A0A087Y8U1_POEFO Loading...

Peroxisomal 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing]

AlphaFold DB , UniProt , Accession A0A087Y8U1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 aa.

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(Predicted Aligned Error values between residue pairs)

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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	45.3	Very low	61.6	Low	210 Å²	210	136.3 Å²	136.3	100%	1.034	65%	0.645	S	S	*	*				0	-18	0	-72.2	-137.5	-77.2	0	0	114.5
2	A	48.2	Very low	64.5	Low	87 Å²	87	128.3 Å²	128.3	72%	0.719	61%	0.609	S	S	*	*			trans	-85.5	-25	177.5	0	0	0	0	0	114.2
3	E	43	Very low	66.9	Low	177 Å²	177	122 Å²	122	83%	0.827	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-77.8	-31.8	-174.2	-130.6	155.3	-171.1	0	0	113.2	R5	E3-R5 VanDerWaalsContact C-N 3.26Å; E3-R5 PolarHBondContact O-N 2.98Å
4	H	40.8	Very low	68.8	Low	158 Å²	158	121.5 Å²	121.5	73%	0.731	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-75.2	-5.3	-179	-121.2	37.6	0	0	0	115
5	R	51	Low	70.5	Confident	176 Å²	176	116.8 Å²	116.8	66%	0.664	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-101.4	-6	-177.8	-98.3	-170.4	-95.7	-168.7	-6.9	114.7	E3	E3-R5 VanDerWaalsContact C-N 3.26Å; E3-R5 PolarHBondContact O-N 2.98Å
6	R	49.3	Very low	72.1	Confident	213 Å²	213	112.3 Å²	112.3	80%	0.804	55%	0.55	S	S	*	*	S	Bend	trans	-80.8	-15.7	176.6	-78.6	-172.5	179.9	-163.7	-0.3	113.4	E8	R6-E8 VanDerWaalsContact C-N 3.28Å; R6-E8 PolarHBondContact O-N 3.45Å
7	E	52.3	Low	73.6	Confident	158 Å²	158	109.6 Å²	109.6	74%	0.738	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-3.7	-173.3	-69.8	-179.8	156.5	0	0	114.5
8	E	72.4	Confident	75	Confident	171 Å²	171	104.9 Å²	104.9	80%	0.799	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	5.6	-175.4	-66.9	-176.4	162.9	0	0	115.2	R6	R6-E8 VanDerWaalsContact C-N 3.28Å; R6-E8 PolarHBondContact O-N 3.45Å
9	L	88.2	Confident	76.2	Confident	77 Å²	77	99.9 Å²	99.9	40%	0.403	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-81.6	138.3	179.6	-62.2	-177.9	0	0	0	111.5
10	P	92.1	Very high	77.1	Confident	20 Å²	20	100.4 Å²	100.4	13%	0.13	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-66.7	149.1	173	30.6	-35.1	0	0	0	110.3	N246 T248 E249	P10-N246 PolarHBondContact O-ND2 3.25Å; P10-T248 HydrophobicContact CB-CG2 3.79Å; P10-T248 HydrophobicContact CG-CG2 4.28Å; P10-E249 HydrophobicContact CG-CG 3.53Å
11	E	94.8	Very high	78	Confident	52 Å²	52	99.1 Å²	99.1	24%	0.243	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-61.4	135	-174.7	-54.7	91.4	152.7	0	0	111.1	L19 T23 T248	E11-L19 HydrophobicContact CB-CD1 4.39Å; E11-L19 HydrophobicContact CB-CD2 4.42Å; E11-L19 WeakPolarHBondContact O-CD2 3.33Å; E11-T23 WeakPolarHBondContact OE1-CB 3.34Å; E11-T23 PolarHBondContact OE1-N 3.18Å; E11-T23 PolarHBondContact OE1-OG1 3.31Å; E11-T23 PolarHBondContact OE2-N 3.15Å; E11-T248 WeakPolarHBondContact O-CB 3.31Å; E11-T248 WeakPolarHBondContact O-CG2 3.14Å; E11-T248 PolarHBondContact O-OG1 2.94Å
12	D	96.9	Very high	80.5	Confident	40 Å²	40	90.2 Å²	90.2	21%	0.214	47%	0.47	C	S	.	.			trans	-145.8	159.5	172.3	-160.2	18.7	0	0	0	111.4	R48 N246 K247	D12-R48 IonicContact OD1-CZ 3.22Å; D12-R48 VanDerWaalsContact OD1-CZ 3.3Å; D12-R48 IonicContact OD1-NE 3.73Å; D12-R48 PolarHBondContact OD1-NE 3.17Å; D12-R48 VanDerWaalsContact OD1-NE 3.09Å; D12-R48 IonicContact OD1-NH2 3.41Å; D12-R48 PolarHBondContact OD1-NH2 3.21Å; D12-N246 HydrophobicContact CB-CB 3.86Å; D12-N246 WeakPolarHBondContact OD2-CB 3.29Å; D12-K247 VanDerWaalsContact CG-NZ 3.31Å; D12-K247 WeakPolarHBondContact OD1-CE 3.43Å; D12-K247 IonicContact OD1-NZ 3.64Å; D12-K247 PolarHBondContact OD1-NZ 3.24Å; D12-K247 WeakPolarHBondContact OD2-CB 3.48Å; D12-K247 PolarHBondContact OD2-N 2.84Å; D12-K247 IonicContact OD2-NZ 2.77Å; D12-K247 PolarHBondContact OD2-NZ 2.53Å
13	V	96.1	Very high	82.7	Confident	47 Å²	47	90.5 Å²	90.5	29%	0.285	46%	0.463	S	S	.	.			trans	-128.7	145.5	172.3	-64.1	0	0	0	0	109.8	S15 D17 K247	V13-S15 VanDerWaalsContact C-N 3.27Å; V13-S15 PolarHBondContact O-N 3.19Å; V13-D17 HydrophobicContact CG2-CB 4.37Å; V13-D17 VanDerWaalsContact CG2-O 3.29Å; V13-D17 WeakPolarHBondContact CG2-O 3.37Å; V13-K247 VanDerWaalsContact O-CE 3.22Å; V13-K247 WeakPolarHBondContact O-CE 3.46Å; V13-K247 PolarHBondContact O-NZ 2.82Å
14	D	92.8	Very high	85.3	Confident	115 Å²	115	86 Å²	86	62%	0.615	44%	0.441	S	S	*	.	S	Bend	trans	-71	-19.7	-174.4	-80.8	-27	0	0	0	114.6	G218	D14-G218 VanDerWaalsContact O-CA 3.22Å; D14-G218 WeakPolarHBondContact O-CA 3.36Å
15	S	94.4	Very high	87.9	Confident	51 Å²	51	84.2 Å²	84.2	36%	0.357	44%	0.436	S	S	.	.	S	Bend	trans	-89.6	172.9	-178.7	57.1	0	0	0	0	113	V13 D17	V13-S15 VanDerWaalsContact C-N 3.27Å; V13-S15 PolarHBondContact O-N 3.19Å; S15-D17 VanDerWaalsContact CB-OD2 3.28Å; S15-D17 WeakPolarHBondContact CB-OD2 3.49Å; S15-D17 PolarHBondContact O-N 3.47Å; S15-D17 WeakPolarHBondContact OG-CB 3.45Å; S15-D17 PolarHBondContact OG-OD2 2.91Å
16	D	96.1	Very high	90.1	Very high	45 Å²	45	79.1 Å²	79.1	24%	0.241	42%	0.417	C	S	.	.	S	Bend	trans	-79.5	47.4	168.4	-70	-28.3	0	0	0	110.7	S43 G44 L47 K69	D16-S43 WeakPolarHBondContact OD1-CA 3.45Å; D16-S43 WeakPolarHBondContact OD2-CB 3.23Å; D16-G44 PolarHBondContact OD1-N 3.24Å; D16-L47 VanDerWaalsContact CA-CD2 3.48Å; D16-L47 HydrophobicContact CB-CD2 3.88Å; D16-L47 WeakPolarHBondContact O-CD2 3.24Å; D16-K69 WeakPolarHBondContact OD2-CE 3.41Å; D16-K69 IonicContact OD2-NZ 3.76Å; D16-K69 PolarHBondContact OD2-NZ 2.82Å
17	D	97.6	Very high	92.4	Very high	67 Å²	67	72 Å²	72	36%	0.358	40%	0.4	S	S	.	.			trans	-115.5	156.6	176.9	-63	-51.5	0	0	0	111.7	V13 S15 R48 K76	V13-D17 HydrophobicContact CG2-CB 4.37Å; V13-D17 VanDerWaalsContact CG2-O 3.29Å; V13-D17 WeakPolarHBondContact CG2-O 3.37Å; S15-D17 VanDerWaalsContact CB-OD2 3.28Å; S15-D17 WeakPolarHBondContact CB-OD2 3.49Å; S15-D17 PolarHBondContact O-N 3.47Å; S15-D17 WeakPolarHBondContact OG-CB 3.45Å; S15-D17 PolarHBondContact OG-OD2 2.91Å; D17-R48 PolarHBondContact O-NH1 2.79Å; D17-R48 PolarHBondContact O-NH2 3.07Å; D17-K76 WeakPolarHBondContact OD1-CE 3.47Å; D17-K76 IonicContact OD1-NZ 3.07Å; D17-K76 PolarHBondContact OD1-NZ 3.21Å
18	C	98.1	Very high	94.5	Very high	25 Å²	25	67.9 Å²	67.9	17%	0.169	39%	0.387	C	S	.	.			trans	-71	153.9	175.8	-67.7	0	0	0	0	112.1	E51 A80	C18-E51 VanDerWaalsContact CA-OE2 3.23Å; C18-E51 WeakPolarHBondContact CA-OE2 3.15Å; C18-A80 HydrophobicContact CB-CB 3.64Å
19	L	98	Very high	95.7	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.047	37%	0.369	C	S	.	.			trans	-64.2	136.5	174.3	-56	177.4	0	0	0	110.4	E11 S21 Y22 E51 I52 R55 T248	E11-L19 HydrophobicContact CB-CD1 4.39Å; E11-L19 HydrophobicContact CB-CD2 4.42Å; E11-L19 WeakPolarHBondContact O-CD2 3.33Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 WeakPolarHBondContact CB-O 3.19Å; L19-Y22 HydrophobicContact CD1-CD2 3.91Å; L19-Y22 HydrophobicContact CD1-CG 4.47Å; L19-E51 WeakPolarHBondContact CB-OE1 3.16Å; L19-E51 WeakPolarHBondContact CG-OE1 3.49Å; L19-E51 PolarHBondContact N-OE1 2.87Å; L19-E51 PolarHBondContact N-OE2 2.92Å; L19-I52 HydrophobicContact CD1-CD1 4.1Å; L19-R55 PolarHBondContact O-NH2 2.89Å; L19-T248 HydrophobicContact CD1-CG2 4.45Å
20	A	95.6	Very high	96.2	Very high	110 Å²	110	60.6 Å²	60.6	91%	0.909	35%	0.354	S	S	*	.	S	Bend	trans	-68.5	-33.1	174.9	0	0	0	0	0	112
21	S	95.2	Very high	96.6	Very high	74 Å²	74	59.6 Å²	59.6	52%	0.517	35%	0.347	S	S	.	.			trans	-143	155.1	174.7	58.2	0	0	0	0	109.4	L19	L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 WeakPolarHBondContact CB-O 3.19Å
22	Y	96.8	Very high	96.7	Very high	23 Å²	23	63.2 Å²	63.2	9%	0.09	36%	0.362	C	S	.	.			trans	-145	122.6	176.5	175	-114.3	0	0	0	110.1	L19 H24 I52 R55 H56 T248 H252	L19-Y22 HydrophobicContact CD1-CD2 3.91Å; L19-Y22 HydrophobicContact CD1-CG 4.47Å; Y22-H24 AromaticContact CD1-CD2 3.92Å; Y22-H24 AromaticContact CD1-CE1 3.95Å; Y22-H24 AromaticContact CD1-NE2 3.78Å; Y22-H24 AromaticContact CE1-CE1 3.84Å; Y22-H24 AromaticContact CE1-CG 3.99Å; Y22-H24 AromaticContact CE1-ND1 3.76Å; Y22-I52 HydrophobicContact CD2-CD1 3.85Å; Y22-I52 HydrophobicContact CE1-CD1 4.41Å; Y22-I52 HydrophobicContact CE2-CD1 3.53Å; Y22-I52 HydrophobicContact CG-CD1 4.42Å; Y22-R55 HydrophobicContact CD1-CB 4.22Å; Y22-R55 HydrophobicContact CD1-CG 4.48Å; Y22-R55 HydrophobicContact CE1-CB 4.35Å; Y22-H56 AromaticContact CE1-NE2 3.49Å; Y22-H56 WeakPolarHBondContact CE1-NE2 3.36Å; Y22-H56 AromaticContact CZ-NE2 3.62Å; Y22-H56 PolarHBondContact OH-NE2 3Å; Y22-T248 HydrophobicContact CE2-CG2 4.37Å; Y22-H252 AromaticContact CE2-NE2 3.5Å; Y22-H252 AromaticContact CZ-NE2 3.65Å; Y22-H252 PolarHBondContact OH-NE2 3.22Å
23	T	96.4	Very high	96.7	Very high	93 Å²	93	65 Å²	65	57%	0.571	37%	0.372	S	S	*	.			trans	-87.3	118.4	174.5	-55.7	0	0	0	0	109.7	E11 I25	E11-T23 WeakPolarHBondContact OE1-CB 3.34Å; E11-T23 PolarHBondContact OE1-N 3.18Å; E11-T23 PolarHBondContact OE1-OG1 3.31Å; E11-T23 PolarHBondContact OE2-N 3.15Å; T23-I25 PolarHBondContact O-N 3.43Å
24	H	97	Very high	96.8	Very high	83 Å²	83	65 Å²	65	38%	0.384	37%	0.369	S	S	.	.			trans	-71.2	111.5	-179.2	-77.8	-94.2	0	0	0	111.7	Y22 P28 R55 H56	Y22-H24 AromaticContact CD1-CD2 3.92Å; Y22-H24 AromaticContact CD1-CE1 3.95Å; Y22-H24 AromaticContact CD1-NE2 3.78Å; Y22-H24 AromaticContact CE1-CE1 3.84Å; Y22-H24 AromaticContact CE1-CG 3.99Å; Y22-H24 AromaticContact CE1-ND1 3.76Å; H24-P28 HydrophobicContact CB-CG 4.44Å; H24-R55 PolarHBondContact CE1-O 3.38Å; H24-H56 AromaticContact ND1-CE1 3.39Å; H24-H56 PolarHBondContact ND1-CE1 2.75Å; H24-H56 AromaticContact ND1-ND1 3.85Å
25	I	94.5	Very high	97.1	Very high	119 Å²	119	59.7 Å²	59.7	61%	0.61	34%	0.341	S	S	*	.	S	Bend	trans	-88.2	-38.4	168.6	-57.3	171.3	0	0	0	110.3	T23	T23-I25 PolarHBondContact O-N 3.43Å
26	Y	96.6	Very high	97.4	Very high	69 Å²	69	57.3 Å²	57.3	27%	0.271	32%	0.324	S	S	.	.	S	Bend	trans	-94.9	157.9	171.1	-66.2	-80.2	0	0	0	111	L30 H56 H252 L255	Y26-L30 HydrophobicContact CD1-CD2 3.86Å; Y26-L30 HydrophobicContact CG-CD2 3.96Å; Y26-H56 PolarHBondContact O-CE1 2.84Å; Y26-H252 HydrophobicContact CE2-CB 4.32Å; Y26-L255 HydrophobicContact CD2-CD2 3.58Å; Y26-L255 HydrophobicContact CD2-CG 4.42Å; Y26-L255 HydrophobicContact CE2-CD2 4.22Å; Y26-L255 HydrophobicContact CG-CD2 3.98Å
27	S	97.9	Very high	97.5	Very high	63 Å²	63	55.1 Å²	55.1	44%	0.441	31%	0.312	S	S	.	.			trans	-55.1	133.8	175.7	-166.9	0	0	0	0	111.4	D29 L30 H56	S27-D29 VanDerWaalsContact CB-OD1 3.28Å; S27-D29 WeakPolarHBondContact CB-OD1 3.5Å; S27-D29 PolarHBondContact O-N 3.1Å; S27-D29 PolarHBondContact OG-OD1 3.44Å; S27-L30 VanDerWaalsContact O-CB 3.28Å; S27-L30 WeakPolarHBondContact O-CB 3.38Å; S27-L30 PolarHBondContact O-N 3.1Å; S27-L30 VanDerWaalsContact O-N 3.07Å; S27-H56 PolarHBondContact O-ND1 3.31Å
28	P	97.9	Very high	97.6	Very high	73 Å²	73	52 Å²	52	47%	0.474	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.9	177.5	-22.8	31.4	0	0	0	114.7	H24 H56	H24-P28 HydrophobicContact CB-CG 4.44Å; P28-H56 CarbonylContact O-C 3.04Å; P28-H56 WeakPolarHBondContact O-CA 3.38Å
29	D	97.8	Very high	97.6	Very high	78 Å²	78	50.9 Å²	50.9	42%	0.417	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	14	179.3	73	-18.5	0	0	0	113.5	S27 L31 K32	S27-D29 VanDerWaalsContact CB-OD1 3.28Å; S27-D29 WeakPolarHBondContact CB-OD1 3.5Å; S27-D29 PolarHBondContact O-N 3.1Å; S27-D29 PolarHBondContact OG-OD1 3.44Å; D29-L31 PolarHBondContact O-N 2.93Å; D29-L31 VanDerWaalsContact O-N 3.16Å; D29-K32 HydrophobicContact CB-CB 4.02Å; D29-K32 HydrophobicContact CB-CD 4.25Å; D29-K32 VanDerWaalsContact O-CB 3.25Å; D29-K32 WeakPolarHBondContact O-CB 3.25Å; D29-K32 PolarHBondContact O-N 2.74Å
30	L	98.6	Very high	97.6	Very high	16 Å²	16	51 Å²	51	8%	0.084	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-38.6	-173.3	179.9	60	0	0	0	112.8	Y26 S27 H56 L255 R260	Y26-L30 HydrophobicContact CD1-CD2 3.86Å; Y26-L30 HydrophobicContact CG-CD2 3.96Å; S27-L30 VanDerWaalsContact O-CB 3.28Å; S27-L30 WeakPolarHBondContact O-CB 3.38Å; S27-L30 PolarHBondContact O-N 3.1Å; S27-L30 VanDerWaalsContact O-N 3.07Å; L30-H56 HydrophobicContact CB-CB 4.42Å; L30-L255 HydrophobicContact CD2-CD1 3.99Å; L30-L255 HydrophobicContact CD2-CD2 4.2Å; L30-L255 HydrophobicContact CD2-CG 3.92Å; L30-R260 HydrophobicContact CD1-CG 4.23Å
31	L	98.8	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	25.1	178.1	-58.5	-174.7	0	0	0	112.2	D29 D33 Q34 F53 H56 G57 C58 I114 L255	D29-L31 PolarHBondContact O-N 2.93Å; D29-L31 VanDerWaalsContact O-N 3.16Å; L31-D33 PolarHBondContact O-N 3.49Å; L31-Q34 WeakPolarHBondContact O-CB 3.28Å; L31-Q34 PolarHBondContact O-N 2.84Å; L31-Q34 VanDerWaalsContact O-N 3.08Å; L31-F53 HydrophobicContact CD1-CB 4.08Å; L31-F53 HydrophobicContact CD1-CD1 4.09Å; L31-F53 HydrophobicContact CD1-CD2 3.8Å; L31-F53 HydrophobicContact CD1-CE2 4.24Å; L31-F53 HydrophobicContact CD1-CG 3.71Å; L31-H56 CarbonylContact C-O 3.58Å; L31-H56 WeakPolarHBondContact CA-O 3.16Å; L31-H56 PolarHBondContact N-O 3.21Å; L31-G57 CarbonylContact O-C 3.58Å; L31-C58 HydrophobicContact CB-CB 3.93Å; L31-C58 HydrophobicContact CD1-CB 4.18Å; L31-I114 HydrophobicContact CD1-CD1 3.9Å; L31-I114 HydrophobicContact CD2-CD1 4.05Å; L31-L255 HydrophobicContact CD1-CD1 3.45Å; L31-L255 VanDerWaalsContact CD1-CD1 3.45Å; L31-L255 HydrophobicContact CD2-CD1 4.36Å; L31-L255 HydrophobicContact CG-CD1 3.73Å
32	K	98.4	Very high	97.9	Very high	128 Å²	128	42.4 Å²	42.4	56%	0.557	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	125.7	-176.3	179.8	176.5	177.8	-176.1	0	111.8	D29 Q34 H56	D29-K32 HydrophobicContact CB-CB 4.02Å; D29-K32 HydrophobicContact CB-CD 4.25Å; D29-K32 VanDerWaalsContact O-CB 3.25Å; D29-K32 WeakPolarHBondContact O-CB 3.25Å; D29-K32 PolarHBondContact O-N 2.74Å; K32-Q34 PolarHBondContact O-N 3.01Å; K32-H56 PolarHBondContact N-O 2.86Å
33	D	96.6	Very high	97.9	Very high	78 Å²	78	43.6 Å²	43.6	42%	0.417	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	18.6	175.7	-52.6	-38.6	0	0	0	114.8	L31 G57 R83 R111	L31-D33 PolarHBondContact O-N 3.49Å; D33-G57 PolarHBondContact N-O 3.21Å; D33-R83 IonicContact OD1-CZ 3.23Å; D33-R83 IonicContact OD1-NH1 3.05Å; D33-R83 PolarHBondContact OD1-NH1 3.23Å; D33-R83 IonicContact OD1-NH2 3.82Å; D33-R83 PolarHBondContact OD1-NH2 3Å; D33-R111 PolarHBondContact O-NH1 3.33Å; D33-R111 VanDerWaalsContact O-NH1 3.12Å
34	Q	98.9	Very high	98	Very high	47 Å²	47	39.6 Å²	39.6	22%	0.22	21%	0.214	C	C	.	.			trans	-85.7	161.9	167.2	-63	-172	24.1	0	0	111	L31 K32 C58 D59 D113	L31-Q34 WeakPolarHBondContact O-CB 3.28Å; L31-Q34 PolarHBondContact O-N 2.84Å; L31-Q34 VanDerWaalsContact O-N 3.08Å; K32-Q34 PolarHBondContact O-N 3.01Å; Q34-C58 CarbonylContact O-C 3.45Å; Q34-C58 WeakPolarHBondContact O-CA 3.17Å; Q34-C58 PolarHBondContact O-SG 3.02Å; Q34-D59 PolarHBondContact O-N 2.9Å; Q34-D113 VanDerWaalsContact CA-OD2 3.28Å; Q34-D113 WeakPolarHBondContact CA-OD2 2.86Å; Q34-D113 HydrophobicContact CB-CB 4.01Å; Q34-D113 HydrophobicContact CG-CB 4.28Å
35	V	98.9	Very high	98.1	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.2	176.9	179.8	0	0	0	0	110	D59 V61 T105 F109 R111 L112 D113 I114	V35-D59 VanDerWaalsContact CA-O 3.32Å; V35-D59 WeakPolarHBondContact CA-O 3.4Å; V35-D59 HydrophobicContact CG2-CB 4.4Å; V35-V61 HydrophobicContact CG1-CG2 4.42Å; V35-T105 HydrophobicContact CG1-CG2 4.19Å; V35-F109 HydrophobicContact CG1-CB 4.23Å; V35-F109 HydrophobicContact CG1-CD2 4.09Å; V35-F109 HydrophobicContact CG1-CG 4.06Å; V35-F109 HydrophobicContact CG2-CB 3.62Å; V35-F109 HydrophobicContact CG2-CD1 4.04Å; V35-F109 HydrophobicContact CG2-CG 3.9Å; V35-R111 HydrophobicContact CB-CG 4.21Å; V35-R111 HydrophobicContact CG2-CG 3.54Å; V35-L112 HydrophobicContact CG1-CD1 4.29Å; V35-D113 PolarHBondContact N-OD2 2.94Å; V35-D113 PolarHBondContact O-N 2.97Å; V35-I114 PolarHBondContact O-N 3.12Å
36	A	98.9	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.4	177.2	0	0	0	0	0	112.3	I38 F53 D59 T60 V61 I114	A36-I38 HydrophobicContact CB-CD1 4.32Å; A36-I38 HydrophobicContact CB-CG1 4.25Å; A36-F53 HydrophobicContact CB-CD2 3.73Å; A36-F53 HydrophobicContact CB-CE2 4.2Å; A36-D59 PolarHBondContact N-O 3.48Å; A36-T60 HydrophobicContact CB-CG2 4.4Å; A36-T60 CarbonylContact O-C 3.58Å; A36-T60 WeakPolarHBondContact O-CA 3.28Å; A36-V61 PolarHBondContact O-N 2.83Å; A36-I114 CarbonylContact C-O 3.35Å; A36-I114 VanDerWaalsContact CA-O 3.3Å; A36-I114 WeakPolarHBondContact CA-O 3.34Å; A36-I114 HydrophobicContact CB-CB 3.91Å; A36-I114 HydrophobicContact CB-CD1 4.39Å; A36-I114 HydrophobicContact CB-CG2 4.37Å
37	F	98.9	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.2	171.1	-166.5	-73	0	0	0	110	T39 V61 A63 L88 I90 A101 V102 T105 L112 I114 L115 I116 T149	F37-T39 HydrophobicContact CD1-CG2 4.34Å; F37-T39 HydrophobicContact CE1-CG2 4.02Å; F37-V61 HydrophobicContact CD2-CB 3.86Å; F37-V61 HydrophobicContact CD2-CG1 3.73Å; F37-V61 HydrophobicContact CD2-CG2 4.46Å; F37-V61 HydrophobicContact CE2-CB 4.4Å; F37-V61 HydrophobicContact CE2-CG1 3.75Å; F37-V61 HydrophobicContact CG-CB 4.34Å; F37-V61 HydrophobicContact CG-CG1 4.49Å; F37-A63 HydrophobicContact CE1-CB 3.62Å; F37-A63 HydrophobicContact CZ-CB 3.59Å; F37-L88 HydrophobicContact CE2-CD1 4.4Å; F37-I90 HydrophobicContact CE1-CD1 4.21Å; F37-I90 HydrophobicContact CZ-CD1 4.35Å; F37-A101 HydrophobicContact CE2-CB 4.16Å; F37-A101 HydrophobicContact CZ-CB 4.08Å; F37-V102 HydrophobicContact CE2-CG2 4.38Å; F37-T105 HydrophobicContact CD2-CG2 4.43Å; F37-T105 WeakPolarHBondContact CD2-OG1 3.25Å; F37-L112 HydrophobicContact CB-CD1 3.62Å; F37-L112 HydrophobicContact CB-CD2 4.27Å; F37-I114 PolarHBondContact N-O 3.32Å; F37-L115 HydrophobicContact CB-CD1 4.49Å; F37-L115 HydrophobicContact CD1-CD1 4.11Å; F37-L115 WeakPolarHBondContact O-CA 3.36Å; F37-I116 PolarHBondContact O-N 3.39Å; F37-T149 HydrophobicContact CE1-CG2 4.43Å
38	I	98.9	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	106.2	-168.1	-53.7	173.6	0	0	0	109.8	A36 G41 I49 A50 T60 V61 I62 A63 I116	A36-I38 HydrophobicContact CB-CD1 4.32Å; A36-I38 HydrophobicContact CB-CG1 4.25Å; I38-G41 PolarHBondContact O-N 3.26Å; I38-I49 HydrophobicContact CD1-CG2 4.2Å; I38-A50 VanDerWaalsContact CD1-CA 3.5Å; I38-A50 HydrophobicContact CD1-CB 3.6Å; I38-T60 HydrophobicContact CD1-CG2 4.07Å; I38-V61 PolarHBondContact N-O 2.88Å; I38-I62 HydrophobicContact CB-CG2 4.5Å; I38-A63 PolarHBondContact O-N 3.43Å; I38-I116 HydrophobicContact CB-CB 4.3Å; I38-I116 HydrophobicContact CG1-CB 4.05Å; I38-I116 HydrophobicContact CG1-CG1 3.93Å; I38-I116 HydrophobicContact CG2-CB 4.05Å; I38-I116 HydrophobicContact CG2-CG2 4.24Å
39	T	98.9	Very high	98.5	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.6	174.2	68	0	0	0	0	110.4	F37 G41 A63 I90 V92 I116 N117 N118 A119 T149	F37-T39 HydrophobicContact CD1-CG2 4.34Å; F37-T39 HydrophobicContact CE1-CG2 4.02Å; T39-G41 PolarHBondContact O-N 3.17Å; T39-A63 CarbonylContact C-O 3.53Å; T39-A63 WeakPolarHBondContact CA-O 3.19Å; T39-I90 HydrophobicContact CG2-CD1 4.12Å; T39-V92 HydrophobicContact CG2-CG1 4.04Å; T39-I116 PolarHBondContact N-O 3.28Å; T39-I116 PolarHBondContact OG1-O 2.66Å; T39-N117 WeakPolarHBondContact OG1-CA 3.4Å; T39-N118 CarbonylContact O-C 3.58Å; T39-N118 WeakPolarHBondContact O-CB 3.27Å; T39-N118 PolarHBondContact O-ND2 2.87Å; T39-N118 PolarHBondContact OG1-N 2.92Å; T39-A119 PolarHBondContact O-N 3.24Å; T39-A119 PolarHBondContact OG1-N 3.04Å; T39-A119 VanDerWaalsContact OG1-N 3.11Å; T39-T149 HydrophobicContact CG2-CG2 3.83Å
40	G	98.3	Very high	98.5	Very high	12 Å²	12	17.9 Å²	17.9	12%	0.124	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	19.8	-172.7	0	0	0	0	0	114	G42 A63 N118	G40-G42 PolarHBondContact O-N 3.5Å; G40-G42 VanDerWaalsContact O-N 3.11Å; G40-A63 PolarHBondContact N-O 2.96Å; G40-N118 PolarHBondContact O-ND2 3.18Å
41	G	98.3	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-0.2	-178.6	0	0	0	0	0	116	I38 T39 L47	I38-G41 PolarHBondContact O-N 3.26Å; T39-G41 PolarHBondContact O-N 3.17Å; G41-L47 VanDerWaalsContact O-CA 3.29Å; G41-L47 WeakPolarHBondContact O-CA 3.44Å
42	G	97.9	Very high	98.5	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1	179.3	0	0	0	0	0	115.2	G40 K69	G40-G42 PolarHBondContact O-N 3.5Å; G40-G42 VanDerWaalsContact O-N 3.11Å; G42-K69 VanDerWaalsContact O-CE 3.24Å; G42-K69 WeakPolarHBondContact O-CE 3.37Å
43	S	97.9	Very high	98.6	Very high	47 Å²	47	11.1 Å²	11.1	33%	0.329	7%	0.067	S	C	.	.	S	Bend	trans	-161.7	161	-179.8	60.1	0	0	0	0	114.1	D16 G46 L47	D16-S43 WeakPolarHBondContact OD1-CA 3.45Å; D16-S43 WeakPolarHBondContact OD2-CB 3.23Å; S43-G46 PolarHBondContact O-N 2.67Å; S43-L47 PolarHBondContact O-N 3.12Å
44	G	97.7	Very high	98.7	Very high	10 Å²	10	7.5 Å²	7.5	10%	0.103	5%	0.048	C	C	.	.	H	α-helix	trans	56.4	-136	170.5	0	0	0	0	0	112.5	D16 G46 L47 R48	D16-G44 PolarHBondContact OD1-N 3.24Å; G44-G46 VanDerWaalsContact C-N 3.3Å; G44-G46 PolarHBondContact O-N 3.37Å; G44-L47 PolarHBondContact O-N 3.09Å; G44-R48 PolarHBondContact O-N 3.05Å
45	I	98.6	Very high	98.7	Very high	24 Å²	24	7.4 Å²	7.4	12%	0.123	5%	0.046	C	C	.	.	H	α-helix	trans	-57.9	-43.1	-179	-63.7	172.4	0	0	0	111	L47 R48 I49 P213 I216 T219 K247 M250	I45-L47 VanDerWaalsContact C-N 3.34Å; I45-L47 PolarHBondContact O-N 3.21Å; I45-R48 PolarHBondContact O-N 3.18Å; I45-I49 HydrophobicContact CG2-CD1 3.67Å; I45-I49 HydrophobicContact CG2-CG1 4.17Å; I45-I49 VanDerWaalsContact O-CG1 3.3Å; I45-I49 WeakPolarHBondContact O-CG1 3.35Å; I45-I49 PolarHBondContact O-N 3.24Å; I45-P213 HydrophobicContact CD1-CB 4.31Å; I45-P213 HydrophobicContact CD1-CG 4.15Å; I45-I216 HydrophobicContact CD1-CB 4.28Å; I45-I216 HydrophobicContact CD1-CG1 4.03Å; I45-I216 HydrophobicContact CD1-CG2 4.39Å; I45-I216 HydrophobicContact CG1-CG2 4.28Å; I45-T219 HydrophobicContact CD1-CG2 4.42Å; I45-T219 HydrophobicContact CG1-CG2 3.9Å; I45-K247 HydrophobicContact CG1-CG 4.4Å; I45-M250 HydrophobicContact CD1-CG 4.32Å; I45-M250 HydrophobicContact CG2-CB 3.97Å
46	G	98.7	Very high	98.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.6	-40.1	179.5	0	0	0	0	0	113.6	S43 G44 I49 A50 N118	S43-G46 PolarHBondContact O-N 2.67Å; G44-G46 VanDerWaalsContact C-N 3.3Å; G44-G46 PolarHBondContact O-N 3.37Å; G46-I49 PolarHBondContact O-N 3.06Å; G46-A50 PolarHBondContact O-N 3.18Å; G46-N118 WeakPolarHBondContact CA-ND2 3.25Å; G46-N118 PolarHBondContact N-OD1 2.75Å
47	L	98.8	Very high	98.6	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-63.4	-47.4	175.6	-175.8	87	0	0	0	111.2	D16 G41 S43 G44 I45 I49 A50 E51 A73 L77	D16-L47 VanDerWaalsContact CA-CD2 3.48Å; D16-L47 HydrophobicContact CB-CD2 3.88Å; D16-L47 WeakPolarHBondContact O-CD2 3.24Å; G41-L47 VanDerWaalsContact O-CA 3.29Å; G41-L47 WeakPolarHBondContact O-CA 3.44Å; S43-L47 PolarHBondContact O-N 3.12Å; G44-L47 PolarHBondContact O-N 3.09Å; I45-L47 VanDerWaalsContact C-N 3.34Å; I45-L47 PolarHBondContact O-N 3.21Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I49 PolarHBondContact O-N 3.21Å; L47-A50 WeakPolarHBondContact O-CB 3.25Å; L47-A50 PolarHBondContact O-N 3.41Å; L47-E51 PolarHBondContact O-N 3.45Å; L47-A73 HydrophobicContact CD1-CB 3.56Å; L47-L77 HydrophobicContact CD1-CD1 4.11Å; L47-L77 HydrophobicContact CD1-CD2 4.5Å; L47-L77 HydrophobicContact CD1-CG 4.3Å
48	R	98.9	Very high	98.6	Very high	1 Å²	1	7.8 Å²	7.8	0%	0.004	5%	0.05	C	C	.	.	H	α-helix	trans	-67.1	-35.8	179.8	-173.1	66.3	75.8	-129.9	-8.5	111.8	D12 D17 G44 I45 A50 E51 I52 K247 T248 A251	D12-R48 IonicContact OD1-CZ 3.22Å; D12-R48 VanDerWaalsContact OD1-CZ 3.3Å; D12-R48 IonicContact OD1-NE 3.73Å; D12-R48 PolarHBondContact OD1-NE 3.17Å; D12-R48 VanDerWaalsContact OD1-NE 3.09Å; D12-R48 IonicContact OD1-NH2 3.41Å; D12-R48 PolarHBondContact OD1-NH2 3.21Å; D17-R48 PolarHBondContact O-NH1 2.79Å; D17-R48 PolarHBondContact O-NH2 3.07Å; G44-R48 PolarHBondContact O-N 3.05Å; I45-R48 PolarHBondContact O-N 3.18Å; R48-A50 VanDerWaalsContact C-N 3.34Å; R48-E51 IonicContact CZ-OE2 3.69Å; R48-E51 IonicContact NH1-OE1 3.25Å; R48-E51 IonicContact NH1-OE2 2.68Å; R48-E51 PolarHBondContact NH1-OE2 3.17Å; R48-E51 PolarHBondContact O-N 2.94Å; R48-I52 HydrophobicContact CG-CG1 4.17Å; R48-I52 WeakPolarHBondContact O-CB 3.47Å; R48-I52 VanDerWaalsContact O-CG1 3.3Å; R48-I52 WeakPolarHBondContact O-CG1 3.43Å; R48-I52 PolarHBondContact O-N 3.16Å; R48-K247 HydrophobicContact CB-CB 3.69Å; R48-K247 HydrophobicContact CG-CB 3.88Å; R48-T248 WeakPolarHBondContact CD-OG1 3.11Å; R48-T248 PolarHBondContact NE-OG1 3.42Å; R48-A251 HydrophobicContact CB-CB 4.49Å; R48-A251 HydrophobicContact CG-CB 3.89Å
49	I	98.9	Very high	98.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57.8	-49.4	171.2	-70.8	169.1	0	0	0	109.9	I38 I45 G46 L47 E51 I52 F53 I116 V168 A251 A254	I38-I49 HydrophobicContact CD1-CG2 4.2Å; I45-I49 HydrophobicContact CG2-CD1 3.67Å; I45-I49 HydrophobicContact CG2-CG1 4.17Å; I45-I49 VanDerWaalsContact O-CG1 3.3Å; I45-I49 WeakPolarHBondContact O-CG1 3.35Å; I45-I49 PolarHBondContact O-N 3.24Å; G46-I49 PolarHBondContact O-N 3.06Å; L47-I49 VanDerWaalsContact C-N 3.33Å; L47-I49 PolarHBondContact O-N 3.21Å; I49-E51 PolarHBondContact O-N 2.99Å; I49-I52 PolarHBondContact O-N 3.48Å; I49-F53 HydrophobicContact CG2-CD1 4.07Å; I49-F53 HydrophobicContact CG2-CD2 4.43Å; I49-F53 HydrophobicContact CG2-CE1 3.78Å; I49-F53 HydrophobicContact CG2-CE2 4.17Å; I49-F53 HydrophobicContact CG2-CG 4.39Å; I49-F53 HydrophobicContact CG2-CZ 3.85Å; I49-F53 WeakPolarHBondContact O-CB 3.42Å; I49-F53 VanDerWaalsContact O-CD1 3.25Å; I49-F53 WeakPolarHBondContact O-CD1 3.45Å; I49-F53 WeakPolarHBondContact O-CG 3.41Å; I49-F53 PolarHBondContact O-N 3.48Å; I49-I116 HydrophobicContact CD1-CG2 4.05Å; I49-I116 HydrophobicContact CG2-CG1 4.09Å; I49-I116 HydrophobicContact CG2-CG2 4.35Å; I49-V168 HydrophobicContact CD1-CG2 4.37Å; I49-A251 HydrophobicContact CG1-CB 4.1Å; I49-A254 HydrophobicContact CD1-CB 3.93Å; I49-A254 HydrophobicContact CG1-CB 3.98Å; I49-A254 HydrophobicContact CG2-CB 4.36Å
50	A	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.8	-49.1	178.5	0	0	0	0	0	111.4	I38 G46 L47 R48 I52 F53 M54 T60 I62 L77	I38-A50 VanDerWaalsContact CD1-CA 3.5Å; I38-A50 HydrophobicContact CD1-CB 3.6Å; G46-A50 PolarHBondContact O-N 3.18Å; L47-A50 WeakPolarHBondContact O-CB 3.25Å; L47-A50 PolarHBondContact O-N 3.41Å; R48-A50 VanDerWaalsContact C-N 3.34Å; A50-I52 PolarHBondContact O-N 3.18Å; A50-F53 PolarHBondContact O-N 2.86Å; A50-M54 VanDerWaalsContact O-CG 3.23Å; A50-M54 WeakPolarHBondContact O-CG 3.43Å; A50-M54 PolarHBondContact O-N 3.43Å; A50-T60 HydrophobicContact CB-CG2 4.4Å; A50-I62 HydrophobicContact CB-CG2 3.95Å; A50-L77 HydrophobicContact CB-CD1 3.94Å; A50-L77 HydrophobicContact CB-CD2 4.23Å
51	E	98.9	Very high	98.7	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-59.8	-50.3	179.2	-174.6	-175.9	161.4	0	0	112.8	C18 L19 L47 R48 I49 F53 M54 R55 L77	C18-E51 VanDerWaalsContact CA-OE2 3.23Å; C18-E51 WeakPolarHBondContact CA-OE2 3.15Å; L19-E51 WeakPolarHBondContact CB-OE1 3.16Å; L19-E51 WeakPolarHBondContact CG-OE1 3.49Å; L19-E51 PolarHBondContact N-OE1 2.87Å; L19-E51 PolarHBondContact N-OE2 2.92Å; L47-E51 PolarHBondContact O-N 3.45Å; R48-E51 IonicContact CZ-OE2 3.69Å; R48-E51 IonicContact NH1-OE1 3.25Å; R48-E51 IonicContact NH1-OE2 2.68Å; R48-E51 PolarHBondContact NH1-OE2 3.17Å; R48-E51 PolarHBondContact O-N 2.94Å; I49-E51 PolarHBondContact O-N 2.99Å; E51-F53 VanDerWaalsContact C-N 3.3Å; E51-F53 PolarHBondContact O-N 3.09Å; E51-M54 PolarHBondContact O-N 3.08Å; E51-R55 HydrophobicContact CG-CG 4.45Å; E51-R55 WeakPolarHBondContact O-CG 3.5Å; E51-R55 PolarHBondContact O-N 3.46Å; E51-R55 IonicContact OE1-CZ 3.32Å; E51-R55 VanDerWaalsContact OE1-CZ 3.25Å; E51-R55 IonicContact OE1-NE 3.28Å; E51-R55 PolarHBondContact OE1-NE 2.74Å; E51-R55 IonicContact OE1-NH2 2.89Å; E51-R55 PolarHBondContact OE1-NH2 2.8Å; E51-L77 VanDerWaalsContact CA-CD2 3.46Å; E51-L77 HydrophobicContact CB-CD2 3.49Å; E51-L77 VanDerWaalsContact CB-CD2 3.49Å; E51-L77 HydrophobicContact CG-CD2 4.2Å
52	I	98.9	Very high	98.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.3	-42.4	-178.7	-67.5	-53.8	0	0	0	109.7	L19 Y22 R48 I49 A50 M54 R55 H56 T248 A251 L255	L19-I52 HydrophobicContact CD1-CD1 4.1Å; Y22-I52 HydrophobicContact CD2-CD1 3.85Å; Y22-I52 HydrophobicContact CE1-CD1 4.41Å; Y22-I52 HydrophobicContact CE2-CD1 3.53Å; Y22-I52 HydrophobicContact CG-CD1 4.42Å; R48-I52 HydrophobicContact CG-CG1 4.17Å; R48-I52 WeakPolarHBondContact O-CB 3.47Å; R48-I52 VanDerWaalsContact O-CG1 3.3Å; R48-I52 WeakPolarHBondContact O-CG1 3.43Å; R48-I52 PolarHBondContact O-N 3.16Å; I49-I52 PolarHBondContact O-N 3.48Å; A50-I52 PolarHBondContact O-N 3.18Å; I52-M54 VanDerWaalsContact C-N 3.3Å; I52-M54 PolarHBondContact O-N 3.17Å; I52-R55 PolarHBondContact O-N 3.23Å; I52-H56 PolarHBondContact O-CD2 3.46Å; I52-H56 PolarHBondContact O-N 3.01Å; I52-H56 VanDerWaalsContact O-N 3.08Å; I52-T248 HydrophobicContact CD1-CG2 4.15Å; I52-T248 HydrophobicContact CG1-CG2 4.47Å; I52-A251 HydrophobicContact CB-CB 3.87Å; I52-A251 HydrophobicContact CG1-CB 3.6Å; I52-A251 HydrophobicContact CG2-CB 4.29Å; I52-L255 HydrophobicContact CG2-CD2 3.95Å
53	F	98.9	Very high	98.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.9	-42.4	176.6	-79.4	27	0	0	0	111.6	L31 A36 I49 A50 E51 H56 G57 C58 T60 I114 I116 A254 L255 A258	L31-F53 HydrophobicContact CD1-CB 4.08Å; L31-F53 HydrophobicContact CD1-CD1 4.09Å; L31-F53 HydrophobicContact CD1-CD2 3.8Å; L31-F53 HydrophobicContact CD1-CE2 4.24Å; L31-F53 HydrophobicContact CD1-CG 3.71Å; A36-F53 HydrophobicContact CB-CD2 3.73Å; A36-F53 HydrophobicContact CB-CE2 4.2Å; I49-F53 HydrophobicContact CG2-CD1 4.07Å; I49-F53 HydrophobicContact CG2-CD2 4.43Å; I49-F53 HydrophobicContact CG2-CE1 3.78Å; I49-F53 HydrophobicContact CG2-CE2 4.17Å; I49-F53 HydrophobicContact CG2-CG 4.39Å; I49-F53 HydrophobicContact CG2-CZ 3.85Å; I49-F53 WeakPolarHBondContact O-CB 3.42Å; I49-F53 VanDerWaalsContact O-CD1 3.25Å; I49-F53 WeakPolarHBondContact O-CD1 3.45Å; I49-F53 WeakPolarHBondContact O-CG 3.41Å; I49-F53 PolarHBondContact O-N 3.48Å; A50-F53 PolarHBondContact O-N 2.86Å; E51-F53 VanDerWaalsContact C-N 3.3Å; E51-F53 PolarHBondContact O-N 3.09Å; F53-H56 CarbonylContact O-C 3.49Å; F53-H56 WeakPolarHBondContact O-CA 3.38Å; F53-H56 PolarHBondContact O-N 3.08Å; F53-G57 PolarHBondContact O-N 2.86Å; F53-C58 HydrophobicContact CB-CB 3.93Å; F53-C58 WeakPolarHBondContact O-CB 3.28Å; F53-C58 PolarHBondContact O-N 2.9Å; F53-C58 VanDerWaalsContact O-N 3.08Å; F53-T60 HydrophobicContact CB-CG2 4.46Å; F53-I114 HydrophobicContact CD2-CD1 4.35Å; F53-I114 HydrophobicContact CE2-CD1 4.13Å; F53-I114 HydrophobicContact CE2-CG2 3.92Å; F53-I116 HydrophobicContact CE2-CD1 3.85Å; F53-I116 HydrophobicContact CE2-CG1 4.01Å; F53-I116 HydrophobicContact CZ-CD1 3.88Å; F53-I116 HydrophobicContact CZ-CG1 4.38Å; F53-A254 HydrophobicContact CE1-CB 4.29Å; F53-A254 HydrophobicContact CZ-CB 4.33Å; F53-L255 HydrophobicContact CD1-CB 4.32Å; F53-L255 HydrophobicContact CD1-CD1 4.02Å; F53-L255 VanDerWaalsContact CE1-CA 3.49Å; F53-L255 HydrophobicContact CE1-CB 3.84Å; F53-L255 HydrophobicContact CE1-CD1 4.1Å; F53-A258 HydrophobicContact CE1-CB 4.45Å; F53-A258 HydrophobicContact CE2-CB 3.89Å; F53-A258 HydrophobicContact CZ-CB 3.53Å
54	M	98.9	Very high	98.8	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-65.7	-39.2	176.9	-66.8	171.3	84.3	0	0	112.8	A50 E51 I52 H56 G57 C58 T60 L77 S81 R83 C85	A50-M54 VanDerWaalsContact O-CG 3.23Å; A50-M54 WeakPolarHBondContact O-CG 3.43Å; A50-M54 PolarHBondContact O-N 3.43Å; E51-M54 PolarHBondContact O-N 3.08Å; I52-M54 VanDerWaalsContact C-N 3.3Å; I52-M54 PolarHBondContact O-N 3.17Å; M54-H56 PolarHBondContact O-N 2.93Å; M54-G57 PolarHBondContact O-N 2.77Å; M54-C58 VanDerWaalsContact CA-O 3.32Å; M54-C58 WeakPolarHBondContact CA-O 3.16Å; M54-C58 WeakPolarHBondContact CG-O 3.4Å; M54-T60 HydrophobicContact CG-CG2 3.54Å; M54-T60 HydrophobicContact SD-CG2 4.13Å; M54-T60 PolarHBondContact SD-OG1 3.11Å; M54-L77 HydrophobicContact CE-CB 4.13Å; M54-L77 HydrophobicContact SD-CB 3.68Å; M54-L77 HydrophobicContact SD-CD1 4.5Å; M54-L77 HydrophobicContact SD-CD2 4.23Å; M54-L77 HydrophobicContact SD-CG 4.37Å; M54-S81 WeakPolarHBondContact CB-OG 3.38Å; M54-S81 WeakPolarHBondContact CE-OG 3.43Å; M54-R83 HydrophobicContact CB-CB 4.07Å; M54-R83 HydrophobicContact CB-CG 4.3Å; M54-R83 HydrophobicContact CE-CB 3.79Å; M54-R83 VanDerWaalsContact CE-O 3.32Å; M54-R83 WeakPolarHBondContact CE-O 3.4Å; M54-R83 HydrophobicContact CG-CB 4.2Å; M54-R83 VanDerWaalsContact O-CG 3.3Å; M54-R83 WeakPolarHBondContact O-CG 3.31Å; M54-C85 HydrophobicContact CE-CB 3.69Å; M54-C85 HydrophobicContact SD-CB 4.17Å
55	R	98.6	Very high	98.8	Very high	46 Å²	46	12.9 Å²	12.9	17%	0.174	6%	0.059	C	C	.	.	H	α-helix	trans	-61.1	-23.2	171.2	-69.1	-179.8	-177.1	-77.4	1.3	112.4	L19 Y22 H24 E51 I52	L19-R55 PolarHBondContact O-NH2 2.89Å; Y22-R55 HydrophobicContact CD1-CB 4.22Å; Y22-R55 HydrophobicContact CD1-CG 4.48Å; Y22-R55 HydrophobicContact CE1-CB 4.35Å; H24-R55 PolarHBondContact CE1-O 3.38Å; E51-R55 HydrophobicContact CG-CG 4.45Å; E51-R55 WeakPolarHBondContact O-CG 3.5Å; E51-R55 PolarHBondContact O-N 3.46Å; E51-R55 IonicContact OE1-CZ 3.32Å; E51-R55 VanDerWaalsContact OE1-CZ 3.25Å; E51-R55 IonicContact OE1-NE 3.28Å; E51-R55 PolarHBondContact OE1-NE 2.74Å; E51-R55 IonicContact OE1-NH2 2.89Å; E51-R55 PolarHBondContact OE1-NH2 2.8Å; I52-R55 PolarHBondContact O-N 3.23Å
56	H	98.8	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	20.9	175.1	-69.3	-75.7	0	0	0	114.1	Y22 H24 Y26 S27 P28 L30 L31 K32 I52 F53 M54 L255	Y22-H56 AromaticContact CE1-NE2 3.49Å; Y22-H56 WeakPolarHBondContact CE1-NE2 3.36Å; Y22-H56 AromaticContact CZ-NE2 3.62Å; Y22-H56 PolarHBondContact OH-NE2 3Å; H24-H56 AromaticContact ND1-CE1 3.39Å; H24-H56 PolarHBondContact ND1-CE1 2.75Å; H24-H56 AromaticContact ND1-ND1 3.85Å; Y26-H56 PolarHBondContact O-CE1 2.84Å; S27-H56 PolarHBondContact O-ND1 3.31Å; P28-H56 CarbonylContact O-C 3.04Å; P28-H56 WeakPolarHBondContact O-CA 3.38Å; L30-H56 HydrophobicContact CB-CB 4.42Å; L31-H56 CarbonylContact C-O 3.58Å; L31-H56 WeakPolarHBondContact CA-O 3.16Å; L31-H56 PolarHBondContact N-O 3.21Å; K32-H56 PolarHBondContact N-O 2.86Å; I52-H56 PolarHBondContact O-CD2 3.46Å; I52-H56 PolarHBondContact O-N 3.01Å; I52-H56 VanDerWaalsContact O-N 3.08Å; F53-H56 CarbonylContact O-C 3.49Å; F53-H56 WeakPolarHBondContact O-CA 3.38Å; F53-H56 PolarHBondContact O-N 3.08Å; M54-H56 PolarHBondContact O-N 2.93Å; H56-L255 HydrophobicContact CB-CD1 4.34Å; H56-L255 WeakPolarHBondContact CD2-CD2 3.32Å
57	G	98.5	Very high	98.7	Very high	11 Å²	11	18.4 Å²	18.4	11%	0.113	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	8.4	169.7	0	0	0	0	0	115.8	L31 D33 F53 M54	L31-G57 CarbonylContact O-C 3.58Å; D33-G57 PolarHBondContact N-O 3.21Å; F53-G57 PolarHBondContact O-N 2.86Å; M54-G57 PolarHBondContact O-N 2.77Å
58	C	98.8	Very high	98.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.			trans	-84.5	140.1	179.1	-160.8	0	0	0	0	111.3	L31 Q34 F53 M54 R83	L31-C58 HydrophobicContact CB-CB 3.93Å; L31-C58 HydrophobicContact CD1-CB 4.18Å; Q34-C58 CarbonylContact O-C 3.45Å; Q34-C58 WeakPolarHBondContact O-CA 3.17Å; Q34-C58 PolarHBondContact O-SG 3.02Å; F53-C58 HydrophobicContact CB-CB 3.93Å; F53-C58 WeakPolarHBondContact O-CB 3.28Å; F53-C58 PolarHBondContact O-N 2.9Å; F53-C58 VanDerWaalsContact O-N 3.08Å; M54-C58 VanDerWaalsContact CA-O 3.32Å; M54-C58 WeakPolarHBondContact CA-O 3.16Å; M54-C58 WeakPolarHBondContact CG-O 3.4Å; C58-R83 WeakPolarHBondContact O-CB 3.15Å
59	D	98.9	Very high	98.6	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.043	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	151.1	157.9	-70.3	-22.8	0	0	0	109.2	Q34 V35 A36 R83 R84 F109	Q34-D59 PolarHBondContact O-N 2.9Å; V35-D59 VanDerWaalsContact CA-O 3.32Å; V35-D59 WeakPolarHBondContact CA-O 3.4Å; V35-D59 HydrophobicContact CG2-CB 4.4Å; A36-D59 PolarHBondContact N-O 3.48Å; D59-R83 VanDerWaalsContact CG-NH2 3.33Å; D59-R83 IonicContact OD1-CZ 2.78Å; D59-R83 IonicContact OD1-NE 3.39Å; D59-R83 PolarHBondContact OD1-NE 3.05Å; D59-R83 IonicContact OD1-NH2 3.37Å; D59-R83 PolarHBondContact OD1-NH2 3.3Å; D59-R83 IonicContact OD2-NH2 2.83Å; D59-R83 PolarHBondContact OD2-NH2 3.06Å; D59-R84 HydrophobicContact CB-CB 4.42Å; D59-R84 PolarHBondContact OD1-N 3.27Å; D59-R84 IonicContact OD2-CZ 3.28Å; D59-R84 IonicContact OD2-NE 2.73Å; D59-R84 PolarHBondContact OD2-NE 2.9Å; D59-R84 VanDerWaalsContact OD2-NE 3.12Å; D59-R84 IonicContact OD2-NH2 2.89Å; D59-R84 PolarHBondContact OD2-NH2 3.38Å; D59-F109 HydrophobicContact CB-CD1 3.9Å; D59-F109 HydrophobicContact CB-CE1 3.57Å; D59-F109 HydrophobicContact CB-CZ 4.37Å
60	T	98.9	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.2	-175.5	58.9	0	0	0	0	113.1	A36 I38 A50 F53 M54 R84 C85 L86	A36-T60 HydrophobicContact CB-CG2 4.4Å; A36-T60 CarbonylContact O-C 3.58Å; A36-T60 WeakPolarHBondContact O-CA 3.28Å; I38-T60 HydrophobicContact CD1-CG2 4.07Å; A50-T60 HydrophobicContact CB-CG2 4.4Å; F53-T60 HydrophobicContact CB-CG2 4.46Å; M54-T60 HydrophobicContact CG-CG2 3.54Å; M54-T60 HydrophobicContact SD-CG2 4.13Å; M54-T60 PolarHBondContact SD-OG1 3.11Å; T60-R84 PolarHBondContact N-O 2.84Å; T60-C85 CarbonylContact O-C 3.13Å; T60-C85 VanDerWaalsContact O-CA 3.24Å; T60-C85 WeakPolarHBondContact O-CA 3.3Å; T60-C85 PolarHBondContact OG1-SG 2.88Å; T60-L86 PolarHBondContact O-N 2.89Å
61	V	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.5	162.7	-175.4	0	0	0	0	107.5	V35 A36 F37 I38 L86 L88 T105 F109	V35-V61 HydrophobicContact CG1-CG2 4.42Å; A36-V61 PolarHBondContact O-N 2.83Å; F37-V61 HydrophobicContact CD2-CB 3.86Å; F37-V61 HydrophobicContact CD2-CG1 3.73Å; F37-V61 HydrophobicContact CD2-CG2 4.46Å; F37-V61 HydrophobicContact CE2-CB 4.4Å; F37-V61 HydrophobicContact CE2-CG1 3.75Å; F37-V61 HydrophobicContact CG-CB 4.34Å; F37-V61 HydrophobicContact CG-CG1 4.49Å; I38-V61 PolarHBondContact N-O 2.88Å; V61-L86 CarbonylContact C-O 3.46Å; V61-L86 VanDerWaalsContact CA-O 3.31Å; V61-L86 WeakPolarHBondContact CA-O 3.37Å; V61-L86 HydrophobicContact CG1-CB 4.44Å; V61-L86 HydrophobicContact CG1-CD2 4.46Å; V61-L86 WeakPolarHBondContact CG1-O 3.13Å; V61-L86 HydrophobicContact CG2-CB 4.16Å; V61-L86 HydrophobicContact CG2-CD2 4.3Å; V61-L88 HydrophobicContact CG1-CB 4.44Å; V61-L88 HydrophobicContact CG1-CD1 3.52Å; V61-L88 HydrophobicContact CG1-CG 3.85Å; V61-T105 HydrophobicContact CG2-CG2 3.6Å; V61-F109 HydrophobicContact CG2-CD2 4.09Å; V61-F109 HydrophobicContact CG2-CE2 3.66Å
62	I	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.4	175.4	58.8	172.8	0	0	0	109.6	I38 A50 L70 A73 A74 L77 L86 P87 L88	I38-I62 HydrophobicContact CB-CG2 4.5Å; A50-I62 HydrophobicContact CB-CG2 3.95Å; I62-L70 HydrophobicContact CB-CD2 4.05Å; I62-L70 HydrophobicContact CD1-CB 4.35Å; I62-L70 HydrophobicContact CD1-CD2 3.94Å; I62-L70 WeakPolarHBondContact CD1-O 3.24Å; I62-L70 HydrophobicContact CG1-CB 4.47Å; I62-L70 HydrophobicContact CG1-CD2 3.86Å; I62-A73 HydrophobicContact CD1-CB 3.74Å; I62-A74 HydrophobicContact CD1-CB 4.21Å; I62-L77 HydrophobicContact CD1-CD1 4.08Å; I62-L77 HydrophobicContact CG2-CD1 4.37Å; I62-L86 PolarHBondContact N-O 3.35Å; I62-P87 HydrophobicContact CG1-CB 4.33Å; I62-P87 WeakPolarHBondContact O-CA 3.32Å; I62-L88 PolarHBondContact O-N 3.45Å
63	A	98.8	Very high	98.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.2	-169	0	0	0	0	0	112.7	F37 I38 T39 G40 L88 I90	F37-A63 HydrophobicContact CE1-CB 3.62Å; F37-A63 HydrophobicContact CZ-CB 3.59Å; I38-A63 PolarHBondContact O-N 3.43Å; T39-A63 CarbonylContact C-O 3.53Å; T39-A63 WeakPolarHBondContact CA-O 3.19Å; G40-A63 PolarHBondContact N-O 2.96Å; A63-L88 VanDerWaalsContact CA-O 3.26Å; A63-L88 WeakPolarHBondContact CA-O 3.12Å; A63-L88 HydrophobicContact CB-CB 4.47Å; A63-I90 HydrophobicContact CB-CD1 3.48Å; A63-I90 VanDerWaalsContact CB-CD1 3.48Å; A63-I90 HydrophobicContact CB-CG1 3.72Å; A63-I90 HydrophobicContact CB-CG2 4.28Å
64	S	98.6	Very high	98.6	Very high	27 Å²	27	38.1 Å²	38.1	19%	0.189	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	-178.6	177.1	88	0	0	0	0	111.6	L70 L88 R89 I90	S64-L70 VanDerWaalsContact N-CD1 3.34Å; S64-L88 PolarHBondContact N-O 3.49Å; S64-R89 VanDerWaalsContact O-CA 3.31Å; S64-R89 WeakPolarHBondContact O-CA 3.21Å; S64-I90 CarbonylContact C-O 3.51Å; S64-I90 PolarHBondContact O-N 3.45Å
65	R	98.1	Very high	98.6	Very high	147 Å²	147	43.1 Å²	43.1	56%	0.555	21%	0.213	S	C	*	.	S	Bend	trans	-74.8	-29.4	-176.1	-65.1	173	-64.7	171.1	1.3	114.1	R89 I90 D91	R65-R89 PolarHBondContact O-NE 3.31Å; R65-I90 WeakPolarHBondContact CA-O 3.34Å; R65-I90 VanDerWaalsContact CG-O 3.29Å; R65-I90 WeakPolarHBondContact CG-O 3.32Å; R65-I90 PolarHBondContact N-O 3.25Å; R65-D91 WeakPolarHBondContact CD-OD2 3.42Å; R65-D91 HydrophobicContact CG-CB 4.21Å
66	N	97.9	Very high	98.6	Very high	86 Å²	86	43.7 Å²	43.7	46%	0.46	22%	0.217	S	C	.	.			trans	-97.3	99	-176.1	-175.7	-24.2	0	0	0	109.8	D68 K69 L70	N66-D68 PolarHBondContact OD1-N 2.82Å; N66-K69 HydrophobicContact CB-CB 4.21Å; N66-K69 PolarHBondContact OD1-N 3.37Å; N66-K69 VanDerWaalsContact OD1-N 3.11Å; N66-L70 VanDerWaalsContact O-CG 3.31Å; N66-L70 WeakPolarHBondContact O-CG 3.44Å; N66-L70 PolarHBondContact O-N 2.84Å
67	L	98.3	Very high	98.6	Very high	53 Å²	53	43.7 Å²	43.7	28%	0.277	22%	0.217	S	C	.	.	H	α-helix	trans	-66.6	-37.6	-176.1	-176.1	57.7	0	0	0	113.1	K69 L70 K71 R89	L67-K69 PolarHBondContact O-N 2.91Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å; L67-L70 PolarHBondContact O-N 2.78Å; L67-K71 HydrophobicContact CD1-CG 4.36Å; L67-K71 HydrophobicContact CG-CD 4.26Å; L67-K71 HydrophobicContact CG-CG 4.42Å; L67-K71 WeakPolarHBondContact O-CG 3.43Å; L67-K71 PolarHBondContact O-N 3.08Å; L67-R89 HydrophobicContact CB-CB 4.2Å; L67-R89 HydrophobicContact CD1-CB 4.26Å
68	D	98.3	Very high	98.6	Very high	118 Å²	118	44.8 Å²	44.8	63%	0.631	22%	0.223	S	C	*	.	H	α-helix	trans	-66.6	-42.1	-177.2	-60.9	-33.8	0	0	0	110.9	N66 L70 K71 E72	N66-D68 PolarHBondContact OD1-N 2.82Å; D68-L70 VanDerWaalsContact C-N 3.3Å; D68-L70 PolarHBondContact O-N 3.23Å; D68-K71 PolarHBondContact O-N 3.19Å; D68-E72 PolarHBondContact O-N 2.86Å
69	K	97.7	Very high	98.6	Very high	76 Å²	76	48.9 Å²	48.9	33%	0.33	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-39.4	172.9	-172.8	170.1	-171.3	175.2	0	112.1	D16 G42 N66 L67 A73	D16-K69 WeakPolarHBondContact OD2-CE 3.41Å; D16-K69 IonicContact OD2-NZ 3.76Å; D16-K69 PolarHBondContact OD2-NZ 2.82Å; G42-K69 VanDerWaalsContact O-CE 3.24Å; G42-K69 WeakPolarHBondContact O-CE 3.37Å; N66-K69 HydrophobicContact CB-CB 4.21Å; N66-K69 PolarHBondContact OD1-N 3.37Å; N66-K69 VanDerWaalsContact OD1-N 3.11Å; L67-K69 PolarHBondContact O-N 2.91Å; K69-A73 WeakPolarHBondContact O-CB 3.49Å; K69-A73 PolarHBondContact O-N 3.32Å
70	L	98.7	Very high	98.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-40.9	177	-66.3	166.2	0	0	0	111.8	I62 S64 N66 L67 D68 A73 A74 P87 L88	I62-L70 HydrophobicContact CB-CD2 4.05Å; I62-L70 HydrophobicContact CD1-CB 4.35Å; I62-L70 HydrophobicContact CD1-CD2 3.94Å; I62-L70 WeakPolarHBondContact CD1-O 3.24Å; I62-L70 HydrophobicContact CG1-CB 4.47Å; I62-L70 HydrophobicContact CG1-CD2 3.86Å; S64-L70 VanDerWaalsContact N-CD1 3.34Å; N66-L70 VanDerWaalsContact O-CG 3.31Å; N66-L70 WeakPolarHBondContact O-CG 3.44Å; N66-L70 PolarHBondContact O-N 2.84Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å; L67-L70 PolarHBondContact O-N 2.78Å; D68-L70 VanDerWaalsContact C-N 3.3Å; D68-L70 PolarHBondContact O-N 3.23Å; L70-A73 PolarHBondContact O-N 3.17Å; L70-A74 VanDerWaalsContact O-CB 3.31Å; L70-A74 WeakPolarHBondContact O-CB 3.28Å; L70-A74 PolarHBondContact O-N 3.08Å; L70-P87 HydrophobicContact CB-CB 3.63Å; L70-L88 WeakPolarHBondContact CD1-O 3.5Å
71	K	98.8	Very high	98.4	Very high	106 Å²	106	51.8 Å²	51.8	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-44.9	177	-74.9	174.4	174.8	176.1	0	111.5	L67 D68 A74 V75 P87	L67-K71 HydrophobicContact CD1-CG 4.36Å; L67-K71 HydrophobicContact CG-CD 4.26Å; L67-K71 HydrophobicContact CG-CG 4.42Å; L67-K71 WeakPolarHBondContact O-CG 3.43Å; L67-K71 PolarHBondContact O-N 3.08Å; D68-K71 PolarHBondContact O-N 3.19Å; K71-A74 PolarHBondContact O-N 2.88Å; K71-V75 WeakPolarHBondContact O-CG2 3.45Å; K71-V75 PolarHBondContact O-N 3.08Å; K71-V75 VanDerWaalsContact O-N 3.13Å; K71-P87 HydrophobicContact CG-CB 4.42Å; K71-P87 HydrophobicContact CG-CG 4.02Å
72	E	98.6	Very high	98.3	Very high	111 Å²	111	55.1 Å²	55.1	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-48.5	175.2	-171.1	-168.1	153	0	0	111.3	D68 A74 V75 K76	D68-E72 PolarHBondContact O-N 2.86Å; E72-A74 PolarHBondContact O-N 3.39Å; E72-V75 PolarHBondContact O-N 3.34Å; E72-K76 WeakPolarHBondContact O-CG 3.41Å; E72-K76 PolarHBondContact O-N 3.28Å; E72-K76 WeakPolarHBondContact OE1-CE 3.49Å; E72-K76 IonicContact OE1-NZ 2.82Å; E72-K76 PolarHBondContact OE1-NZ 3.04Å
73	A	98.8	Very high	98.3	Very high	4 Å²	4	58 Å²	58	3%	0.033	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-45.8	177.2	0	0	0	0	0	112.3	L47 I62 K69 L70 V75 K76 L77	L47-A73 HydrophobicContact CD1-CB 3.56Å; I62-A73 HydrophobicContact CD1-CB 3.74Å; K69-A73 WeakPolarHBondContact O-CB 3.49Å; K69-A73 PolarHBondContact O-N 3.32Å; L70-A73 PolarHBondContact O-N 3.17Å; A73-V75 VanDerWaalsContact C-N 3.31Å; A73-V75 PolarHBondContact O-N 2.98Å; A73-K76 PolarHBondContact O-N 2.92Å; A73-L77 VanDerWaalsContact O-CB 3.29Å; A73-L77 WeakPolarHBondContact O-CB 3.26Å; A73-L77 WeakPolarHBondContact O-CG 3.45Å; A73-L77 PolarHBondContact O-N 3.2Å
74	A	98.8	Very high	98.3	Very high	6 Å²	6	63.3 Å²	63.3	5%	0.05	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-38.1	-179.5	0	0	0	0	0	112.7	I62 L70 K71 E72 S78 C85 P87	I62-A74 HydrophobicContact CD1-CB 4.21Å; L70-A74 VanDerWaalsContact O-CB 3.31Å; L70-A74 WeakPolarHBondContact O-CB 3.28Å; L70-A74 PolarHBondContact O-N 3.08Å; K71-A74 PolarHBondContact O-N 2.88Å; E72-A74 PolarHBondContact O-N 3.39Å; A74-S78 VanDerWaalsContact O-CB 3.31Å; A74-S78 WeakPolarHBondContact O-CB 3.35Å; A74-S78 PolarHBondContact O-N 3.33Å; A74-S78 PolarHBondContact O-OG 3.39Å; A74-C85 HydrophobicContact CB-CB 4.04Å; A74-P87 HydrophobicContact CB-CB 4.01Å; A74-P87 HydrophobicContact CB-CG 3.87Å
75	V	98.7	Very high	98.3	Very high	106 Å²	106	62.8 Å²	62.8	64%	0.642	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-50.2	174.5	170.6	0	0	0	0	110.6	K71 E72 A73 L77 S78 A79	K71-V75 WeakPolarHBondContact O-CG2 3.45Å; K71-V75 PolarHBondContact O-N 3.08Å; K71-V75 VanDerWaalsContact O-N 3.13Å; E72-V75 PolarHBondContact O-N 3.34Å; A73-V75 VanDerWaalsContact C-N 3.31Å; A73-V75 PolarHBondContact O-N 2.98Å; V75-L77 PolarHBondContact O-N 3.08Å; V75-S78 PolarHBondContact O-N 3.05Å; V75-A79 WeakPolarHBondContact O-CB 3.43Å; V75-A79 PolarHBondContact O-N 3.28Å
76	K	98.5	Very high	98.4	Very high	58 Å²	58	57.1 Å²	57.1	25%	0.252	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-48.1	178.7	-66.5	178	-175	178.2	0	111.5	D17 E72 A73 A79 A80	D17-K76 WeakPolarHBondContact OD1-CE 3.47Å; D17-K76 IonicContact OD1-NZ 3.07Å; D17-K76 PolarHBondContact OD1-NZ 3.21Å; E72-K76 WeakPolarHBondContact O-CG 3.41Å; E72-K76 PolarHBondContact O-N 3.28Å; E72-K76 WeakPolarHBondContact OE1-CE 3.49Å; E72-K76 IonicContact OE1-NZ 2.82Å; E72-K76 PolarHBondContact OE1-NZ 3.04Å; A73-K76 PolarHBondContact O-N 2.92Å; K76-A79 PolarHBondContact O-N 3.04Å; K76-A80 WeakPolarHBondContact O-CB 3.35Å; K76-A80 PolarHBondContact O-N 2.89Å
77	L	98.8	Very high	98.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-46.3	-179.6	-75.8	170.9	0	0	0	112.5	L47 A50 E51 M54 I62 A73 V75 A80 S81 C85	L47-L77 HydrophobicContact CD1-CD1 4.11Å; L47-L77 HydrophobicContact CD1-CD2 4.5Å; L47-L77 HydrophobicContact CD1-CG 4.3Å; A50-L77 HydrophobicContact CB-CD1 3.94Å; A50-L77 HydrophobicContact CB-CD2 4.23Å; E51-L77 VanDerWaalsContact CA-CD2 3.46Å; E51-L77 HydrophobicContact CB-CD2 3.49Å; E51-L77 VanDerWaalsContact CB-CD2 3.49Å; E51-L77 HydrophobicContact CG-CD2 4.2Å; M54-L77 HydrophobicContact CE-CB 4.13Å; M54-L77 HydrophobicContact SD-CB 3.68Å; M54-L77 HydrophobicContact SD-CD1 4.5Å; M54-L77 HydrophobicContact SD-CD2 4.23Å; M54-L77 HydrophobicContact SD-CG 4.37Å; I62-L77 HydrophobicContact CD1-CD1 4.08Å; I62-L77 HydrophobicContact CG2-CD1 4.37Å; A73-L77 VanDerWaalsContact O-CB 3.29Å; A73-L77 WeakPolarHBondContact O-CB 3.26Å; A73-L77 WeakPolarHBondContact O-CG 3.45Å; A73-L77 PolarHBondContact O-N 3.2Å; V75-L77 PolarHBondContact O-N 3.08Å; L77-A80 PolarHBondContact O-N 3.18Å; L77-S81 PolarHBondContact O-N 2.94Å; L77-S81 PolarHBondContact O-OG 2.74Å; L77-C85 HydrophobicContact CB-CB 4.31Å
78	S	98.6	Very high	98.4	Very high	35 Å²	35	52.2 Å²	52.2	25%	0.245	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-41.8	179.3	-52.9	0	0	0	0	111.1	A74 V75 A80 G82 R83 C85	A74-S78 VanDerWaalsContact O-CB 3.31Å; A74-S78 WeakPolarHBondContact O-CB 3.35Å; A74-S78 PolarHBondContact O-N 3.33Å; A74-S78 PolarHBondContact O-OG 3.39Å; V75-S78 PolarHBondContact O-N 3.05Å; S78-A80 PolarHBondContact O-N 3.46Å; S78-G82 WeakPolarHBondContact O-CA 3.38Å; S78-G82 PolarHBondContact O-N 3.05Å; S78-R83 WeakPolarHBondContact CA-O 3.35Å; S78-R83 WeakPolarHBondContact CB-O 3.44Å; S78-C85 WeakPolarHBondContact OG-CB 3.45Å; S78-C85 PolarHBondContact OG-N 2.86Å
79	A	98.3	Very high	98.5	Very high	86 Å²	86	55.3 Å²	55.3	71%	0.711	30%	0.301	S	S	*	.	H	α-helix	trans	-63.8	-38.5	177.6	0	0	0	0	0	112.8	V75 K76	V75-A79 WeakPolarHBondContact O-CB 3.43Å; V75-A79 PolarHBondContact O-N 3.28Å; K76-A79 PolarHBondContact O-N 3.04Å
80	A	97.1	Very high	98.5	Very high	36 Å²	36	52 Å²	52	30%	0.298	29%	0.286	S	S	.	.	H	α-helix	trans	-76.4	-21.9	-176.4	0	0	0	0	0	114.5	C18 K76 L77 S78	C18-A80 HydrophobicContact CB-CB 3.64Å; K76-A80 WeakPolarHBondContact O-CB 3.35Å; K76-A80 PolarHBondContact O-N 2.89Å; L77-A80 PolarHBondContact O-N 3.18Å; S78-A80 PolarHBondContact O-N 3.46Å
81	S	97.2	Very high	98.5	Very high	33 Å²	33	53.5 Å²	53.5	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-121.7	-19.7	-171.4	63.7	0	0	0	0	114.6	M54 L77 R83	M54-S81 WeakPolarHBondContact CB-OG 3.38Å; M54-S81 WeakPolarHBondContact CE-OG 3.43Å; L77-S81 PolarHBondContact O-N 2.94Å; L77-S81 PolarHBondContact O-OG 2.74Å; S81-R83 PolarHBondContact O-N 3.39Å; S81-R83 PolarHBondContact OG-N 3.24Å
82	G	97.7	Very high	98.5	Very high	70 Å²	70	49 Å²	49	72%	0.722	28%	0.276	S	S	*	.	S	Bend	trans	71.5	5.2	-171.2	0	0	0	0	0	114.5	S78	S78-G82 WeakPolarHBondContact O-CA 3.38Å; S78-G82 PolarHBondContact O-N 3.05Å
83	R	98.6	Very high	98.5	Very high	61 Å²	61	47 Å²	47	23%	0.23	26%	0.263	C	S	.	.	S	Bend	trans	-94.1	167	174.7	-61.1	-54.1	-57.2	-156.6	-2.1	111.3	D33 M54 C58 D59 S78 S81	D33-R83 IonicContact OD1-CZ 3.23Å; D33-R83 IonicContact OD1-NH1 3.05Å; D33-R83 PolarHBondContact OD1-NH1 3.23Å; D33-R83 IonicContact OD1-NH2 3.82Å; D33-R83 PolarHBondContact OD1-NH2 3Å; M54-R83 HydrophobicContact CB-CB 4.07Å; M54-R83 HydrophobicContact CB-CG 4.3Å; M54-R83 HydrophobicContact CE-CB 3.79Å; M54-R83 VanDerWaalsContact CE-O 3.32Å; M54-R83 WeakPolarHBondContact CE-O 3.4Å; M54-R83 HydrophobicContact CG-CB 4.2Å; M54-R83 VanDerWaalsContact O-CG 3.3Å; M54-R83 WeakPolarHBondContact O-CG 3.31Å; C58-R83 WeakPolarHBondContact O-CB 3.15Å; D59-R83 VanDerWaalsContact CG-NH2 3.33Å; D59-R83 IonicContact OD1-CZ 2.78Å; D59-R83 IonicContact OD1-NE 3.39Å; D59-R83 PolarHBondContact OD1-NE 3.05Å; D59-R83 IonicContact OD1-NH2 3.37Å; D59-R83 PolarHBondContact OD1-NH2 3.3Å; D59-R83 IonicContact OD2-NH2 2.83Å; D59-R83 PolarHBondContact OD2-NH2 3.06Å; S78-R83 WeakPolarHBondContact CA-O 3.35Å; S78-R83 WeakPolarHBondContact CB-O 3.44Å; S81-R83 PolarHBondContact O-N 3.39Å; S81-R83 PolarHBondContact OG-N 3.24Å
84	R	98.8	Very high	98.5	Very high	111 Å²	111	52.1 Å²	52.1	42%	0.419	29%	0.287	S	S	.	.			trans	-87.1	135.6	-179.4	-64.2	-177.5	-65.9	162.5	-6.2	110.9	D59 T60 E108 F109	D59-R84 HydrophobicContact CB-CB 4.42Å; D59-R84 PolarHBondContact OD1-N 3.27Å; D59-R84 IonicContact OD2-CZ 3.28Å; D59-R84 IonicContact OD2-NE 2.73Å; D59-R84 PolarHBondContact OD2-NE 2.9Å; D59-R84 VanDerWaalsContact OD2-NE 3.12Å; D59-R84 IonicContact OD2-NH2 2.89Å; D59-R84 PolarHBondContact OD2-NH2 3.38Å; T60-R84 PolarHBondContact N-O 2.84Å; R84-E108 PolarHBondContact NH1-O 2.97Å; R84-E108 IonicContact NH1-OE1 3.43Å; R84-E108 PolarHBondContact NH1-OE1 2.86Å; R84-F109 HydrophobicContact CB-CE1 3.9Å; R84-F109 HydrophobicContact CB-CZ 4.29Å; R84-F109 VanDerWaalsContact CZ-CD1 3.49Å; R84-F109 VanDerWaalsContact CZ-CE1 3.45Å
85	C	98.9	Very high	98.5	Very high	16 Å²	16	54.4 Å²	54.4	11%	0.108	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.7	171.3	-172.8	0	0	0	0	111.2	M54 T60 A74 L77 S78 P87	M54-C85 HydrophobicContact CE-CB 3.69Å; M54-C85 HydrophobicContact SD-CB 4.17Å; T60-C85 CarbonylContact O-C 3.13Å; T60-C85 VanDerWaalsContact O-CA 3.24Å; T60-C85 WeakPolarHBondContact O-CA 3.3Å; T60-C85 PolarHBondContact OG1-SG 2.88Å; A74-C85 HydrophobicContact CB-CB 4.04Å; L77-C85 HydrophobicContact CB-CB 4.31Å; S78-C85 WeakPolarHBondContact OG-CB 3.45Å; S78-C85 PolarHBondContact OG-N 2.86Å; C85-P87 WeakPolarHBondContact O-CD 3.35Å
86	L	98.9	Very high	98.5	Very high	28 Å²	28	56 Å²	56	15%	0.147	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.5	178.1	179.7	65.6	0	0	0	110.5	T60 V61 I62 L88 E104 E108 F109	T60-L86 PolarHBondContact O-N 2.89Å; V61-L86 CarbonylContact C-O 3.46Å; V61-L86 VanDerWaalsContact CA-O 3.31Å; V61-L86 WeakPolarHBondContact CA-O 3.37Å; V61-L86 HydrophobicContact CG1-CB 4.44Å; V61-L86 HydrophobicContact CG1-CD2 4.46Å; V61-L86 WeakPolarHBondContact CG1-O 3.13Å; V61-L86 HydrophobicContact CG2-CB 4.16Å; V61-L86 HydrophobicContact CG2-CD2 4.3Å; I62-L86 PolarHBondContact N-O 3.35Å; L86-L88 HydrophobicContact CD1-CD2 4.19Å; L86-L88 HydrophobicContact CD2-CD1 3.99Å; L86-L88 HydrophobicContact CD2-CD2 4.03Å; L86-L88 HydrophobicContact CD2-CG 4.11Å; L86-L88 HydrophobicContact CG-CD1 4.39Å; L86-L88 HydrophobicContact CG-CD2 3.87Å; L86-L88 HydrophobicContact CG-CG 3.97Å; L86-E104 HydrophobicContact CD2-CG 4.38Å; L86-E108 HydrophobicContact CD2-CB 4.12Å; L86-E108 HydrophobicContact CD2-CG 4.27Å; L86-F109 HydrophobicContact CB-CE2 3.77Å; L86-F109 HydrophobicContact CB-CZ 4.02Å; L86-F109 HydrophobicContact CD2-CE2 3.94Å
87	P	98.9	Very high	98.5	Very high	30 Å²	30	55 Å²	55	20%	0.195	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.9	176.3	31.9	-32	0	0	0	112.1	I62 L70 K71 A74 C85	I62-P87 HydrophobicContact CG1-CB 4.33Å; I62-P87 WeakPolarHBondContact O-CA 3.32Å; L70-P87 HydrophobicContact CB-CB 3.63Å; K71-P87 HydrophobicContact CG-CB 4.42Å; K71-P87 HydrophobicContact CG-CG 4.02Å; A74-P87 HydrophobicContact CB-CB 4.01Å; A74-P87 HydrophobicContact CB-CG 3.87Å; C85-P87 WeakPolarHBondContact O-CD 3.35Å
88	L	98.8	Very high	98.5	Very high	6 Å²	6	55 Å²	55	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.3	-179.1	-61	-177.8	0	0	0	113	F37 V61 I62 A63 S64 L70 L86 I90 A101 E104	F37-L88 HydrophobicContact CE2-CD1 4.4Å; V61-L88 HydrophobicContact CG1-CB 4.44Å; V61-L88 HydrophobicContact CG1-CD1 3.52Å; V61-L88 HydrophobicContact CG1-CG 3.85Å; I62-L88 PolarHBondContact O-N 3.45Å; A63-L88 VanDerWaalsContact CA-O 3.26Å; A63-L88 WeakPolarHBondContact CA-O 3.12Å; A63-L88 HydrophobicContact CB-CB 4.47Å; S64-L88 PolarHBondContact N-O 3.49Å; L70-L88 WeakPolarHBondContact CD1-O 3.5Å; L86-L88 HydrophobicContact CD1-CD2 4.19Å; L86-L88 HydrophobicContact CD2-CD1 3.99Å; L86-L88 HydrophobicContact CD2-CD2 4.03Å; L86-L88 HydrophobicContact CD2-CG 4.11Å; L86-L88 HydrophobicContact CG-CD1 4.39Å; L86-L88 HydrophobicContact CG-CD2 3.87Å; L86-L88 HydrophobicContact CG-CG 3.97Å; L88-I90 PolarHBondContact O-N 3.39Å; L88-A101 HydrophobicContact CB-CB 4.28Å; L88-A101 HydrophobicContact CD1-CB 3.73Å; L88-A101 VanDerWaalsContact CD1-O 3.26Å; L88-A101 WeakPolarHBondContact CD1-O 3.46Å; L88-E104 HydrophobicContact CD1-CB 4.3Å; L88-E104 HydrophobicContact CD2-CG 4.12Å; L88-E104 WeakPolarHBondContact CD2-OE1 3.29Å; L88-E104 WeakPolarHBondContact CD2-OE2 3.43Å
89	R	98.7	Very high	98.5	Very high	183 Å²	183	54.3 Å²	54.3	69%	0.691	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.6	174.9	-174.1	179.7	176.6	-173.2	-4.3	110.2	S64 R65 L67	S64-R89 VanDerWaalsContact O-CA 3.31Å; S64-R89 WeakPolarHBondContact O-CA 3.21Å; R65-R89 PolarHBondContact O-NE 3.31Å; L67-R89 HydrophobicContact CB-CB 4.2Å; L67-R89 HydrophobicContact CD1-CB 4.26Å
90	I	98.6	Very high	98.5	Very high	5 Å²	5	53 Å²	53	3%	0.026	29%	0.292	C	S	.	.			trans	-135.3	158.9	172.7	69.8	170.9	0	0	0	111.6	F37 T39 A63 S64 R65 L88 V92 I98 A101	F37-I90 HydrophobicContact CE1-CD1 4.21Å; F37-I90 HydrophobicContact CZ-CD1 4.35Å; T39-I90 HydrophobicContact CG2-CD1 4.12Å; A63-I90 HydrophobicContact CB-CD1 3.48Å; A63-I90 VanDerWaalsContact CB-CD1 3.48Å; A63-I90 HydrophobicContact CB-CG1 3.72Å; A63-I90 HydrophobicContact CB-CG2 4.28Å; S64-I90 CarbonylContact C-O 3.51Å; S64-I90 PolarHBondContact O-N 3.45Å; R65-I90 WeakPolarHBondContact CA-O 3.34Å; R65-I90 VanDerWaalsContact CG-O 3.29Å; R65-I90 WeakPolarHBondContact CG-O 3.32Å; R65-I90 PolarHBondContact N-O 3.25Å; L88-I90 PolarHBondContact O-N 3.39Å; I90-V92 HydrophobicContact CD1-CG1 3.9Å; I90-I98 HydrophobicContact CD1-CG1 4.49Å; I90-A101 HydrophobicContact CG2-CB 3.44Å; I90-A101 VanDerWaalsContact CG2-CB 3.44Å
91	D	98.6	Very high	98.6	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.171	28%	0.28	C	S	.	.			trans	-117.1	118.2	155.8	-167.4	-37.8	0	0	0	107.7	R65 R93 Q94 S97	R65-D91 WeakPolarHBondContact CD-OD2 3.42Å; R65-D91 HydrophobicContact CG-CB 4.21Å; D91-R93 PolarHBondContact O-N 2.93Å; D91-R93 VanDerWaalsContact OD1-CB 3.3Å; D91-R93 WeakPolarHBondContact OD1-CB 3.25Å; D91-R93 WeakPolarHBondContact OD1-CG 3.39Å; D91-R93 IonicContact OD1-CZ 3.68Å; D91-R93 PolarHBondContact OD1-N 2.9Å; D91-R93 IonicContact OD1-NE 2.65Å; D91-R93 PolarHBondContact OD1-NE 3Å; D91-R93 IonicContact OD1-NH2 3.7Å; D91-R93 IonicContact OD2-CZ 2.79Å; D91-R93 IonicContact OD2-NE 3.3Å; D91-R93 PolarHBondContact OD2-NE 3.45Å; D91-R93 IonicContact OD2-NH2 2.76Å; D91-R93 PolarHBondContact OD2-NH2 3.01Å; D91-Q94 HydrophobicContact CB-CB 4.35Å; D91-Q94 HydrophobicContact CB-CG 3.99Å; D91-Q94 WeakPolarHBondContact O-CB 3.23Å; D91-Q94 PolarHBondContact O-N 2.84Å; D91-S97 PolarHBondContact N-OG 2.85Å; D91-S97 PolarHBondContact O-OG 2.8Å; D91-S97 VanDerWaalsContact O-OG 3.12Å
92	V	98.7	Very high	98.6	Very high	12 Å²	12	50 Å²	50	7%	0.073	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18	-176.6	-64.3	0	0	0	0	112.9	T39 I90 Q94 I98 A119 I141 G145 N148	T39-V92 HydrophobicContact CG2-CG1 4.04Å; I90-V92 HydrophobicContact CD1-CG1 3.9Å; V92-Q94 PolarHBondContact O-N 2.85Å; V92-I98 WeakPolarHBondContact O-CD1 3.47Å; V92-A119 HydrophobicContact CG1-CB 4.15Å; V92-I141 HydrophobicContact CG2-CG2 4.4Å; V92-G145 WeakPolarHBondContact O-CA 3.35Å; V92-N148 PolarHBondContact O-ND2 3.3Å
93	R	98.6	Very high	98.7	Very high	69 Å²	69	50.3 Å²	50.3	26%	0.26	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.2	174.3	-58.8	173.7	-68.7	170	4.5	113.3	D91 P95 E140 I141	D91-R93 PolarHBondContact O-N 2.93Å; D91-R93 VanDerWaalsContact OD1-CB 3.3Å; D91-R93 WeakPolarHBondContact OD1-CB 3.25Å; D91-R93 WeakPolarHBondContact OD1-CG 3.39Å; D91-R93 IonicContact OD1-CZ 3.68Å; D91-R93 PolarHBondContact OD1-N 2.9Å; D91-R93 IonicContact OD1-NE 2.65Å; D91-R93 PolarHBondContact OD1-NE 3Å; D91-R93 IonicContact OD1-NH2 3.7Å; D91-R93 IonicContact OD2-CZ 2.79Å; D91-R93 IonicContact OD2-NE 3.3Å; D91-R93 PolarHBondContact OD2-NE 3.45Å; D91-R93 IonicContact OD2-NH2 2.76Å; D91-R93 PolarHBondContact OD2-NH2 3.01Å; R93-P95 WeakPolarHBondContact O-CD 3.39Å; R93-E140 HydrophobicContact CG-CB 4.1Å; R93-E140 WeakPolarHBondContact CG-O 3.3Å; R93-I141 HydrophobicContact CG-CG1 4.37Å
94	Q	98.6	Very high	98.7	Very high	111 Å²	111	52 Å²	52	52%	0.519	26%	0.264	S	S	.	.			trans	-118.9	94.4	-173.5	-58.9	-60.1	-49.8	0	0	109.8	D91 V92 D96 S97 I98	D91-Q94 HydrophobicContact CB-CB 4.35Å; D91-Q94 HydrophobicContact CB-CG 3.99Å; D91-Q94 WeakPolarHBondContact O-CB 3.23Å; D91-Q94 PolarHBondContact O-N 2.84Å; V92-Q94 PolarHBondContact O-N 2.85Å; Q94-D96 VanDerWaalsContact C-N 3.27Å; Q94-D96 PolarHBondContact O-N 2.96Å; Q94-S97 PolarHBondContact O-N 3.45Å; Q94-S97 PolarHBondContact O-OG 2.91Å; Q94-I98 PolarHBondContact O-N 3.4Å
95	P	98.6	Very high	98.7	Very high	55 Å²	55	46.7 Å²	46.7	36%	0.357	24%	0.244	S	C	.	.	H	α-helix	trans	-51.6	-40.4	-177.8	-29.5	36.3	0	0	0	114.3	R93 S97 I98 A99 N148	R93-P95 WeakPolarHBondContact O-CD 3.39Å; P95-S97 VanDerWaalsContact C-N 3.3Å; P95-S97 PolarHBondContact O-N 2.82Å; P95-I98 WeakPolarHBondContact O-CB 3.49Å; P95-I98 PolarHBondContact O-N 2.86Å; P95-I98 VanDerWaalsContact O-N 3.11Å; P95-A99 PolarHBondContact O-N 2.91Å; P95-N148 HydrophobicContact CG-CB 4.47Å
96	D	98.4	Very high	98.7	Very high	140 Å²	140	47.5 Å²	47.5	75%	0.749	25%	0.248	S	C	*	.	H	α-helix	trans	-63.2	-36.5	-179.8	-62.1	-20.4	0	0	0	112.5	Q94 I98 A99 A100	Q94-D96 VanDerWaalsContact C-N 3.27Å; Q94-D96 PolarHBondContact O-N 2.96Å; D96-I98 VanDerWaalsContact C-N 3.32Å; D96-A99 PolarHBondContact O-N 3.46Å; D96-A100 PolarHBondContact O-N 2.78Å
97	S	98.3	Very high	98.7	Very high	35 Å²	35	55.1 Å²	55.1	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-35.5	176.1	80.7	0	0	0	0	112	D91 Q94 P95 A101	D91-S97 PolarHBondContact N-OG 2.85Å; D91-S97 PolarHBondContact O-OG 2.8Å; D91-S97 VanDerWaalsContact O-OG 3.12Å; Q94-S97 PolarHBondContact O-N 3.45Å; Q94-S97 PolarHBondContact O-OG 2.91Å; P95-S97 VanDerWaalsContact C-N 3.3Å; P95-S97 PolarHBondContact O-N 2.82Å; S97-A101 WeakPolarHBondContact O-CB 3.5Å; S97-A101 PolarHBondContact O-N 2.86Å
98	I	98.8	Very high	98.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69	-44.8	175.2	-59.5	160.7	0	0	0	109.4	I90 V92 Q94 P95 D96 A100 A101 V102 N148 T149 V152	I90-I98 HydrophobicContact CD1-CG1 4.49Å; V92-I98 WeakPolarHBondContact O-CD1 3.47Å; Q94-I98 PolarHBondContact O-N 3.4Å; P95-I98 WeakPolarHBondContact O-CB 3.49Å; P95-I98 PolarHBondContact O-N 2.86Å; P95-I98 VanDerWaalsContact O-N 3.11Å; D96-I98 VanDerWaalsContact C-N 3.32Å; I98-A100 VanDerWaalsContact C-N 3.35Å; I98-A100 PolarHBondContact O-N 2.95Å; I98-A101 PolarHBondContact O-N 3.14Å; I98-A101 VanDerWaalsContact O-N 3.13Å; I98-V102 HydrophobicContact CG2-CG2 4.27Å; I98-V102 WeakPolarHBondContact O-CG2 3.38Å; I98-V102 PolarHBondContact O-N 3.33Å; I98-N148 HydrophobicContact CD1-CB 3.68Å; I98-T149 HydrophobicContact CG2-CG2 4.16Å; I98-V152 HydrophobicContact CB-CG1 4.39Å; I98-V152 HydrophobicContact CB-CG2 4.46Å; I98-V152 HydrophobicContact CG2-CB 3.84Å; I98-V152 HydrophobicContact CG2-CG1 3.77Å; I98-V152 HydrophobicContact CG2-CG2 4.27Å
99	A	98.8	Very high	98.7	Very high	22 Å²	22	59.2 Å²	59.2	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-47.7	-179.9	0	0	0	0	0	111.4	P95 D96 A101 V102 D103 V152 K156	P95-A99 PolarHBondContact O-N 2.91Å; D96-A99 PolarHBondContact O-N 3.46Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3.28Å; A99-V102 PolarHBondContact O-N 3.4Å; A99-D103 PolarHBondContact O-N 2.96Å; A99-V152 HydrophobicContact CB-CG1 4.06Å; A99-K156 WeakPolarHBondContact O-CE 3.28Å
100	A	98.8	Very high	98.7	Very high	59 Å²	59	53 Å²	53	49%	0.488	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-40.7	175.4	0	0	0	0	0	112.5	D96 I98 D103 E104	D96-A100 PolarHBondContact O-N 2.78Å; I98-A100 VanDerWaalsContact C-N 3.35Å; I98-A100 PolarHBondContact O-N 2.95Å; A100-D103 PolarHBondContact O-N 3.22Å; A100-E104 PolarHBondContact O-N 3.48Å
101	A	98.8	Very high	98.7	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-35.8	178.2	0	0	0	0	0	113.1	F37 L88 I90 S97 I98 A99 E104 T105	F37-A101 HydrophobicContact CE2-CB 4.16Å; F37-A101 HydrophobicContact CZ-CB 4.08Å; L88-A101 HydrophobicContact CB-CB 4.28Å; L88-A101 HydrophobicContact CD1-CB 3.73Å; L88-A101 VanDerWaalsContact CD1-O 3.26Å; L88-A101 WeakPolarHBondContact CD1-O 3.46Å; I90-A101 HydrophobicContact CG2-CB 3.44Å; I90-A101 VanDerWaalsContact CG2-CB 3.44Å; S97-A101 WeakPolarHBondContact O-CB 3.5Å; S97-A101 PolarHBondContact O-N 2.86Å; I98-A101 PolarHBondContact O-N 3.14Å; I98-A101 VanDerWaalsContact O-N 3.13Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3.28Å; A101-E104 PolarHBondContact O-N 3.3Å; A101-T105 WeakPolarHBondContact O-CB 3.34Å; A101-T105 PolarHBondContact O-N 2.94Å; A101-T105 PolarHBondContact O-OG1 3.44Å
102	V	98.9	Very high	98.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-39.9	173	174.6	0	0	0	0	110.3	F37 I98 A99 E104 T105 L106 V152 V153 K156	F37-V102 HydrophobicContact CE2-CG2 4.38Å; I98-V102 HydrophobicContact CG2-CG2 4.27Å; I98-V102 WeakPolarHBondContact O-CG2 3.38Å; I98-V102 PolarHBondContact O-N 3.33Å; A99-V102 PolarHBondContact O-N 3.4Å; V102-E104 VanDerWaalsContact C-N 3.34Å; V102-E104 PolarHBondContact O-N 2.85Å; V102-T105 WeakPolarHBondContact O-CB 3.43Å; V102-T105 PolarHBondContact O-N 3.33Å; V102-L106 HydrophobicContact CG1-CD1 4.16Å; V102-L106 HydrophobicContact CG1-CG 4.4Å; V102-L106 WeakPolarHBondContact O-CG 3.32Å; V102-L106 PolarHBondContact O-N 3.41Å; V102-V152 HydrophobicContact CB-CG1 4.49Å; V102-V152 HydrophobicContact CG2-CG1 4.12Å; V102-V153 HydrophobicContact CG2-CG2 3.79Å; V102-K156 HydrophobicContact CB-CD 3.89Å; V102-K156 HydrophobicContact CG1-CB 3.86Å; V102-K156 HydrophobicContact CG1-CD 3.69Å; V102-K156 HydrophobicContact CG1-CG 4.42Å
103	D	98.9	Very high	98.7	Very high	77 Å²	77	56.7 Å²	56.7	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-42	174.4	-70.4	-28.5	0	0	0	111.9	A99 A100 L106 K107 K156	A99-D103 PolarHBondContact O-N 2.96Å; A100-D103 PolarHBondContact O-N 3.22Å; D103-L106 PolarHBondContact O-N 3.3Å; D103-K107 WeakPolarHBondContact O-CB 3.3Å; D103-K107 PolarHBondContact O-N 3.5Å; D103-K156 WeakPolarHBondContact OD1-CE 3.33Å; D103-K156 IonicContact OD1-NZ 2.66Å; D103-K156 PolarHBondContact OD1-NZ 3.48Å; D103-K156 IonicContact OD2-NZ 3.38Å; D103-K156 PolarHBondContact OD2-NZ 2.95Å
104	E	98.9	Very high	98.7	Very high	96 Å²	96	53.4 Å²	53.4	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-38.6	175	-167	172.2	169.4	0	0	112.1	L86 L88 A100 A101 V102 K107 E108	L86-E104 HydrophobicContact CD2-CG 4.38Å; L88-E104 HydrophobicContact CD1-CB 4.3Å; L88-E104 HydrophobicContact CD2-CG 4.12Å; L88-E104 WeakPolarHBondContact CD2-OE1 3.29Å; L88-E104 WeakPolarHBondContact CD2-OE2 3.43Å; A100-E104 PolarHBondContact O-N 3.48Å; A101-E104 PolarHBondContact O-N 3.3Å; V102-E104 VanDerWaalsContact C-N 3.34Å; V102-E104 PolarHBondContact O-N 2.85Å; E104-K107 PolarHBondContact O-N 2.86Å; E104-E108 WeakPolarHBondContact O-CB 3.4Å; E104-E108 PolarHBondContact O-N 3.13Å
105	T	98.9	Very high	98.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-49.7	173.6	-59.7	0	0	0	0	111.2	V35 F37 V61 A101 V102 K107 E108 F109 L112	V35-T105 HydrophobicContact CG1-CG2 4.19Å; F37-T105 HydrophobicContact CD2-CG2 4.43Å; F37-T105 WeakPolarHBondContact CD2-OG1 3.25Å; V61-T105 HydrophobicContact CG2-CG2 3.6Å; A101-T105 WeakPolarHBondContact O-CB 3.34Å; A101-T105 PolarHBondContact O-N 2.94Å; A101-T105 PolarHBondContact O-OG1 3.44Å; V102-T105 WeakPolarHBondContact O-CB 3.43Å; V102-T105 PolarHBondContact O-N 3.33Å; T105-K107 VanDerWaalsContact C-N 3.3Å; T105-K107 PolarHBondContact O-N 3.27Å; T105-E108 PolarHBondContact O-N 3.36Å; T105-F109 HydrophobicContact CG2-CD2 4.23Å; T105-F109 WeakPolarHBondContact O-CD2 3.37Å; T105-F109 PolarHBondContact O-N 3.13Å; T105-L112 HydrophobicContact CG2-CD1 4.48Å
106	L	98.8	Very high	98.8	Very high	33 Å²	33	45.5 Å²	45.5	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-33.7	179.8	-66.6	175.5	0	0	0	111.7	V102 D103 G110 L112 W157	V102-L106 HydrophobicContact CG1-CD1 4.16Å; V102-L106 HydrophobicContact CG1-CG 4.4Å; V102-L106 WeakPolarHBondContact O-CG 3.32Å; V102-L106 PolarHBondContact O-N 3.41Å; D103-L106 PolarHBondContact O-N 3.3Å; L106-G110 WeakPolarHBondContact O-CA 3.42Å; L106-G110 PolarHBondContact O-N 2.94Å; L106-L112 HydrophobicContact CD2-CB 4.24Å; L106-W157 HydrophobicContact CD1-CE3 4.03Å; L106-W157 HydrophobicContact CD2-CB 4.42Å; L106-W157 HydrophobicContact CD2-CD2 3.63Å; L106-W157 HydrophobicContact CD2-CE3 3.52Å; L106-W157 HydrophobicContact CD2-CG 4.02Å; L106-W157 HydrophobicContact CD2-CZ3 4Å; L106-W157 HydrophobicContact CG-CE3 4.42Å
107	K	98.8	Very high	98.8	Very high	189 Å²	189	38.9 Å²	38.9	82%	0.822	21%	0.211	S	C	*	.	H	α-helix	trans	-64.8	-43.5	173.7	-177.7	-175.4	174.5	-172	0	112.5	D103 E104 T105	D103-K107 WeakPolarHBondContact O-CB 3.3Å; D103-K107 PolarHBondContact O-N 3.5Å; E104-K107 PolarHBondContact O-N 2.86Å; T105-K107 VanDerWaalsContact C-N 3.3Å; T105-K107 PolarHBondContact O-N 3.27Å
108	E	98.7	Very high	98.8	Very high	98 Å²	98	38.2 Å²	38.2	46%	0.458	20%	0.204	S	C	.	.	H	α-helix	trans	-76.8	-38.9	-176.1	178.5	59.4	-152.8	0	0	112.8	R84 L86 E104 T105	R84-E108 PolarHBondContact NH1-O 2.97Å; R84-E108 IonicContact NH1-OE1 3.43Å; R84-E108 PolarHBondContact NH1-OE1 2.86Å; L86-E108 HydrophobicContact CD2-CB 4.12Å; L86-E108 HydrophobicContact CD2-CG 4.27Å; E104-E108 WeakPolarHBondContact O-CB 3.4Å; E104-E108 PolarHBondContact O-N 3.13Å; T105-E108 PolarHBondContact O-N 3.36Å
109	F	98.8	Very high	98.8	Very high	24 Å²	24	39.1 Å²	39.1	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-113.1	-16.4	-170.8	-61.2	-78.6	0	0	0	114.4	V35 D59 V61 R84 L86 T105 R111	V35-F109 HydrophobicContact CG1-CB 4.23Å; V35-F109 HydrophobicContact CG1-CD2 4.09Å; V35-F109 HydrophobicContact CG1-CG 4.06Å; V35-F109 HydrophobicContact CG2-CB 3.62Å; V35-F109 HydrophobicContact CG2-CD1 4.04Å; V35-F109 HydrophobicContact CG2-CG 3.9Å; D59-F109 HydrophobicContact CB-CD1 3.9Å; D59-F109 HydrophobicContact CB-CE1 3.57Å; D59-F109 HydrophobicContact CB-CZ 4.37Å; V61-F109 HydrophobicContact CG2-CD2 4.09Å; V61-F109 HydrophobicContact CG2-CE2 3.66Å; R84-F109 HydrophobicContact CB-CE1 3.9Å; R84-F109 HydrophobicContact CB-CZ 4.29Å; R84-F109 VanDerWaalsContact CZ-CD1 3.49Å; R84-F109 VanDerWaalsContact CZ-CE1 3.45Å; L86-F109 HydrophobicContact CB-CE2 3.77Å; L86-F109 HydrophobicContact CB-CZ 4.02Å; L86-F109 HydrophobicContact CD2-CE2 3.94Å; T105-F109 HydrophobicContact CG2-CD2 4.23Å; T105-F109 WeakPolarHBondContact O-CD2 3.37Å; T105-F109 PolarHBondContact O-N 3.13Å; F109-R111 PolarHBondContact O-N 3.42Å
110	G	98.6	Very high	98.7	Very high	51 Å²	51	40.9 Å²	40.9	53%	0.526	23%	0.226	S	C	.	.	S	Bend	trans	70.6	0.9	-176.7	0	0	0	0	0	114.8	L106 W157	L106-G110 WeakPolarHBondContact O-CA 3.42Å; L106-G110 PolarHBondContact O-N 2.94Å; G110-W157 WeakPolarHBondContact O-CH2 3.48Å
111	R	98.6	Very high	98.4	Very high	98 Å²	98	38.8 Å²	38.8	37%	0.37	21%	0.211	S	C	.	.			trans	-159.1	163.8	-177.4	69.3	-173.4	-63.5	166	10.2	112.2	D33 V35 F109 D113 W157	D33-R111 PolarHBondContact O-NH1 3.33Å; D33-R111 VanDerWaalsContact O-NH1 3.12Å; V35-R111 HydrophobicContact CB-CG 4.21Å; V35-R111 HydrophobicContact CG2-CG 3.54Å; F109-R111 PolarHBondContact O-N 3.42Å; R111-D113 IonicContact CZ-OD1 3.34Å; R111-D113 IonicContact CZ-OD2 3.44Å; R111-D113 IonicContact NE-OD1 3.94Å; R111-D113 PolarHBondContact NE-OD1 3.49Å; R111-D113 IonicContact NE-OD2 2.57Å; R111-D113 PolarHBondContact NE-OD2 2.89Å; R111-D113 IonicContact NH2-OD1 2.67Å; R111-D113 PolarHBondContact NH2-OD1 3.45Å; R111-D113 IonicContact NH2-OD2 3.53Å; R111-W157 HydrophobicContact CB-CZ2 3.96Å
112	L	98.9	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.			trans	-144.9	129	167.5	176.6	54.4	0	0	0	108.2	V35 F37 T105 L106 I114 V153 W157 F158	V35-L112 HydrophobicContact CG1-CD1 4.29Å; F37-L112 HydrophobicContact CB-CD1 3.62Å; F37-L112 HydrophobicContact CB-CD2 4.27Å; T105-L112 HydrophobicContact CG2-CD1 4.48Å; L106-L112 HydrophobicContact CD2-CB 4.24Å; L112-I114 WeakPolarHBondContact CD1-O 3.29Å; L112-V153 HydrophobicContact CD2-CB 4.43Å; L112-V153 HydrophobicContact CD2-CG1 3.67Å; L112-V153 HydrophobicContact CD2-CG2 3.98Å; L112-V153 HydrophobicContact CG-CG1 4.44Å; L112-W157 HydrophobicContact CB-CG 4.29Å; L112-W157 PolarHBondContact O-NE1 3.41Å; L112-F158 HydrophobicContact CB-CE1 4.46Å; L112-F158 HydrophobicContact CG-CE1 3.91Å; L112-F158 HydrophobicContact CG-CZ 4.35Å; L112-F158 WeakPolarHBondContact O-CE1 3.3Å
113	D	98.9	Very high	97.9	Very high	29 Å²	29	44.9 Å²	44.9	16%	0.155	24%	0.239	C	C	.	.			trans	-117.4	-34.5	-173.9	-57.3	-81.2	0	0	0	112.1	Q34 V35 R111 G163 N164	Q34-D113 VanDerWaalsContact CA-OD2 3.28Å; Q34-D113 WeakPolarHBondContact CA-OD2 2.86Å; Q34-D113 HydrophobicContact CB-CB 4.01Å; Q34-D113 HydrophobicContact CG-CB 4.28Å; V35-D113 PolarHBondContact N-OD2 2.94Å; V35-D113 PolarHBondContact O-N 2.97Å; R111-D113 IonicContact CZ-OD1 3.34Å; R111-D113 IonicContact CZ-OD2 3.44Å; R111-D113 IonicContact NE-OD1 3.94Å; R111-D113 PolarHBondContact NE-OD1 3.49Å; R111-D113 IonicContact NE-OD2 2.57Å; R111-D113 PolarHBondContact NE-OD2 2.89Å; R111-D113 IonicContact NH2-OD1 2.67Å; R111-D113 PolarHBondContact NH2-OD1 3.45Å; R111-D113 IonicContact NH2-OD2 3.53Å; D113-G163 CarbonylContact O-C 3.59Å; D113-G163 WeakPolarHBondContact O-CA 3.24Å; D113-N164 PolarHBondContact O-N 3.29Å
114	I	99	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.8	-172.9	-55.6	157.4	0	0	0	110.1	L31 V35 A36 F37 F53 L112 I116 N164 A258	L31-I114 HydrophobicContact CD1-CD1 3.9Å; L31-I114 HydrophobicContact CD2-CD1 4.05Å; V35-I114 PolarHBondContact O-N 3.12Å; A36-I114 CarbonylContact C-O 3.35Å; A36-I114 VanDerWaalsContact CA-O 3.3Å; A36-I114 WeakPolarHBondContact CA-O 3.34Å; A36-I114 HydrophobicContact CB-CB 3.91Å; A36-I114 HydrophobicContact CB-CD1 4.39Å; A36-I114 HydrophobicContact CB-CG2 4.37Å; F37-I114 PolarHBondContact N-O 3.32Å; F53-I114 HydrophobicContact CD2-CD1 4.35Å; F53-I114 HydrophobicContact CE2-CD1 4.13Å; F53-I114 HydrophobicContact CE2-CG2 3.92Å; L112-I114 WeakPolarHBondContact CD1-O 3.29Å; I114-I116 HydrophobicContact CG2-CD1 3.69Å; I114-I116 HydrophobicContact CG2-CG1 4.15Å; I114-N164 CarbonylContact C-O 3.5Å; I114-N164 VanDerWaalsContact CA-O 3.31Å; I114-N164 WeakPolarHBondContact CA-O 3.36Å; I114-N164 HydrophobicContact CG1-CB 4.4Å; I114-A258 HydrophobicContact CD1-CB 4.08Å; I114-A258 HydrophobicContact CG1-CB 4.38Å; I114-A258 HydrophobicContact CG2-CB 4Å
115	L	98.9	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.3	168.4	170.7	60.8	0	0	0	109.4	F37 T149 V153 F158 N164 V165 V166	F37-L115 HydrophobicContact CB-CD1 4.49Å; F37-L115 HydrophobicContact CD1-CD1 4.11Å; F37-L115 WeakPolarHBondContact O-CA 3.36Å; L115-T149 HydrophobicContact CD1-CG2 3.68Å; L115-T149 HydrophobicContact CD2-CG2 4.26Å; L115-V153 HydrophobicContact CD1-CG2 4.42Å; L115-V153 HydrophobicContact CD2-CB 4.2Å; L115-V153 HydrophobicContact CD2-CG1 4.45Å; L115-V153 HydrophobicContact CD2-CG2 4.19Å; L115-F158 HydrophobicContact CB-CE2 4.07Å; L115-F158 HydrophobicContact CB-CZ 4.23Å; L115-N164 PolarHBondContact N-O 2.81Å; L115-V165 HydrophobicContact CB-CG2 4.28Å; L115-V165 HydrophobicContact CD2-CG1 4.21Å; L115-V165 HydrophobicContact CD2-CG2 4.29Å; L115-V165 HydrophobicContact CG-CG1 4.38Å; L115-V165 CarbonylContact O-C 3.51Å; L115-V165 WeakPolarHBondContact O-CA 3.34Å; L115-V166 PolarHBondContact O-N 2.91Å
116	I	98.9	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.3	170.5	-50.7	-61.2	0	0	0	108.9	F37 I38 T39 I49 F53 I114 N118 V166 V168	F37-I116 PolarHBondContact O-N 3.39Å; I38-I116 HydrophobicContact CB-CB 4.3Å; I38-I116 HydrophobicContact CG1-CB 4.05Å; I38-I116 HydrophobicContact CG1-CG1 3.93Å; I38-I116 HydrophobicContact CG2-CB 4.05Å; I38-I116 HydrophobicContact CG2-CG2 4.24Å; T39-I116 PolarHBondContact N-O 3.28Å; T39-I116 PolarHBondContact OG1-O 2.66Å; I49-I116 HydrophobicContact CD1-CG2 4.05Å; I49-I116 HydrophobicContact CG2-CG1 4.09Å; I49-I116 HydrophobicContact CG2-CG2 4.35Å; F53-I116 HydrophobicContact CE2-CD1 3.85Å; F53-I116 HydrophobicContact CE2-CG1 4.01Å; F53-I116 HydrophobicContact CZ-CD1 3.88Å; F53-I116 HydrophobicContact CZ-CG1 4.38Å; I114-I116 HydrophobicContact CG2-CD1 3.69Å; I114-I116 HydrophobicContact CG2-CG1 4.15Å; I116-N118 HydrophobicContact CG2-CB 4.05Å; I116-N118 PolarHBondContact O-N 3.2Å; I116-V166 WeakPolarHBondContact CA-O 3.39Å; I116-V166 HydrophobicContact CD1-CB 3.66Å; I116-V166 HydrophobicContact CD1-CG2 3.97Å; I116-V168 HydrophobicContact CG2-CG2 4.38Å
117	N	98.9	Very high	96.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	91.5	172.3	-69.5	-54.9	0	0	0	109.6	T39 T146 S150 V166 N167 V168	T39-N117 WeakPolarHBondContact OG1-CA 3.4Å; N117-T146 HydrophobicContact CB-CG2 3.94Å; N117-S150 PolarHBondContact ND2-OG 3.22Å; N117-V166 PolarHBondContact N-O 3.47Å; N117-N167 WeakPolarHBondContact CB-OD1 3.21Å; N117-N167 PolarHBondContact ND2-OD1 3.39Å; N117-V168 PolarHBondContact O-N 2.79Å
118	N	98.8	Very high	96.4	Very high	22 Å²	22	40.3 Å²	40.3	12%	0.118	25%	0.248	C	C	.	.			trans	-113.9	-18.9	-178.5	159.3	91.7	0	0	0	113.7	T39 G40 G46 I116 A120 V168	T39-N118 CarbonylContact O-C 3.58Å; T39-N118 WeakPolarHBondContact O-CB 3.27Å; T39-N118 PolarHBondContact O-ND2 2.87Å; T39-N118 PolarHBondContact OG1-N 2.92Å; G40-N118 PolarHBondContact O-ND2 3.18Å; G46-N118 WeakPolarHBondContact CA-ND2 3.25Å; G46-N118 PolarHBondContact N-OD1 2.75Å; I116-N118 HydrophobicContact CG2-CB 4.05Å; I116-N118 PolarHBondContact O-N 3.2Å; N118-A120 PolarHBondContact O-N 3.35Å; N118-V168 HydrophobicContact CB-CB 4.28Å; N118-V168 HydrophobicContact CB-CG2 3.73Å
119	A	98.1	Very high	96.2	Very high	19 Å²	19	37.7 Å²	37.7	16%	0.157	24%	0.243	C	C	.	.			trans	-57.3	129.1	177.4	0	0	0	0	0	111.7	T39 V92	T39-A119 PolarHBondContact O-N 3.24Å; T39-A119 PolarHBondContact OG1-N 3.04Å; T39-A119 VanDerWaalsContact OG1-N 3.11Å; V92-A119 HydrophobicContact CG1-CB 4.15Å
120	A	96.9	Very high	96.1	Very high	58 Å²	58	37.6 Å²	37.6	48%	0.479	24%	0.243	S	C	.	.			trans	-153	156.2	-176	0	0	0	0	0	112.3	N118 D142	N118-A120 PolarHBondContact O-N 3.35Å; A120-D142 VanDerWaalsContact CA-OD1 3.24Å; A120-D142 WeakPolarHBondContact CA-OD1 3.32Å; A120-D142 VanDerWaalsContact CB-OD2 3.29Å; A120-D142 WeakPolarHBondContact CB-OD2 3.13Å
121	G	92.6	Very high	96.1	Very high	16 Å²	16	38.4 Å²	38.4	17%	0.165	24%	0.241	C	C	.	.			trans	-123.9	128.1	171.1	0	0	0	0	0	111	V138 D142	G121-V138 WeakPolarHBondContact O-CG1 3.4Å; G121-D142 PolarHBondContact N-OD1 2.56Å
122	N	94.1	Very high	96.1	Very high	58 Å²	58	43.2 Å²	43.2	31%	0.31	27%	0.265	S	S	.	.			trans	-153.3	148.7	179.7	-169	16.7	0	0	0	112.4	Q180 A183 K224	N122-Q180 VanDerWaalsContact CG-NE2 3.28Å; N122-Q180 PolarHBondContact ND2-NE2 2.9Å; N122-Q180 PolarHBondContact OD1-NE2 3.01Å; N122-Q180 PolarHBondContact OD1-OE1 3.33Å; N122-A183 HydrophobicContact CB-CB 4.48Å; N122-A183 WeakPolarHBondContact OD1-CB 3.32Å; N122-K224 PolarHBondContact O-NZ 3.26Å
123	F	92.1	Very high	96	Very high	74 Å²	74	48.4 Å²	48.4	33%	0.325	29%	0.292	S	S	.	.			trans	-161.9	154.6	174.5	55.9	-86.4	0	0	0	109.4	C125 L130 A134 V138 Q180 H182	F123-C125 HydrophobicContact CD2-CB 3.88Å; F123-C125 HydrophobicContact CE2-CB 3.66Å; F123-L130 HydrophobicContact CE2-CD1 3.63Å; F123-L130 HydrophobicContact CZ-CD1 3.61Å; F123-A134 HydrophobicContact CZ-CB 3.94Å; F123-V138 HydrophobicContact CE1-CG2 3.97Å; F123-Q180 PolarHBondContact O-OE1 2.76Å; F123-Q180 VanDerWaalsContact O-OE1 3.06Å; F123-H182 PolarHBondContact O-CE1 2.59Å; F123-H182 VanDerWaalsContact O-CE1 3.26Å; F123-H182 PolarHBondContact O-NE2 3.09Å
124	L	90.3	Very high	96	Very high	72 Å²	72	48 Å²	48	38%	0.377	29%	0.294	S	S	.	.			trans	-78.1	125.5	177.5	-65	168.1	0	0	0	110.1	L179 Q180 K224	L124-L179 HydrophobicContact CB-CB 4.42Å; L124-L179 HydrophobicContact CB-CD1 4.44Å; L124-L179 HydrophobicContact CD2-CB 4.17Å; L124-L179 HydrophobicContact CD2-CD1 4.39Å; L124-Q180 HydrophobicContact CD2-CG 4.22Å; L124-K224 WeakPolarHBondContact CD1-O 3.44Å
125	C	91.1	Very high	96	Very high	13 Å²	13	51.2 Å²	51.2	9%	0.088	31%	0.308	C	S	.	.			trans	-154.7	129.4	175.1	-168.4	0	0	0	0	111.8	F123 A127 L130 L179	F123-C125 HydrophobicContact CD2-CB 3.88Å; F123-C125 HydrophobicContact CE2-CB 3.66Å; C125-A127 PolarHBondContact O-N 2.89Å; C125-L130 HydrophobicContact CB-CD1 4.1Å; C125-L179 PolarHBondContact N-O 3.31Å; C125-L179 CarbonylContact O-C 3.26Å; C125-L179 VanDerWaalsContact O-C 3.26Å; C125-L179 VanDerWaalsContact O-CA 3.23Å; C125-L179 WeakPolarHBondContact O-CA 3.39Å
126	P	92.1	Very high	96	Very high	26 Å²	26	56.6 Å²	56.6	17%	0.169	33%	0.331	C	S	.	.			trans	-55.5	137.5	168.1	-20.3	30.8	0	0	0	110.8	S128 A129 L130 L179 L288	P126-S128 PolarHBondContact O-N 3.32Å; P126-A129 HydrophobicContact CB-CB 4.4Å; P126-A129 PolarHBondContact O-N 3.32Å; P126-L130 PolarHBondContact O-N 3.06Å; P126-L130 VanDerWaalsContact O-N 3.1Å; P126-L179 HydrophobicContact CB-CD2 4.13Å; P126-L179 HydrophobicContact CG-CD2 3.76Å; P126-L288 HydrophobicContact CB-CD2 3.93Å; P126-L288 HydrophobicContact CG-CD2 3.73Å
127	A	94.8	Very high	95.9	Very high	65 Å²	65	58.4 Å²	58.4	54%	0.537	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-56.8	-36.3	-178.2	0	0	0	0	0	112.7	C125 A129 L130 V181	C125-A127 PolarHBondContact O-N 2.89Å; A127-A129 PolarHBondContact O-N 2.9Å; A127-L130 PolarHBondContact O-N 3.43Å; A127-V181 HydrophobicContact CB-CG1 3.88Å
128	S	94.8	Very high	95.9	Very high	123 Å²	123	58.5 Å²	58.5	86%	0.86	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-65.8	-21.4	176.6	53.6	0	0	0	0	114.5	P126	P126-S128 PolarHBondContact O-N 3.32Å
129	A	94.8	Very high	95.9	Very high	42 Å²	42	60.2 Å²	60.2	35%	0.347	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-106.4	-4.1	179.8	0	0	0	0	0	112.9	P126 A127	P126-A129 HydrophobicContact CB-CB 4.4Å; P126-A129 PolarHBondContact O-N 3.32Å; A127-A129 PolarHBondContact O-N 2.9Å
130	L	96.3	Very high	96	Very high	23 Å²	23	61.8 Å²	61.8	12%	0.12	36%	0.355	C	S	.	.			trans	-78.8	119.6	179.1	-175.7	68.5	0	0	0	109.3	F123 C125 P126 A127 A134 F135 V181 H182	F123-L130 HydrophobicContact CE2-CD1 3.63Å; F123-L130 HydrophobicContact CZ-CD1 3.61Å; C125-L130 HydrophobicContact CB-CD1 4.1Å; P126-L130 PolarHBondContact O-N 3.06Å; P126-L130 VanDerWaalsContact O-N 3.1Å; A127-L130 PolarHBondContact O-N 3.43Å; L130-A134 HydrophobicContact CD1-CB 3.7Å; L130-A134 HydrophobicContact CG-CB 4.46Å; L130-F135 HydrophobicContact CD2-CB 3.8Å; L130-F135 HydrophobicContact CD2-CD2 3.79Å; L130-F135 HydrophobicContact CD2-CG 4.29Å; L130-F135 HydrophobicContact CG-CB 4.22Å; L130-V181 HydrophobicContact CD2-CG1 3.78Å; L130-H182 HydrophobicContact CD2-CB 4.03Å; L130-H182 WeakPolarHBondContact CD2-ND1 3.02Å
131	S	98.3	Very high	96	Very high	68 Å²	68	59.9 Å²	59.9	48%	0.476	34%	0.337	S	S	.	.			trans	-69.4	151.8	176.4	74.9	0	0	0	0	111.1	N133 A134 F135	S131-N133 PolarHBondContact O-N 3.37Å; S131-A134 PolarHBondContact O-N 3.3Å; S131-A134 VanDerWaalsContact OG-CB 3.26Å; S131-A134 WeakPolarHBondContact OG-CB 3.2Å; S131-A134 PolarHBondContact OG-N 2.94Å; S131-A134 VanDerWaalsContact OG-N 3.13Å; S131-F135 PolarHBondContact O-N 3.25Å
132	F	98.5	Very high	96.3	Very high	199 Å²	199	59.2 Å²	59.2	87%	0.873	33%	0.33	S	S	*	.	H	α-helix	trans	-53	-41.5	175	-59.5	-64.6	0	0	0	112.2	K136	F132-K136 VanDerWaalsContact O-CB 3.31Å; F132-K136 WeakPolarHBondContact O-CB 3.48Å; F132-K136 PolarHBondContact O-N 3.49Å
133	N	98.5	Very high	96.5	Very high	108 Å²	108	57.7 Å²	57.7	58%	0.578	32%	0.322	S	S	*	.	H	α-helix	trans	-67.1	-37.8	178.1	-173	60.2	0	0	0	112.5	S131 K136 T137	S131-N133 PolarHBondContact O-N 3.37Å; N133-K136 PolarHBondContact O-N 3.13Å; N133-T137 WeakPolarHBondContact O-CB 3.42Å; N133-T137 PolarHBondContact O-N 3Å; N133-T137 PolarHBondContact O-OG1 2.82Å
134	A	98	Very high	96.9	Very high	22 Å²	22	57.7 Å²	57.7	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-68	-41.7	179.1	0	0	0	0	0	111.5	F123 L130 S131 V138	F123-A134 HydrophobicContact CZ-CB 3.94Å; L130-A134 HydrophobicContact CD1-CB 3.7Å; L130-A134 HydrophobicContact CG-CB 4.46Å; S131-A134 PolarHBondContact O-N 3.3Å; S131-A134 VanDerWaalsContact OG-CB 3.26Å; S131-A134 WeakPolarHBondContact OG-CB 3.2Å; S131-A134 PolarHBondContact OG-N 2.94Å; S131-A134 VanDerWaalsContact OG-N 3.13Å; A134-V138 PolarHBondContact O-N 3.4Å
135	F	98.6	Very high	97.3	Very high	67 Å²	67	54.3 Å²	54.3	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-59.5	-52.4	171	-177	-92.6	0	0	0	111.1	L130 S131 T137 V138 L139 V181 H182	L130-F135 HydrophobicContact CD2-CB 3.8Å; L130-F135 HydrophobicContact CD2-CD2 3.79Å; L130-F135 HydrophobicContact CD2-CG 4.29Å; L130-F135 HydrophobicContact CG-CB 4.22Å; S131-F135 PolarHBondContact O-N 3.25Å; F135-T137 VanDerWaalsContact C-N 3.33Å; F135-T137 PolarHBondContact O-N 3.3Å; F135-V138 PolarHBondContact O-N 2.76Å; F135-L139 HydrophobicContact CD1-CD1 3.99Å; F135-L139 HydrophobicContact CD1-CD2 4.5Å; F135-L139 HydrophobicContact CD2-CD1 4.44Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CD2 3.73Å; F135-L139 HydrophobicContact CE1-CG 4.35Å; F135-L139 HydrophobicContact CE2-CD1 4.11Å; F135-L139 HydrophobicContact CG-CD1 4.39Å; F135-L139 HydrophobicContact CZ-CD1 3.68Å; F135-L139 HydrophobicContact CZ-CD2 4.19Å; F135-L139 WeakPolarHBondContact O-CD1 3.23Å; F135-L139 PolarHBondContact O-N 3.31Å; F135-V181 HydrophobicContact CD2-CG1 4.49Å; F135-V181 HydrophobicContact CE2-CG2 4.45Å; F135-H182 HydrophobicContact CD2-CB 3.77Å; F135-H182 HydrophobicContact CE2-CB 4.28Å
136	K	98.6	Very high	97.6	Very high	113 Å²	113	53.9 Å²	53.9	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-55.3	-45.8	178.6	178	178.3	167	-179.2	0	112.4	F132 N133 V138 L139 E140	F132-K136 VanDerWaalsContact O-CB 3.31Å; F132-K136 WeakPolarHBondContact O-CB 3.48Å; F132-K136 PolarHBondContact O-N 3.49Å; N133-K136 PolarHBondContact O-N 3.13Å; K136-V138 VanDerWaalsContact C-N 3.29Å; K136-V138 PolarHBondContact O-N 3.13Å; K136-L139 PolarHBondContact O-N 3.36Å; K136-E140 WeakPolarHBondContact CE-OE1 3.49Å; K136-E140 HydrophobicContact CG-CG 4.23Å; K136-E140 IonicContact NZ-OE1 2.65Å; K136-E140 WeakPolarHBondContact O-CG 3.31Å; K136-E140 PolarHBondContact O-N 2.99Å
137	T	98.6	Very high	98	Very high	38 Å²	38	56.5 Å²	56.5	23%	0.233	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-39.5	-178.1	-62.2	0	0	0	0	112	N133 F135 E140 I141	N133-T137 WeakPolarHBondContact O-CB 3.42Å; N133-T137 PolarHBondContact O-N 3Å; N133-T137 PolarHBondContact O-OG1 2.82Å; F135-T137 VanDerWaalsContact C-N 3.33Å; F135-T137 PolarHBondContact O-N 3.3Å; T137-E140 PolarHBondContact O-N 3.47Å; T137-I141 HydrophobicContact CG2-CD1 3.89Å; T137-I141 VanDerWaalsContact O-CG1 3.29Å; T137-I141 WeakPolarHBondContact O-CG1 3.38Å; T137-I141 PolarHBondContact O-N 3.11Å
138	V	98.6	Very high	98.2	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-44.6	177.6	171.8	0	0	0	0	110.8	G121 F123 A134 F135 K136 E140 I141 D142 H182 A186	G121-V138 WeakPolarHBondContact O-CG1 3.4Å; F123-V138 HydrophobicContact CE1-CG2 3.97Å; A134-V138 PolarHBondContact O-N 3.4Å; F135-V138 PolarHBondContact O-N 2.76Å; K136-V138 VanDerWaalsContact C-N 3.29Å; K136-V138 PolarHBondContact O-N 3.13Å; V138-E140 VanDerWaalsContact C-N 3.32Å; V138-E140 PolarHBondContact O-N 3.03Å; V138-I141 PolarHBondContact O-N 3.48Å; V138-D142 WeakPolarHBondContact O-CB 3.41Å; V138-D142 PolarHBondContact O-N 3.46Å; V138-H182 HydrophobicContact CB-CB 3.98Å; V138-H182 HydrophobicContact CG1-CB 4.02Å; V138-H182 HydrophobicContact CG2-CB 4.16Å; V138-A186 HydrophobicContact CG1-CB 4.15Å
139	L	98.8	Very high	98.4	Very high	57 Å²	57	48.3 Å²	48.3	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-38.5	175.7	-87	70.7	0	0	0	112.1	F135 K136 T143 L144 A186	F135-L139 HydrophobicContact CD1-CD1 3.99Å; F135-L139 HydrophobicContact CD1-CD2 4.5Å; F135-L139 HydrophobicContact CD2-CD1 4.44Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CD2 3.73Å; F135-L139 HydrophobicContact CE1-CG 4.35Å; F135-L139 HydrophobicContact CE2-CD1 4.11Å; F135-L139 HydrophobicContact CG-CD1 4.39Å; F135-L139 HydrophobicContact CZ-CD1 3.68Å; F135-L139 HydrophobicContact CZ-CD2 4.19Å; F135-L139 WeakPolarHBondContact O-CD1 3.23Å; F135-L139 PolarHBondContact O-N 3.31Å; K136-L139 PolarHBondContact O-N 3.36Å; L139-T143 WeakPolarHBondContact O-CA 3.4Å; L139-T143 VanDerWaalsContact O-CB 3.3Å; L139-T143 WeakPolarHBondContact O-CB 3.25Å; L139-T143 PolarHBondContact O-N 3.43Å; L139-L144 PolarHBondContact O-N 2.93Å; L139-A186 HydrophobicContact CD1-CB 4.29Å; L139-A186 HydrophobicContact CG-CB 4.38Å
140	E	98.7	Very high	98.6	Very high	52 Å²	52	46.3 Å²	46.3	24%	0.243	24%	0.235	C	C	.	.	I	π-helix	trans	-62.7	-41.7	176.4	-76.4	-178.2	163.3	0	0	112.1	R93 K136 T137 V138 L144 G145	R93-E140 HydrophobicContact CG-CB 4.1Å; R93-E140 WeakPolarHBondContact CG-O 3.3Å; K136-E140 WeakPolarHBondContact CE-OE1 3.49Å; K136-E140 HydrophobicContact CG-CG 4.23Å; K136-E140 IonicContact NZ-OE1 2.65Å; K136-E140 WeakPolarHBondContact O-CG 3.31Å; K136-E140 PolarHBondContact O-N 2.99Å; T137-E140 PolarHBondContact O-N 3.47Å; V138-E140 VanDerWaalsContact C-N 3.32Å; V138-E140 PolarHBondContact O-N 3.03Å; E140-L144 WeakPolarHBondContact O-CB 3.48Å; E140-G145 PolarHBondContact O-N 2.71Å
141	I	98.6	Very high	98.7	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.092	25%	0.247	C	C	.	.	I	π-helix	trans	-73.5	-55.2	179.7	-64.7	166.9	0	0	0	110.3	V92 R93 T137 V138 G145	V92-I141 HydrophobicContact CG2-CG2 4.4Å; R93-I141 HydrophobicContact CG-CG1 4.37Å; T137-I141 HydrophobicContact CG2-CD1 3.89Å; T137-I141 VanDerWaalsContact O-CG1 3.29Å; T137-I141 WeakPolarHBondContact O-CG1 3.38Å; T137-I141 PolarHBondContact O-N 3.11Å; V138-I141 PolarHBondContact O-N 3.48Å; I141-G145 VanDerWaalsContact O-CA 3.29Å; I141-G145 WeakPolarHBondContact O-CA 3.44Å; I141-G145 PolarHBondContact O-N 3.01Å
142	D	98.6	Very high	98.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.011	23%	0.228	C	C	.	.	I	π-helix	trans	-80.5	-43.5	-167	-79	57.2	0	0	0	112.4	A120 G121 V138 T146 A186 K187 N190	A120-D142 VanDerWaalsContact CA-OD1 3.24Å; A120-D142 WeakPolarHBondContact CA-OD1 3.32Å; A120-D142 VanDerWaalsContact CB-OD2 3.29Å; A120-D142 WeakPolarHBondContact CB-OD2 3.13Å; G121-D142 PolarHBondContact N-OD1 2.56Å; V138-D142 WeakPolarHBondContact O-CB 3.41Å; V138-D142 PolarHBondContact O-N 3.46Å; D142-T146 VanDerWaalsContact O-CB 3.23Å; D142-T146 WeakPolarHBondContact O-CB 3.26Å; D142-T146 PolarHBondContact O-OG1 3.01Å; D142-A186 HydrophobicContact CB-CB 3.72Å; D142-K187 WeakPolarHBondContact OD2-CE 3.5Å; D142-K187 IonicContact OD2-NZ 3.33Å; D142-K187 PolarHBondContact OD2-NZ 3.34Å; D142-N190 PolarHBondContact O-ND2 2.97Å; D142-N190 PolarHBondContact O-OD1 2.98Å
143	T	98.8	Very high	98.7	Very high	26 Å²	26	37.2 Å²	37.2	16%	0.16	19%	0.186	C	C	.	.	I	π-helix	trans	-92.3	-59.8	-175.6	-51.8	0	0	0	0	111.1	L139 G145 T146 F147 A186 A189 N190 M193	L139-T143 WeakPolarHBondContact O-CA 3.4Å; L139-T143 VanDerWaalsContact O-CB 3.3Å; L139-T143 WeakPolarHBondContact O-CB 3.25Å; L139-T143 PolarHBondContact O-N 3.43Å; T143-G145 VanDerWaalsContact C-N 3.31Å; T143-G145 PolarHBondContact O-N 3.03Å; T143-T146 PolarHBondContact O-N 2.85Å; T143-F147 PolarHBondContact O-N 3.44Å; T143-A186 VanDerWaalsContact OG1-CA 3.26Å; T143-A186 WeakPolarHBondContact OG1-CA 3.31Å; T143-A186 WeakPolarHBondContact OG1-CB 3.34Å; T143-A186 PolarHBondContact OG1-O 3.45Å; T143-A186 VanDerWaalsContact OG1-O 3.05Å; T143-A189 HydrophobicContact CG2-CB 3.58Å; T143-N190 WeakPolarHBondContact CA-OD1 3.3Å; T143-M193 HydrophobicContact CG2-CE 3.92Å
144	L	98.8	Very high	98.8	Very high	75 Å²	75	33.7 Å²	33.7	39%	0.393	17%	0.166	S	C	.	.	I	π-helix	trans	-64.8	-39.1	-179.4	-178.7	64.2	0	0	0	110.8	L139 E140 F147 N148	L139-L144 PolarHBondContact O-N 2.93Å; E140-L144 WeakPolarHBondContact O-CB 3.48Å; L144-F147 HydrophobicContact CD1-CD1 4.48Å; L144-F147 PolarHBondContact O-N 2.95Å; L144-N148 WeakPolarHBondContact CD1-OD1 3.44Å; L144-N148 VanDerWaalsContact O-CB 3.32Å; L144-N148 WeakPolarHBondContact O-CB 3.45Å; L144-N148 PolarHBondContact O-N 2.65Å; L144-N148 PolarHBondContact O-ND2 3.08Å; L144-N148 PolarHBondContact O-OD1 3.2Å
145	G	98.9	Very high	98.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-42.7	176.2	0	0	0	0	0	114.3	V92 E140 I141 T143 T149	V92-G145 WeakPolarHBondContact O-CA 3.35Å; E140-G145 PolarHBondContact O-N 2.71Å; I141-G145 VanDerWaalsContact O-CA 3.29Å; I141-G145 WeakPolarHBondContact O-CA 3.44Å; I141-G145 PolarHBondContact O-N 3.01Å; T143-G145 VanDerWaalsContact C-N 3.31Å; T143-G145 PolarHBondContact O-N 3.03Å; G145-T149 WeakPolarHBondContact O-CB 3.34Å; G145-T149 PolarHBondContact O-N 2.79Å; G145-T149 PolarHBondContact O-OG1 3.24Å
146	T	98.9	Very high	98.8	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-46.1	173.6	-66	0	0	0	0	111.1	N117 D142 T143 S150 N167 N190 M193	N117-T146 HydrophobicContact CB-CG2 3.94Å; D142-T146 VanDerWaalsContact O-CB 3.23Å; D142-T146 WeakPolarHBondContact O-CB 3.26Å; D142-T146 PolarHBondContact O-OG1 3.01Å; T143-T146 PolarHBondContact O-N 2.85Å; T146-S150 VanDerWaalsContact O-CB 3.3Å; T146-S150 WeakPolarHBondContact O-CB 3.33Å; T146-S150 PolarHBondContact O-N 2.67Å; T146-S150 PolarHBondContact O-OG 3.3Å; T146-N167 WeakPolarHBondContact CG2-OD1 3.39Å; T146-N190 PolarHBondContact OG1-ND2 3.5Å; T146-M193 HydrophobicContact CG2-SD 3.93Å
147	F	98.9	Very high	98.8	Very high	81 Å²	81	35.2 Å²	35.2	36%	0.355	17%	0.168	S	C	.	.	H	α-helix	trans	-61.5	-51	176.8	176.5	-105.7	0	0	0	111.9	T143 L144 T149 S150 K151 M193	T143-F147 PolarHBondContact O-N 3.44Å; L144-F147 HydrophobicContact CD1-CD1 4.48Å; L144-F147 PolarHBondContact O-N 2.95Å; F147-T149 VanDerWaalsContact C-N 3.31Å; F147-T149 PolarHBondContact O-N 3.3Å; F147-S150 PolarHBondContact O-N 2.82Å; F147-K151 HydrophobicContact CE1-CD 3.95Å; F147-K151 HydrophobicContact CZ-CD 3.81Å; F147-K151 VanDerWaalsContact O-CB 3.27Å; F147-K151 WeakPolarHBondContact O-CB 3.14Å; F147-K151 PolarHBondContact O-N 2.94Å; F147-M193 HydrophobicContact CB-CE 3.72Å; F147-M193 HydrophobicContact CB-SD 3.84Å; F147-M193 HydrophobicContact CD2-SD 4.29Å
148	N	98.9	Very high	98.8	Very high	16 Å²	16	33.4 Å²	33.4	9%	0.086	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-47.6	-179	-72.6	-13.8	0	0	0	111.1	V92 P95 I98 L144 K151 V152	V92-N148 PolarHBondContact O-ND2 3.3Å; P95-N148 HydrophobicContact CG-CB 4.47Å; I98-N148 HydrophobicContact CD1-CB 3.68Å; L144-N148 WeakPolarHBondContact CD1-OD1 3.44Å; L144-N148 VanDerWaalsContact O-CB 3.32Å; L144-N148 WeakPolarHBondContact O-CB 3.45Å; L144-N148 PolarHBondContact O-N 2.65Å; L144-N148 PolarHBondContact O-ND2 3.08Å; L144-N148 PolarHBondContact O-OD1 3.2Å; N148-K151 PolarHBondContact O-N 2.78Å; N148-V152 WeakPolarHBondContact O-CB 3.35Å; N148-V152 VanDerWaalsContact O-CG2 3.25Å; N148-V152 WeakPolarHBondContact O-CG2 3.36Å; N148-V152 PolarHBondContact O-N 2.86Å
149	T	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.1	-44.5	-176.9	-53.1	0	0	0	0	110.9	F37 T39 I98 L115 G145 F147 K151 V152 V153	F37-T149 HydrophobicContact CE1-CG2 4.43Å; T39-T149 HydrophobicContact CG2-CG2 3.83Å; I98-T149 HydrophobicContact CG2-CG2 4.16Å; L115-T149 HydrophobicContact CD1-CG2 3.68Å; L115-T149 HydrophobicContact CD2-CG2 4.26Å; G145-T149 WeakPolarHBondContact O-CB 3.34Å; G145-T149 PolarHBondContact O-N 2.79Å; G145-T149 PolarHBondContact O-OG1 3.24Å; F147-T149 VanDerWaalsContact C-N 3.31Å; F147-T149 PolarHBondContact O-N 3.3Å; T149-K151 PolarHBondContact O-N 3.36Å; T149-V152 PolarHBondContact O-N 3.27Å; T149-V153 HydrophobicContact CG2-CG2 4.48Å; T149-V153 WeakPolarHBondContact O-CB 3.2Å; T149-V153 VanDerWaalsContact O-CG2 3.31Å; T149-V153 WeakPolarHBondContact O-CG2 3.32Å; T149-V153 PolarHBondContact O-N 2.8Å
150	S	98.9	Very high	98.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-45.9	176.6	-53.7	0	0	0	0	111.8	N117 T146 F147 Y154 W201	N117-S150 PolarHBondContact ND2-OG 3.22Å; T146-S150 VanDerWaalsContact O-CB 3.3Å; T146-S150 WeakPolarHBondContact O-CB 3.33Å; T146-S150 PolarHBondContact O-N 2.67Å; T146-S150 PolarHBondContact O-OG 3.3Å; F147-S150 PolarHBondContact O-N 2.82Å; S150-Y154 VanDerWaalsContact O-CB 3.26Å; S150-Y154 WeakPolarHBondContact O-CB 3.47Å; S150-Y154 PolarHBondContact O-N 2.84Å; S150-W201 WeakPolarHBondContact O-CH2 3.42Å
151	K	98.9	Very high	98.8	Very high	85 Å²	85	44.4 Å²	44.4	37%	0.37	21%	0.209	S	C	.	.	H	α-helix	trans	-62.7	-47.5	180	178.8	171.7	179.5	168.8	0	111.9	F147 N148 T149 Y154 E155	F147-K151 HydrophobicContact CE1-CD 3.95Å; F147-K151 HydrophobicContact CZ-CD 3.81Å; F147-K151 VanDerWaalsContact O-CB 3.27Å; F147-K151 WeakPolarHBondContact O-CB 3.14Å; F147-K151 PolarHBondContact O-N 2.94Å; N148-K151 PolarHBondContact O-N 2.78Å; T149-K151 PolarHBondContact O-N 3.36Å; K151-Y154 WeakPolarHBondContact O-CB 3.31Å; K151-Y154 PolarHBondContact O-N 2.9Å; K151-E155 WeakPolarHBondContact CE-OE1 3.21Å; K151-E155 HydrophobicContact CG-CG 4.41Å; K151-E155 IonicContact NZ-OE1 2.74Å; K151-E155 WeakPolarHBondContact O-CG 3.44Å; K151-E155 PolarHBondContact O-N 3.45Å
152	V	98.9	Very high	98.8	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-44.6	-179.6	170.5	0	0	0	0	111.3	I98 A99 V102 N148 T149 Y154 E155 K156	I98-V152 HydrophobicContact CB-CG1 4.39Å; I98-V152 HydrophobicContact CB-CG2 4.46Å; I98-V152 HydrophobicContact CG2-CB 3.84Å; I98-V152 HydrophobicContact CG2-CG1 3.77Å; I98-V152 HydrophobicContact CG2-CG2 4.27Å; A99-V152 HydrophobicContact CB-CG1 4.06Å; V102-V152 HydrophobicContact CB-CG1 4.49Å; V102-V152 HydrophobicContact CG2-CG1 4.12Å; N148-V152 WeakPolarHBondContact O-CB 3.35Å; N148-V152 VanDerWaalsContact O-CG2 3.25Å; N148-V152 WeakPolarHBondContact O-CG2 3.36Å; N148-V152 PolarHBondContact O-N 2.86Å; T149-V152 PolarHBondContact O-N 3.27Å; V152-Y154 VanDerWaalsContact C-N 3.29Å; V152-Y154 PolarHBondContact O-N 3.38Å; V152-E155 PolarHBondContact O-N 2.76Å; V152-K156 HydrophobicContact CG1-CD 4.03Å; V152-K156 WeakPolarHBondContact O-CB 3.28Å; V152-K156 PolarHBondContact O-N 2.93Å
153	V	98.9	Very high	98.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-39.5	175.7	168.2	0	0	0	0	111.1	V102 L112 L115 T149 W157 F158	V102-V153 HydrophobicContact CG2-CG2 3.79Å; L112-V153 HydrophobicContact CD2-CB 4.43Å; L112-V153 HydrophobicContact CD2-CG1 3.67Å; L112-V153 HydrophobicContact CD2-CG2 3.98Å; L112-V153 HydrophobicContact CG-CG1 4.44Å; L115-V153 HydrophobicContact CD1-CG2 4.42Å; L115-V153 HydrophobicContact CD2-CB 4.2Å; L115-V153 HydrophobicContact CD2-CG1 4.45Å; L115-V153 HydrophobicContact CD2-CG2 4.19Å; T149-V153 HydrophobicContact CG2-CG2 4.48Å; T149-V153 WeakPolarHBondContact O-CB 3.2Å; T149-V153 VanDerWaalsContact O-CG2 3.31Å; T149-V153 WeakPolarHBondContact O-CG2 3.32Å; T149-V153 PolarHBondContact O-N 2.8Å; V153-W157 PolarHBondContact O-N 3.05Å; V153-F158 HydrophobicContact CG1-CD1 3.91Å; V153-F158 HydrophobicContact CG1-CD2 3.7Å; V153-F158 HydrophobicContact CG1-CE1 3.81Å; V153-F158 HydrophobicContact CG1-CE2 3.61Å; V153-F158 HydrophobicContact CG1-CG 3.84Å; V153-F158 HydrophobicContact CG1-CZ 3.66Å; V153-F158 PolarHBondContact O-N 2.92Å; V153-F158 VanDerWaalsContact O-N 3.08Å
154	Y	98.9	Very high	98.9	Very high	35 Å²	35	43.9 Å²	43.9	14%	0.137	21%	0.212	C	C	.	.	I	π-helix	trans	-62.6	-53.6	176.2	-178.3	-98	0	0	0	112.4	S150 K151 V152 K156 W157 F158 K159 W201 S204 V206	S150-Y154 VanDerWaalsContact O-CB 3.26Å; S150-Y154 WeakPolarHBondContact O-CB 3.47Å; S150-Y154 PolarHBondContact O-N 2.84Å; K151-Y154 WeakPolarHBondContact O-CB 3.31Å; K151-Y154 PolarHBondContact O-N 2.9Å; V152-Y154 VanDerWaalsContact C-N 3.29Å; V152-Y154 PolarHBondContact O-N 3.38Å; Y154-K156 VanDerWaalsContact C-N 3.32Å; Y154-K156 PolarHBondContact O-N 2.98Å; Y154-W157 PolarHBondContact O-N 3.32Å; Y154-F158 HydrophobicContact CD2-CB 4.12Å; Y154-F158 PolarHBondContact O-N 3.21Å; Y154-K159 HydrophobicContact CD1-CB 4.17Å; Y154-K159 HydrophobicContact CD2-CB 4.4Å; Y154-K159 HydrophobicContact CE1-CB 3.85Å; Y154-K159 HydrophobicContact CE1-CD 4.28Å; Y154-K159 HydrophobicContact CE1-CG 4Å; Y154-K159 HydrophobicContact CE2-CB 4.08Å; Y154-K159 HydrophobicContact CG-CB 4.45Å; Y154-K159 VanDerWaalsContact O-CB 3.24Å; Y154-K159 WeakPolarHBondContact O-CB 3.3Å; Y154-K159 PolarHBondContact O-N 2.61Å; Y154-W201 AromaticContact CD1-CE2 4Å; Y154-W201 HydrophobicContact CD1-CZ2 4.19Å; Y154-W201 HydrophobicContact CD2-CB 4.23Å; Y154-W201 AromaticContact CD2-CD2 3.53Å; Y154-W201 HydrophobicContact CD2-CD2 3.53Å; Y154-W201 AromaticContact CD2-CE2 3.81Å; Y154-W201 AromaticContact CD2-CE3 3.84Å; Y154-W201 HydrophobicContact CD2-CE3 3.84Å; Y154-W201 AromaticContact CD2-CG 3.74Å; Y154-W201 HydrophobicContact CD2-CG 3.74Å; Y154-W201 HydrophobicContact CD2-CZ2 4.34Å; Y154-W201 HydrophobicContact CD2-CZ3 4.36Å; Y154-W201 AromaticContact CE1-NE1 3.88Å; Y154-W201 HydrophobicContact CE2-CB 3.73Å; Y154-W201 AromaticContact CE2-CD1 3.61Å; Y154-W201 AromaticContact CE2-CD2 3.79Å; Y154-W201 HydrophobicContact CE2-CD2 3.79Å; Y154-W201 HydrophobicContact CE2-CE3 4.46Å; Y154-W201 AromaticContact CE2-CG 3.45Å; Y154-W201 HydrophobicContact CE2-CG 3.45Å; Y154-W201 VanDerWaalsContact CE2-CG 3.45Å; Y154-W201 AromaticContact CG-CD2 3.95Å; Y154-W201 HydrophobicContact CG-CD2 3.95Å; Y154-W201 AromaticContact CG-CE2 3.73Å; Y154-W201 HydrophobicContact CG-CE3 4.27Å; Y154-W201 HydrophobicContact CG-CG 4.43Å; Y154-W201 HydrophobicContact CG-CH2 4.22Å; Y154-W201 AromaticContact CG-CZ2 3.88Å; Y154-W201 HydrophobicContact CG-CZ2 3.88Å; Y154-W201 HydrophobicContact CG-CZ3 4.4Å; Y154-W201 AromaticContact CZ-CD1 3.56Å; Y154-W201 AromaticContact CZ-CG 3.91Å; Y154-W201 AromaticContact CZ-NE1 3.87Å; Y154-S204 PolarHBondContact OH-OG 3.43Å; Y154-V206 HydrophobicContact CD2-CG2 4.17Å; Y154-V206 HydrophobicContact CE2-CG2 4.09Å
155	E	98.8	Very high	98.9	Very high	114 Å²	114	40.3 Å²	40.3	53%	0.533	19%	0.193	S	C	.	.	I	π-helix	trans	-63.8	-35.6	-177.9	-72.6	176.5	165.2	0	0	113	K151 V152	K151-E155 WeakPolarHBondContact CE-OE1 3.21Å; K151-E155 HydrophobicContact CG-CG 4.41Å; K151-E155 IonicContact NZ-OE1 2.74Å; K151-E155 WeakPolarHBondContact O-CG 3.44Å; K151-E155 PolarHBondContact O-N 3.45Å; V152-E155 PolarHBondContact O-N 2.76Å
156	K	98.8	Very high	98.9	Very high	71 Å²	71	40.3 Å²	40.3	31%	0.309	19%	0.193	S	C	.	.	I	π-helix	trans	-85.1	-23.7	-178.5	-74.3	-174.7	167.9	-74.1	0	114.3	A99 V102 D103 V152 Y154	A99-K156 WeakPolarHBondContact O-CE 3.28Å; V102-K156 HydrophobicContact CB-CD 3.89Å; V102-K156 HydrophobicContact CG1-CB 3.86Å; V102-K156 HydrophobicContact CG1-CD 3.69Å; V102-K156 HydrophobicContact CG1-CG 4.42Å; D103-K156 WeakPolarHBondContact OD1-CE 3.33Å; D103-K156 IonicContact OD1-NZ 2.66Å; D103-K156 PolarHBondContact OD1-NZ 3.48Å; D103-K156 IonicContact OD2-NZ 3.38Å; D103-K156 PolarHBondContact OD2-NZ 2.95Å; V152-K156 HydrophobicContact CG1-CD 4.03Å; V152-K156 WeakPolarHBondContact O-CB 3.28Å; V152-K156 PolarHBondContact O-N 2.93Å; Y154-K156 VanDerWaalsContact C-N 3.32Å; Y154-K156 PolarHBondContact O-N 2.98Å
157	W	98.9	Very high	98.9	Very high	49 Å²	49	40.1 Å²	40.1	19%	0.186	19%	0.192	C	C	.	.	I	π-helix	trans	-148.8	-58.6	-173.2	-166.2	-107	0	0	0	114.7	L106 G110 R111 L112 V153 Y154 K159 D160 H161	L106-W157 HydrophobicContact CD1-CE3 4.03Å; L106-W157 HydrophobicContact CD2-CB 4.42Å; L106-W157 HydrophobicContact CD2-CD2 3.63Å; L106-W157 HydrophobicContact CD2-CE3 3.52Å; L106-W157 HydrophobicContact CD2-CG 4.02Å; L106-W157 HydrophobicContact CD2-CZ3 4Å; L106-W157 HydrophobicContact CG-CE3 4.42Å; G110-W157 WeakPolarHBondContact O-CH2 3.48Å; R111-W157 HydrophobicContact CB-CZ2 3.96Å; L112-W157 HydrophobicContact CB-CG 4.29Å; L112-W157 PolarHBondContact O-NE1 3.41Å; V153-W157 PolarHBondContact O-N 3.05Å; Y154-W157 PolarHBondContact O-N 3.32Å; W157-K159 VanDerWaalsContact C-N 3.26Å; W157-K159 PolarHBondContact O-N 3Å; W157-K159 VanDerWaalsContact O-N 3.17Å; W157-D160 PolarHBondContact O-N 3.18Å; W157-D160 VanDerWaalsContact O-N 3.17Å; W157-H161 HydrophobicContact CD2-CB 4.44Å; W157-H161 AromaticContact CD2-CE1 3.93Å; W157-H161 AromaticContact CD2-CG 3.93Å; W157-H161 AromaticContact CD2-ND1 3.51Å; W157-H161 AromaticContact CE2-CG 3.6Å; W157-H161 AromaticContact CE2-ND1 3.69Å; W157-H161 AromaticContact CE3-CE1 3.62Å; W157-H161 AromaticContact CE3-ND1 3.67Å; W157-H161 AromaticContact CH2-CD2 3.92Å; W157-H161 AromaticContact CH2-CE1 3.85Å; W157-H161 AromaticContact CH2-NE2 3.67Å; W157-H161 HydrophobicContact CZ2-CB 4.35Å; W157-H161 AromaticContact CZ2-CD2 3.71Å; W157-H161 AromaticContact CZ2-CG 3.77Å; W157-H161 AromaticContact CZ2-NE2 3.95Å; W157-H161 AromaticContact CZ3-CE1 3.58Å; W157-H161 AromaticContact CZ3-NE2 3.84Å; W157-H161 AromaticContact NE1-CG 3.9Å; W157-H161 PolarHBondContact O-N 2.94Å; W157-H161 PolarHBondContact O-ND1 2.75Å
158	F	98.9	Very high	98.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-65.5	-26	-167.5	-67.7	-9.1	0	0	0	114.3	L112 L115 V153 Y154 D160 H161 G162 V165 V206	L112-F158 HydrophobicContact CB-CE1 4.46Å; L112-F158 HydrophobicContact CG-CE1 3.91Å; L112-F158 HydrophobicContact CG-CZ 4.35Å; L112-F158 WeakPolarHBondContact O-CE1 3.3Å; L115-F158 HydrophobicContact CB-CE2 4.07Å; L115-F158 HydrophobicContact CB-CZ 4.23Å; V153-F158 HydrophobicContact CG1-CD1 3.91Å; V153-F158 HydrophobicContact CG1-CD2 3.7Å; V153-F158 HydrophobicContact CG1-CE1 3.81Å; V153-F158 HydrophobicContact CG1-CE2 3.61Å; V153-F158 HydrophobicContact CG1-CG 3.84Å; V153-F158 HydrophobicContact CG1-CZ 3.66Å; V153-F158 PolarHBondContact O-N 2.92Å; V153-F158 VanDerWaalsContact O-N 3.08Å; Y154-F158 HydrophobicContact CD2-CB 4.12Å; Y154-F158 PolarHBondContact O-N 3.21Å; F158-D160 PolarHBondContact O-N 2.79Å; F158-H161 PolarHBondContact O-N 2.97Å; F158-G162 WeakPolarHBondContact CA-O 3.44Å; F158-G162 WeakPolarHBondContact CD1-O 3.42Å; F158-G162 WeakPolarHBondContact O-CA 3.44Å; F158-G162 PolarHBondContact O-N 3.05Å; F158-V165 HydrophobicContact CD2-CG2 4.18Å; F158-V165 HydrophobicContact CE2-CG2 3.81Å; F158-V206 HydrophobicContact CB-CG2 3.76Å; F158-V206 HydrophobicContact CD2-CG1 4.05Å
159	K	98.8	Very high	98.8	Very high	112 Å²	112	36.2 Å²	36.2	49%	0.487	18%	0.175	S	C	.	.	H	α-helix	trans	-54.7	-38.3	176.8	-179	-176.8	174.3	-170.4	0	112.4	Y154 W157 S204	Y154-K159 HydrophobicContact CD1-CB 4.17Å; Y154-K159 HydrophobicContact CD2-CB 4.4Å; Y154-K159 HydrophobicContact CE1-CB 3.85Å; Y154-K159 HydrophobicContact CE1-CD 4.28Å; Y154-K159 HydrophobicContact CE1-CG 4Å; Y154-K159 HydrophobicContact CE2-CB 4.08Å; Y154-K159 HydrophobicContact CG-CB 4.45Å; Y154-K159 VanDerWaalsContact O-CB 3.24Å; Y154-K159 WeakPolarHBondContact O-CB 3.3Å; Y154-K159 PolarHBondContact O-N 2.61Å; W157-K159 VanDerWaalsContact C-N 3.26Å; W157-K159 PolarHBondContact O-N 3Å; W157-K159 VanDerWaalsContact O-N 3.17Å; K159-S204 WeakPolarHBondContact O-CB 3.42Å; K159-S204 PolarHBondContact O-OG 3.04Å
160	D	98.8	Very high	98.7	Very high	121 Å²	121	37 Å²	37	65%	0.647	18%	0.182	S	C	*	.	H	α-helix	trans	-104	-17.4	-173	-57	-39.6	0	0	0	113	W157 F158	W157-D160 PolarHBondContact O-N 3.18Å; W157-D160 VanDerWaalsContact O-N 3.17Å; F158-D160 PolarHBondContact O-N 2.79Å
161	H	98.8	Very high	98.7	Very high	110 Å²	110	37.9 Å²	37.9	51%	0.509	19%	0.187	S	C	.	.	H	α-helix	trans	-120.9	-3.9	-172.3	-56.6	88	0	0	0	114.1	W157 F158	W157-H161 HydrophobicContact CD2-CB 4.44Å; W157-H161 AromaticContact CD2-CE1 3.93Å; W157-H161 AromaticContact CD2-CG 3.93Å; W157-H161 AromaticContact CD2-ND1 3.51Å; W157-H161 AromaticContact CE2-CG 3.6Å; W157-H161 AromaticContact CE2-ND1 3.69Å; W157-H161 AromaticContact CE3-CE1 3.62Å; W157-H161 AromaticContact CE3-ND1 3.67Å; W157-H161 AromaticContact CH2-CD2 3.92Å; W157-H161 AromaticContact CH2-CE1 3.85Å; W157-H161 AromaticContact CH2-NE2 3.67Å; W157-H161 HydrophobicContact CZ2-CB 4.35Å; W157-H161 AromaticContact CZ2-CD2 3.71Å; W157-H161 AromaticContact CZ2-CG 3.77Å; W157-H161 AromaticContact CZ2-NE2 3.95Å; W157-H161 AromaticContact CZ3-CE1 3.58Å; W157-H161 AromaticContact CZ3-NE2 3.84Å; W157-H161 AromaticContact NE1-CG 3.9Å; W157-H161 PolarHBondContact O-N 2.94Å; W157-H161 PolarHBondContact O-ND1 2.75Å; F158-H161 PolarHBondContact O-N 2.97Å
162	G	98.8	Very high	98.6	Very high	11 Å²	11	35.6 Å²	35.6	11%	0.113	18%	0.179	C	C	.	.			trans	67.1	-174.8	-167	0	0	0	0	0	112.2	F158 S204	F158-G162 WeakPolarHBondContact CA-O 3.44Å; F158-G162 WeakPolarHBondContact CD1-O 3.42Å; F158-G162 WeakPolarHBondContact O-CA 3.44Å; F158-G162 PolarHBondContact O-N 3.05Å; G162-S204 WeakPolarHBondContact CA-O 3.41Å; G162-S204 PolarHBondContact N-O 2.85Å
163	G	98.8	Very high	98.4	Very high	18 Å²	18	36.9 Å²	36.9	19%	0.186	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-176	178.9	0	0	0	0	0	113.5	D113 G205 V206 R207	D113-G163 CarbonylContact O-C 3.59Å; D113-G163 WeakPolarHBondContact O-CA 3.24Å; G163-G205 PolarHBondContact N-O 2.87Å; G163-V206 WeakPolarHBondContact O-CA 3.45Å; G163-R207 PolarHBondContact O-N 3.18Å
164	N	98.8	Very high	98.4	Very high	6 Å²	6	41 Å²	41	3%	0.032	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.3	179.3	-162.9	-28.8	0	0	0	111.5	D113 I114 L115 R207 L257 A258	D113-N164 PolarHBondContact O-N 3.29Å; I114-N164 CarbonylContact C-O 3.5Å; I114-N164 VanDerWaalsContact CA-O 3.31Å; I114-N164 WeakPolarHBondContact CA-O 3.36Å; I114-N164 HydrophobicContact CG1-CB 4.4Å; L115-N164 PolarHBondContact N-O 2.81Å; N164-R207 CarbonylContact C-O 3.6Å; N164-R207 WeakPolarHBondContact CA-O 3.37Å; N164-R207 PolarHBondContact ND2-NH1 3.43Å; N164-R207 PolarHBondContact ND2-NH2 3.11Å; N164-L257 PolarHBondContact ND2-O 3.36Å; N164-L257 PolarHBondContact OD1-O 2.88Å; N164-A258 WeakPolarHBondContact ND2-CA 3.4Å; N164-A258 PolarHBondContact ND2-O 3.3Å
165	V	98.9	Very high	98.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.8	175.9	-177	0	0	0	0	109.1	L115 F158 V206 R207 V208 N209	L115-V165 HydrophobicContact CB-CG2 4.28Å; L115-V165 HydrophobicContact CD2-CG1 4.21Å; L115-V165 HydrophobicContact CD2-CG2 4.29Å; L115-V165 HydrophobicContact CG-CG1 4.38Å; L115-V165 CarbonylContact O-C 3.51Å; L115-V165 WeakPolarHBondContact O-CA 3.34Å; F158-V165 HydrophobicContact CD2-CG2 4.18Å; F158-V165 HydrophobicContact CE2-CG2 3.81Å; V165-V206 HydrophobicContact CG2-CG1 4.22Å; V165-R207 PolarHBondContact N-O 2.7Å; V165-V208 HydrophobicContact CB-CB 4.32Å; V165-V208 HydrophobicContact CB-CG1 3.99Å; V165-V208 HydrophobicContact CB-CG2 4.1Å; V165-V208 HydrophobicContact CG1-CG1 4.07Å; V165-V208 HydrophobicContact CG2-CG2 4.23Å; V165-V208 WeakPolarHBondContact O-CA 3.45Å; V165-N209 PolarHBondContact O-N 3.45Å
166	V	98.9	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.7	169.1	-173.1	0	0	0	0	109.4	L115 I116 N117 N209 V211 L257 A258	L115-V166 PolarHBondContact O-N 2.91Å; I116-V166 WeakPolarHBondContact CA-O 3.39Å; I116-V166 HydrophobicContact CD1-CB 3.66Å; I116-V166 HydrophobicContact CD1-CG2 3.97Å; N117-V166 PolarHBondContact N-O 3.47Å; V166-N209 CarbonylContact C-O 3.38Å; V166-N209 WeakPolarHBondContact CA-O 3.44Å; V166-V211 HydrophobicContact CG1-CG1 4.13Å; V166-L257 HydrophobicContact CG1-CB 4.39Å; V166-L257 HydrophobicContact CG1-CD1 4.08Å; V166-L257 HydrophobicContact CG2-CB 3.83Å; V166-A258 HydrophobicContact CG2-CB 4.41Å
167	N	98.9	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.6	175.4	-62.8	-35.5	0	0	0	110	N117 T146 S169 T194 N209 A210 V211	N117-N167 WeakPolarHBondContact CB-OD1 3.21Å; N117-N167 PolarHBondContact ND2-OD1 3.39Å; T146-N167 WeakPolarHBondContact CG2-OD1 3.39Å; N167-S169 PolarHBondContact O-N 2.87Å; N167-T194 PolarHBondContact ND2-OG1 3.34Å; N167-N209 PolarHBondContact N-O 3.19Å; N167-A210 HydrophobicContact CB-CB 4.21Å; N167-A210 CarbonylContact O-C 3.51Å; N167-A210 WeakPolarHBondContact O-CA 3.26Å; N167-A210 WeakPolarHBondContact O-CB 3.5Å; N167-V211 PolarHBondContact O-N 3.02Å
168	V	98.8	Very high	97.5	Very high	10 Å²	10	38.8 Å²	38.8	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	108.2	169.7	-175.7	0	0	0	0	108.7	I49 I116 N117 N118 K187 V211 P213	I49-V168 HydrophobicContact CD1-CG2 4.37Å; I116-V168 HydrophobicContact CG2-CG2 4.38Å; N117-V168 PolarHBondContact O-N 2.79Å; N118-V168 HydrophobicContact CB-CB 4.28Å; N118-V168 HydrophobicContact CB-CG2 3.73Å; V168-K187 WeakPolarHBondContact O-CE 3.48Å; V168-K187 PolarHBondContact O-NZ 3.39Å; V168-V211 HydrophobicContact CG2-CG1 4.05Å; V168-P213 HydrophobicContact CG1-CG 3.92Å
169	S	97.6	Very high	97.1	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.035	22%	0.218	C	C	.	.			trans	-102.6	-157.1	-177.5	-163.8	0	0	0	0	111.9	N167 K187 D191 V211 P213	N167-S169 PolarHBondContact O-N 2.87Å; S169-K187 PolarHBondContact OG-O 2.84Å; S169-D191 WeakPolarHBondContact CB-OD1 3.42Å; S169-D191 PolarHBondContact OG-OD1 3.44Å; S169-V211 PolarHBondContact N-O 3.11Å; S169-P213 VanDerWaalsContact O-CD 3.25Å; S169-P213 WeakPolarHBondContact O-CD 3.33Å
170	A	97.6	Very high	97	Very high	16 Å²	16	34.8 Å²	34.8	13%	0.132	20%	0.197	C	C	.	.			trans	-162	159	171.8	0	0	0	0	0	111.2	L172 K187	A170-L172 VanDerWaalsContact C-N 3.31Å; A170-L172 HydrophobicContact CB-CD1 4.15Å; A170-L172 HydrophobicContact CB-CG 4Å; A170-L172 PolarHBondContact O-N 3.24Å; A170-K187 HydrophobicContact CB-CB 4.25Å; A170-K187 HydrophobicContact CB-CG 3.91Å
171	T	97.8	Very high	96.9	Very high	19 Å²	19	32 Å²	32	12%	0.117	18%	0.184	C	C	.	.	S	Bend	trans	-86.4	6.2	178	52.9	0	0	0	0	114.4	A173 Y174 A212 V271 W277	T171-A173 PolarHBondContact O-N 3.2Å; T171-A173 VanDerWaalsContact O-N 3.11Å; T171-Y174 HydrophobicContact CG2-CD2 4.23Å; T171-Y174 HydrophobicContact CG2-CE2 4.04Å; T171-Y174 WeakPolarHBondContact O-CB 3.18Å; T171-Y174 PolarHBondContact O-N 3.47Å; T171-A212 HydrophobicContact CG2-CB 4.15Å; T171-V271 HydrophobicContact CG2-CB 4.48Å; T171-V271 HydrophobicContact CG2-CG1 3.62Å; T171-V271 HydrophobicContact CG2-CG2 4.05Å; T171-W277 HydrophobicContact CG2-CB 4.11Å; T171-W277 HydrophobicContact CG2-CG 4.16Å
172	L	96.2	Very high	96.9	Very high	37 Å²	37	26.8 Å²	26.8	19%	0.194	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.9	-172.7	-65.5	172.1	0	0	0	114.1	A170 Q177 Q180 A183	A170-L172 VanDerWaalsContact C-N 3.31Å; A170-L172 HydrophobicContact CB-CD1 4.15Å; A170-L172 HydrophobicContact CB-CG 4Å; A170-L172 PolarHBondContact O-N 3.24Å; L172-Q177 HydrophobicContact CB-CB 4.3Å; L172-Q177 HydrophobicContact CD2-CB 3.83Å; L172-Q177 HydrophobicContact CD2-CG 3.84Å; L172-Q177 WeakPolarHBondContact O-CB 3.23Å; L172-Q177 PolarHBondContact O-N 3.2Å; L172-Q180 HydrophobicContact CD1-CB 4.34Å; L172-Q180 HydrophobicContact CD2-CB 4.27Å; L172-Q180 HydrophobicContact CD2-CG 4.2Å; L172-A183 HydrophobicContact CD1-CB 3.71Å
173	A	96.6	Very high	96.8	Very high	40 Å²	40	26.3 Å²	26.3	33%	0.331	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.5	-178.9	0	0	0	0	0	113.4	T171 R175 G176 A188	T171-A173 PolarHBondContact O-N 3.2Å; T171-A173 VanDerWaalsContact O-N 3.11Å; A173-R175 PolarHBondContact O-N 3.03Å; A173-R175 VanDerWaalsContact O-N 3.16Å; A173-G176 PolarHBondContact O-N 2.93Å; A173-A188 HydrophobicContact CB-CB 3.78Å
174	Y	97.2	Very high	96.8	Very high	87 Å²	87	25.7 Å²	25.7	34%	0.341	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.2	-167.2	-69.4	11.5	0	0	0	112.3	T171 V271 W277	T171-Y174 HydrophobicContact CG2-CD2 4.23Å; T171-Y174 HydrophobicContact CG2-CE2 4.04Å; T171-Y174 WeakPolarHBondContact O-CB 3.18Å; T171-Y174 PolarHBondContact O-N 3.47Å; Y174-V271 HydrophobicContact CE2-CG2 4.06Å; Y174-W277 AromaticContact CD2-CD2 3.84Å; Y174-W277 HydrophobicContact CD2-CD2 3.84Å; Y174-W277 AromaticContact CD2-CE2 3.97Å; Y174-W277 AromaticContact CD2-CE3 3.88Å; Y174-W277 HydrophobicContact CD2-CE3 3.88Å; Y174-W277 HydrophobicContact CD2-CG 4.42Å; Y174-W277 HydrophobicContact CD2-CH2 4.16Å; Y174-W277 HydrophobicContact CD2-CZ2 4.12Å; Y174-W277 HydrophobicContact CD2-CZ3 4.05Å; Y174-W277 HydrophobicContact CG-CE3 4.35Å; Y174-W277 HydrophobicContact CG-CZ3 4.49Å
175	R	95.7	Very high	96.8	Very high	103 Å²	103	27.9 Å²	27.9	39%	0.389	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	8.5	177.1	-67.7	170.8	61.2	-152.5	-4.2	113.2	A173 W277 S280 N282	A173-R175 PolarHBondContact O-N 3.03Å; A173-R175 VanDerWaalsContact O-N 3.16Å; R175-W277 WeakPolarHBondContact CD-O 3.29Å; R175-W277 HydrophobicContact CG-CE3 4.21Å; R175-W277 HydrophobicContact CG-CZ3 4.33Å; R175-W277 PolarHBondContact NH1-O 3.13Å; R175-S280 VanDerWaalsContact CZ-O 3.31Å; R175-S280 PolarHBondContact NH1-O 2.65Å; R175-S280 PolarHBondContact NH2-O 3.39Å; R175-N282 PolarHBondContact O-ND2 3.48Å
176	G	95.2	Very high	96.8	Very high	51 Å²	51	27.9 Å²	27.9	53%	0.526	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	65.7	-172.4	0	0	0	0	0	112.1	A173 A178 N282	A173-G176 PolarHBondContact O-N 2.93Å; G176-A178 PolarHBondContact O-N 2.86Å; G176-N282 PolarHBondContact O-ND2 3.23Å
177	Q	93.8	Very high	96.7	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.243	17%	0.168	C	C	.	.			trans	-55.5	124.9	-177.7	-174.2	64.1	31.4	0	0	110.9	L172 Q180 N282	L172-Q177 HydrophobicContact CB-CB 4.3Å; L172-Q177 HydrophobicContact CD2-CB 3.83Å; L172-Q177 HydrophobicContact CD2-CG 3.84Å; L172-Q177 WeakPolarHBondContact O-CB 3.23Å; L172-Q177 PolarHBondContact O-N 3.2Å; Q177-Q180 HydrophobicContact CB-CB 4.18Å; Q177-Q180 HydrophobicContact CG-CB 4.24Å; Q177-Q180 HydrophobicContact CG-CG 4.12Å; Q177-Q180 WeakPolarHBondContact O-CB 3.49Å; Q177-Q180 PolarHBondContact O-N 2.94Å; Q177-N282 PolarHBondContact NE2-OD1 2.95Å
178	A	92	Very high	96.7	Very high	17 Å²	17	30.6 Å²	30.6	14%	0.14	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	149.7	178.9	0	0	0	0	0	110.9	G176 Q180 N282 V284 L287	G176-A178 PolarHBondContact O-N 2.86Å; A178-Q180 PolarHBondContact O-N 3.28Å; A178-N282 WeakPolarHBondContact CB-OD1 3.45Å; A178-N282 PolarHBondContact N-OD1 3.32Å; A178-V284 HydrophobicContact CB-CG2 4.09Å; A178-L287 HydrophobicContact CB-CD1 3.86Å
179	L	91.8	Very high	96.7	Very high	17 Å²	17	31.9 Å²	31.9	9%	0.089	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	4.1	-177.1	-44.1	179.9	0	0	0	115.8	L124 C125 P126 H182 L287 L288 A291	L124-L179 HydrophobicContact CB-CB 4.42Å; L124-L179 HydrophobicContact CB-CD1 4.44Å; L124-L179 HydrophobicContact CD2-CB 4.17Å; L124-L179 HydrophobicContact CD2-CD1 4.39Å; C125-L179 PolarHBondContact N-O 3.31Å; C125-L179 CarbonylContact O-C 3.26Å; C125-L179 VanDerWaalsContact O-C 3.26Å; C125-L179 VanDerWaalsContact O-CA 3.23Å; C125-L179 WeakPolarHBondContact O-CA 3.39Å; P126-L179 HydrophobicContact CB-CD2 4.13Å; P126-L179 HydrophobicContact CG-CD2 3.76Å; L179-H182 PolarHBondContact O-CE1 3.23Å; L179-L287 HydrophobicContact CD1-CB 4.05Å; L179-L287 HydrophobicContact CG-CB 4.44Å; L179-L288 HydrophobicContact CD2-CD2 3.75Å; L179-A291 HydrophobicContact CD1-CB 4.41Å
180	Q	95.3	Very high	96.8	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.051	19%	0.194	C	C	.	.			trans	-127.3	22.8	-167.4	-70.6	-65.6	112	0	0	113.5	N122 F123 L124 L172 Q177 A178 H182 A183 G184	N122-Q180 VanDerWaalsContact CG-NE2 3.28Å; N122-Q180 PolarHBondContact ND2-NE2 2.9Å; N122-Q180 PolarHBondContact OD1-NE2 3.01Å; N122-Q180 PolarHBondContact OD1-OE1 3.33Å; F123-Q180 PolarHBondContact O-OE1 2.76Å; F123-Q180 VanDerWaalsContact O-OE1 3.06Å; L124-Q180 HydrophobicContact CD2-CG 4.22Å; L172-Q180 HydrophobicContact CD1-CB 4.34Å; L172-Q180 HydrophobicContact CD2-CB 4.27Å; L172-Q180 HydrophobicContact CD2-CG 4.2Å; Q177-Q180 HydrophobicContact CB-CB 4.18Å; Q177-Q180 HydrophobicContact CG-CB 4.24Å; Q177-Q180 HydrophobicContact CG-CG 4.12Å; Q177-Q180 WeakPolarHBondContact O-CB 3.49Å; Q177-Q180 PolarHBondContact O-N 2.94Å; A178-Q180 PolarHBondContact O-N 3.28Å; Q180-H182 VanDerWaalsContact C-N 3.3Å; Q180-H182 PolarHBondContact O-N 3.25Å; Q180-A183 PolarHBondContact O-N 2.79Å; Q180-G184 PolarHBondContact O-N 2.81Å
181	V	97.7	Very high	96.8	Very high	62 Å²	62	31.5 Å²	31.5	38%	0.376	19%	0.191	S	C	.	.	H	α-helix	trans	-55.5	-40.9	-174.8	66.1	0	0	0	0	113.3	A127 L130 F135 S185	A127-V181 HydrophobicContact CB-CG1 3.88Å; L130-V181 HydrophobicContact CD2-CG1 3.78Å; F135-V181 HydrophobicContact CD2-CG1 4.49Å; F135-V181 HydrophobicContact CE2-CG2 4.45Å; V181-S185 VanDerWaalsContact O-CB 3.28Å; V181-S185 WeakPolarHBondContact O-CB 3.35Å; V181-S185 PolarHBondContact O-N 2.68Å; V181-S185 PolarHBondContact O-OG 2.94Å
182	H	98.3	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-54	177.4	42.2	-75.6	0	0	0	112	F123 L130 F135 V138 L179 Q180 S185 A186	F123-H182 PolarHBondContact O-CE1 2.59Å; F123-H182 VanDerWaalsContact O-CE1 3.26Å; F123-H182 PolarHBondContact O-NE2 3.09Å; L130-H182 HydrophobicContact CD2-CB 4.03Å; L130-H182 WeakPolarHBondContact CD2-ND1 3.02Å; F135-H182 HydrophobicContact CD2-CB 3.77Å; F135-H182 HydrophobicContact CE2-CB 4.28Å; V138-H182 HydrophobicContact CB-CB 3.98Å; V138-H182 HydrophobicContact CG1-CB 4.02Å; V138-H182 HydrophobicContact CG2-CB 4.16Å; L179-H182 PolarHBondContact O-CE1 3.23Å; Q180-H182 VanDerWaalsContact C-N 3.3Å; Q180-H182 PolarHBondContact O-N 3.25Å; H182-S185 PolarHBondContact O-N 2.57Å; H182-A186 WeakPolarHBondContact O-CB 3.44Å; H182-A186 PolarHBondContact O-N 3.37Å
183	A	97.3	Very high	97	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-68.9	-39.8	-178.1	0	0	0	0	0	112	N122 L172 Q180 A186 K187	N122-A183 HydrophobicContact CB-CB 4.48Å; N122-A183 WeakPolarHBondContact OD1-CB 3.32Å; L172-A183 HydrophobicContact CD1-CB 3.71Å; Q180-A183 PolarHBondContact O-N 2.79Å; A183-A186 PolarHBondContact O-N 2.72Å; A183-K187 WeakPolarHBondContact O-CB 3.38Å; A183-K187 WeakPolarHBondContact O-CG 3.32Å; A183-K187 PolarHBondContact O-N 2.73Å
184	G	98.3	Very high	97.1	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-48.2	174.1	0	0	0	0	0	111.9	Q180 A186 K187 A188	Q180-G184 PolarHBondContact O-N 2.81Å; G184-A186 PolarHBondContact O-N 2.96Å; G184-K187 PolarHBondContact O-N 3.18Å; G184-A188 WeakPolarHBondContact O-CB 3.47Å; G184-A188 PolarHBondContact O-N 2.82Å
185	S	98.8	Very high	97.2	Very high	52 Å²	52	31.5 Å²	31.5	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-61.6	-46.3	177.1	-56.2	0	0	0	0	111.7	V181 H182 K187 A188 A189	V181-S185 VanDerWaalsContact O-CB 3.28Å; V181-S185 WeakPolarHBondContact O-CB 3.35Å; V181-S185 PolarHBondContact O-N 2.68Å; V181-S185 PolarHBondContact O-OG 2.94Å; H182-S185 PolarHBondContact O-N 2.57Å; S185-K187 PolarHBondContact O-N 3.44Å; S185-A188 PolarHBondContact O-N 3.46Å; S185-A189 PolarHBondContact O-N 3.36Å
186	A	98.7	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-41.4	-178.1	0	0	0	0	0	112.8	V138 L139 D142 T143 H182 A183 G184 A189 N190	V138-A186 HydrophobicContact CG1-CB 4.15Å; L139-A186 HydrophobicContact CD1-CB 4.29Å; L139-A186 HydrophobicContact CG-CB 4.38Å; D142-A186 HydrophobicContact CB-CB 3.72Å; T143-A186 VanDerWaalsContact OG1-CA 3.26Å; T143-A186 WeakPolarHBondContact OG1-CA 3.31Å; T143-A186 WeakPolarHBondContact OG1-CB 3.34Å; T143-A186 PolarHBondContact OG1-O 3.45Å; T143-A186 VanDerWaalsContact OG1-O 3.05Å; H182-A186 WeakPolarHBondContact O-CB 3.44Å; H182-A186 PolarHBondContact O-N 3.37Å; A183-A186 PolarHBondContact O-N 2.72Å; G184-A186 PolarHBondContact O-N 2.96Å; A186-A189 WeakPolarHBondContact O-CB 3.39Å; A186-A189 PolarHBondContact O-N 3Å; A186-N190 PolarHBondContact O-N 3.27Å; A186-N190 VanDerWaalsContact O-N 3.13Å; A186-N190 PolarHBondContact O-OD1 3.4Å
187	K	98.4	Very high	97.5	Very high	15 Å²	15	30.1 Å²	30.1	7%	0.065	18%	0.175	C	C	.	.	H	α-helix	trans	-74.3	-33.1	178.4	-65.4	-45.6	-161.4	-176.2	0	113	D142 V168 S169 A170 A183 G184 S185 A189 N190 D191	D142-K187 WeakPolarHBondContact OD2-CE 3.5Å; D142-K187 IonicContact OD2-NZ 3.33Å; D142-K187 PolarHBondContact OD2-NZ 3.34Å; V168-K187 WeakPolarHBondContact O-CE 3.48Å; V168-K187 PolarHBondContact O-NZ 3.39Å; S169-K187 PolarHBondContact OG-O 2.84Å; A170-K187 HydrophobicContact CB-CB 4.25Å; A170-K187 HydrophobicContact CB-CG 3.91Å; A183-K187 WeakPolarHBondContact O-CB 3.38Å; A183-K187 WeakPolarHBondContact O-CG 3.32Å; A183-K187 PolarHBondContact O-N 2.73Å; G184-K187 PolarHBondContact O-N 3.18Å; S185-K187 PolarHBondContact O-N 3.44Å; K187-A189 VanDerWaalsContact C-N 3.29Å; K187-A189 PolarHBondContact O-N 3.27Å; K187-N190 WeakPolarHBondContact O-CB 3.38Å; K187-N190 PolarHBondContact O-N 3.16Å; K187-N190 VanDerWaalsContact O-N 3.13Å; K187-D191 PolarHBondContact O-N 3.49Å
188	A	98.8	Very high	97.8	Very high	41 Å²	41	28 Å²	28	34%	0.339	17%	0.167	S	C	.	.	H	α-helix	trans	-61.5	-39	169.7	0	0	0	0	0	112	A173 G184 S185 N190 D191 A192	A173-A188 HydrophobicContact CB-CB 3.78Å; G184-A188 WeakPolarHBondContact O-CB 3.47Å; G184-A188 PolarHBondContact O-N 2.82Å; S185-A188 PolarHBondContact O-N 3.46Å; A188-N190 VanDerWaalsContact C-N 3.32Å; A188-N190 PolarHBondContact O-N 2.98Å; A188-D191 PolarHBondContact O-N 3.46Å; A188-A192 PolarHBondContact O-N 2.98Å
189	A	98.8	Very high	98.1	Very high	38 Å²	38	32.8 Å²	32.8	31%	0.314	19%	0.194	S	C	.	.	H	α-helix	trans	-64.1	-37	173.6	0	0	0	0	0	111.9	T143 S185 A186 K187 A192 M193	T143-A189 HydrophobicContact CG2-CB 3.58Å; S185-A189 PolarHBondContact O-N 3.36Å; A186-A189 WeakPolarHBondContact O-CB 3.39Å; A186-A189 PolarHBondContact O-N 3Å; K187-A189 VanDerWaalsContact C-N 3.29Å; K187-A189 PolarHBondContact O-N 3.27Å; A189-A192 PolarHBondContact O-N 3.5Å; A189-M193 VanDerWaalsContact O-CB 3.29Å; A189-M193 WeakPolarHBondContact O-CB 3.32Å; A189-M193 PolarHBondContact O-N 3.05Å
190	N	98.3	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-37.1	174.2	-70.9	4	0	0	0	112.6	D142 T143 T146 A186 K187 A188 M193 T194	D142-N190 PolarHBondContact O-ND2 2.97Å; D142-N190 PolarHBondContact O-OD1 2.98Å; T143-N190 WeakPolarHBondContact CA-OD1 3.3Å; T146-N190 PolarHBondContact OG1-ND2 3.5Å; A186-N190 PolarHBondContact O-N 3.27Å; A186-N190 VanDerWaalsContact O-N 3.13Å; A186-N190 PolarHBondContact O-OD1 3.4Å; K187-N190 WeakPolarHBondContact O-CB 3.38Å; K187-N190 PolarHBondContact O-N 3.16Å; K187-N190 VanDerWaalsContact O-N 3.13Å; A188-N190 VanDerWaalsContact C-N 3.32Å; A188-N190 PolarHBondContact O-N 2.98Å; N190-M193 PolarHBondContact O-N 3.42Å; N190-T194 WeakPolarHBondContact O-CB 3.26Å; N190-T194 PolarHBondContact O-N 2.91Å; N190-T194 PolarHBondContact O-OG1 3.43Å
191	D	98.8	Very high	98.6	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-41.4	174.4	-75.8	3.9	0	0	0	111.3	S169 K187 A188 T194 I269	S169-D191 WeakPolarHBondContact CB-OD1 3.42Å; S169-D191 PolarHBondContact OG-OD1 3.44Å; K187-D191 PolarHBondContact O-N 3.49Å; A188-D191 PolarHBondContact O-N 3.46Å; D191-T194 WeakPolarHBondContact O-CB 3.42Å; D191-I269 HydrophobicContact CB-CG1 4.18Å
192	A	98.9	Very high	98.7	Very high	43 Å²	43	36.8 Å²	36.8	36%	0.355	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-49.6	173.3	0	0	0	0	0	111	A188 A189 T194 K195 H196	A188-A192 PolarHBondContact O-N 2.98Å; A189-A192 PolarHBondContact O-N 3.5Å; A192-T194 VanDerWaalsContact C-N 3.26Å; A192-T194 PolarHBondContact O-N 3.39Å; A192-K195 WeakPolarHBondContact O-CB 3.48Å; A192-K195 PolarHBondContact O-N 2.96Å; A192-H196 PolarHBondContact O-CD2 2.94Å; A192-H196 VanDerWaalsContact O-CD2 3.24Å; A192-H196 PolarHBondContact O-N 2.81Å
193	M	98.9	Very high	98.7	Very high	26 Å²	26	42.6 Å²	42.6	13%	0.128	25%	0.254	C	S	.	.	H	α-helix	trans	-55.9	-40.7	178.6	-172.4	-173.8	-51.6	0	0	112	T143 T146 F147 A189 N190 K195 H196 L197	T143-M193 HydrophobicContact CG2-CE 3.92Å; T146-M193 HydrophobicContact CG2-SD 3.93Å; F147-M193 HydrophobicContact CB-CE 3.72Å; F147-M193 HydrophobicContact CB-SD 3.84Å; F147-M193 HydrophobicContact CD2-SD 4.29Å; A189-M193 VanDerWaalsContact O-CB 3.29Å; A189-M193 WeakPolarHBondContact O-CB 3.32Å; A189-M193 PolarHBondContact O-N 3.05Å; N190-M193 PolarHBondContact O-N 3.42Å; M193-K195 VanDerWaalsContact C-N 3.27Å; M193-K195 PolarHBondContact O-N 3.41Å; M193-H196 PolarHBondContact O-N 3.22Å; M193-L197 HydrophobicContact CG-CD1 3.68Å; M193-L197 HydrophobicContact CG-CG 3.94Å; M193-L197 WeakPolarHBondContact O-CB 3.37Å; M193-L197 VanDerWaalsContact O-CG 3.28Å; M193-L197 WeakPolarHBondContact O-CG 3.02Å; M193-L197 PolarHBondContact O-N 3.34Å; M193-L197 HydrophobicContact SD-CD1 4.18Å
194	T	98.9	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-53.3	-44.8	175.1	-63.6	0	0	0	0	111.6	N167 N190 D191 A192 A198 V208 N209 A210	N167-T194 PolarHBondContact ND2-OG1 3.34Å; N190-T194 WeakPolarHBondContact O-CB 3.26Å; N190-T194 PolarHBondContact O-N 2.91Å; N190-T194 PolarHBondContact O-OG1 3.43Å; D191-T194 WeakPolarHBondContact O-CB 3.42Å; A192-T194 VanDerWaalsContact C-N 3.26Å; A192-T194 PolarHBondContact O-N 3.39Å; T194-A198 VanDerWaalsContact O-CB 3.23Å; T194-A198 WeakPolarHBondContact O-CB 3.47Å; T194-A198 PolarHBondContact O-N 2.96Å; T194-A198 VanDerWaalsContact O-N 3.08Å; T194-V208 HydrophobicContact CG2-CG1 4.19Å; T194-N209 VanDerWaalsContact CG2-C 3.49Å; T194-A210 HydrophobicContact CG2-CB 4.21Å
195	K	98.9	Very high	98.8	Very high	114 Å²	114	46.3 Å²	46.3	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-70.4	-44.4	178.9	-60	170.5	-167.5	179.3	0	112	A192 M193 A198 V199 I269	A192-K195 WeakPolarHBondContact O-CB 3.48Å; A192-K195 PolarHBondContact O-N 2.96Å; M193-K195 VanDerWaalsContact C-N 3.27Å; M193-K195 PolarHBondContact O-N 3.41Å; K195-A198 PolarHBondContact O-N 3.41Å; K195-V199 WeakPolarHBondContact O-CG2 3.37Å; K195-V199 PolarHBondContact O-N 3.05Å; K195-I269 HydrophobicContact CG-CD1 4.42Å
196	H	98.9	Very high	98.8	Very high	116 Å²	116	43.9 Å²	43.9	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-52	178.6	-80.8	-82.3	0	0	0	111.5	A192 M193 A198 V199 E200	A192-H196 PolarHBondContact O-CD2 2.94Å; A192-H196 VanDerWaalsContact O-CD2 3.24Å; A192-H196 PolarHBondContact O-N 2.81Å; M193-H196 PolarHBondContact O-N 3.22Å; H196-A198 VanDerWaalsContact C-N 3.32Å; H196-A198 PolarHBondContact O-N 3.02Å; H196-V199 PolarHBondContact O-N 2.91Å; H196-E200 PolarHBondContact O-N 2.91Å
197	L	98.9	Very high	98.8	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-67.1	-33.2	-178.9	-60.4	-177.1	0	0	0	112.2	M193 V199 E200 W201 V208	M193-L197 HydrophobicContact CG-CD1 3.68Å; M193-L197 HydrophobicContact CG-CG 3.94Å; M193-L197 WeakPolarHBondContact O-CB 3.37Å; M193-L197 VanDerWaalsContact O-CG 3.28Å; M193-L197 WeakPolarHBondContact O-CG 3.02Å; M193-L197 PolarHBondContact O-N 3.34Å; M193-L197 HydrophobicContact SD-CD1 4.18Å; L197-V199 VanDerWaalsContact C-N 3.33Å; L197-V199 PolarHBondContact O-N 2.64Å; L197-E200 PolarHBondContact O-N 3.41Å; L197-W201 HydrophobicContact CB-CD2 4.18Å; L197-W201 HydrophobicContact CB-CE3 3.99Å; L197-W201 HydrophobicContact CB-CZ3 4.23Å; L197-W201 HydrophobicContact CD1-CE3 4.38Å; L197-W201 HydrophobicContact CD1-CH2 3.73Å; L197-W201 HydrophobicContact CD1-CZ2 4.33Å; L197-W201 HydrophobicContact CD1-CZ3 3.77Å; L197-W201 HydrophobicContact CD2-CD2 4.23Å; L197-W201 HydrophobicContact CD2-CE3 4.47Å; L197-W201 HydrophobicContact CD2-CH2 3.84Å; L197-W201 HydrophobicContact CD2-CZ2 3.54Å; L197-W201 HydrophobicContact CD2-CZ3 4.3Å; L197-W201 HydrophobicContact CG-CH2 4.26Å; L197-W201 HydrophobicContact CG-CZ2 4.4Å; L197-W201 HydrophobicContact CG-CZ3 4.31Å; L197-W201 VanDerWaalsContact O-CB 3.25Å; L197-W201 WeakPolarHBondContact O-CB 3.44Å; L197-W201 PolarHBondContact O-N 2.95Å; L197-V208 HydrophobicContact CB-CB 4.37Å; L197-V208 HydrophobicContact CB-CG1 4.16Å; L197-V208 HydrophobicContact CB-CG2 3.94Å
198	A	98.9	Very high	98.9	Very high	8 Å²	8	45 Å²	45	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-40.4	173.1	0	0	0	0	0	112.7	T194 K195 H196 G202 V208 T266 G267	T194-A198 VanDerWaalsContact O-CB 3.23Å; T194-A198 WeakPolarHBondContact O-CB 3.47Å; T194-A198 PolarHBondContact O-N 2.96Å; T194-A198 VanDerWaalsContact O-N 3.08Å; K195-A198 PolarHBondContact O-N 3.41Å; H196-A198 VanDerWaalsContact C-N 3.32Å; H196-A198 PolarHBondContact O-N 3.02Å; A198-G202 PolarHBondContact O-N 2.83Å; A198-V208 HydrophobicContact CB-CB 4.17Å; A198-T266 HydrophobicContact CB-CG2 4.42Å; A198-T266 WeakPolarHBondContact CB-OG1 3.29Å; A198-G267 VanDerWaalsContact CB-CA 3.5Å; A198-G267 VanDerWaalsContact CB-N 3.33Å
199	V	98.9	Very high	98.9	Very high	117 Å²	117	43 Å²	43	71%	0.709	26%	0.258	S	S	*	.	H	α-helix	trans	-70.2	-48.2	177.2	171.8	0	0	0	0	110.8	K195 H196 L197	K195-V199 WeakPolarHBondContact O-CG2 3.37Å; K195-V199 PolarHBondContact O-N 3.05Å; H196-V199 PolarHBondContact O-N 2.91Å; L197-V199 VanDerWaalsContact C-N 3.33Å; L197-V199 PolarHBondContact O-N 2.64Å
200	E	98.9	Very high	98.9	Very high	122 Å²	122	41.2 Å²	41.2	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-72.6	-36.5	-174.1	-70.6	-177.6	-137.7	0	0	113.2	H196 L197	H196-E200 PolarHBondContact O-N 2.91Å; L197-E200 PolarHBondContact O-N 3.41Å
201	W	98.9	Very high	98.9	Very high	17 Å²	17	41.3 Å²	41.3	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-102	-6.5	-173.5	-56.2	-14.3	0	0	0	113.8	S150 Y154 L197 S204 V206 V208	S150-W201 WeakPolarHBondContact O-CH2 3.42Å; Y154-W201 AromaticContact CD1-CE2 4Å; Y154-W201 HydrophobicContact CD1-CZ2 4.19Å; Y154-W201 HydrophobicContact CD2-CB 4.23Å; Y154-W201 AromaticContact CD2-CD2 3.53Å; Y154-W201 HydrophobicContact CD2-CD2 3.53Å; Y154-W201 AromaticContact CD2-CE2 3.81Å; Y154-W201 AromaticContact CD2-CE3 3.84Å; Y154-W201 HydrophobicContact CD2-CE3 3.84Å; Y154-W201 AromaticContact CD2-CG 3.74Å; Y154-W201 HydrophobicContact CD2-CG 3.74Å; Y154-W201 HydrophobicContact CD2-CZ2 4.34Å; Y154-W201 HydrophobicContact CD2-CZ3 4.36Å; Y154-W201 AromaticContact CE1-NE1 3.88Å; Y154-W201 HydrophobicContact CE2-CB 3.73Å; Y154-W201 AromaticContact CE2-CD1 3.61Å; Y154-W201 AromaticContact CE2-CD2 3.79Å; Y154-W201 HydrophobicContact CE2-CD2 3.79Å; Y154-W201 HydrophobicContact CE2-CE3 4.46Å; Y154-W201 AromaticContact CE2-CG 3.45Å; Y154-W201 HydrophobicContact CE2-CG 3.45Å; Y154-W201 VanDerWaalsContact CE2-CG 3.45Å; Y154-W201 AromaticContact CG-CD2 3.95Å; Y154-W201 HydrophobicContact CG-CD2 3.95Å; Y154-W201 AromaticContact CG-CE2 3.73Å; Y154-W201 HydrophobicContact CG-CE3 4.27Å; Y154-W201 HydrophobicContact CG-CG 4.43Å; Y154-W201 HydrophobicContact CG-CH2 4.22Å; Y154-W201 AromaticContact CG-CZ2 3.88Å; Y154-W201 HydrophobicContact CG-CZ2 3.88Å; Y154-W201 HydrophobicContact CG-CZ3 4.4Å; Y154-W201 AromaticContact CZ-CD1 3.56Å; Y154-W201 AromaticContact CZ-CG 3.91Å; Y154-W201 AromaticContact CZ-NE1 3.87Å; L197-W201 HydrophobicContact CB-CD2 4.18Å; L197-W201 HydrophobicContact CB-CE3 3.99Å; L197-W201 HydrophobicContact CB-CZ3 4.23Å; L197-W201 HydrophobicContact CD1-CE3 4.38Å; L197-W201 HydrophobicContact CD1-CH2 3.73Å; L197-W201 HydrophobicContact CD1-CZ2 4.33Å; L197-W201 HydrophobicContact CD1-CZ3 3.77Å; L197-W201 HydrophobicContact CD2-CD2 4.23Å; L197-W201 HydrophobicContact CD2-CE3 4.47Å; L197-W201 HydrophobicContact CD2-CH2 3.84Å; L197-W201 HydrophobicContact CD2-CZ2 3.54Å; L197-W201 HydrophobicContact CD2-CZ3 4.3Å; L197-W201 HydrophobicContact CG-CH2 4.26Å; L197-W201 HydrophobicContact CG-CZ2 4.4Å; L197-W201 HydrophobicContact CG-CZ3 4.31Å; L197-W201 VanDerWaalsContact O-CB 3.25Å; L197-W201 WeakPolarHBondContact O-CB 3.44Å; L197-W201 PolarHBondContact O-N 2.95Å; W201-S204 WeakPolarHBondContact O-CB 3.29Å; W201-S204 PolarHBondContact O-N 3.33Å; W201-V206 HydrophobicContact CB-CB 3.77Å; W201-V206 HydrophobicContact CB-CG1 4.3Å; W201-V206 HydrophobicContact CB-CG2 4.17Å; W201-V206 HydrophobicContact CE3-CG1 4.19Å; W201-V206 WeakPolarHBondContact O-CB 3.39Å; W201-V206 PolarHBondContact O-N 3.11Å; W201-V208 HydrophobicContact CE3-CG2 4.17Å
202	G	98.9	Very high	98.9	Very high	35 Å²	35	40.7 Å²	40.7	36%	0.361	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-51.4	-45.5	173.1	0	0	0	0	0	113.8	A198 S204 G205	A198-G202 PolarHBondContact O-N 2.83Å; G202-S204 PolarHBondContact O-N 3.35Å; G202-G205 PolarHBondContact O-N 3.37Å
203	P	98.8	Very high	98.8	Very high	121 Å²	121	39.4 Å²	39.4	79%	0.786	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-60.3	-24.3	175.6	-26.6	36.4	0	0	0	114.9	G205	P203-G205 PolarHBondContact O-N 3.13Å
204	S	98.8	Very high	98.6	Very high	35 Å²	35	39.1 Å²	39.1	25%	0.245	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-83.9	7.2	172.8	-75	0	0	0	0	113.2	Y154 K159 G162 W201 G202 V206	Y154-S204 PolarHBondContact OH-OG 3.43Å; K159-S204 WeakPolarHBondContact O-CB 3.42Å; K159-S204 PolarHBondContact O-OG 3.04Å; G162-S204 WeakPolarHBondContact CA-O 3.41Å; G162-S204 PolarHBondContact N-O 2.85Å; W201-S204 WeakPolarHBondContact O-CB 3.29Å; W201-S204 PolarHBondContact O-N 3.33Å; G202-S204 PolarHBondContact O-N 3.35Å; S204-V206 VanDerWaalsContact C-N 3.31Å
205	G	98.7	Very high	98.4	Very high	50 Å²	50	40.1 Å²	40.1	52%	0.515	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	20.4	-176.9	0	0	0	0	0	113.6	G163 G202 P203	G163-G205 PolarHBondContact N-O 2.87Å; G202-G205 PolarHBondContact O-N 3.37Å; P203-G205 PolarHBondContact O-N 3.13Å
206	V	98.9	Very high	98.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.5	178.9	-171.5	0	0	0	0	110.5	Y154 F158 G163 V165 W201 S204 V208	Y154-V206 HydrophobicContact CD2-CG2 4.17Å; Y154-V206 HydrophobicContact CE2-CG2 4.09Å; F158-V206 HydrophobicContact CB-CG2 3.76Å; F158-V206 HydrophobicContact CD2-CG1 4.05Å; G163-V206 WeakPolarHBondContact O-CA 3.45Å; V165-V206 HydrophobicContact CG2-CG1 4.22Å; W201-V206 HydrophobicContact CB-CB 3.77Å; W201-V206 HydrophobicContact CB-CG1 4.3Å; W201-V206 HydrophobicContact CB-CG2 4.17Å; W201-V206 HydrophobicContact CE3-CG1 4.19Å; W201-V206 WeakPolarHBondContact O-CB 3.39Å; W201-V206 PolarHBondContact O-N 3.11Å; S204-V206 VanDerWaalsContact C-N 3.31Å; V206-V208 HydrophobicContact CG1-CG2 4.09Å
207	R	98.9	Very high	98.1	Very high	38 Å²	38	30.3 Å²	30.3	14%	0.143	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.1	169.1	-61.4	-171.7	-60.9	110.5	-11.9	110	G163 N164 V165 L257 S259 S262 S263 V265 T266	G163-R207 PolarHBondContact O-N 3.18Å; N164-R207 CarbonylContact C-O 3.6Å; N164-R207 WeakPolarHBondContact CA-O 3.37Å; N164-R207 PolarHBondContact ND2-NH1 3.43Å; N164-R207 PolarHBondContact ND2-NH2 3.11Å; V165-R207 PolarHBondContact N-O 2.7Å; R207-L257 PolarHBondContact NH1-O 3.18Å; R207-L257 PolarHBondContact NH2-O 3.29Å; R207-S259 PolarHBondContact NH2-O 3.35Å; R207-S262 VanDerWaalsContact CZ-O 3.22Å; R207-S262 PolarHBondContact NH1-O 3.19Å; R207-S262 PolarHBondContact NH1-OG 3.04Å; R207-S262 PolarHBondContact NH2-OG 2.62Å; R207-S263 WeakPolarHBondContact CD-O 3.48Å; R207-V265 PolarHBondContact NH1-O 3.23Å; R207-V265 VanDerWaalsContact NH1-O 3.1Å; R207-T266 WeakPolarHBondContact CA-OG1 3.22Å
208	V	98.9	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	117.2	179.3	-171.8	0	0	0	0	108.8	V165 T194 L197 A198 W201 V206 T266 G267	V165-V208 HydrophobicContact CB-CB 4.32Å; V165-V208 HydrophobicContact CB-CG1 3.99Å; V165-V208 HydrophobicContact CB-CG2 4.1Å; V165-V208 HydrophobicContact CG1-CG1 4.07Å; V165-V208 HydrophobicContact CG2-CG2 4.23Å; V165-V208 WeakPolarHBondContact O-CA 3.45Å; T194-V208 HydrophobicContact CG2-CG1 4.19Å; L197-V208 HydrophobicContact CB-CB 4.37Å; L197-V208 HydrophobicContact CB-CG1 4.16Å; L197-V208 HydrophobicContact CB-CG2 3.94Å; A198-V208 HydrophobicContact CB-CB 4.17Å; W201-V208 HydrophobicContact CE3-CG2 4.17Å; V206-V208 HydrophobicContact CG1-CG2 4.09Å; V208-T266 PolarHBondContact N-OG1 3.34Å; V208-T266 VanDerWaalsContact N-OG1 3.1Å; V208-G267 WeakPolarHBondContact O-CA 3.5Å; V208-G267 PolarHBondContact O-N 2.91Å
209	N	98.9	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	169.6	179	-64.2	-69.5	0	0	0	110.7	V165 V166 N167 T194 L257 V265 T266 G267 A268	V165-N209 PolarHBondContact O-N 3.45Å; V166-N209 CarbonylContact C-O 3.38Å; V166-N209 WeakPolarHBondContact CA-O 3.44Å; N167-N209 PolarHBondContact N-O 3.19Å; T194-N209 VanDerWaalsContact CG2-C 3.49Å; N209-L257 HydrophobicContact CB-CD1 4.16Å; N209-L257 HydrophobicContact CB-CD2 4.05Å; N209-L257 HydrophobicContact CB-CG 4.49Å; N209-V265 PolarHBondContact ND2-O 3.02Å; N209-T266 WeakPolarHBondContact OD1-CA 3.36Å; N209-T266 PolarHBondContact OD1-N 3.37Å; N209-G267 PolarHBondContact OD1-N 2.88Å; N209-A268 CarbonylContact C-O 3.59Å; N209-A268 WeakPolarHBondContact CA-O 3.28Å; N209-A268 WeakPolarHBondContact OD1-CB 3.4Å; N209-A268 PolarHBondContact OD1-N 3.49Å; N209-A268 VanDerWaalsContact OD1-N 3.09Å
210	A	98.9	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.5	172	0	0	0	0	0	111.6	N167 T194 A268 I269 L270	N167-A210 HydrophobicContact CB-CB 4.21Å; N167-A210 CarbonylContact O-C 3.51Å; N167-A210 WeakPolarHBondContact O-CA 3.26Å; N167-A210 WeakPolarHBondContact O-CB 3.5Å; T194-A210 HydrophobicContact CG2-CB 4.21Å; A210-A268 PolarHBondContact N-O 2.96Å; A210-I269 HydrophobicContact CB-CG1 4.21Å; A210-I269 HydrophobicContact CB-CG2 4.31Å; A210-L270 PolarHBondContact O-N 2.76Å
211	V	98.8	Very high	96.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.2	162.4	61.3	0	0	0	0	107.9	V166 N167 V168 S169 P213 C253 L257 L270 A272	V166-V211 HydrophobicContact CG1-CG1 4.13Å; N167-V211 PolarHBondContact O-N 3.02Å; V168-V211 HydrophobicContact CG2-CG1 4.05Å; S169-V211 PolarHBondContact N-O 3.11Å; V211-P213 WeakPolarHBondContact O-CD 3.44Å; V211-C253 HydrophobicContact CG2-CB 3.84Å; V211-L257 HydrophobicContact CB-CD1 4.25Å; V211-L270 CarbonylContact C-O 3.6Å; V211-L270 WeakPolarHBondContact CA-O 3.47Å; V211-A272 HydrophobicContact CG2-CB 4.21Å
212	A	98.6	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	97.9	178.2	0	0	0	0	0	109.5	T171 I269 L270 V271 A272	T171-A212 HydrophobicContact CG2-CB 4.15Å; A212-I269 HydrophobicContact CB-CG2 4.18Å; A212-L270 PolarHBondContact N-O 3.26Å; A212-V271 HydrophobicContact CB-CG2 4.28Å; A212-A272 PolarHBondContact O-N 3.36Å
213	P	98	Very high	95.4	Very high	15 Å²	15	29.7 Å²	29.7	10%	0.097	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	153.5	-179.3	-21.6	35.9	0	0	0	113.4	I45 V168 S169 V211 I216 M250	I45-P213 HydrophobicContact CD1-CB 4.31Å; I45-P213 HydrophobicContact CD1-CG 4.15Å; V168-P213 HydrophobicContact CG1-CG 3.92Å; S169-P213 VanDerWaalsContact O-CD 3.25Å; S169-P213 WeakPolarHBondContact O-CD 3.33Å; V211-P213 WeakPolarHBondContact O-CD 3.44Å; P213-I216 HydrophobicContact CB-CD1 4.2Å; P213-I216 HydrophobicContact CB-CG1 3.84Å; P213-M250 HydrophobicContact CB-CG 4.27Å; P213-M250 HydrophobicContact CB-SD 3.56Å; P213-M250 VanDerWaalsContact CB-SD 3.56Å; P213-M250 HydrophobicContact CG-CG 4.48Å; P213-M250 HydrophobicContact CG-SD 3.91Å
214	G	94.9	Very high	94.6	Very high	20 Å²	20	27.4 Å²	27.4	21%	0.206	16%	0.162	C	C	.	.			trans	-83.6	-154.4	163.2	0	0	0	0	0	113.9	I216 A272	G214-I216 WeakPolarHBondContact O-CG1 3.32Å; G214-I216 PolarHBondContact O-N 2.79Å; G214-A272 PolarHBondContact N-O 3.33Å
215	P	93.9	Very high	93.5	Very high	22 Å²	22	30.1 Å²	30.1	14%	0.143	17%	0.173	C	C	.	.	S	Bend	trans	-69.6	118.6	166	28.3	-31	0	0	0	109.8	L225 F236 A244 G245	P215-L225 HydrophobicContact CB-CD1 4.29Å; P215-F236 HydrophobicContact CB-CD1 4.06Å; P215-F236 HydrophobicContact CB-CE1 3.45Å; P215-F236 VanDerWaalsContact CB-CE1 3.45Å; P215-F236 HydrophobicContact CB-CZ 4.19Å; P215-F236 HydrophobicContact CG-CD1 3.78Å; P215-F236 HydrophobicContact CG-CE1 3.7Å; P215-A244 WeakPolarHBondContact O-CB 3.3Å; P215-G245 PolarHBondContact O-N 3.07Å
216	I	96.8	Very high	92.5	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-115.5	117.3	-174.7	-53.7	-54.6	0	0	0	111.4	I45 P213 G214 T219 Y222 G245 N246 K247 M250	I45-I216 HydrophobicContact CD1-CB 4.28Å; I45-I216 HydrophobicContact CD1-CG1 4.03Å; I45-I216 HydrophobicContact CD1-CG2 4.39Å; I45-I216 HydrophobicContact CG1-CG2 4.28Å; P213-I216 HydrophobicContact CB-CD1 4.2Å; P213-I216 HydrophobicContact CB-CG1 3.84Å; G214-I216 WeakPolarHBondContact O-CG1 3.32Å; G214-I216 PolarHBondContact O-N 2.79Å; I216-T219 HydrophobicContact CB-CG2 4.02Å; I216-T219 HydrophobicContact CG2-CG2 3.85Å; I216-T219 WeakPolarHBondContact O-CB 3.47Å; I216-T219 WeakPolarHBondContact O-CG2 3.43Å; I216-T219 PolarHBondContact O-OG1 2.96Å; I216-Y222 WeakPolarHBondContact O-CB 3.47Å; I216-G245 CarbonylContact C-O 3.56Å; I216-G245 VanDerWaalsContact CA-O 3.28Å; I216-G245 WeakPolarHBondContact CA-O 3.43Å; I216-N246 VanDerWaalsContact CG2-C 3.4Å; I216-K247 HydrophobicContact CG2-CG 3.95Å; I216-M250 HydrophobicContact CD1-CE 3.92Å; I216-M250 HydrophobicContact CD1-CG 3.63Å; I216-M250 HydrophobicContact CD1-SD 3.66Å; I216-M250 HydrophobicContact CG1-CG 3.81Å; I216-M250 HydrophobicContact CG1-SD 4.22Å; I216-M250 HydrophobicContact CG2-CG 4.28Å
217	S	95.1	Very high	91.8	Very high	20 Å²	20	29.3 Å²	29.3	14%	0.14	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	154.8	-179.4	63.9	0	0	0	0	113.3	T219 G245 K247	S217-T219 PolarHBondContact O-N 2.92Å; S217-G245 PolarHBondContact N-O 3.04Å; S217-G245 PolarHBondContact OG-O 2.99Å; S217-K247 PolarHBondContact O-NZ 3.32Å
218	G	91.6	Very high	90.9	Very high	11 Å²	11	31.6 Å²	31.6	11%	0.113	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	20.1	-177.3	0	0	0	0	0	114.9	D14	D14-G218 VanDerWaalsContact O-CA 3.22Å; D14-G218 WeakPolarHBondContact O-CA 3.36Å
219	T	94.2	Very high	90.1	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.086	22%	0.215	C	C	.	.	S	Bend	trans	-114.4	156.5	177	70.8	0	0	0	0	112.6	I45 I216 S217 G221 Y222 R223 K247	I45-T219 HydrophobicContact CD1-CG2 4.42Å; I45-T219 HydrophobicContact CG1-CG2 3.9Å; I216-T219 HydrophobicContact CB-CG2 4.02Å; I216-T219 HydrophobicContact CG2-CG2 3.85Å; I216-T219 WeakPolarHBondContact O-CB 3.47Å; I216-T219 WeakPolarHBondContact O-CG2 3.43Å; I216-T219 PolarHBondContact O-OG1 2.96Å; S217-T219 PolarHBondContact O-N 2.92Å; T219-G221 PolarHBondContact O-N 2.93Å; T219-Y222 PolarHBondContact O-N 3.24Å; T219-Y222 WeakPolarHBondContact OG1-CB 3.29Å; T219-Y222 PolarHBondContact OG1-N 3.36Å; T219-Y222 VanDerWaalsContact OG1-N 3.13Å; T219-R223 PolarHBondContact O-N 3.35Å; T219-K247 HydrophobicContact CG2-CD 4.09Å; T219-K247 HydrophobicContact CG2-CG 3.83Å
220	E	88.6	Confident	89.3	Confident	90 Å²	90	35.9 Å²	35.9	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-57.8	-38	171.4	-177.1	62.3	-140.4	0	0	112.1	R223 K224	E220-R223 PolarHBondContact O-N 3.31Å; E220-R223 IonicContact OE1-NH1 2.72Å; E220-R223 IonicContact OE2-CZ 3.18Å; E220-R223 IonicContact OE2-NH1 3.09Å; E220-R223 PolarHBondContact OE2-NH1 2.75Å; E220-R223 IonicContact OE2-NH2 2.68Å; E220-R223 PolarHBondContact OE2-NH2 2.51Å; E220-K224 HydrophobicContact CG-CD 4.45Å; E220-K224 WeakPolarHBondContact O-CG 3.22Å; E220-K224 PolarHBondContact O-N 3.38Å; E220-K224 VanDerWaalsContact O-N 3.13Å; E220-K224 WeakPolarHBondContact OE1-CE 3.43Å; E220-K224 IonicContact OE1-NZ 3.7Å
221	G	85.3	Confident	88.5	Confident	38 Å²	38	39.4 Å²	39.4	39%	0.392	24%	0.237	S	C	.	.	H	α-helix	trans	-61.7	-47.5	176.9	0	0	0	0	0	112.1	T219 K224 L225	T219-G221 PolarHBondContact O-N 2.93Å; G221-K224 WeakPolarHBondContact O-CB 2.93Å; G221-K224 PolarHBondContact O-N 3.04Å; G221-L225 WeakPolarHBondContact O-CG 3.45Å; G221-L225 PolarHBondContact O-N 2.66Å
222	Y	88.3	Confident	87.8	Confident	8 Å²	8	43.8 Å²	43.8	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-40.1	177.6	169.3	-91	0	0	0	113	I216 T219 K224 L225 G227 P228 E231 F236 A244	I216-Y222 WeakPolarHBondContact O-CB 3.47Å; T219-Y222 PolarHBondContact O-N 3.24Å; T219-Y222 WeakPolarHBondContact OG1-CB 3.29Å; T219-Y222 PolarHBondContact OG1-N 3.36Å; T219-Y222 VanDerWaalsContact OG1-N 3.13Å; Y222-K224 VanDerWaalsContact C-N 3.27Å; Y222-K224 PolarHBondContact O-N 2.68Å; Y222-L225 WeakPolarHBondContact O-CB 3.29Å; Y222-L225 PolarHBondContact O-N 3.03Å; Y222-G227 VanDerWaalsContact CE1-C 3.44Å; Y222-G227 VanDerWaalsContact CZ-C 3.5Å; Y222-G227 WeakPolarHBondContact O-CA 3.46Å; Y222-G227 PolarHBondContact O-N 3.25Å; Y222-G227 VanDerWaalsContact OH-C 3.24Å; Y222-G227 PolarHBondContact OH-O 3.37Å; Y222-P228 HydrophobicContact CE1-CG 4.36Å; Y222-E231 WeakPolarHBondContact OH-CB 3.37Å; Y222-E231 PolarHBondContact OH-OE2 3.17Å; Y222-F236 HydrophobicContact CD2-CE2 4.13Å; Y222-F236 AromaticContact CD2-CZ 3.82Å; Y222-F236 HydrophobicContact CD2-CZ 3.82Å; Y222-F236 HydrophobicContact CE2-CD2 4.27Å; Y222-F236 AromaticContact CE2-CE2 3.33Å; Y222-F236 HydrophobicContact CE2-CE2 3.33Å; Y222-F236 AromaticContact CE2-CZ 3.51Å; Y222-F236 HydrophobicContact CE2-CZ 3.51Å; Y222-A244 HydrophobicContact CD2-CB 4.27Å; Y222-A244 HydrophobicContact CE2-CB 3.87Å
223	R	88.6	Confident	87.1	Confident	133 Å²	133	47.6 Å²	47.6	50%	0.502	30%	0.304	S	S	.	.	H	α-helix	trans	-59.5	-37.8	173.9	-74.6	-172.5	-81.3	106	0.4	112.2	T219 E220 L225 G226	T219-R223 PolarHBondContact O-N 3.35Å; E220-R223 PolarHBondContact O-N 3.31Å; E220-R223 IonicContact OE1-NH1 2.72Å; E220-R223 IonicContact OE2-CZ 3.18Å; E220-R223 IonicContact OE2-NH1 3.09Å; E220-R223 PolarHBondContact OE2-NH1 2.75Å; E220-R223 IonicContact OE2-NH2 2.68Å; E220-R223 PolarHBondContact OE2-NH2 2.51Å; R223-L225 VanDerWaalsContact C-N 3.28Å; R223-L225 PolarHBondContact O-N 3.32Å; R223-G226 PolarHBondContact O-N 2.88Å; R223-G226 VanDerWaalsContact O-N 3.11Å
224	K	81.9	Confident	86.4	Confident	73 Å²	73	48.1 Å²	48.1	32%	0.317	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-28.7	175.6	-74.7	169.1	175.6	164.2	0	113.5	N122 L124 E220 G221 Y222 G226	N122-K224 PolarHBondContact O-NZ 3.26Å; L124-K224 WeakPolarHBondContact CD1-O 3.44Å; E220-K224 HydrophobicContact CG-CD 4.45Å; E220-K224 WeakPolarHBondContact O-CG 3.22Å; E220-K224 PolarHBondContact O-N 3.38Å; E220-K224 VanDerWaalsContact O-N 3.13Å; E220-K224 WeakPolarHBondContact OE1-CE 3.43Å; E220-K224 IonicContact OE1-NZ 3.7Å; G221-K224 WeakPolarHBondContact O-CB 2.93Å; G221-K224 PolarHBondContact O-N 3.04Å; Y222-K224 VanDerWaalsContact C-N 3.27Å; Y222-K224 PolarHBondContact O-N 2.68Å; K224-G226 PolarHBondContact O-N 3.49Å
225	L	76	Confident	85.8	Confident	93 Å²	93	50.6 Å²	50.6	49%	0.487	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	7	173.9	-61	175.3	0	0	0	113.4	P215 G221 Y222 R223	P215-L225 HydrophobicContact CB-CD1 4.29Å; G221-L225 WeakPolarHBondContact O-CG 3.45Å; G221-L225 PolarHBondContact O-N 2.66Å; Y222-L225 WeakPolarHBondContact O-CB 3.29Å; Y222-L225 PolarHBondContact O-N 3.03Å; R223-L225 VanDerWaalsContact C-N 3.28Å; R223-L225 PolarHBondContact O-N 3.32Å
226	G	77.2	Confident	85.4	Confident	33 Å²	33	50.3 Å²	50.3	34%	0.34	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.6	-6.3	179.8	0	0	0	0	0	114	R223 K224 A229 A230	R223-G226 PolarHBondContact O-N 2.88Å; R223-G226 VanDerWaalsContact O-N 3.11Å; K224-G226 PolarHBondContact O-N 3.49Å; G226-A229 PolarHBondContact O-N 3.48Å; G226-A230 PolarHBondContact O-N 3.22Å
227	G	83.9	Confident	84.9	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	56.8	-144.3	168.6	0	0	0	0	0	114.2	Y222 A229 A230 E231	Y222-G227 VanDerWaalsContact CE1-C 3.44Å; Y222-G227 VanDerWaalsContact CZ-C 3.5Å; Y222-G227 WeakPolarHBondContact O-CA 3.46Å; Y222-G227 PolarHBondContact O-N 3.25Å; Y222-G227 VanDerWaalsContact OH-C 3.24Å; Y222-G227 PolarHBondContact OH-O 3.37Å; G227-A229 PolarHBondContact O-N 3.13Å; G227-A229 VanDerWaalsContact O-N 3.16Å; G227-A230 WeakPolarHBondContact O-CB 3.28Å; G227-A230 PolarHBondContact O-N 3.35Å; G227-E231 PolarHBondContact O-N 2.69Å; G227-E231 VanDerWaalsContact O-N 3.08Å
228	P	80.9	Confident	84.5	Confident	85 Å²	85	56.5 Å²	56.5	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-58.8	-30	-178	-26.3	36	0	0	0	114	Y222 E231 A232	Y222-P228 HydrophobicContact CE1-CG 4.36Å; P228-E231 PolarHBondContact O-N 3.23Å; P228-A232 WeakPolarHBondContact O-CB 3.42Å; P228-A232 PolarHBondContact O-N 3.29Å
229	A	82.8	Confident	84.6	Confident	77 Å²	77	56.1 Å²	56.1	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-68	-40.8	177.1	0	0	0	0	0	111.8	G226 G227 E231 A233	G226-A229 PolarHBondContact O-N 3.48Å; G227-A229 PolarHBondContact O-N 3.13Å; G227-A229 VanDerWaalsContact O-N 3.16Å; A229-E231 VanDerWaalsContact C-N 3.35Å; A229-A233 WeakPolarHBondContact O-CB 3.49Å; A229-A233 PolarHBondContact O-N 3.43Å
230	A	81.3	Confident	84.6	Confident	13 Å²	13	58.8 Å²	58.8	11%	0.107	38%	0.375	C	S	.	.	H	α-helix	trans	-66.4	-38.8	173.8	0	0	0	0	0	111.5	G226 G227 A233 G234 S235	G226-A230 PolarHBondContact O-N 3.22Å; G227-A230 WeakPolarHBondContact O-CB 3.28Å; G227-A230 PolarHBondContact O-N 3.35Å; A230-A233 CarbonylContact O-C 3.52Å; A230-A233 PolarHBondContact O-N 3.39Å; A230-G234 PolarHBondContact O-N 3.46Å; A230-S235 WeakPolarHBondContact O-CB 3.45Å; A230-S235 PolarHBondContact O-N 3.16Å; A230-S235 PolarHBondContact O-OG 2.85Å
231	E	82.3	Confident	84.9	Confident	75 Å²	75	58.2 Å²	58.2	35%	0.35	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-48	175.4	-175.1	154.3	-167.5	0	0	112.5	Y222 G227 P228 A229 A233 G234 F236	Y222-E231 WeakPolarHBondContact OH-CB 3.37Å; Y222-E231 PolarHBondContact OH-OE2 3.17Å; G227-E231 PolarHBondContact O-N 2.69Å; G227-E231 VanDerWaalsContact O-N 3.08Å; P228-E231 PolarHBondContact O-N 3.23Å; A229-E231 VanDerWaalsContact C-N 3.35Å; E231-A233 PolarHBondContact O-N 2.87Å; E231-G234 WeakPolarHBondContact O-CA 3.5Å; E231-G234 PolarHBondContact O-N 3.44Å; E231-F236 HydrophobicContact CB-CD2 3.69Å; E231-F236 HydrophobicContact CB-CE2 3.77Å; E231-F236 HydrophobicContact CG-CD2 3.88Å; E231-F236 HydrophobicContact CG-CE2 4.4Å
232	A	82.8	Confident	85.2	Confident	94 Å²	94	61.2 Å²	61.2	78%	0.777	38%	0.381	S	S	*	.	H	α-helix	trans	-60.4	-30.9	175.4	0	0	0	0	0	112.3	P228 G234	P228-A232 WeakPolarHBondContact O-CB 3.42Å; P228-A232 PolarHBondContact O-N 3.29Å; A232-G234 PolarHBondContact O-N 2.98Å
233	A	84	Confident	85.4	Confident	79 Å²	79	63.9 Å²	63.9	65%	0.653	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	3.7	173.4	0	0	0	0	0	114	A229 A230 E231	A229-A233 WeakPolarHBondContact O-CB 3.49Å; A229-A233 PolarHBondContact O-N 3.43Å; A230-A233 CarbonylContact O-C 3.52Å; A230-A233 PolarHBondContact O-N 3.39Å; E231-A233 PolarHBondContact O-N 2.87Å
234	G	83.8	Confident	85.7	Confident	27 Å²	27	57.9 Å²	57.9	28%	0.278	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	14.6	177.1	0	0	0	0	0	114.8	A230 E231 A232 F236 Q237	A230-G234 PolarHBondContact O-N 3.46Å; E231-G234 WeakPolarHBondContact O-CA 3.5Å; E231-G234 PolarHBondContact O-N 3.44Å; A232-G234 PolarHBondContact O-N 2.98Å; G234-F236 PolarHBondContact O-N 3.43Å; G234-Q237 VanDerWaalsContact O-CB 3.32Å; G234-Q237 WeakPolarHBondContact O-CB 3.35Å; G234-Q237 PolarHBondContact O-N 3.18Å
235	S	81.8	Confident	86.3	Confident	71 Å²	71	55.1 Å²	55.1	50%	0.497	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.7	-175.7	-56	0	0	0	0	113.7	A230	A230-S235 WeakPolarHBondContact O-CB 3.45Å; A230-S235 PolarHBondContact O-N 3.16Å; A230-S235 PolarHBondContact O-OG 2.85Å
236	F	85.9	Confident	87.3	Confident	16 Å²	16	51.4 Å²	51.4	7%	0.07	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	0.7	177.1	-54.5	-64.5	0	0	0	113.9	P215 Y222 E231 G234 G238 V239 Q242 A244	P215-F236 HydrophobicContact CB-CD1 4.06Å; P215-F236 HydrophobicContact CB-CE1 3.45Å; P215-F236 VanDerWaalsContact CB-CE1 3.45Å; P215-F236 HydrophobicContact CB-CZ 4.19Å; P215-F236 HydrophobicContact CG-CD1 3.78Å; P215-F236 HydrophobicContact CG-CE1 3.7Å; Y222-F236 HydrophobicContact CD2-CE2 4.13Å; Y222-F236 AromaticContact CD2-CZ 3.82Å; Y222-F236 HydrophobicContact CD2-CZ 3.82Å; Y222-F236 HydrophobicContact CE2-CD2 4.27Å; Y222-F236 AromaticContact CE2-CE2 3.33Å; Y222-F236 HydrophobicContact CE2-CE2 3.33Å; Y222-F236 AromaticContact CE2-CZ 3.51Å; Y222-F236 HydrophobicContact CE2-CZ 3.51Å; E231-F236 HydrophobicContact CB-CD2 3.69Å; E231-F236 HydrophobicContact CB-CE2 3.77Å; E231-F236 HydrophobicContact CG-CD2 3.88Å; E231-F236 HydrophobicContact CG-CE2 4.4Å; G234-F236 PolarHBondContact O-N 3.43Å; F236-G238 PolarHBondContact O-N 3.2Å; F236-V239 HydrophobicContact CB-CG2 4.26Å; F236-V239 HydrophobicContact CD1-CG2 4.37Å; F236-V239 VanDerWaalsContact O-CB 3.28Å; F236-V239 WeakPolarHBondContact O-CB 3.24Å; F236-V239 WeakPolarHBondContact O-CG2 3.48Å; F236-V239 PolarHBondContact O-N 3.31Å; F236-Q242 CarbonylContact O-C 3.58Å; F236-A244 HydrophobicContact CD2-CB 4.29Å; F236-A244 HydrophobicContact CG-CB 4.35Å
237	Q	87.4	Confident	88.3	Confident	112 Å²	112	49.9 Å²	49.9	52%	0.523	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.5	174.3	-65.9	-58.4	-49.7	0	0	112.6	G234 V239 Q242	G234-Q237 VanDerWaalsContact O-CB 3.32Å; G234-Q237 WeakPolarHBondContact O-CB 3.35Å; G234-Q237 PolarHBondContact O-N 3.18Å; Q237-V239 VanDerWaalsContact C-N 3.31Å; Q237-Q242 PolarHBondContact NE2-O 2.88Å
238	G	85.9	Confident	89	Confident	43 Å²	43	49.8 Å²	49.8	44%	0.443	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.3	171	0	0	0	0	0	114.2	F236 T279	F236-G238 PolarHBondContact O-N 3.2Å; G238-T279 VanDerWaalsContact O-CB 3.32Å; G238-T279 WeakPolarHBondContact O-CB 3.18Å; G238-T279 PolarHBondContact O-OG1 3.11Å
239	V	92.9	Very high	89.9	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	31%	0.308	C	S	.	.	S	Bend	trans	-70.2	137.3	171.4	-179.5	0	0	0	0	108	F236 Q237 V241 Q242 G274 A276	F236-V239 HydrophobicContact CB-CG2 4.26Å; F236-V239 HydrophobicContact CD1-CG2 4.37Å; F236-V239 VanDerWaalsContact O-CB 3.28Å; F236-V239 WeakPolarHBondContact O-CB 3.24Å; F236-V239 WeakPolarHBondContact O-CG2 3.48Å; F236-V239 PolarHBondContact O-N 3.31Å; Q237-V239 VanDerWaalsContact C-N 3.31Å; V239-V241 VanDerWaalsContact C-N 3.28Å; V239-V241 HydrophobicContact CG1-CG2 3.92Å; V239-V241 PolarHBondContact O-N 3.24Å; V239-Q242 WeakPolarHBondContact O-CA 3.4Å; V239-Q242 PolarHBondContact O-N 2.78Å; V239-G274 WeakPolarHBondContact CG1-O 2.82Å; V239-A276 HydrophobicContact CG1-CB 4.02Å; V239-A276 HydrophobicContact CG2-CB 3.91Å
240	P	95.6	Very high	90.6	Very high	71 Å²	71	44.3 Å²	44.3	46%	0.461	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.1	-177	-30.3	38.2	0	0	0	114.7	Q242 G274 G275 T279	P240-Q242 VanDerWaalsContact C-N 3.26Å; P240-Q242 PolarHBondContact O-N 2.81Å; P240-G274 WeakPolarHBondContact CB-O 3.43Å; P240-G274 WeakPolarHBondContact CD-O 3.4Å; P240-G275 VanDerWaalsContact CD-C 3.41Å; P240-G275 WeakPolarHBondContact CD-O 3.29Å; P240-T279 WeakPolarHBondContact CD-OG1 3.32Å; P240-T279 HydrophobicContact CG-CG2 3.84Å
241	V	94.6	Very high	91.4	Very high	77 Å²	77	43.7 Å²	43.7	47%	0.467	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	3.7	172.3	-56.3	0	0	0	0	113.9	V239 R243 G274	V239-V241 VanDerWaalsContact C-N 3.28Å; V239-V241 HydrophobicContact CG1-CG2 3.92Å; V239-V241 PolarHBondContact O-N 3.24Å; V241-R243 VanDerWaalsContact C-N 3.33Å; V241-R243 HydrophobicContact CG2-CG 4.21Å; V241-R243 PolarHBondContact O-N 3.29Å; V241-G274 PolarHBondContact N-O 3.01Å
242	Q	92.4	Very high	92.2	Very high	102 Å²	102	41.1 Å²	41.1	48%	0.477	26%	0.262	S	S	.	.	S	Bend	trans	61.7	26.6	170	-53.5	-173.2	-56.8	0	0	116.4	F236 Q237 V239 P240	F236-Q242 CarbonylContact O-C 3.58Å; Q237-Q242 PolarHBondContact NE2-O 2.88Å; V239-Q242 WeakPolarHBondContact O-CA 3.4Å; V239-Q242 PolarHBondContact O-N 2.78Å; P240-Q242 VanDerWaalsContact C-N 3.26Å; P240-Q242 PolarHBondContact O-N 2.81Å
243	R	92.1	Very high	93	Very high	64 Å²	64	38 Å²	38	24%	0.242	24%	0.235	C	C	.	.	S	Bend	trans	-155.5	166.4	177	60.7	170.9	178.9	86.5	-1.2	111.8	V241 E249	V241-R243 VanDerWaalsContact C-N 3.33Å; V241-R243 HydrophobicContact CG2-CG 4.21Å; V241-R243 PolarHBondContact O-N 3.29Å; R243-E249 IonicContact CZ-OE1 3.77Å; R243-E249 IonicContact CZ-OE2 2.89Å; R243-E249 IonicContact NH1-OE1 2.9Å; R243-E249 PolarHBondContact NH1-OE1 3.29Å; R243-E249 IonicContact NH1-OE2 2.74Å; R243-E249 PolarHBondContact NH1-OE2 3.13Å; R243-E249 IonicContact NH2-OE1 3.77Å; R243-E249 PolarHBondContact NH2-OE1 3.24Å; R243-E249 IonicContact NH2-OE2 3.12Å
244	A	93.5	Very high	93.7	Very high	7 Å²	7	34.2 Å²	34.2	6%	0.058	20%	0.204	C	C	.	.			trans	-68.7	152.1	159.9	0	0	0	0	0	110.6	P215 Y222 F236	P215-A244 WeakPolarHBondContact O-CB 3.3Å; Y222-A244 HydrophobicContact CD2-CB 4.27Å; Y222-A244 HydrophobicContact CE2-CB 3.87Å; F236-A244 HydrophobicContact CD2-CB 4.29Å; F236-A244 HydrophobicContact CG-CB 4.35Å
245	G	96	Very high	94.4	Very high	15 Å²	15	33 Å²	33	16%	0.155	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-72.6	166.7	164.5	0	0	0	0	0	110.7	P215 I216 S217 E249	P215-G245 PolarHBondContact O-N 3.07Å; I216-G245 CarbonylContact C-O 3.56Å; I216-G245 VanDerWaalsContact CA-O 3.28Å; I216-G245 WeakPolarHBondContact CA-O 3.43Å; S217-G245 PolarHBondContact N-O 3.04Å; S217-G245 PolarHBondContact OG-O 2.99Å; G245-E249 WeakPolarHBondContact CA-OE2 3.48Å
246	N	97	Very high	95.2	Very high	14 Å²	14	32.5 Å²	32.5	8%	0.075	18%	0.179	C	C	.	.			trans	-115.7	167.4	172.3	82.7	32.7	0	0	0	111.2	P10 D12 I216 T248 E249 M250	P10-N246 PolarHBondContact O-ND2 3.25Å; D12-N246 HydrophobicContact CB-CB 3.86Å; D12-N246 WeakPolarHBondContact OD2-CB 3.29Å; I216-N246 VanDerWaalsContact CG2-C 3.4Å; N246-T248 VanDerWaalsContact C-N 3.27Å; N246-T248 PolarHBondContact O-N 2.84Å; N246-T248 WeakPolarHBondContact OD1-CA 3.34Å; N246-T248 WeakPolarHBondContact OD1-CB 3.49Å; N246-T248 PolarHBondContact OD1-N 3.06Å; N246-E249 PolarHBondContact N-OE2 2.9Å; N246-E249 PolarHBondContact O-N 3.12Å; N246-E249 WeakPolarHBondContact OD1-CG 3.44Å; N246-E249 PolarHBondContact OD1-N 3.2Å; N246-M250 PolarHBondContact O-N 3.3Å
247	K	98.4	Very high	95.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-32.2	-175	-67.1	173.9	-63.2	-50.5	0	111.8	D12 V13 I45 R48 I216 S217 T219 M250 A251	D12-K247 VanDerWaalsContact CG-NZ 3.31Å; D12-K247 WeakPolarHBondContact OD1-CE 3.43Å; D12-K247 IonicContact OD1-NZ 3.64Å; D12-K247 PolarHBondContact OD1-NZ 3.24Å; D12-K247 WeakPolarHBondContact OD2-CB 3.48Å; D12-K247 PolarHBondContact OD2-N 2.84Å; D12-K247 IonicContact OD2-NZ 2.77Å; D12-K247 PolarHBondContact OD2-NZ 2.53Å; V13-K247 VanDerWaalsContact O-CE 3.22Å; V13-K247 WeakPolarHBondContact O-CE 3.46Å; V13-K247 PolarHBondContact O-NZ 2.82Å; I45-K247 HydrophobicContact CG1-CG 4.4Å; R48-K247 HydrophobicContact CB-CB 3.69Å; R48-K247 HydrophobicContact CG-CB 3.88Å; I216-K247 HydrophobicContact CG2-CG 3.95Å; S217-K247 PolarHBondContact O-NZ 3.32Å; T219-K247 HydrophobicContact CG2-CD 4.09Å; T219-K247 HydrophobicContact CG2-CG 3.83Å; K247-M250 PolarHBondContact O-N 3.37Å; K247-A251 PolarHBondContact O-N 2.75Å
248	T	98.6	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.5	-38.6	-178.1	-55.9	0	0	0	0	111.4	P10 E11 L19 Y22 R48 I52 N246 M250 A251 H252	P10-T248 HydrophobicContact CB-CG2 3.79Å; P10-T248 HydrophobicContact CG-CG2 4.28Å; E11-T248 WeakPolarHBondContact O-CB 3.31Å; E11-T248 WeakPolarHBondContact O-CG2 3.14Å; E11-T248 PolarHBondContact O-OG1 2.94Å; L19-T248 HydrophobicContact CD1-CG2 4.45Å; Y22-T248 HydrophobicContact CE2-CG2 4.37Å; R48-T248 WeakPolarHBondContact CD-OG1 3.11Å; R48-T248 PolarHBondContact NE-OG1 3.42Å; I52-T248 HydrophobicContact CD1-CG2 4.15Å; I52-T248 HydrophobicContact CG1-CG2 4.47Å; N246-T248 VanDerWaalsContact C-N 3.27Å; N246-T248 PolarHBondContact O-N 2.84Å; N246-T248 WeakPolarHBondContact OD1-CA 3.34Å; N246-T248 WeakPolarHBondContact OD1-CB 3.49Å; N246-T248 PolarHBondContact OD1-N 3.06Å; T248-M250 VanDerWaalsContact C-N 3.28Å; T248-M250 PolarHBondContact O-N 3.24Å; T248-A251 CarbonylContact O-C 3.53Å; T248-A251 WeakPolarHBondContact O-CB 3.41Å; T248-A251 PolarHBondContact O-N 2.94Å; T248-A251 VanDerWaalsContact O-N 3.13Å; T248-H252 PolarHBondContact O-N 3.35Å
249	E	98.2	Very high	97	Very high	39 Å²	39	24.8 Å²	24.8	18%	0.182	13%	0.133	C	C	.	.	H	α-helix	trans	-59.2	-39.9	171.9	-65.7	176.4	103.9	0	0	111.9	P10 R243 G245 N246 H252 C253	P10-E249 HydrophobicContact CG-CG 3.53Å; R243-E249 IonicContact CZ-OE1 3.77Å; R243-E249 IonicContact CZ-OE2 2.89Å; R243-E249 IonicContact NH1-OE1 2.9Å; R243-E249 PolarHBondContact NH1-OE1 3.29Å; R243-E249 IonicContact NH1-OE2 2.74Å; R243-E249 PolarHBondContact NH1-OE2 3.13Å; R243-E249 IonicContact NH2-OE1 3.77Å; R243-E249 PolarHBondContact NH2-OE1 3.24Å; R243-E249 IonicContact NH2-OE2 3.12Å; G245-E249 WeakPolarHBondContact CA-OE2 3.48Å; N246-E249 PolarHBondContact N-OE2 2.9Å; N246-E249 PolarHBondContact O-N 3.12Å; N246-E249 WeakPolarHBondContact OD1-CG 3.44Å; N246-E249 PolarHBondContact OD1-N 3.2Å; E249-H252 PolarHBondContact O-N 3.47Å; E249-C253 PolarHBondContact O-N 2.97Å; E249-C253 VanDerWaalsContact O-N 3.13Å; E249-C253 PolarHBondContact O-SG 3.04Å
250	M	98.5	Very high	97.2	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-39.1	175.7	-62.3	-55.1	94.9	0	0	111.7	I45 P213 I216 N246 K247 T248 H252 C253 A254 A272	I45-M250 HydrophobicContact CD1-CG 4.32Å; I45-M250 HydrophobicContact CG2-CB 3.97Å; P213-M250 HydrophobicContact CB-CG 4.27Å; P213-M250 HydrophobicContact CB-SD 3.56Å; P213-M250 VanDerWaalsContact CB-SD 3.56Å; P213-M250 HydrophobicContact CG-CG 4.48Å; P213-M250 HydrophobicContact CG-SD 3.91Å; I216-M250 HydrophobicContact CD1-CE 3.92Å; I216-M250 HydrophobicContact CD1-CG 3.63Å; I216-M250 HydrophobicContact CD1-SD 3.66Å; I216-M250 HydrophobicContact CG1-CG 3.81Å; I216-M250 HydrophobicContact CG1-SD 4.22Å; I216-M250 HydrophobicContact CG2-CG 4.28Å; N246-M250 PolarHBondContact O-N 3.3Å; K247-M250 PolarHBondContact O-N 3.37Å; T248-M250 VanDerWaalsContact C-N 3.28Å; T248-M250 PolarHBondContact O-N 3.24Å; M250-H252 VanDerWaalsContact C-N 3.33Å; M250-C253 PolarHBondContact O-N 3.3Å; M250-A254 PolarHBondContact O-N 3.01Å; M250-A272 HydrophobicContact CE-CB 3.71Å; M250-A272 WeakPolarHBondContact CE-O 3.31Å; M250-A272 HydrophobicContact SD-CB 4.08Å
251	A	98.8	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-35.9	175.6	0	0	0	0	0	112.4	R48 I49 I52 K247 T248 A254 L255	R48-A251 HydrophobicContact CB-CB 4.49Å; R48-A251 HydrophobicContact CG-CB 3.89Å; I49-A251 HydrophobicContact CG1-CB 4.1Å; I52-A251 HydrophobicContact CB-CB 3.87Å; I52-A251 HydrophobicContact CG1-CB 3.6Å; I52-A251 HydrophobicContact CG2-CB 4.29Å; K247-A251 PolarHBondContact O-N 2.75Å; T248-A251 CarbonylContact O-C 3.53Å; T248-A251 WeakPolarHBondContact O-CB 3.41Å; T248-A251 PolarHBondContact O-N 2.94Å; T248-A251 VanDerWaalsContact O-N 3.13Å; A251-A254 PolarHBondContact O-N 3.18Å; A251-L255 VanDerWaalsContact O-CB 3.24Å; A251-L255 WeakPolarHBondContact O-CB 3.24Å; A251-L255 PolarHBondContact O-N 2.74Å
252	H	98.8	Very high	97.4	Very high	20 Å²	20	28.1 Å²	28.1	9%	0.093	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-40.6	172.4	-69.7	164.3	0	0	0	112.7	Y22 Y26 T248 E249 M250 L255 F256	Y22-H252 AromaticContact CE2-NE2 3.5Å; Y22-H252 AromaticContact CZ-NE2 3.65Å; Y22-H252 PolarHBondContact OH-NE2 3.22Å; Y26-H252 HydrophobicContact CE2-CB 4.32Å; T248-H252 PolarHBondContact O-N 3.35Å; E249-H252 PolarHBondContact O-N 3.47Å; M250-H252 VanDerWaalsContact C-N 3.33Å; H252-L255 PolarHBondContact O-N 3.39Å; H252-F256 PolarHBondContact O-N 3.26Å
253	C	98.7	Very high	97.7	Very high	29 Å²	29	27.5 Å²	27.5	20%	0.196	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-44.8	174.3	-65.7	0	0	0	0	111.5	V211 E249 M250 L255 F256 L257 L270 A272	V211-C253 HydrophobicContact CG2-CB 3.84Å; E249-C253 PolarHBondContact O-N 2.97Å; E249-C253 VanDerWaalsContact O-N 3.13Å; E249-C253 PolarHBondContact O-SG 3.04Å; M250-C253 PolarHBondContact O-N 3.3Å; C253-L255 VanDerWaalsContact C-N 3.34Å; C253-L255 PolarHBondContact O-N 3.18Å; C253-F256 PolarHBondContact O-N 3.04Å; C253-L257 WeakPolarHBondContact O-CG 3.2Å; C253-L257 PolarHBondContact O-N 3.33Å; C253-L257 VanDerWaalsContact O-N 3.11Å; C253-L270 HydrophobicContact CB-CD2 4Å; C253-A272 HydrophobicContact CB-CB 4.49Å
254	A	98.8	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-40.6	175.6	0	0	0	0	0	111.7	I49 F53 M250 A251 L257 A258	I49-A254 HydrophobicContact CD1-CB 3.93Å; I49-A254 HydrophobicContact CG1-CB 3.98Å; I49-A254 HydrophobicContact CG2-CB 4.36Å; F53-A254 HydrophobicContact CE1-CB 4.29Å; F53-A254 HydrophobicContact CZ-CB 4.33Å; M250-A254 PolarHBondContact O-N 3.01Å; A251-A254 PolarHBondContact O-N 3.18Å; A254-L257 PolarHBondContact O-N 3.5Å; A254-A258 WeakPolarHBondContact O-CB 3.35Å; A254-A258 PolarHBondContact O-N 3.26Å
255	L	98.9	Very high	98.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-45.3	177.6	178	63	0	0	0	111.5	Y26 L30 L31 I52 F53 H56 A251 H252 C253 A258 S259	Y26-L255 HydrophobicContact CD2-CD2 3.58Å; Y26-L255 HydrophobicContact CD2-CG 4.42Å; Y26-L255 HydrophobicContact CE2-CD2 4.22Å; Y26-L255 HydrophobicContact CG-CD2 3.98Å; L30-L255 HydrophobicContact CD2-CD1 3.99Å; L30-L255 HydrophobicContact CD2-CD2 4.2Å; L30-L255 HydrophobicContact CD2-CG 3.92Å; L31-L255 HydrophobicContact CD1-CD1 3.45Å; L31-L255 VanDerWaalsContact CD1-CD1 3.45Å; L31-L255 HydrophobicContact CD2-CD1 4.36Å; L31-L255 HydrophobicContact CG-CD1 3.73Å; I52-L255 HydrophobicContact CG2-CD2 3.95Å; F53-L255 HydrophobicContact CD1-CB 4.32Å; F53-L255 HydrophobicContact CD1-CD1 4.02Å; F53-L255 VanDerWaalsContact CE1-CA 3.49Å; F53-L255 HydrophobicContact CE1-CB 3.84Å; F53-L255 HydrophobicContact CE1-CD1 4.1Å; H56-L255 HydrophobicContact CB-CD1 4.34Å; H56-L255 WeakPolarHBondContact CD2-CD2 3.32Å; A251-L255 VanDerWaalsContact O-CB 3.24Å; A251-L255 WeakPolarHBondContact O-CB 3.24Å; A251-L255 PolarHBondContact O-N 2.74Å; H252-L255 PolarHBondContact O-N 3.39Å; C253-L255 VanDerWaalsContact C-N 3.34Å; C253-L255 PolarHBondContact O-N 3.18Å; L255-A258 PolarHBondContact O-N 3.06Å; L255-S259 WeakPolarHBondContact O-CB 3.39Å; L255-S259 PolarHBondContact O-N 2.86Å; L255-S259 PolarHBondContact O-OG 3.38Å
256	F	98.9	Very high	98.4	Very high	61 Å²	61	39.5 Å²	39.5	27%	0.268	20%	0.2	S	C	.	.	H	α-helix	trans	-55.6	-53.5	173.9	168	-107.7	0	0	0	111.1	H252 C253 A258 S259 A261 S262	H252-F256 PolarHBondContact O-N 3.26Å; C253-F256 PolarHBondContact O-N 3.04Å; F256-A258 VanDerWaalsContact C-N 3.3Å; F256-A258 PolarHBondContact O-N 2.88Å; F256-S259 PolarHBondContact O-N 3.24Å; F256-S259 PolarHBondContact O-OG 2.82Å; F256-S259 VanDerWaalsContact O-OG 3.09Å; F256-A261 HydrophobicContact CD2-CB 3.89Å; F256-A261 HydrophobicContact CE2-CB 4.02Å; F256-S262 VanDerWaalsContact O-CB 3.25Å; F256-S262 WeakPolarHBondContact O-CB 3.31Å; F256-S262 PolarHBondContact O-OG 2.74Å
257	L	98.9	Very high	98.5	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-32.6	-179.3	-68.6	177.3	0	0	0	112.9	N164 V166 R207 N209 V211 C253 A254 S262 V265 L270	N164-L257 PolarHBondContact ND2-O 3.36Å; N164-L257 PolarHBondContact OD1-O 2.88Å; V166-L257 HydrophobicContact CG1-CB 4.39Å; V166-L257 HydrophobicContact CG1-CD1 4.08Å; V166-L257 HydrophobicContact CG2-CB 3.83Å; R207-L257 PolarHBondContact NH1-O 3.18Å; R207-L257 PolarHBondContact NH2-O 3.29Å; N209-L257 HydrophobicContact CB-CD1 4.16Å; N209-L257 HydrophobicContact CB-CD2 4.05Å; N209-L257 HydrophobicContact CB-CG 4.49Å; V211-L257 HydrophobicContact CB-CD1 4.25Å; C253-L257 WeakPolarHBondContact O-CG 3.2Å; C253-L257 PolarHBondContact O-N 3.33Å; C253-L257 VanDerWaalsContact O-N 3.11Å; A254-L257 PolarHBondContact O-N 3.5Å; L257-S262 VanDerWaalsContact C-OG 3.27Å; L257-S262 WeakPolarHBondContact CA-OG 3.49Å; L257-S262 PolarHBondContact O-OG 2.77Å; L257-V265 HydrophobicContact CD2-CG1 4.29Å; L257-L270 HydrophobicContact CD1-CB 4.13Å; L257-L270 HydrophobicContact CD1-CD2 4.24Å; L257-L270 HydrophobicContact CG-CD2 4.31Å
258	A	98.7	Very high	98.5	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-75.9	-29.4	177.5	0	0	0	0	0	113.3	F53 I114 N164 V166 A254 L255 F256	F53-A258 HydrophobicContact CE1-CB 4.45Å; F53-A258 HydrophobicContact CE2-CB 3.89Å; F53-A258 HydrophobicContact CZ-CB 3.53Å; I114-A258 HydrophobicContact CD1-CB 4.08Å; I114-A258 HydrophobicContact CG1-CB 4.38Å; I114-A258 HydrophobicContact CG2-CB 4Å; N164-A258 WeakPolarHBondContact ND2-CA 3.4Å; N164-A258 PolarHBondContact ND2-O 3.3Å; V166-A258 HydrophobicContact CG2-CB 4.41Å; A254-A258 WeakPolarHBondContact O-CB 3.35Å; A254-A258 PolarHBondContact O-N 3.26Å; L255-A258 PolarHBondContact O-N 3.06Å; F256-A258 VanDerWaalsContact C-N 3.3Å; F256-A258 PolarHBondContact O-N 2.88Å
259	S	98.3	Very high	98.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	23%	0.23	C	C	.	.	S	Bend	trans	-88.7	173.9	-170.2	76.8	0	0	0	0	114.9	R207 L255 F256 A261 S262	R207-S259 PolarHBondContact NH2-O 3.35Å; L255-S259 WeakPolarHBondContact O-CB 3.39Å; L255-S259 PolarHBondContact O-N 2.86Å; L255-S259 PolarHBondContact O-OG 3.38Å; F256-S259 PolarHBondContact O-N 3.24Å; F256-S259 PolarHBondContact O-OG 2.82Å; F256-S259 VanDerWaalsContact O-OG 3.09Å; S259-A261 PolarHBondContact O-N 3.06Å; S259-A261 WeakPolarHBondContact OG-CB 3.31Å; S259-A261 PolarHBondContact OG-N 3.16Å; S259-S262 PolarHBondContact O-N 3.25Å; S259-S262 PolarHBondContact O-OG 3.44Å
260	R	96.8	Very high	98.6	Very high	164 Å²	164	44.5 Å²	44.5	62%	0.619	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-61.1	-18.2	172.1	74.8	-175.5	99.4	174	8.8	114.1	L30 S262 S263	L30-R260 HydrophobicContact CD1-CG 4.23Å; R260-S262 PolarHBondContact O-N 3.08Å; R260-S263 WeakPolarHBondContact O-CB 3.42Å; R260-S263 PolarHBondContact O-N 3.35Å; R260-S263 PolarHBondContact O-OG 2.84Å
261	A	97.6	Very high	98.6	Very high	56 Å²	56	46.2 Å²	46.2	46%	0.463	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-65.1	-20.6	177.9	0	0	0	0	0	112.7	F256 S259	F256-A261 HydrophobicContact CD2-CB 3.89Å; F256-A261 HydrophobicContact CE2-CB 4.02Å; S259-A261 PolarHBondContact O-N 3.06Å; S259-A261 WeakPolarHBondContact OG-CB 3.31Å; S259-A261 PolarHBondContact OG-N 3.16Å
262	S	98.3	Very high	98.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-110.6	26.8	177.9	62.3	0	0	0	0	112.4	R207 F256 L257 S259 R260 Y264 V265	R207-S262 VanDerWaalsContact CZ-O 3.22Å; R207-S262 PolarHBondContact NH1-O 3.19Å; R207-S262 PolarHBondContact NH1-OG 3.04Å; R207-S262 PolarHBondContact NH2-OG 2.62Å; F256-S262 VanDerWaalsContact O-CB 3.25Å; F256-S262 WeakPolarHBondContact O-CB 3.31Å; F256-S262 PolarHBondContact O-OG 2.74Å; L257-S262 VanDerWaalsContact C-OG 3.27Å; L257-S262 WeakPolarHBondContact CA-OG 3.49Å; L257-S262 PolarHBondContact O-OG 2.77Å; S259-S262 PolarHBondContact O-N 3.25Å; S259-S262 PolarHBondContact O-OG 3.44Å; R260-S262 PolarHBondContact O-N 3.08Å; S262-Y264 PolarHBondContact O-N 3.32Å; S262-V265 WeakPolarHBondContact O-CB 3.33Å; S262-V265 PolarHBondContact O-N 3.44Å
263	S	98.4	Very high	98.5	Very high	89 Å²	89	46.8 Å²	46.8	62%	0.622	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.6	-174.3	58.5	0	0	0	0	114.8	R207 R260	R207-S263 WeakPolarHBondContact CD-O 3.48Å; R260-S263 WeakPolarHBondContact O-CB 3.42Å; R260-S263 PolarHBondContact O-N 3.35Å; R260-S263 PolarHBondContact O-OG 2.84Å
264	Y	98.7	Very high	98.4	Very high	227 Å²	227	46.9 Å²	46.9	89%	0.89	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	12.4	176.1	-158.3	-119.3	0	0	0	114.2	S262	S262-Y264 PolarHBondContact O-N 3.32Å
265	V	98.9	Very high	98.4	Very high	46 Å²	46	47.6 Å²	47.6	28%	0.279	27%	0.267	S	S	.	.			trans	-107.2	114.7	178.5	-171.9	0	0	0	0	109	R207 N209 L257 S262 A268	R207-V265 PolarHBondContact NH1-O 3.23Å; R207-V265 VanDerWaalsContact NH1-O 3.1Å; N209-V265 PolarHBondContact ND2-O 3.02Å; L257-V265 HydrophobicContact CD2-CG1 4.29Å; S262-V265 WeakPolarHBondContact O-CB 3.33Å; S262-V265 PolarHBondContact O-N 3.44Å; V265-A268 HydrophobicContact CG1-CB 3.67Å
266	T	98.9	Very high	98.2	Very high	65 Å²	65	47.8 Å²	47.8	40%	0.399	27%	0.268	S	S	.	.			trans	-148.4	150	172.8	-164.4	0	0	0	0	109.5	A198 R207 V208 N209 A268	A198-T266 HydrophobicContact CB-CG2 4.42Å; A198-T266 WeakPolarHBondContact CB-OG1 3.29Å; R207-T266 WeakPolarHBondContact CA-OG1 3.22Å; V208-T266 PolarHBondContact N-OG1 3.34Å; V208-T266 VanDerWaalsContact N-OG1 3.1Å; N209-T266 WeakPolarHBondContact OD1-CA 3.36Å; N209-T266 PolarHBondContact OD1-N 3.37Å; T266-A268 PolarHBondContact O-N 2.74Å
267	G	98.8	Very high	98.1	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	27%	0.27	C	S	.	.	S	Bend	trans	71.4	8.4	-175.1	0	0	0	0	0	114.4	A198 V208 N209	A198-G267 VanDerWaalsContact CB-CA 3.5Å; A198-G267 VanDerWaalsContact CB-N 3.33Å; V208-G267 WeakPolarHBondContact O-CA 3.5Å; V208-G267 PolarHBondContact O-N 2.91Å; N209-G267 PolarHBondContact OD1-N 2.88Å
268	A	98.9	Very high	97.9	Very high	35 Å²	35	53.7 Å²	53.7	29%	0.289	30%	0.296	S	S	.	.			trans	-90.9	150	-175	0	0	0	0	0	112.2	N209 A210 V265 T266	N209-A268 CarbonylContact C-O 3.59Å; N209-A268 WeakPolarHBondContact CA-O 3.28Å; N209-A268 WeakPolarHBondContact OD1-CB 3.4Å; N209-A268 PolarHBondContact OD1-N 3.49Å; N209-A268 VanDerWaalsContact OD1-N 3.09Å; A210-A268 PolarHBondContact N-O 2.96Å; V265-A268 HydrophobicContact CG1-CB 3.67Å; T266-A268 PolarHBondContact O-N 2.74Å
269	I	98.8	Very high	97.7	Very high	43 Å²	43	56.9 Å²	56.9	22%	0.221	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	107.3	170.5	-57.8	84	0	0	0	106.9	D191 K195 A210 A212 V271	D191-I269 HydrophobicContact CB-CG1 4.18Å; K195-I269 HydrophobicContact CG-CD1 4.42Å; A210-I269 HydrophobicContact CB-CG1 4.21Å; A210-I269 HydrophobicContact CB-CG2 4.31Å; A212-I269 HydrophobicContact CB-CG2 4.18Å; I269-V271 PolarHBondContact O-N 3.45Å
270	L	98.9	Very high	97.1	Very high	62 Å²	62	58.2 Å²	58.2	33%	0.325	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	105.8	175.2	178.1	60.3	0	0	0	109.2	A210 V211 A212 C253 L257 A272	A210-L270 PolarHBondContact O-N 2.76Å; V211-L270 CarbonylContact C-O 3.6Å; V211-L270 WeakPolarHBondContact CA-O 3.47Å; A212-L270 PolarHBondContact N-O 3.26Å; C253-L270 HydrophobicContact CB-CD2 4Å; L257-L270 HydrophobicContact CD1-CB 4.13Å; L257-L270 HydrophobicContact CD1-CD2 4.24Å; L257-L270 HydrophobicContact CG-CD2 4.31Å; L270-A272 PolarHBondContact O-N 2.68Å
271	V	98.8	Very high	96.3	Very high	45 Å²	45	55 Å²	55	27%	0.273	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.5	172.2	-180	0	0	0	0	109.2	T171 Y174 A212 I269 D273	T171-V271 HydrophobicContact CG2-CB 4.48Å; T171-V271 HydrophobicContact CG2-CG1 3.62Å; T171-V271 HydrophobicContact CG2-CG2 4.05Å; Y174-V271 HydrophobicContact CE2-CG2 4.06Å; A212-V271 HydrophobicContact CB-CG2 4.28Å; I269-V271 PolarHBondContact O-N 3.45Å; V271-D273 HydrophobicContact CG1-CB 4.12Å; V271-D273 WeakPolarHBondContact CG1-OD1 3.18Å
272	A	98.3	Very high	95.7	Very high	18 Å²	18	54.2 Å²	54.2	15%	0.149	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	73.3	-179.8	0	0	0	0	0	109	V211 A212 G214 M250 C253 L270	V211-A272 HydrophobicContact CG2-CB 4.21Å; A212-A272 PolarHBondContact O-N 3.36Å; G214-A272 PolarHBondContact N-O 3.33Å; M250-A272 HydrophobicContact CE-CB 3.71Å; M250-A272 WeakPolarHBondContact CE-O 3.31Å; M250-A272 HydrophobicContact SD-CB 4.08Å; C253-A272 HydrophobicContact CB-CB 4.49Å; L270-A272 PolarHBondContact O-N 2.68Å
273	D	97.6	Very high	94.7	Very high	14 Å²	14	58.3 Å²	58.3	8%	0.075	34%	0.335	C	S	.	.	S	Bend	trans	-131.9	11.1	-170.9	78.9	-21.2	0	0	0	114.1	V271 G275 A276 W277	V271-D273 HydrophobicContact CG1-CB 4.12Å; V271-D273 WeakPolarHBondContact CG1-OD1 3.18Å; D273-G275 PolarHBondContact O-N 3.06Å; D273-G275 VanDerWaalsContact O-N 3.14Å; D273-G275 VanDerWaalsContact OD1-CA 3.29Å; D273-G275 WeakPolarHBondContact OD1-CA 3.4Å; D273-G275 PolarHBondContact OD1-N 2.73Å; D273-A276 HydrophobicContact CB-CB 4.28Å; D273-A276 WeakPolarHBondContact O-CB 3.2Å; D273-A276 PolarHBondContact O-N 3.43Å; D273-A276 PolarHBondContact OD1-N 3.22Å; D273-A276 PolarHBondContact OD2-N 3.48Å; D273-W277 WeakPolarHBondContact OD2-CB 3.23Å; D273-W277 PolarHBondContact OD2-N 3.33Å
274	G	97.1	Very high	93.4	Very high	30 Å²	30	57.8 Å²	57.8	31%	0.309	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	15.7	-177	0	0	0	0	0	113.9	V239 P240 V241	V239-G274 WeakPolarHBondContact CG1-O 2.82Å; P240-G274 WeakPolarHBondContact CB-O 3.43Å; P240-G274 WeakPolarHBondContact CD-O 3.4Å; V241-G274 PolarHBondContact N-O 3.01Å
275	G	97.3	Very high	91.9	Very high	15 Å²	15	51.6 Å²	51.6	16%	0.155	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	10.3	-173.3	0	0	0	0	0	113.9	P240 D273 W277 L278	P240-G275 VanDerWaalsContact CD-C 3.41Å; P240-G275 WeakPolarHBondContact CD-O 3.29Å; D273-G275 PolarHBondContact O-N 3.06Å; D273-G275 VanDerWaalsContact O-N 3.14Å; D273-G275 VanDerWaalsContact OD1-CA 3.29Å; D273-G275 WeakPolarHBondContact OD1-CA 3.4Å; D273-G275 PolarHBondContact OD1-N 2.73Å; G275-W277 VanDerWaalsContact C-N 3.29Å; G275-W277 PolarHBondContact O-N 3.33Å; G275-L278 WeakPolarHBondContact O-CB 3.5Å; G275-L278 PolarHBondContact O-N 3.46Å; G275-L278 VanDerWaalsContact O-N 3.08Å
276	A	95.6	Very high	90.2	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-55	-41.4	-173.7	0	0	0	0	0	113	V239 D273 L278 T279 S280	V239-A276 HydrophobicContact CG1-CB 4.02Å; V239-A276 HydrophobicContact CG2-CB 3.91Å; D273-A276 HydrophobicContact CB-CB 4.28Å; D273-A276 WeakPolarHBondContact O-CB 3.2Å; D273-A276 PolarHBondContact O-N 3.43Å; D273-A276 PolarHBondContact OD1-N 3.22Å; D273-A276 PolarHBondContact OD2-N 3.48Å; A276-L278 PolarHBondContact O-N 3.26Å; A276-T279 PolarHBondContact O-N 3.45Å; A276-S280 WeakPolarHBondContact O-CB 3.26Å; A276-S280 PolarHBondContact O-N 3.4Å; A276-S280 PolarHBondContact O-OG 3.06Å
277	W	95.9	Very high	88.7	Confident	82 Å²	82	50.8 Å²	50.8	31%	0.311	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-25.8	-177.5	82.8	-88.4	0	0	0	112.9	T171 Y174 R175 D273 G275	T171-W277 HydrophobicContact CG2-CB 4.11Å; T171-W277 HydrophobicContact CG2-CG 4.16Å; Y174-W277 AromaticContact CD2-CD2 3.84Å; Y174-W277 HydrophobicContact CD2-CD2 3.84Å; Y174-W277 AromaticContact CD2-CE2 3.97Å; Y174-W277 AromaticContact CD2-CE3 3.88Å; Y174-W277 HydrophobicContact CD2-CE3 3.88Å; Y174-W277 HydrophobicContact CD2-CG 4.42Å; Y174-W277 HydrophobicContact CD2-CH2 4.16Å; Y174-W277 HydrophobicContact CD2-CZ2 4.12Å; Y174-W277 HydrophobicContact CD2-CZ3 4.05Å; Y174-W277 HydrophobicContact CG-CE3 4.35Å; Y174-W277 HydrophobicContact CG-CZ3 4.49Å; R175-W277 WeakPolarHBondContact CD-O 3.29Å; R175-W277 HydrophobicContact CG-CE3 4.21Å; R175-W277 HydrophobicContact CG-CZ3 4.33Å; R175-W277 PolarHBondContact NH1-O 3.13Å; D273-W277 WeakPolarHBondContact OD2-CB 3.23Å; D273-W277 PolarHBondContact OD2-N 3.33Å; G275-W277 VanDerWaalsContact C-N 3.29Å; G275-W277 PolarHBondContact O-N 3.33Å
278	L	96.3	Very high	86.9	Confident	106 Å²	106	53.4 Å²	53.4	56%	0.555	33%	0.325	S	S	*	.	H	α-helix	trans	-73.6	-36.4	-179	-62.7	170.8	0	0	0	112.1	G275 A276	G275-L278 WeakPolarHBondContact O-CB 3.5Å; G275-L278 PolarHBondContact O-N 3.46Å; G275-L278 VanDerWaalsContact O-N 3.08Å; A276-L278 PolarHBondContact O-N 3.26Å
279	T	93.2	Very high	85	Confident	71 Å²	71	53.9 Å²	53.9	44%	0.436	33%	0.333	S	S	.	.	H	α-helix	trans	-119.1	-19.7	-168.4	58.9	0	0	0	0	114.3	G238 P240 A276	G238-T279 VanDerWaalsContact O-CB 3.32Å; G238-T279 WeakPolarHBondContact O-CB 3.18Å; G238-T279 PolarHBondContact O-OG1 3.11Å; P240-T279 WeakPolarHBondContact CD-OG1 3.32Å; P240-T279 HydrophobicContact CG-CG2 3.84Å; A276-T279 PolarHBondContact O-N 3.45Å
280	S	85.9	Confident	82.9	Confident	30 Å²	30	56.3 Å²	56.3	21%	0.21	35%	0.346	C	S	.	.	S	Bend	trans	-59.3	135.5	-176.4	-64.9	0	0	0	0	110.5	R175 A276 N282	R175-S280 VanDerWaalsContact CZ-O 3.31Å; R175-S280 PolarHBondContact NH1-O 2.65Å; R175-S280 PolarHBondContact NH2-O 3.39Å; A276-S280 WeakPolarHBondContact O-CB 3.26Å; A276-S280 PolarHBondContact O-N 3.4Å; A276-S280 PolarHBondContact O-OG 3.06Å; S280-N282 PolarHBondContact O-N 2.72Å
281	P	80.8	Confident	80.8	Confident	97 Å²	97	54.7 Å²	54.7	63%	0.63	34%	0.341	S	S	*	.			trans	-64.8	136	179.8	24.9	-32.1	0	0	0	110.4
282	N	84.3	Confident	78.4	Confident	40 Å²	40	55.6 Å²	55.6	21%	0.214	35%	0.353	C	S	.	.			trans	-110.7	45.1	168.8	-163.5	23.8	0	0	0	109.5	R175 G176 Q177 A178 S280 V284	R175-N282 PolarHBondContact O-ND2 3.48Å; G176-N282 PolarHBondContact O-ND2 3.23Å; Q177-N282 PolarHBondContact NE2-OD1 2.95Å; A178-N282 WeakPolarHBondContact CB-OD1 3.45Å; A178-N282 PolarHBondContact N-OD1 3.32Å; S280-N282 PolarHBondContact O-N 2.72Å; N282-V284 PolarHBondContact O-N 3.11Å; N282-V284 VanDerWaalsContact O-N 3.16Å
283	D	78.1	Confident	76	Confident	87 Å²	87	57.9 Å²	57.9	47%	0.465	37%	0.368	S	S	.	.			trans	-75.8	101.2	-178.5	-176.8	-14.5	0	0	0	110.2	S285 A286 L287	D283-S285 VanDerWaalsContact C-N 3.26Å; D283-S285 PolarHBondContact O-N 2.93Å; D283-S285 WeakPolarHBondContact OD1-CB 3.5Å; D283-S285 PolarHBondContact OD1-N 3.18Å; D283-A286 HydrophobicContact CB-CB 4.13Å; D283-A286 PolarHBondContact O-N 3.03Å; D283-A286 PolarHBondContact OD1-N 3.23Å; D283-L287 WeakPolarHBondContact O-CB 3.26Å; D283-L287 WeakPolarHBondContact O-CD1 3.47Å; D283-L287 WeakPolarHBondContact O-CG 3.33Å; D283-L287 PolarHBondContact O-N 3.13Å
284	V	70.3	Confident	73.7	Confident	78 Å²	78	62.8 Å²	62.8	47%	0.473	39%	0.389	S	S	.	.	H	α-helix	trans	-59.5	-37	-179.1	-179.4	0	0	0	0	111.7	A178 N282 L287 L288	A178-V284 HydrophobicContact CB-CG2 4.09Å; N282-V284 PolarHBondContact O-N 3.11Å; N282-V284 VanDerWaalsContact O-N 3.16Å; V284-L287 PolarHBondContact O-N 3.1Å; V284-L288 HydrophobicContact CG1-CD1 3.54Å; V284-L288 HydrophobicContact CG1-CG 4.06Å; V284-L288 VanDerWaalsContact O-CB 3.26Å; V284-L288 WeakPolarHBondContact O-CB 3.2Å; V284-L288 WeakPolarHBondContact O-CG 3.41Å; V284-L288 PolarHBondContact O-N 3.3Å
285	S	66.8	Low	71.2	Confident	96 Å²	96	69.8 Å²	69.8	67%	0.671	41%	0.406	S	S	*	.	H	α-helix	trans	-69	-47.4	-176.1	-170.5	0	0	0	0	111.1	D283 G289	D283-S285 VanDerWaalsContact C-N 3.26Å; D283-S285 PolarHBondContact O-N 2.93Å; D283-S285 WeakPolarHBondContact OD1-CB 3.5Å; D283-S285 PolarHBondContact OD1-N 3.18Å; S285-G289 PolarHBondContact O-N 3.11Å
286	A	64.7	Low	68.1	Low	50 Å²	50	73.1 Å²	73.1	41%	0.413	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-43.8	175	0	0	0	0	0	111.7	D283 G289 I290	D283-A286 HydrophobicContact CB-CB 4.13Å; D283-A286 PolarHBondContact O-N 3.03Å; D283-A286 PolarHBondContact OD1-N 3.23Å; A286-G289 PolarHBondContact O-N 3.46Å; A286-I290 WeakPolarHBondContact O-CG1 3.35Å; A286-I290 PolarHBondContact O-N 2.92Å; A286-I290 VanDerWaalsContact O-N 3.1Å
287	L	66.3	Low	65.1	Low	44 Å²	44	81.9 Å²	81.9	23%	0.23	47%	0.47	C	S	.	.	H	α-helix	trans	-67.7	-39.4	-178.3	-71.7	169.8	0	0	0	112.6	A178 L179 D283 V284 A291	A178-L287 HydrophobicContact CB-CD1 3.86Å; L179-L287 HydrophobicContact CD1-CB 4.05Å; L179-L287 HydrophobicContact CG-CB 4.44Å; D283-L287 WeakPolarHBondContact O-CB 3.26Å; D283-L287 WeakPolarHBondContact O-CD1 3.47Å; D283-L287 WeakPolarHBondContact O-CG 3.33Å; D283-L287 PolarHBondContact O-N 3.13Å; V284-L287 PolarHBondContact O-N 3.1Å; L287-A291 PolarHBondContact O-N 2.75Å; L287-A291 VanDerWaalsContact O-N 3.13Å
288	L	61.7	Low	62	Low	75 Å²	75	88.4 Å²	88.4	39%	0.393	51%	0.509	S	S	.	.	H	α-helix	trans	-69.3	-37.1	174.7	-72.5	174	0	0	0	112.1	P126 L179 V284 I290 A291 A292	P126-L288 HydrophobicContact CB-CD2 3.93Å; P126-L288 HydrophobicContact CG-CD2 3.73Å; L179-L288 HydrophobicContact CD2-CD2 3.75Å; V284-L288 HydrophobicContact CG1-CD1 3.54Å; V284-L288 HydrophobicContact CG1-CG 4.06Å; V284-L288 VanDerWaalsContact O-CB 3.26Å; V284-L288 WeakPolarHBondContact O-CB 3.2Å; V284-L288 WeakPolarHBondContact O-CG 3.41Å; V284-L288 PolarHBondContact O-N 3.3Å; L288-I290 VanDerWaalsContact C-N 3.35Å; L288-I290 PolarHBondContact O-N 3.26Å; L288-A291 PolarHBondContact O-N 3.48Å; L288-A292 WeakPolarHBondContact O-CB 3.38Å; L288-A292 PolarHBondContact O-N 3.1Å
289	G	58.4	Low	60.2	Low	44 Å²	44	87.6 Å²	87.6	45%	0.454	51%	0.507	S	S	.	.	H	α-helix	trans	-59.9	-42.8	173.9	0	0	0	0	0	112.7	S285 A286 A292 S293	S285-G289 PolarHBondContact O-N 3.11Å; A286-G289 PolarHBondContact O-N 3.46Å; G289-A292 PolarHBondContact O-N 3.36Å; G289-S293 PolarHBondContact O-N 3.02Å; G289-S293 VanDerWaalsContact O-N 3.11Å
290	I	55.8	Low	58.5	Low	95 Å²	95	88.4 Å²	88.4	49%	0.487	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-44.5	174.6	-66.7	165.7	0	0	0	110.9	A286 L288 A292 S293 K294	A286-I290 WeakPolarHBondContact O-CG1 3.35Å; A286-I290 PolarHBondContact O-N 2.92Å; A286-I290 VanDerWaalsContact O-N 3.1Å; L288-I290 VanDerWaalsContact C-N 3.35Å; L288-I290 PolarHBondContact O-N 3.26Å; I290-A292 PolarHBondContact O-N 3.33Å; I290-S293 PolarHBondContact O-N 3.39Å; I290-S293 PolarHBondContact O-OG 3.13Å; I290-K294 PolarHBondContact O-N 3.25Å
291	A	52.9	Low	57	Low	27 Å²	27	91.7 Å²	91.7	22%	0.223	53%	0.528	C	S	.	.	H	α-helix	trans	-63.9	-39.7	179.1	0	0	0	0	0	112.9	L179 L287 L288 K294 R295	L179-A291 HydrophobicContact CD1-CB 4.41Å; L287-A291 PolarHBondContact O-N 2.75Å; L287-A291 VanDerWaalsContact O-N 3.13Å; L288-A291 PolarHBondContact O-N 3.48Å; A291-K294 PolarHBondContact O-N 3.26Å; A291-R295 PolarHBondContact O-N 3.42Å
292	A	50.3	Low	55.6	Low	64 Å²	64	91.4 Å²	91.4	53%	0.529	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-40.8	175.6	0	0	0	0	0	112	L288 G289 I290 K294 R295 A296	L288-A292 WeakPolarHBondContact O-CB 3.38Å; L288-A292 PolarHBondContact O-N 3.1Å; G289-A292 PolarHBondContact O-N 3.36Å; I290-A292 PolarHBondContact O-N 3.33Å; A292-K294 VanDerWaalsContact C-N 3.32Å; A292-K294 PolarHBondContact O-N 3.32Å; A292-R295 PolarHBondContact O-N 3.47Å; A292-A296 PolarHBondContact O-N 3.3Å
293	S	47.7	Very low	53.8	Low	66 Å²	66	94.6 Å²	94.6	46%	0.462	54%	0.541	S	S	.	.	H	α-helix	trans	-65.6	-30.9	178.6	77.8	0	0	0	0	113.8	G289 I290	G289-S293 PolarHBondContact O-N 3.02Å; G289-S293 VanDerWaalsContact O-N 3.11Å; I290-S293 PolarHBondContact O-N 3.39Å; I290-S293 PolarHBondContact O-OG 3.13Å
294	K	48.7	Very low	52.2	Low	118 Å²	118	95.1 Å²	95.1	51%	0.513	55%	0.546	S	S	.	.	H	α-helix	trans	-75.3	-30.5	175.4	-77.1	-174.5	177.6	-179.9	0	112.9	I290 A291 A292 A296 K297	I290-K294 PolarHBondContact O-N 3.25Å; A291-K294 PolarHBondContact O-N 3.26Å; A292-K294 VanDerWaalsContact C-N 3.32Å; A292-K294 PolarHBondContact O-N 3.32Å; K294-A296 VanDerWaalsContact C-N 3.32Å; K294-K297 PolarHBondContact O-N 3.49Å
295	R	43.6	Very low	50.9	Low	176 Å²	176	96.3 Å²	96.3	66%	0.664	55%	0.551	S	S	*	*	H	α-helix	trans	-70.2	-26.7	172.1	-86.1	-171	-175.7	-157.6	0.4	113.3	A291 A292 K297	A291-R295 PolarHBondContact O-N 3.42Å; A292-R295 PolarHBondContact O-N 3.47Å; R295-K297 PolarHBondContact O-N 3.38Å
296	A	34	Very low	49.7	Very low	86 Å²	86	96.3 Å²	96.3	71%	0.711	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-3.8	177.8	0	0	0	0	0	114.1	A292 K294	A292-A296 PolarHBondContact O-N 3.3Å; K294-A296 VanDerWaalsContact C-N 3.32Å
297	K	31.7	Very low	48.4	Very low	188 Å²	188	100.2 Å²	100.2	82%	0.817	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	18.8	-178.9	-71.6	-170.7	175.7	-175.6	0	113.8	K294 R295	K294-K297 PolarHBondContact O-N 3.49Å; R295-K297 PolarHBondContact O-N 3.38Å
298	L	29.8	Very low	46.8	Very low	219 Å²	219	105.3 Å²	105.3	100%	1.147	58%	0.582	S	S	*	*			trans	-113	0	170	-79.1	166.8	0	0	0	109.9

Retrieved 298 of 298 residues in 233.2 ms (Link to these results)

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