-24.8	0	0	111.9	K639 W640 L641 T645 E646	K639-Q643 WeakPolarHBondContact O-CG 2.87Å; K639-Q643 PolarHBondContact O-N 3.08Å; K639-Q643 VanDerWaalsContact O-N 3.09Å; W640-Q643 PolarHBondContact O-N 3.05Å; L641-Q643 PolarHBondContact O-N 2.72Å; Q643-T645 PolarHBondContact O-N 3.28Å; Q643-E646 PolarHBondContact O-N 3.32Å
644	H	97.8	Very high	86.1	Confident	42 Å²	42	77.9 Å²	77.9	19%	0.194	42%	0.416	C	S	.	.	H	α-helix	trans	-75.7	-9	-176.7	-71.5	82.4	0	0	0	113.9	E384 P595 W640 L641	E384-H644 IonicContact OE1-CE1 3.6Å; E384-H644 IonicContact OE1-NE2 2.87Å; E384-H644 PolarHBondContact OE1-NE2 3.38Å; E384-H644 IonicContact OE2-CE1 3.92Å; P595-H644 HydrophobicContact CB-CB 4.31Å; P595-H644 HydrophobicContact CG-CB 3.94Å; W640-H644 AromaticContact CD1-CE1 3.44Å; W640-H644 VanDerWaalsContact CD1-CE1 3.44Å; W640-H644 AromaticContact CD1-ND1 3.53Å; W640-H644 AromaticContact CD2-ND1 3.5Å; W640-H644 AromaticContact CE2-CE1 3.47Å; W640-H644 VanDerWaalsContact CE2-CE1 3.47Å; W640-H644 AromaticContact CE2-CG 3.72Å; W640-H644 AromaticContact CE2-ND1 3.28Å; W640-H644 VanDerWaalsContact CE2-ND1 3.28Å; W640-H644 HydrophobicContact CE3-CB 4.48Å; W640-H644 AromaticContact CG-ND1 3.66Å; W640-H644 HydrophobicContact CH2-CB 4.23Å; W640-H644 HydrophobicContact CZ2-CB 4.35Å; W640-H644 AromaticContact CZ2-CD2 3.95Å; W640-H644 AromaticContact CZ2-CG 3.74Å; W640-H644 AromaticContact CZ2-ND1 3.8Å; W640-H644 HydrophobicContact CZ3-CB 4.29Å; W640-H644 AromaticContact NE1-CE1 3.05Å; W640-H644 PolarHBondContact NE1-CE1 3.34Å; W640-H644 AromaticContact NE1-ND1 3.3Å; W640-H644 PolarHBondContact NE1-ND1 3.14Å; W640-H644 AromaticContact NE1-NE2 3.79Å; W640-H644 PolarHBondContact O-N 3.49Å; W640-H644 PolarHBondContact O-ND1 2.91Å; L641-H644 PolarHBondContact O-N 3.49Å
645	T	98.3	Very high	83.1	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	3.3	177.3	61.6	0	0	0	0	113.1	P595 Y618 I621 R622 L641 Q642 Q643	P595-T645 HydrophobicContact CB-CG2 4.11Å; P595-T645 HydrophobicContact CG-CG2 4.41Å; Y618-T645 WeakPolarHBondContact CB-O 3.37Å; Y618-T645 HydrophobicContact CD1-CG2 4.4Å; Y618-T645 HydrophobicContact CG-CG2 4.45Å; I621-T645 HydrophobicContact CB-CG2 4.19Å; I621-T645 HydrophobicContact CD1-CG2 4.44Å; I621-T645 HydrophobicContact CG2-CG2 3.92Å; R622-T645 VanDerWaalsContact CG-OG1 3.28Å; R622-T645 WeakPolarHBondContact CG-OG1 3.43Å; R622-T645 PolarHBondContact NH1-O 2.96Å; R622-T645 PolarHBondContact NH1-OG1 3.49Å; L641-T645 HydrophobicContact CG-CG2 4.39Å; L641-T645 VanDerWaalsContact O-CB 3.3Å; L641-T645 WeakPolarHBondContact O-CB 3.42Å; L641-T645 VanDerWaalsContact O-CG2 3.23Å; L641-T645 WeakPolarHBondContact O-CG2 3.39Å; L641-T645 PolarHBondContact O-N 3.06Å; L641-T645 VanDerWaalsContact O-N 3.1Å; L641-T645 PolarHBondContact O-OG1 3.03Å; Q642-T645 PolarHBondContact O-N 2.89Å; Q642-T645 PolarHBondContact O-OG1 3.07Å; Q643-T645 PolarHBondContact O-N 3.28Å
646	E	96.9	Very high	80.1	Confident	112 Å²	112	80 Å²	80	52%	0.523	44%	0.442	S	S	.	.	S	Bend	trans	-52.3	142.1	176.8	-73.1	-176.3	172.7	0	0	111.9	R598 Q642 Q643 L648	R598-E646 VanDerWaalsContact CZ-O 3.25Å; R598-E646 PolarHBondContact NH1-O 3.45Å; R598-E646 PolarHBondContact NH2-O 3.2Å; Q642-E646 PolarHBondContact O-N 3.47Å; Q643-E646 PolarHBondContact O-N 3.32Å; E646-L648 PolarHBondContact O-N 2.97Å
647	P	95	Very high	77.3	Confident	87 Å²	87	79.7 Å²	79.7	57%	0.565	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-56.1	133.8	179.5	-24.8	34.1	0	0	0	112.2	N615	N615-P647 VanDerWaalsContact OD1-CA 3.3Å; N615-P647 WeakPolarHBondContact OD1-CA 3.38Å
648	L	92.9	Very high	74.5	Confident	23 Å²	23	90 Å²	90	12%	0.12	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-78.7	132.6	168.1	-67.5	171.8	0	0	0	109	I601 L611 L614 N615 Y618 E646	I601-L648 HydrophobicContact CD1-CD1 4.15Å; I601-L648 HydrophobicContact CG2-CD1 4.48Å; L611-L648 HydrophobicContact CD2-CB 3.92Å; L614-L648 HydrophobicContact CD2-CD1 3.46Å; L614-L648 VanDerWaalsContact CD2-CD1 3.46Å; L614-L648 HydrophobicContact CG-CD1 4.25Å; N615-L648 PolarHBondContact ND2-O 3.3Å; N615-L648 PolarHBondContact OD1-N 3.27Å; Y618-L648 HydrophobicContact CE2-CD1 4.22Å; Y618-L648 HydrophobicContact CE2-CG 4.34Å; E646-L648 PolarHBondContact O-N 2.97Å
649	A	86.6	Confident	71.7	Confident	78 Å²	78	92.1 Å²	92.1	65%	0.645	51%	0.513	S	S	*	.			trans	-104.1	140	173.2	0	0	0	0	0	109.7	R651	A649-R651 PolarHBondContact O-N 2.8Å
650	A	73.1	Confident	68.8	Low	68 Å²	68	91.2 Å²	91.2	56%	0.562	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-58	124.9	164.4	0	0	0	0	0	107.7	L611 A652	L611-A650 HydrophobicContact CD1-CB 3.99Å; A650-A652 PolarHBondContact O-N 3.16Å; A650-A652 VanDerWaalsContact O-N 3.12Å
651	R	57.5	Low	66	Low	233 Å²	233	97 Å²	97	88%	0.879	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-58.1	122.9	166.1	-84	-176.1	174.9	178.1	-1.9	106.3	A649	A649-R651 PolarHBondContact O-N 2.8Å
652	A	44.7	Very low	63.1	Low	79 Å²	79	105.2 Å²	105.2	65%	0.653	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-54.5	135.5	162.4	0	0	0	0	0	106.5	A650 D654	A650-A652 PolarHBondContact O-N 3.16Å; A650-A652 VanDerWaalsContact O-N 3.12Å; A652-D654 PolarHBondContact O-N 2.67Å
653	P	41.4	Very low	60.4	Low	109 Å²	109	107.7 Å²	107.7	71%	0.708	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-53.2	133.5	170.2	22.2	-29.9	0	0	0	107.1	T655	P653-T655 PolarHBondContact O-N 2.62Å
654	D	39.3	Very low	57.5	Low	167 Å²	167	109.7 Å²	109.7	89%	0.893	64%	0.642	S	S	*	*			trans	-58.7	85.8	174.7	-78.6	-41.2	0	0	0	108.4	A652 A656	A652-D654 PolarHBondContact O-N 2.67Å; D654-A656 PolarHBondContact O-N 3.02Å
655	T	36.5	Very low	54.6	Low	123 Å²	123	113 Å²	113	76%	0.755	67%	0.67	S	S	*	*			trans	-70.1	88.7	157.7	54.8	0	0	0	0	104.1	P653 S657	P653-T655 PolarHBondContact O-N 2.62Å; T655-S657 PolarHBondContact O-N 3.43Å
656	A	35.4	Very low	51.5	Low	69 Å²	69	119.5 Å²	119.5	57%	0.57	71%	0.71	S	S	*	*			trans	-45.5	109.7	162.7	0	0	0	0	0	106.5	D654 W658	D654-A656 PolarHBondContact O-N 3.02Å; A656-W658 VanDerWaalsContact C-N 3.26Å; A656-W658 PolarHBondContact O-N 3.32Å
657	S	37.7	Very low	48.6	Very low	93 Å²	93	122.8 Å²	122.8	65%	0.65	73%	0.73	S	S	*	*			trans	-63.1	93.8	173.7	175.2	0	0	0	0	107.2	T655 A659	T655-S657 PolarHBondContact O-N 3.43Å; S657-A659 PolarHBondContact O-N 3.02Å
658	W	40.8	Very low	45.7	Very low	243 Å²	243	123 Å²	123	92%	0.92	74%	0.739	S	S	*	*			trans	-78.1	27.4	164	-80.2	81.6	0	0	0	111.1	A656	A656-W658 VanDerWaalsContact C-N 3.26Å; A656-W658 PolarHBondContact O-N 3.32Å
659	A	39.8	Very low	42.9	Very low	80 Å²	80	130 Å²	130	66%	0.661	78%	0.775	S	S	*	*			trans	-113.6	54.2	-178.2	0	0	0	0	0	110.9	S657	S657-A659 PolarHBondContact O-N 3.02Å
660	S	38.7	Very low	40.4	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	79%	0.789	S	S	*	*	S	Bend	trans	-156.5	33.4	167.2	-56.5	0	0	0	0	114.2
661	V	39.8	Very low	38.5	Very low	139 Å²	139	134.7 Å²	134.7	84%	0.842	80%	0.795	S	S	*	*	S	Bend	trans	-143.6	81	163.5	-172.8	0	0	0	0	109.2
662	L	36.3	Very low	37.4	Very low	173 Å²	173	135.8 Å²	135.8	91%	0.906	80%	0.799	S	S	*	*			trans	-169.8	62.7	160	-106.7	157.7	0	0	0	110.2
663	V	41.5	Very low	37	Very low	143 Å²	143	137.7 Å²	137.7	87%	0.867	81%	0.807	S	S	*	*			trans	-140.1	78.1	160.3	-174	0	0	0	0	108.8
664	V	38.3	Very low	36.7	Very low	135 Å²	135	144.2 Å²	144.2	82%	0.818	84%	0.835	S	S	*	*			trans	-157.2	117.3	145.6	-178.1	0	0	0	0	105.9
665	S	35.3	Very low	36.6	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	83%	0.832	S	S	*	*			trans	150.8	73.4	143.8	-65.3	0	0	0	0	112.3
666	T	35.2	Very low	36.6	Very low	137 Å²	137	144.1 Å²	144.1	84%	0.84	84%	0.836	S	S	*	*			trans	-149.9	91.8	152.9	43.9	0	0	0	0	109.1
667	L	34.6	Very low	36.6	Very low	180 Å²	180	148.3 Å²	148.3	94%	0.942	85%	0.851	S	S	*	*			trans	-172.5	86.9	157.1	-105	156.1	0	0	0	109.5
668	A	35.2	Very low	36.6	Very low	91 Å²	91	151.5 Å²	151.5	75%	0.752	86%	0.863	S	S	*	*			trans	-179.2	109.4	146.1	0	0	0	0	0	108.2
669	I	33.5	Very low	36.3	Very low	170 Å²	170	145.8 Å²	145.8	87%	0.872	86%	0.859	S	S	*	*			trans	169.4	91.1	136.8	-77.9	149.8	0	0	0	105.1
670	L	33.8	Very low	36.1	Very low	179 Å²	179	150.2 Å²	150.2	94%	0.937	87%	0.872	S	S	*	*			trans	-105.3	99.2	155.1	-99.6	158.9	0	0	0	105.1
671	G	32.7	Very low	35.9	Very low	67 Å²	67	153.3 Å²	153.3	69%	0.691	88%	0.881	S	S	*	*			trans	-92.7	134.7	167.4	0	0	0	0	0	109.5
672	W	34	Very low	35.6	Very low	255 Å²	255	154.4 Å²	154.4	97%	0.966	88%	0.884	S	S	*	*			trans	-52.8	145	179.6	-69.7	-21.8	0	0	0	116.3
673	S	37.3	Very low	35.5	Very low	119 Å²	119	152.8 Å²	152.8	83%	0.832	88%	0.882	S	S	*	*			trans	-177.5	108.6	143.9	-67.5	0	0	0	0	103.7
674	L	35	Very low	35	Very low	246 Å²	246	153.7 Å²	153.7	100%	1.288	88%	0.884	S	S	*	*				-160.7	0	50	-113	145.5	0	0	0	108.8

Retrieved 674 of 674 residues in 177.1 ms (Link to these results)

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