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Aldehyde dehydrogenase B

Catalyzes the NADP(+)-dependent oxidation of diverse aldehydes to their corresponding carboxylic acids, with a preference for acetaldehyde and chloroacetaldehyde¹. May play a role in detoxifying aldehydes present during stationary phase (Probable). Cannot use NAD(+) instead of NADP(+) as the electron acceptor. To a lesser extent is also able to oxidize propionaldehyde (propanal), benzaldehyde, mafosfamide, and 4-hydroperoxycyclophosphamide. Does not use either glyceraldehyde or glycolaldehyde as substrates².

AlphaFold DB , UniProt , Accession P37685, Species ECOLI (Escherichia coli (strain K12)), Gene aldB, Length 512 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.9	Very low	63	Low	203 Å²	203	91.9 Å²	91.9	100%	1	52%	0.522	S	S	*	.				0	108	0	-70.2	-169.5	-152.4	0	0	110.3	E102	M1-E102 PolarHBondContact N-OE1 3.15Å
2	T	51.1	Low	64.3	Low	67 Å²	67	86.5 Å²	86.5	41%	0.411	49%	0.493	S	S	.	.			trans	-89.1	127.7	179.4	50.2	0	0	0	0	110.9	N4 G16	T2-N4 PolarHBondContact O-N 2.76Å; T2-G16 VanDerWaalsContact OG1-C 3.24Å; T2-G16 PolarHBondContact OG1-O 3Å; T2-G16 VanDerWaalsContact OG1-O 3.11Å
3	N	53.6	Low	65.2	Low	167 Å²	167	82.2 Å²	82.2	89%	0.893	48%	0.48	S	S	*	.			trans	-79.3	91.1	165.4	-81.1	-17.1	0	0	0	107.4
4	N	57.2	Low	66.2	Low	44 Å²	44	84.9 Å²	84.9	24%	0.235	49%	0.486	C	S	.	.			trans	-59.4	132	172.4	-69.2	-43.5	0	0	0	109	T2 A8 Y15 G16	T2-N4 PolarHBondContact O-N 2.76Å; N4-A8 HydrophobicContact CB-CB 4.16Å; N4-Y15 HydrophobicContact CB-CD2 4.24Å; N4-Y15 HydrophobicContact CB-CE2 3.93Å; N4-Y15 WeakPolarHBondContact ND2-CE1 3.47Å; N4-Y15 WeakPolarHBondContact ND2-CE2 3.21Å; N4-G16 PolarHBondContact ND2-N 2.94Å; N4-G16 PolarHBondContact OD1-N 3.44Å
5	P	56.1	Low	67.2	Low	75 Å²	75	81.8 Å²	81.8	49%	0.487	46%	0.463	S	S	.	.			trans	-60.9	150.7	174	22.8	-29.8	0	0	0	109.8	S7 A8	P5-S7 PolarHBondContact O-N 2.74Å; P5-A8 HydrophobicContact CG-CB 4.1Å; P5-A8 WeakPolarHBondContact O-CB 3.36Å; P5-A8 PolarHBondContact O-N 3.1Å
6	P	55.1	Low	67.8	Low	150 Å²	150	77.4 Å²	77.4	97%	0.974	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.7	179.5	-24.5	32.6	0	0	0	114.4
7	S	56.3	Low	68.8	Low	102 Å²	102	76.2 Å²	76.2	71%	0.713	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.9	179.2	62.2	0	0	0	0	114.7	P5 Q9	P5-S7 PolarHBondContact O-N 2.74Å; S7-Q9 PolarHBondContact O-N 3.1Å
8	A	63.9	Low	69.2	Low	25 Å²	25	76.5 Å²	76.5	21%	0.207	44%	0.436	C	S	.	.			trans	-66.7	123.6	-179.9	0	0	0	0	0	110	N4 P5 Y15	N4-A8 HydrophobicContact CB-CB 4.16Å; P5-A8 HydrophobicContact CG-CB 4.1Å; P5-A8 WeakPolarHBondContact O-CB 3.36Å; P5-A8 PolarHBondContact O-N 3.1Å; A8-Y15 HydrophobicContact CB-CD2 3.98Å
9	Q	79.4	Confident	70	Confident	87 Å²	87	73 Å²	73	41%	0.407	42%	0.416	S	S	.	.			trans	-72.2	132.7	172.7	-69.2	-177.9	-2.9	0	0	108.7	S7 K11 Y15 E384	S7-Q9 PolarHBondContact O-N 3.1Å; Q9-K11 HydrophobicContact CB-CD 3.95Å; Q9-K11 HydrophobicContact CB-CG 4.06Å; Q9-K11 PolarHBondContact O-N 3.42Å; Q9-Y15 WeakPolarHBondContact O-CB 3.42Å; Q9-E384 WeakPolarHBondContact CA-OE2 3.42Å; Q9-E384 VanDerWaalsContact CB-OE1 3.27Å; Q9-E384 WeakPolarHBondContact CB-OE1 3.18Å; Q9-E384 WeakPolarHBondContact CG-OE1 3.38Å
10	I	85.2	Confident	70.7	Confident	27 Å²	27	79.2 Å²	79.2	14%	0.138	44%	0.438	C	S	.	.	S	Bend	trans	-69.7	76.2	175	-53.8	172.4	0	0	0	108	Y15 T49 W110 E384 L385	I10-Y15 HydrophobicContact CG1-CD2 3.97Å; I10-Y15 HydrophobicContact CG1-CE2 4.02Å; I10-Y15 HydrophobicContact CG1-CG 4.38Å; I10-T49 HydrophobicContact CG2-CG2 4.18Å; I10-W110 HydrophobicContact CG2-CH2 3.86Å; I10-W110 HydrophobicContact CG2-CZ3 4.46Å; I10-E384 HydrophobicContact CB-CB 4.19Å; I10-E384 WeakPolarHBondContact CB-OE2 3.38Å; I10-E384 WeakPolarHBondContact CG1-OE2 3.49Å; I10-E384 PolarHBondContact N-OE2 3.01Å; I10-L385 HydrophobicContact CD1-CD2 4.05Å; I10-L385 HydrophobicContact CD1-CG 4.18Å; I10-L385 HydrophobicContact CG2-CD2 3.98Å
11	K	84.7	Confident	71.5	Confident	64 Å²	64	77.4 Å²	77.4	28%	0.278	43%	0.427	S	S	.	.			trans	-130.2	144.1	180	-70.6	179.1	175	178.1	0	110.5	Q9 G13 E14 Y15 W110	Q9-K11 HydrophobicContact CB-CD 3.95Å; Q9-K11 HydrophobicContact CB-CG 4.06Å; Q9-K11 PolarHBondContact O-N 3.42Å; K11-G13 PolarHBondContact O-N 2.9Å; K11-E14 HydrophobicContact CB-CB 4.24Å; K11-E14 HydrophobicContact CB-CG 4.46Å; K11-E14 PolarHBondContact O-N 3.21Å; K11-Y15 PolarHBondContact O-N 3.4Å; K11-Y15 VanDerWaalsContact O-N 3.09Å; K11-W110 VanDerWaalsContact C-CH2 3.48Å; K11-W110 VanDerWaalsContact C-CZ2 3.48Å; K11-W110 WeakPolarHBondContact O-CZ2 3.35Å
12	P	78.7	Confident	73.6	Confident	27 Å²	27	72 Å²	72	18%	0.175	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	130.7	172.8	-25.8	34.6	0	0	0	111.8	E14 L21 T46 L53 W110	P12-E14 VanDerWaalsContact C-N 3.27Å; P12-E14 PolarHBondContact O-N 2.65Å; P12-L21 HydrophobicContact CB-CD1 3.74Å; P12-T46 HydrophobicContact CG-CG2 4.17Å; P12-L53 HydrophobicContact CB-CD2 3.57Å; P12-L53 HydrophobicContact CG-CD2 3.4Å; P12-L53 VanDerWaalsContact CG-CD2 3.4Å; P12-L53 HydrophobicContact CG-CG 4.44Å; P12-W110 HydrophobicContact CG-CD2 4.32Å; P12-W110 HydrophobicContact CG-CE3 4.03Å; P12-W110 HydrophobicContact CG-CH2 4.4Å; P12-W110 HydrophobicContact CG-CZ3 4.09Å
13	G	76.6	Confident	75.7	Confident	31 Å²	31	73 Å²	73	32%	0.32	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-17.4	-178.3	0	0	0	0	0	115.6	K11 L19	K11-G13 PolarHBondContact O-N 2.9Å; G13-L19 WeakPolarHBondContact CA-O 3.46Å
14	E	79.3	Confident	77.8	Confident	120 Å²	120	70.2 Å²	70.2	56%	0.561	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-31.2	-179.7	-64	-177.6	-159.6	0	0	113.3	K11 P12	K11-E14 HydrophobicContact CB-CB 4.24Å; K11-E14 HydrophobicContact CB-CG 4.46Å; K11-E14 PolarHBondContact O-N 3.21Å; P12-E14 VanDerWaalsContact C-N 3.27Å; P12-E14 PolarHBondContact O-N 2.65Å
15	Y	81.2	Confident	79.7	Confident	38 Å²	38	68.2 Å²	68.2	15%	0.149	38%	0.379	C	S	.	.	S	Bend	trans	-110.8	133.3	-178.6	-168.8	-84.7	0	0	0	112.6	N4 A8 Q9 I10 K11 N338 L340	N4-Y15 HydrophobicContact CB-CD2 4.24Å; N4-Y15 HydrophobicContact CB-CE2 3.93Å; N4-Y15 WeakPolarHBondContact ND2-CE1 3.47Å; N4-Y15 WeakPolarHBondContact ND2-CE2 3.21Å; A8-Y15 HydrophobicContact CB-CD2 3.98Å; Q9-Y15 WeakPolarHBondContact O-CB 3.42Å; I10-Y15 HydrophobicContact CG1-CD2 3.97Å; I10-Y15 HydrophobicContact CG1-CE2 4.02Å; I10-Y15 HydrophobicContact CG1-CG 4.38Å; K11-Y15 PolarHBondContact O-N 3.4Å; K11-Y15 VanDerWaalsContact O-N 3.09Å; Y15-N338 WeakPolarHBondContact CE1-ND2 3.12Å; Y15-N338 VanDerWaalsContact CZ-ND2 3.31Å; Y15-N338 PolarHBondContact OH-ND2 3.23Å; Y15-L340 HydrophobicContact CD1-CB 3.89Å; Y15-L340 HydrophobicContact CD1-CD1 3.77Å; Y15-L340 HydrophobicContact CD1-CG 4.48Å; Y15-L340 HydrophobicContact CE1-CB 3.71Å; Y15-L340 HydrophobicContact CE1-CD1 4.4Å
16	G	77.2	Confident	81.8	Confident	12 Å²	12	66.6 Å²	66.6	12%	0.124	37%	0.367	C	S	.	.	S	Bend	trans	91.3	-143.8	178.5	0	0	0	0	0	112.1	T2 N4	T2-G16 VanDerWaalsContact OG1-C 3.24Å; T2-G16 PolarHBondContact OG1-O 3Å; T2-G16 VanDerWaalsContact OG1-O 3.11Å; N4-G16 PolarHBondContact ND2-N 2.94Å; N4-G16 PolarHBondContact OD1-N 3.44Å
17	F	83.5	Confident	83.8	Confident	57 Å²	57	59.4 Å²	59.4	25%	0.25	32%	0.32	C	S	.	.	S	Bend	trans	-70.9	135.5	171.4	-172.2	-89.2	0	0	0	109.2	L19 E102 L103 T106	F17-L19 PolarHBondContact O-N 3.12Å; F17-E102 HydrophobicContact CD2-CB 3.55Å; F17-E102 HydrophobicContact CD2-CG 4.44Å; F17-E102 WeakPolarHBondContact CD2-OE2 3.47Å; F17-E102 HydrophobicContact CE2-CB 3.7Å; F17-E102 VanDerWaalsContact CE2-OE2 3.25Å; F17-E102 WeakPolarHBondContact CE2-OE2 3.41Å; F17-E102 HydrophobicContact CG-CB 4.09Å; F17-E102 HydrophobicContact CZ-CB 4.35Å; F17-L103 HydrophobicContact CD1-CB 4.24Å; F17-L103 HydrophobicContact CD1-CD1 4.29Å; F17-L103 HydrophobicContact CE1-CB 3.73Å; F17-L103 HydrophobicContact CE1-CD1 4.03Å; F17-L103 HydrophobicContact CE1-CG 4.48Å; F17-L103 HydrophobicContact CZ-CB 4.43Å; F17-T106 HydrophobicContact CB-CG2 4.05Å; F17-T106 VanDerWaalsContact CB-OG1 3.26Å; F17-T106 WeakPolarHBondContact CB-OG1 3.46Å
18	P	76.6	Confident	85.9	Confident	81 Å²	81	55 Å²	55	53%	0.526	29%	0.288	S	S	.	.			trans	-63.1	110.6	-176.3	24.7	-33.8	0	0	0	111.2
19	L	83.7	Confident	87.5	Confident	10 Å²	10	54.5 Å²	54.5	5%	0.052	28%	0.282	C	S	.	.			trans	-88.9	113.4	169.9	-61.3	-172.3	0	0	0	109.3	G13 F17 L21 L103 T106 A107 W110	G13-L19 WeakPolarHBondContact CA-O 3.46Å; F17-L19 PolarHBondContact O-N 3.12Å; L19-L21 HydrophobicContact CB-CD1 4.4Å; L19-L21 HydrophobicContact CB-CD2 3.98Å; L19-L21 HydrophobicContact CB-CG 3.77Å; L19-L21 HydrophobicContact CD1-CD1 4.4Å; L19-L21 HydrophobicContact CD1-CD2 4.14Å; L19-L21 HydrophobicContact CD1-CG 4.39Å; L19-L21 PolarHBondContact O-N 3.43Å; L19-L103 HydrophobicContact CD2-CD1 3.57Å; L19-T106 HydrophobicContact CD1-CG2 4.11Å; L19-T106 HydrophobicContact CD2-CG2 3.87Å; L19-T106 HydrophobicContact CG-CG2 3.9Å; L19-A107 HydrophobicContact CD2-CB 4.41Å; L19-W110 HydrophobicContact CD1-CB 4.45Å; L19-W110 HydrophobicContact CD1-CG 4.11Å
20	K	84.4	Confident	88.5	Confident	196 Å²	196	51.4 Å²	51.4	85%	0.852	27%	0.274	S	S	*	.			trans	-79.7	65.8	169.2	-68.1	-177.4	180	177.5	0	109.9	K22	K20-K22 PolarHBondContact O-N 3.28Å
21	L	87.8	Confident	89.1	Confident	42 Å²	42	51.3 Å²	51.3	22%	0.22	28%	0.279	C	S	.	.			trans	-65.7	129.1	-178.2	-63.3	179.2	0	0	0	110.7	P12 L19 L53 L201	P12-L21 HydrophobicContact CB-CD1 3.74Å; L19-L21 HydrophobicContact CB-CD1 4.4Å; L19-L21 HydrophobicContact CB-CD2 3.98Å; L19-L21 HydrophobicContact CB-CG 3.77Å; L19-L21 HydrophobicContact CD1-CD1 4.4Å; L19-L21 HydrophobicContact CD1-CD2 4.14Å; L19-L21 HydrophobicContact CD1-CG 4.39Å; L19-L21 PolarHBondContact O-N 3.43Å; L21-L53 HydrophobicContact CD1-CD2 4.22Å; L21-L201 HydrophobicContact CD2-CD1 4Å; L21-L201 HydrophobicContact CD2-CD2 3.88Å; L21-L201 HydrophobicContact CD2-CG 4.5Å
22	K	93.6	Very high	89.8	Confident	90 Å²	90	54.5 Å²	54.5	39%	0.391	30%	0.295	S	S	.	.			trans	-69.6	144.8	162.9	-62.6	173.9	178.4	167.4	0	108.5	K20 R24 Y25 C54 E208	K20-K22 PolarHBondContact O-N 3.28Å; K22-R24 VanDerWaalsContact CB-O 3.26Å; K22-R24 WeakPolarHBondContact CB-O 3.25Å; K22-R24 PolarHBondContact O-N 2.95Å; K22-R24 VanDerWaalsContact O-N 3.14Å; K22-Y25 HydrophobicContact CB-CD2 4.4Å; K22-Y25 HydrophobicContact CB-CE1 4.21Å; K22-Y25 HydrophobicContact CB-CE2 3.97Å; K22-Y25 HydrophobicContact CD-CD1 4.18Å; K22-Y25 HydrophobicContact CD-CE1 3.91Å; K22-Y25 HydrophobicContact CG-CE1 4.23Å; K22-Y25 PolarHBondContact N-OH 3.47Å; K22-Y25 WeakPolarHBondContact O-CE2 3.4Å; K22-C54 WeakPolarHBondContact O-CB 3.27Å; K22-E208 WeakPolarHBondContact CE-OE1 3.16Å; K22-E208 IonicContact NZ-OE1 3.68Å; K22-E208 PolarHBondContact NZ-OE1 3.18Å
23	A	94.9	Very high	90.7	Very high	88 Å²	88	56.9 Å²	56.9	73%	0.727	30%	0.3	S	S	*	.	S	Bend	trans	-58.1	-26.9	171.5	0	0	0	0	0	111.8	E55	A23-E55 PolarHBondContact O-N 2.89Å
24	R	97.7	Very high	91.8	Very high	108 Å²	108	57.5 Å²	57.5	41%	0.408	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	141.7	-175.6	173.6	177.9	-70.7	-168.4	4.9	111.4	K22 Y41 E55	K22-R24 VanDerWaalsContact CB-O 3.26Å; K22-R24 WeakPolarHBondContact CB-O 3.25Å; K22-R24 PolarHBondContact O-N 2.95Å; K22-R24 VanDerWaalsContact O-N 3.14Å; R24-Y41 HydrophobicContact CG-CD1 3.59Å; R24-Y41 HydrophobicContact CG-CE1 3.26Å; R24-Y41 VanDerWaalsContact NH1-CE2 3.29Å; R24-E55 CarbonylContact C-O 3.6Å; R24-E55 VanDerWaalsContact CA-O 3.26Å; R24-E55 WeakPolarHBondContact CA-O 3.18Å; R24-E55 HydrophobicContact CB-CB 4.32Å; R24-E55 HydrophobicContact CG-CB 4.44Å; R24-E55 IonicContact CZ-OE2 2.76Å; R24-E55 IonicContact NE-OE2 3.7Å; R24-E55 PolarHBondContact NE-OE2 3.42Å; R24-E55 VanDerWaalsContact NE-OE2 3.15Å; R24-E55 IonicContact NH2-OE2 2.94Å; R24-E55 PolarHBondContact NH2-OE2 2.7Å
25	Y	98.6	Very high	92.7	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.9	170.7	-66.8	-94.6	0	0	0	111.3	K22 C54 E55 V56 A57 L201 L204 L205 E208	K22-Y25 HydrophobicContact CB-CD2 4.4Å; K22-Y25 HydrophobicContact CB-CE1 4.21Å; K22-Y25 HydrophobicContact CB-CE2 3.97Å; K22-Y25 HydrophobicContact CD-CD1 4.18Å; K22-Y25 HydrophobicContact CD-CE1 3.91Å; K22-Y25 HydrophobicContact CG-CE1 4.23Å; K22-Y25 PolarHBondContact N-OH 3.47Å; K22-Y25 WeakPolarHBondContact O-CE2 3.4Å; Y25-C54 HydrophobicContact CD2-CB 3.95Å; Y25-C54 HydrophobicContact CE2-CB 3.92Å; Y25-E55 PolarHBondContact N-O 3.05Å; Y25-V56 WeakPolarHBondContact O-CA 3.32Å; Y25-A57 PolarHBondContact O-N 3.09Å; Y25-L201 HydrophobicContact CD2-CD1 4.37Å; Y25-L201 HydrophobicContact CE2-CD1 3.71Å; Y25-L204 HydrophobicContact CD1-CB 4.12Å; Y25-L204 HydrophobicContact CD1-CD1 4.41Å; Y25-L204 HydrophobicContact CG-CD1 4.02Å; Y25-L205 HydrophobicContact CE1-CD2 4.13Å; Y25-E208 WeakPolarHBondContact CE1-OE1 3.33Å
26	D	98.8	Very high	93.5	Very high	41 Å²	41	52.5 Å²	52.5	22%	0.219	29%	0.285	C	S	.	.			trans	-85.1	179.7	176.4	-69.2	2.8	0	0	0	110.6	W33 A35 Y41	D26-W33 HydrophobicContact CB-CB 4.31Å; D26-W33 HydrophobicContact CB-CE3 4.37Å; D26-W33 WeakPolarHBondContact O-CZ3 3.23Å; D26-A35 PolarHBondContact OD2-N 2.99Å; D26-Y41 PolarHBondContact OD1-OH 3.22Å
27	N	98.9	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	156.3	168.8	-61.9	-51.8	0	0	0	110.6	I29 W33 V34 S59 V221 N223	N27-I29 HydrophobicContact CB-CD1 3.9Å; N27-I29 HydrophobicContact CB-CG1 4.03Å; N27-W33 CarbonylContact O-C 3.59Å; N27-W33 VanDerWaalsContact O-CA 3.3Å; N27-W33 WeakPolarHBondContact O-CA 3.5Å; N27-V34 WeakPolarHBondContact CB-O 3.33Å; N27-V34 PolarHBondContact N-O 2.86Å; N27-V34 PolarHBondContact O-N 3.37Å; N27-S59 PolarHBondContact ND2-OG 3.32Å; N27-S59 PolarHBondContact OD1-OG 3.48Å; N27-S59 VanDerWaalsContact OD1-OG 3.12Å; N27-V221 WeakPolarHBondContact CB-O 3.16Å; N27-N223 PolarHBondContact OD1-N 3.47Å
28	F	98.9	Very high	95.2	Very high	10 Å²	10	55.7 Å²	55.7	4%	0.044	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	103.4	170.5	-174	-99.7	0	0	0	108.8	E32 W33 M207 N220 V221	F28-E32 CarbonylContact C-O 3.56Å; F28-E32 WeakPolarHBondContact CA-O 3.38Å; F28-W33 HydrophobicContact CB-CE3 4.4Å; F28-W33 HydrophobicContact CB-CH2 4.37Å; F28-W33 HydrophobicContact CB-CZ3 4.15Å; F28-W33 HydrophobicContact CD2-CD2 4.28Å; F28-W33 AromaticContact CD2-CE2 4Å; F28-W33 HydrophobicContact CD2-CH2 4.47Å; F28-W33 HydrophobicContact CD2-CZ2 4.09Å; F28-M207 HydrophobicContact CB-CB 4.29Å; F28-M207 HydrophobicContact CB-CG 4.18Å; F28-M207 HydrophobicContact CD1-CB 4.24Å; F28-M207 HydrophobicContact CD1-CG 4.02Å; F28-M207 HydrophobicContact CD1-SD 3.95Å; F28-M207 HydrophobicContact CD2-CB 4.09Å; F28-M207 HydrophobicContact CE1-SD 4.17Å; F28-M207 HydrophobicContact CE2-CB 4.49Å; F28-M207 HydrophobicContact CG-CB 3.95Å; F28-M207 HydrophobicContact CG-CG 4.05Å; F28-N220 CarbonylContact O-C 3.51Å; F28-N220 WeakPolarHBondContact O-CA 3.4Å; F28-V221 HydrophobicContact CB-CB 4.16Å; F28-V221 HydrophobicContact CB-CG2 4.49Å; F28-V221 PolarHBondContact N-O 2.91Å; F28-V221 PolarHBondContact O-N 2.91Å
29	I	98.9	Very high	96.2	Very high	13 Å²	13	54.2 Å²	54.2	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.8	-173.5	-64.3	174.4	0	0	0	109.1	N27 G31 E32 V34 L66 A67 A70 V222	N27-I29 HydrophobicContact CB-CD1 3.9Å; N27-I29 HydrophobicContact CB-CG1 4.03Å; I29-G31 PolarHBondContact O-N 3.01Å; I29-E32 PolarHBondContact N-O 2.91Å; I29-E32 PolarHBondContact O-N 3.46Å; I29-E32 VanDerWaalsContact O-N 3.13Å; I29-V34 HydrophobicContact CB-CB 4.37Å; I29-V34 HydrophobicContact CB-CG2 4.04Å; I29-L66 HydrophobicContact CD1-CB 4.32Å; I29-L66 HydrophobicContact CG2-CB 4.3Å; I29-A67 HydrophobicContact CD1-CB 4.34Å; I29-A67 HydrophobicContact CG1-CB 4.22Å; I29-A67 HydrophobicContact CG2-CB 4.49Å; I29-A70 HydrophobicContact CG2-CB 4.11Å; I29-V222 HydrophobicContact CD1-CG2 4.18Å; I29-V222 HydrophobicContact CG1-CG2 4.31Å
30	G	98.6	Very high	96.9	Very high	23 Å²	23	59.4 Å²	59.4	24%	0.237	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	31.1	175.9	0	0	0	0	0	113.9	E32 P216 N220	G30-E32 VanDerWaalsContact C-N 3.3Å; G30-P216 WeakPolarHBondContact O-CB 3.44Å; G30-N220 PolarHBondContact N-OD1 2.9Å
31	G	98.4	Very high	97.6	Very high	24 Å²	24	52 Å²	52	25%	0.247	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	-0.5	-178.2	0	0	0	0	0	115	I29	I29-G31 PolarHBondContact O-N 3.01Å
32	E	98.7	Very high	98.1	Very high	131 Å²	131	50.8 Å²	50.8	61%	0.612	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.4	-174.6	-62.4	-63.2	156.6	0	0	111.7	F28 I29 G30 V34	F28-E32 CarbonylContact C-O 3.56Å; F28-E32 WeakPolarHBondContact CA-O 3.38Å; I29-E32 PolarHBondContact N-O 2.91Å; I29-E32 PolarHBondContact O-N 3.46Å; I29-E32 VanDerWaalsContact O-N 3.13Å; G30-E32 VanDerWaalsContact C-N 3.3Å; E32-V34 HydrophobicContact CB-CG2 4.32Å
33	W	98.7	Very high	98.3	Very high	77 Å²	77	52.4 Å²	52.4	29%	0.292	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	115.5	170.4	-67	98.1	0	0	0	109.7	D26 N27 F28 L204 M207 E208	D26-W33 HydrophobicContact CB-CB 4.31Å; D26-W33 HydrophobicContact CB-CE3 4.37Å; D26-W33 WeakPolarHBondContact O-CZ3 3.23Å; N27-W33 CarbonylContact O-C 3.59Å; N27-W33 VanDerWaalsContact O-CA 3.3Å; N27-W33 WeakPolarHBondContact O-CA 3.5Å; F28-W33 HydrophobicContact CB-CE3 4.4Å; F28-W33 HydrophobicContact CB-CH2 4.37Å; F28-W33 HydrophobicContact CB-CZ3 4.15Å; F28-W33 HydrophobicContact CD2-CD2 4.28Å; F28-W33 AromaticContact CD2-CE2 4Å; F28-W33 HydrophobicContact CD2-CH2 4.47Å; F28-W33 HydrophobicContact CD2-CZ2 4.09Å; W33-L204 HydrophobicContact CH2-CB 4.38Å; W33-L204 HydrophobicContact CH2-CD2 4.12Å; W33-L204 WeakPolarHBondContact CH2-O 3.49Å; W33-L204 HydrophobicContact CZ3-CD2 3.73Å; W33-M207 HydrophobicContact CH2-CB 4.08Å; W33-M207 HydrophobicContact CZ2-CB 4.13Å; W33-E208 HydrophobicContact CH2-CG 4.15Å; W33-E208 HydrophobicContact CZ2-CB 4.46Å; W33-E208 HydrophobicContact CZ2-CG 3.4Å
34	V	98.8	Very high	98.4	Very high	44 Å²	44	48.5 Å²	48.5	27%	0.267	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.9	-171.8	-176.2	0	0	0	0	110	N27 I29 E32	N27-V34 WeakPolarHBondContact CB-O 3.33Å; N27-V34 PolarHBondContact N-O 2.86Å; N27-V34 PolarHBondContact O-N 3.37Å; I29-V34 HydrophobicContact CB-CB 4.37Å; I29-V34 HydrophobicContact CB-CG2 4.04Å; E32-V34 HydrophobicContact CB-CG2 4.32Å
35	A	98.7	Very high	98.4	Very high	49 Å²	49	46.5 Å²	46.5	41%	0.405	26%	0.264	S	S	.	.			trans	-55.3	146.2	173.7	0	0	0	0	0	111.2	D26 A37	D26-A35 PolarHBondContact OD2-N 2.99Å; A35-A37 PolarHBondContact O-N 3.44Å
36	P	98.7	Very high	98.3	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.032	26%	0.264	C	S	.	.			trans	-61.3	138.2	178.7	25.3	-28.2	0	0	0	110.1	D38 G39 E40 Y41 A57 D63	P36-D38 PolarHBondContact O-N 3.4Å; P36-D38 VanDerWaalsContact O-N 3.1Å; P36-G39 WeakPolarHBondContact O-CA 3.41Å; P36-G39 PolarHBondContact O-N 2.89Å; P36-E40 WeakPolarHBondContact CG-O 3.47Å; P36-Y41 WeakPolarHBondContact CD-OH 3.39Å; P36-Y41 HydrophobicContact CG-CD2 4.26Å; P36-Y41 HydrophobicContact CG-CE1 4.27Å; P36-Y41 HydrophobicContact CG-CE2 3.74Å; P36-A57 HydrophobicContact CB-CB 4.1Å; P36-A57 HydrophobicContact CG-CB 3.84Å; P36-D63 WeakPolarHBondContact CA-OD1 3.39Å
37	A	98.4	Very high	98.3	Very high	49 Å²	49	44.5 Å²	44.5	41%	0.405	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.8	-171.3	0	0	0	0	0	113.7	A35 R62 D63	A35-A37 PolarHBondContact O-N 3.44Å; A37-R62 HydrophobicContact CB-CB 3.81Å; A37-D63 PolarHBondContact N-OD1 2.97Å
38	D	97.3	Very high	98.2	Very high	87 Å²	87	44.5 Å²	44.5	47%	0.465	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.9	179.4	-59	-35.5	0	0	0	112.6	P36 E40 R62	P36-D38 PolarHBondContact O-N 3.4Å; P36-D38 VanDerWaalsContact O-N 3.1Å; D38-E40 PolarHBondContact O-N 3.17Å; D38-R62 IonicContact OD1-NH1 3.93Å; D38-R62 PolarHBondContact OD1-NH1 3.35Å
39	G	97.6	Very high	98.1	Very high	49 Å²	49	44.1 Å²	44.1	51%	0.505	25%	0.252	S	S	.	.			trans	77.2	2.1	176.5	0	0	0	0	0	115.6	P36 Y41	P36-G39 WeakPolarHBondContact O-CA 3.41Å; P36-G39 PolarHBondContact O-N 2.89Å; G39-Y41 WeakPolarHBondContact O-CD2 3.41Å; G39-Y41 WeakPolarHBondContact O-CE2 3.3Å
40	E	98.4	Very high	97.9	Very high	120 Å²	120	44.6 Å²	44.6	56%	0.561	26%	0.26	S	S	*	.			trans	-85.3	140.4	-173	-65.3	-60.1	146.4	0	0	113.2	P36 D38 S58	P36-E40 WeakPolarHBondContact CG-O 3.47Å; D38-E40 PolarHBondContact O-N 3.17Å; E40-S58 WeakPolarHBondContact O-CA 3.39Å; E40-S58 WeakPolarHBondContact O-CB 3.23Å; E40-S58 PolarHBondContact O-N 3.1Å
41	Y	98.7	Very high	97.6	Very high	40 Å²	40	47.1 Å²	47.1	16%	0.157	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.5	176.1	-69.3	-100.3	0	0	0	110.2	R24 D26 P36 G39 E55 V56 A57	R24-Y41 HydrophobicContact CG-CD1 3.59Å; R24-Y41 HydrophobicContact CG-CE1 3.26Å; R24-Y41 VanDerWaalsContact NH1-CE2 3.29Å; D26-Y41 PolarHBondContact OD1-OH 3.22Å; P36-Y41 WeakPolarHBondContact CD-OH 3.39Å; P36-Y41 HydrophobicContact CG-CD2 4.26Å; P36-Y41 HydrophobicContact CG-CE1 4.27Å; P36-Y41 HydrophobicContact CG-CE2 3.74Å; G39-Y41 WeakPolarHBondContact O-CD2 3.41Å; G39-Y41 WeakPolarHBondContact O-CE2 3.3Å; Y41-E55 HydrophobicContact CD1-CB 4.4Å; Y41-V56 WeakPolarHBondContact CA-O 3.38Å; Y41-V56 VanDerWaalsContact CD1-C 3.46Å; Y41-A57 HydrophobicContact CD1-CB 4.46Å; Y41-A57 HydrophobicContact CE1-CB 4.13Å
42	Y	98.3	Very high	97.4	Very high	16 Å²	16	49.9 Å²	49.9	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.8	170.2	67.3	-88.8	0	0	0	111.3	E55 V56 A57 R197	Y42-E55 CarbonylContact O-C 3.55Å; Y42-E55 WeakPolarHBondContact O-CA 3.22Å; Y42-V56 VanDerWaalsContact CD1-O 3.25Å; Y42-V56 WeakPolarHBondContact CD1-O 3.21Å; Y42-V56 HydrophobicContact CE1-CB 3.89Å; Y42-V56 HydrophobicContact CE1-CG1 3.94Å; Y42-V56 HydrophobicContact CE2-CB 4.06Å; Y42-V56 PolarHBondContact N-O 2.81Å; Y42-V56 PolarHBondContact O-N 3.27Å; Y42-V56 WeakPolarHBondContact OH-CG1 3.3Å; Y42-A57 VanDerWaalsContact CE1-O 3.28Å; Y42-A57 WeakPolarHBondContact CE1-O 3.44Å; Y42-R197 HydrophobicContact CE1-CG 4.29Å; Y42-R197 HydrophobicContact CE2-CB 4.09Å; Y42-R197 HydrophobicContact CE2-CG 4.35Å; Y42-R197 VanDerWaalsContact CE2-O 3.32Å; Y42-R197 WeakPolarHBondContact CE2-O 3.43Å; Y42-R197 VanDerWaalsContact CG-NH2 3.31Å
43	Q	98.1	Very high	97.2	Very high	125 Å²	125	44.3 Å²	44.3	58%	0.584	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.8	174.1	-70.8	-175.9	-12.8	0	0	110.1	L45 L52	Q43-L45 HydrophobicContact CB-CD2 4.25Å; Q43-L52 HydrophobicContact CB-CD1 3.63Å; Q43-L52 HydrophobicContact CG-CD1 3.76Å
44	N	97.8	Very high	97.1	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.8	170.6	-172.3	30.8	0	0	0	108.7	L53 C54 V56 D111 L198	N44-L53 WeakPolarHBondContact O-CB 3.38Å; N44-L53 PolarHBondContact O-N 2.95Å; N44-C54 WeakPolarHBondContact CB-O 3.39Å; N44-C54 PolarHBondContact N-O 3.37Å; N44-C54 PolarHBondContact O-N 3.27Å; N44-V56 HydrophobicContact CB-CG2 4.1Å; N44-D111 PolarHBondContact ND2-OD1 2.81Å; N44-D111 PolarHBondContact OD1-OD1 2.9Å; N44-L198 PolarHBondContact OD1-O 2.63Å
45	L	96.9	Very high	97.1	Very high	67 Å²	67	41.3 Å²	41.3	35%	0.351	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	142.7	-175.3	-54	-176.9	0	0	0	109.7	Q43 Q51 L52	Q43-L45 HydrophobicContact CB-CD2 4.25Å; L45-Q51 CarbonylContact C-O 3.52Å; L45-Q51 VanDerWaalsContact CA-O 3.28Å; L45-Q51 WeakPolarHBondContact CA-O 3.31Å; L45-L52 HydrophobicContact CD2-CB 4.15Å; L45-L52 HydrophobicContact CD2-CD1 3.98Å
46	T	97.5	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.			trans	-78.2	131.6	171.1	174.7	0	0	0	0	110.8	P12 V48 T49 G50 Q51 L53 W110	P12-T46 HydrophobicContact CG-CG2 4.17Å; T46-V48 PolarHBondContact O-N 3.37Å; T46-V48 WeakPolarHBondContact OG1-CB 3.42Å; T46-V48 WeakPolarHBondContact OG1-CG2 3.48Å; T46-V48 PolarHBondContact OG1-N 3.31Å; T46-V48 VanDerWaalsContact OG1-N 3.12Å; T46-T49 VanDerWaalsContact CG2-OG1 3.3Å; T46-T49 WeakPolarHBondContact CG2-OG1 3.49Å; T46-G50 WeakPolarHBondContact O-CA 3.21Å; T46-G50 PolarHBondContact O-N 2.88Å; T46-Q51 HydrophobicContact CG2-CB 4.39Å; T46-Q51 WeakPolarHBondContact CG2-O 3.34Å; T46-Q51 PolarHBondContact N-O 3Å; T46-L53 HydrophobicContact CG2-CD2 4.31Å; T46-L53 HydrophobicContact CG2-CG 4.23Å; T46-W110 WeakPolarHBondContact CB-O 3.49Å; T46-W110 HydrophobicContact CG2-CE3 4.22Å; T46-W110 HydrophobicContact CG2-CZ3 4.39Å; T46-W110 PolarHBondContact OG1-O 2.88Å
47	P	98	Very high	97.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.9	171.3	25.3	-33.5	0	0	0	114.1	D111 N112 A348 Q349 G388 Y389	P47-D111 VanDerWaalsContact CD-O 3.25Å; P47-D111 WeakPolarHBondContact CD-O 3.49Å; P47-N112 VanDerWaalsContact CG-C 3.45Å; P47-N112 WeakPolarHBondContact CG-O 3.34Å; P47-A348 HydrophobicContact CB-CB 4.11Å; P47-A348 WeakPolarHBondContact O-CB 3.37Å; P47-Q349 WeakPolarHBondContact CB-O 3.06Å; P47-G388 VanDerWaalsContact O-CA 3.25Å; P47-G388 WeakPolarHBondContact O-CA 3.46Å; P47-Y389 HydrophobicContact CB-CD2 3.58Å; P47-Y389 HydrophobicContact CB-CE2 4.05Å; P47-Y389 HydrophobicContact CB-CG 4.5Å; P47-Y389 PolarHBondContact O-N 3.04Å; P47-Y389 VanDerWaalsContact O-N 3.09Å
48	V	97.3	Very high	97.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-43.1	-177.9	-177.4	0	0	0	0	111.3	T46 W110 P339 L385 G388 Y390	T46-V48 PolarHBondContact O-N 3.37Å; T46-V48 WeakPolarHBondContact OG1-CB 3.42Å; T46-V48 WeakPolarHBondContact OG1-CG2 3.48Å; T46-V48 PolarHBondContact OG1-N 3.31Å; T46-V48 VanDerWaalsContact OG1-N 3.12Å; V48-W110 HydrophobicContact CB-CE3 4.11Å; V48-W110 HydrophobicContact CB-CZ3 3.97Å; V48-W110 HydrophobicContact CG1-CE3 4.48Å; V48-W110 HydrophobicContact CG1-CZ3 3.97Å; V48-W110 HydrophobicContact CG2-CE3 4.06Å; V48-W110 HydrophobicContact CG2-CZ3 4.38Å; V48-P339 HydrophobicContact CG1-CG 4.41Å; V48-P339 HydrophobicContact CG2-CG 4.02Å; V48-L385 HydrophobicContact CG1-CD2 3.89Å; V48-G388 WeakPolarHBondContact O-CA 3.45Å; V48-Y390 PolarHBondContact O-OH 3.11Å; V48-Y390 VanDerWaalsContact O-OH 3.05Å
49	T	95.7	Very high	97.2	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-5.8	-176.2	62.3	0	0	0	0	113.7	I10 T46 Q51 W110 E384 L385 D387	I10-T49 HydrophobicContact CG2-CG2 4.18Å; T46-T49 VanDerWaalsContact CG2-OG1 3.3Å; T46-T49 WeakPolarHBondContact CG2-OG1 3.49Å; T49-Q51 PolarHBondContact O-N 3.17Å; T49-Q51 WeakPolarHBondContact OG1-CB 3.43Å; T49-Q51 WeakPolarHBondContact OG1-CG 3.41Å; T49-Q51 PolarHBondContact OG1-N 3.24Å; T49-W110 HydrophobicContact CG2-CZ3 4.49Å; T49-E384 WeakPolarHBondContact CG2-O 3.23Å; T49-L385 HydrophobicContact CG2-CD2 4.18Å; T49-D387 WeakPolarHBondContact O-CB 3.22Å
50	G	94.4	Very high	97.2	Very high	23 Å²	23	32.5 Å²	32.5	24%	0.237	17%	0.168	C	C	.	.	S	Bend	trans	73.9	3.9	-173.1	0	0	0	0	0	114.4	T46	T46-G50 WeakPolarHBondContact O-CA 3.21Å; T46-G50 PolarHBondContact O-N 2.88Å
51	Q	93.4	Very high	97.2	Very high	76 Å²	76	32.5 Å²	32.5	36%	0.355	17%	0.167	S	C	.	.			trans	-84.5	161	-177.2	-64.7	177.7	2.1	0	0	112.5	L45 T46 T49 L53	L45-Q51 CarbonylContact C-O 3.52Å; L45-Q51 VanDerWaalsContact CA-O 3.28Å; L45-Q51 WeakPolarHBondContact CA-O 3.31Å; T46-Q51 HydrophobicContact CG2-CB 4.39Å; T46-Q51 WeakPolarHBondContact CG2-O 3.34Å; T46-Q51 PolarHBondContact N-O 3Å; T49-Q51 PolarHBondContact O-N 3.17Å; T49-Q51 WeakPolarHBondContact OG1-CB 3.43Å; T49-Q51 WeakPolarHBondContact OG1-CG 3.41Å; T49-Q51 PolarHBondContact OG1-N 3.24Å; Q51-L53 PolarHBondContact O-N 3.18Å
52	L	94.5	Very high	97.2	Very high	82 Å²	82	38.1 Å²	38.1	43%	0.429	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.8	174.1	-177.1	67.6	0	0	0	111.1	Q43 L45 C54	Q43-L52 HydrophobicContact CB-CD1 3.63Å; Q43-L52 HydrophobicContact CG-CD1 3.76Å; L45-L52 HydrophobicContact CD2-CB 4.15Å; L45-L52 HydrophobicContact CD2-CD1 3.98Å; L52-C54 WeakPolarHBondContact CD1-O 3.37Å
53	L	94.7	Very high	97.3	Very high	13 Å²	13	37.4 Å²	37.4	7%	0.068	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-56.5	166.7	-74.7	168.2	0	0	0	110.7	P12 L21 N44 T46 Q51 W110 D111	P12-L53 HydrophobicContact CB-CD2 3.57Å; P12-L53 HydrophobicContact CG-CD2 3.4Å; P12-L53 VanDerWaalsContact CG-CD2 3.4Å; P12-L53 HydrophobicContact CG-CG 4.44Å; L21-L53 HydrophobicContact CD1-CD2 4.22Å; N44-L53 WeakPolarHBondContact O-CB 3.38Å; N44-L53 PolarHBondContact O-N 2.95Å; T46-L53 HydrophobicContact CG2-CD2 4.31Å; T46-L53 HydrophobicContact CG2-CG 4.23Å; Q51-L53 PolarHBondContact O-N 3.18Å; L53-W110 HydrophobicContact CD2-CB 3.98Å; L53-W110 HydrophobicContact CD2-CG 4.45Å; L53-D111 HydrophobicContact CD1-CB 4.31Å; L53-D111 WeakPolarHBondContact CD1-OD1 3.41Å
54	C	96.7	Very high	97.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	171.7	-178.1	58.5	0	0	0	0	110.6	K22 Y25 N44 L52	K22-C54 WeakPolarHBondContact O-CB 3.27Å; Y25-C54 HydrophobicContact CD2-CB 3.95Å; Y25-C54 HydrophobicContact CE2-CB 3.92Å; N44-C54 WeakPolarHBondContact CB-O 3.39Å; N44-C54 PolarHBondContact N-O 3.37Å; N44-C54 PolarHBondContact O-N 3.27Å; L52-C54 WeakPolarHBondContact CD1-O 3.37Å
55	E	98.6	Very high	97.3	Very high	56 Å²	56	33.5 Å²	33.5	26%	0.262	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	145.8	162.8	-64.7	-174.8	147.1	0	0	110.7	A23 R24 Y25 Y41 Y42	A23-E55 PolarHBondContact O-N 2.89Å; R24-E55 CarbonylContact C-O 3.6Å; R24-E55 VanDerWaalsContact CA-O 3.26Å; R24-E55 WeakPolarHBondContact CA-O 3.18Å; R24-E55 HydrophobicContact CB-CB 4.32Å; R24-E55 HydrophobicContact CG-CB 4.44Å; R24-E55 IonicContact CZ-OE2 2.76Å; R24-E55 IonicContact NE-OE2 3.7Å; R24-E55 PolarHBondContact NE-OE2 3.42Å; R24-E55 VanDerWaalsContact NE-OE2 3.15Å; R24-E55 IonicContact NH2-OE2 2.94Å; R24-E55 PolarHBondContact NH2-OE2 2.7Å; Y25-E55 PolarHBondContact N-O 3.05Å; Y41-E55 HydrophobicContact CD1-CB 4.4Å; Y42-E55 CarbonylContact O-C 3.55Å; Y42-E55 WeakPolarHBondContact O-CA 3.22Å
56	V	98.8	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.6	178.1	-178.8	0	0	0	0	109.7	Y25 Y41 Y42 N44 S58 P200 L204 N223	Y25-V56 WeakPolarHBondContact O-CA 3.32Å; Y41-V56 WeakPolarHBondContact CA-O 3.38Å; Y41-V56 VanDerWaalsContact CD1-C 3.46Å; Y42-V56 VanDerWaalsContact CD1-O 3.25Å; Y42-V56 WeakPolarHBondContact CD1-O 3.21Å; Y42-V56 HydrophobicContact CE1-CB 3.89Å; Y42-V56 HydrophobicContact CE1-CG1 3.94Å; Y42-V56 HydrophobicContact CE2-CB 4.06Å; Y42-V56 PolarHBondContact N-O 2.81Å; Y42-V56 PolarHBondContact O-N 3.27Å; Y42-V56 WeakPolarHBondContact OH-CG1 3.3Å; N44-V56 HydrophobicContact CB-CG2 4.1Å; V56-S58 PolarHBondContact O-N 3.44Å; V56-P200 HydrophobicContact CB-CG 4.45Å; V56-P200 HydrophobicContact CG1-CB 4.32Å; V56-P200 HydrophobicContact CG1-CG 4.25Å; V56-P200 HydrophobicContact CG2-CG 3.82Å; V56-L204 HydrophobicContact CG1-CD1 4.1Å; V56-L204 HydrophobicContact CG2-CD1 4.27Å; V56-N223 HydrophobicContact CG1-CB 3.62Å
57	A	98.8	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.6	127.7	179.6	0	0	0	0	0	112.2	Y25 P36 Y41 Y42 N223	Y25-A57 PolarHBondContact O-N 3.09Å; P36-A57 HydrophobicContact CB-CB 4.1Å; P36-A57 HydrophobicContact CG-CB 3.84Å; Y41-A57 HydrophobicContact CD1-CB 4.46Å; Y41-A57 HydrophobicContact CE1-CB 4.13Å; Y42-A57 VanDerWaalsContact CE1-O 3.28Å; Y42-A57 WeakPolarHBondContact CE1-O 3.44Å; A57-N223 CarbonylContact O-C 3.32Å; A57-N223 VanDerWaalsContact O-C 3.3Å; A57-N223 WeakPolarHBondContact O-CB 3.35Å; A57-N223 VanDerWaalsContact O-O 3.04Å
58	S	98.6	Very high	97.6	Very high	37 Å²	37	34 Å²	34	26%	0.259	17%	0.17	S	C	.	.			trans	-102.8	78.1	175.3	-172.7	0	0	0	0	109.6	E40 V56	E40-S58 WeakPolarHBondContact O-CA 3.39Å; E40-S58 WeakPolarHBondContact O-CB 3.23Å; E40-S58 PolarHBondContact O-N 3.1Å; V56-S58 PolarHBondContact O-N 3.44Å
59	S	98.8	Very high	97.6	Very high	7 Å²	7	37 Å²	37	5%	0.049	19%	0.187	C	C	.	.			trans	-75.3	156	-169.2	-51.3	0	0	0	0	114.2	N27 D63 N223 I229	N27-S59 PolarHBondContact ND2-OG 3.32Å; N27-S59 PolarHBondContact OD1-OG 3.48Å; N27-S59 VanDerWaalsContact OD1-OG 3.12Å; S59-D63 WeakPolarHBondContact CA-OD2 3.39Å; S59-D63 WeakPolarHBondContact CB-OD2 3.35Å; S59-N223 WeakPolarHBondContact CA-O 3.39Å; S59-N223 WeakPolarHBondContact CB-O 3.03Å; S59-N223 PolarHBondContact N-O 2.68Å; S59-N223 PolarHBondContact OG-O 3.48Å; S59-I229 WeakPolarHBondContact O-CG2 3.44Å
60	G	98	Very high	97.8	Very high	10 Å²	10	37.4 Å²	37.4	10%	0.103	19%	0.19	C	C	.	.			trans	-109.6	-164.6	171.8	0	0	0	0	0	112.7	R62 D63 I229	G60-R62 VanDerWaalsContact C-N 3.3Å; G60-R62 PolarHBondContact O-N 2.87Å; G60-D63 PolarHBondContact N-OD2 3.41Å; G60-D63 PolarHBondContact O-N 2.95Å; G60-I229 WeakPolarHBondContact O-CG2 3.21Å
61	K	98.4	Very high	98	Very high	120 Å²	120	36.3 Å²	36.3	52%	0.522	18%	0.179	S	C	.	.	H	α-helix	trans	-63.5	-34.9	-180	-63.2	-176.5	177.6	-179.2	0	112.6	D63 I64 D65 Y232	K61-D63 VanDerWaalsContact C-N 3.32Å; K61-D63 PolarHBondContact O-N 2.86Å; K61-I64 WeakPolarHBondContact O-CB 3.27Å; K61-I64 PolarHBondContact O-N 3.39Å; K61-D65 PolarHBondContact O-N 2.77Å; K61-Y232 HydrophobicContact CB-CD1 3.71Å; K61-Y232 HydrophobicContact CB-CD2 4.33Å; K61-Y232 HydrophobicContact CB-CE1 3.69Å; K61-Y232 HydrophobicContact CB-CE2 4.31Å; K61-Y232 HydrophobicContact CB-CG 4.04Å; K61-Y232 HydrophobicContact CD-CD1 4.49Å; K61-Y232 HydrophobicContact CD-CD2 3.64Å; K61-Y232 HydrophobicContact CD-CE2 3.87Å; K61-Y232 HydrophobicContact CD-CG 3.97Å; K61-Y232 HydrophobicContact CG-CD1 3.84Å; K61-Y232 HydrophobicContact CG-CD2 3.86Å; K61-Y232 HydrophobicContact CG-CE1 4.23Å; K61-Y232 HydrophobicContact CG-CE2 4.24Å; K61-Y232 HydrophobicContact CG-CG 3.64Å; K61-Y232 WeakPolarHBondContact O-CE1 3.42Å
62	R	98.6	Very high	98.3	Very high	159 Å²	159	35.6 Å²	35.6	60%	0.6	18%	0.175	S	C	*	.	H	α-helix	trans	-59.7	-40	179.6	-72.9	176.1	171.3	164.8	-5.8	112.5	A37 D38 G60 I64 D65 L66	A37-R62 HydrophobicContact CB-CB 3.81Å; D38-R62 IonicContact OD1-NH1 3.93Å; D38-R62 PolarHBondContact OD1-NH1 3.35Å; G60-R62 VanDerWaalsContact C-N 3.3Å; G60-R62 PolarHBondContact O-N 2.87Å; R62-I64 VanDerWaalsContact C-N 3.34Å; R62-D65 WeakPolarHBondContact O-CB 3.43Å; R62-D65 PolarHBondContact O-N 2.8Å; R62-L66 WeakPolarHBondContact O-CG 3.37Å; R62-L66 PolarHBondContact O-N 2.75Å
63	D	98.9	Very high	98.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-35.3	179.1	-55.2	-76.7	0	0	0	112.1	P36 A37 S59 G60 K61 L66 A67 V222	P36-D63 WeakPolarHBondContact CA-OD1 3.39Å; A37-D63 PolarHBondContact N-OD1 2.97Å; S59-D63 WeakPolarHBondContact CA-OD2 3.39Å; S59-D63 WeakPolarHBondContact CB-OD2 3.35Å; G60-D63 PolarHBondContact N-OD2 3.41Å; G60-D63 PolarHBondContact O-N 2.95Å; K61-D63 VanDerWaalsContact C-N 3.32Å; K61-D63 PolarHBondContact O-N 2.86Å; D63-L66 PolarHBondContact O-N 3.13Å; D63-A67 WeakPolarHBondContact O-CB 3.28Å; D63-A67 PolarHBondContact O-N 3.27Å; D63-V222 HydrophobicContact CB-CG1 3.92Å
64	I	98.9	Very high	98.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-42.5	171.6	-65.9	-66.9	0	0	0	110.4	K61 R62 L66 A67 L68 V192 V222 I229 Y232 L233	K61-I64 WeakPolarHBondContact O-CB 3.27Å; K61-I64 PolarHBondContact O-N 3.39Å; R62-I64 VanDerWaalsContact C-N 3.34Å; I64-L66 VanDerWaalsContact C-N 3.34Å; I64-L66 PolarHBondContact O-N 2.66Å; I64-A67 PolarHBondContact O-N 2.85Å; I64-L68 HydrophobicContact CG2-CD1 3.73Å; I64-L68 HydrophobicContact CG2-CG 4.24Å; I64-L68 WeakPolarHBondContact O-CB 3.44Å; I64-L68 WeakPolarHBondContact O-CG 3.2Å; I64-L68 PolarHBondContact O-N 3.03Å; I64-V192 HydrophobicContact CD1-CG1 4.34Å; I64-V222 HydrophobicContact CD1-CB 3.87Å; I64-V222 HydrophobicContact CD1-CG1 3.81Å; I64-V222 HydrophobicContact CD1-CG2 4.12Å; I64-V222 HydrophobicContact CG1-CG1 4.33Å; I64-I229 HydrophobicContact CD1-CB 4.07Å; I64-I229 HydrophobicContact CG1-CB 3.85Å; I64-I229 HydrophobicContact CG1-CG2 4.13Å; I64-Y232 HydrophobicContact CB-CD1 3.77Å; I64-Y232 HydrophobicContact CB-CE1 4.11Å; I64-Y232 HydrophobicContact CG1-CD1 4.29Å; I64-Y232 HydrophobicContact CG2-CD1 3.66Å; I64-Y232 HydrophobicContact CG2-CE1 3.96Å; I64-L233 HydrophobicContact CD1-CB 4.41Å; I64-L233 HydrophobicContact CG2-CB 4.39Å; I64-L233 HydrophobicContact CG2-CD1 4.21Å
65	D	98.9	Very high	98.8	Very high	48 Å²	48	43 Å²	43	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-61.7	-41.1	175.2	-76.5	-36.6	0	0	0	112.3	K61 R62 L68 D69 Y232 R238	K61-D65 PolarHBondContact O-N 2.77Å; R62-D65 WeakPolarHBondContact O-CB 3.43Å; R62-D65 PolarHBondContact O-N 2.8Å; D65-L68 PolarHBondContact O-N 2.73Å; D65-D69 WeakPolarHBondContact O-CB 3.42Å; D65-D69 PolarHBondContact O-N 3.13Å; D65-Y232 PolarHBondContact OD1-OH 3.48Å; D65-Y232 PolarHBondContact OD2-OH 2.62Å; D65-Y232 VanDerWaalsContact OD2-OH 3.13Å; D65-R238 IonicContact OD1-NH1 3.31Å
66	L	98.9	Very high	98.8	Very high	77 Å²	77	44.6 Å²	44.6	40%	0.403	22%	0.216	S	C	.	.	H	α-helix	trans	-62	-43.1	174.5	-69.6	173	0	0	0	112	I29 R62 D63 I64 D69 A70	I29-L66 HydrophobicContact CD1-CB 4.32Å; I29-L66 HydrophobicContact CG2-CB 4.3Å; R62-L66 WeakPolarHBondContact O-CG 3.37Å; R62-L66 PolarHBondContact O-N 2.75Å; D63-L66 PolarHBondContact O-N 3.13Å; I64-L66 VanDerWaalsContact C-N 3.34Å; I64-L66 PolarHBondContact O-N 2.66Å; L66-D69 PolarHBondContact O-N 3.15Å; L66-A70 WeakPolarHBondContact O-CB 3.41Å; L66-A70 PolarHBondContact O-N 3.44Å
67	A	98.9	Very high	98.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-41.2	175.3	0	0	0	0	0	112.3	I29 D63 I64 A70 A71 V192 N220 V222	I29-A67 HydrophobicContact CD1-CB 4.34Å; I29-A67 HydrophobicContact CG1-CB 4.22Å; I29-A67 HydrophobicContact CG2-CB 4.49Å; D63-A67 WeakPolarHBondContact O-CB 3.28Å; D63-A67 PolarHBondContact O-N 3.27Å; I64-A67 PolarHBondContact O-N 2.85Å; A67-A70 PolarHBondContact O-N 2.95Å; A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.41Å; A67-V192 HydrophobicContact CB-CG1 3.98Å; A67-V192 HydrophobicContact CB-CG2 4.16Å; A67-N220 HydrophobicContact CB-CB 3.82Å; A67-V222 HydrophobicContact CB-CG2 3.61Å
68	L	98.9	Very high	98.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-41.2	175.5	-70	167.4	0	0	0	111.4	I64 D65 A70 A71 H72 V163 V192 L233 S236 R238 I239	I64-L68 HydrophobicContact CG2-CD1 3.73Å; I64-L68 HydrophobicContact CG2-CG 4.24Å; I64-L68 WeakPolarHBondContact O-CB 3.44Å; I64-L68 WeakPolarHBondContact O-CG 3.2Å; I64-L68 PolarHBondContact O-N 3.03Å; D65-L68 PolarHBondContact O-N 2.73Å; L68-A70 VanDerWaalsContact C-N 3.35Å; L68-A71 PolarHBondContact O-N 3.19Å; L68-H72 WeakPolarHBondContact O-CB 3.12Å; L68-H72 PolarHBondContact O-CD2 2.8Å; L68-H72 PolarHBondContact O-N 2.84Å; L68-V163 HydrophobicContact CD2-CG1 4.09Å; L68-V192 HydrophobicContact CD2-CG2 4Å; L68-V192 HydrophobicContact CG-CG2 4.47Å; L68-L233 HydrophobicContact CD2-CD1 4.34Å; L68-S236 WeakPolarHBondContact CD1-OG 3.46Å; L68-R238 HydrophobicContact CD1-CB 4.17Å; L68-R238 HydrophobicContact CD2-CB 4.27Å; L68-I239 HydrophobicContact CD2-CG2 3.65Å
69	D	98.9	Very high	98.7	Very high	65 Å²	65	51.7 Å²	51.7	35%	0.348	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-46.1	174.4	-74.5	-7.1	0	0	0	111.2	D65 L66 K73 R238	D65-D69 WeakPolarHBondContact O-CB 3.42Å; D65-D69 PolarHBondContact O-N 3.13Å; L66-D69 PolarHBondContact O-N 3.15Å; D69-K73 WeakPolarHBondContact O-CD 3.42Å; D69-K73 WeakPolarHBondContact O-CG 3.41Å; D69-K73 PolarHBondContact O-N 3.13Å; D69-K73 VanDerWaalsContact O-N 3.1Å; D69-R238 IonicContact OD1-CZ 2.66Å; D69-R238 IonicContact OD1-NH1 3.27Å; D69-R238 PolarHBondContact OD1-NH1 2.91Å; D69-R238 IonicContact OD1-NH2 2.72Å; D69-R238 PolarHBondContact OD1-NH2 3.21Å
70	A	98.9	Very high	98.7	Very high	11 Å²	11	59.2 Å²	59.2	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-46.7	176.4	0	0	0	0	0	111.8	I29 L66 A67 L68 K73 N220	I29-A70 HydrophobicContact CG2-CB 4.11Å; L66-A70 WeakPolarHBondContact O-CB 3.41Å; L66-A70 PolarHBondContact O-N 3.44Å; A67-A70 PolarHBondContact O-N 2.95Å; L68-A70 VanDerWaalsContact C-N 3.35Å; A70-K73 PolarHBondContact O-N 2.79Å; A70-N220 WeakPolarHBondContact CB-OD1 3.34Å
71	A	99	Very high	98.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-46	178.4	0	0	0	0	0	112.7	A67 L68 K73 V74 K75 V163 C190 V192 G217	A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.41Å; L68-A71 PolarHBondContact O-N 3.19Å; A71-K73 VanDerWaalsContact C-N 3.3Å; A71-K73 PolarHBondContact O-N 3.06Å; A71-V74 PolarHBondContact O-N 2.75Å; A71-K75 PolarHBondContact O-N 3.47Å; A71-V163 HydrophobicContact CB-CB 4.44Å; A71-V163 HydrophobicContact CB-CG1 3.68Å; A71-V163 HydrophobicContact CB-CG2 3.84Å; A71-C190 HydrophobicContact CB-CB 3.95Å; A71-V192 HydrophobicContact CB-CG2 4.45Å; A71-G217 WeakPolarHBondContact CA-O 3.32Å
72	H	98.9	Very high	98.7	Very high	60 Å²	60	56.4 Å²	56.4	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-31.6	-179.8	-86.7	-78.5	0	0	0	113.1	L68 V74 R238	L68-H72 WeakPolarHBondContact O-CB 3.12Å; L68-H72 PolarHBondContact O-CD2 2.8Å; L68-H72 PolarHBondContact O-N 2.84Å; H72-V74 PolarHBondContact O-N 3.01Å; H72-R238 PolarHBondContact CE1-O 2.9Å; H72-R238 PolarHBondContact NE2-O 3.22Å
73	K	98.8	Very high	98.7	Very high	171 Å²	171	51.2 Å²	51.2	74%	0.743	26%	0.259	S	S	*	.	H	α-helix	trans	-62.1	-26.2	175.6	-76.7	166.7	-172.4	174.6	0	113.2	D69 A70 A71	D69-K73 WeakPolarHBondContact O-CD 3.42Å; D69-K73 WeakPolarHBondContact O-CG 3.41Å; D69-K73 PolarHBondContact O-N 3.13Å; D69-K73 VanDerWaalsContact O-N 3.1Å; A70-K73 PolarHBondContact O-N 2.79Å; A71-K73 VanDerWaalsContact C-N 3.3Å; A71-K73 PolarHBondContact O-N 3.06Å
74	V	98.8	Very high	98.7	Very high	27 Å²	27	55.7 Å²	55.7	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-119.5	-6.8	-174	-59.3	0	0	0	0	114.9	A71 H72 D76 K77 W78 P216 V218	A71-V74 PolarHBondContact O-N 2.75Å; H72-V74 PolarHBondContact O-N 3.01Å; V74-D76 VanDerWaalsContact C-N 3.31Å; V74-D76 PolarHBondContact O-N 3.47Å; V74-K77 PolarHBondContact O-N 3.28Å; V74-W78 PolarHBondContact O-N 2.99Å; V74-P216 WeakPolarHBondContact CG1-O 3.43Å; V74-P216 WeakPolarHBondContact CG2-O 3.48Å; V74-V218 HydrophobicContact CG2-CG2 4.03Å
75	K	98.7	Very high	98.7	Very high	56 Å²	56	60 Å²	60	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-53.2	-43.6	-175.5	75.8	-179.7	179.7	68.8	0	113.7	A71 W78 A79 V163 C190	A71-K75 PolarHBondContact O-N 3.47Å; K75-W78 PolarHBondContact O-N 3.38Å; K75-A79 VanDerWaalsContact O-CB 3.27Å; K75-A79 WeakPolarHBondContact O-CB 3.22Å; K75-A79 PolarHBondContact O-N 3.06Å; K75-V163 HydrophobicContact CB-CG2 4.05Å; K75-V163 HydrophobicContact CD-CG2 4.04Å; K75-C190 VanDerWaalsContact CA-SG 3.59Å
76	D	98.7	Very high	98.7	Very high	89 Å²	89	58.3 Å²	58.3	48%	0.476	29%	0.293	S	S	.	.	H	α-helix	trans	-73.4	-40.2	-175.8	-60.2	-38.8	0	0	0	110.4	V74 W78 A79 H80	V74-D76 VanDerWaalsContact C-N 3.31Å; V74-D76 PolarHBondContact O-N 3.47Å; D76-W78 VanDerWaalsContact C-N 3.33Å; D76-W78 PolarHBondContact O-N 3.41Å; D76-A79 PolarHBondContact O-N 2.93Å; D76-H80 WeakPolarHBondContact O-CB 3.42Å; D76-H80 PolarHBondContact O-CD2 3.23Å; D76-H80 PolarHBondContact O-N 2.9Å
77	K	98.7	Very high	98.7	Very high	157 Å²	157	54.7 Å²	54.7	68%	0.683	28%	0.275	S	S	*	.	H	α-helix	trans	-61.7	-41.7	173.9	-177.1	178.3	177.6	-178.6	0	111.5	V74 H80 T81	V74-K77 PolarHBondContact O-N 3.28Å; K77-H80 PolarHBondContact O-N 2.91Å; K77-T81 PolarHBondContact O-N 3.18Å; K77-T81 VanDerWaalsContact O-N 3.09Å; K77-T81 PolarHBondContact O-OG1 3.04Å
78	W	98.8	Very high	98.7	Very high	3 Å²	3	56.8 Å²	56.8	1%	0.011	29%	0.292	C	S	.	.	H	α-helix	trans	-69.4	-42.1	177.8	-174.9	-121.7	0	0	0	112.2	V74 K75 D76 H80 T81 R86 I89 L185 G188 N189 P215 V218	V74-W78 PolarHBondContact O-N 2.99Å; K75-W78 PolarHBondContact O-N 3.38Å; D76-W78 VanDerWaalsContact C-N 3.33Å; D76-W78 PolarHBondContact O-N 3.41Å; W78-H80 VanDerWaalsContact C-N 3.26Å; W78-H80 PolarHBondContact O-N 3.06Å; W78-T81 HydrophobicContact CE3-CG2 4.2Å; W78-T81 HydrophobicContact CZ3-CG2 3.96Å; W78-T81 VanDerWaalsContact O-CB 3.25Å; W78-T81 WeakPolarHBondContact O-CB 3.26Å; W78-T81 PolarHBondContact O-N 2.81Å; W78-T81 PolarHBondContact O-OG1 2.8Å; W78-R86 HydrophobicContact CH2-CB 4.18Å; W78-R86 HydrophobicContact CH2-CG 3.73Å; W78-R86 HydrophobicContact CZ2-CB 4.3Å; W78-R86 HydrophobicContact CZ2-CG 3.85Å; W78-R86 HydrophobicContact CZ3-CG 4.09Å; W78-I89 HydrophobicContact CH2-CD1 3.73Å; W78-I89 HydrophobicContact CZ3-CD1 3.69Å; W78-L185 HydrophobicContact CZ2-CB 4.48Å; W78-L185 HydrophobicContact CZ2-CD2 4.41Å; W78-G188 VanDerWaalsContact CD1-C 3.44Å; W78-N189 VanDerWaalsContact CD1-O 3.31Å; W78-N189 PolarHBondContact NE1-O 3.41Å; W78-P215 HydrophobicContact CE3-CG 3.97Å; W78-P215 HydrophobicContact CZ3-CG 4.09Å; W78-V218 HydrophobicContact CB-CG2 3.94Å; W78-V218 HydrophobicContact CD2-CG1 3.95Å; W78-V218 HydrophobicContact CD2-CG2 3.87Å; W78-V218 HydrophobicContact CE3-CG2 4.15Å; W78-V218 HydrophobicContact CG-CG1 4.11Å; W78-V218 HydrophobicContact CG-CG2 3.77Å; W78-V218 HydrophobicContact CZ2-CG1 4.17Å
79	A	98.5	Very high	98.7	Very high	26 Å²	26	58 Å²	58	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-39	173.8	0	0	0	0	0	112.5	K75 D76 R86 P160	K75-A79 VanDerWaalsContact O-CB 3.27Å; K75-A79 WeakPolarHBondContact O-CB 3.22Å; K75-A79 PolarHBondContact O-N 3.06Å; D76-A79 PolarHBondContact O-N 2.93Å; A79-R86 PolarHBondContact O-NH1 3.37Å; A79-P160 HydrophobicContact CB-CG 3.49Å; A79-P160 VanDerWaalsContact CB-CG 3.49Å
80	H	98.1	Very high	98.7	Very high	164 Å²	164	55 Å²	55	76%	0.759	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.9	177.1	-69.7	-56.6	0	0	0	114.7	D76 K77 W78 S82	D76-H80 WeakPolarHBondContact O-CB 3.42Å; D76-H80 PolarHBondContact O-CD2 3.23Å; D76-H80 PolarHBondContact O-N 2.9Å; K77-H80 PolarHBondContact O-N 2.91Å; W78-H80 VanDerWaalsContact C-N 3.26Å; W78-H80 PolarHBondContact O-N 3.06Å; H80-S82 PolarHBondContact O-N 2.88Å
81	T	98.7	Very high	98.7	Very high	29 Å²	29	57.8 Å²	57.8	18%	0.178	29%	0.292	C	S	.	.	S	Bend	trans	-64.7	131.5	172.3	-61	0	0	0	0	108.6	K77 W78 D85 R86	K77-T81 PolarHBondContact O-N 3.18Å; K77-T81 VanDerWaalsContact O-N 3.09Å; K77-T81 PolarHBondContact O-OG1 3.04Å; W78-T81 HydrophobicContact CE3-CG2 4.2Å; W78-T81 HydrophobicContact CZ3-CG2 3.96Å; W78-T81 VanDerWaalsContact O-CB 3.25Å; W78-T81 WeakPolarHBondContact O-CB 3.26Å; W78-T81 PolarHBondContact O-N 2.81Å; W78-T81 PolarHBondContact O-OG1 2.8Å; T81-D85 HydrophobicContact CG2-CB 3.66Å; T81-R86 HydrophobicContact CG2-CG 3.78Å; T81-R86 PolarHBondContact O-NH1 3.25Å
82	S	98.3	Very high	98.7	Very high	42 Å²	42	63.2 Å²	63.2	29%	0.294	32%	0.316	S	S	.	.			trans	-60.2	153	-172.6	77.8	0	0	0	0	112.2	H80 Q84 D85 R86	H80-S82 PolarHBondContact O-N 2.88Å; S82-Q84 PolarHBondContact O-N 3.08Å; S82-D85 PolarHBondContact O-N 3.13Å; S82-D85 VanDerWaalsContact O-N 3.1Å; S82-D85 WeakPolarHBondContact OG-CB 3.41Å; S82-D85 PolarHBondContact OG-N 3.18Å; S82-D85 VanDerWaalsContact OG-N 3.1Å; S82-D85 PolarHBondContact OG-OD2 2.93Å; S82-R86 WeakPolarHBondContact O-CG 3.1Å; S82-R86 PolarHBondContact O-N 3.36Å
83	V	98.3	Very high	98.7	Very high	50 Å²	50	60.5 Å²	60.5	30%	0.303	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-30.4	176.6	-63.6	0	0	0	0	112	A87 I138	V83-A87 WeakPolarHBondContact O-CB 3.5Å; V83-A87 PolarHBondContact O-N 3.07Å; V83-I138 HydrophobicContact CB-CG1 4.12Å; V83-I138 HydrophobicContact CG1-CD1 4.43Å; V83-I138 HydrophobicContact CG1-CG1 3.98Å
84	Q	98.8	Very high	98.7	Very high	95 Å²	95	52.3 Å²	52.3	44%	0.444	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-52.3	173	-69.2	72.3	-4.1	0	0	110.6	S82 A87 A88 R139	S82-Q84 PolarHBondContact O-N 3.08Å; Q84-A87 PolarHBondContact O-N 3.48Å; Q84-A88 WeakPolarHBondContact O-CB 3.49Å; Q84-A88 PolarHBondContact O-N 3.41Å; Q84-R139 VanDerWaalsContact CG-NH1 3.26Å
85	D	98.9	Very high	98.7	Very high	89 Å²	89	54 Å²	54	48%	0.476	28%	0.276	S	S	.	.	H	α-helix	trans	-69.8	-41.1	-175.7	-62.9	-39.3	0	0	0	111.3	T81 S82 A88 I89	T81-D85 HydrophobicContact CG2-CB 3.66Å; S82-D85 PolarHBondContact O-N 3.13Å; S82-D85 VanDerWaalsContact O-N 3.1Å; S82-D85 WeakPolarHBondContact OG-CB 3.41Å; S82-D85 PolarHBondContact OG-N 3.18Å; S82-D85 VanDerWaalsContact OG-N 3.1Å; S82-D85 PolarHBondContact OG-OD2 2.93Å; D85-A88 PolarHBondContact O-N 2.89Å; D85-I89 WeakPolarHBondContact O-CG1 3.43Å; D85-I89 PolarHBondContact O-N 3.19Å
86	R	98.8	Very high	98.8	Very high	13 Å²	13	54.6 Å²	54.6	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-47.1	174.4	-62.8	-159.8	-53	-99.1	7.3	111	W78 A79 T81 S82 A88 I89 L90 A186	W78-R86 HydrophobicContact CH2-CB 4.18Å; W78-R86 HydrophobicContact CH2-CG 3.73Å; W78-R86 HydrophobicContact CZ2-CB 4.3Å; W78-R86 HydrophobicContact CZ2-CG 3.85Å; W78-R86 HydrophobicContact CZ3-CG 4.09Å; A79-R86 PolarHBondContact O-NH1 3.37Å; T81-R86 HydrophobicContact CG2-CG 3.78Å; T81-R86 PolarHBondContact O-NH1 3.25Å; S82-R86 WeakPolarHBondContact O-CG 3.1Å; S82-R86 PolarHBondContact O-N 3.36Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 2.95Å; R86-I89 PolarHBondContact O-N 2.73Å; R86-L90 WeakPolarHBondContact O-CG 3.26Å; R86-L90 PolarHBondContact O-N 3.14Å; R86-A186 VanDerWaalsContact CZ-O 3.3Å; R86-A186 PolarHBondContact NE-O 3.07Å; R86-A186 PolarHBondContact NH2-O 2.84Å
87	A	98.9	Very high	98.8	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-41.8	175.7	0	0	0	0	0	112.4	V83 Q84 I89 L90 F91 A135 I138 R139	V83-A87 WeakPolarHBondContact O-CB 3.5Å; V83-A87 PolarHBondContact O-N 3.07Å; Q84-A87 PolarHBondContact O-N 3.48Å; A87-I89 VanDerWaalsContact C-N 3.3Å; A87-I89 PolarHBondContact O-N 3.48Å; A87-L90 PolarHBondContact O-N 3.12Å; A87-F91 VanDerWaalsContact O-CD2 3.22Å; A87-F91 WeakPolarHBondContact O-CD2 3.5Å; A87-F91 PolarHBondContact O-N 2.63Å; A87-A135 HydrophobicContact CB-CB 4.25Å; A87-A135 VanDerWaalsContact CB-O 3.31Å; A87-A135 WeakPolarHBondContact CB-O 3.08Å; A87-I138 HydrophobicContact CB-CG2 3.94Å; A87-R139 HydrophobicContact CB-CG 3.65Å
88	A	98.9	Very high	98.8	Very high	43 Å²	43	48 Å²	48	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-37.6	177.2	0	0	0	0	0	112.3	Q84 D85 R86 K92	Q84-A88 WeakPolarHBondContact O-CB 3.49Å; Q84-A88 PolarHBondContact O-N 3.41Å; D85-A88 PolarHBondContact O-N 2.89Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 2.95Å; A88-K92 WeakPolarHBondContact O-CG 3.34Å; A88-K92 PolarHBondContact O-N 3.2Å; A88-K92 VanDerWaalsContact O-N 3.12Å
89	I	98.9	Very high	98.8	Very high	27 Å²	27	55 Å²	55	14%	0.138	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-45	173.6	-69.4	164.9	0	0	0	110.8	W78 D85 R86 A87 F91 K92 I93 L214	W78-I89 HydrophobicContact CH2-CD1 3.73Å; W78-I89 HydrophobicContact CZ3-CD1 3.69Å; D85-I89 WeakPolarHBondContact O-CG1 3.43Å; D85-I89 PolarHBondContact O-N 3.19Å; R86-I89 PolarHBondContact O-N 2.73Å; A87-I89 VanDerWaalsContact C-N 3.3Å; A87-I89 PolarHBondContact O-N 3.48Å; I89-F91 VanDerWaalsContact C-N 3.33Å; I89-F91 PolarHBondContact O-N 2.98Å; I89-K92 PolarHBondContact O-N 2.85Å; I89-K92 VanDerWaalsContact O-N 3.13Å; I89-I93 HydrophobicContact CG2-CD1 4.03Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 WeakPolarHBondContact O-CG1 3.49Å; I89-I93 PolarHBondContact O-N 3.27Å; I89-L214 HydrophobicContact CG2-CD2 3.92Å
90	L	99	Very high	98.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-39.2	178	-63.1	177.5	0	0	0	112.5	R86 A87 I93 A94 F131 A135 L185 A186	R86-L90 WeakPolarHBondContact O-CG 3.26Å; R86-L90 PolarHBondContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 3.12Å; L90-I93 HydrophobicContact CD2-CD1 4.34Å; L90-I93 PolarHBondContact O-N 2.96Å; L90-A94 PolarHBondContact O-N 3.24Å; L90-F131 HydrophobicContact CD2-CD1 3.85Å; L90-F131 HydrophobicContact CD2-CE1 4.22Å; L90-A135 HydrophobicContact CB-CB 3.71Å; L90-A135 HydrophobicContact CD1-CB 4.28Å; L90-L185 HydrophobicContact CD2-CB 3.78Å; L90-L185 HydrophobicContact CD2-CD1 4.1Å; L90-A186 HydrophobicContact CD1-CB 3.64Å
91	F	98.9	Very high	98.8	Very high	70 Å²	70	50.4 Å²	50.4	31%	0.307	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-43.1	172.3	-75.4	-55.4	0	0	0	112.2	A87 I89 I93 A94 D95 R132 A135	A87-F91 VanDerWaalsContact O-CD2 3.22Å; A87-F91 WeakPolarHBondContact O-CD2 3.5Å; A87-F91 PolarHBondContact O-N 2.63Å; I89-F91 VanDerWaalsContact C-N 3.33Å; I89-F91 PolarHBondContact O-N 2.98Å; F91-I93 VanDerWaalsContact C-N 3.33Å; F91-I93 PolarHBondContact O-N 2.76Å; F91-A94 WeakPolarHBondContact O-CB 3.44Å; F91-A94 PolarHBondContact O-N 2.8Å; F91-D95 PolarHBondContact O-N 3.31Å; F91-R132 HydrophobicContact CD1-CB 4.4Å; F91-R132 HydrophobicContact CD1-CG 4.31Å; F91-R132 HydrophobicContact CE1-CB 4.18Å; F91-A135 HydrophobicContact CD1-CB 3.9Å; F91-A135 HydrophobicContact CD2-CB 3.8Å; F91-A135 HydrophobicContact CE1-CB 3.72Å; F91-A135 HydrophobicContact CE2-CB 3.61Å; F91-A135 HydrophobicContact CG-CB 3.94Å; F91-A135 HydrophobicContact CZ-CB 3.57Å
92	K	98.9	Very high	98.6	Very high	114 Å²	114	53.1 Å²	53.1	50%	0.496	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-36	176.4	-71.1	174.3	-177.2	178.6	0	112.8	A88 I89 D95 R96 L213	A88-K92 WeakPolarHBondContact O-CG 3.34Å; A88-K92 PolarHBondContact O-N 3.2Å; A88-K92 VanDerWaalsContact O-N 3.12Å; I89-K92 PolarHBondContact O-N 2.85Å; I89-K92 VanDerWaalsContact O-N 3.13Å; K92-D95 PolarHBondContact O-N 2.95Å; K92-R96 WeakPolarHBondContact O-CG 3.5Å; K92-R96 PolarHBondContact O-N 3.23Å; K92-L213 HydrophobicContact CB-CD1 3.75Å; K92-L213 HydrophobicContact CB-CD2 4.33Å; K92-L213 HydrophobicContact CD-CD2 4.35Å
93	I	99	Very high	98.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-50.7	172.7	-71.4	170.2	0	0	0	109.3	I89 L90 F91 D95 R96 M97 F131 V210 L213 L214	I89-I93 HydrophobicContact CG2-CD1 4.03Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 WeakPolarHBondContact O-CG1 3.49Å; I89-I93 PolarHBondContact O-N 3.27Å; L90-I93 HydrophobicContact CD2-CD1 4.34Å; L90-I93 PolarHBondContact O-N 2.96Å; F91-I93 VanDerWaalsContact C-N 3.33Å; F91-I93 PolarHBondContact O-N 2.76Å; I93-D95 VanDerWaalsContact C-N 3.35Å; I93-D95 PolarHBondContact O-N 2.99Å; I93-R96 PolarHBondContact O-N 3.03Å; I93-M97 HydrophobicContact CG2-CG 4.46Å; I93-M97 HydrophobicContact CG2-SD 3.82Å; I93-M97 VanDerWaalsContact O-CG 3.3Å; I93-M97 WeakPolarHBondContact O-CG 3.34Å; I93-M97 PolarHBondContact O-N 3.47Å; I93-F131 HydrophobicContact CB-CD1 4.4Å; I93-F131 HydrophobicContact CD1-CE1 4.35Å; I93-F131 HydrophobicContact CG2-CD1 3.82Å; I93-F131 HydrophobicContact CG2-CD2 3.93Å; I93-F131 HydrophobicContact CG2-CE1 3.84Å; I93-F131 HydrophobicContact CG2-CE2 3.93Å; I93-F131 HydrophobicContact CG2-CG 3.88Å; I93-F131 HydrophobicContact CG2-CZ 3.89Å; I93-V210 HydrophobicContact CB-CG1 4.5Å; I93-V210 HydrophobicContact CG1-CB 4.1Å; I93-V210 HydrophobicContact CG1-CG2 4.27Å; I93-V210 HydrophobicContact CG2-CB 4.45Å; I93-V210 HydrophobicContact CG2-CG1 4.18Å; I93-V210 HydrophobicContact CG2-CG2 4.3Å; I93-L213 HydrophobicContact CG1-CD1 4.02Å; I93-L214 HydrophobicContact CD1-CD1 4.48Å; I93-L214 HydrophobicContact CD1-CD2 4.19Å; I93-L214 HydrophobicContact CD1-CG 4.42Å
94	A	98.9	Very high	98.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-44.8	177.4	0	0	0	0	0	112.3	L90 F91 R96 M97 E98 I128 F131 R132	L90-A94 PolarHBondContact O-N 3.24Å; F91-A94 WeakPolarHBondContact O-CB 3.44Å; F91-A94 PolarHBondContact O-N 2.8Å; A94-R96 PolarHBondContact O-N 3.38Å; A94-M97 PolarHBondContact O-N 3.4Å; A94-E98 WeakPolarHBondContact O-CB 3.48Å; A94-E98 PolarHBondContact O-N 3.42Å; A94-I128 HydrophobicContact CB-CG2 4Å; A94-F131 HydrophobicContact CB-CB 4Å; A94-R132 HydrophobicContact CB-CG 3.53Å
95	D	98.9	Very high	98.4	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.332	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-43.2	178.7	-63.4	-19.2	0	0	0	111.9	F91 K92 I93 E98 Q99 R132	F91-D95 PolarHBondContact O-N 3.31Å; K92-D95 PolarHBondContact O-N 2.95Å; I93-D95 VanDerWaalsContact C-N 3.35Å; I93-D95 PolarHBondContact O-N 2.99Å; D95-E98 PolarHBondContact O-N 2.78Å; D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.14Å; D95-R132 IonicContact OD1-CZ 4Å; D95-R132 VanDerWaalsContact OD1-CZ 3.25Å; D95-R132 IonicContact OD1-NH1 3.49Å; D95-R132 PolarHBondContact OD1-NH1 3.38Å; D95-R132 IonicContact OD1-NH2 3.64Å; D95-R132 PolarHBondContact OD1-NH2 2.96Å
96	R	98.9	Very high	98.3	Very high	69 Å²	69	41.8 Å²	41.8	26%	0.26	20%	0.204	S	C	.	.	H	α-helix	trans	-70.8	-34.2	178.3	-71.6	-163.9	-176.9	-179	3.3	112.8	K92 I93 A94 N100 I209 V210 D212 L213	K92-R96 WeakPolarHBondContact O-CG 3.5Å; K92-R96 PolarHBondContact O-N 3.23Å; I93-R96 PolarHBondContact O-N 3.03Å; A94-R96 PolarHBondContact O-N 3.38Å; R96-N100 PolarHBondContact O-N 2.84Å; R96-N100 PolarHBondContact O-ND2 3.47Å; R96-I209 HydrophobicContact CB-CG2 3.78Å; R96-I209 WeakPolarHBondContact CD-O 3.48Å; R96-I209 PolarHBondContact NH1-O 3.34Å; R96-V210 HydrophobicContact CB-CG1 4.03Å; R96-D212 IonicContact CZ-OD1 2.77Å; R96-D212 IonicContact CZ-OD2 3.15Å; R96-D212 VanDerWaalsContact CZ-OD2 3.31Å; R96-D212 IonicContact NH1-OD1 3.79Å; R96-D212 PolarHBondContact NH1-OD1 3.37Å; R96-D212 IonicContact NH1-OD2 3.9Å; R96-D212 PolarHBondContact NH1-OD2 3.46Å; R96-D212 IonicContact NH2-OD1 3.98Å; R96-D212 IonicContact NH2-OD2 3.44Å; R96-D212 PolarHBondContact NH2-OD2 2.79Å; R96-L213 HydrophobicContact CG-CD1 4.31Å; R96-L213 VanDerWaalsContact CZ-CD2 3.44Å; R96-L213 VanDerWaalsContact NH2-CD2 3.27Å
97	M	98.8	Very high	98.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-44.5	171.6	-72.6	173.2	71	0	0	111.1	I93 A94 Q99 N100 L101 L104 A127 I128 F131 L174 L206 V210	I93-M97 HydrophobicContact CG2-CG 4.46Å; I93-M97 HydrophobicContact CG2-SD 3.82Å; I93-M97 VanDerWaalsContact O-CG 3.3Å; I93-M97 WeakPolarHBondContact O-CG 3.34Å; I93-M97 PolarHBondContact O-N 3.47Å; A94-M97 PolarHBondContact O-N 3.4Å; M97-Q99 PolarHBondContact O-N 2.84Å; M97-N100 CarbonylContact O-C 3.48Å; M97-N100 VanDerWaalsContact O-C 3.23Å; M97-N100 PolarHBondContact O-N 2.97Å; M97-L101 PolarHBondContact O-N 2.92Å; M97-L104 HydrophobicContact CB-CD1 4.17Å; M97-L104 HydrophobicContact CG-CD1 4.21Å; M97-A127 HydrophobicContact CE-CB 3.7Å; M97-I128 HydrophobicContact CB-CD1 4.24Å; M97-I128 HydrophobicContact CB-CG1 3.63Å; M97-I128 HydrophobicContact CE-CG1 4.22Å; M97-F131 HydrophobicContact CE-CD2 4.28Å; M97-F131 HydrophobicContact CE-CE2 4.18Å; M97-F131 HydrophobicContact SD-CD2 3.59Å; M97-F131 VanDerWaalsContact SD-CD2 3.59Å; M97-F131 HydrophobicContact SD-CE2 3.61Å; M97-L174 HydrophobicContact CE-CD1 4.38Å; M97-L174 HydrophobicContact CE-CD2 4.21Å; M97-L174 HydrophobicContact CE-CG 4.33Å; M97-L206 HydrophobicContact CE-CD1 4.17Å; M97-L206 HydrophobicContact CG-CD1 3.49Å; M97-L206 VanDerWaalsContact CG-CD1 3.49Å; M97-L206 HydrophobicContact SD-CD1 3.68Å; M97-V210 HydrophobicContact CG-CG1 4.43Å
98	E	98.8	Very high	98.2	Very high	108 Å²	108	41.1 Å²	41.1	51%	0.505	20%	0.2	S	C	.	.	H	α-helix	trans	-61.3	-42.8	177.6	-174.3	166.7	-144.7	0	0	112.1	A94 D95 N100 L101 I128 R132	A94-E98 WeakPolarHBondContact O-CB 3.48Å; A94-E98 PolarHBondContact O-N 3.42Å; D95-E98 PolarHBondContact O-N 2.78Å; E98-N100 PolarHBondContact O-N 3.13Å; E98-L101 WeakPolarHBondContact O-CB 3.3Å; E98-L101 PolarHBondContact O-N 3.19Å; E98-I128 HydrophobicContact CB-CD1 3.91Å; E98-R132 IonicContact OE2-CZ 2.63Å; E98-R132 IonicContact OE2-NH2 3.15Å; E98-R132 PolarHBondContact OE2-NH2 2.83Å
99	Q	98.7	Very high	98.1	Very high	148 Å²	148	39 Å²	39	69%	0.692	18%	0.184	S	C	*	.	H	α-helix	trans	-62.5	-21.7	174	-70.6	163	7.9	0	0	113.7	D95 M97	D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.14Å; M97-Q99 PolarHBondContact O-N 2.84Å
100	N	98	Very high	98.1	Very high	52 Å²	52	37.8 Å²	37.8	28%	0.278	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	23.3	-178.6	-68.9	-88.2	0	0	0	112.1	R96 M97 E98 E102 L103 L104 I209	R96-N100 PolarHBondContact O-N 2.84Å; R96-N100 PolarHBondContact O-ND2 3.47Å; M97-N100 CarbonylContact O-C 3.48Å; M97-N100 VanDerWaalsContact O-C 3.23Å; M97-N100 PolarHBondContact O-N 2.97Å; E98-N100 PolarHBondContact O-N 3.13Å; N100-E102 PolarHBondContact O-N 2.72Å; N100-L103 HydrophobicContact CB-CB 4.5Å; N100-L103 WeakPolarHBondContact O-CB 3.29Å; N100-L103 PolarHBondContact O-N 3.34Å; N100-L104 PolarHBondContact O-N 3.34Å; N100-I209 HydrophobicContact CB-CD1 3.71Å; N100-I209 HydrophobicContact CB-CG1 4.35Å; N100-I209 HydrophobicContact CB-CG2 4.41Å
101	L	98.4	Very high	98	Very high	43 Å²	43	37.7 Å²	37.7	23%	0.225	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-49.5	-173.6	-178.5	157.5	0	0	0	112.4	M97 E98 L103 L104 A105 V124 P125 I128	M97-L101 PolarHBondContact O-N 2.92Å; E98-L101 WeakPolarHBondContact O-CB 3.3Å; E98-L101 PolarHBondContact O-N 3.19Å; L101-L103 VanDerWaalsContact C-N 3.26Å; L101-L103 PolarHBondContact O-N 2.81Å; L101-L104 PolarHBondContact O-N 2.86Å; L101-A105 WeakPolarHBondContact O-CB 3.29Å; L101-A105 PolarHBondContact O-N 3.1Å; L101-V124 HydrophobicContact CB-CG1 4.26Å; L101-V124 HydrophobicContact CD1-CG1 4.4Å; L101-V124 HydrophobicContact CG-CB 4.19Å; L101-V124 HydrophobicContact CG-CG1 3.85Å; L101-P125 HydrophobicContact CD1-CG 4.1Å; L101-I128 HydrophobicContact CD1-CD1 4.36Å
102	E	95.8	Very high	98	Very high	85 Å²	85	34.4 Å²	34.4	40%	0.397	16%	0.162	S	C	.	.	H	α-helix	trans	-62	-35	-179.2	-67.6	-167.8	151.5	0	0	111.8	M1 F17 N100 T106	M1-E102 PolarHBondContact N-OE1 3.15Å; F17-E102 HydrophobicContact CD2-CB 3.55Å; F17-E102 HydrophobicContact CD2-CG 4.44Å; F17-E102 WeakPolarHBondContact CD2-OE2 3.47Å; F17-E102 HydrophobicContact CE2-CB 3.7Å; F17-E102 VanDerWaalsContact CE2-OE2 3.25Å; F17-E102 WeakPolarHBondContact CE2-OE2 3.41Å; F17-E102 HydrophobicContact CG-CB 4.09Å; F17-E102 HydrophobicContact CZ-CB 4.35Å; N100-E102 PolarHBondContact O-N 2.72Å; E102-T106 WeakPolarHBondContact O-CB 3.35Å; E102-T106 PolarHBondContact O-N 3.35Å; E102-T106 PolarHBondContact O-OG1 2.87Å
103	L	95.9	Very high	97.9	Very high	33 Å²	33	29 Å²	29	17%	0.173	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-52.9	176.3	175	66.5	0	0	0	111.1	F17 L19 N100 L101 A105 T106 A107 I209	F17-L103 HydrophobicContact CD1-CB 4.24Å; F17-L103 HydrophobicContact CD1-CD1 4.29Å; F17-L103 HydrophobicContact CE1-CB 3.73Å; F17-L103 HydrophobicContact CE1-CD1 4.03Å; F17-L103 HydrophobicContact CE1-CG 4.48Å; F17-L103 HydrophobicContact CZ-CB 4.43Å; L19-L103 HydrophobicContact CD2-CD1 3.57Å; N100-L103 HydrophobicContact CB-CB 4.5Å; N100-L103 WeakPolarHBondContact O-CB 3.29Å; N100-L103 PolarHBondContact O-N 3.34Å; L101-L103 VanDerWaalsContact C-N 3.26Å; L101-L103 PolarHBondContact O-N 2.81Å; L103-A105 PolarHBondContact O-N 3.44Å; L103-T106 PolarHBondContact O-N 3.1Å; L103-A107 WeakPolarHBondContact O-CB 3.43Å; L103-A107 PolarHBondContact O-N 2.87Å; L103-I209 HydrophobicContact CD2-CD1 4.23Å
104	L	98	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-42.9	-179.9	-72.6	169.1	0	0	0	111.4	M97 N100 L101 A107 E108 V124 L174 L205 I209	M97-L104 HydrophobicContact CB-CD1 4.17Å; M97-L104 HydrophobicContact CG-CD1 4.21Å; N100-L104 PolarHBondContact O-N 3.34Å; L101-L104 PolarHBondContact O-N 2.86Å; L104-A107 PolarHBondContact O-N 2.95Å; L104-E108 WeakPolarHBondContact O-CG 3.42Å; L104-E108 PolarHBondContact O-N 3.38Å; L104-V124 HydrophobicContact CB-CG1 4.23Å; L104-V124 HydrophobicContact CB-CG2 3.94Å; L104-V124 HydrophobicContact CD1-CG1 4.27Å; L104-L174 HydrophobicContact CB-CD2 4.15Å; L104-L174 HydrophobicContact CD1-CD2 4.2Å; L104-L174 HydrophobicContact CD2-CD2 4.27Å; L104-L174 HydrophobicContact CG-CD2 4.45Å; L104-L205 HydrophobicContact CD2-CB 4.31Å; L104-I209 HydrophobicContact CD1-CD1 4.2Å; L104-I209 HydrophobicContact CD2-CD1 3.85Å; L104-I209 HydrophobicContact CG-CD1 3.96Å
105	A	98	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-41	179.7	0	0	0	0	0	112.2	L101 L103 E108 T109 I116 T119 S120 V124	L101-A105 WeakPolarHBondContact O-CB 3.29Å; L101-A105 PolarHBondContact O-N 3.1Å; L103-A105 PolarHBondContact O-N 3.44Å; A105-E108 PolarHBondContact O-N 2.91Å; A105-T109 PolarHBondContact O-N 2.8Å; A105-T109 PolarHBondContact O-OG1 3.09Å; A105-I116 HydrophobicContact CB-CD1 4.1Å; A105-T119 WeakPolarHBondContact O-CB 3.32Å; A105-T119 PolarHBondContact O-OG1 3.42Å; A105-T119 VanDerWaalsContact O-OG1 3.05Å; A105-S120 WeakPolarHBondContact CB-OG 3.43Å; A105-V124 HydrophobicContact CB-CG2 3.95Å
106	T	96.6	Very high	97.8	Very high	6 Å²	6	27 Å²	27	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-39.9	177	-59.1	0	0	0	0	111.3	F17 L19 E102 L103 T109 W110 L340	F17-T106 HydrophobicContact CB-CG2 4.05Å; F17-T106 VanDerWaalsContact CB-OG1 3.26Å; F17-T106 WeakPolarHBondContact CB-OG1 3.46Å; L19-T106 HydrophobicContact CD1-CG2 4.11Å; L19-T106 HydrophobicContact CD2-CG2 3.87Å; L19-T106 HydrophobicContact CG-CG2 3.9Å; E102-T106 WeakPolarHBondContact O-CB 3.35Å; E102-T106 PolarHBondContact O-N 3.35Å; E102-T106 PolarHBondContact O-OG1 2.87Å; L103-T106 PolarHBondContact O-N 3.1Å; T106-T109 PolarHBondContact O-N 3.26Å; T106-W110 VanDerWaalsContact O-CD1 3.24Å; T106-W110 PolarHBondContact O-N 2.86Å; T106-L340 HydrophobicContact CG2-CD2 3.95Å
107	A	96.6	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-46.7	175.1	0	0	0	0	0	112.1	L19 L103 L104 T109 W110 D111 L201 L205	L19-A107 HydrophobicContact CD2-CB 4.41Å; L103-A107 WeakPolarHBondContact O-CB 3.43Å; L103-A107 PolarHBondContact O-N 2.87Å; L104-A107 PolarHBondContact O-N 2.95Å; A107-T109 VanDerWaalsContact C-N 3.33Å; A107-T109 PolarHBondContact O-N 2.93Å; A107-W110 PolarHBondContact O-N 3.47Å; A107-D111 VanDerWaalsContact O-CB 3.24Å; A107-D111 WeakPolarHBondContact O-CB 3.29Å; A107-D111 PolarHBondContact O-N 2.88Å; A107-L201 HydrophobicContact CB-CD2 4.12Å; A107-L201 HydrophobicContact CB-CG 4.26Å; A107-L205 HydrophobicContact CB-CD1 3.42Å; A107-L205 VanDerWaalsContact CB-CD1 3.42Å
108	E	97.6	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53.5	-48.7	172.5	-80.7	-75.8	-175.8	0	0	111.9	L104 A105 W110 D111 N112 T119 P173 L174 S202	L104-E108 WeakPolarHBondContact O-CG 3.42Å; L104-E108 PolarHBondContact O-N 3.38Å; A105-E108 PolarHBondContact O-N 2.91Å; E108-W110 PolarHBondContact O-N 3.14Å; E108-D111 PolarHBondContact O-N 3.18Å; E108-N112 VanDerWaalsContact O-CB 3.25Å; E108-N112 WeakPolarHBondContact O-CB 3.25Å; E108-N112 PolarHBondContact O-N 3.21Å; E108-T119 HydrophobicContact CB-CG2 3.45Å; E108-T119 VanDerWaalsContact CB-CG2 3.45Å; E108-T119 HydrophobicContact CG-CG2 4.4Å; E108-P173 VanDerWaalsContact OE1-CG 3.31Å; E108-P173 WeakPolarHBondContact OE1-CG 3.23Å; E108-P173 WeakPolarHBondContact OE2-CD 2.88Å; E108-P173 WeakPolarHBondContact OE2-CG 3.32Å; E108-L174 HydrophobicContact CG-CB 4.47Å; E108-L174 WeakPolarHBondContact OE1-CA 3.44Å; E108-L174 WeakPolarHBondContact OE1-CB 3.31Å; E108-L174 PolarHBondContact OE1-N 3.41Å; E108-S202 VanDerWaalsContact CD-OG 3.29Å; E108-S202 WeakPolarHBondContact OE1-CB 3.41Å; E108-S202 PolarHBondContact OE1-OG 3.01Å
109	T	98.2	Very high	97.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-42.1	-179.1	-74.9	0	0	0	0	112.8	A105 T106 A107 G113 K114 I116 T119 P339 L340	A105-T109 PolarHBondContact O-N 2.8Å; A105-T109 PolarHBondContact O-OG1 3.09Å; T106-T109 PolarHBondContact O-N 3.26Å; A107-T109 VanDerWaalsContact C-N 3.33Å; A107-T109 PolarHBondContact O-N 2.93Å; T109-G113 VanDerWaalsContact O-CA 3.23Å; T109-G113 WeakPolarHBondContact O-CA 3.32Å; T109-G113 PolarHBondContact O-N 3.11Å; T109-K114 WeakPolarHBondContact CB-O 3.46Å; T109-K114 WeakPolarHBondContact CG2-O 3.07Å; T109-K114 PolarHBondContact OG1-O 2.92Å; T109-I116 HydrophobicContact CG2-CB 4.45Å; T109-I116 WeakPolarHBondContact OG1-CA 3.29Å; T109-I116 PolarHBondContact OG1-N 3.41Å; T109-T119 WeakPolarHBondContact OG1-CG2 3.41Å; T109-T119 PolarHBondContact OG1-OG1 3.47Å; T109-T119 VanDerWaalsContact OG1-OG1 3.04Å; T109-P339 HydrophobicContact CG2-CB 3.69Å; T109-L340 HydrophobicContact CG2-CD2 3.51Å; T109-L340 HydrophobicContact CG2-CG 3.77Å
110	W	97.4	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.8	-39.8	176.6	-86.6	113.2	0	0	0	112.3	I10 K11 P12 L19 T46 V48 T49 L53 T106 A107 E108 L340	I10-W110 HydrophobicContact CG2-CH2 3.86Å; I10-W110 HydrophobicContact CG2-CZ3 4.46Å; K11-W110 VanDerWaalsContact C-CH2 3.48Å; K11-W110 VanDerWaalsContact C-CZ2 3.48Å; K11-W110 WeakPolarHBondContact O-CZ2 3.35Å; P12-W110 HydrophobicContact CG-CD2 4.32Å; P12-W110 HydrophobicContact CG-CE3 4.03Å; P12-W110 HydrophobicContact CG-CH2 4.4Å; P12-W110 HydrophobicContact CG-CZ3 4.09Å; L19-W110 HydrophobicContact CD1-CB 4.45Å; L19-W110 HydrophobicContact CD1-CG 4.11Å; T46-W110 WeakPolarHBondContact CB-O 3.49Å; T46-W110 HydrophobicContact CG2-CE3 4.22Å; T46-W110 HydrophobicContact CG2-CZ3 4.39Å; T46-W110 PolarHBondContact OG1-O 2.88Å; V48-W110 HydrophobicContact CB-CE3 4.11Å; V48-W110 HydrophobicContact CB-CZ3 3.97Å; V48-W110 HydrophobicContact CG1-CE3 4.48Å; V48-W110 HydrophobicContact CG1-CZ3 3.97Å; V48-W110 HydrophobicContact CG2-CE3 4.06Å; V48-W110 HydrophobicContact CG2-CZ3 4.38Å; T49-W110 HydrophobicContact CG2-CZ3 4.49Å; L53-W110 HydrophobicContact CD2-CB 3.98Å; L53-W110 HydrophobicContact CD2-CG 4.45Å; T106-W110 VanDerWaalsContact O-CD1 3.24Å; T106-W110 PolarHBondContact O-N 2.86Å; A107-W110 PolarHBondContact O-N 3.47Å; E108-W110 PolarHBondContact O-N 3.14Å; W110-L340 HydrophobicContact CD2-CD1 3.75Å; W110-L340 HydrophobicContact CE3-CD1 4.17Å; W110-L340 HydrophobicContact CG-CD1 4.43Å; W110-L340 HydrophobicContact CH2-CD1 3.58Å; W110-L340 HydrophobicContact CZ2-CD1 3.09Å; W110-L340 HydrophobicContact CZ3-CD1 4.09Å
111	D	97.6	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-80.1	-42.1	-172.8	-151.7	27.7	0	0	0	112.1	N44 P47 L53 A107 E108 T199 P200 L201	N44-D111 PolarHBondContact ND2-OD1 2.81Å; N44-D111 PolarHBondContact OD1-OD1 2.9Å; P47-D111 VanDerWaalsContact CD-O 3.25Å; P47-D111 WeakPolarHBondContact CD-O 3.49Å; L53-D111 HydrophobicContact CD1-CB 4.31Å; L53-D111 WeakPolarHBondContact CD1-OD1 3.41Å; A107-D111 VanDerWaalsContact O-CB 3.24Å; A107-D111 WeakPolarHBondContact O-CB 3.29Å; A107-D111 PolarHBondContact O-N 2.88Å; E108-D111 PolarHBondContact O-N 3.18Å; D111-T199 WeakPolarHBondContact OD2-CA 3.3Å; D111-P200 WeakPolarHBondContact OD2-CD 3.43Å; D111-P200 VanDerWaalsContact OD2-N 3.12Å; D111-L201 HydrophobicContact CB-CB 4.11Å; D111-L201 HydrophobicContact CB-CD2 4.46Å; D111-L201 WeakPolarHBondContact OD2-CB 3.4Å; D111-L201 PolarHBondContact OD2-N 3.31Å
112	N	98.4	Very high	97.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-93.8	-30.6	-177.1	177.6	-87.9	0	0	0	113.5	P47 E108 K114 W170 T199 N302 V350	P47-N112 VanDerWaalsContact CG-C 3.45Å; P47-N112 WeakPolarHBondContact CG-O 3.34Å; E108-N112 VanDerWaalsContact O-CB 3.25Å; E108-N112 WeakPolarHBondContact O-CB 3.25Å; E108-N112 PolarHBondContact O-N 3.21Å; N112-K114 WeakPolarHBondContact OD1-CB 3.34Å; N112-K114 WeakPolarHBondContact OD1-CE 3.27Å; N112-K114 PolarHBondContact OD1-N 3.07Å; N112-W170 PolarHBondContact ND2-O 3.44Å; N112-T199 HydrophobicContact CB-CG2 3.87Å; N112-N302 PolarHBondContact OD1-OD1 3.05Å; N112-V350 WeakPolarHBondContact O-CA 3.19Å
113	G	98.1	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.088	C	C	.	.			trans	93.3	-3.7	-177.1	0	0	0	0	0	115	T109 Q303 P339 G347 A348	T109-G113 VanDerWaalsContact O-CA 3.23Å; T109-G113 WeakPolarHBondContact O-CA 3.32Å; T109-G113 PolarHBondContact O-N 3.11Å; G113-Q303 VanDerWaalsContact C-NE2 3.31Å; G113-Q303 PolarHBondContact O-NE2 3.41Å; G113-P339 VanDerWaalsContact O-CB 3.29Å; G113-P339 WeakPolarHBondContact O-CB 3.3Å; G113-P339 WeakPolarHBondContact O-CG 3.4Å; G113-G347 VanDerWaalsContact O-CA 3.29Å; G113-G347 WeakPolarHBondContact O-CA 3.36Å; G113-A348 PolarHBondContact O-N 2.7Å
114	K	97.8	Very high	97.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.08	C	C	.	.			trans	-73.2	148.8	178.6	73.3	174.5	80	-164.5	0	114.9	T109 N112 T119 D123 N171 F172 N302 Q303	T109-K114 WeakPolarHBondContact CB-O 3.46Å; T109-K114 WeakPolarHBondContact CG2-O 3.07Å; T109-K114 PolarHBondContact OG1-O 2.92Å; N112-K114 WeakPolarHBondContact OD1-CB 3.34Å; N112-K114 WeakPolarHBondContact OD1-CE 3.27Å; N112-K114 PolarHBondContact OD1-N 3.07Å; K114-T119 HydrophobicContact CD-CG2 3.49Å; K114-T119 VanDerWaalsContact CD-CG2 3.49Å; K114-T119 HydrophobicContact CG-CG2 3.52Å; K114-D123 WeakPolarHBondContact CD-OD2 3.44Å; K114-D123 WeakPolarHBondContact CE-OD2 3.48Å; K114-D123 IonicContact NZ-OD1 3.78Å; K114-D123 IonicContact NZ-OD2 3.31Å; K114-D123 PolarHBondContact NZ-OD2 3.41Å; K114-N171 WeakPolarHBondContact CE-O 3.4Å; K114-N171 PolarHBondContact NZ-O 3.11Å; K114-F172 VanDerWaalsContact NZ-CE1 3.31Å; K114-N302 WeakPolarHBondContact CB-OD1 3.49Å; K114-N302 VanDerWaalsContact CD-OD1 3.26Å; K114-N302 WeakPolarHBondContact CD-OD1 3.31Å; K114-N302 WeakPolarHBondContact CE-OD1 3.49Å; K114-N302 PolarHBondContact NZ-OD1 3.28Å; K114-Q303 VanDerWaalsContact CA-NE2 3.25Å
115	P	98	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.094	C	C	.	.			trans	-55	138.7	-178.9	-26.6	33.3	0	0	0	114.2	R117 E118 T119 P339 T344	P115-R117 HydrophobicContact CB-CG 3.92Å; P115-R117 PolarHBondContact O-N 3.17Å; P115-R117 VanDerWaalsContact O-N 3.1Å; P115-E118 HydrophobicContact CB-CG 4.25Å; P115-E118 WeakPolarHBondContact O-CB 3.48Å; P115-E118 PolarHBondContact O-N 3.42Å; P115-T119 PolarHBondContact O-N 2.77Å; P115-P339 CarbonylContact C-O 3.58Å; P115-P339 WeakPolarHBondContact CA-O 3.4Å; P115-T344 WeakPolarHBondContact CB-O 3.28Å; P115-T344 HydrophobicContact CG-CG2 4.45Å
116	I	97.4	Very high	97.8	Very high	24 Å²	24	16.5 Å²	16.5	12%	0.123	10%	0.102	C	C	.	.	H	α-helix	trans	-58.4	-28.1	-179.7	-170.4	57.6	0	0	0	112.8	A105 T109 E118 T119 S120 P339	A105-I116 HydrophobicContact CB-CD1 4.1Å; T109-I116 HydrophobicContact CG2-CB 4.45Å; T109-I116 WeakPolarHBondContact OG1-CA 3.29Å; T109-I116 PolarHBondContact OG1-N 3.41Å; I116-E118 VanDerWaalsContact C-N 3.27Å; I116-E118 PolarHBondContact O-N 2.83Å; I116-T119 WeakPolarHBondContact CA-OG1 3.21Å; I116-T119 PolarHBondContact O-OG1 2.99Å; I116-T119 VanDerWaalsContact O-OG1 3.07Å; I116-S120 WeakPolarHBondContact O-CB 3.42Å; I116-S120 PolarHBondContact O-N 3.02Å; I116-S120 PolarHBondContact O-OG 3.49Å; I116-P339 WeakPolarHBondContact CB-O 3.26Å; I116-P339 WeakPolarHBondContact CG2-O 3.5Å; I116-P339 PolarHBondContact N-O 3.36Å
117	R	96.7	Very high	97.9	Very high	80 Å²	80	16.2 Å²	16.2	30%	0.302	10%	0.1	S	C	.	.	H	α-helix	trans	-66	-30.5	174.9	68.4	169.9	73.1	148.4	0.8	112.4	P115 A121 S342 V343 T344	P115-R117 HydrophobicContact CB-CG 3.92Å; P115-R117 PolarHBondContact O-N 3.17Å; P115-R117 VanDerWaalsContact O-N 3.1Å; R117-A121 WeakPolarHBondContact O-CB 3.39Å; R117-A121 PolarHBondContact O-N 2.76Å; R117-A121 VanDerWaalsContact O-N 3.07Å; R117-S342 PolarHBondContact NE-O 2.8Å; R117-S342 VanDerWaalsContact NE-O 3.11Å; R117-S342 PolarHBondContact NH2-O 3.03Å; R117-V343 PolarHBondContact NH2-O 3.09Å; R117-T344 PolarHBondContact NE-O 3.08Å; R117-T344 VanDerWaalsContact NE-O 3.07Å; R117-T344 PolarHBondContact NH1-O 3.41Å; R117-T344 PolarHBondContact NH2-O 3.16Å
118	E	97.9	Very high	98	Very high	16 Å²	16	16.7 Å²	16.7	8%	0.075	10%	0.102	C	C	.	.	H	α-helix	trans	-79.6	-44.5	-179.1	-61.2	-178.6	-176.1	0	0	109.2	P115 I116 S120 A122 D123 F301 N302	P115-E118 HydrophobicContact CB-CG 4.25Å; P115-E118 WeakPolarHBondContact O-CB 3.48Å; P115-E118 PolarHBondContact O-N 3.42Å; I116-E118 VanDerWaalsContact C-N 3.27Å; I116-E118 PolarHBondContact O-N 2.83Å; E118-S120 PolarHBondContact O-N 3.47Å; E118-A122 WeakPolarHBondContact O-CA 3.42Å; E118-A122 VanDerWaalsContact O-CB 3.28Å; E118-A122 WeakPolarHBondContact O-CB 3.39Å; E118-A122 PolarHBondContact O-N 3.22Å; E118-D123 PolarHBondContact O-N 2.91Å; E118-F301 HydrophobicContact CB-CE2 4.12Å; E118-F301 HydrophobicContact CG-CD2 4.14Å; E118-F301 HydrophobicContact CG-CE2 3.77Å; E118-N302 PolarHBondContact OE1-N 3.35Å; E118-N302 VanDerWaalsContact OE2-CA 3.22Å; E118-N302 WeakPolarHBondContact OE2-CA 3.25Å; E118-N302 PolarHBondContact OE2-N 2.81Å
119	T	98.5	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	I	π-helix	trans	-65.1	-41	176.6	52.5	0	0	0	0	112.3	A105 E108 T109 K114 P115 I116 V124	A105-T119 WeakPolarHBondContact O-CB 3.32Å; A105-T119 PolarHBondContact O-OG1 3.42Å; A105-T119 VanDerWaalsContact O-OG1 3.05Å; E108-T119 HydrophobicContact CB-CG2 3.45Å; E108-T119 VanDerWaalsContact CB-CG2 3.45Å; E108-T119 HydrophobicContact CG-CG2 4.4Å; T109-T119 WeakPolarHBondContact OG1-CG2 3.41Å; T109-T119 PolarHBondContact OG1-OG1 3.47Å; T109-T119 VanDerWaalsContact OG1-OG1 3.04Å; K114-T119 HydrophobicContact CD-CG2 3.49Å; K114-T119 VanDerWaalsContact CD-CG2 3.49Å; K114-T119 HydrophobicContact CG-CG2 3.52Å; P115-T119 PolarHBondContact O-N 2.77Å; I116-T119 WeakPolarHBondContact CA-OG1 3.21Å; I116-T119 PolarHBondContact O-OG1 2.99Å; I116-T119 VanDerWaalsContact O-OG1 3.07Å; T119-V124 WeakPolarHBondContact O-CG2 3.37Å; T119-V124 PolarHBondContact O-N 2.91Å; T119-V124 VanDerWaalsContact O-N 3.07Å
120	S	97.9	Very high	98.1	Very high	39 Å²	39	20 Å²	20	27%	0.273	12%	0.12	S	C	.	.	I	π-helix	trans	-76.7	-32	-178.4	-55.1	0	0	0	0	113.5	A105 I116 E118 P125	A105-S120 WeakPolarHBondContact CB-OG 3.43Å; I116-S120 WeakPolarHBondContact O-CB 3.42Å; I116-S120 PolarHBondContact O-N 3.02Å; I116-S120 PolarHBondContact O-OG 3.49Å; E118-S120 PolarHBondContact O-N 3.47Å; S120-P125 WeakPolarHBondContact O-CD 3.28Å; S120-P125 WeakPolarHBondContact O-CG 3.47Å
121	A	97.2	Very high	98.2	Very high	79 Å²	79	20.1 Å²	20.1	65%	0.653	12%	0.12	S	C	*	.	I	π-helix	trans	-103.1	-20.6	-175.9	0	0	0	0	0	114.2	R117	R117-A121 WeakPolarHBondContact O-CB 3.39Å; R117-A121 PolarHBondContact O-N 2.76Å; R117-A121 VanDerWaalsContact O-N 3.07Å
122	A	97.2	Very high	98.2	Very high	25 Å²	25	23.1 Å²	23.1	21%	0.207	13%	0.132	C	C	.	.	I	π-helix	trans	-121.5	-68.4	-178.9	0	0	0	0	0	112	E118 V124 P125 L126	E118-A122 WeakPolarHBondContact O-CA 3.42Å; E118-A122 VanDerWaalsContact O-CB 3.28Å; E118-A122 WeakPolarHBondContact O-CB 3.39Å; E118-A122 PolarHBondContact O-N 3.22Å; A122-V124 PolarHBondContact O-N 3.13Å; A122-P125 WeakPolarHBondContact O-CD 3.49Å; A122-L126 HydrophobicContact CB-CD1 4.24Å; A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 WeakPolarHBondContact O-CD1 3.46Å; A122-L126 WeakPolarHBondContact O-CG 3.4Å; A122-L126 PolarHBondContact O-N 3.41Å
123	D	98.3	Very high	98.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.137	C	C	.	.	I	π-helix	trans	-58.8	-52.7	-165.6	-66	12.7	0	0	0	113.2	K114 E118 A127 F172	K114-D123 WeakPolarHBondContact CD-OD2 3.44Å; K114-D123 WeakPolarHBondContact CE-OD2 3.48Å; K114-D123 IonicContact NZ-OD1 3.78Å; K114-D123 IonicContact NZ-OD2 3.31Å; K114-D123 PolarHBondContact NZ-OD2 3.41Å; E118-D123 PolarHBondContact O-N 2.91Å; D123-A127 VanDerWaalsContact O-CB 3.25Å; D123-A127 WeakPolarHBondContact O-CB 3.44Å; D123-A127 PolarHBondContact O-N 3.32Å; D123-F172 WeakPolarHBondContact OD1-CD1 3.37Å; D123-F172 WeakPolarHBondContact OD2-CD1 3.26Å
124	V	98.8	Very high	98.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.1	-47.6	-178.9	-175.4	0	0	0	0	111.6	L101 L104 A105 T119 A122 L126 A127 I128 L174	L101-V124 HydrophobicContact CB-CG1 4.26Å; L101-V124 HydrophobicContact CD1-CG1 4.4Å; L101-V124 HydrophobicContact CG-CB 4.19Å; L101-V124 HydrophobicContact CG-CG1 3.85Å; L104-V124 HydrophobicContact CB-CG1 4.23Å; L104-V124 HydrophobicContact CB-CG2 3.94Å; L104-V124 HydrophobicContact CD1-CG1 4.27Å; A105-V124 HydrophobicContact CB-CG2 3.95Å; T119-V124 WeakPolarHBondContact O-CG2 3.37Å; T119-V124 PolarHBondContact O-N 2.91Å; T119-V124 VanDerWaalsContact O-N 3.07Å; A122-V124 PolarHBondContact O-N 3.13Å; V124-L126 VanDerWaalsContact C-N 3.34Å; V124-L126 PolarHBondContact O-N 2.81Å; V124-A127 WeakPolarHBondContact O-CB 3.35Å; V124-A127 PolarHBondContact O-N 3.26Å; V124-A127 VanDerWaalsContact O-N 3.17Å; V124-I128 HydrophobicContact CG1-CD1 3.89Å; V124-I128 HydrophobicContact CG1-CG1 4.44Å; V124-I128 WeakPolarHBondContact O-CD1 3.47Å; V124-I128 VanDerWaalsContact O-CG1 3.3Å; V124-I128 WeakPolarHBondContact O-CG1 3.39Å; V124-I128 PolarHBondContact O-N 3.2Å; V124-L174 HydrophobicContact CG1-CD2 4.47Å; V124-L174 HydrophobicContact CG2-CD2 4.01Å
125	P	98.8	Very high	98.3	Very high	45 Å²	45	24.4 Å²	24.4	29%	0.292	14%	0.137	S	C	.	.	H	α-helix	trans	-55.9	-43.2	173.8	-29.3	37.2	0	0	0	114.2	L101 S120 A122 I128 D129	L101-P125 HydrophobicContact CD1-CG 4.1Å; S120-P125 WeakPolarHBondContact O-CD 3.28Å; S120-P125 WeakPolarHBondContact O-CG 3.47Å; A122-P125 WeakPolarHBondContact O-CD 3.49Å; P125-I128 PolarHBondContact O-N 3.32Å; P125-D129 WeakPolarHBondContact O-CB 2.96Å; P125-D129 PolarHBondContact O-N 2.99Å
126	L	98.7	Very high	98.4	Very high	32 Å²	32	27.2 Å²	27.2	17%	0.168	16%	0.156	C	C	.	.	H	α-helix	trans	-66.8	-38.7	177.2	-69.7	171.2	0	0	0	111.1	A122 V124 D129 H130 L175 Y468	A122-L126 HydrophobicContact CB-CD1 4.24Å; A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 WeakPolarHBondContact O-CD1 3.46Å; A122-L126 WeakPolarHBondContact O-CG 3.4Å; A122-L126 PolarHBondContact O-N 3.41Å; V124-L126 VanDerWaalsContact C-N 3.34Å; V124-L126 PolarHBondContact O-N 2.81Å; L126-D129 PolarHBondContact O-N 3.43Å; L126-H130 PolarHBondContact O-N 2.89Å; L126-H130 PolarHBondContact O-ND1 2.92Å; L126-L175 HydrophobicContact CB-CD1 3.54Å; L126-L175 HydrophobicContact CB-CD2 4.34Å; L126-L175 HydrophobicContact CD1-CD2 4.19Å; L126-Y468 WeakPolarHBondContact CD2-O 3.27Å
127	A	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-45.8	175.7	0	0	0	0	0	111.5	M97 D123 V124 H130 F131 L174 L175 S178	M97-A127 HydrophobicContact CE-CB 3.7Å; D123-A127 VanDerWaalsContact O-CB 3.25Å; D123-A127 WeakPolarHBondContact O-CB 3.44Å; D123-A127 PolarHBondContact O-N 3.32Å; V124-A127 WeakPolarHBondContact O-CB 3.35Å; V124-A127 PolarHBondContact O-N 3.26Å; V124-A127 VanDerWaalsContact O-N 3.17Å; A127-H130 PolarHBondContact O-N 3.22Å; A127-F131 WeakPolarHBondContact O-CD2 3.4Å; A127-F131 PolarHBondContact O-N 3.11Å; A127-L174 HydrophobicContact CB-CD2 4.44Å; A127-L174 HydrophobicContact CB-CG 4.24Å; A127-L175 HydrophobicContact CB-CD1 4.18Å; A127-S178 WeakPolarHBondContact CB-OG 3.49Å
128	I	98.9	Very high	98.5	Very high	10 Å²	10	23.2 Å²	23.2	5%	0.051	14%	0.142	C	C	.	.	H	α-helix	trans	-57.5	-49.8	173.7	-67.9	161.1	0	0	0	110.4	A94 M97 E98 L101 V124 P125 H130 F131 R132	A94-I128 HydrophobicContact CB-CG2 4Å; M97-I128 HydrophobicContact CB-CD1 4.24Å; M97-I128 HydrophobicContact CB-CG1 3.63Å; M97-I128 HydrophobicContact CE-CG1 4.22Å; E98-I128 HydrophobicContact CB-CD1 3.91Å; L101-I128 HydrophobicContact CD1-CD1 4.36Å; V124-I128 HydrophobicContact CG1-CD1 3.89Å; V124-I128 HydrophobicContact CG1-CG1 4.44Å; V124-I128 WeakPolarHBondContact O-CD1 3.47Å; V124-I128 VanDerWaalsContact O-CG1 3.3Å; V124-I128 WeakPolarHBondContact O-CG1 3.39Å; V124-I128 PolarHBondContact O-N 3.2Å; P125-I128 PolarHBondContact O-N 3.32Å; I128-H130 VanDerWaalsContact C-N 3.29Å; I128-H130 PolarHBondContact O-N 3.17Å; I128-F131 PolarHBondContact O-N 3.4Å; I128-R132 PolarHBondContact O-N 3.38Å; I128-R132 VanDerWaalsContact O-N 3.13Å
129	D	98.8	Very high	98.5	Very high	69 Å²	69	28.3 Å²	28.3	37%	0.369	16%	0.161	S	C	.	.	H	α-helix	trans	-59.1	-38.5	-178.8	-173.1	52.6	0	0	0	112.1	P125 L126 F131 R132 Y133 A470	P125-D129 WeakPolarHBondContact O-CB 2.96Å; P125-D129 PolarHBondContact O-N 2.99Å; L126-D129 PolarHBondContact O-N 3.43Å; D129-F131 PolarHBondContact O-N 3.02Å; D129-R132 PolarHBondContact O-N 3.41Å; D129-Y133 WeakPolarHBondContact O-CB 3.21Å; D129-Y133 PolarHBondContact O-N 3.41Å; D129-A470 VanDerWaalsContact OD2-CB 3.24Å; D129-A470 WeakPolarHBondContact OD2-CB 3.35Å
130	H	98.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-38.9	177.4	-79.1	75.2	0	0	0	113.2	L126 A127 I128 Y133 F134 W179 T486	L126-H130 PolarHBondContact O-N 2.89Å; L126-H130 PolarHBondContact O-ND1 2.92Å; A127-H130 PolarHBondContact O-N 3.22Å; I128-H130 VanDerWaalsContact C-N 3.29Å; I128-H130 PolarHBondContact O-N 3.17Å; H130-Y133 PolarHBondContact O-N 2.96Å; H130-F134 WeakPolarHBondContact O-CD2 3.46Å; H130-F134 PolarHBondContact O-N 3.42Å; H130-W179 AromaticContact CD2-CD1 3.45Å; H130-W179 VanDerWaalsContact CD2-CD1 3.45Å; H130-W179 AromaticContact CD2-NE1 3.73Å; H130-W179 AromaticContact CE1-CD1 3.71Å; H130-W179 AromaticContact CE1-NE1 3.18Å; H130-W179 PolarHBondContact CE1-NE1 3.17Å; H130-W179 AromaticContact CG-CD1 3.63Å; H130-W179 AromaticContact CG-NE1 3.91Å; H130-W179 AromaticContact ND1-CD1 3.76Å; H130-W179 AromaticContact ND1-NE1 3.57Å; H130-W179 AromaticContact NE2-CD1 3.52Å; H130-W179 AromaticContact NE2-NE1 3.28Å; H130-W179 PolarHBondContact NE2-NE1 3.34Å; H130-T486 VanDerWaalsContact NE2-CB 3.3Å; H130-T486 WeakPolarHBondContact NE2-CB 3.08Å; H130-T486 WeakPolarHBondContact NE2-CG2 3.36Å
131	F	98.9	Very high	98.5	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.013	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-45.3	173.2	-79.4	-73.2	0	0	0	111.6	L90 I93 A94 M97 A127 I128 D129 Y133 A135 S178 M181 A182 L185	L90-F131 HydrophobicContact CD2-CD1 3.85Å; L90-F131 HydrophobicContact CD2-CE1 4.22Å; I93-F131 HydrophobicContact CB-CD1 4.4Å; I93-F131 HydrophobicContact CD1-CE1 4.35Å; I93-F131 HydrophobicContact CG2-CD1 3.82Å; I93-F131 HydrophobicContact CG2-CD2 3.93Å; I93-F131 HydrophobicContact CG2-CE1 3.84Å; I93-F131 HydrophobicContact CG2-CE2 3.93Å; I93-F131 HydrophobicContact CG2-CG 3.88Å; I93-F131 HydrophobicContact CG2-CZ 3.89Å; A94-F131 HydrophobicContact CB-CB 4Å; M97-F131 HydrophobicContact CE-CD2 4.28Å; M97-F131 HydrophobicContact CE-CE2 4.18Å; M97-F131 HydrophobicContact SD-CD2 3.59Å; M97-F131 VanDerWaalsContact SD-CD2 3.59Å; M97-F131 HydrophobicContact SD-CE2 3.61Å; A127-F131 WeakPolarHBondContact O-CD2 3.4Å; A127-F131 PolarHBondContact O-N 3.11Å; I128-F131 PolarHBondContact O-N 3.4Å; D129-F131 PolarHBondContact O-N 3.02Å; F131-Y133 VanDerWaalsContact C-N 3.34Å; F131-Y133 PolarHBondContact O-N 2.91Å; F131-A135 VanDerWaalsContact O-CB 3.29Å; F131-A135 WeakPolarHBondContact O-CB 3.36Å; F131-A135 PolarHBondContact O-N 3.01Å; F131-S178 WeakPolarHBondContact CE2-OG 3.41Å; F131-M181 HydrophobicContact CZ-CB 4.33Å; F131-M181 HydrophobicContact CZ-CE 4.29Å; F131-A182 HydrophobicContact CD1-CB 3.74Å; F131-A182 HydrophobicContact CE1-CB 3.95Å; F131-A182 HydrophobicContact CG-CB 4.17Å; F131-L185 HydrophobicContact CE1-CD1 4.42Å
132	R	98.9	Very high	98.4	Very high	62 Å²	62	37 Å²	37	23%	0.234	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-41.8	176.5	-63.1	-169.4	-178.8	-66.8	2.4	112	F91 A94 D95 E98 I128 D129 A135 S136	F91-R132 HydrophobicContact CD1-CB 4.4Å; F91-R132 HydrophobicContact CD1-CG 4.31Å; F91-R132 HydrophobicContact CE1-CB 4.18Å; A94-R132 HydrophobicContact CB-CG 3.53Å; D95-R132 IonicContact OD1-CZ 4Å; D95-R132 VanDerWaalsContact OD1-CZ 3.25Å; D95-R132 IonicContact OD1-NH1 3.49Å; D95-R132 PolarHBondContact OD1-NH1 3.38Å; D95-R132 IonicContact OD1-NH2 3.64Å; D95-R132 PolarHBondContact OD1-NH2 2.96Å; E98-R132 IonicContact OE2-CZ 2.63Å; E98-R132 IonicContact OE2-NH2 3.15Å; E98-R132 PolarHBondContact OE2-NH2 2.83Å; I128-R132 PolarHBondContact O-N 3.38Å; I128-R132 VanDerWaalsContact O-N 3.13Å; D129-R132 PolarHBondContact O-N 3.41Å; R132-A135 WeakPolarHBondContact O-CB 3.34Å; R132-A135 PolarHBondContact O-N 2.86Å; R132-S136 PolarHBondContact O-N 2.8Å; R132-S136 PolarHBondContact O-OG 3.5Å
133	Y	98.9	Very high	98.1	Very high	28 Å²	28	38.3 Å²	38.3	11%	0.11	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-49	-179	176.1	-104.2	0	0	0	111.5	D129 H130 F131 S136 C137 A470 H471 K488	D129-Y133 WeakPolarHBondContact O-CB 3.21Å; D129-Y133 PolarHBondContact O-N 3.41Å; H130-Y133 PolarHBondContact O-N 2.96Å; F131-Y133 VanDerWaalsContact C-N 3.34Å; F131-Y133 PolarHBondContact O-N 2.91Å; Y133-S136 WeakPolarHBondContact O-CB 3.45Å; Y133-S136 PolarHBondContact O-N 3.19Å; Y133-S136 VanDerWaalsContact O-N 3.11Å; Y133-C137 WeakPolarHBondContact CE1-SG 3.28Å; Y133-C137 VanDerWaalsContact CE2-SG 3.56Å; Y133-C137 PolarHBondContact O-N 2.98Å; Y133-C137 PolarHBondContact O-SG 2.9Å; Y133-C137 PolarHBondContact OH-SG 2.91Å; Y133-A470 HydrophobicContact CD1-CB 3.8Å; Y133-A470 HydrophobicContact CD2-CB 3.92Å; Y133-A470 HydrophobicContact CG-CB 3.46Å; Y133-A470 VanDerWaalsContact CG-CB 3.46Å; Y133-H471 HydrophobicContact CD2-CB 4.23Å; Y133-H471 HydrophobicContact CE2-CB 3.43Å; Y133-H471 VanDerWaalsContact CE2-CB 3.43Å; Y133-H471 AromaticContact CE2-CG 3.77Å; Y133-H471 AromaticContact CE2-ND1 3.48Å; Y133-H471 WeakPolarHBondContact CE2-ND1 3.36Å; Y133-H471 AromaticContact CZ-ND1 3.52Å; Y133-H471 PolarHBondContact OH-ND1 2.96Å; Y133-K488 WeakPolarHBondContact OH-CB 3.34Å; Y133-K488 PolarHBondContact OH-N 3.02Å
134	F	98.9	Very high	97.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-72.8	-27.9	178.5	-79.6	-70.6	0	0	0	113.5	H130 S136 C137 I138 A182 P183 A186 H487 M490 L491	H130-F134 WeakPolarHBondContact O-CD2 3.46Å; H130-F134 PolarHBondContact O-N 3.42Å; F134-S136 PolarHBondContact O-N 2.99Å; F134-C137 HydrophobicContact CD1-CB 4.3Å; F134-C137 PolarHBondContact O-N 3.41Å; F134-I138 WeakPolarHBondContact O-CG2 3.45Å; F134-I138 PolarHBondContact O-N 3.44Å; F134-I138 VanDerWaalsContact O-N 3.09Å; F134-A182 HydrophobicContact CB-CB 4.2Å; F134-A182 HydrophobicContact CD2-CB 3.88Å; F134-A182 HydrophobicContact CG-CB 4.4Å; F134-P183 HydrophobicContact CD1-CB 3.77Å; F134-P183 HydrophobicContact CD2-CB 4.14Å; F134-P183 HydrophobicContact CD2-CG 4.28Å; F134-P183 HydrophobicContact CE1-CB 3.61Å; F134-P183 HydrophobicContact CE1-CG 4.43Å; F134-P183 HydrophobicContact CE2-CB 3.98Å; F134-P183 HydrophobicContact CE2-CG 3.96Å; F134-P183 HydrophobicContact CG-CB 4.04Å; F134-P183 HydrophobicContact CZ-CB 3.72Å; F134-P183 HydrophobicContact CZ-CG 4.05Å; F134-A186 HydrophobicContact CB-CB 4.07Å; F134-H487 WeakPolarHBondContact CZ-O 3.25Å; F134-M490 HydrophobicContact CE1-CB 4.17Å; F134-M490 HydrophobicContact CZ-CB 3.89Å; F134-L491 HydrophobicContact CD1-CD2 4.02Å; F134-L491 HydrophobicContact CD1-CG 4.25Å; F134-L491 HydrophobicContact CE1-CD2 4.43Å; F134-L491 HydrophobicContact CE1-CG 4.31Å
135	A	98.9	Very high	97.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-38.3	166.5	0	0	0	0	0	111.8	A87 L90 F91 F131 R132 I138 R139	A87-A135 HydrophobicContact CB-CB 4.25Å; A87-A135 VanDerWaalsContact CB-O 3.31Å; A87-A135 WeakPolarHBondContact CB-O 3.08Å; L90-A135 HydrophobicContact CB-CB 3.71Å; L90-A135 HydrophobicContact CD1-CB 4.28Å; F91-A135 HydrophobicContact CD1-CB 3.9Å; F91-A135 HydrophobicContact CD2-CB 3.8Å; F91-A135 HydrophobicContact CE1-CB 3.72Å; F91-A135 HydrophobicContact CE2-CB 3.61Å; F91-A135 HydrophobicContact CG-CB 3.94Å; F91-A135 HydrophobicContact CZ-CB 3.57Å; F131-A135 VanDerWaalsContact O-CB 3.29Å; F131-A135 WeakPolarHBondContact O-CB 3.36Å; F131-A135 PolarHBondContact O-N 3.01Å; R132-A135 WeakPolarHBondContact O-CB 3.34Å; R132-A135 PolarHBondContact O-N 2.86Å; A135-I138 WeakPolarHBondContact O-CG2 3.39Å; A135-R139 VanDerWaalsContact O-CG 3.23Å; A135-R139 WeakPolarHBondContact O-CG 3.24Å
136	S	98.8	Very high	97.7	Very high	58 Å²	58	46.6 Å²	46.6	41%	0.406	27%	0.266	S	S	.	.	H	α-helix	trans	-77.1	-42.4	177.6	-54.4	0	0	0	0	112	R132 Y133 F134 I138 R139 A140	R132-S136 PolarHBondContact O-N 2.8Å; R132-S136 PolarHBondContact O-OG 3.5Å; Y133-S136 WeakPolarHBondContact O-CB 3.45Å; Y133-S136 PolarHBondContact O-N 3.19Å; Y133-S136 VanDerWaalsContact O-N 3.11Å; F134-S136 PolarHBondContact O-N 2.99Å; S136-I138 PolarHBondContact O-N 3.35Å; S136-R139 WeakPolarHBondContact O-CB 3.37Å; S136-R139 PolarHBondContact O-N 2.77Å; S136-R139 VanDerWaalsContact O-N 3.17Å; S136-A140 PolarHBondContact O-N 2.94Å
137	C	98.7	Very high	97.6	Very high	15 Å²	15	52.5 Å²	52.5	10%	0.101	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-43.5	-179.4	-72	0	0	0	0	112.5	Y133 F134 R139 A140 Q141 K488 L491	Y133-C137 WeakPolarHBondContact CE1-SG 3.28Å; Y133-C137 VanDerWaalsContact CE2-SG 3.56Å; Y133-C137 PolarHBondContact O-N 2.98Å; Y133-C137 PolarHBondContact O-SG 2.9Å; Y133-C137 PolarHBondContact OH-SG 2.91Å; F134-C137 HydrophobicContact CD1-CB 4.3Å; F134-C137 PolarHBondContact O-N 3.41Å; C137-R139 VanDerWaalsContact C-N 3.26Å; C137-R139 PolarHBondContact O-N 2.88Å; C137-A140 CarbonylContact O-C 3.53Å; C137-A140 PolarHBondContact O-N 3.46Å; C137-Q141 PolarHBondContact O-N 3.06Å; C137-K488 HydrophobicContact CB-CB 4.2Å; C137-L491 HydrophobicContact CB-CD1 4.07Å
138	I	98.5	Very high	97.5	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-68.3	-26.9	179.8	-166.3	66.3	0	0	0	112.6	V83 A87 F134 A135 S136 A140 A186 L491	V83-I138 HydrophobicContact CB-CG1 4.12Å; V83-I138 HydrophobicContact CG1-CD1 4.43Å; V83-I138 HydrophobicContact CG1-CG1 3.98Å; A87-I138 HydrophobicContact CB-CG2 3.94Å; F134-I138 WeakPolarHBondContact O-CG2 3.45Å; F134-I138 PolarHBondContact O-N 3.44Å; F134-I138 VanDerWaalsContact O-N 3.09Å; A135-I138 WeakPolarHBondContact O-CG2 3.39Å; S136-I138 PolarHBondContact O-N 3.35Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A186 HydrophobicContact CB-CB 4.13Å; I138-A186 WeakPolarHBondContact CD1-O 3.42Å; I138-A186 WeakPolarHBondContact CG1-O 3.48Å; I138-A186 HydrophobicContact CG2-CB 4.32Å; I138-L491 HydrophobicContact CD1-CD1 4.44Å; I138-L491 HydrophobicContact CD1-CD2 4.41Å
139	R	98.3	Very high	97.4	Very high	124 Å²	124	60 Å²	60	47%	0.468	34%	0.336	S	S	.	.	H	α-helix	trans	-74.7	-23.5	175.3	-67	-68.9	-60.4	136.7	1.5	112.9	Q84 A87 A135 S136 C137	Q84-R139 VanDerWaalsContact CG-NH1 3.26Å; A87-R139 HydrophobicContact CB-CG 3.65Å; A135-R139 VanDerWaalsContact O-CG 3.23Å; A135-R139 WeakPolarHBondContact O-CG 3.24Å; S136-R139 WeakPolarHBondContact O-CB 3.37Å; S136-R139 PolarHBondContact O-N 2.77Å; S136-R139 VanDerWaalsContact O-N 3.17Å; C137-R139 VanDerWaalsContact C-N 3.26Å; C137-R139 PolarHBondContact O-N 2.88Å
140	A	97.8	Very high	97.3	Very high	76 Å²	76	62.1 Å²	62.1	63%	0.628	36%	0.356	S	S	*	.	S	Bend	trans	-107.5	3.5	179.6	0	0	0	0	0	113.1	S136 C137 I138 E142	S136-A140 PolarHBondContact O-N 2.94Å; C137-A140 CarbonylContact O-C 3.53Å; C137-A140 PolarHBondContact O-N 3.46Å; I138-A140 VanDerWaalsContact C-N 3.31Å; A140-E142 PolarHBondContact O-N 3.2Å
141	Q	97.8	Very high	97.2	Very high	56 Å²	56	65.9 Å²	65.9	26%	0.262	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-72.4	125.4	177.6	-174.1	-179.1	40.6	0	0	109.2	C137 L491	C137-Q141 PolarHBondContact O-N 3.06Å; Q141-L491 HydrophobicContact CB-CD1 4.36Å; Q141-L491 HydrophobicContact CG-CD1 4.46Å
142	E	95.2	Very high	97.1	Very high	167 Å²	167	66.9 Å²	66.9	78%	0.78	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-103.7	147.3	175.7	-65.7	175.2	175.4	0	0	110.2	A140 H158	A140-E142 PolarHBondContact O-N 3.2Å; E142-H158 PolarHBondContact O-NE2 3.17Å; E142-H158 VanDerWaalsContact O-NE2 3.14Å
143	G	89.8	Confident	97.1	Very high	53 Å²	53	65.1 Å²	65.1	55%	0.546	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-87.7	167.3	163.2	0	0	0	0	0	110.6
144	G	93.6	Very high	97	Very high	35 Å²	35	64.1 Å²	64.1	36%	0.361	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.8	174.7	0	0	0	0	0	112	H156	G144-H156 WeakPolarHBondContact O-CB 3.18Å; G144-H156 PolarHBondContact O-N 3.11Å; G144-H156 PolarHBondContact O-ND1 3Å
145	I	96.3	Very high	97	Very high	125 Å²	125	67.1 Å²	67.1	64%	0.641	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	143.2	160	64.9	172.9	0	0	0	109.2	V153 A154 Y155	I145-V153 HydrophobicContact CB-CG1 4.39Å; I145-A154 CarbonylContact C-O 3.43Å; I145-A154 VanDerWaalsContact CA-O 3.29Å; I145-A154 WeakPolarHBondContact CA-O 3.45Å; I145-Y155 HydrophobicContact CG2-CD1 3.72Å; I145-Y155 HydrophobicContact CG2-CE1 4.2Å
146	S	97.6	Very high	96.9	Very high	60 Å²	60	69.9 Å²	69.9	42%	0.42	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114	168.8	-52	0	0	0	0	108.4	V148 V153 A154	S146-V148 PolarHBondContact O-N 2.93Å; S146-V153 WeakPolarHBondContact O-CA 3.43Å; S146-A154 PolarHBondContact N-O 2.89Å; S146-A154 PolarHBondContact O-N 2.69Å
147	E	97.3	Very high	96.8	Very high	157 Å²	157	72 Å²	72	73%	0.734	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	103.3	165.6	-172.1	178	153.7	0	0	107.3	D149	E147-D149 WeakPolarHBondContact CG-O 3.38Å
148	V	97	Very high	96.7	Very high	91 Å²	91	73.9 Å²	73.9	55%	0.552	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	-45.1	-177.9	180	0	0	0	0	109.1	S146 T152 L501	S146-V148 PolarHBondContact O-N 2.93Å; V148-T152 HydrophobicContact CB-CG2 4.13Å; V148-T152 WeakPolarHBondContact CB-O 3.42Å; V148-T152 HydrophobicContact CG2-CG2 4.35Å; V148-T152 PolarHBondContact N-O 3.07Å; V148-L501 HydrophobicContact CG2-CD1 4.17Å
149	D	96.4	Very high	96.7	Very high	76 Å²	76	76.2 Å²	76.2	41%	0.406	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	-174.5	170.5	60.3	47.2	0	0	0	109.6	E147 E151 T152	E147-D149 WeakPolarHBondContact CG-O 3.38Å; D149-E151 PolarHBondContact O-N 3.16Å; D149-E151 VanDerWaalsContact O-N 3.1Å; D149-E151 WeakPolarHBondContact OD1-CA 3.33Å; D149-E151 PolarHBondContact OD1-N 3.19Å; D149-T152 PolarHBondContact N-O 3.36Å; D149-T152 PolarHBondContact O-N 3.34Å; D149-T152 VanDerWaalsContact OD1-CB 3.3Å; D149-T152 WeakPolarHBondContact OD1-CB 3.5Å; D149-T152 PolarHBondContact OD1-N 3.42Å; D149-T152 PolarHBondContact OD1-OG1 3.39Å; D149-T152 VanDerWaalsContact OD1-OG1 3.09Å; D149-T152 PolarHBondContact OD2-OG1 3.33Å
150	S	96.2	Very high	96.7	Very high	113 Å²	113	71.7 Å²	71.7	79%	0.79	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.6	-176.4	57.3	0	0	0	0	115.1
151	E	96.6	Very high	96.7	Very high	80 Å²	80	69.9 Å²	69.9	37%	0.374	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-4.1	-178.7	-62	-173.6	153.5	0	0	112.4	D149 S503 Y504 S505	D149-E151 PolarHBondContact O-N 3.16Å; D149-E151 VanDerWaalsContact O-N 3.1Å; D149-E151 WeakPolarHBondContact OD1-CA 3.33Å; D149-E151 PolarHBondContact OD1-N 3.19Å; E151-S503 CarbonylContact O-C 3.35Å; E151-Y504 PolarHBondContact O-N 3.24Å; E151-S505 WeakPolarHBondContact OE2-CB 3.4Å; E151-S505 PolarHBondContact OE2-OG 2.95Å
152	T	97.7	Very high	96.8	Very high	23 Å²	23	67.8 Å²	67.8	14%	0.141	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.8	-173.6	-51.9	0	0	0	0	112.1	V148 D149 L501 V502	V148-T152 HydrophobicContact CB-CG2 4.13Å; V148-T152 WeakPolarHBondContact CB-O 3.42Å; V148-T152 HydrophobicContact CG2-CG2 4.35Å; V148-T152 PolarHBondContact N-O 3.07Å; D149-T152 PolarHBondContact N-O 3.36Å; D149-T152 PolarHBondContact O-N 3.34Å; D149-T152 VanDerWaalsContact OD1-CB 3.3Å; D149-T152 WeakPolarHBondContact OD1-CB 3.5Å; D149-T152 PolarHBondContact OD1-N 3.42Å; D149-T152 PolarHBondContact OD1-OG1 3.39Å; D149-T152 VanDerWaalsContact OD1-OG1 3.09Å; D149-T152 PolarHBondContact OD2-OG1 3.33Å; T152-L501 HydrophobicContact CG2-CD1 3.78Å; T152-L501 HydrophobicContact CG2-CG 4.22Å; T152-V502 WeakPolarHBondContact CA-O 3.45Å
153	V	98.4	Very high	97	Very high	25 Å²	25	60 Å²	60	15%	0.152	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.9	179.5	-177.6	0	0	0	0	110.6	I145 S146 Y155 V502 Y504	I145-V153 HydrophobicContact CB-CG1 4.39Å; S146-V153 WeakPolarHBondContact O-CA 3.43Å; V153-Y155 HydrophobicContact CB-CE2 4.18Å; V153-Y155 HydrophobicContact CG1-CD1 4.35Å; V153-Y155 HydrophobicContact CG1-CD2 4.41Å; V153-Y155 HydrophobicContact CG1-CE1 3.95Å; V153-Y155 HydrophobicContact CG1-CE2 4.03Å; V153-V502 PolarHBondContact N-O 2.87Å; V153-V502 PolarHBondContact O-N 3.21Å; V153-Y504 HydrophobicContact CB-CE2 4.42Å; V153-Y504 HydrophobicContact CG2-CE2 4.31Å
154	A	98.3	Very high	97.4	Very high	7 Å²	7	57.5 Å²	57.5	6%	0.058	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.7	170.3	0	0	0	0	0	110.5	I145 S146 H156 L501	I145-A154 CarbonylContact C-O 3.43Å; I145-A154 VanDerWaalsContact CA-O 3.29Å; I145-A154 WeakPolarHBondContact CA-O 3.45Å; S146-A154 PolarHBondContact N-O 2.89Å; S146-A154 PolarHBondContact O-N 2.69Å; A154-H156 PolarHBondContact O-ND1 3.12Å; A154-L501 HydrophobicContact CB-CD1 3.75Å
155	Y	97.7	Very high	97.6	Very high	64 Å²	64	55.9 Å²	55.9	25%	0.251	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.3	174.2	-57.8	-83.3	0	0	0	110.8	I145 V153 F157 C499 L500 V502 Y504	I145-Y155 HydrophobicContact CG2-CD1 3.72Å; I145-Y155 HydrophobicContact CG2-CE1 4.2Å; V153-Y155 HydrophobicContact CB-CE2 4.18Å; V153-Y155 HydrophobicContact CG1-CD1 4.35Å; V153-Y155 HydrophobicContact CG1-CD2 4.41Å; V153-Y155 HydrophobicContact CG1-CE1 3.95Å; V153-Y155 HydrophobicContact CG1-CE2 4.03Å; Y155-F157 VanDerWaalsContact CB-CE2 3.48Å; Y155-F157 HydrophobicContact CG-CE2 4.4Å; Y155-F157 HydrophobicContact CG-CZ 4.32Å; Y155-C499 CarbonylContact O-C 3.47Å; Y155-C499 VanDerWaalsContact O-CA 3.29Å; Y155-C499 WeakPolarHBondContact O-CA 3.14Å; Y155-L500 WeakPolarHBondContact CD2-O 3.2Å; Y155-L500 PolarHBondContact N-O 3.19Å; Y155-L500 PolarHBondContact O-N 3.39Å; Y155-V502 HydrophobicContact CD2-CG2 3.83Å; Y155-V502 HydrophobicContact CE2-CB 4.07Å; Y155-V502 HydrophobicContact CE2-CG2 3.73Å; Y155-Y504 PolarHBondContact OH-OH 3.14Å
156	H	97.3	Very high	97.8	Very high	57 Å²	57	49.9 Å²	49.9	26%	0.264	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.7	177.8	-59.4	83.2	0	0	0	110.3	G144 A154 T497 K498	G144-H156 WeakPolarHBondContact O-CB 3.18Å; G144-H156 PolarHBondContact O-N 3.11Å; G144-H156 PolarHBondContact O-ND1 3Å; A154-H156 PolarHBondContact O-ND1 3.12Å; H156-T497 HydrophobicContact CB-CG2 3.78Å; H156-K498 WeakPolarHBondContact CA-O 3.43Å
157	F	96	Very high	97.8	Very high	102 Å²	102	47.6 Å²	47.6	45%	0.447	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.5	178.5	-57.8	-82.2	0	0	0	110.9	Y155 T497 K498 L500	Y155-F157 VanDerWaalsContact CB-CE2 3.48Å; Y155-F157 HydrophobicContact CG-CE2 4.4Å; Y155-F157 HydrophobicContact CG-CZ 4.32Å; F157-T497 CarbonylContact O-C 3.56Å; F157-T497 WeakPolarHBondContact O-CA 3.48Å; F157-K498 HydrophobicContact CB-CB 4.46Å; F157-K498 PolarHBondContact N-O 3.4Å; F157-K498 PolarHBondContact O-N 2.95Å; F157-L500 HydrophobicContact CD2-CB 4.41Å; F157-L500 HydrophobicContact CE2-CB 3.9Å; F157-L500 HydrophobicContact CE2-CD2 4.1Å
158	H	97.6	Very high	97.9	Very high	56 Å²	56	40.3 Å²	40.3	26%	0.259	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.7	170.9	-60.2	-64.9	0	0	0	109.9	E142 Q495	E142-H158 PolarHBondContact O-NE2 3.17Å; E142-H158 VanDerWaalsContact O-NE2 3.14Å; H158-Q495 HydrophobicContact CB-CB 4.42Å
159	E	97.9	Very high	98	Very high	53 Å²	53	36.5 Å²	36.5	25%	0.248	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.6	179.8	-62.2	-179	155.4	0	0	110.3	Q495 Q496 K498	E159-Q495 CarbonylContact O-C 3.59Å; E159-Q495 WeakPolarHBondContact O-CA 3.49Å; E159-Q495 WeakPolarHBondContact O-CB 3.4Å; E159-Q496 HydrophobicContact CB-CG 3.97Å; E159-Q496 PolarHBondContact N-O 3.37Å; E159-Q496 PolarHBondContact O-N 2.97Å; E159-Q496 PolarHBondContact OE2-NE2 2.9Å; E159-Q496 VanDerWaalsContact OE2-NE2 3.13Å; E159-K498 WeakPolarHBondContact OE1-CD 3.5Å; E159-K498 WeakPolarHBondContact OE1-CE 3.2Å; E159-K498 IonicContact OE1-NZ 3.35Å; E159-K498 PolarHBondContact OE1-NZ 2.89Å; E159-K498 WeakPolarHBondContact OE2-CE 3.15Å; E159-K498 IonicContact OE2-NZ 2.72Å; E159-K498 PolarHBondContact OE2-NZ 3.3Å
160	P	98.6	Very high	98.1	Very high	30 Å²	30	35.1 Å²	35.1	20%	0.195	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	151.7	173.7	23	-30.2	0	0	0	111.7	A79 G162 A187 G188	A79-P160 HydrophobicContact CB-CG 3.49Å; A79-P160 VanDerWaalsContact CB-CG 3.49Å; P160-G162 VanDerWaalsContact C-N 3.32Å; P160-A187 WeakPolarHBondContact CB-O 3.41Å; P160-G188 WeakPolarHBondContact CB-O 3.36Å
161	L	98.6	Very high	98.2	Very high	38 Å²	38	30 Å²	30	20%	0.199	15%	0.147	C	C	.	.			trans	-71.3	-28.6	173.1	-59.8	177.1	0	0	0	112.4	V164 N189 A240 K241 P264 Y494 Q496	L161-V164 HydrophobicContact CB-CG1 4.47Å; L161-N189 WeakPolarHBondContact CA-OD1 3.14Å; L161-N189 PolarHBondContact N-OD1 3.36Å; L161-A240 HydrophobicContact CB-CB 3.86Å; L161-A240 VanDerWaalsContact O-CB 3.27Å; L161-A240 WeakPolarHBondContact O-CB 3.1Å; L161-K241 HydrophobicContact CD1-CB 3.84Å; L161-K241 HydrophobicContact CD1-CD 3.81Å; L161-K241 HydrophobicContact CD1-CG 4.46Å; L161-P264 HydrophobicContact CD1-CG 4.28Å; L161-Y494 PolarHBondContact N-O 3.16Å; L161-Q496 HydrophobicContact CD2-CB 4.19Å
162	G	98.7	Very high	98.3	Very high	12 Å²	12	26.7 Å²	26.7	12%	0.124	13%	0.132	C	C	.	.			trans	117	-110.3	178.7	0	0	0	0	0	112.1	P160 N189 C190	P160-G162 VanDerWaalsContact C-N 3.32Å; G162-N189 PolarHBondContact N-OD1 2.79Å; G162-N189 CarbonylContact O-C 3.56Å; G162-N189 WeakPolarHBondContact O-CA 3.41Å; G162-N189 VanDerWaalsContact O-CB 3.31Å; G162-N189 WeakPolarHBondContact O-CB 3.31Å; G162-C190 PolarHBondContact O-N 2.84Å
163	V	98.9	Very high	98.3	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.024	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.8	178.7	-177	0	0	0	0	109.6	L68 A71 K75 C190 V192 I239 A240	L68-V163 HydrophobicContact CD2-CG1 4.09Å; A71-V163 HydrophobicContact CB-CB 4.44Å; A71-V163 HydrophobicContact CB-CG1 3.68Å; A71-V163 HydrophobicContact CB-CG2 3.84Å; K75-V163 HydrophobicContact CB-CG2 4.05Å; K75-V163 HydrophobicContact CD-CG2 4.04Å; V163-C190 CarbonylContact C-O 3.5Å; V163-C190 WeakPolarHBondContact CA-O 3.04Å; V163-C190 HydrophobicContact CG2-CB 4.37Å; V163-V192 HydrophobicContact CG1-CG2 4.32Å; V163-I239 HydrophobicContact CG1-CG2 4.41Å; V163-I239 CarbonylContact O-C 3.52Å; V163-I239 WeakPolarHBondContact O-CA 3.45Å; V163-A240 PolarHBondContact O-N 2.9Å
164	V	98.9	Very high	98.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.3	-177.7	-53.9	0	0	0	0	111.5	L161 Q166 A184 N189 C190 V191 V192 K241 Y494	L161-V164 HydrophobicContact CB-CG1 4.47Å; V164-Q166 HydrophobicContact CG2-CG 4.49Å; V164-A184 HydrophobicContact CG2-CB 4.21Å; V164-N189 HydrophobicContact CG1-CB 4.16Å; V164-N189 HydrophobicContact CG2-CB 4.26Å; V164-C190 PolarHBondContact N-O 3.33Å; V164-V191 HydrophobicContact CG2-CG2 4.06Å; V164-V191 WeakPolarHBondContact O-CA 3.18Å; V164-V192 PolarHBondContact O-N 3.29Å; V164-K241 WeakPolarHBondContact CA-O 3.21Å; V164-K241 HydrophobicContact CB-CB 4.17Å; V164-K241 HydrophobicContact CG1-CB 3.79Å; V164-K241 HydrophobicContact CG1-CG 4.49Å; V164-Y494 HydrophobicContact CB-CE1 4.44Å; V164-Y494 HydrophobicContact CG1-CD1 4.27Å; V164-Y494 HydrophobicContact CG2-CD1 4.31Å; V164-Y494 HydrophobicContact CG2-CE1 3.99Å
165	G	98.9	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.9	173.1	0	0	0	0	0	111.3	V192 K241 V242 A243	G165-V192 WeakPolarHBondContact CA-O 3.26Å; G165-K241 PolarHBondContact N-O 2.94Å; G165-V242 CarbonylContact O-C 3.57Å; G165-V242 WeakPolarHBondContact O-CA 3.37Å; G165-A243 PolarHBondContact O-N 3.38Å
166	Q	98.8	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.4	177.8	-63.9	-176.2	-14.9	0	0	109.8	V164 K180 V191 V192 L193 K194 A243 Y494	V164-Q166 HydrophobicContact CG2-CG 4.49Å; Q166-K180 HydrophobicContact CB-CB 4.48Å; Q166-K180 HydrophobicContact CB-CD 4.23Å; Q166-K180 VanDerWaalsContact CD-CB 3.43Å; Q166-K180 HydrophobicContact CG-CB 4.16Å; Q166-K180 HydrophobicContact CG-CD 4.47Å; Q166-K180 PolarHBondContact NE2-O 2.93Å; Q166-V191 HydrophobicContact CB-CG1 4.3Å; Q166-V191 HydrophobicContact CG-CG1 4.03Å; Q166-V192 PolarHBondContact N-O 3.08Å; Q166-L193 HydrophobicContact CB-CD1 3.64Å; Q166-L193 CarbonylContact O-C 3.58Å; Q166-L193 WeakPolarHBondContact O-CA 3.24Å; Q166-K194 PolarHBondContact O-N 2.81Å; Q166-A243 WeakPolarHBondContact CA-O 3.41Å; Q166-A243 HydrophobicContact CG-CB 4.38Å; Q166-Y494 PolarHBondContact NE2-OH 2.91Å; Q166-Y494 VanDerWaalsContact NE2-OH 3.08Å
167	I	98.8	Very high	98.5	Very high	11 Å²	11	18.8 Å²	18.8	6%	0.056	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.2	179.3	-58.2	169.1	0	0	0	107.3	K194 V242 A243 F244 T245 I254	I167-K194 HydrophobicContact CG1-CB 4.23Å; I167-K194 HydrophobicContact CG2-CD 4.03Å; I167-V242 HydrophobicContact CD1-CG2 4.39Å; I167-A243 PolarHBondContact N-O 3.23Å; I167-F244 HydrophobicContact CB-CD2 3.85Å; I167-F244 HydrophobicContact CG2-CD2 3.69Å; I167-F244 HydrophobicContact CG2-CE2 3.97Å; I167-F244 WeakPolarHBondContact O-CA 3.23Å; I167-T245 PolarHBondContact O-N 2.82Å; I167-I254 HydrophobicContact CD1-CD1 3.8Å
168	I	98.7	Very high	98.6	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.072	C	C	.	.			trans	-117.3	152.6	-172.1	58.7	170.2	0	0	0	111.9	P173 M176 A177 K180 L193 K194 P195 A196 V203	I168-P173 WeakPolarHBondContact CD1-O 3.42Å; I168-M176 HydrophobicContact CB-CB 4.23Å; I168-M176 HydrophobicContact CG2-CB 4.19Å; I168-A177 HydrophobicContact CD1-CB 3.74Å; I168-K180 HydrophobicContact CG2-CD 3.8Å; I168-L193 HydrophobicContact CD1-CD1 4.14Å; I168-L193 HydrophobicContact CD1-CD2 4.41Å; I168-L193 HydrophobicContact CG1-CD1 4.18Å; I168-L193 HydrophobicContact CG2-CD1 3.89Å; I168-K194 PolarHBondContact N-O 3.21Å; I168-P195 HydrophobicContact CD1-CB 4.42Å; I168-A196 PolarHBondContact O-N 2.88Å; I168-V203 HydrophobicContact CD1-CG2 3.97Å
169	P	98.3	Very high	98.6	Very high	12 Å²	12	11.5 Å²	11.5	8%	0.078	6%	0.06	C	C	.	.			trans	-82.9	177.4	-178.6	38.5	-41.6	0	0	0	110.6	N171 M176 T245	P169-N171 WeakPolarHBondContact CB-OD1 3.46Å; P169-N171 WeakPolarHBondContact CG-OD1 3.29Å; P169-M176 HydrophobicContact CG-CB 4.32Å; P169-M176 HydrophobicContact CG-CG 3.77Å; P169-T245 HydrophobicContact CB-CG2 4.5Å; P169-T245 WeakPolarHBondContact CD-O 3.25Å; P169-T245 HydrophobicContact CG-CG2 3.69Å
170	W	98.4	Very high	98.7	Very high	47 Å²	47	9 Å²	9	18%	0.178	5%	0.049	C	C	.	.	S	Bend	trans	-91	-13.2	-178.2	48.9	-102.6	0	0	0	114.2	N112 A196 L198 T199 E305 V350 Q354 F410	N112-W170 PolarHBondContact ND2-O 3.44Å; W170-A196 HydrophobicContact CB-CB 3.58Å; W170-A196 HydrophobicContact CG-CB 4.42Å; W170-L198 HydrophobicContact CB-CB 3.94Å; W170-L198 HydrophobicContact CD2-CD1 4.48Å; W170-L198 HydrophobicContact CG-CB 4.41Å; W170-L198 HydrophobicContact CG-CD1 4.1Å; W170-T199 WeakPolarHBondContact CA-OG1 3.5Å; W170-T199 HydrophobicContact CB-CG2 4.03Å; W170-T199 WeakPolarHBondContact CB-OG1 3.41Å; W170-T199 VanDerWaalsContact O-CG2 3.24Å; W170-T199 WeakPolarHBondContact O-CG2 3.27Å; W170-T199 PolarHBondContact O-OG1 3.43Å; W170-E305 HydrophobicContact CH2-CB 3.8Å; W170-E305 HydrophobicContact CH2-CG 3.75Å; W170-E305 HydrophobicContact CZ3-CB 3.67Å; W170-E305 HydrophobicContact CZ3-CG 3.88Å; W170-E305 VanDerWaalsContact CZ3-OE2 3.32Å; W170-E305 WeakPolarHBondContact CZ3-OE2 3.37Å; W170-V350 HydrophobicContact CB-CG2 4.5Å; W170-V350 HydrophobicContact CD2-CB 4.38Å; W170-V350 HydrophobicContact CD2-CG1 3.86Å; W170-V350 HydrophobicContact CD2-CG2 4.22Å; W170-V350 HydrophobicContact CE3-CB 3.64Å; W170-V350 HydrophobicContact CE3-CG1 3.5Å; W170-V350 HydrophobicContact CE3-CG2 3.66Å; W170-V350 HydrophobicContact CH2-CB 4.23Å; W170-V350 HydrophobicContact CH2-CG1 3.49Å; W170-V350 VanDerWaalsContact CH2-CG1 3.49Å; W170-V350 HydrophobicContact CZ2-CG1 3.9Å; W170-V350 HydrophobicContact CZ3-CB 3.58Å; W170-V350 HydrophobicContact CZ3-CG1 3.34Å; W170-V350 HydrophobicContact CZ3-CG2 4.15Å; W170-Q354 HydrophobicContact CH2-CG 4.24Å; W170-F410 AromaticContact CH2-CD1 3.31Å; W170-F410 HydrophobicContact CH2-CD1 3.31Å; W170-F410 AromaticContact CH2-CE1 3.24Å; W170-F410 HydrophobicContact CH2-CE1 3.24Å; W170-F410 AromaticContact CZ2-CD1 3.52Å; W170-F410 HydrophobicContact CZ2-CD1 3.52Å; W170-F410 AromaticContact CZ2-CE1 3.44Å; W170-F410 HydrophobicContact CZ2-CE1 3.44Å; W170-F410 VanDerWaalsContact CZ2-CE1 3.44Å; W170-F410 HydrophobicContact CZ3-CD1 4.27Å; W170-F410 AromaticContact CZ3-CE1 3.83Å; W170-F410 HydrophobicContact CZ3-CE1 3.83Å
171	N	98.5	Very high	98.7	Very high	5 Å²	5	7.7 Å²	7.7	3%	0.027	4%	0.04	C	C	.	.	S	Bend	trans	-84.1	-25.6	-167.8	67.7	-39.1	0	0	0	114.1	K114 P169 N302 E305 F410	K114-N171 WeakPolarHBondContact CE-O 3.4Å; K114-N171 PolarHBondContact NZ-O 3.11Å; P169-N171 WeakPolarHBondContact CB-OD1 3.46Å; P169-N171 WeakPolarHBondContact CG-OD1 3.29Å; N171-N302 PolarHBondContact O-ND2 3.07Å; N171-E305 VanDerWaalsContact CB-O 3.28Å; N171-E305 WeakPolarHBondContact CB-O 3.41Å; N171-E305 PolarHBondContact ND2-O 3.02Å; N171-F410 HydrophobicContact CB-CE1 3.87Å; N171-F410 HydrophobicContact CB-CZ 4.01Å; N171-F410 VanDerWaalsContact ND2-CZ 3.34Å; N171-F410 WeakPolarHBondContact ND2-CZ 3.44Å
172	F	98.5	Very high	98.7	Very high	10 Å²	10	5.9 Å²	5.9	4%	0.044	3%	0.03	C	C	.	.	S	Bend	trans	-142.7	63.3	173.9	-67.7	-83.6	0	0	0	109.4	K114 D123 L174 L175 M176 F301 N302 V306	K114-F172 VanDerWaalsContact NZ-CE1 3.31Å; D123-F172 WeakPolarHBondContact OD1-CD1 3.37Å; D123-F172 WeakPolarHBondContact OD2-CD1 3.26Å; F172-L174 PolarHBondContact O-N 3.42Å; F172-L175 HydrophobicContact CB-CB 4.18Å; F172-L175 HydrophobicContact CD1-CD2 4.31Å; F172-L175 PolarHBondContact O-N 3.21Å; F172-M176 HydrophobicContact CB-CE 4.14Å; F172-M176 HydrophobicContact CB-CG 3.98Å; F172-M176 VanDerWaalsContact O-CB 3.31Å; F172-M176 WeakPolarHBondContact O-CB 3.2Å; F172-M176 VanDerWaalsContact O-CG 3.24Å; F172-M176 WeakPolarHBondContact O-CG 3.48Å; F172-M176 PolarHBondContact O-N 3.17Å; F172-F301 HydrophobicContact CE1-CE1 4.12Å; F172-F301 HydrophobicContact CE1-CZ 4.33Å; F172-F301 AromaticContact CZ-CE1 3.86Å; F172-F301 HydrophobicContact CZ-CE1 3.86Å; F172-F301 HydrophobicContact CZ-CZ 4.5Å; F172-N302 HydrophobicContact CE1-CB 4.5Å; F172-N302 HydrophobicContact CZ-CB 3.98Å; F172-V306 HydrophobicContact CE2-CB 4.29Å; F172-V306 HydrophobicContact CE2-CG1 3.98Å; F172-V306 HydrophobicContact CE2-CG2 3.95Å; F172-V306 HydrophobicContact CZ-CG1 4.26Å; F172-V306 HydrophobicContact CZ-CG2 3.84Å
173	P	98.7	Very high	98.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63.4	-48.9	-162.8	24	-31.2	0	0	0	112.6	E108 I168 A177 T199	E108-P173 VanDerWaalsContact OE1-CG 3.31Å; E108-P173 WeakPolarHBondContact OE1-CG 3.23Å; E108-P173 WeakPolarHBondContact OE2-CD 2.88Å; E108-P173 WeakPolarHBondContact OE2-CG 3.32Å; I168-P173 WeakPolarHBondContact CD1-O 3.42Å; P173-A177 WeakPolarHBondContact O-CB 3.39Å; P173-A177 PolarHBondContact O-N 3.41Å; P173-T199 WeakPolarHBondContact CB-O 3.21Å; P173-T199 WeakPolarHBondContact CB-OG1 3.41Å; P173-T199 WeakPolarHBondContact CG-OG1 3.44Å
174	L	98.7	Very high	98.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-67.6	-41.2	178.2	-174.1	68	0	0	0	112.2	M97 L104 E108 V124 A127 F172 A177 S178 L206	M97-L174 HydrophobicContact CE-CD1 4.38Å; M97-L174 HydrophobicContact CE-CD2 4.21Å; M97-L174 HydrophobicContact CE-CG 4.33Å; L104-L174 HydrophobicContact CB-CD2 4.15Å; L104-L174 HydrophobicContact CD1-CD2 4.2Å; L104-L174 HydrophobicContact CD2-CD2 4.27Å; L104-L174 HydrophobicContact CG-CD2 4.45Å; E108-L174 HydrophobicContact CG-CB 4.47Å; E108-L174 WeakPolarHBondContact OE1-CA 3.44Å; E108-L174 WeakPolarHBondContact OE1-CB 3.31Å; E108-L174 PolarHBondContact OE1-N 3.41Å; V124-L174 HydrophobicContact CG1-CD2 4.47Å; V124-L174 HydrophobicContact CG2-CD2 4.01Å; A127-L174 HydrophobicContact CB-CD2 4.44Å; A127-L174 HydrophobicContact CB-CG 4.24Å; F172-L174 PolarHBondContact O-N 3.42Å; L174-A177 PolarHBondContact O-N 3.49Å; L174-S178 WeakPolarHBondContact O-CB 3.34Å; L174-S178 PolarHBondContact O-N 3.13Å; L174-S178 PolarHBondContact O-OG 2.96Å; L174-L206 HydrophobicContact CD1-CB 3.89Å; L174-L206 HydrophobicContact CD1-CD1 4.33Å; L174-L206 HydrophobicContact CD1-CD2 3.71Å; L174-L206 HydrophobicContact CD1-CG 4.17Å
175	L	98.7	Very high	98.7	Very high	3 Å²	3	5.3 Å²	5.3	2%	0.016	2%	0.024	C	C	.	.	H	α-helix	trans	-67.2	-45.3	-178.7	-179.7	61.2	0	0	0	111.4	L126 A127 F172 S178 W179	L126-L175 HydrophobicContact CB-CD1 3.54Å; L126-L175 HydrophobicContact CB-CD2 4.34Å; L126-L175 HydrophobicContact CD1-CD2 4.19Å; A127-L175 HydrophobicContact CB-CD1 4.18Å; F172-L175 HydrophobicContact CB-CB 4.18Å; F172-L175 HydrophobicContact CD1-CD2 4.31Å; F172-L175 PolarHBondContact O-N 3.21Å; L175-S178 WeakPolarHBondContact O-CB 3.08Å; L175-S178 PolarHBondContact O-N 3.3Å; L175-S178 VanDerWaalsContact O-N 3.12Å; L175-W179 VanDerWaalsContact CD1-NE1 3.27Å; L175-W179 HydrophobicContact CD2-CZ2 4.25Å; L175-W179 HydrophobicContact CG-CZ2 4.39Å; L175-W179 PolarHBondContact O-N 3.38Å
176	M	98.7	Very high	98.7	Very high	8 Å²	8	5.3 Å²	5.3	4%	0.039	2%	0.024	C	C	.	.	H	α-helix	trans	-68.8	-34.4	176	-64.3	-57.7	97.5	0	0	112.1	I168 P169 F172 S178 W179 K180 T245	I168-M176 HydrophobicContact CB-CB 4.23Å; I168-M176 HydrophobicContact CG2-CB 4.19Å; P169-M176 HydrophobicContact CG-CB 4.32Å; P169-M176 HydrophobicContact CG-CG 3.77Å; F172-M176 HydrophobicContact CB-CE 4.14Å; F172-M176 HydrophobicContact CB-CG 3.98Å; F172-M176 VanDerWaalsContact O-CB 3.31Å; F172-M176 WeakPolarHBondContact O-CB 3.2Å; F172-M176 VanDerWaalsContact O-CG 3.24Å; F172-M176 WeakPolarHBondContact O-CG 3.48Å; F172-M176 PolarHBondContact O-N 3.17Å; M176-S178 VanDerWaalsContact C-N 3.26Å; M176-S178 PolarHBondContact O-N 3.32Å; M176-W179 HydrophobicContact CE-CD2 3.35Å; M176-W179 HydrophobicContact CE-CE3 3.27Å; M176-W179 HydrophobicContact CE-CG 4.06Å; M176-W179 HydrophobicContact CE-CH2 3.68Å; M176-W179 HydrophobicContact CE-CZ2 3.71Å; M176-W179 HydrophobicContact CE-CZ3 3.46Å; M176-W179 VanDerWaalsContact CE-CZ3 3.46Å; M176-W179 PolarHBondContact O-N 2.96Å; M176-W179 HydrophobicContact SD-CD2 4.13Å; M176-W179 HydrophobicContact SD-CE3 3.58Å; M176-W179 VanDerWaalsContact SD-CE3 3.58Å; M176-W179 HydrophobicContact SD-CZ3 3.88Å; M176-K180 WeakPolarHBondContact O-CG 3.12Å; M176-K180 PolarHBondContact O-N 3.02Å; M176-T245 HydrophobicContact SD-CG2 4.2Å
177	A	98.8	Very high	98.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-57.7	-45.1	169	0	0	0	0	0	110.1	I168 P173 L174 K180 M181 L193 V203	I168-A177 HydrophobicContact CD1-CB 3.74Å; P173-A177 WeakPolarHBondContact O-CB 3.39Å; P173-A177 PolarHBondContact O-N 3.41Å; L174-A177 PolarHBondContact O-N 3.49Å; A177-K180 PolarHBondContact O-N 3.31Å; A177-M181 HydrophobicContact CB-CE 3.69Å; A177-M181 VanDerWaalsContact O-CB 3.26Å; A177-M181 WeakPolarHBondContact O-CB 3.47Å; A177-M181 VanDerWaalsContact O-CG 3.29Å; A177-M181 WeakPolarHBondContact O-CG 3.25Å; A177-M181 PolarHBondContact O-N 3.39Å; A177-L193 HydrophobicContact CB-CD2 4.1Å; A177-V203 HydrophobicContact CB-CG2 3.95Å
178	S	98.8	Very high	98.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-69	-40.8	-178.8	-55.5	0	0	0	0	112.6	A127 F131 L174 L175 M176 K180 A182	A127-S178 WeakPolarHBondContact CB-OG 3.49Å; F131-S178 WeakPolarHBondContact CE2-OG 3.41Å; L174-S178 WeakPolarHBondContact O-CB 3.34Å; L174-S178 PolarHBondContact O-N 3.13Å; L174-S178 PolarHBondContact O-OG 2.96Å; L175-S178 WeakPolarHBondContact O-CB 3.08Å; L175-S178 PolarHBondContact O-N 3.3Å; L175-S178 VanDerWaalsContact O-N 3.12Å; M176-S178 VanDerWaalsContact C-N 3.26Å; M176-S178 PolarHBondContact O-N 3.32Å; S178-K180 PolarHBondContact O-N 3.15Å; S178-A182 WeakPolarHBondContact O-CB 3.24Å; S178-A182 PolarHBondContact O-N 3.19Å
179	W	98.4	Very high	98.7	Very high	5 Å²	5	4.6 Å²	4.6	2%	0.019	2%	0.021	C	C	.	.	H	α-helix	trans	-56.8	-31.9	175	-75.8	13.5	0	0	0	112.6	H130 L175 M176 P183 Y468 F474 E485 T486	H130-W179 AromaticContact CD2-CD1 3.45Å; H130-W179 VanDerWaalsContact CD2-CD1 3.45Å; H130-W179 AromaticContact CD2-NE1 3.73Å; H130-W179 AromaticContact CE1-CD1 3.71Å; H130-W179 AromaticContact CE1-NE1 3.18Å; H130-W179 PolarHBondContact CE1-NE1 3.17Å; H130-W179 AromaticContact CG-CD1 3.63Å; H130-W179 AromaticContact CG-NE1 3.91Å; H130-W179 AromaticContact ND1-CD1 3.76Å; H130-W179 AromaticContact ND1-NE1 3.57Å; H130-W179 AromaticContact NE2-CD1 3.52Å; H130-W179 AromaticContact NE2-NE1 3.28Å; H130-W179 PolarHBondContact NE2-NE1 3.34Å; L175-W179 VanDerWaalsContact CD1-NE1 3.27Å; L175-W179 HydrophobicContact CD2-CZ2 4.25Å; L175-W179 HydrophobicContact CG-CZ2 4.39Å; L175-W179 PolarHBondContact O-N 3.38Å; M176-W179 HydrophobicContact CE-CD2 3.35Å; M176-W179 HydrophobicContact CE-CE3 3.27Å; M176-W179 HydrophobicContact CE-CG 4.06Å; M176-W179 HydrophobicContact CE-CH2 3.68Å; M176-W179 HydrophobicContact CE-CZ2 3.71Å; M176-W179 HydrophobicContact CE-CZ3 3.46Å; M176-W179 VanDerWaalsContact CE-CZ3 3.46Å; M176-W179 PolarHBondContact O-N 2.96Å; M176-W179 HydrophobicContact SD-CD2 4.13Å; M176-W179 HydrophobicContact SD-CE3 3.58Å; M176-W179 VanDerWaalsContact SD-CE3 3.58Å; M176-W179 HydrophobicContact SD-CZ3 3.88Å; W179-P183 WeakPolarHBondContact O-CD 3Å; W179-P183 WeakPolarHBondContact O-CG 3.06Å; W179-Y468 AromaticContact CH2-CD1 3.99Å; W179-Y468 HydrophobicContact CH2-CD1 3.99Å; W179-Y468 HydrophobicContact CH2-CG 4.45Å; W179-Y468 HydrophobicContact CZ2-CD1 4.31Å; W179-Y468 HydrophobicContact CZ2-CG 4.33Å; W179-F474 HydrophobicContact CE3-CD1 4.46Å; W179-F474 HydrophobicContact CH2-CD1 4.1Å; W179-F474 HydrophobicContact CH2-CD2 4.26Å; W179-F474 HydrophobicContact CH2-CE1 4.31Å; W179-F474 HydrophobicContact CH2-CE2 4.46Å; W179-F474 HydrophobicContact CH2-CG 4.07Å; W179-F474 HydrophobicContact CH2-CZ 4.47Å; W179-F474 HydrophobicContact CZ3-CB 4.46Å; W179-F474 AromaticContact CZ3-CD1 3.52Å; W179-F474 HydrophobicContact CZ3-CD1 3.52Å; W179-F474 HydrophobicContact CZ3-CD2 4.49Å; W179-F474 AromaticContact CZ3-CE1 3.77Å; W179-F474 HydrophobicContact CZ3-CE1 3.77Å; W179-F474 AromaticContact CZ3-CG 3.91Å; W179-F474 HydrophobicContact CZ3-CG 3.91Å; W179-F474 HydrophobicContact CZ3-CZ 4.35Å; W179-E485 HydrophobicContact CE3-CB 4.17Å; W179-E485 VanDerWaalsContact CE3-OE2 3.3Å; W179-T486 HydrophobicContact CD2-CG2 3.38Å; W179-T486 HydrophobicContact CE3-CG2 3.72Å; W179-T486 HydrophobicContact CG-CG2 3.94Å; W179-T486 HydrophobicContact CH2-CG2 3.86Å; W179-T486 HydrophobicContact CZ2-CG2 3.54Å; W179-T486 HydrophobicContact CZ3-CG2 3.94Å
180	K	98.6	Very high	98.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-94	-45.8	179.5	-61.3	-172.9	-171.3	-58.3	0	112.9	Q166 I168 M176 A177 S178 A184 A243 T245 E485	Q166-K180 HydrophobicContact CB-CB 4.48Å; Q166-K180 HydrophobicContact CB-CD 4.23Å; Q166-K180 VanDerWaalsContact CD-CB 3.43Å; Q166-K180 HydrophobicContact CG-CB 4.16Å; Q166-K180 HydrophobicContact CG-CD 4.47Å; Q166-K180 PolarHBondContact NE2-O 2.93Å; I168-K180 HydrophobicContact CG2-CD 3.8Å; M176-K180 WeakPolarHBondContact O-CG 3.12Å; M176-K180 PolarHBondContact O-N 3.02Å; A177-K180 PolarHBondContact O-N 3.31Å; S178-K180 PolarHBondContact O-N 3.15Å; K180-A184 WeakPolarHBondContact O-CB 3.41Å; K180-A184 PolarHBondContact O-N 2.73Å; K180-A243 HydrophobicContact CD-CB 4.04Å; K180-T245 WeakPolarHBondContact CE-OG1 3.07Å; K180-T245 PolarHBondContact NZ-OG1 3.28Å; K180-E485 IonicContact NZ-OE1 2.64Å; K180-E485 PolarHBondContact NZ-OE1 3.15Å; K180-E485 IonicContact NZ-OE2 2.87Å
181	M	98.8	Very high	98.8	Very high	3 Å²	3	1.8 Å²	1.8	2%	0.015	1%	0.009	C	C	.	.	H	α-helix	trans	-67.7	-45.7	-176.5	-73.4	-170.6	-62.2	0	0	111.9	F131 A177 A184 L185 V191 L193 L206 V219	F131-M181 HydrophobicContact CZ-CB 4.33Å; F131-M181 HydrophobicContact CZ-CE 4.29Å; A177-M181 HydrophobicContact CB-CE 3.69Å; A177-M181 VanDerWaalsContact O-CB 3.26Å; A177-M181 WeakPolarHBondContact O-CB 3.47Å; A177-M181 VanDerWaalsContact O-CG 3.29Å; A177-M181 WeakPolarHBondContact O-CG 3.25Å; A177-M181 PolarHBondContact O-N 3.39Å; M181-A184 PolarHBondContact O-N 2.98Å; M181-L185 HydrophobicContact CB-CD1 4.35Å; M181-L185 WeakPolarHBondContact O-CB 3.36Å; M181-L185 VanDerWaalsContact O-CG 3.23Å; M181-L185 WeakPolarHBondContact O-CG 3.13Å; M181-L185 PolarHBondContact O-N 2.74Å; M181-V191 HydrophobicContact CG-CG1 4.38Å; M181-L193 HydrophobicContact CE-CD2 4.3Å; M181-L193 HydrophobicContact SD-CD2 3.87Å; M181-L206 HydrophobicContact CE-CD2 3.66Å; M181-V219 HydrophobicContact SD-CG1 4.04Å
182	A	98.9	Very high	98.8	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-55.9	-53.6	-175.2	0	0	0	0	0	113.2	F131 F134 S178 A186	F131-A182 HydrophobicContact CD1-CB 3.74Å; F131-A182 HydrophobicContact CE1-CB 3.95Å; F131-A182 HydrophobicContact CG-CB 4.17Å; F134-A182 HydrophobicContact CB-CB 4.2Å; F134-A182 HydrophobicContact CD2-CB 3.88Å; F134-A182 HydrophobicContact CG-CB 4.4Å; S178-A182 WeakPolarHBondContact O-CB 3.24Å; S178-A182 PolarHBondContact O-N 3.19Å; A182-A186 VanDerWaalsContact O-CB 3.25Å; A182-A186 WeakPolarHBondContact O-CB 3.49Å; A182-A186 PolarHBondContact O-N 2.86Å
183	P	98.8	Very high	98.8	Very high	0 Å²	0	1.1 Å²	1.1	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-67.2	-36.4	176.5	23.7	-32.4	0	0	0	113.5	F134 W179 A186 A187 M490 Y494	F134-P183 HydrophobicContact CD1-CB 3.77Å; F134-P183 HydrophobicContact CD2-CB 4.14Å; F134-P183 HydrophobicContact CD2-CG 4.28Å; F134-P183 HydrophobicContact CE1-CB 3.61Å; F134-P183 HydrophobicContact CE1-CG 4.43Å; F134-P183 HydrophobicContact CE2-CB 3.98Å; F134-P183 HydrophobicContact CE2-CG 3.96Å; F134-P183 HydrophobicContact CG-CB 4.04Å; F134-P183 HydrophobicContact CZ-CB 3.72Å; F134-P183 HydrophobicContact CZ-CG 4.05Å; W179-P183 WeakPolarHBondContact O-CD 3Å; W179-P183 WeakPolarHBondContact O-CG 3.06Å; P183-A186 PolarHBondContact O-N 3.32Å; P183-A187 VanDerWaalsContact O-CB 3.23Å; P183-A187 WeakPolarHBondContact O-CB 3.47Å; P183-A187 PolarHBondContact O-N 2.73Å; P183-M490 HydrophobicContact CB-CB 4.19Å; P183-M490 HydrophobicContact CB-CG 3.85Å; P183-M490 HydrophobicContact CG-CB 4.47Å; P183-M490 HydrophobicContact CG-CG 3.77Å; P183-Y494 HydrophobicContact CB-CD2 3.86Å; P183-Y494 HydrophobicContact CB-CE2 3.97Å; P183-Y494 HydrophobicContact CG-CD2 4.13Å; P183-Y494 HydrophobicContact CG-CE2 3.7Å
184	A	98.9	Very high	98.8	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-62.9	-47	179.5	0	0	0	0	0	111.7	V164 K180 M181 A187 G188 N189 V191 Y494	V164-A184 HydrophobicContact CG2-CB 4.21Å; K180-A184 WeakPolarHBondContact O-CB 3.41Å; K180-A184 PolarHBondContact O-N 2.73Å; M181-A184 PolarHBondContact O-N 2.98Å; A184-A187 PolarHBondContact O-N 2.92Å; A184-G188 PolarHBondContact O-N 3.46Å; A184-N189 HydrophobicContact CB-CB 4.43Å; A184-N189 WeakPolarHBondContact O-CB 3.22Å; A184-N189 PolarHBondContact O-N 2.94Å; A184-N189 PolarHBondContact O-ND2 3.32Å; A184-N189 VanDerWaalsContact O-ND2 3.11Å; A184-V191 HydrophobicContact CB-CG2 3.88Å; A184-Y494 HydrophobicContact CB-CD1 3.79Å; A184-Y494 HydrophobicContact CB-CD2 4.29Å; A184-Y494 HydrophobicContact CB-CE1 3.7Å; A184-Y494 HydrophobicContact CB-CE2 4.17Å; A184-Y494 HydrophobicContact CB-CG 4.1Å
185	L	99	Very high	98.8	Very high	3 Å²	3	1.7 Å²	1.7	2%	0.016	1%	0.008	C	C	.	.	H	α-helix	trans	-66.3	-43	177.1	-66.9	175.9	0	0	0	111.4	W78 L90 F131 M181 A187 G188 V191 L214 V218 V219	W78-L185 HydrophobicContact CZ2-CB 4.48Å; W78-L185 HydrophobicContact CZ2-CD2 4.41Å; L90-L185 HydrophobicContact CD2-CB 3.78Å; L90-L185 HydrophobicContact CD2-CD1 4.1Å; F131-L185 HydrophobicContact CE1-CD1 4.42Å; M181-L185 HydrophobicContact CB-CD1 4.35Å; M181-L185 WeakPolarHBondContact O-CB 3.36Å; M181-L185 VanDerWaalsContact O-CG 3.23Å; M181-L185 WeakPolarHBondContact O-CG 3.13Å; M181-L185 PolarHBondContact O-N 2.74Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-A187 PolarHBondContact O-N 3.12Å; L185-G188 PolarHBondContact O-N 3.44Å; L185-V191 HydrophobicContact CD2-CG2 4.47Å; L185-L214 HydrophobicContact CD1-CD2 4.37Å; L185-V218 HydrophobicContact CD2-CG1 3.44Å; L185-V218 VanDerWaalsContact CD2-CG1 3.44Å; L185-V219 HydrophobicContact CD1-CG2 4.05Å; L185-V219 HydrophobicContact CD2-CG2 3.8Å; L185-V219 HydrophobicContact CG-CG2 4.43Å
186	A	98.9	Very high	98.8	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-57.2	-46	175	0	0	0	0	0	111.4	R86 L90 F134 I138 A182 P183 G188 L491	R86-A186 VanDerWaalsContact CZ-O 3.3Å; R86-A186 PolarHBondContact NE-O 3.07Å; R86-A186 PolarHBondContact NH2-O 2.84Å; L90-A186 HydrophobicContact CD1-CB 3.64Å; F134-A186 HydrophobicContact CB-CB 4.07Å; I138-A186 HydrophobicContact CB-CB 4.13Å; I138-A186 WeakPolarHBondContact CD1-O 3.42Å; I138-A186 WeakPolarHBondContact CG1-O 3.48Å; I138-A186 HydrophobicContact CG2-CB 4.32Å; A182-A186 VanDerWaalsContact O-CB 3.25Å; A182-A186 WeakPolarHBondContact O-CB 3.49Å; A182-A186 PolarHBondContact O-N 2.86Å; P183-A186 PolarHBondContact O-N 3.32Å; A186-G188 PolarHBondContact O-N 3.5Å; A186-L491 HydrophobicContact CB-CD2 3.98Å
187	A	98.7	Very high	98.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-67.2	-14.1	177.7	0	0	0	0	0	114.2	P160 P183 A184 L185 N189 L491 Q495	P160-A187 WeakPolarHBondContact CB-O 3.41Å; P183-A187 VanDerWaalsContact O-CB 3.23Å; P183-A187 WeakPolarHBondContact O-CB 3.47Å; P183-A187 PolarHBondContact O-N 2.73Å; A184-A187 PolarHBondContact O-N 2.92Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-A187 PolarHBondContact O-N 3.12Å; A187-N189 VanDerWaalsContact CB-ND2 3.32Å; A187-N189 WeakPolarHBondContact CB-ND2 3.39Å; A187-L491 HydrophobicContact CB-CD2 4.37Å; A187-Q495 HydrophobicContact CB-CG 3.64Å
188	G	98.8	Very high	98.7	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.01	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	22.7	178.3	0	0	0	0	0	114.7	W78 P160 A184 L185 A186	W78-G188 VanDerWaalsContact CD1-C 3.44Å; P160-G188 WeakPolarHBondContact CB-O 3.36Å; A184-G188 PolarHBondContact O-N 3.46Å; L185-G188 PolarHBondContact O-N 3.44Å; A186-G188 PolarHBondContact O-N 3.5Å
189	N	98.9	Very high	98.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.044	C	C	.	.			trans	-95.9	150.5	-179.9	-58.1	-90.5	0	0	0	111.7	W78 L161 G162 V164 A184 A187 Y494	W78-N189 VanDerWaalsContact CD1-O 3.31Å; W78-N189 PolarHBondContact NE1-O 3.41Å; L161-N189 WeakPolarHBondContact CA-OD1 3.14Å; L161-N189 PolarHBondContact N-OD1 3.36Å; G162-N189 PolarHBondContact N-OD1 2.79Å; G162-N189 CarbonylContact O-C 3.56Å; G162-N189 WeakPolarHBondContact O-CA 3.41Å; G162-N189 VanDerWaalsContact O-CB 3.31Å; G162-N189 WeakPolarHBondContact O-CB 3.31Å; V164-N189 HydrophobicContact CG1-CB 4.16Å; V164-N189 HydrophobicContact CG2-CB 4.26Å; A184-N189 HydrophobicContact CB-CB 4.43Å; A184-N189 WeakPolarHBondContact O-CB 3.22Å; A184-N189 PolarHBondContact O-N 2.94Å; A184-N189 PolarHBondContact O-ND2 3.32Å; A184-N189 VanDerWaalsContact O-ND2 3.11Å; A187-N189 VanDerWaalsContact CB-ND2 3.32Å; A187-N189 WeakPolarHBondContact CB-ND2 3.39Å; N189-Y494 PolarHBondContact ND2-O 3.21Å; N189-Y494 PolarHBondContact OD1-O 3.25Å
190	C	99	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	146.2	165.2	-61.7	0	0	0	0	110.2	A71 K75 G162 V163 V164 V218	A71-C190 HydrophobicContact CB-CB 3.95Å; K75-C190 VanDerWaalsContact CA-SG 3.59Å; G162-C190 PolarHBondContact O-N 2.84Å; V163-C190 CarbonylContact C-O 3.5Å; V163-C190 WeakPolarHBondContact CA-O 3.04Å; V163-C190 HydrophobicContact CG2-CB 4.37Å; V164-C190 PolarHBondContact N-O 3.33Å; C190-V218 CarbonylContact C-O 3.51Å; C190-V218 VanDerWaalsContact CA-O 3.27Å; C190-V218 WeakPolarHBondContact CA-O 3.43Å
191	V	99	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.4	-171.5	176	0	0	0	0	110.7	V164 Q166 M181 A184 L185 L193 V218 N220	V164-V191 HydrophobicContact CG2-CG2 4.06Å; V164-V191 WeakPolarHBondContact O-CA 3.18Å; Q166-V191 HydrophobicContact CB-CG1 4.3Å; Q166-V191 HydrophobicContact CG-CG1 4.03Å; M181-V191 HydrophobicContact CG-CG1 4.38Å; A184-V191 HydrophobicContact CB-CG2 3.88Å; L185-V191 HydrophobicContact CD2-CG2 4.47Å; V191-L193 HydrophobicContact CG1-CB 3.97Å; V191-V218 PolarHBondContact N-O 3.16Å; V191-N220 PolarHBondContact O-N 3.31Å; V191-N220 PolarHBondContact O-ND2 3.4Å
192	V	99	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	104.9	157.7	-178.2	0	0	0	0	107.4	I64 A67 L68 A71 V163 V164 G165 Q166 N220 V222 L233	I64-V192 HydrophobicContact CD1-CG1 4.34Å; A67-V192 HydrophobicContact CB-CG1 3.98Å; A67-V192 HydrophobicContact CB-CG2 4.16Å; L68-V192 HydrophobicContact CD2-CG2 4Å; L68-V192 HydrophobicContact CG-CG2 4.47Å; A71-V192 HydrophobicContact CB-CG2 4.45Å; V163-V192 HydrophobicContact CG1-CG2 4.32Å; V164-V192 PolarHBondContact O-N 3.29Å; G165-V192 WeakPolarHBondContact CA-O 3.26Å; Q166-V192 PolarHBondContact N-O 3.08Å; V192-N220 CarbonylContact C-O 3.41Å; V192-N220 WeakPolarHBondContact CA-O 3.45Å; V192-V222 HydrophobicContact CG1-CG2 4.38Å; V192-L233 HydrophobicContact CB-CD1 4.06Å; V192-L233 HydrophobicContact CB-CD2 4.45Å; V192-L233 HydrophobicContact CG1-CD1 3.93Å; V192-L233 HydrophobicContact CG1-CD2 4.1Å
193	L	98.9	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.4	-177.5	-179.1	67.5	0	0	0	110.3	Q166 I168 A177 M181 V191 V203 N220 V221 V222	Q166-L193 HydrophobicContact CB-CD1 3.64Å; Q166-L193 CarbonylContact O-C 3.58Å; Q166-L193 WeakPolarHBondContact O-CA 3.24Å; I168-L193 HydrophobicContact CD1-CD1 4.14Å; I168-L193 HydrophobicContact CD1-CD2 4.41Å; I168-L193 HydrophobicContact CG1-CD1 4.18Å; I168-L193 HydrophobicContact CG2-CD1 3.89Å; A177-L193 HydrophobicContact CB-CD2 4.1Å; M181-L193 HydrophobicContact CE-CD2 4.3Å; M181-L193 HydrophobicContact SD-CD2 3.87Å; V191-L193 HydrophobicContact CG1-CB 3.97Å; L193-V203 HydrophobicContact CD2-CG1 3.66Å; L193-N220 PolarHBondContact N-O 2.8Å; L193-V221 HydrophobicContact CB-CG2 4.42Å; L193-V221 HydrophobicContact CD2-CG2 4.34Å; L193-V221 WeakPolarHBondContact O-CA 3.42Å; L193-V222 PolarHBondContact O-N 3.09Å
194	K	98.8	Very high	98.7	Very high	12 Å²	12	9.3 Å²	9.3	5%	0.052	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	105	173.5	-172.2	-95.2	166.7	-157.3	0	109.3	Q166 I167 I168 G224 I229	Q166-K194 PolarHBondContact O-N 2.81Å; I167-K194 HydrophobicContact CG1-CB 4.23Å; I167-K194 HydrophobicContact CG2-CD 4.03Å; I168-K194 PolarHBondContact N-O 3.21Å; K194-G224 WeakPolarHBondContact CE-O 3.31Å; K194-G224 PolarHBondContact NZ-O 3.41Å; K194-I229 HydrophobicContact CD-CD1 4.47Å; K194-I229 HydrophobicContact CG-CD1 3.57Å; K194-I229 HydrophobicContact CG-CG1 4Å
195	P	98.8	Very high	98.6	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	5%	0.045	C	C	.	.			trans	-66	161.3	172.3	-21.8	34.9	0	0	0	112.9	I168 P200 V203 V221	I168-P195 HydrophobicContact CD1-CB 4.42Å; P195-P200 HydrophobicContact CB-CB 4.35Å; P195-V203 HydrophobicContact CG-CB 4.29Å; P195-V203 HydrophobicContact CG-CG1 4.01Å; P195-V221 HydrophobicContact CG-CG1 3.59Å
196	A	98.4	Very high	98.6	Very high	9 Å²	9	9.6 Å²	9.6	7%	0.074	4%	0.044	C	C	.	.			trans	-71.2	145.6	166	0	0	0	0	0	110.4	I168 W170 L198 T199	I168-A196 PolarHBondContact O-N 2.88Å; W170-A196 HydrophobicContact CB-CB 3.58Å; W170-A196 HydrophobicContact CG-CB 4.42Å; A196-L198 PolarHBondContact O-N 3.27Å; A196-T199 PolarHBondContact O-N 2.85Å
197	R	97.4	Very high	98.6	Very high	107 Å²	107	9.9 Å²	9.9	40%	0.404	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.1	-178.3	-76.2	-174.4	68	-160.8	3.6	113.6	Y42 G224	Y42-R197 HydrophobicContact CE1-CG 4.29Å; Y42-R197 HydrophobicContact CE2-CB 4.09Å; Y42-R197 HydrophobicContact CE2-CG 4.35Å; Y42-R197 VanDerWaalsContact CE2-O 3.32Å; Y42-R197 WeakPolarHBondContact CE2-O 3.43Å; Y42-R197 VanDerWaalsContact CG-NH2 3.31Å; R197-G224 VanDerWaalsContact CG-O 3.31Å; R197-G224 WeakPolarHBondContact CG-O 3.45Å
198	L	98.1	Very high	98.6	Very high	63 Å²	63	13.3 Å²	13.3	33%	0.33	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-25.2	-176.3	-66.3	176.8	0	0	0	112.5	N44 W170 A196 V350	N44-L198 PolarHBondContact OD1-O 2.63Å; W170-L198 HydrophobicContact CB-CB 3.94Å; W170-L198 HydrophobicContact CD2-CD1 4.48Å; W170-L198 HydrophobicContact CG-CB 4.41Å; W170-L198 HydrophobicContact CG-CD1 4.1Å; A196-L198 PolarHBondContact O-N 3.27Å; L198-V350 HydrophobicContact CB-CG2 3.99Å; L198-V350 HydrophobicContact CD1-CG1 3.92Å; L198-V350 HydrophobicContact CD1-CG2 4.29Å
199	T	98.6	Very high	98.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-142.8	59.8	-176.1	65.6	0	0	0	0	113.4	D111 N112 W170 P173 A196 V350	D111-T199 WeakPolarHBondContact OD2-CA 3.3Å; N112-T199 HydrophobicContact CB-CG2 3.87Å; W170-T199 WeakPolarHBondContact CA-OG1 3.5Å; W170-T199 HydrophobicContact CB-CG2 4.03Å; W170-T199 WeakPolarHBondContact CB-OG1 3.41Å; W170-T199 VanDerWaalsContact O-CG2 3.24Å; W170-T199 WeakPolarHBondContact O-CG2 3.27Å; W170-T199 PolarHBondContact O-OG1 3.43Å; P173-T199 WeakPolarHBondContact CB-O 3.21Å; P173-T199 WeakPolarHBondContact CB-OG1 3.41Å; P173-T199 WeakPolarHBondContact CG-OG1 3.44Å; A196-T199 PolarHBondContact O-N 2.85Å; T199-V350 HydrophobicContact CG2-CG2 3.67Å
200	P	98.5	Very high	98.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.			trans	-81.4	-17.9	-177.5	35.1	-36.9	0	0	0	113.6	V56 D111 P195 S202 V203 L204	V56-P200 HydrophobicContact CB-CG 4.45Å; V56-P200 HydrophobicContact CG1-CB 4.32Å; V56-P200 HydrophobicContact CG1-CG 4.25Å; V56-P200 HydrophobicContact CG2-CG 3.82Å; D111-P200 WeakPolarHBondContact OD2-CD 3.43Å; D111-P200 VanDerWaalsContact OD2-N 3.12Å; P195-P200 HydrophobicContact CB-CB 4.35Å; P200-S202 PolarHBondContact O-N 2.7Å; P200-V203 PolarHBondContact O-N 3.02Å; P200-L204 HydrophobicContact CB-CD1 4.03Å; P200-L204 HydrophobicContact CG-CD1 4.48Å; P200-L204 WeakPolarHBondContact O-CG 3.3Å; P200-L204 PolarHBondContact O-N 3.05Å
201	L	98.3	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.6	-45.9	-160.2	-177.3	61.6	0	0	0	113.1	L21 Y25 A107 D111 V203 L204 L205	L21-L201 HydrophobicContact CD2-CD1 4Å; L21-L201 HydrophobicContact CD2-CD2 3.88Å; L21-L201 HydrophobicContact CD2-CG 4.5Å; Y25-L201 HydrophobicContact CD2-CD1 4.37Å; Y25-L201 HydrophobicContact CE2-CD1 3.71Å; A107-L201 HydrophobicContact CB-CD2 4.12Å; A107-L201 HydrophobicContact CB-CG 4.26Å; D111-L201 HydrophobicContact CB-CB 4.11Å; D111-L201 HydrophobicContact CB-CD2 4.46Å; D111-L201 WeakPolarHBondContact OD2-CB 3.4Å; D111-L201 PolarHBondContact OD2-N 3.31Å; L201-V203 VanDerWaalsContact C-N 3.28Å; L201-V203 PolarHBondContact O-N 3.49Å; L201-L204 WeakPolarHBondContact O-CB 3.36Å; L201-L204 PolarHBondContact O-N 3.2Å; L201-L204 VanDerWaalsContact O-N 3.16Å; L201-L205 HydrophobicContact CD1-CD1 4.37Å; L201-L205 HydrophobicContact CD1-CG 4.27Å; L201-L205 HydrophobicContact CG-CD1 4.2Å; L201-L205 HydrophobicContact CG-CG 4.46Å; L201-L205 WeakPolarHBondContact O-CG 3.05Å; L201-L205 PolarHBondContact O-N 3.3Å
202	S	98.3	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-34.2	-176.5	64.8	0	0	0	0	112.4	E108 P200 L206	E108-S202 VanDerWaalsContact CD-OG 3.29Å; E108-S202 WeakPolarHBondContact OE1-CB 3.41Å; E108-S202 PolarHBondContact OE1-OG 3.01Å; P200-S202 PolarHBondContact O-N 2.7Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 3.37Å
203	V	98.8	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.1	-38.5	175.2	176.7	0	0	0	0	111.5	I168 A177 L193 P195 P200 L201 L206 M207 V221	I168-V203 HydrophobicContact CD1-CG2 3.97Å; A177-V203 HydrophobicContact CB-CG2 3.95Å; L193-V203 HydrophobicContact CD2-CG1 3.66Å; P195-V203 HydrophobicContact CG-CB 4.29Å; P195-V203 HydrophobicContact CG-CG1 4.01Å; P200-V203 PolarHBondContact O-N 3.02Å; L201-V203 VanDerWaalsContact C-N 3.28Å; L201-V203 PolarHBondContact O-N 3.49Å; V203-L206 WeakPolarHBondContact O-CB 3.12Å; V203-L206 PolarHBondContact O-N 2.83Å; V203-M207 PolarHBondContact O-N 3.47Å; V203-M207 VanDerWaalsContact O-N 3.14Å; V203-V221 HydrophobicContact CG1-CG1 4.04Å; V203-V221 HydrophobicContact CG1-CG2 4.22Å
204	L	98.8	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.4	-46.5	175.7	-68.3	163.6	0	0	0	111	Y25 W33 V56 P200 L201 L206 M207 E208	Y25-L204 HydrophobicContact CD1-CB 4.12Å; Y25-L204 HydrophobicContact CD1-CD1 4.41Å; Y25-L204 HydrophobicContact CG-CD1 4.02Å; W33-L204 HydrophobicContact CH2-CB 4.38Å; W33-L204 HydrophobicContact CH2-CD2 4.12Å; W33-L204 WeakPolarHBondContact CH2-O 3.49Å; W33-L204 HydrophobicContact CZ3-CD2 3.73Å; V56-L204 HydrophobicContact CG1-CD1 4.1Å; V56-L204 HydrophobicContact CG2-CD1 4.27Å; P200-L204 HydrophobicContact CB-CD1 4.03Å; P200-L204 HydrophobicContact CG-CD1 4.48Å; P200-L204 WeakPolarHBondContact O-CG 3.3Å; P200-L204 PolarHBondContact O-N 3.05Å; L201-L204 WeakPolarHBondContact O-CB 3.36Å; L201-L204 PolarHBondContact O-N 3.2Å; L201-L204 VanDerWaalsContact O-N 3.16Å; L204-L206 VanDerWaalsContact C-N 3.31Å; L204-L206 PolarHBondContact O-N 2.82Å; L204-M207 PolarHBondContact O-N 2.89Å; L204-M207 VanDerWaalsContact O-N 3.12Å; L204-E208 PolarHBondContact O-N 2.77Å
205	L	98.2	Very high	98.5	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-36.3	174.9	-66.4	-179.9	0	0	0	112.2	Y25 L104 A107 L201 M207 E208 I209	Y25-L205 HydrophobicContact CE1-CD2 4.13Å; L104-L205 HydrophobicContact CD2-CB 4.31Å; A107-L205 HydrophobicContact CB-CD1 3.42Å; A107-L205 VanDerWaalsContact CB-CD1 3.42Å; L201-L205 HydrophobicContact CD1-CD1 4.37Å; L201-L205 HydrophobicContact CD1-CG 4.27Å; L201-L205 HydrophobicContact CG-CD1 4.2Å; L201-L205 HydrophobicContact CG-CG 4.46Å; L201-L205 WeakPolarHBondContact O-CG 3.05Å; L201-L205 PolarHBondContact O-N 3.3Å; L205-M207 VanDerWaalsContact C-N 3.27Å; L205-M207 PolarHBondContact O-N 2.95Å; L205-E208 WeakPolarHBondContact O-CB 3.34Å; L205-E208 PolarHBondContact O-N 2.8Å; L205-E208 VanDerWaalsContact O-N 3.13Å; L205-I209 WeakPolarHBondContact O-CD1 3.12Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.24Å; L205-I209 PolarHBondContact O-N 3.15Å; L205-I209 VanDerWaalsContact O-N 3.08Å
206	L	98.7	Very high	98.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-55.6	-45.1	172	177.6	67.9	0	0	0	110.8	M97 L174 M181 S202 V203 L204 E208 I209 V210	M97-L206 HydrophobicContact CE-CD1 4.17Å; M97-L206 HydrophobicContact CG-CD1 3.49Å; M97-L206 VanDerWaalsContact CG-CD1 3.49Å; M97-L206 HydrophobicContact SD-CD1 3.68Å; L174-L206 HydrophobicContact CD1-CB 3.89Å; L174-L206 HydrophobicContact CD1-CD1 4.33Å; L174-L206 HydrophobicContact CD1-CD2 3.71Å; L174-L206 HydrophobicContact CD1-CG 4.17Å; M181-L206 HydrophobicContact CE-CD2 3.66Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 3.37Å; V203-L206 WeakPolarHBondContact O-CB 3.12Å; V203-L206 PolarHBondContact O-N 2.83Å; L204-L206 VanDerWaalsContact C-N 3.31Å; L204-L206 PolarHBondContact O-N 2.82Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 3.45Å; L206-I209 PolarHBondContact O-N 2.97Å; L206-I209 VanDerWaalsContact O-N 3.07Å; L206-V210 HydrophobicContact CD1-CG1 4.02Å; L206-V210 HydrophobicContact CD1-CG2 4.01Å; L206-V210 HydrophobicContact CG-CG2 4.09Å; L206-V210 WeakPolarHBondContact O-CG2 3.28Å; L206-V210 PolarHBondContact O-N 3.42Å
207	M	98.8	Very high	98.5	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-65.6	-31.7	178.5	-65.2	-55.7	94.1	0	0	112.7	F28 W33 V203 L204 L205 I209 V210 G211 V219 V221	F28-M207 HydrophobicContact CB-CB 4.29Å; F28-M207 HydrophobicContact CB-CG 4.18Å; F28-M207 HydrophobicContact CD1-CB 4.24Å; F28-M207 HydrophobicContact CD1-CG 4.02Å; F28-M207 HydrophobicContact CD1-SD 3.95Å; F28-M207 HydrophobicContact CD2-CB 4.09Å; F28-M207 HydrophobicContact CE1-SD 4.17Å; F28-M207 HydrophobicContact CE2-CB 4.49Å; F28-M207 HydrophobicContact CG-CB 3.95Å; F28-M207 HydrophobicContact CG-CG 4.05Å; W33-M207 HydrophobicContact CH2-CB 4.08Å; W33-M207 HydrophobicContact CZ2-CB 4.13Å; V203-M207 PolarHBondContact O-N 3.47Å; V203-M207 VanDerWaalsContact O-N 3.14Å; L204-M207 PolarHBondContact O-N 2.89Å; L204-M207 VanDerWaalsContact O-N 3.12Å; L205-M207 VanDerWaalsContact C-N 3.27Å; L205-M207 PolarHBondContact O-N 2.95Å; M207-I209 VanDerWaalsContact C-N 3.29Å; M207-I209 PolarHBondContact O-N 3.23Å; M207-V210 HydrophobicContact CE-CG2 4.15Å; M207-G211 VanDerWaalsContact O-CA 3.23Å; M207-G211 WeakPolarHBondContact O-CA 3.49Å; M207-G211 PolarHBondContact O-N 3.01Å; M207-V219 HydrophobicContact CE-CG1 4.37Å; M207-V219 HydrophobicContact SD-CB 4.46Å; M207-V219 HydrophobicContact SD-CG1 3.71Å; M207-V221 HydrophobicContact CG-CG2 3.61Å; M207-V221 HydrophobicContact SD-CG2 3.9Å
208	E	98.3	Very high	98.6	Very high	72 Å²	72	21.8 Å²	21.8	34%	0.336	12%	0.122	S	C	.	.	H	α-helix	trans	-64.8	-34.8	171.2	-63.7	-173	166.8	0	0	112.5	K22 Y25 W33 L204 L205 L206	K22-E208 WeakPolarHBondContact CE-OE1 3.16Å; K22-E208 IonicContact NZ-OE1 3.68Å; K22-E208 PolarHBondContact NZ-OE1 3.18Å; Y25-E208 WeakPolarHBondContact CE1-OE1 3.33Å; W33-E208 HydrophobicContact CH2-CG 4.15Å; W33-E208 HydrophobicContact CZ2-CB 4.46Å; W33-E208 HydrophobicContact CZ2-CG 3.4Å; L204-E208 PolarHBondContact O-N 2.77Å; L205-E208 WeakPolarHBondContact O-CB 3.34Å; L205-E208 PolarHBondContact O-N 2.8Å; L205-E208 VanDerWaalsContact O-N 3.13Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 3.45Å
209	I	98.6	Very high	98.6	Very high	19 Å²	19	18.9 Å²	18.9	10%	0.097	11%	0.107	C	C	.	.	H	α-helix	trans	-81.8	-37.7	-175.3	-66.1	159.8	0	0	0	111.8	R96 N100 L103 L104 L205 L206 M207	R96-I209 HydrophobicContact CB-CG2 3.78Å; R96-I209 WeakPolarHBondContact CD-O 3.48Å; R96-I209 PolarHBondContact NH1-O 3.34Å; N100-I209 HydrophobicContact CB-CD1 3.71Å; N100-I209 HydrophobicContact CB-CG1 4.35Å; N100-I209 HydrophobicContact CB-CG2 4.41Å; L103-I209 HydrophobicContact CD2-CD1 4.23Å; L104-I209 HydrophobicContact CD1-CD1 4.2Å; L104-I209 HydrophobicContact CD2-CD1 3.85Å; L104-I209 HydrophobicContact CG-CD1 3.96Å; L205-I209 WeakPolarHBondContact O-CD1 3.12Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.24Å; L205-I209 PolarHBondContact O-N 3.15Å; L205-I209 VanDerWaalsContact O-N 3.08Å; L206-I209 PolarHBondContact O-N 2.97Å; L206-I209 VanDerWaalsContact O-N 3.07Å; M207-I209 VanDerWaalsContact C-N 3.29Å; M207-I209 PolarHBondContact O-N 3.23Å
210	V	98.8	Very high	98.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-122.9	-6.2	-169.6	-47.1	0	0	0	0	114.9	I93 R96 M97 L206 M207 D212 L213	I93-V210 HydrophobicContact CB-CG1 4.5Å; I93-V210 HydrophobicContact CG1-CB 4.1Å; I93-V210 HydrophobicContact CG1-CG2 4.27Å; I93-V210 HydrophobicContact CG2-CB 4.45Å; I93-V210 HydrophobicContact CG2-CG1 4.18Å; I93-V210 HydrophobicContact CG2-CG2 4.3Å; R96-V210 HydrophobicContact CB-CG1 4.03Å; M97-V210 HydrophobicContact CG-CG1 4.43Å; L206-V210 HydrophobicContact CD1-CG1 4.02Å; L206-V210 HydrophobicContact CD1-CG2 4.01Å; L206-V210 HydrophobicContact CG-CG2 4.09Å; L206-V210 WeakPolarHBondContact O-CG2 3.28Å; L206-V210 PolarHBondContact O-N 3.42Å; M207-V210 HydrophobicContact CE-CG2 4.15Å; V210-D212 VanDerWaalsContact C-N 3.28Å; V210-D212 PolarHBondContact O-N 2.99Å; V210-L213 HydrophobicContact CB-CD1 4.25Å; V210-L213 WeakPolarHBondContact O-CB 3.24Å; V210-L213 PolarHBondContact O-N 2.97Å
211	G	98.7	Very high	98.7	Very high	8 Å²	8	18.9 Å²	18.9	8%	0.082	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-58.3	-36	-173.7	0	0	0	0	0	113.9	M207 L213 L214	M207-G211 VanDerWaalsContact O-CA 3.23Å; M207-G211 WeakPolarHBondContact O-CA 3.49Å; M207-G211 PolarHBondContact O-N 3.01Å; G211-L213 VanDerWaalsContact C-N 3.27Å; G211-L213 PolarHBondContact O-N 3.22Å; G211-L214 PolarHBondContact O-N 3.44Å
212	D	98.7	Very high	98.7	Very high	109 Å²	109	18.9 Å²	18.9	58%	0.583	11%	0.107	S	C	*	.	G	3₁₀ helix	trans	-72.1	-15.7	178.4	64	-65.1	0	0	0	114.1	R96 V210 L214	R96-D212 IonicContact CZ-OD1 2.77Å; R96-D212 IonicContact CZ-OD2 3.15Å; R96-D212 VanDerWaalsContact CZ-OD2 3.31Å; R96-D212 IonicContact NH1-OD1 3.79Å; R96-D212 PolarHBondContact NH1-OD1 3.37Å; R96-D212 IonicContact NH1-OD2 3.9Å; R96-D212 PolarHBondContact NH1-OD2 3.46Å; R96-D212 IonicContact NH2-OD1 3.98Å; R96-D212 IonicContact NH2-OD2 3.44Å; R96-D212 PolarHBondContact NH2-OD2 2.79Å; V210-D212 VanDerWaalsContact C-N 3.28Å; V210-D212 PolarHBondContact O-N 2.99Å; D212-L214 VanDerWaalsContact C-N 3.26Å
213	L	98.8	Very high	98.7	Very high	32 Å²	32	19 Å²	19	17%	0.168	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-74.5	-21.6	174.9	-64.4	178.9	0	0	0	112.5	K92 I93 R96 V210 G211	K92-L213 HydrophobicContact CB-CD1 3.75Å; K92-L213 HydrophobicContact CB-CD2 4.33Å; K92-L213 HydrophobicContact CD-CD2 4.35Å; I93-L213 HydrophobicContact CG1-CD1 4.02Å; R96-L213 HydrophobicContact CG-CD1 4.31Å; R96-L213 VanDerWaalsContact CZ-CD2 3.44Å; R96-L213 VanDerWaalsContact NH2-CD2 3.27Å; V210-L213 HydrophobicContact CB-CD1 4.25Å; V210-L213 WeakPolarHBondContact O-CB 3.24Å; V210-L213 PolarHBondContact O-N 2.97Å; G211-L213 VanDerWaalsContact C-N 3.27Å; G211-L213 PolarHBondContact O-N 3.22Å
214	L	98.7	Very high	98.7	Very high	14 Å²	14	19 Å²	19	7%	0.073	11%	0.107	C	C	.	.	S	Bend	trans	-99	142	-173.1	-68.2	159.7	0	0	0	109.9	I89 I93 L185 G211 D212 V218 V219	I89-L214 HydrophobicContact CG2-CD2 3.92Å; I93-L214 HydrophobicContact CD1-CD1 4.48Å; I93-L214 HydrophobicContact CD1-CD2 4.19Å; I93-L214 HydrophobicContact CD1-CG 4.42Å; L185-L214 HydrophobicContact CD1-CD2 4.37Å; G211-L214 PolarHBondContact O-N 3.44Å; D212-L214 VanDerWaalsContact C-N 3.26Å; L214-V218 HydrophobicContact CD2-CG1 4.1Å; L214-V219 HydrophobicContact CD1-CB 4.04Å; L214-V219 HydrophobicContact CD1-CG2 3.67Å
215	P	98.5	Very high	98.6	Very high	38 Å²	38	20.5 Å²	20.5	25%	0.247	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-56.4	135.9	168.4	-22	31.7	0	0	0	110.6	W78 G217 V218	W78-P215 HydrophobicContact CE3-CG 3.97Å; W78-P215 HydrophobicContact CZ3-CG 4.09Å; P215-G217 PolarHBondContact O-N 2.95Å; P215-V218 HydrophobicContact CB-CG2 3.79Å; P215-V218 HydrophobicContact CG-CG2 4.02Å; P215-V218 WeakPolarHBondContact O-CB 3.08Å; P215-V218 WeakPolarHBondContact O-CG2 3.43Å; P215-V218 PolarHBondContact O-N 3.41Å
216	P	98.8	Very high	98.4	Very high	85 Å²	85	21.7 Å²	21.7	55%	0.552	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	121.6	-179.9	-32.2	37.3	0	0	0	112.5	G30 V74	G30-P216 WeakPolarHBondContact O-CB 3.44Å; V74-P216 WeakPolarHBondContact CG1-O 3.43Å; V74-P216 WeakPolarHBondContact CG2-O 3.48Å
217	G	98.8	Very high	98.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-6.3	-179.5	0	0	0	0	0	115.7	A71 P215 N220	A71-G217 WeakPolarHBondContact CA-O 3.32Å; P215-G217 PolarHBondContact O-N 2.95Å; G217-N220 PolarHBondContact O-ND2 3.16Å
218	V	98.9	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-67.7	-38.1	175.6	168.6	0	0	0	0	112	V74 W78 L185 C190 V191 L214 P215	V74-V218 HydrophobicContact CG2-CG2 4.03Å; W78-V218 HydrophobicContact CB-CG2 3.94Å; W78-V218 HydrophobicContact CD2-CG1 3.95Å; W78-V218 HydrophobicContact CD2-CG2 3.87Å; W78-V218 HydrophobicContact CE3-CG2 4.15Å; W78-V218 HydrophobicContact CG-CG1 4.11Å; W78-V218 HydrophobicContact CG-CG2 3.77Å; W78-V218 HydrophobicContact CZ2-CG1 4.17Å; L185-V218 HydrophobicContact CD2-CG1 3.44Å; L185-V218 VanDerWaalsContact CD2-CG1 3.44Å; C190-V218 CarbonylContact C-O 3.51Å; C190-V218 VanDerWaalsContact CA-O 3.27Å; C190-V218 WeakPolarHBondContact CA-O 3.43Å; V191-V218 PolarHBondContact N-O 3.16Å; L214-V218 HydrophobicContact CD2-CG1 4.1Å; P215-V218 HydrophobicContact CB-CG2 3.79Å; P215-V218 HydrophobicContact CG-CG2 4.02Å; P215-V218 WeakPolarHBondContact O-CB 3.08Å; P215-V218 WeakPolarHBondContact O-CG2 3.43Å; P215-V218 PolarHBondContact O-N 3.41Å
219	V	98.9	Very high	98.1	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132	168.9	177.7	0	0	0	0	108.1	M181 L185 M207 L214 V221	M181-V219 HydrophobicContact SD-CG1 4.04Å; L185-V219 HydrophobicContact CD1-CG2 4.05Å; L185-V219 HydrophobicContact CD2-CG2 3.8Å; L185-V219 HydrophobicContact CG-CG2 4.43Å; M207-V219 HydrophobicContact CE-CG1 4.37Å; M207-V219 HydrophobicContact SD-CB 4.46Å; M207-V219 HydrophobicContact SD-CG1 3.71Å; L214-V219 HydrophobicContact CD1-CB 4.04Å; L214-V219 HydrophobicContact CD1-CG2 3.67Å; V219-V221 HydrophobicContact CG1-CG2 4.32Å
220	N	99	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.6	175.3	-50	-92.1	0	0	0	108.1	F28 G30 A67 A70 V191 V192 L193 G217	F28-N220 CarbonylContact O-C 3.51Å; F28-N220 WeakPolarHBondContact O-CA 3.4Å; G30-N220 PolarHBondContact N-OD1 2.9Å; A67-N220 HydrophobicContact CB-CB 3.82Å; A70-N220 WeakPolarHBondContact CB-OD1 3.34Å; V191-N220 PolarHBondContact O-N 3.31Å; V191-N220 PolarHBondContact O-ND2 3.4Å; V192-N220 CarbonylContact C-O 3.41Å; V192-N220 WeakPolarHBondContact CA-O 3.45Å; L193-N220 PolarHBondContact N-O 2.8Å; G217-N220 PolarHBondContact O-ND2 3.16Å
221	V	99	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.2	-179.6	-175.5	0	0	0	0	108.9	N27 F28 L193 P195 V203 M207 V219	N27-V221 WeakPolarHBondContact CB-O 3.16Å; F28-V221 HydrophobicContact CB-CB 4.16Å; F28-V221 HydrophobicContact CB-CG2 4.49Å; F28-V221 PolarHBondContact N-O 2.91Å; F28-V221 PolarHBondContact O-N 2.91Å; L193-V221 HydrophobicContact CB-CG2 4.42Å; L193-V221 HydrophobicContact CD2-CG2 4.34Å; L193-V221 WeakPolarHBondContact O-CA 3.42Å; P195-V221 HydrophobicContact CG-CG1 3.59Å; V203-V221 HydrophobicContact CG1-CG1 4.04Å; V203-V221 HydrophobicContact CG1-CG2 4.22Å; M207-V221 HydrophobicContact CG-CG2 3.61Å; M207-V221 HydrophobicContact SD-CG2 3.9Å; V219-V221 HydrophobicContact CG1-CG2 4.32Å
222	V	98.9	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.188	C	C	.	.			trans	-119.2	123.1	-179.7	-173	0	0	0	0	109.9	I29 D63 I64 A67 V192 L193 I229	I29-V222 HydrophobicContact CD1-CG2 4.18Å; I29-V222 HydrophobicContact CG1-CG2 4.31Å; D63-V222 HydrophobicContact CB-CG1 3.92Å; I64-V222 HydrophobicContact CD1-CB 3.87Å; I64-V222 HydrophobicContact CD1-CG1 3.81Å; I64-V222 HydrophobicContact CD1-CG2 4.12Å; I64-V222 HydrophobicContact CG1-CG1 4.33Å; A67-V222 HydrophobicContact CB-CG2 3.61Å; V192-V222 HydrophobicContact CG1-CG2 4.38Å; L193-V222 PolarHBondContact O-N 3.09Å; V222-I229 HydrophobicContact CG1-CD1 4.04Å
223	N	98.9	Very high	97.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	16%	0.16	C	C	.	.			trans	-100.8	141.9	-176.6	-65	-81.8	0	0	0	111.2	N27 V56 A57 S59	N27-N223 PolarHBondContact OD1-N 3.47Å; V56-N223 HydrophobicContact CG1-CB 3.62Å; A57-N223 CarbonylContact O-C 3.32Å; A57-N223 VanDerWaalsContact O-C 3.3Å; A57-N223 WeakPolarHBondContact O-CB 3.35Å; A57-N223 VanDerWaalsContact O-O 3.04Å; S59-N223 WeakPolarHBondContact CA-O 3.39Å; S59-N223 WeakPolarHBondContact CB-O 3.03Å; S59-N223 PolarHBondContact N-O 2.68Å; S59-N223 PolarHBondContact OG-O 3.48Å
224	G	98.2	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	158	-176	-178.8	0	0	0	0	0	113.7	K194 R197 G226	K194-G224 WeakPolarHBondContact CE-O 3.31Å; K194-G224 PolarHBondContact NZ-O 3.41Å; R197-G224 VanDerWaalsContact CG-O 3.31Å; R197-G224 WeakPolarHBondContact CG-O 3.45Å; G224-G226 PolarHBondContact O-N 3.32Å
225	A	96.5	Very high	97.8	Very high	32 Å²	32	23.5 Å²	23.5	26%	0.264	16%	0.157	S	C	.	.			trans	-66.2	131.2	-177.4	0	0	0	0	0	112.2	G227 V228 I229	A225-G227 PolarHBondContact O-N 3.46Å; A225-V228 HydrophobicContact CB-CB 4.17Å; A225-V228 HydrophobicContact CB-CG2 3.95Å; A225-V228 PolarHBondContact O-N 3.49Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.33Å; A225-I229 PolarHBondContact O-N 3.44Å
226	G	93.8	Very high	97.8	Very high	33 Å²	33	22.2 Å²	22.2	34%	0.34	15%	0.149	S	C	.	.	I	π-helix	trans	-57.1	-48.1	179	0	0	0	0	0	112.6	G224 V228 G230 E231	G224-G226 PolarHBondContact O-N 3.32Å; G226-V228 PolarHBondContact O-N 3.03Å; G226-G230 CarbonylContact O-C 3.56Å; G226-G230 WeakPolarHBondContact O-CA 3.44Å; G226-G230 PolarHBondContact O-N 3.12Å; G226-E231 PolarHBondContact O-N 2.91Å; G226-E231 VanDerWaalsContact O-N 3.12Å
227	G	94.3	Very high	97.7	Very high	62 Å²	62	26.9 Å²	26.9	64%	0.639	16%	0.16	S	C	*	.	I	π-helix	trans	-70.6	5.8	176.3	0	0	0	0	0	115.3	A225	A225-G227 PolarHBondContact O-N 3.46Å
228	V	96.1	Very high	97.7	Very high	68 Å²	68	30.5 Å²	30.5	41%	0.412	17%	0.174	S	C	.	.	I	π-helix	trans	-118	-67.7	173.2	-180	0	0	0	0	109.4	A225 G226 Y232	A225-V228 HydrophobicContact CB-CB 4.17Å; A225-V228 HydrophobicContact CB-CG2 3.95Å; A225-V228 PolarHBondContact O-N 3.49Å; G226-V228 PolarHBondContact O-N 3.03Å; V228-Y232 VanDerWaalsContact O-CB 3.24Å; V228-Y232 WeakPolarHBondContact O-CB 3.17Å; V228-Y232 PolarHBondContact O-N 2.94Å; V228-Y232 VanDerWaalsContact O-N 3.12Å
229	I	98.3	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-83.3	-28.5	-174.4	62	159.4	0	0	0	112.7	S59 G60 I64 K194 V222 A225 L233	S59-I229 WeakPolarHBondContact O-CG2 3.44Å; G60-I229 WeakPolarHBondContact O-CG2 3.21Å; I64-I229 HydrophobicContact CD1-CB 4.07Å; I64-I229 HydrophobicContact CG1-CB 3.85Å; I64-I229 HydrophobicContact CG1-CG2 4.13Å; K194-I229 HydrophobicContact CD-CD1 4.47Å; K194-I229 HydrophobicContact CG-CD1 3.57Å; K194-I229 HydrophobicContact CG-CG1 4Å; V222-I229 HydrophobicContact CG1-CD1 4.04Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.33Å; A225-I229 PolarHBondContact O-N 3.44Å; I229-L233 VanDerWaalsContact O-CB 3.22Å; I229-L233 WeakPolarHBondContact O-CB 3.37Å; I229-L233 PolarHBondContact O-N 3.32Å
230	G	97.7	Very high	97.7	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	19%	0.187	C	C	.	.	I	π-helix	trans	-70.1	-47	175.5	0	0	0	0	0	111.5	G226 L233 A234	G226-G230 CarbonylContact O-C 3.56Å; G226-G230 WeakPolarHBondContact O-CA 3.44Å; G226-G230 PolarHBondContact O-N 3.12Å; G230-L233 PolarHBondContact O-N 2.77Å; G230-A234 WeakPolarHBondContact O-CB 3.42Å; G230-A234 PolarHBondContact O-N 2.82Å
231	E	97.1	Very high	97.7	Very high	81 Å²	81	32.1 Å²	32.1	38%	0.379	19%	0.187	S	C	.	.	H	α-helix	trans	-59.3	-48.1	172.3	177.5	179.6	163.8	0	0	111.3	G226 L233 A234 T235 Y257	G226-E231 PolarHBondContact O-N 2.91Å; G226-E231 VanDerWaalsContact O-N 3.12Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.43Å; E231-A234 PolarHBondContact O-N 2.86Å; E231-T235 HydrophobicContact CG-CG2 4.37Å; E231-T235 WeakPolarHBondContact O-CB 3.23Å; E231-T235 WeakPolarHBondContact O-CG2 3.5Å; E231-T235 PolarHBondContact O-N 3.46Å; E231-T235 PolarHBondContact O-OG1 3.35Å; E231-Y257 HydrophobicContact CB-CE2 4.02Å; E231-Y257 HydrophobicContact CG-CD1 4.42Å; E231-Y257 HydrophobicContact CG-CD2 4.21Å; E231-Y257 HydrophobicContact CG-CE1 4.01Å; E231-Y257 HydrophobicContact CG-CE2 3.81Å
232	Y	98.4	Very high	97.6	Very high	58 Å²	58	32.1 Å²	32.1	23%	0.227	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-39.9	-179.1	-173	-114.3	0	0	0	112.7	K61 I64 D65 V228 T235 S236	K61-Y232 HydrophobicContact CB-CD1 3.71Å; K61-Y232 HydrophobicContact CB-CD2 4.33Å; K61-Y232 HydrophobicContact CB-CE1 3.69Å; K61-Y232 HydrophobicContact CB-CE2 4.31Å; K61-Y232 HydrophobicContact CB-CG 4.04Å; K61-Y232 HydrophobicContact CD-CD1 4.49Å; K61-Y232 HydrophobicContact CD-CD2 3.64Å; K61-Y232 HydrophobicContact CD-CE2 3.87Å; K61-Y232 HydrophobicContact CD-CG 3.97Å; K61-Y232 HydrophobicContact CG-CD1 3.84Å; K61-Y232 HydrophobicContact CG-CD2 3.86Å; K61-Y232 HydrophobicContact CG-CE1 4.23Å; K61-Y232 HydrophobicContact CG-CE2 4.24Å; K61-Y232 HydrophobicContact CG-CG 3.64Å; K61-Y232 WeakPolarHBondContact O-CE1 3.42Å; I64-Y232 HydrophobicContact CB-CD1 3.77Å; I64-Y232 HydrophobicContact CB-CE1 4.11Å; I64-Y232 HydrophobicContact CG1-CD1 4.29Å; I64-Y232 HydrophobicContact CG2-CD1 3.66Å; I64-Y232 HydrophobicContact CG2-CE1 3.96Å; D65-Y232 PolarHBondContact OD1-OH 3.48Å; D65-Y232 PolarHBondContact OD2-OH 2.62Å; D65-Y232 VanDerWaalsContact OD2-OH 3.13Å; V228-Y232 VanDerWaalsContact O-CB 3.24Å; V228-Y232 WeakPolarHBondContact O-CB 3.17Å; V228-Y232 PolarHBondContact O-N 2.94Å; V228-Y232 VanDerWaalsContact O-N 3.12Å; Y232-T235 PolarHBondContact O-OG1 2.99Å; Y232-S236 WeakPolarHBondContact O-CB 3.25Å; Y232-S236 PolarHBondContact O-N 3.33Å; Y232-S236 VanDerWaalsContact O-N 3.16Å
233	L	98.5	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-48.5	173.3	-179.4	60.2	0	0	0	111.1	I64 L68 V192 I229 G230 E231 T235 S236 I239	I64-L233 HydrophobicContact CD1-CB 4.41Å; I64-L233 HydrophobicContact CG2-CB 4.39Å; I64-L233 HydrophobicContact CG2-CD1 4.21Å; L68-L233 HydrophobicContact CD2-CD1 4.34Å; V192-L233 HydrophobicContact CB-CD1 4.06Å; V192-L233 HydrophobicContact CB-CD2 4.45Å; V192-L233 HydrophobicContact CG1-CD1 3.93Å; V192-L233 HydrophobicContact CG1-CD2 4.1Å; I229-L233 VanDerWaalsContact O-CB 3.22Å; I229-L233 WeakPolarHBondContact O-CB 3.37Å; I229-L233 PolarHBondContact O-N 3.32Å; G230-L233 PolarHBondContact O-N 2.77Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 3.43Å; L233-T235 VanDerWaalsContact C-N 3.32Å; L233-T235 PolarHBondContact O-N 2.82Å; L233-S236 VanDerWaalsContact O-CB 3.28Å; L233-S236 WeakPolarHBondContact O-CB 3.24Å; L233-S236 PolarHBondContact O-N 3.35Å; L233-S236 VanDerWaalsContact O-N 3.16Å; L233-I239 HydrophobicContact CD1-CG2 3.79Å; L233-I239 WeakPolarHBondContact O-CD1 3.11Å
234	A	97.9	Very high	97.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.3	-28.8	-177	0	0	0	0	0	113.8	G230 E231 V242 I254 Y257	G230-A234 WeakPolarHBondContact O-CB 3.42Å; G230-A234 PolarHBondContact O-N 2.82Å; E231-A234 PolarHBondContact O-N 2.86Å; A234-V242 HydrophobicContact CB-CG2 4.4Å; A234-I254 HydrophobicContact CB-CD1 4Å; A234-Y257 HydrophobicContact CB-CD2 4.06Å; A234-Y257 HydrophobicContact CB-CG 4.44Å
235	T	97.6	Very high	97.6	Very high	30 Å²	30	33.1 Å²	33.1	18%	0.184	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.9	175.3	53.4	0	0	0	0	113.3	E231 Y232 L233 K237 Y257 N261	E231-T235 HydrophobicContact CG-CG2 4.37Å; E231-T235 WeakPolarHBondContact O-CB 3.23Å; E231-T235 WeakPolarHBondContact O-CG2 3.5Å; E231-T235 PolarHBondContact O-N 3.46Å; E231-T235 PolarHBondContact O-OG1 3.35Å; Y232-T235 PolarHBondContact O-OG1 2.99Å; L233-T235 VanDerWaalsContact C-N 3.32Å; L233-T235 PolarHBondContact O-N 2.82Å; T235-K237 PolarHBondContact O-N 3.06Å; T235-Y257 HydrophobicContact CG2-CD1 3.77Å; T235-Y257 HydrophobicContact CG2-CG 3.74Å; T235-N261 VanDerWaalsContact C-ND2 3.27Å; T235-N261 PolarHBondContact O-ND2 3.07Å
236	S	98.1	Very high	97.7	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.07	19%	0.191	C	C	.	.			trans	-71	128.6	-177.8	-175.6	0	0	0	0	111.9	L68 Y232 L233 R238 I239 N261	L68-S236 WeakPolarHBondContact CD1-OG 3.46Å; Y232-S236 WeakPolarHBondContact O-CB 3.25Å; Y232-S236 PolarHBondContact O-N 3.33Å; Y232-S236 VanDerWaalsContact O-N 3.16Å; L233-S236 VanDerWaalsContact O-CB 3.28Å; L233-S236 WeakPolarHBondContact O-CB 3.24Å; L233-S236 PolarHBondContact O-N 3.35Å; L233-S236 VanDerWaalsContact O-N 3.16Å; S236-R238 PolarHBondContact O-N 2.88Å; S236-R238 WeakPolarHBondContact OG-CB 3.48Å; S236-R238 PolarHBondContact OG-N 2.94Å; S236-I239 WeakPolarHBondContact O-CG1 3.41Å; S236-I239 PolarHBondContact O-N 2.98Å; S236-N261 PolarHBondContact O-ND2 3.37Å
237	K	97.7	Very high	97.8	Very high	184 Å²	184	33.4 Å²	33.4	80%	0.8	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.9	170.1	-71.6	177.3	-178.7	-175	0	113.5	T235 N261	T235-K237 PolarHBondContact O-N 3.06Å; K237-N261 WeakPolarHBondContact CG-OD1 3.39Å; K237-N261 PolarHBondContact N-ND2 3.44Å
238	R	98.5	Very high	98	Very high	76 Å²	76	30.9 Å²	30.9	29%	0.287	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-1.2	-173	-54.9	179.8	62.3	-169.4	2.5	112.9	D65 L68 D69 H72 S236	D65-R238 IonicContact OD1-NH1 3.31Å; L68-R238 HydrophobicContact CD1-CB 4.17Å; L68-R238 HydrophobicContact CD2-CB 4.27Å; D69-R238 IonicContact OD1-CZ 2.66Å; D69-R238 IonicContact OD1-NH1 3.27Å; D69-R238 PolarHBondContact OD1-NH1 2.91Å; D69-R238 IonicContact OD1-NH2 2.72Å; D69-R238 PolarHBondContact OD1-NH2 3.21Å; H72-R238 PolarHBondContact CE1-O 2.9Å; H72-R238 PolarHBondContact NE2-O 3.22Å; S236-R238 PolarHBondContact O-N 2.88Å; S236-R238 WeakPolarHBondContact OG-CB 3.48Å; S236-R238 PolarHBondContact OG-N 2.94Å
239	I	98.6	Very high	98	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.036	18%	0.176	C	C	.	.			trans	-105	144.2	168.1	57.4	162.6	0	0	0	109.8	L68 V163 L233 S236 V242 I263	L68-I239 HydrophobicContact CD2-CG2 3.65Å; V163-I239 HydrophobicContact CG1-CG2 4.41Å; V163-I239 CarbonylContact O-C 3.52Å; V163-I239 WeakPolarHBondContact O-CA 3.45Å; L233-I239 HydrophobicContact CD1-CG2 3.79Å; L233-I239 WeakPolarHBondContact O-CD1 3.11Å; S236-I239 WeakPolarHBondContact O-CG1 3.41Å; S236-I239 PolarHBondContact O-N 2.98Å; I239-V242 HydrophobicContact CD1-CB 4.09Å; I239-I263 HydrophobicContact CD1-CD1 3.63Å; I239-I263 HydrophobicContact CG1-CD1 3.75Å
240	A	98.4	Very high	98	Very high	31 Å²	31	37.2 Å²	37.2	26%	0.256	19%	0.191	S	C	.	.	S	Bend	trans	-93	-9.3	176.4	0	0	0	0	0	112.5	L161 V163 P264	L161-A240 HydrophobicContact CB-CB 3.86Å; L161-A240 VanDerWaalsContact O-CB 3.27Å; L161-A240 WeakPolarHBondContact O-CB 3.1Å; V163-A240 PolarHBondContact O-N 2.9Å; A240-P264 VanDerWaalsContact O-CD 3.29Å; A240-P264 WeakPolarHBondContact O-CD 3.28Å
241	K	98.5	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	148.3	-179.1	168.5	169.8	179.2	59.2	0	110.5	L161 V164 G165 P264 T266 H493 Y494	L161-K241 HydrophobicContact CD1-CB 3.84Å; L161-K241 HydrophobicContact CD1-CD 3.81Å; L161-K241 HydrophobicContact CD1-CG 4.46Å; V164-K241 WeakPolarHBondContact CA-O 3.21Å; V164-K241 HydrophobicContact CB-CB 4.17Å; V164-K241 HydrophobicContact CG1-CB 3.79Å; V164-K241 HydrophobicContact CG1-CG 4.49Å; G165-K241 PolarHBondContact N-O 2.94Å; K241-P264 HydrophobicContact CB-CG 4.16Å; K241-P264 HydrophobicContact CG-CG 4.47Å; K241-T266 PolarHBondContact NZ-OG1 2.83Å; K241-H493 WeakPolarHBondContact CD-O 3.26Å; K241-H493 WeakPolarHBondContact CE-O 3.33Å; K241-Y494 HydrophobicContact CD-CD1 3.78Å; K241-Y494 HydrophobicContact CD-CE1 3.75Å
242	V	98.6	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.9	161.8	62.6	0	0	0	0	110.9	G165 I167 A234 I239 I254 A258 I263 P264 V265 T266	G165-V242 CarbonylContact O-C 3.57Å; G165-V242 WeakPolarHBondContact O-CA 3.37Å; I167-V242 HydrophobicContact CD1-CG2 4.39Å; A234-V242 HydrophobicContact CB-CG2 4.4Å; I239-V242 HydrophobicContact CD1-CB 4.09Å; V242-I254 HydrophobicContact CG1-CG2 3.79Å; V242-I254 HydrophobicContact CG2-CG2 4.04Å; V242-A258 HydrophobicContact CG1-CB 3.96Å; V242-I263 HydrophobicContact CG1-CD1 4.46Å; V242-P264 PolarHBondContact N-O 3.48Å; V242-V265 HydrophobicContact CG1-CB 4.36Å; V242-V265 HydrophobicContact CG1-CG1 3.63Å; V242-V265 WeakPolarHBondContact O-CA 3.18Å; V242-T266 PolarHBondContact O-N 3.47Å; V242-T266 VanDerWaalsContact O-N 3.12Å
243	A	98.6	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.8	168.9	0	0	0	0	0	108.9	G165 Q166 I167 K180 T266	G165-A243 PolarHBondContact O-N 3.38Å; Q166-A243 WeakPolarHBondContact CA-O 3.41Å; Q166-A243 HydrophobicContact CG-CB 4.38Å; I167-A243 PolarHBondContact N-O 3.23Å; K180-A243 HydrophobicContact CD-CB 4.04Å; A243-T266 WeakPolarHBondContact CA-O 3.45Å
244	F	98.6	Very high	97.9	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.053	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.9	-175.1	171.4	-95.4	0	0	0	110.5	I167 V250 I254 T266 L267 E268 L269	I167-F244 HydrophobicContact CB-CD2 3.85Å; I167-F244 HydrophobicContact CG2-CD2 3.69Å; I167-F244 HydrophobicContact CG2-CE2 3.97Å; I167-F244 WeakPolarHBondContact O-CA 3.23Å; F244-V250 HydrophobicContact CE1-CB 4.32Å; F244-V250 HydrophobicContact CE1-CG1 4.21Å; F244-V250 HydrophobicContact CE2-CB 4.45Å; F244-V250 HydrophobicContact CE2-CG1 3.61Å; F244-V250 HydrophobicContact CZ-CB 3.72Å; F244-V250 HydrophobicContact CZ-CG1 3.36Å; F244-I254 HydrophobicContact CB-CB 4.47Å; F244-I254 HydrophobicContact CB-CG1 4.19Å; F244-I254 HydrophobicContact CB-CG2 3.99Å; F244-I254 HydrophobicContact CD1-CG1 4.29Å; F244-I254 HydrophobicContact CD2-CD1 4.22Å; F244-I254 HydrophobicContact CD2-CG1 3.76Å; F244-I254 HydrophobicContact CE2-CG1 4.21Å; F244-I254 HydrophobicContact CG-CB 4.45Å; F244-I254 HydrophobicContact CG-CG1 3.81Å; F244-I254 HydrophobicContact CG-CG2 4.49Å; F244-T266 PolarHBondContact N-O 3.31Å; F244-L267 HydrophobicContact CB-CD2 4.01Å; F244-L267 HydrophobicContact CD1-CD2 4.26Å; F244-L267 WeakPolarHBondContact O-CA 3.25Å; F244-E268 PolarHBondContact O-N 2.89Å; F244-L269 HydrophobicContact CD1-CD2 3.72Å; F244-L269 HydrophobicContact CE1-CD2 3.66Å
245	T	98.6	Very high	97.8	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.7	165.9	-60.1	0	0	0	0	108.7	I167 P169 M176 K180 E268	I167-T245 PolarHBondContact O-N 2.82Å; P169-T245 HydrophobicContact CB-CG2 4.5Å; P169-T245 WeakPolarHBondContact CD-O 3.25Å; P169-T245 HydrophobicContact CG-CG2 3.69Å; M176-T245 HydrophobicContact SD-CG2 4.2Å; K180-T245 WeakPolarHBondContact CE-OG1 3.07Å; K180-T245 PolarHBondContact NZ-OG1 3.28Å; T245-E268 VanDerWaalsContact CA-O 3.23Å; T245-E268 WeakPolarHBondContact CA-O 3.48Å; T245-E268 HydrophobicContact CG2-CB 3.95Å; T245-E268 WeakPolarHBondContact CG2-O 3.34Å; T245-E268 WeakPolarHBondContact OG1-CB 3.49Å
246	G	97.5	Very high	97.7	Very high	23 Å²	23	48 Å²	48	24%	0.237	24%	0.242	C	C	.	.	S	Bend	trans	166.1	-154.9	-176.9	0	0	0	0	0	113	E268 L269	G246-E268 PolarHBondContact N-O 3.18Å; G246-E268 VanDerWaalsContact N-O 3.11Å; G246-L269 CarbonylContact O-C 3.47Å; G246-L269 VanDerWaalsContact O-CA 3.25Å; G246-L269 WeakPolarHBondContact O-CA 3.18Å
247	S	97	Very high	97.6	Very high	47 Å²	47	49.3 Å²	49.3	33%	0.329	25%	0.246	S	C	.	.			trans	-70.4	153.1	-177.9	69.4	0	0	0	0	112.5	E249 V250 G251	S247-E249 VanDerWaalsContact C-N 3.31Å; S247-E249 PolarHBondContact O-N 2.79Å; S247-V250 PolarHBondContact O-N 3.07Å; S247-V250 VanDerWaalsContact OG-CG2 3.31Å; S247-V250 WeakPolarHBondContact OG-CG2 3.34Å; S247-V250 PolarHBondContact OG-N 3.47Å; S247-G251 PolarHBondContact O-N 2.92Å
248	T	97.3	Very high	97.5	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-42.2	178.1	-63.7	0	0	0	0	112.5	V250 G251 Q252 L269 G270 Q479	T248-V250 PolarHBondContact O-N 3.07Å; T248-G251 PolarHBondContact O-N 2.81Å; T248-Q252 WeakPolarHBondContact O-CG 3.2Å; T248-Q252 PolarHBondContact O-N 2.75Å; T248-L269 HydrophobicContact CG2-CD1 4.47Å; T248-G270 PolarHBondContact OG1-N 3.4Å; T248-Q479 HydrophobicContact CG2-CB 4.04Å; T248-Q479 WeakPolarHBondContact CG2-O 3.27Å; T248-Q479 PolarHBondContact OG1-O 3.3Å
249	E	96.7	Very high	97.3	Very high	148 Å²	148	41.4 Å²	41.4	69%	0.692	22%	0.221	S	C	*	.	H	α-helix	trans	-60.7	-46	179.3	-64.6	164.4	177.8	0	0	111.9	S247 Q252 Q253	S247-E249 VanDerWaalsContact C-N 3.31Å; S247-E249 PolarHBondContact O-N 2.79Å; E249-Q252 PolarHBondContact O-N 2.87Å; E249-Q253 PolarHBondContact O-N 3.07Å
250	V	97.4	Very high	97	Very high	52 Å²	52	47.2 Å²	47.2	32%	0.315	25%	0.248	S	C	.	.	H	α-helix	trans	-70.3	-36.1	176.5	178.3	0	0	0	0	110.4	F244 S247 T248 Q252 Q253 I254	F244-V250 HydrophobicContact CE1-CB 4.32Å; F244-V250 HydrophobicContact CE1-CG1 4.21Å; F244-V250 HydrophobicContact CE2-CB 4.45Å; F244-V250 HydrophobicContact CE2-CG1 3.61Å; F244-V250 HydrophobicContact CZ-CB 3.72Å; F244-V250 HydrophobicContact CZ-CG1 3.36Å; S247-V250 PolarHBondContact O-N 3.07Å; S247-V250 VanDerWaalsContact OG-CG2 3.31Å; S247-V250 WeakPolarHBondContact OG-CG2 3.34Å; S247-V250 PolarHBondContact OG-N 3.47Å; T248-V250 PolarHBondContact O-N 3.07Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 3.12Å; V250-Q253 WeakPolarHBondContact O-CB 3.25Å; V250-Q253 PolarHBondContact O-N 3.04Å; V250-Q253 VanDerWaalsContact O-N 3.07Å; V250-I254 HydrophobicContact CG1-CG1 4.31Å; V250-I254 WeakPolarHBondContact O-CG1 3.32Å; V250-I254 PolarHBondContact O-N 3.1Å
251	G	97.8	Very high	96.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.3	-40.8	173.7	0	0	0	0	0	113.2	S247 T248 I254 M255	S247-G251 PolarHBondContact O-N 2.92Å; T248-G251 PolarHBondContact O-N 2.81Å; G251-I254 PolarHBondContact O-N 2.82Å; G251-M255 PolarHBondContact O-N 2.66Å
252	Q	97.1	Very high	96.7	Very high	96 Å²	96	54.9 Å²	54.9	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-42.8	173.9	-69.3	176.3	9	0	0	111.7	T248 E249 V250 M255 Q256	T248-Q252 WeakPolarHBondContact O-CG 3.2Å; T248-Q252 PolarHBondContact O-N 2.75Å; E249-Q252 PolarHBondContact O-N 2.87Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 3.12Å; Q252-M255 PolarHBondContact O-N 2.76Å; Q252-Q256 WeakPolarHBondContact O-CG 3.35Å; Q252-Q256 PolarHBondContact O-N 2.72Å
253	Q	97.5	Very high	96.6	Very high	87 Å²	87	56 Å²	56	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-45.2	175.2	-65.2	172.9	-4.5	0	0	111.5	E249 V250 M255 Q256 Y257	E249-Q253 PolarHBondContact O-N 3.07Å; V250-Q253 WeakPolarHBondContact O-CB 3.25Å; V250-Q253 PolarHBondContact O-N 3.04Å; V250-Q253 VanDerWaalsContact O-N 3.07Å; Q253-M255 VanDerWaalsContact C-N 3.27Å; Q253-M255 PolarHBondContact O-N 2.91Å; Q253-Q256 WeakPolarHBondContact O-CB 3.43Å; Q253-Q256 PolarHBondContact O-N 3.2Å; Q253-Q256 VanDerWaalsContact O-N 3.08Å; Q253-Y257 HydrophobicContact CB-CE2 3.92Å; Q253-Y257 VanDerWaalsContact O-CD2 3.23Å; Q253-Y257 WeakPolarHBondContact O-CD2 3.44Å; Q253-Y257 PolarHBondContact O-N 3.05Å
254	I	97.5	Very high	96.5	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-57.2	-41.6	175.9	-66	-64.1	0	0	0	111.3	I167 A234 V242 F244 V250 G251 Y257 A258 L267	I167-I254 HydrophobicContact CD1-CD1 3.8Å; A234-I254 HydrophobicContact CB-CD1 4Å; V242-I254 HydrophobicContact CG1-CG2 3.79Å; V242-I254 HydrophobicContact CG2-CG2 4.04Å; F244-I254 HydrophobicContact CB-CB 4.47Å; F244-I254 HydrophobicContact CB-CG1 4.19Å; F244-I254 HydrophobicContact CB-CG2 3.99Å; F244-I254 HydrophobicContact CD1-CG1 4.29Å; F244-I254 HydrophobicContact CD2-CD1 4.22Å; F244-I254 HydrophobicContact CD2-CG1 3.76Å; F244-I254 HydrophobicContact CE2-CG1 4.21Å; F244-I254 HydrophobicContact CG-CB 4.45Å; F244-I254 HydrophobicContact CG-CG1 3.81Å; F244-I254 HydrophobicContact CG-CG2 4.49Å; V250-I254 HydrophobicContact CG1-CG1 4.31Å; V250-I254 WeakPolarHBondContact O-CG1 3.32Å; V250-I254 PolarHBondContact O-N 3.1Å; G251-I254 PolarHBondContact O-N 2.82Å; I254-Y257 HydrophobicContact CD1-CD2 4.2Å; I254-Y257 PolarHBondContact O-N 3.46Å; I254-A258 WeakPolarHBondContact O-CB 3.46Å; I254-A258 PolarHBondContact O-N 2.95Å; I254-L267 HydrophobicContact CB-CD2 4.41Å; I254-L267 HydrophobicContact CG2-CD2 4.05Å
255	M	95.9	Very high	96.4	Very high	83 Å²	83	59.7 Å²	59.7	41%	0.409	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-39.5	176.6	-167	172.7	179.2	0	0	112.3	G251 Q252 Q253 A258 T259 V265 L267 I482	G251-M255 PolarHBondContact O-N 2.66Å; Q252-M255 PolarHBondContact O-N 2.76Å; Q253-M255 VanDerWaalsContact C-N 3.27Å; Q253-M255 PolarHBondContact O-N 2.91Å; M255-A258 PolarHBondContact O-N 3.46Å; M255-T259 PolarHBondContact O-N 3.35Å; M255-T259 VanDerWaalsContact O-N 3.07Å; M255-T259 PolarHBondContact O-OG1 3.34Å; M255-V265 HydrophobicContact CG-CG2 4.33Å; M255-L267 HydrophobicContact CB-CD1 4.24Å; M255-L267 HydrophobicContact SD-CD1 4.4Å; M255-I482 HydrophobicContact CE-CD1 4.23Å; M255-I482 HydrophobicContact SD-CD1 4.26Å
256	Q	97	Very high	96.4	Very high	125 Å²	125	59.2 Å²	59.2	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-63.7	-42.6	174.7	-68.9	170.5	-2.4	0	0	111.8	Q252 Q253 T259	Q252-Q256 WeakPolarHBondContact O-CG 3.35Å; Q252-Q256 PolarHBondContact O-N 2.72Å; Q253-Q256 WeakPolarHBondContact O-CB 3.43Å; Q253-Q256 PolarHBondContact O-N 3.2Å; Q253-Q256 VanDerWaalsContact O-N 3.08Å; Q256-T259 PolarHBondContact O-N 3.26Å
257	Y	96	Very high	96.4	Very high	39 Å²	39	58.3 Å²	58.3	15%	0.153	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-47.2	176	-59.6	-29.1	0	0	0	112	E231 A234 T235 Q253 I254 T259 Q260	E231-Y257 HydrophobicContact CB-CE2 4.02Å; E231-Y257 HydrophobicContact CG-CD1 4.42Å; E231-Y257 HydrophobicContact CG-CD2 4.21Å; E231-Y257 HydrophobicContact CG-CE1 4.01Å; E231-Y257 HydrophobicContact CG-CE2 3.81Å; A234-Y257 HydrophobicContact CB-CD2 4.06Å; A234-Y257 HydrophobicContact CB-CG 4.44Å; T235-Y257 HydrophobicContact CG2-CD1 3.77Å; T235-Y257 HydrophobicContact CG2-CG 3.74Å; Q253-Y257 HydrophobicContact CB-CE2 3.92Å; Q253-Y257 VanDerWaalsContact O-CD2 3.23Å; Q253-Y257 WeakPolarHBondContact O-CD2 3.44Å; Q253-Y257 PolarHBondContact O-N 3.05Å; I254-Y257 HydrophobicContact CD1-CD2 4.2Å; I254-Y257 PolarHBondContact O-N 3.46Å; Y257-T259 VanDerWaalsContact C-N 3.26Å; Y257-T259 PolarHBondContact O-N 3.05Å; Y257-Q260 WeakPolarHBondContact O-CB 3.3Å; Y257-Q260 WeakPolarHBondContact O-CG 3.38Å; Y257-Q260 PolarHBondContact O-N 3.27Å; Y257-Q260 VanDerWaalsContact O-N 3.16Å
258	A	94.4	Very high	96.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-32.7	178.8	0	0	0	0	0	112.9	V242 I254 M255 Q260 N261 I262 I263 V265	V242-A258 HydrophobicContact CG1-CB 3.96Å; I254-A258 WeakPolarHBondContact O-CB 3.46Å; I254-A258 PolarHBondContact O-N 2.95Å; M255-A258 PolarHBondContact O-N 3.46Å; A258-Q260 PolarHBondContact O-N 3.16Å; A258-N261 PolarHBondContact O-N 3.36Å; A258-N261 VanDerWaalsContact O-N 3.15Å; A258-I262 PolarHBondContact O-N 2.92Å; A258-I263 HydrophobicContact CB-CD1 4.34Å; A258-I263 HydrophobicContact CB-CG1 3.76Å; A258-I263 PolarHBondContact O-N 3.05Å; A258-V265 HydrophobicContact CB-CG1 3.28Å
259	T	94.7	Very high	96.5	Very high	93 Å²	93	56.2 Å²	56.2	57%	0.571	29%	0.285	S	S	*	.	H	α-helix	trans	-62.9	-28.2	178.5	-57.3	0	0	0	0	112.2	M255 Q256 Y257 N261 I262	M255-T259 PolarHBondContact O-N 3.35Å; M255-T259 VanDerWaalsContact O-N 3.07Å; M255-T259 PolarHBondContact O-OG1 3.34Å; Q256-T259 PolarHBondContact O-N 3.26Å; Y257-T259 VanDerWaalsContact C-N 3.26Å; Y257-T259 PolarHBondContact O-N 3.05Å; T259-N261 PolarHBondContact O-N 3.31Å; T259-I262 PolarHBondContact O-N 3.05Å
260	Q	92.8	Very high	96.5	Very high	128 Å²	128	49.2 Å²	49.2	60%	0.598	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.2	177.1	-60.6	-176.3	18.3	0	0	112.8	Y257 A258	Y257-Q260 WeakPolarHBondContact O-CB 3.3Å; Y257-Q260 WeakPolarHBondContact O-CG 3.38Å; Y257-Q260 PolarHBondContact O-N 3.27Å; Y257-Q260 VanDerWaalsContact O-N 3.16Å; A258-Q260 PolarHBondContact O-N 3.16Å
261	N	93.7	Very high	96.5	Very high	36 Å²	36	46.9 Å²	46.9	19%	0.193	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	3.2	-178.8	-58.6	-40.6	0	0	0	113.1	T235 S236 K237 A258 T259 I263	T235-N261 VanDerWaalsContact C-ND2 3.27Å; T235-N261 PolarHBondContact O-ND2 3.07Å; S236-N261 PolarHBondContact O-ND2 3.37Å; K237-N261 WeakPolarHBondContact CG-OD1 3.39Å; K237-N261 PolarHBondContact N-ND2 3.44Å; A258-N261 PolarHBondContact O-N 3.36Å; A258-N261 VanDerWaalsContact O-N 3.15Å; T259-N261 PolarHBondContact O-N 3.31Å; N261-I263 HydrophobicContact CB-CG2 4.1Å; N261-I263 PolarHBondContact O-N 2.92Å
262	I	95.3	Very high	96.6	Very high	156 Å²	156	47 Å²	47	80%	0.8	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	53.5	-178.2	-44.4	180	0	0	0	111	A258 T259	A258-I262 PolarHBondContact O-N 2.92Å; T259-I262 PolarHBondContact O-N 3.05Å
263	I	97.1	Very high	96.6	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.128	22%	0.219	C	C	.	.			trans	-107.6	146	176.8	64.3	176.6	0	0	0	111.4	I239 V242 A258 N261	I239-I263 HydrophobicContact CD1-CD1 3.63Å; I239-I263 HydrophobicContact CG1-CD1 3.75Å; V242-I263 HydrophobicContact CG1-CD1 4.46Å; A258-I263 HydrophobicContact CB-CD1 4.34Å; A258-I263 HydrophobicContact CB-CG1 3.76Å; A258-I263 PolarHBondContact O-N 3.05Å; N261-I263 HydrophobicContact CB-CG2 4.1Å; N261-I263 PolarHBondContact O-N 2.92Å
264	P	96.8	Very high	96.7	Very high	66 Å²	66	38.7 Å²	38.7	43%	0.429	20%	0.201	S	C	.	.			trans	-62.5	145.2	175.3	25.7	-36	0	0	0	112.1	L161 A240 K241 V242	L161-P264 HydrophobicContact CD1-CG 4.28Å; A240-P264 VanDerWaalsContact O-CD 3.29Å; A240-P264 WeakPolarHBondContact O-CD 3.28Å; K241-P264 HydrophobicContact CB-CG 4.16Å; K241-P264 HydrophobicContact CG-CG 4.47Å; V242-P264 PolarHBondContact N-O 3.48Å
265	V	97	Very high	96.8	Very high	22 Å²	22	38.4 Å²	38.4	13%	0.133	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.2	173.9	-56.5	0	0	0	0	110.9	V242 M255 A258 L267	V242-V265 HydrophobicContact CG1-CB 4.36Å; V242-V265 HydrophobicContact CG1-CG1 3.63Å; V242-V265 WeakPolarHBondContact O-CA 3.18Å; M255-V265 HydrophobicContact CG-CG2 4.33Å; A258-V265 HydrophobicContact CB-CG1 3.28Å; V265-L267 HydrophobicContact CB-CD2 4.24Å; V265-L267 HydrophobicContact CB-CG 4.26Å; V265-L267 HydrophobicContact CG2-CD1 4.12Å; V265-L267 HydrophobicContact CG2-CD2 4.44Å; V265-L267 HydrophobicContact CG2-CG 3.98Å
266	T	98.1	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.7	157.8	-61.5	0	0	0	0	106.9	K241 V242 A243 F244 I482 M490	K241-T266 PolarHBondContact NZ-OG1 2.83Å; V242-T266 PolarHBondContact O-N 3.47Å; V242-T266 VanDerWaalsContact O-N 3.12Å; A243-T266 WeakPolarHBondContact CA-O 3.45Å; F244-T266 PolarHBondContact N-O 3.31Å; T266-I482 CarbonylContact C-O 3.53Å; T266-I482 WeakPolarHBondContact CA-O 3.44Å; T266-M490 HydrophobicContact CG2-CE 3.99Å
267	L	98.2	Very high	97	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.7	-175.6	-57.6	179.4	0	0	0	108.5	F244 I254 M255 V265 L269 G481 I482	F244-L267 HydrophobicContact CB-CD2 4.01Å; F244-L267 HydrophobicContact CD1-CD2 4.26Å; F244-L267 WeakPolarHBondContact O-CA 3.25Å; I254-L267 HydrophobicContact CB-CD2 4.41Å; I254-L267 HydrophobicContact CG2-CD2 4.05Å; M255-L267 HydrophobicContact CB-CD1 4.24Å; M255-L267 HydrophobicContact SD-CD1 4.4Å; V265-L267 HydrophobicContact CB-CD2 4.24Å; V265-L267 HydrophobicContact CB-CG 4.26Å; V265-L267 HydrophobicContact CG2-CD1 4.12Å; V265-L267 HydrophobicContact CG2-CD2 4.44Å; V265-L267 HydrophobicContact CG2-CG 3.98Å; L267-L269 HydrophobicContact CB-CD1 4.07Å; L267-L269 HydrophobicContact CB-CD2 4.02Å; L267-L269 HydrophobicContact CB-CG 3.95Å; L267-L269 HydrophobicContact CD1-CD1 4.4Å; L267-G481 CarbonylContact O-C 3.4Å; L267-G481 WeakPolarHBondContact O-CA 3.24Å; L267-I482 PolarHBondContact N-O 3.24Å; L267-I482 PolarHBondContact O-N 3Å
268	E	98.2	Very high	97.1	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.019	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	103.7	170.6	-70.8	-63.7	136	0	0	107.8	F244 T245 G246 F474 G475 E485	F244-E268 PolarHBondContact O-N 2.89Å; T245-E268 VanDerWaalsContact CA-O 3.23Å; T245-E268 WeakPolarHBondContact CA-O 3.48Å; T245-E268 HydrophobicContact CG2-CB 3.95Å; T245-E268 WeakPolarHBondContact CG2-O 3.34Å; T245-E268 WeakPolarHBondContact OG1-CB 3.49Å; G246-E268 PolarHBondContact N-O 3.18Å; G246-E268 VanDerWaalsContact N-O 3.11Å; E268-F474 WeakPolarHBondContact OE2-CD1 3.37Å; E268-F474 WeakPolarHBondContact OE2-CE1 3.45Å; E268-G475 WeakPolarHBondContact OE1-CA 3.43Å; E268-G475 WeakPolarHBondContact OE2-CA 3.2Å; E268-E485 HydrophobicContact CG-CG 3.86Å
269	L	98.3	Very high	97.4	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.047	16%	0.155	C	C	.	.			trans	-110.7	-167	-162.7	-52.8	179	0	0	0	112.6	F244 G246 T248 L267 L436 S480	F244-L269 HydrophobicContact CD1-CD2 3.72Å; F244-L269 HydrophobicContact CE1-CD2 3.66Å; G246-L269 CarbonylContact O-C 3.47Å; G246-L269 VanDerWaalsContact O-CA 3.25Å; G246-L269 WeakPolarHBondContact O-CA 3.18Å; T248-L269 HydrophobicContact CG2-CD1 4.47Å; L267-L269 HydrophobicContact CB-CD1 4.07Å; L267-L269 HydrophobicContact CB-CD2 4.02Å; L267-L269 HydrophobicContact CB-CG 3.95Å; L267-L269 HydrophobicContact CD1-CD1 4.4Å; L269-L436 WeakPolarHBondContact O-CD2 3.35Å; L269-S480 PolarHBondContact N-O 3.04Å
270	G	96.6	Very high	97.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	13%	0.133	C	C	.	.			trans	-66.9	168.3	-177.3	0	0	0	0	0	113.8	T248 E408 Y434 S480	T248-G270 PolarHBondContact OG1-N 3.4Å; G270-E408 WeakPolarHBondContact CA-OE1 3.32Å; G270-E408 VanDerWaalsContact CA-OE2 3.27Å; G270-E408 WeakPolarHBondContact CA-OE2 3.18Å; G270-Y434 VanDerWaalsContact O-CD1 3.31Å; G270-Y434 WeakPolarHBondContact O-CD1 3.16Å; G270-S480 WeakPolarHBondContact O-CB 3.19Å; G270-S480 PolarHBondContact O-OG 2.92Å
271	G	97.6	Very high	97.8	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.031	11%	0.105	C	C	.	.			trans	-146.6	163.7	178.8	0	0	0	0	0	114.2	C307 E408	G271-C307 VanDerWaalsContact CA-O 3.3Å; G271-C307 WeakPolarHBondContact CA-O 3.48Å; G271-C307 PolarHBondContact N-O 3.37Å; G271-E408 PolarHBondContact N-OE1 2.72Å; G271-E408 WeakPolarHBondContact O-CB 3.38Å; G271-E408 WeakPolarHBondContact O-CG 3.47Å
272	K	98.2	Very high	98	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	10%	0.099	C	C	.	.			trans	-144.5	59.6	172.3	-164.5	57.1	177.3	-165.4	0	110.1	R312 V404 F405 E407 Y434	K272-R312 HydrophobicContact CD-CG 4.45Å; K272-R312 HydrophobicContact CG-CG 4.16Å; K272-R312 PolarHBondContact O-NE 3.17Å; K272-R312 PolarHBondContact O-NH2 2.98Å; K272-V404 WeakPolarHBondContact CE-O 3.41Å; K272-V404 PolarHBondContact NZ-O 2.62Å; K272-F405 VanDerWaalsContact CE-O 3.29Å; K272-F405 WeakPolarHBondContact CE-O 3.46Å; K272-F405 WeakPolarHBondContact CG-O 3.12Å; K272-E407 VanDerWaalsContact CD-O 3.26Å; K272-E407 WeakPolarHBondContact CD-O 3.4Å; K272-E407 WeakPolarHBondContact CE-O 3.06Å; K272-E407 PolarHBondContact NZ-O 3.12Å; K272-Y434 HydrophobicContact CB-CD2 3.48Å; K272-Y434 VanDerWaalsContact CB-CD2 3.48Å; K272-Y434 HydrophobicContact CB-CE2 4.12Å; K272-Y434 HydrophobicContact CB-CG 4.15Å
273	S	98.7	Very high	98.2	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.014	9%	0.089	C	C	.	.			trans	-65.4	127.2	-159.8	-50.8	0	0	0	0	112.5	T308 C309 S311 R312 G437 Y465	S273-T308 WeakPolarHBondContact OG-CA 3.3Å; S273-T308 PolarHBondContact OG-O 3.44Å; S273-C309 WeakPolarHBondContact CB-O 3.41Å; S273-S311 PolarHBondContact O-N 3.03Å; S273-R312 PolarHBondContact O-N 3.33Å; S273-G437 WeakPolarHBondContact CA-O 3.09Å; S273-G437 WeakPolarHBondContact CB-O 3.32Å; S273-G437 PolarHBondContact OG-O 3.09Å; S273-Y465 WeakPolarHBondContact CB-OH 3.48Å
274	P	98.8	Very high	98.2	Very high	6 Å²	6	20 Å²	20	4%	0.039	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	144.9	170.9	31.6	-32.7	0	0	0	111	I276 R312 L314 A429 A438 G439	P274-I276 HydrophobicContact CB-CG1 4.48Å; P274-R312 CarbonylContact C-O 3.59Å; P274-R312 WeakPolarHBondContact CA-O 3.44Å; P274-L314 HydrophobicContact CB-CD1 4.44Å; P274-A429 HydrophobicContact CB-CB 3.91Å; P274-A429 HydrophobicContact CG-CB 3.83Å; P274-A438 HydrophobicContact CG-CB 3.92Å; P274-A438 CarbonylContact O-C 3.59Å; P274-A438 VanDerWaalsContact O-CA 3.27Å; P274-A438 WeakPolarHBondContact O-CA 3.24Å; P274-G439 PolarHBondContact O-N 3.08Å
275	N	98.9	Very high	98.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	109.4	176.1	-163.2	15.9	0	0	0	108.3	F277 G295 P310 R312 A313 L314 W441	N275-F277 HydrophobicContact CB-CE2 4.08Å; N275-F277 VanDerWaalsContact ND2-CZ 3.35Å; N275-F277 WeakPolarHBondContact ND2-CZ 3.22Å; N275-F277 WeakPolarHBondContact O-CD2 3.44Å; N275-F277 WeakPolarHBondContact O-CE2 3.4Å; N275-G295 PolarHBondContact ND2-O 2.76Å; N275-P310 HydrophobicContact CB-CB 3.72Å; N275-P310 WeakPolarHBondContact ND2-CB 3.44Å; N275-R312 PolarHBondContact N-O 3.12Å; N275-A313 WeakPolarHBondContact O-CA 3.43Å; N275-L314 PolarHBondContact O-N 3.05Å; N275-W441 VanDerWaalsContact OD1-CD1 3.26Å; N275-W441 PolarHBondContact OD1-NE1 3.06Å
276	I	98.9	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.6	-161.3	-49.4	176.6	0	0	0	109.9	P274 F278 L314 F419 A425 A429 G439 W441 M451 I455	P274-I276 HydrophobicContact CB-CG1 4.48Å; I276-F278 HydrophobicContact CG2-CD2 4.16Å; I276-F278 HydrophobicContact CG2-CE2 3.61Å; I276-F278 HydrophobicContact CG2-CZ 4.06Å; I276-L314 CarbonylContact C-O 3.53Å; I276-L314 WeakPolarHBondContact CA-O 3.4Å; I276-L314 HydrophobicContact CD1-CD1 4.44Å; I276-L314 HydrophobicContact CG1-CB 4.33Å; I276-L314 HydrophobicContact CG1-CD1 4.15Å; I276-L314 HydrophobicContact CG1-CG 4.46Å; I276-L314 HydrophobicContact CG2-CB 4.41Å; I276-F419 HydrophobicContact CG2-CE1 3.63Å; I276-F419 HydrophobicContact CG2-CZ 3.73Å; I276-A425 HydrophobicContact CG2-CB 4.16Å; I276-A429 HydrophobicContact CD1-CB 3.79Å; I276-G439 PolarHBondContact N-O 2.84Å; I276-W441 PolarHBondContact O-N 2.89Å; I276-M451 HydrophobicContact CD1-CE 3.29Å; I276-M451 HydrophobicContact CG2-CE 4.3Å; I276-I455 HydrophobicContact CD1-CD1 3.68Å; I276-I455 HydrophobicContact CD1-CG1 4.31Å
277	F	98.9	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	106.4	-177.6	-59.5	-90.1	0	0	0	110.1	N275 A292 F296 A313 L314 V315 Q316 F323 W441	N275-F277 HydrophobicContact CB-CE2 4.08Å; N275-F277 VanDerWaalsContact ND2-CZ 3.35Å; N275-F277 WeakPolarHBondContact ND2-CZ 3.22Å; N275-F277 WeakPolarHBondContact O-CD2 3.44Å; N275-F277 WeakPolarHBondContact O-CE2 3.4Å; F277-A292 HydrophobicContact CD1-CB 4.47Å; F277-A292 HydrophobicContact CE1-CB 4.48Å; F277-A292 WeakPolarHBondContact CE1-O 3.06Å; F277-F296 HydrophobicContact CD2-CD2 4.35Å; F277-F296 HydrophobicContact CE1-CB 4.11Å; F277-F296 HydrophobicContact CE2-CB 4.28Å; F277-F296 AromaticContact CE2-CD2 3.77Å; F277-F296 HydrophobicContact CE2-CD2 3.77Å; F277-F296 HydrophobicContact CZ-CB 3.66Å; F277-F296 HydrophobicContact CZ-CD2 4.05Å; F277-F296 HydrophobicContact CZ-CG 4.35Å; F277-A313 HydrophobicContact CE2-CB 4.26Å; F277-L314 PolarHBondContact N-O 2.92Å; F277-V315 HydrophobicContact CB-CG2 4.44Å; F277-V315 HydrophobicContact CD2-CG2 4.17Å; F277-Q316 PolarHBondContact O-N 2.7Å; F277-F323 HydrophobicContact CB-CE2 4.43Å; F277-F323 HydrophobicContact CB-CZ 4.29Å; F277-F323 HydrophobicContact CD1-CE1 4.42Å; F277-F323 AromaticContact CD1-CE2 3.98Å; F277-F323 HydrophobicContact CD1-CE2 3.98Å; F277-F323 AromaticContact CD1-CZ 3.54Å; F277-F323 HydrophobicContact CD1-CZ 3.54Å; F277-F323 HydrophobicContact CD2-CZ 4.43Å; F277-F323 AromaticContact CE1-CZ 3.93Å; F277-F323 HydrophobicContact CE1-CZ 3.93Å; F277-F323 HydrophobicContact CG-CE1 4.32Å; F277-F323 HydrophobicContact CG-CE2 4.35Å; F277-F323 AromaticContact CG-CZ 3.82Å; F277-F323 HydrophobicContact CG-CZ 3.82Å; F277-W441 HydrophobicContact CD1-CB 3.72Å; F277-W441 AromaticContact CD1-CD1 3.59Å; F277-W441 HydrophobicContact CD1-CD2 4.47Å; F277-W441 AromaticContact CD1-CG 3.65Å; F277-W441 HydrophobicContact CD1-CG 3.65Å; F277-W441 HydrophobicContact CE1-CB 4.12Å; F277-W441 AromaticContact CE1-CD1 3.22Å; F277-W441 AromaticContact CE1-CD2 3.99Å; F277-W441 HydrophobicContact CE1-CD2 3.99Å; F277-W441 AromaticContact CE1-CG 3.51Å; F277-W441 HydrophobicContact CE1-CG 3.51Å; F277-W441 AromaticContact CE1-NE1 3.56Å; F277-W441 HydrophobicContact CG-CB 4.46Å; F277-W441 AromaticContact CZ-CD1 3.6Å; F277-W441 HydrophobicContact CZ-CG 4.32Å; F277-W441 AromaticContact CZ-NE1 3.68Å
278	F	98.9	Very high	98.2	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	17%	0.172	C	C	.	.			trans	-79.5	157.5	175.6	-74.9	-84.6	0	0	0	111.8	I276 D280 V281 F419 M422 A425 V440 W441 L447 M451	I276-F278 HydrophobicContact CG2-CD2 4.16Å; I276-F278 HydrophobicContact CG2-CE2 3.61Å; I276-F278 HydrophobicContact CG2-CZ 4.06Å; F278-D280 VanDerWaalsContact CB-OD1 3.25Å; F278-D280 WeakPolarHBondContact CB-OD1 3.34Å; F278-D280 PolarHBondContact O-N 3.48Å; F278-D280 VanDerWaalsContact O-N 3.16Å; F278-V281 WeakPolarHBondContact O-CG1 2.89Å; F278-V281 WeakPolarHBondContact O-CG2 3.11Å; F278-V281 PolarHBondContact O-N 3.16Å; F278-V281 VanDerWaalsContact O-N 3.15Å; F278-F419 AromaticContact CD1-CE2 3.77Å; F278-F419 HydrophobicContact CD1-CE2 3.77Å; F278-F419 AromaticContact CD1-CZ 3.82Å; F278-F419 HydrophobicContact CD1-CZ 3.82Å; F278-F419 AromaticContact CE1-CE2 3.52Å; F278-F419 HydrophobicContact CE1-CE2 3.52Å; F278-F419 AromaticContact CE1-CZ 3.8Å; F278-F419 HydrophobicContact CE1-CZ 3.8Å; F278-F419 HydrophobicContact CE2-CZ 4.49Å; F278-F419 HydrophobicContact CG-CZ 4.22Å; F278-F419 HydrophobicContact CZ-CE2 4.15Å; F278-F419 HydrophobicContact CZ-CZ 4.14Å; F278-M422 HydrophobicContact CE1-CB 4.32Å; F278-M422 HydrophobicContact CZ-CG 4.32Å; F278-A425 HydrophobicContact CZ-CB 4.25Å; F278-V440 HydrophobicContact CE2-CG1 4.38Å; F278-W441 PolarHBondContact N-O 3.21Å; F278-W441 VanDerWaalsContact N-O 3.09Å; F278-L447 HydrophobicContact CB-CD2 4.11Å; F278-L447 HydrophobicContact CD1-CD1 4.35Å; F278-L447 HydrophobicContact CD1-CD2 3.62Å; F278-L447 HydrophobicContact CD1-CG 4.29Å; F278-L447 HydrophobicContact CD2-CD2 4.16Å; F278-L447 HydrophobicContact CD2-CG 4.33Å; F278-L447 HydrophobicContact CE1-CD1 3.9Å; F278-L447 HydrophobicContact CE1-CD2 4.04Å; F278-L447 HydrophobicContact CE1-CG 4.28Å; F278-L447 HydrophobicContact CE2-CD1 4.44Å; F278-L447 HydrophobicContact CE2-CG 4.35Å; F278-L447 HydrophobicContact CG-CD2 3.67Å; F278-L447 HydrophobicContact CG-CG 4.3Å; F278-L447 HydrophobicContact CZ-CD1 3.96Å; F278-L447 HydrophobicContact CZ-CG 4.32Å; F278-M451 HydrophobicContact CE2-CE 4.15Å; F278-M451 HydrophobicContact CE2-CG 3.6Å; F278-M451 HydrophobicContact CE2-SD 4.18Å; F278-M451 HydrophobicContact CZ-CE 3.93Å; F278-M451 HydrophobicContact CZ-CG 3.58Å; F278-M451 HydrophobicContact CZ-SD 3.67Å
279	A	98.8	Very high	98.2	Very high	22 Å²	22	31.5 Å²	31.5	18%	0.182	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-56.1	-34.6	-176.1	0	0	0	0	0	113.1	V281 M282 Q316 I319	A279-V281 PolarHBondContact O-N 2.77Å; A279-V281 VanDerWaalsContact O-N 3.15Å; A279-M282 PolarHBondContact O-N 2.64Å; A279-Q316 HydrophobicContact CB-CB 4.44Å; A279-Q316 HydrophobicContact CB-CG 4.44Å; A279-Q316 VanDerWaalsContact CB-OE1 3.27Å; A279-I319 HydrophobicContact CB-CG2 3.68Å
280	D	98.6	Very high	98.2	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.112	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-65.9	-15.2	-176.8	68.4	-27.4	0	0	0	113.5	F278 M282 D283 S442 R443 N444	F278-D280 VanDerWaalsContact CB-OD1 3.25Å; F278-D280 WeakPolarHBondContact CB-OD1 3.34Å; F278-D280 PolarHBondContact O-N 3.48Å; F278-D280 VanDerWaalsContact O-N 3.16Å; D280-M282 PolarHBondContact O-N 2.83Å; D280-D283 WeakPolarHBondContact CB-OD2 3.16Å; D280-D283 WeakPolarHBondContact O-CB 3.26Å; D280-D283 PolarHBondContact O-N 3.34Å; D280-D283 VanDerWaalsContact O-N 3.14Å; D280-S442 WeakPolarHBondContact OD1-CA 3.04Å; D280-S442 PolarHBondContact OD1-OG 2.84Å; D280-S442 PolarHBondContact OD2-OG 2.95Å; D280-R443 HydrophobicContact CB-CB 4.49Å; D280-R443 WeakPolarHBondContact O-CD 3.37Å; D280-R443 WeakPolarHBondContact O-CG 3.39Å; D280-R443 PolarHBondContact O-NE 3.41Å; D280-R443 WeakPolarHBondContact OD2-CA 3.4Å; D280-R443 PolarHBondContact OD2-N 3.39Å; D280-N444 WeakPolarHBondContact OD2-CB 3.25Å; D280-N444 PolarHBondContact OD2-N 2.85Å
281	V	98.7	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.9	169.9	-55	0	0	0	0	111.8	F278 A279 F288 F289 A292 I319 F323 W441 R443	F278-V281 WeakPolarHBondContact O-CG1 2.89Å; F278-V281 WeakPolarHBondContact O-CG2 3.11Å; F278-V281 PolarHBondContact O-N 3.16Å; F278-V281 VanDerWaalsContact O-N 3.15Å; A279-V281 PolarHBondContact O-N 2.77Å; A279-V281 VanDerWaalsContact O-N 3.15Å; V281-F288 HydrophobicContact CB-CE1 4.23Å; V281-F288 HydrophobicContact CG1-CE1 4.07Å; V281-F289 HydrophobicContact CG2-CD2 4.48Å; V281-A292 HydrophobicContact CB-CB 4.35Å; V281-I319 HydrophobicContact CG2-CD1 3.83Å; V281-F323 HydrophobicContact CG2-CD2 4.11Å; V281-F323 HydrophobicContact CG2-CE2 4.01Å; V281-W441 HydrophobicContact CG1-CB 3.82Å; V281-W441 WeakPolarHBondContact CG1-O 3.36Å; V281-R443 PolarHBondContact O-NH2 2.91Å
282	M	98.3	Very high	98.4	Very high	15 Å²	15	38.9 Å²	38.9	7%	0.074	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-98.8	12.1	179.9	-64.2	-161.3	71.9	0	0	114.3	A279 D280 E284 F289 I319 R322 F323	A279-M282 PolarHBondContact O-N 2.64Å; D280-M282 PolarHBondContact O-N 2.83Å; M282-E284 PolarHBondContact O-N 3.5Å; M282-F289 HydrophobicContact CE-CE1 4.03Å; M282-F289 HydrophobicContact CE-CE2 4.19Å; M282-F289 HydrophobicContact CE-CZ 3.57Å; M282-F289 HydrophobicContact CG-CD2 4.01Å; M282-F289 HydrophobicContact CG-CE2 3.56Å; M282-F289 HydrophobicContact CG-CZ 3.95Å; M282-F289 HydrophobicContact SD-CE2 4.17Å; M282-F289 HydrophobicContact SD-CZ 4.1Å; M282-I319 HydrophobicContact CB-CG2 4.37Å; M282-I319 HydrophobicContact CG-CB 4.44Å; M282-I319 HydrophobicContact CG-CD1 4.08Å; M282-I319 HydrophobicContact SD-CB 3.86Å; M282-I319 HydrophobicContact SD-CD1 4.26Å; M282-I319 HydrophobicContact SD-CG2 4.35Å; M282-R322 HydrophobicContact CE-CB 3.78Å; M282-R322 HydrophobicContact SD-CB 4.13Å; M282-F323 HydrophobicContact CG-CD2 4.26Å; M282-F323 HydrophobicContact SD-CB 3.78Å; M282-F323 HydrophobicContact SD-CD2 4.2Å
283	D	98.5	Very high	98.4	Very high	110 Å²	110	39.4 Å²	39.4	59%	0.588	21%	0.21	S	C	*	.	S	Bend	trans	-60.2	-33.1	174.8	-76.3	-9.3	0	0	0	111.5	D280	D280-D283 WeakPolarHBondContact CB-OD2 3.16Å; D280-D283 WeakPolarHBondContact O-CB 3.26Å; D280-D283 PolarHBondContact O-N 3.34Å; D280-D283 VanDerWaalsContact O-N 3.14Å
284	E	97.5	Very high	98.4	Very high	126 Å²	126	44.2 Å²	44.2	59%	0.589	23%	0.233	S	C	*	.	S	Bend	trans	-136.4	140.5	177.3	-63.5	-65.8	168	0	0	110.3	M282 D286 F289 R443	M282-E284 PolarHBondContact O-N 3.5Å; E284-D286 HydrophobicContact CB-CB 4.34Å; E284-D286 PolarHBondContact O-N 3.32Å; E284-D286 VanDerWaalsContact O-N 3.09Å; E284-F289 WeakPolarHBondContact O-CB 3.41Å; E284-R443 PolarHBondContact O-NH2 3.35Å
285	E	95.1	Very high	98.4	Very high	140 Å²	140	44 Å²	44	65%	0.654	23%	0.231	S	C	*	.			trans	-85.6	65.4	172.9	-66.5	-163.8	170.8	0	0	111	F289 R326	E285-F289 HydrophobicContact CG-CD1 4.34Å; E285-R326 IonicContact OE1-CZ 3.17Å; E285-R326 IonicContact OE1-NE 3.04Å; E285-R326 IonicContact OE1-NH2 2.67Å; E285-R326 PolarHBondContact OE1-NH2 2.78Å
286	D	97.8	Very high	98.4	Very high	67 Å²	67	43.9 Å²	43.9	36%	0.358	23%	0.231	S	C	.	.	S	Bend	trans	-114.8	-171.7	-174.5	68.9	5	0	0	0	112.9	E284 F288 F289 D290 R443	E284-D286 HydrophobicContact CB-CB 4.34Å; E284-D286 PolarHBondContact O-N 3.32Å; E284-D286 VanDerWaalsContact O-N 3.09Å; D286-F288 PolarHBondContact O-N 3.07Å; D286-F288 WeakPolarHBondContact OD1-CA 3.34Å; D286-F288 WeakPolarHBondContact OD1-CB 3.28Å; D286-F288 PolarHBondContact OD1-N 2.86Å; D286-F289 PolarHBondContact O-N 3.1Å; D286-F289 VanDerWaalsContact O-N 3.16Å; D286-F289 PolarHBondContact OD1-N 2.86Å; D286-D290 PolarHBondContact O-N 2.73Å; D286-R443 IonicContact OD1-CZ 3.12Å; D286-R443 IonicContact OD1-NH1 3.59Å; D286-R443 PolarHBondContact OD1-NH1 3.44Å; D286-R443 IonicContact OD1-NH2 2.7Å; D286-R443 PolarHBondContact OD1-NH2 2.99Å; D286-R443 IonicContact OD2-CZ 2.62Å; D286-R443 IonicContact OD2-NH1 2.7Å; D286-R443 PolarHBondContact OD2-NH1 2.9Å; D286-R443 IonicContact OD2-NH2 3.5Å; D286-R443 PolarHBondContact OD2-NH2 2.96Å
287	A	98.4	Very high	98.4	Very high	85 Å²	85	44.5 Å²	44.5	70%	0.702	24%	0.236	S	C	*	.	H	α-helix	trans	-61.3	-25.9	177.8	0	0	0	0	0	113.5	K291	A287-K291 WeakPolarHBondContact O-CB 3.4Å; A287-K291 PolarHBondContact O-N 3.08Å
288	F	98.6	Very high	98.4	Very high	38 Å²	38	46.5 Å²	46.5	17%	0.167	25%	0.247	C	C	.	.	H	α-helix	trans	-73.4	-40.3	175.8	177.1	-98.8	0	0	0	111.2	V281 D286 D290 K291 A292 R443 N463	V281-F288 HydrophobicContact CB-CE1 4.23Å; V281-F288 HydrophobicContact CG1-CE1 4.07Å; D286-F288 PolarHBondContact O-N 3.07Å; D286-F288 WeakPolarHBondContact OD1-CA 3.34Å; D286-F288 WeakPolarHBondContact OD1-CB 3.28Å; D286-F288 PolarHBondContact OD1-N 2.86Å; F288-D290 VanDerWaalsContact C-N 3.34Å; F288-K291 WeakPolarHBondContact O-CB 3.29Å; F288-K291 PolarHBondContact O-N 2.94Å; F288-A292 PolarHBondContact O-N 3.03Å; F288-R443 HydrophobicContact CD1-CG 3.73Å; F288-R443 VanDerWaalsContact CD1-CZ 3.43Å; F288-R443 HydrophobicContact CE1-CG 3.49Å; F288-R443 VanDerWaalsContact CE1-CG 3.49Å; F288-R443 HydrophobicContact CZ-CG 4.3Å; F288-N463 HydrophobicContact CE2-CB 3.9Å; F288-N463 HydrophobicContact CZ-CB 4.48Å; F288-N463 WeakPolarHBondContact CZ-OD1 3.36Å
289	F	98.7	Very high	98.4	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.039	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-42.6	173.9	179.6	-134.1	0	0	0	111.4	V281 M282 E284 E285 D286 K291 A292 L293 F323 R326	V281-F289 HydrophobicContact CG2-CD2 4.48Å; M282-F289 HydrophobicContact CE-CE1 4.03Å; M282-F289 HydrophobicContact CE-CE2 4.19Å; M282-F289 HydrophobicContact CE-CZ 3.57Å; M282-F289 HydrophobicContact CG-CD2 4.01Å; M282-F289 HydrophobicContact CG-CE2 3.56Å; M282-F289 HydrophobicContact CG-CZ 3.95Å; M282-F289 HydrophobicContact SD-CE2 4.17Å; M282-F289 HydrophobicContact SD-CZ 4.1Å; E284-F289 WeakPolarHBondContact O-CB 3.41Å; E285-F289 HydrophobicContact CG-CD1 4.34Å; D286-F289 PolarHBondContact O-N 3.1Å; D286-F289 VanDerWaalsContact O-N 3.16Å; D286-F289 PolarHBondContact OD1-N 2.86Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 2.77Å; F289-A292 WeakPolarHBondContact O-CB 3.5Å; F289-A292 PolarHBondContact O-N 3.48Å; F289-A292 VanDerWaalsContact O-N 3.1Å; F289-L293 HydrophobicContact CD1-CD1 4.45Å; F289-L293 HydrophobicContact CD2-CG 4.34Å; F289-L293 HydrophobicContact CE1-CD1 4.02Å; F289-L293 HydrophobicContact CE2-CD1 4.17Å; F289-L293 HydrophobicContact CE2-CD2 3.94Å; F289-L293 HydrophobicContact CE2-CG 3.89Å; F289-L293 HydrophobicContact CZ-CD1 3.85Å; F289-L293 HydrophobicContact CZ-CD2 4.04Å; F289-L293 HydrophobicContact CZ-CG 4.04Å; F289-L293 WeakPolarHBondContact O-CG 3.23Å; F289-L293 PolarHBondContact O-N 3.02Å; F289-F323 AromaticContact CE2-CD2 3.77Å; F289-F323 HydrophobicContact CE2-CD2 3.77Å; F289-F323 AromaticContact CE2-CE2 3.95Å; F289-F323 HydrophobicContact CE2-CE2 3.95Å; F289-R326 VanDerWaalsContact CZ-CD 3.42Å
290	D	98.6	Very high	98.4	Very high	80 Å²	80	45.5 Å²	45.5	43%	0.428	24%	0.239	S	C	.	.	H	α-helix	trans	-57.8	-44.1	173.7	-164	78.5	0	0	0	112.2	D286 F288 A292 L293 E294 R330	D286-D290 PolarHBondContact O-N 2.73Å; F288-D290 VanDerWaalsContact C-N 3.34Å; D290-A292 VanDerWaalsContact C-N 3.33Å; D290-A292 PolarHBondContact O-N 3.23Å; D290-L293 WeakPolarHBondContact O-CB 3.29Å; D290-L293 PolarHBondContact O-N 2.92Å; D290-E294 PolarHBondContact O-N 3.11Å; D290-R330 IonicContact OD1-CZ 2.8Å; D290-R330 IonicContact OD1-NH2 2.75Å; D290-R330 PolarHBondContact OD1-NH2 2.74Å; D290-R330 IonicContact OD2-CZ 2.73Å; D290-R330 IonicContact OD2-NH1 3.25Å; D290-R330 IonicContact OD2-NH2 2.79Å; D290-R330 PolarHBondContact OD2-NH2 3.32Å
291	K	98.6	Very high	98.3	Very high	89 Å²	89	46.1 Å²	46.1	39%	0.387	24%	0.241	S	C	.	.	H	α-helix	trans	-62.3	-37	174.7	-168.8	-169.9	-174.7	-173.5	0	112.6	A287 F288 F289 E294 G295 W441 N463	A287-K291 WeakPolarHBondContact O-CB 3.4Å; A287-K291 PolarHBondContact O-N 3.08Å; F288-K291 WeakPolarHBondContact O-CB 3.29Å; F288-K291 PolarHBondContact O-N 2.94Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 2.77Å; K291-E294 WeakPolarHBondContact O-CB 3.26Å; K291-E294 PolarHBondContact O-N 3.11Å; K291-G295 PolarHBondContact O-N 2.77Å; K291-W441 HydrophobicContact CD-CZ3 4.31Å; K291-W441 HydrophobicContact CG-CH2 4.43Å; K291-W441 HydrophobicContact CG-CZ3 4.03Å; K291-W441 WeakPolarHBondContact O-CZ3 3.4Å; K291-N463 VanDerWaalsContact CE-O 3.24Å; K291-N463 WeakPolarHBondContact CE-O 3.08Å; K291-N463 PolarHBondContact NZ-O 2.99Å
292	A	98.8	Very high	98.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-39	175.3	0	0	0	0	0	111.6	F277 V281 F288 F289 D290 E294 G295 F296 W441	F277-A292 HydrophobicContact CD1-CB 4.47Å; F277-A292 HydrophobicContact CE1-CB 4.48Å; F277-A292 WeakPolarHBondContact CE1-O 3.06Å; V281-A292 HydrophobicContact CB-CB 4.35Å; F288-A292 PolarHBondContact O-N 3.03Å; F289-A292 WeakPolarHBondContact O-CB 3.5Å; F289-A292 PolarHBondContact O-N 3.48Å; F289-A292 VanDerWaalsContact O-N 3.1Å; D290-A292 VanDerWaalsContact C-N 3.33Å; D290-A292 PolarHBondContact O-N 3.23Å; A292-E294 VanDerWaalsContact C-N 3.34Å; A292-G295 CarbonylContact O-C 3.58Å; A292-G295 WeakPolarHBondContact O-CA 3.35Å; A292-G295 PolarHBondContact O-N 3.08Å; A292-G295 VanDerWaalsContact O-N 3.17Å; A292-F296 PolarHBondContact O-N 3.26Å; A292-W441 HydrophobicContact CB-CD2 4.34Å; A292-W441 HydrophobicContact CB-CE3 3.85Å; A292-W441 HydrophobicContact CB-CZ3 4.41Å
293	L	98.8	Very high	98.3	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-38.3	173.1	-65.8	173	0	0	0	111.9	F289 D290 F296 A297 F323 R326 A327 R330	F289-L293 HydrophobicContact CD1-CD1 4.45Å; F289-L293 HydrophobicContact CD2-CG 4.34Å; F289-L293 HydrophobicContact CE1-CD1 4.02Å; F289-L293 HydrophobicContact CE2-CD1 4.17Å; F289-L293 HydrophobicContact CE2-CD2 3.94Å; F289-L293 HydrophobicContact CE2-CG 3.89Å; F289-L293 HydrophobicContact CZ-CD1 3.85Å; F289-L293 HydrophobicContact CZ-CD2 4.04Å; F289-L293 HydrophobicContact CZ-CG 4.04Å; F289-L293 WeakPolarHBondContact O-CG 3.23Å; F289-L293 PolarHBondContact O-N 3.02Å; D290-L293 WeakPolarHBondContact O-CB 3.29Å; D290-L293 PolarHBondContact O-N 2.92Å; L293-F296 WeakPolarHBondContact O-CB 3.29Å; L293-F296 PolarHBondContact O-N 2.72Å; L293-A297 PolarHBondContact O-N 3.04Å; L293-A297 VanDerWaalsContact O-N 3.11Å; L293-F323 HydrophobicContact CD2-CD2 4.36Å; L293-F323 HydrophobicContact CD2-CE1 4.46Å; L293-F323 HydrophobicContact CD2-CE2 4Å; L293-F323 HydrophobicContact CD2-CZ 4.05Å; L293-R326 HydrophobicContact CD1-CB 3.88Å; L293-R326 HydrophobicContact CD2-CB 3.99Å; L293-A327 HydrophobicContact CD2-CB 3.98Å; L293-R330 WeakPolarHBondContact O-CD 3.32Å
294	E	98.6	Very high	98.3	Very high	103 Å²	103	40.2 Å²	40.2	48%	0.481	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-48.5	168.4	-170.3	173.9	-126.1	0	0	111.1	D290 K291 A292 F296 A297 L298	D290-E294 PolarHBondContact O-N 3.11Å; K291-E294 WeakPolarHBondContact O-CB 3.26Å; K291-E294 PolarHBondContact O-N 3.11Å; A292-E294 VanDerWaalsContact C-N 3.34Å; E294-F296 PolarHBondContact O-N 3.38Å; E294-A297 CarbonylContact O-C 3.58Å; E294-A297 WeakPolarHBondContact O-CA 3.44Å; E294-A297 PolarHBondContact O-N 3.04Å; E294-L298 WeakPolarHBondContact O-CG 3.39Å; E294-L298 PolarHBondContact O-N 3.04Å
295	G	98.7	Very high	98.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-52.4	-36.2	175	0	0	0	0	0	114.4	N275 K291 A292	N275-G295 PolarHBondContact ND2-O 2.76Å; K291-G295 PolarHBondContact O-N 2.77Å; A292-G295 CarbonylContact O-C 3.58Å; A292-G295 WeakPolarHBondContact O-CA 3.35Å; A292-G295 PolarHBondContact O-N 3.08Å; A292-G295 VanDerWaalsContact O-N 3.17Å
296	F	98.9	Very high	98.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.9	-45.6	172.2	-178.3	-84.6	0	0	0	111.6	F277 A292 L293 E294 L298 F299 A313 V315 F323 M324 A327 V331 I395 L414 V416	F277-F296 HydrophobicContact CD2-CD2 4.35Å; F277-F296 HydrophobicContact CE1-CB 4.11Å; F277-F296 HydrophobicContact CE2-CB 4.28Å; F277-F296 AromaticContact CE2-CD2 3.77Å; F277-F296 HydrophobicContact CE2-CD2 3.77Å; F277-F296 HydrophobicContact CZ-CB 3.66Å; F277-F296 HydrophobicContact CZ-CD2 4.05Å; F277-F296 HydrophobicContact CZ-CG 4.35Å; A292-F296 PolarHBondContact O-N 3.26Å; L293-F296 WeakPolarHBondContact O-CB 3.29Å; L293-F296 PolarHBondContact O-N 2.72Å; E294-F296 PolarHBondContact O-N 3.38Å; F296-L298 PolarHBondContact O-N 3.01Å; F296-F299 WeakPolarHBondContact O-CD1 3.31Å; F296-A313 HydrophobicContact CD2-CB 3.94Å; F296-A313 HydrophobicContact CE2-CB 3.53Å; F296-A313 HydrophobicContact CZ-CB 4.45Å; F296-V315 HydrophobicContact CE2-CG2 4.45Å; F296-F323 HydrophobicContact CB-CE1 4.29Å; F296-F323 HydrophobicContact CB-CZ 4.22Å; F296-F323 AromaticContact CD2-CE1 3.63Å; F296-F323 HydrophobicContact CD2-CE1 3.63Å; F296-F323 HydrophobicContact CD2-CZ 4.27Å; F296-F323 HydrophobicContact CE2-CE1 4.16Å; F296-F323 HydrophobicContact CG-CE1 4.08Å; F296-F323 HydrophobicContact CG-CZ 4.49Å; F296-M324 HydrophobicContact CE2-CE 4.42Å; F296-M324 HydrophobicContact CE2-SD 3.87Å; F296-M324 HydrophobicContact CZ-CE 3.78Å; F296-M324 HydrophobicContact CZ-SD 3.81Å; F296-A327 HydrophobicContact CD1-CB 3.65Å; F296-A327 HydrophobicContact CE1-CB 3.75Å; F296-A327 HydrophobicContact CG-CB 4.06Å; F296-A327 HydrophobicContact CZ-CB 4.23Å; F296-V331 HydrophobicContact CD1-CG2 4.36Å; F296-V331 HydrophobicContact CE1-CG2 4.32Å; F296-I395 HydrophobicContact CE1-CD1 3.85Å; F296-I395 HydrophobicContact CZ-CD1 4.3Å; F296-L414 HydrophobicContact CD1-CD2 4.06Å; F296-L414 HydrophobicContact CD2-CD2 4.23Å; F296-L414 HydrophobicContact CE1-CD2 3.47Å; F296-L414 VanDerWaalsContact CE1-CD2 3.47Å; F296-L414 HydrophobicContact CE2-CD2 3.69Å; F296-L414 HydrophobicContact CG-CD2 4.41Å; F296-L414 HydrophobicContact CZ-CD2 3.27Å; F296-L414 HydrophobicContact CZ-CG 4.49Å; F296-V416 HydrophobicContact CE2-CG2 4.28Å; F296-V416 HydrophobicContact CZ-CG2 3.99Å
297	A	98.7	Very high	98.5	Very high	13 Å²	13	25.5 Å²	25.5	11%	0.107	14%	0.141	C	C	.	.	H	α-helix	trans	-71.9	-12.4	-178.8	0	0	0	0	0	114.4	L293 E294 F299 A300 R330 V331	L293-A297 PolarHBondContact O-N 3.04Å; L293-A297 VanDerWaalsContact O-N 3.11Å; E294-A297 CarbonylContact O-C 3.58Å; E294-A297 WeakPolarHBondContact O-CA 3.44Å; E294-A297 PolarHBondContact O-N 3.04Å; A297-F299 PolarHBondContact O-N 3.18Å; A297-A300 PolarHBondContact O-N 3.31Å; A297-A300 VanDerWaalsContact O-N 3.08Å; A297-R330 HydrophobicContact CB-CG 4.17Å; A297-V331 HydrophobicContact CB-CG2 4.02Å
298	L	98.7	Very high	98.5	Very high	42 Å²	42	21.5 Å²	21.5	22%	0.22	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-63.5	-8.2	-179.1	-79	176.7	0	0	0	114.8	E294 F296 A300 F301 P310 H466	E294-L298 WeakPolarHBondContact O-CG 3.39Å; E294-L298 PolarHBondContact O-N 3.04Å; F296-L298 PolarHBondContact O-N 3.01Å; L298-A300 PolarHBondContact O-N 2.72Å; L298-A300 VanDerWaalsContact O-N 3.15Å; L298-F301 HydrophobicContact CD2-CB 4.43Å; L298-F301 VanDerWaalsContact O-CB 3.27Å; L298-F301 WeakPolarHBondContact O-CB 3.3Å; L298-F301 PolarHBondContact O-N 3.03Å; L298-F301 VanDerWaalsContact O-N 3.08Å; L298-P310 HydrophobicContact CB-CG 4.31Å; L298-H466 PolarHBondContact O-NE2 3.03Å
299	F	98.7	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-61.7	-17.4	168.2	80.5	-85.6	0	0	0	113.2	F296 A297 G304 C309 P310 V331 P393 I395 P412 L414	F296-F299 WeakPolarHBondContact O-CD1 3.31Å; A297-F299 PolarHBondContact O-N 3.18Å; F299-G304 WeakPolarHBondContact O-CA 3.41Å; F299-G304 PolarHBondContact O-N 3.37Å; F299-C309 PolarHBondContact O-SG 3.14Å; F299-P310 HydrophobicContact CB-CG 4.2Å; F299-V331 HydrophobicContact CE1-CG1 4.19Å; F299-V331 HydrophobicContact CE1-CG2 3.73Å; F299-V331 HydrophobicContact CZ-CG1 3.86Å; F299-V331 HydrophobicContact CZ-CG2 4.26Å; F299-P393 HydrophobicContact CE2-CB 4.24Å; F299-P393 HydrophobicContact CZ-CB 4.11Å; F299-I395 HydrophobicContact CE1-CG1 4.43Å; F299-I395 HydrophobicContact CZ-CG1 4.13Å; F299-P412 HydrophobicContact CE2-CB 4.46Å; F299-P412 WeakPolarHBondContact CE2-O 3.41Å; F299-L414 HydrophobicContact CB-CB 4.4Å; F299-L414 HydrophobicContact CB-CD1 4.44Å; F299-L414 HydrophobicContact CD1-CB 3.88Å; F299-L414 HydrophobicContact CD1-CD2 3.71Å; F299-L414 HydrophobicContact CD1-CG 4.31Å; F299-L414 HydrophobicContact CD2-CB 3.81Å; F299-L414 HydrophobicContact CE1-CB 4.02Å; F299-L414 HydrophobicContact CE1-CD2 3.93Å; F299-L414 HydrophobicContact CE2-CB 3.96Å; F299-L414 HydrophobicContact CG-CB 3.76Å; F299-L414 HydrophobicContact CG-CD2 4.3Å; F299-L414 HydrophobicContact CG-CG 4.45Å; F299-L414 HydrophobicContact CZ-CB 4.06Å
300	A	98.3	Very high	98.5	Very high	5 Å²	5	19.5 Å²	19.5	4%	0.041	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-89.5	-6.8	176.4	0	0	0	0	0	113.8	A297 L298 N302 Q303 I334 M346	A297-A300 PolarHBondContact O-N 3.31Å; A297-A300 VanDerWaalsContact O-N 3.08Å; L298-A300 PolarHBondContact O-N 2.72Å; L298-A300 VanDerWaalsContact O-N 3.15Å; A300-N302 PolarHBondContact O-N 2.87Å; A300-Q303 WeakPolarHBondContact O-CA 3.22Å; A300-Q303 PolarHBondContact O-N 3Å; A300-I334 HydrophobicContact CB-CD1 3.67Å; A300-M346 HydrophobicContact CB-SD 4.07Å
301	F	98.1	Very high	98.5	Very high	34 Å²	34	16.2 Å²	16.2	15%	0.149	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-58.6	134.3	173.9	174.2	-109.7	0	0	0	109.9	E118 F172 L298 Q303 G304 V306 H466	E118-F301 HydrophobicContact CB-CE2 4.12Å; E118-F301 HydrophobicContact CG-CD2 4.14Å; E118-F301 HydrophobicContact CG-CE2 3.77Å; F172-F301 HydrophobicContact CE1-CE1 4.12Å; F172-F301 HydrophobicContact CE1-CZ 4.33Å; F172-F301 AromaticContact CZ-CE1 3.86Å; F172-F301 HydrophobicContact CZ-CE1 3.86Å; F172-F301 HydrophobicContact CZ-CZ 4.5Å; L298-F301 HydrophobicContact CD2-CB 4.43Å; L298-F301 VanDerWaalsContact O-CB 3.27Å; L298-F301 WeakPolarHBondContact O-CB 3.3Å; L298-F301 PolarHBondContact O-N 3.03Å; L298-F301 VanDerWaalsContact O-N 3.08Å; F301-Q303 PolarHBondContact O-N 3.08Å; F301-G304 PolarHBondContact O-N 3.4Å; F301-V306 HydrophobicContact CD1-CG2 3.94Å; F301-V306 HydrophobicContact CE1-CG2 4.39Å; F301-V306 WeakPolarHBondContact O-CG2 3.36Å; F301-H466 HydrophobicContact CD1-CB 4.41Å; F301-H466 AromaticContact CD1-CD2 3.6Å; F301-H466 AromaticContact CD1-CG 3.9Å; F301-H466 AromaticContact CD1-NE2 3.92Å; F301-H466 AromaticContact CG-CD2 3.92Å
302	N	97.8	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	49.8	37.2	-171.5	-164.7	47.2	0	0	0	112.8	N112 K114 E118 N171 F172 A300 G304 E305 V306	N112-N302 PolarHBondContact OD1-OD1 3.05Å; K114-N302 WeakPolarHBondContact CB-OD1 3.49Å; K114-N302 VanDerWaalsContact CD-OD1 3.26Å; K114-N302 WeakPolarHBondContact CD-OD1 3.31Å; K114-N302 WeakPolarHBondContact CE-OD1 3.49Å; K114-N302 PolarHBondContact NZ-OD1 3.28Å; E118-N302 PolarHBondContact OE1-N 3.35Å; E118-N302 VanDerWaalsContact OE2-CA 3.22Å; E118-N302 WeakPolarHBondContact OE2-CA 3.25Å; E118-N302 PolarHBondContact OE2-N 2.81Å; N171-N302 PolarHBondContact O-ND2 3.07Å; F172-N302 HydrophobicContact CE1-CB 4.5Å; F172-N302 HydrophobicContact CZ-CB 3.98Å; A300-N302 PolarHBondContact O-N 2.87Å; N302-G304 PolarHBondContact O-N 3.31Å; N302-E305 PolarHBondContact ND2-O 3.3Å; N302-E305 WeakPolarHBondContact O-CB 3.02Å; N302-E305 PolarHBondContact O-N 3.02Å; N302-V306 HydrophobicContact CB-CG2 3.67Å
303	Q	98	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	52.5	28.3	-175.3	-50.5	76.2	-85.4	0	0	113.4	G113 K114 A300 F301 E305 M346 G347 A348 Q349 G411 P412	G113-Q303 VanDerWaalsContact C-NE2 3.31Å; G113-Q303 PolarHBondContact O-NE2 3.41Å; K114-Q303 VanDerWaalsContact CA-NE2 3.25Å; A300-Q303 WeakPolarHBondContact O-CA 3.22Å; A300-Q303 PolarHBondContact O-N 3Å; F301-Q303 PolarHBondContact O-N 3.08Å; Q303-E305 PolarHBondContact O-N 3.16Å; Q303-M346 HydrophobicContact CB-CG 4.12Å; Q303-M346 HydrophobicContact CG-CG 3.72Å; Q303-G347 VanDerWaalsContact CG-C 3.42Å; Q303-G347 VanDerWaalsContact CG-N 3.34Å; Q303-G347 WeakPolarHBondContact CG-O 3.39Å; Q303-A348 PolarHBondContact NE2-O 2.87Å; Q303-Q349 VanDerWaalsContact CB-NE2 3.29Å; Q303-G411 CarbonylContact O-C 3.23Å; Q303-G411 WeakPolarHBondContact O-CA 3.43Å; Q303-P412 WeakPolarHBondContact O-CB 3.45Å; Q303-P412 WeakPolarHBondContact O-CD 3.47Å; Q303-P412 WeakPolarHBondContact O-CG 3.25Å
304	G	98.4	Very high	98.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	74.4	4.3	-177.4	0	0	0	0	0	115.3	F299 F301 N302 V306 F410 G411	F299-G304 WeakPolarHBondContact O-CA 3.41Å; F299-G304 PolarHBondContact O-N 3.37Å; F301-G304 PolarHBondContact O-N 3.4Å; N302-G304 PolarHBondContact O-N 3.31Å; G304-V306 PolarHBondContact O-N 3.05Å; G304-F410 CarbonylContact O-C 3.6Å; G304-G411 PolarHBondContact O-N 3.49Å
305	E	98.7	Very high	98.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.039	C	C	.	.			trans	-80.5	58.3	175.3	-62.2	179.6	146.8	0	0	110.3	W170 N171 N302 Q303 Q349 V350 Q354 F410	W170-E305 HydrophobicContact CH2-CB 3.8Å; W170-E305 HydrophobicContact CH2-CG 3.75Å; W170-E305 HydrophobicContact CZ3-CB 3.67Å; W170-E305 HydrophobicContact CZ3-CG 3.88Å; W170-E305 VanDerWaalsContact CZ3-OE2 3.32Å; W170-E305 WeakPolarHBondContact CZ3-OE2 3.37Å; N171-E305 VanDerWaalsContact CB-O 3.28Å; N171-E305 WeakPolarHBondContact CB-O 3.41Å; N171-E305 PolarHBondContact ND2-O 3.02Å; N302-E305 PolarHBondContact ND2-O 3.3Å; N302-E305 WeakPolarHBondContact O-CB 3.02Å; N302-E305 PolarHBondContact O-N 3.02Å; Q303-E305 PolarHBondContact O-N 3.16Å; E305-Q349 WeakPolarHBondContact OE1-CA 3.16Å; E305-Q349 PolarHBondContact OE1-OE1 3.48Å; E305-V350 PolarHBondContact OE1-N 3.09Å; E305-V350 PolarHBondContact OE2-N 3.03Å; E305-Q354 WeakPolarHBondContact OE1-CG 3.27Å; E305-F410 HydrophobicContact CB-CD1 3.88Å; E305-F410 HydrophobicContact CB-CE1 3.82Å; E305-F410 HydrophobicContact CG-CD1 4.21Å; E305-F410 WeakPolarHBondContact CG-O 3.37Å
306	V	98.6	Very high	98.5	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.018	5%	0.046	C	C	.	.			trans	-132.3	127.4	-175.9	-171.3	0	0	0	0	109.3	F172 F301 N302 G304 T308 C309 Y468	F172-V306 HydrophobicContact CE2-CB 4.29Å; F172-V306 HydrophobicContact CE2-CG1 3.98Å; F172-V306 HydrophobicContact CE2-CG2 3.95Å; F172-V306 HydrophobicContact CZ-CG1 4.26Å; F172-V306 HydrophobicContact CZ-CG2 3.84Å; F301-V306 HydrophobicContact CD1-CG2 3.94Å; F301-V306 HydrophobicContact CE1-CG2 4.39Å; F301-V306 WeakPolarHBondContact O-CG2 3.36Å; N302-V306 HydrophobicContact CB-CG2 3.67Å; G304-V306 PolarHBondContact O-N 3.05Å; V306-T308 PolarHBondContact O-N 3.01Å; V306-T308 VanDerWaalsContact O-N 3.14Å; V306-C309 HydrophobicContact CB-CB 4.03Å; V306-C309 WeakPolarHBondContact O-CB 3.39Å; V306-C309 PolarHBondContact O-N 2.77Å; V306-Y468 WeakPolarHBondContact CG1-OH 3.17Å
307	C	98.1	Very high	98.5	Very high	22 Å²	22	12.8 Å²	12.8	15%	0.149	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.8	179.1	54.6	0	0	0	0	113	G271 F410 L436	G271-C307 VanDerWaalsContact CA-O 3.3Å; G271-C307 WeakPolarHBondContact CA-O 3.48Å; G271-C307 PolarHBondContact N-O 3.37Å; C307-F410 HydrophobicContact CB-CE2 4.31Å; C307-L436 HydrophobicContact CB-CD2 3.57Å
308	T	98.4	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	13.3	173.5	53.7	0	0	0	0	113.7	S273 V306 L436 W461 Y465 Y468 F474	S273-T308 WeakPolarHBondContact OG-CA 3.3Å; S273-T308 PolarHBondContact OG-O 3.44Å; V306-T308 PolarHBondContact O-N 3.01Å; V306-T308 VanDerWaalsContact O-N 3.14Å; T308-L436 HydrophobicContact CG2-CB 4.17Å; T308-L436 HydrophobicContact CG2-CD2 3.48Å; T308-L436 VanDerWaalsContact CG2-CD2 3.48Å; T308-L436 HydrophobicContact CG2-CG 3.48Å; T308-L436 VanDerWaalsContact CG2-CG 3.48Å; T308-W461 HydrophobicContact CG2-CH2 3.87Å; T308-W461 HydrophobicContact CG2-CZ3 4.2Å; T308-Y465 VanDerWaalsContact O-CE1 3.29Å; T308-Y465 WeakPolarHBondContact O-CE1 3.2Å; T308-Y465 PolarHBondContact O-OH 2.7Å; T308-Y468 PolarHBondContact OG1-OH 3.39Å; T308-F474 HydrophobicContact CG2-CE2 3.71Å; T308-F474 HydrophobicContact CG2-CZ 3.62Å
309	C	98.6	Very high	98.5	Very high	6 Å²	6	14.3 Å²	14.3	4%	0.041	8%	0.081	C	C	.	.			trans	-44.5	127.6	177.5	179.7	0	0	0	0	110.4	S273 F299 V306 S311	S273-C309 WeakPolarHBondContact CB-O 3.41Å; F299-C309 PolarHBondContact O-SG 3.14Å; V306-C309 HydrophobicContact CB-CB 4.03Å; V306-C309 WeakPolarHBondContact O-CB 3.39Å; V306-C309 PolarHBondContact O-N 2.77Å; C309-S311 PolarHBondContact O-N 2.9Å; C309-S311 PolarHBondContact O-OG 3.37Å
310	P	98.6	Very high	98.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.			trans	-71.4	58.8	177.7	29.9	-34.1	0	0	0	110.7	N275 L298 F299 R312 L414 Y465 H466	N275-P310 HydrophobicContact CB-CB 3.72Å; N275-P310 WeakPolarHBondContact ND2-CB 3.44Å; L298-P310 HydrophobicContact CB-CG 4.31Å; F299-P310 HydrophobicContact CB-CG 4.2Å; P310-R312 VanDerWaalsContact C-N 3.28Å; P310-R312 PolarHBondContact O-N 3.48Å; P310-L414 WeakPolarHBondContact O-CD1 3.49Å; P310-Y465 HydrophobicContact CB-CD1 4.31Å; P310-Y465 HydrophobicContact CB-CD2 4.46Å; P310-Y465 HydrophobicContact CB-CE1 3.79Å; P310-Y465 HydrophobicContact CB-CE2 3.88Å; P310-Y465 HydrophobicContact CG-CD1 4.06Å; P310-Y465 HydrophobicContact CG-CE1 3.84Å; P310-H466 WeakPolarHBondContact CD-NE2 3.23Å
311	S	98.6	Very high	98.6	Very high	11 Å²	11	22.3 Å²	22.3	8%	0.077	12%	0.116	C	C	.	.			trans	-84.2	1	-166.6	49.4	0	0	0	0	113.8	S273 C309 A415	S273-S311 PolarHBondContact O-N 3.03Å; C309-S311 PolarHBondContact O-N 2.9Å; C309-S311 PolarHBondContact O-OG 3.37Å; S311-A415 PolarHBondContact O-N 2.74Å
312	R	98.8	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.7	163.5	-71.5	-167.3	-69.8	154.4	8.1	109.7	K272 S273 P274 N275 P310 N400 F405 A415 L428 A429	K272-R312 HydrophobicContact CD-CG 4.45Å; K272-R312 HydrophobicContact CG-CG 4.16Å; K272-R312 PolarHBondContact O-NE 3.17Å; K272-R312 PolarHBondContact O-NH2 2.98Å; S273-R312 PolarHBondContact O-N 3.33Å; P274-R312 CarbonylContact C-O 3.59Å; P274-R312 WeakPolarHBondContact CA-O 3.44Å; N275-R312 PolarHBondContact N-O 3.12Å; P310-R312 VanDerWaalsContact C-N 3.28Å; P310-R312 PolarHBondContact O-N 3.48Å; R312-N400 PolarHBondContact NH1-OD1 3.19Å; R312-F405 VanDerWaalsContact CD-O 3.25Å; R312-F405 WeakPolarHBondContact CD-O 3.48Å; R312-F405 HydrophobicContact CG-CD1 4.11Å; R312-A415 CarbonylContact C-O 3.52Å; R312-A415 VanDerWaalsContact CA-O 3.27Å; R312-A415 WeakPolarHBondContact CA-O 3.49Å; R312-L428 PolarHBondContact NH1-O 3Å; R312-A429 PolarHBondContact NH2-O 2.75Å
313	A	98.9	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.4	169.4	0	0	0	0	0	110.5	N275 F277 F296 L414 A415 V416 T417	N275-A313 WeakPolarHBondContact O-CA 3.43Å; F277-A313 HydrophobicContact CE2-CB 4.26Å; F296-A313 HydrophobicContact CD2-CB 3.94Å; F296-A313 HydrophobicContact CE2-CB 3.53Å; F296-A313 HydrophobicContact CZ-CB 4.45Å; A313-L414 HydrophobicContact CB-CD1 3.94Å; A313-L414 HydrophobicContact CB-CD2 4.06Å; A313-L414 HydrophobicContact CB-CG 4.24Å; A313-A415 PolarHBondContact N-O 3.47Å; A313-V416 HydrophobicContact CB-CG1 4.42Å; A313-V416 HydrophobicContact CB-CG2 4.16Å; A313-V416 WeakPolarHBondContact O-CA 3.33Å; A313-T417 PolarHBondContact O-N 3.36Å
314	L	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.3	171.7	-50.8	-174	0	0	0	106.6	P274 N275 I276 F277 T417 F419 L428 A429	P274-L314 HydrophobicContact CB-CD1 4.44Å; N275-L314 PolarHBondContact O-N 3.05Å; I276-L314 CarbonylContact C-O 3.53Å; I276-L314 WeakPolarHBondContact CA-O 3.4Å; I276-L314 HydrophobicContact CD1-CD1 4.44Å; I276-L314 HydrophobicContact CG1-CB 4.33Å; I276-L314 HydrophobicContact CG1-CD1 4.15Å; I276-L314 HydrophobicContact CG1-CG 4.46Å; I276-L314 HydrophobicContact CG2-CB 4.41Å; F277-L314 PolarHBondContact N-O 2.92Å; L314-T417 HydrophobicContact CD2-CG2 3.48Å; L314-T417 VanDerWaalsContact CD2-CG2 3.48Å; L314-F419 HydrophobicContact CB-CD1 3.8Å; L314-F419 HydrophobicContact CB-CE1 4.08Å; L314-F419 WeakPolarHBondContact O-CE1 3.48Å; L314-L428 HydrophobicContact CD1-CB 3.76Å; L314-L428 HydrophobicContact CD2-CB 4.44Å; L314-A429 HydrophobicContact CD1-CB 4.17Å
315	V	98.9	Very high	98.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.3	-177.6	-177.4	0	0	0	0	109.3	F277 F296 E317 I319 Y320 F323 M324 V416 T417 T418 F419	F277-V315 HydrophobicContact CB-CG2 4.44Å; F277-V315 HydrophobicContact CD2-CG2 4.17Å; F296-V315 HydrophobicContact CE2-CG2 4.45Å; V315-E317 PolarHBondContact O-N 2.92Å; V315-I319 HydrophobicContact CG1-CD1 4.2Å; V315-I319 HydrophobicContact CG1-CG1 4.04Å; V315-Y320 HydrophobicContact CB-CD2 4.35Å; V315-F323 HydrophobicContact CG1-CB 4.2Å; V315-F323 HydrophobicContact CG1-CD1 3.97Å; V315-F323 HydrophobicContact CG1-CG 4.12Å; V315-F323 HydrophobicContact CG2-CD1 4.13Å; V315-F323 HydrophobicContact CG2-CE1 4.21Å; V315-M324 HydrophobicContact CG2-SD 4.33Å; V315-V416 HydrophobicContact CG2-CG1 4.39Å; V315-T417 PolarHBondContact N-O 2.93Å; V315-T418 WeakPolarHBondContact O-CA 3.06Å; V315-T418 WeakPolarHBondContact O-CB 3.27Å; V315-F419 PolarHBondContact O-N 3.35Å
316	Q	98.9	Very high	98.7	Very high	36 Å²	36	33.7 Å²	33.7	17%	0.168	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	130.1	-179.4	-163.3	166.3	9.1	0	0	110.9	F277 A279 S318 I319 Y320 F419 K420	F277-Q316 PolarHBondContact O-N 2.7Å; A279-Q316 HydrophobicContact CB-CB 4.44Å; A279-Q316 HydrophobicContact CB-CG 4.44Å; A279-Q316 VanDerWaalsContact CB-OE1 3.27Å; Q316-S318 PolarHBondContact O-N 3.43Å; Q316-S318 VanDerWaalsContact O-N 3.1Å; Q316-I319 HydrophobicContact CB-CG1 4.36Å; Q316-I319 WeakPolarHBondContact O-CG1 3.24Å; Q316-I319 PolarHBondContact O-N 3.44Å; Q316-Y320 PolarHBondContact O-N 2.98Å; Q316-F419 CarbonylContact C-O 3.57Å; Q316-F419 VanDerWaalsContact CA-O 3.32Å; Q316-F419 WeakPolarHBondContact CA-O 3.34Å; Q316-F419 HydrophobicContact CB-CD2 4.41Å; Q316-F419 HydrophobicContact CB-CE1 4.1Å; Q316-F419 HydrophobicContact CB-CE2 3.77Å; Q316-F419 HydrophobicContact CB-CZ 3.62Å; Q316-F419 HydrophobicContact CG-CD2 4.16Å; Q316-F419 HydrophobicContact CG-CE2 3.72Å; Q316-F419 HydrophobicContact CG-CZ 4.12Å; Q316-F419 VanDerWaalsContact N-CE1 3.34Å; Q316-K420 PolarHBondContact NE2-O 3.03Å
317	E	98.8	Very high	98.7	Very high	96 Å²	96	33.6 Å²	33.6	45%	0.449	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-54.3	-38	-168.5	-171.9	-174.6	-122	0	0	112.5	V315 I319 Y320 F419 K420	V315-E317 PolarHBondContact O-N 2.92Å; E317-I319 PolarHBondContact O-N 3.38Å; E317-I319 VanDerWaalsContact O-N 3.14Å; E317-Y320 WeakPolarHBondContact O-CB 3.35Å; E317-Y320 PolarHBondContact O-N 3.38Å; E317-F419 PolarHBondContact N-O 3.01Å; E317-K420 HydrophobicContact CB-CG 4.3Å; E317-K420 VanDerWaalsContact CD-CE 3.49Å; E317-K420 VanDerWaalsContact OE1-CE 3.24Å; E317-K420 WeakPolarHBondContact OE1-CE 3.25Å; E317-K420 IonicContact OE1-NZ 3.84Å; E317-K420 WeakPolarHBondContact OE2-CE 3.45Å; E317-K420 WeakPolarHBondContact OE2-CG 3.25Å; E317-K420 IonicContact OE2-NZ 3.93Å
318	S	98.7	Very high	98.7	Very high	82 Å²	82	34 Å²	34	57%	0.573	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-64.6	-17.5	-179	59	0	0	0	0	115	Q316	Q316-S318 PolarHBondContact O-N 3.43Å; Q316-S318 VanDerWaalsContact O-N 3.1Å
319	I	98.7	Very high	98.7	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-114.9	-5.9	177	64.5	158	0	0	0	113.3	A279 V281 M282 V315 Q316 E317 E321 R322 F323	A279-I319 HydrophobicContact CB-CG2 3.68Å; V281-I319 HydrophobicContact CG2-CD1 3.83Å; M282-I319 HydrophobicContact CB-CG2 4.37Å; M282-I319 HydrophobicContact CG-CB 4.44Å; M282-I319 HydrophobicContact CG-CD1 4.08Å; M282-I319 HydrophobicContact SD-CB 3.86Å; M282-I319 HydrophobicContact SD-CD1 4.26Å; M282-I319 HydrophobicContact SD-CG2 4.35Å; V315-I319 HydrophobicContact CG1-CD1 4.2Å; V315-I319 HydrophobicContact CG1-CG1 4.04Å; Q316-I319 HydrophobicContact CB-CG1 4.36Å; Q316-I319 WeakPolarHBondContact O-CG1 3.24Å; Q316-I319 PolarHBondContact O-N 3.44Å; E317-I319 PolarHBondContact O-N 3.38Å; E317-I319 VanDerWaalsContact O-N 3.14Å; I319-E321 PolarHBondContact O-N 3.32Å; I319-R322 PolarHBondContact O-N 2.87Å; I319-F323 HydrophobicContact CD1-CB 4.21Å; I319-F323 HydrophobicContact CD1-CD2 4.05Å; I319-F323 HydrophobicContact CD1-CG 4.33Å; I319-F323 HydrophobicContact CG1-CB 4.43Å; I319-F323 VanDerWaalsContact O-CB 3.27Å; I319-F323 WeakPolarHBondContact O-CB 3.37Å; I319-F323 PolarHBondContact O-N 3.49Å
320	Y	98.9	Very high	98.7	Very high	28 Å²	28	43.9 Å²	43.9	11%	0.11	20%	0.198	C	C	.	.	H	α-helix	trans	-47.9	-58.3	-168.1	173.6	-99.9	0	0	0	113	V315 Q316 E317 R322 F323 M324 F397 V416 T418	V315-Y320 HydrophobicContact CB-CD2 4.35Å; Q316-Y320 PolarHBondContact O-N 2.98Å; E317-Y320 WeakPolarHBondContact O-CB 3.35Å; E317-Y320 PolarHBondContact O-N 3.38Å; Y320-R322 PolarHBondContact O-N 3.34Å; Y320-F323 PolarHBondContact O-N 3.2Å; Y320-M324 HydrophobicContact CD2-CG 3.61Å; Y320-M324 HydrophobicContact CE1-CG 4.43Å; Y320-M324 HydrophobicContact CE2-CG 3.38Å; Y320-M324 HydrophobicContact CE2-SD 4.26Å; Y320-M324 HydrophobicContact CG-CG 4.25Å; Y320-M324 VanDerWaalsContact O-CB 3.26Å; Y320-M324 WeakPolarHBondContact O-CB 3.48Å; Y320-M324 VanDerWaalsContact O-CG 3.27Å; Y320-M324 WeakPolarHBondContact O-CG 3.39Å; Y320-M324 PolarHBondContact O-N 3.11Å; Y320-F397 HydrophobicContact CE1-CE2 4.44Å; Y320-F397 AromaticContact CE2-CD2 3.85Å; Y320-F397 HydrophobicContact CE2-CD2 3.85Å; Y320-F397 AromaticContact CE2-CE2 3.69Å; Y320-F397 HydrophobicContact CE2-CE2 3.69Å; Y320-F397 AromaticContact CZ-CD2 3.69Å; Y320-F397 AromaticContact CZ-CE2 3.61Å; Y320-F397 WeakPolarHBondContact OH-CD2 3.48Å; Y320-F397 WeakPolarHBondContact OH-CE2 3.45Å; Y320-V416 HydrophobicContact CE2-CG1 4.2Å; Y320-T418 HydrophobicContact CD1-CG2 4.48Å; Y320-T418 HydrophobicContact CD2-CG2 3.32Å; Y320-T418 HydrophobicContact CE2-CG2 3.94Å; Y320-T418 HydrophobicContact CG-CG2 3.64Å
321	E	98.6	Very high	98.7	Very high	146 Å²	146	43.9 Å²	43.9	68%	0.682	20%	0.198	S	C	*	.	H	α-helix	trans	-56.9	-50.8	-176.5	-65.2	-61.6	155.4	0	0	112.3	I319 F323 E325	I319-E321 PolarHBondContact O-N 3.32Å; E321-F323 PolarHBondContact O-N 3.48Å; E321-E325 WeakPolarHBondContact O-CB 3.49Å; E321-E325 PolarHBondContact O-N 3.33Å; E321-E325 VanDerWaalsContact O-N 3.08Å
322	R	98.5	Very high	98.7	Very high	116 Å²	116	48.8 Å²	48.8	44%	0.438	22%	0.22	S	C	.	.	H	α-helix	trans	-69	-35.9	-177.3	-65.3	-175.7	-67.4	121.3	0.3	112.3	M282 I319 Y320 R326	M282-R322 HydrophobicContact CE-CB 3.78Å; M282-R322 HydrophobicContact SD-CB 4.13Å; I319-R322 PolarHBondContact O-N 2.87Å; Y320-R322 PolarHBondContact O-N 3.34Å; R322-R326 PolarHBondContact O-NH1 3.26Å
323	F	98.8	Very high	98.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-50.8	178.3	-175.2	-86.8	0	0	0	110.4	F277 V281 M282 F289 L293 F296 V315 I319 Y320 E321 E325 R326 A327	F277-F323 HydrophobicContact CB-CE2 4.43Å; F277-F323 HydrophobicContact CB-CZ 4.29Å; F277-F323 HydrophobicContact CD1-CE1 4.42Å; F277-F323 AromaticContact CD1-CE2 3.98Å; F277-F323 HydrophobicContact CD1-CE2 3.98Å; F277-F323 AromaticContact CD1-CZ 3.54Å; F277-F323 HydrophobicContact CD1-CZ 3.54Å; F277-F323 HydrophobicContact CD2-CZ 4.43Å; F277-F323 AromaticContact CE1-CZ 3.93Å; F277-F323 HydrophobicContact CE1-CZ 3.93Å; F277-F323 HydrophobicContact CG-CE1 4.32Å; F277-F323 HydrophobicContact CG-CE2 4.35Å; F277-F323 AromaticContact CG-CZ 3.82Å; F277-F323 HydrophobicContact CG-CZ 3.82Å; V281-F323 HydrophobicContact CG2-CD2 4.11Å; V281-F323 HydrophobicContact CG2-CE2 4.01Å; M282-F323 HydrophobicContact CG-CD2 4.26Å; M282-F323 HydrophobicContact SD-CB 3.78Å; M282-F323 HydrophobicContact SD-CD2 4.2Å; F289-F323 AromaticContact CE2-CD2 3.77Å; F289-F323 HydrophobicContact CE2-CD2 3.77Å; F289-F323 AromaticContact CE2-CE2 3.95Å; F289-F323 HydrophobicContact CE2-CE2 3.95Å; L293-F323 HydrophobicContact CD2-CD2 4.36Å; L293-F323 HydrophobicContact CD2-CE1 4.46Å; L293-F323 HydrophobicContact CD2-CE2 4Å; L293-F323 HydrophobicContact CD2-CZ 4.05Å; F296-F323 HydrophobicContact CB-CE1 4.29Å; F296-F323 HydrophobicContact CB-CZ 4.22Å; F296-F323 AromaticContact CD2-CE1 3.63Å; F296-F323 HydrophobicContact CD2-CE1 3.63Å; F296-F323 HydrophobicContact CD2-CZ 4.27Å; F296-F323 HydrophobicContact CE2-CE1 4.16Å; F296-F323 HydrophobicContact CG-CE1 4.08Å; F296-F323 HydrophobicContact CG-CZ 4.49Å; V315-F323 HydrophobicContact CG1-CB 4.2Å; V315-F323 HydrophobicContact CG1-CD1 3.97Å; V315-F323 HydrophobicContact CG1-CG 4.12Å; V315-F323 HydrophobicContact CG2-CD1 4.13Å; V315-F323 HydrophobicContact CG2-CE1 4.21Å; I319-F323 HydrophobicContact CD1-CB 4.21Å; I319-F323 HydrophobicContact CD1-CD2 4.05Å; I319-F323 HydrophobicContact CD1-CG 4.33Å; I319-F323 HydrophobicContact CG1-CB 4.43Å; I319-F323 VanDerWaalsContact O-CB 3.27Å; I319-F323 WeakPolarHBondContact O-CB 3.37Å; I319-F323 PolarHBondContact O-N 3.49Å; Y320-F323 PolarHBondContact O-N 3.2Å; E321-F323 PolarHBondContact O-N 3.48Å; F323-E325 PolarHBondContact O-N 2.89Å; F323-R326 PolarHBondContact O-N 3.41Å; F323-R326 VanDerWaalsContact O-N 3.15Å; F323-A327 HydrophobicContact CD1-CB 4.19Å; F323-A327 HydrophobicContact CE1-CB 3.99Å; F323-A327 WeakPolarHBondContact O-CB 3.47Å; F323-A327 PolarHBondContact O-N 3.01Å
324	M	98.8	Very high	98.7	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.025	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-37.5	-176.3	-72.6	-54.4	-61.8	0	0	112.6	F296 V315 Y320 R326 A327 I328 L373 I395 V416	F296-M324 HydrophobicContact CE2-CE 4.42Å; F296-M324 HydrophobicContact CE2-SD 3.87Å; F296-M324 HydrophobicContact CZ-CE 3.78Å; F296-M324 HydrophobicContact CZ-SD 3.81Å; V315-M324 HydrophobicContact CG2-SD 4.33Å; Y320-M324 HydrophobicContact CD2-CG 3.61Å; Y320-M324 HydrophobicContact CE1-CG 4.43Å; Y320-M324 HydrophobicContact CE2-CG 3.38Å; Y320-M324 HydrophobicContact CE2-SD 4.26Å; Y320-M324 HydrophobicContact CG-CG 4.25Å; Y320-M324 VanDerWaalsContact O-CB 3.26Å; Y320-M324 WeakPolarHBondContact O-CB 3.48Å; Y320-M324 VanDerWaalsContact O-CG 3.27Å; Y320-M324 WeakPolarHBondContact O-CG 3.39Å; Y320-M324 PolarHBondContact O-N 3.11Å; M324-R326 VanDerWaalsContact C-N 3.26Å; M324-R326 PolarHBondContact O-N 3.44Å; M324-A327 PolarHBondContact O-N 3.17Å; M324-I328 HydrophobicContact CB-CD1 4.41Å; M324-I328 HydrophobicContact CE-CD1 4.25Å; M324-I328 HydrophobicContact CE-CG1 4.12Å; M324-I328 WeakPolarHBondContact O-CB 2.98Å; M324-I328 WeakPolarHBondContact O-CD1 3.42Å; M324-I328 WeakPolarHBondContact O-CG1 3.48Å; M324-I328 PolarHBondContact O-N 3.44Å; M324-L373 HydrophobicContact CE-CD1 3.61Å; M324-I395 HydrophobicContact CE-CG2 4.16Å; M324-V416 HydrophobicContact CE-CG1 4.16Å; M324-V416 HydrophobicContact CE-CG2 4.27Å; M324-V416 HydrophobicContact SD-CG1 3.98Å
325	E	98.6	Very high	98.6	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-51.5	-46.9	172.5	-176.3	-164.5	172.6	0	0	111.8	E321 F323 R329	E321-E325 WeakPolarHBondContact O-CB 3.49Å; E321-E325 PolarHBondContact O-N 3.33Å; E321-E325 VanDerWaalsContact O-N 3.08Å; F323-E325 PolarHBondContact O-N 2.89Å; E325-R329 WeakPolarHBondContact O-CG 3.4Å; E325-R329 PolarHBondContact O-N 2.76Å; E325-R329 IonicContact OE1-CZ 3.92Å; E325-R329 IonicContact OE1-NH1 2.72Å; E325-R329 PolarHBondContact OE1-NH1 3.23Å; E325-R329 IonicContact OE1-NH2 3.37Å; E325-R329 PolarHBondContact OE1-NH2 3.39Å
326	R	98.7	Very high	98.4	Very high	64 Å²	64	61.6 Å²	61.6	24%	0.242	28%	0.284	C	S	.	.	H	α-helix	trans	-77.8	-37.8	-178.4	-66	165.4	175.4	73.3	-2.3	111.8	E285 F289 L293 R322 F323 M324 R329 R330	E285-R326 IonicContact OE1-CZ 3.17Å; E285-R326 IonicContact OE1-NE 3.04Å; E285-R326 IonicContact OE1-NH2 2.67Å; E285-R326 PolarHBondContact OE1-NH2 2.78Å; F289-R326 VanDerWaalsContact CZ-CD 3.42Å; L293-R326 HydrophobicContact CD1-CB 3.88Å; L293-R326 HydrophobicContact CD2-CB 3.99Å; R322-R326 PolarHBondContact O-NH1 3.26Å; F323-R326 PolarHBondContact O-N 3.41Å; F323-R326 VanDerWaalsContact O-N 3.15Å; M324-R326 VanDerWaalsContact C-N 3.26Å; M324-R326 PolarHBondContact O-N 3.44Å; R326-R329 PolarHBondContact O-N 2.77Å; R326-R330 PolarHBondContact O-N 2.99Å; R326-R330 VanDerWaalsContact O-N 3.1Å
327	A	98.8	Very high	98.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-44.1	179.4	0	0	0	0	0	111.9	L293 F296 F323 M324 R330 V331	L293-A327 HydrophobicContact CD2-CB 3.98Å; F296-A327 HydrophobicContact CD1-CB 3.65Å; F296-A327 HydrophobicContact CE1-CB 3.75Å; F296-A327 HydrophobicContact CG-CB 4.06Å; F296-A327 HydrophobicContact CZ-CB 4.23Å; F323-A327 HydrophobicContact CD1-CB 4.19Å; F323-A327 HydrophobicContact CE1-CB 3.99Å; F323-A327 WeakPolarHBondContact O-CB 3.47Å; F323-A327 PolarHBondContact O-N 3.01Å; M324-A327 PolarHBondContact O-N 3.17Å; A327-R330 PolarHBondContact O-N 3.34Å; A327-V331 WeakPolarHBondContact O-CG2 3.5Å; A327-V331 PolarHBondContact O-N 3.01Å
328	I	98.9	Very high	98.1	Very high	32 Å²	32	56.4 Å²	56.4	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-48.5	176	-68.5	163.8	0	0	0	110.2	M324 R330 V331 E332 L373 T374 I395	M324-I328 HydrophobicContact CB-CD1 4.41Å; M324-I328 HydrophobicContact CE-CD1 4.25Å; M324-I328 HydrophobicContact CE-CG1 4.12Å; M324-I328 WeakPolarHBondContact O-CB 2.98Å; M324-I328 WeakPolarHBondContact O-CD1 3.42Å; M324-I328 WeakPolarHBondContact O-CG1 3.48Å; M324-I328 PolarHBondContact O-N 3.44Å; I328-R330 VanDerWaalsContact C-N 3.26Å; I328-R330 PolarHBondContact O-N 3.27Å; I328-V331 PolarHBondContact O-N 3.12Å; I328-E332 HydrophobicContact CG2-CG 4.18Å; I328-E332 WeakPolarHBondContact O-CG 3.45Å; I328-E332 PolarHBondContact O-N 2.81Å; I328-L373 HydrophobicContact CD1-CB 4.05Å; I328-L373 HydrophobicContact CD1-CD1 4.21Å; I328-T374 HydrophobicContact CG2-CG2 4.49Å; I328-I395 HydrophobicContact CG1-CD1 4.04Å
329	R	98.7	Very high	98	Very high	151 Å²	151	52.5 Å²	52.5	57%	0.57	24%	0.236	S	C	*	.	H	α-helix	trans	-55.7	-41.1	176.6	-75	177.8	-176.5	150	10.4	112.4	E325 R326 S333	E325-R329 WeakPolarHBondContact O-CG 3.4Å; E325-R329 PolarHBondContact O-N 2.76Å; E325-R329 IonicContact OE1-CZ 3.92Å; E325-R329 IonicContact OE1-NH1 2.72Å; E325-R329 PolarHBondContact OE1-NH1 3.23Å; E325-R329 IonicContact OE1-NH2 3.37Å; E325-R329 PolarHBondContact OE1-NH2 3.39Å; R326-R329 PolarHBondContact O-N 2.77Å; R329-S333 WeakPolarHBondContact O-CB 3.42Å; R329-S333 PolarHBondContact O-N 2.83Å; R329-S333 VanDerWaalsContact O-N 3.11Å
330	R	98.4	Very high	97.8	Very high	61 Å²	61	53.1 Å²	53.1	23%	0.23	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-44.2	176.3	179.2	168.9	-75.8	-124.9	-1.8	111.4	D290 L293 A297 R326 A327 I328 S333	D290-R330 IonicContact OD1-CZ 2.8Å; D290-R330 IonicContact OD1-NH2 2.75Å; D290-R330 PolarHBondContact OD1-NH2 2.74Å; D290-R330 IonicContact OD2-CZ 2.73Å; D290-R330 IonicContact OD2-NH1 3.25Å; D290-R330 IonicContact OD2-NH2 2.79Å; D290-R330 PolarHBondContact OD2-NH2 3.32Å; L293-R330 WeakPolarHBondContact O-CD 3.32Å; A297-R330 HydrophobicContact CB-CG 4.17Å; R326-R330 PolarHBondContact O-N 2.99Å; R326-R330 VanDerWaalsContact O-N 3.1Å; A327-R330 PolarHBondContact O-N 3.34Å; I328-R330 VanDerWaalsContact C-N 3.26Å; I328-R330 PolarHBondContact O-N 3.27Å; R330-S333 WeakPolarHBondContact O-CB 3.46Å; R330-S333 PolarHBondContact O-N 3.06Å; R330-S333 PolarHBondContact O-OG 3.2Å
331	V	98.7	Very high	97.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-41.3	178	171.1	0	0	0	0	111.8	F296 A297 F299 A327 I328 S333 I334 T374 P393 I395	F296-V331 HydrophobicContact CD1-CG2 4.36Å; F296-V331 HydrophobicContact CE1-CG2 4.32Å; A297-V331 HydrophobicContact CB-CG2 4.02Å; F299-V331 HydrophobicContact CE1-CG1 4.19Å; F299-V331 HydrophobicContact CE1-CG2 3.73Å; F299-V331 HydrophobicContact CZ-CG1 3.86Å; F299-V331 HydrophobicContact CZ-CG2 4.26Å; A327-V331 WeakPolarHBondContact O-CG2 3.5Å; A327-V331 PolarHBondContact O-N 3.01Å; I328-V331 PolarHBondContact O-N 3.12Å; V331-S333 PolarHBondContact O-N 3.17Å; V331-I334 HydrophobicContact CB-CD1 4.44Å; V331-I334 HydrophobicContact CG1-CD1 4.29Å; V331-I334 VanDerWaalsContact O-CB 3.26Å; V331-I334 WeakPolarHBondContact O-CB 3.37Å; V331-I334 VanDerWaalsContact O-CG1 3.23Å; V331-I334 WeakPolarHBondContact O-CG1 3.45Å; V331-I334 PolarHBondContact O-N 2.91Å; V331-I334 VanDerWaalsContact O-N 3.13Å; V331-T374 HydrophobicContact CG1-CG2 4.06Å; V331-P393 HydrophobicContact CG1-CB 3.87Å; V331-P393 HydrophobicContact CG1-CG 3.92Å; V331-I395 HydrophobicContact CB-CD1 4.09Å; V331-I395 HydrophobicContact CG1-CD1 4.07Å; V331-I395 HydrophobicContact CG1-CG1 4.32Å; V331-I395 HydrophobicContact CG2-CD1 4.01Å
332	E	98.5	Very high	97.2	Very high	115 Å²	115	51.3 Å²	51.3	54%	0.537	24%	0.242	S	C	.	.	H	α-helix	trans	-66	-23.8	175.6	-71.1	177	160.6	0	0	112.9	I328 I334 T374	I328-E332 HydrophobicContact CG2-CG 4.18Å; I328-E332 WeakPolarHBondContact O-CG 3.45Å; I328-E332 PolarHBondContact O-N 2.81Å; E332-I334 VanDerWaalsContact C-N 3.29Å; E332-I334 PolarHBondContact O-N 2.98Å; E332-T374 HydrophobicContact CG-CG2 4.45Å; E332-T374 VanDerWaalsContact CG-OG1 3.27Å; E332-T374 WeakPolarHBondContact CG-OG1 3.21Å; E332-T374 PolarHBondContact OE1-OG1 2.92Å
333	S	98.1	Very high	97.1	Very high	73 Å²	73	48.8 Å²	48.8	51%	0.51	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.6	175.5	80.2	0	0	0	0	114.3	R329 R330 V331 R335	R329-S333 WeakPolarHBondContact O-CB 3.42Å; R329-S333 PolarHBondContact O-N 2.83Å; R329-S333 VanDerWaalsContact O-N 3.11Å; R330-S333 WeakPolarHBondContact O-CB 3.46Å; R330-S333 PolarHBondContact O-N 3.06Å; R330-S333 PolarHBondContact O-OG 3.2Å; V331-S333 PolarHBondContact O-N 3.17Å; S333-R335 PolarHBondContact O-N 2.98Å; S333-R335 VanDerWaalsContact O-N 3.15Å
334	I	98.4	Very high	97	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.108	24%	0.241	C	C	.	.			trans	-61.7	116	-179.6	-67	173.5	0	0	0	110	A300 V331 E332 S336 Q345 M346 P393	A300-I334 HydrophobicContact CB-CD1 3.67Å; V331-I334 HydrophobicContact CB-CD1 4.44Å; V331-I334 HydrophobicContact CG1-CD1 4.29Å; V331-I334 VanDerWaalsContact O-CB 3.26Å; V331-I334 WeakPolarHBondContact O-CB 3.37Å; V331-I334 VanDerWaalsContact O-CG1 3.23Å; V331-I334 WeakPolarHBondContact O-CG1 3.45Å; V331-I334 PolarHBondContact O-N 2.91Å; V331-I334 VanDerWaalsContact O-N 3.13Å; E332-I334 VanDerWaalsContact C-N 3.29Å; E332-I334 PolarHBondContact O-N 2.98Å; I334-S336 PolarHBondContact O-N 2.97Å; I334-S336 VanDerWaalsContact O-N 3.11Å; I334-Q345 HydrophobicContact CG2-CB 4.21Å; I334-M346 HydrophobicContact CG2-CB 3.71Å; I334-P393 HydrophobicContact CD1-CB 4.43Å; I334-P393 HydrophobicContact CD1-CG 4.43Å
335	R	97.4	Very high	97	Very high	156 Å²	156	52.4 Å²	52.4	59%	0.589	26%	0.256	S	S	*	.			trans	-77.7	99.6	179.8	-52.5	179.4	-179.1	179.4	-0.6	111	S333 T344 Q345 M346	S333-R335 PolarHBondContact O-N 2.98Å; S333-R335 VanDerWaalsContact O-N 3.15Å; R335-T344 CarbonylContact O-C 3.43Å; R335-T344 WeakPolarHBondContact O-CA 3.25Å; R335-Q345 HydrophobicContact CB-CG 3.93Å; R335-Q345 HydrophobicContact CG-CG 4.38Å; R335-Q345 VanDerWaalsContact N-OE1 3.12Å; R335-Q345 PolarHBondContact O-N 2.85Å; R335-M346 PolarHBondContact O-N 3.22Å
336	S	95.4	Very high	97	Very high	18 Å²	18	48.2 Å²	48.2	13%	0.126	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-88.8	141.5	168.8	-5.4	0	0	0	0	111.3	I334 M346 K379	I334-S336 PolarHBondContact O-N 2.97Å; I334-S336 VanDerWaalsContact O-N 3.11Å; S336-M346 VanDerWaalsContact CA-O 3.24Å; S336-M346 WeakPolarHBondContact CA-O 3.32Å; S336-M346 WeakPolarHBondContact CB-O 3.16Å; S336-K379 PolarHBondContact OG-NZ 2.96Å
337	G	95	Very high	96.9	Very high	11 Å²	11	45.1 Å²	45.1	11%	0.113	23%	0.225	C	C	.	.	S	Bend	trans	176.3	-150.8	-177	0	0	0	0	0	112.8	P339 M346 Y390	G337-P339 WeakPolarHBondContact O-CD 3.41Å; G337-M346 PolarHBondContact N-O 3.28Å; G337-Y390 VanDerWaalsContact O-CE1 3.3Å; G337-Y390 WeakPolarHBondContact O-CE1 3.24Å
338	N	95.4	Very high	96.9	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	23%	0.225	C	C	.	.			trans	-60.1	115.6	174.2	-176.2	-4.8	0	0	0	110	Y15 L340 D341 T344 L385	Y15-N338 WeakPolarHBondContact CE1-ND2 3.12Å; Y15-N338 VanDerWaalsContact CZ-ND2 3.31Å; Y15-N338 PolarHBondContact OH-ND2 3.23Å; N338-L340 PolarHBondContact O-N 3.25Å; N338-L340 WeakPolarHBondContact OD1-CB 3.42Å; N338-L340 PolarHBondContact OD1-N 2.96Å; N338-D341 HydrophobicContact CB-CB 4.34Å; N338-D341 WeakPolarHBondContact O-CB 3.45Å; N338-D341 PolarHBondContact O-N 3.32Å; N338-T344 VanDerWaalsContact O-CB 3.26Å; N338-T344 WeakPolarHBondContact O-CB 3.27Å; N338-T344 PolarHBondContact O-OG1 2.72Å; N338-L385 HydrophobicContact CB-CD1 3.98Å
339	P	96.7	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.5	-179.2	-26.5	39.2	0	0	0	113.7	V48 T109 G113 P115 I116 G337 D341	V48-P339 HydrophobicContact CG1-CG 4.41Å; V48-P339 HydrophobicContact CG2-CG 4.02Å; T109-P339 HydrophobicContact CG2-CB 3.69Å; G113-P339 VanDerWaalsContact O-CB 3.29Å; G113-P339 WeakPolarHBondContact O-CB 3.3Å; G113-P339 WeakPolarHBondContact O-CG 3.4Å; P115-P339 CarbonylContact C-O 3.58Å; P115-P339 WeakPolarHBondContact CA-O 3.4Å; I116-P339 WeakPolarHBondContact CB-O 3.26Å; I116-P339 WeakPolarHBondContact CG2-O 3.5Å; I116-P339 PolarHBondContact N-O 3.36Å; G337-P339 WeakPolarHBondContact O-CD 3.41Å; P339-D341 VanDerWaalsContact C-N 3.32Å
340	L	94.9	Very high	96.9	Very high	17 Å²	17	36.7 Å²	36.7	9%	0.089	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-8	177	-64.9	157.5	0	0	0	113.6	Y15 T106 T109 W110 N338	Y15-L340 HydrophobicContact CD1-CB 3.89Å; Y15-L340 HydrophobicContact CD1-CD1 3.77Å; Y15-L340 HydrophobicContact CD1-CG 4.48Å; Y15-L340 HydrophobicContact CE1-CB 3.71Å; Y15-L340 HydrophobicContact CE1-CD1 4.4Å; T106-L340 HydrophobicContact CG2-CD2 3.95Å; T109-L340 HydrophobicContact CG2-CD2 3.51Å; T109-L340 HydrophobicContact CG2-CG 3.77Å; W110-L340 HydrophobicContact CD2-CD1 3.75Å; W110-L340 HydrophobicContact CE3-CD1 4.17Å; W110-L340 HydrophobicContact CG-CD1 4.43Å; W110-L340 HydrophobicContact CH2-CD1 3.58Å; W110-L340 HydrophobicContact CZ2-CD1 3.09Å; W110-L340 HydrophobicContact CZ3-CD1 4.09Å; N338-L340 PolarHBondContact O-N 3.25Å; N338-L340 WeakPolarHBondContact OD1-CB 3.42Å; N338-L340 PolarHBondContact OD1-N 2.96Å
341	D	93.2	Very high	96.9	Very high	61 Å²	61	34.8 Å²	34.8	33%	0.326	19%	0.188	S	C	.	.	S	Bend	trans	-79.6	125.2	169.3	-170.1	-21	0	0	0	109.7	N338 P339 V343 T344	N338-D341 HydrophobicContact CB-CB 4.34Å; N338-D341 WeakPolarHBondContact O-CB 3.45Å; N338-D341 PolarHBondContact O-N 3.32Å; P339-D341 VanDerWaalsContact C-N 3.32Å; D341-V343 PolarHBondContact O-N 3.15Å; D341-V343 VanDerWaalsContact O-N 3.08Å; D341-V343 WeakPolarHBondContact OD1-CG2 3.22Å; D341-V343 PolarHBondContact OD1-N 3.08Å; D341-T344 WeakPolarHBondContact O-CB 3.29Å; D341-T344 PolarHBondContact O-N 3.31Å
342	S	92.3	Very high	96.8	Very high	76 Å²	76	39.2 Å²	39.2	53%	0.531	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.9	175.7	65.6	0	0	0	0	113.9	R117	R117-S342 PolarHBondContact NE-O 2.8Å; R117-S342 VanDerWaalsContact NE-O 3.11Å; R117-S342 PolarHBondContact NH2-O 3.03Å
343	V	95.4	Very high	96.8	Very high	63 Å²	63	35.8 Å²	35.8	38%	0.382	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.1	179.8	-52.1	0	0	0	0	114.4	R117 D341	R117-V343 PolarHBondContact NH2-O 3.09Å; D341-V343 PolarHBondContact O-N 3.15Å; D341-V343 VanDerWaalsContact O-N 3.08Å; D341-V343 WeakPolarHBondContact OD1-CG2 3.22Å; D341-V343 PolarHBondContact OD1-N 3.08Å
344	T	97.1	Very high	96.8	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.037	19%	0.186	C	C	.	.			trans	-76	125.2	173.1	-71.4	0	0	0	0	112	P115 R117 R335 N338 D341 M346	P115-T344 WeakPolarHBondContact CB-O 3.28Å; P115-T344 HydrophobicContact CG-CG2 4.45Å; R117-T344 PolarHBondContact NE-O 3.08Å; R117-T344 VanDerWaalsContact NE-O 3.07Å; R117-T344 PolarHBondContact NH1-O 3.41Å; R117-T344 PolarHBondContact NH2-O 3.16Å; R335-T344 CarbonylContact O-C 3.43Å; R335-T344 WeakPolarHBondContact O-CA 3.25Å; N338-T344 VanDerWaalsContact O-CB 3.26Å; N338-T344 WeakPolarHBondContact O-CB 3.27Å; N338-T344 PolarHBondContact O-OG1 2.72Å; D341-T344 WeakPolarHBondContact O-CB 3.29Å; D341-T344 PolarHBondContact O-N 3.31Å; T344-M346 VanDerWaalsContact CG2-O 3.29Å; T344-M346 WeakPolarHBondContact CG2-O 3.43Å
345	Q	98	Very high	96.8	Very high	74 Å²	74	32.7 Å²	32.7	35%	0.346	18%	0.181	S	C	.	.	S	Bend	trans	-102.6	-14.6	-179.6	-23.4	-171.3	-99.6	0	0	113.8	I334 R335	I334-Q345 HydrophobicContact CG2-CB 4.21Å; R335-Q345 HydrophobicContact CB-CG 3.93Å; R335-Q345 HydrophobicContact CG-CG 4.38Å; R335-Q345 VanDerWaalsContact N-OE1 3.12Å; R335-Q345 PolarHBondContact O-N 2.85Å
346	M	98.3	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-142.8	124.6	175.3	-167.6	177.3	77.8	0	0	109.5	A300 Q303 I334 R335 S336 G337 T344 L391 P393 P412	A300-M346 HydrophobicContact CB-SD 4.07Å; Q303-M346 HydrophobicContact CB-CG 4.12Å; Q303-M346 HydrophobicContact CG-CG 3.72Å; I334-M346 HydrophobicContact CG2-CB 3.71Å; R335-M346 PolarHBondContact O-N 3.22Å; S336-M346 VanDerWaalsContact CA-O 3.24Å; S336-M346 WeakPolarHBondContact CA-O 3.32Å; S336-M346 WeakPolarHBondContact CB-O 3.16Å; G337-M346 PolarHBondContact N-O 3.28Å; T344-M346 VanDerWaalsContact CG2-O 3.29Å; T344-M346 WeakPolarHBondContact CG2-O 3.43Å; M346-L391 WeakPolarHBondContact CE-O 3.32Å; M346-P393 HydrophobicContact CE-CB 4.28Å; M346-P393 HydrophobicContact CE-CG 4.25Å; M346-P393 HydrophobicContact SD-CB 4.06Å; M346-P393 HydrophobicContact SD-CG 4.5Å; M346-P412 HydrophobicContact SD-CB 3.83Å; M346-P412 HydrophobicContact SD-CG 4.13Å
347	G	98.1	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.			trans	-92.3	-149.9	-176.3	0	0	0	0	0	115	G113 Q303	G113-G347 VanDerWaalsContact O-CA 3.29Å; G113-G347 WeakPolarHBondContact O-CA 3.36Å; Q303-G347 VanDerWaalsContact CG-C 3.42Å; Q303-G347 VanDerWaalsContact CG-N 3.34Å; Q303-G347 WeakPolarHBondContact CG-O 3.39Å
348	A	98.4	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.			trans	-93.6	148.4	176.7	0	0	0	0	0	111.1	P47 G113 Q303 Y389 Y390	P47-A348 HydrophobicContact CB-CB 4.11Å; P47-A348 WeakPolarHBondContact O-CB 3.37Å; G113-A348 PolarHBondContact O-N 2.7Å; Q303-A348 PolarHBondContact NE2-O 2.87Å; A348-Y389 CarbonylContact C-O 3.6Å; A348-Y389 WeakPolarHBondContact CA-O 3.49Å; A348-Y390 HydrophobicContact CB-CD1 3.97Å; A348-Y390 HydrophobicContact CB-CE1 3.68Å; A348-Y390 HydrophobicContact CB-CE2 4.43Å; A348-Y390 HydrophobicContact CB-CG 4.48Å
349	Q	98.8	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.			trans	-62.3	147.1	167.8	-54.5	-53	-61.6	0	0	109.8	P47 Q303 E305 S351 L355 I358 Y389	P47-Q349 WeakPolarHBondContact CB-O 3.06Å; Q303-Q349 VanDerWaalsContact CB-NE2 3.29Å; E305-Q349 WeakPolarHBondContact OE1-CA 3.16Å; E305-Q349 PolarHBondContact OE1-OE1 3.48Å; Q349-S351 PolarHBondContact O-N 3.25Å; Q349-L355 HydrophobicContact CB-CB 4.49Å; Q349-L355 HydrophobicContact CG-CD1 4.14Å; Q349-I358 HydrophobicContact CG-CD1 3.88Å; Q349-Y389 WeakPolarHBondContact CG-O 3.48Å; Q349-Y389 PolarHBondContact N-O 2.87Å; Q349-Y389 WeakPolarHBondContact O-CB 3.31Å
350	V	98.6	Very high	97.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.03	21%	0.208	C	C	.	.	S	Bend	trans	-57.6	-26.8	-171.9	72.8	0	0	0	0	114.3	N112 W170 L198 T199 E305 Q354	N112-V350 WeakPolarHBondContact O-CA 3.19Å; W170-V350 HydrophobicContact CB-CG2 4.5Å; W170-V350 HydrophobicContact CD2-CB 4.38Å; W170-V350 HydrophobicContact CD2-CG1 3.86Å; W170-V350 HydrophobicContact CD2-CG2 4.22Å; W170-V350 HydrophobicContact CE3-CB 3.64Å; W170-V350 HydrophobicContact CE3-CG1 3.5Å; W170-V350 HydrophobicContact CE3-CG2 3.66Å; W170-V350 HydrophobicContact CH2-CB 4.23Å; W170-V350 HydrophobicContact CH2-CG1 3.49Å; W170-V350 VanDerWaalsContact CH2-CG1 3.49Å; W170-V350 HydrophobicContact CZ2-CG1 3.9Å; W170-V350 HydrophobicContact CZ3-CB 3.58Å; W170-V350 HydrophobicContact CZ3-CG1 3.34Å; W170-V350 HydrophobicContact CZ3-CG2 4.15Å; L198-V350 HydrophobicContact CB-CG2 3.99Å; L198-V350 HydrophobicContact CD1-CG1 3.92Å; L198-V350 HydrophobicContact CD1-CG2 4.29Å; T199-V350 HydrophobicContact CG2-CG2 3.67Å; E305-V350 PolarHBondContact OE1-N 3.09Å; E305-V350 PolarHBondContact OE2-N 3.03Å; V350-Q354 HydrophobicContact CG1-CB 4.04Å; V350-Q354 HydrophobicContact CG1-CG 4.27Å
351	S	98.3	Very high	97.7	Very high	21 Å²	21	37.3 Å²	37.3	15%	0.147	21%	0.21	C	C	.	.			trans	-156.1	160.1	-177.5	70.4	0	0	0	0	112.8	Q349 G353 Q354 L355 Y389	Q349-S351 PolarHBondContact O-N 3.25Å; S351-G353 VanDerWaalsContact C-N 3.27Å; S351-G353 PolarHBondContact O-N 3.17Å; S351-Q354 PolarHBondContact O-N 3.15Å; S351-Q354 WeakPolarHBondContact OG-CB 3.37Å; S351-Q354 PolarHBondContact OG-N 3.48Å; S351-Q354 VanDerWaalsContact OG-N 3.08Å; S351-L355 PolarHBondContact O-N 3.03Å; S351-Y389 VanDerWaalsContact CA-CD2 3.45Å
352	H	97.4	Very high	97.9	Very high	93 Å²	93	34.5 Å²	34.5	43%	0.431	20%	0.195	S	C	.	.	H	α-helix	trans	-59	-40	171.9	179.3	53.4	0	0	0	111.8	Q354 L355 E356 Y389	H352-Q354 VanDerWaalsContact C-N 3.34Å; H352-Q354 PolarHBondContact O-N 3.13Å; H352-L355 WeakPolarHBondContact O-CB 3.13Å; H352-L355 PolarHBondContact O-N 2.88Å; H352-E356 IonicContact CE1-OE1 2.66Å; H352-E356 PolarHBondContact CE1-OE1 3.32Å; H352-E356 VanDerWaalsContact CE1-OE1 3.27Å; H352-E356 IonicContact ND1-OE1 2.77Å; H352-E356 WeakPolarHBondContact O-CG 3.47Å; H352-E356 PolarHBondContact O-N 3.48Å; H352-Y389 HydrophobicContact CB-CD1 4.29Å; H352-Y389 HydrophobicContact CB-CE1 3.89Å; H352-Y389 HydrophobicContact CB-CE2 4.31Å; H352-Y389 VanDerWaalsContact N-CD2 3.29Å
353	G	98.2	Very high	98.3	Very high	43 Å²	43	33.8 Å²	33.8	44%	0.443	19%	0.185	S	C	.	.	H	α-helix	trans	-60.1	-43.6	176.5	0	0	0	0	0	112.3	S351 E356 T357	S351-G353 VanDerWaalsContact C-N 3.27Å; S351-G353 PolarHBondContact O-N 3.17Å; G353-E356 PolarHBondContact O-N 2.83Å; G353-T357 PolarHBondContact O-N 2.9Å; G353-T357 PolarHBondContact O-OG1 3.41Å
354	Q	98.4	Very high	98.4	Very high	29 Å²	29	31.6 Å²	31.6	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-65.4	-40.9	176.9	-172.3	56.9	26.1	0	0	111.9	W170 E305 V350 S351 H352 E356 T357 I358 I409 F410	W170-Q354 HydrophobicContact CH2-CG 4.24Å; E305-Q354 WeakPolarHBondContact OE1-CG 3.27Å; V350-Q354 HydrophobicContact CG1-CB 4.04Å; V350-Q354 HydrophobicContact CG1-CG 4.27Å; S351-Q354 PolarHBondContact O-N 3.15Å; S351-Q354 WeakPolarHBondContact OG-CB 3.37Å; S351-Q354 PolarHBondContact OG-N 3.48Å; S351-Q354 VanDerWaalsContact OG-N 3.08Å; H352-Q354 VanDerWaalsContact C-N 3.34Å; H352-Q354 PolarHBondContact O-N 3.13Å; Q354-E356 PolarHBondContact O-N 2.81Å; Q354-T357 WeakPolarHBondContact O-CB 3.33Å; Q354-T357 PolarHBondContact O-N 3.25Å; Q354-I358 HydrophobicContact CG-CD1 4Å; Q354-I358 WeakPolarHBondContact O-CD1 3.34Å; Q354-I358 VanDerWaalsContact O-CG1 3.24Å; Q354-I358 WeakPolarHBondContact O-CG1 3.06Å; Q354-I358 PolarHBondContact O-N 3.37Å; Q354-I409 PolarHBondContact NE2-O 2.87Å; Q354-F410 PolarHBondContact NE2-O 2.79Å
355	L	98.4	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-47.5	173.8	178.5	67.4	0	0	0	112	Q349 S351 H352 I358 L359 R378 L391	Q349-L355 HydrophobicContact CB-CB 4.49Å; Q349-L355 HydrophobicContact CG-CD1 4.14Å; S351-L355 PolarHBondContact O-N 3.03Å; H352-L355 WeakPolarHBondContact O-CB 3.13Å; H352-L355 PolarHBondContact O-N 2.88Å; L355-I358 PolarHBondContact O-N 3.31Å; L355-L359 HydrophobicContact CD1-CD1 4.39Å; L355-L359 HydrophobicContact CG-CD1 4.14Å; L355-L359 WeakPolarHBondContact O-CG 3.47Å; L355-L359 PolarHBondContact O-N 2.93Å; L355-R378 HydrophobicContact CD2-CG 4.31Å; L355-L391 HydrophobicContact CD1-CB 4.11Å; L355-L391 HydrophobicContact CD1-CD1 3.6Å; L355-L391 HydrophobicContact CD1-CG 4.46Å
356	E	98.6	Very high	98.5	Very high	90 Å²	90	32.2 Å²	32.2	42%	0.421	17%	0.172	S	C	.	.	H	α-helix	trans	-64.2	-41.2	177.9	-68.7	-59.7	135.3	0	0	112	H352 G353 Q354 I358 L359 N360	H352-E356 IonicContact CE1-OE1 2.66Å; H352-E356 PolarHBondContact CE1-OE1 3.32Å; H352-E356 VanDerWaalsContact CE1-OE1 3.27Å; H352-E356 IonicContact ND1-OE1 2.77Å; H352-E356 WeakPolarHBondContact O-CG 3.47Å; H352-E356 PolarHBondContact O-N 3.48Å; G353-E356 PolarHBondContact O-N 2.83Å; Q354-E356 PolarHBondContact O-N 2.81Å; E356-I358 VanDerWaalsContact C-N 3.32Å; E356-I358 PolarHBondContact O-N 3.16Å; E356-L359 PolarHBondContact O-N 2.9Å; E356-N360 WeakPolarHBondContact O-CB 3.23Å; E356-N360 PolarHBondContact O-N 3.44Å
357	T	98.6	Very high	98.5	Very high	60 Å²	60	39.7 Å²	39.7	37%	0.368	21%	0.205	S	C	.	.	H	α-helix	trans	-56.6	-46.7	173.9	-66	0	0	0	0	111.4	G353 Q354 N360 Y361	G353-T357 PolarHBondContact O-N 2.9Å; G353-T357 PolarHBondContact O-OG1 3.41Å; Q354-T357 WeakPolarHBondContact O-CB 3.33Å; Q354-T357 PolarHBondContact O-N 3.25Å; T357-N360 PolarHBondContact O-N 3.27Å; T357-Y361 HydrophobicContact CG2-CD2 3.98Å; T357-Y361 HydrophobicContact CG2-CE2 3.91Å; T357-Y361 VanDerWaalsContact O-CD2 3.32Å; T357-Y361 WeakPolarHBondContact O-CD2 3.26Å; T357-Y361 PolarHBondContact O-N 2.98Å; T357-Y361 VanDerWaalsContact O-N 3.07Å
358	I	98.7	Very high	98.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-45.8	-179.9	-64.3	158.9	0	0	0	111	Q349 Q354 L355 E356 N360 Y361 I362 L391 I409 V413	Q349-I358 HydrophobicContact CG-CD1 3.88Å; Q354-I358 HydrophobicContact CG-CD1 4Å; Q354-I358 WeakPolarHBondContact O-CD1 3.34Å; Q354-I358 VanDerWaalsContact O-CG1 3.24Å; Q354-I358 WeakPolarHBondContact O-CG1 3.06Å; Q354-I358 PolarHBondContact O-N 3.37Å; L355-I358 PolarHBondContact O-N 3.31Å; E356-I358 VanDerWaalsContact C-N 3.32Å; E356-I358 PolarHBondContact O-N 3.16Å; I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 PolarHBondContact O-N 3.07Å; I358-Y361 PolarHBondContact O-N 3.36Å; I358-Y361 VanDerWaalsContact O-N 3.14Å; I358-I362 HydrophobicContact CG2-CD1 4.13Å; I358-I362 WeakPolarHBondContact O-CG1 3.31Å; I358-I362 PolarHBondContact O-N 3.38Å; I358-L391 HydrophobicContact CB-CD1 4.34Å; I358-L391 HydrophobicContact CG2-CD1 3.79Å; I358-L391 HydrophobicContact CG2-CD2 3.94Å; I358-I409 HydrophobicContact CB-CG2 4.43Å; I358-I409 HydrophobicContact CG1-CG2 4.16Å; I358-I409 HydrophobicContact CG2-CG2 4.26Å; I358-V413 HydrophobicContact CG2-CG2 3.65Å
359	L	98.7	Very high	98.5	Very high	42 Å²	42	45.8 Å²	45.8	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-39.4	177.5	-71.3	170.5	0	0	0	111.9	L355 E356 I362 D363 R378 L391	L355-L359 HydrophobicContact CD1-CD1 4.39Å; L355-L359 HydrophobicContact CG-CD1 4.14Å; L355-L359 WeakPolarHBondContact O-CG 3.47Å; L355-L359 PolarHBondContact O-N 2.93Å; E356-L359 PolarHBondContact O-N 2.9Å; L359-I362 PolarHBondContact O-N 2.72Å; L359-D363 PolarHBondContact O-N 2.95Å; L359-R378 HydrophobicContact CD1-CB 4.4Å; L359-L391 HydrophobicContact CD2-CD1 3.72Å; L359-L391 HydrophobicContact CG-CD1 3.97Å
360	N	98.8	Very high	98.5	Very high	86 Å²	86	46.1 Å²	46.1	46%	0.46	25%	0.25	S	S	.	.	H	α-helix	trans	-63.6	-40	174.9	179.2	68.3	0	0	0	112.2	E356 T357 I358 D363 I364	E356-N360 WeakPolarHBondContact O-CB 3.23Å; E356-N360 PolarHBondContact O-N 3.44Å; T357-N360 PolarHBondContact O-N 3.27Å; I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 PolarHBondContact O-N 3.07Å; N360-D363 PolarHBondContact O-N 3.23Å; N360-I364 WeakPolarHBondContact ND2-CD1 3.35Å; N360-I364 VanDerWaalsContact O-CG1 3.31Å; N360-I364 WeakPolarHBondContact O-CG1 3.32Å; N360-I364 PolarHBondContact O-N 3.04Å
361	Y	98.8	Very high	98.5	Very high	34 Å²	34	50.7 Å²	50.7	13%	0.133	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-36.9	174.3	-87.9	-70.3	0	0	0	113.3	T357 I358 D363 I364 G365 V404 E407 I409	T357-Y361 HydrophobicContact CG2-CD2 3.98Å; T357-Y361 HydrophobicContact CG2-CE2 3.91Å; T357-Y361 VanDerWaalsContact O-CD2 3.32Å; T357-Y361 WeakPolarHBondContact O-CD2 3.26Å; T357-Y361 PolarHBondContact O-N 2.98Å; T357-Y361 VanDerWaalsContact O-N 3.07Å; I358-Y361 PolarHBondContact O-N 3.36Å; I358-Y361 VanDerWaalsContact O-N 3.14Å; Y361-D363 VanDerWaalsContact C-N 3.3Å; Y361-D363 PolarHBondContact O-N 3.08Å; Y361-I364 HydrophobicContact CD1-CD1 4.18Å; Y361-I364 PolarHBondContact O-N 2.86Å; Y361-G365 PolarHBondContact O-N 2.86Å; Y361-V404 VanDerWaalsContact O-CG1 3.27Å; Y361-V404 WeakPolarHBondContact O-CG1 3.26Å; Y361-E407 HydrophobicContact CE1-CB 3.9Å; Y361-E407 VanDerWaalsContact CE1-OE2 3.27Å; Y361-E407 WeakPolarHBondContact CE1-OE2 3.45Å; Y361-E407 PolarHBondContact OH-OE2 3.05Å; Y361-E407 VanDerWaalsContact OH-OE2 3.1Å; Y361-I409 HydrophobicContact CD1-CG1 3.95Å; Y361-I409 HydrophobicContact CD2-CB 4.24Å; Y361-I409 HydrophobicContact CD2-CG1 4.12Å; Y361-I409 HydrophobicContact CD2-CG2 3.93Å; Y361-I409 HydrophobicContact CE1-CG1 4.47Å; Y361-I409 HydrophobicContact CG-CB 4.33Å; Y361-I409 HydrophobicContact CG-CD1 4.39Å; Y361-I409 HydrophobicContact CG-CG1 3.75Å; Y361-I409 HydrophobicContact CG-CG2 4.06Å
362	I	98.8	Very high	98.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-41.9	173.5	-66.7	165.3	0	0	0	110.3	I358 L359 G365 K366 L391 T394 V413	I358-I362 HydrophobicContact CG2-CD1 4.13Å; I358-I362 WeakPolarHBondContact O-CG1 3.31Å; I358-I362 PolarHBondContact O-N 3.38Å; L359-I362 PolarHBondContact O-N 2.72Å; I362-G365 PolarHBondContact O-N 3.35Å; I362-K366 HydrophobicContact CG2-CD 4.42Å; I362-K366 WeakPolarHBondContact O-CG 2.97Å; I362-K366 PolarHBondContact O-N 3.04Å; I362-K366 VanDerWaalsContact O-N 3.08Å; I362-L391 HydrophobicContact CD1-CD1 4.4Å; I362-L391 HydrophobicContact CD1-CD2 4.19Å; I362-T394 HydrophobicContact CD1-CG2 4.33Å; I362-T394 HydrophobicContact CG1-CG2 4.33Å; I362-V413 HydrophobicContact CD1-CG2 3.94Å; I362-V413 HydrophobicContact CG1-CG1 4.36Å; I362-V413 HydrophobicContact CG1-CG2 3.88Å
363	D	98.7	Very high	98.6	Very high	61 Å²	61	50.4 Å²	50.4	33%	0.326	28%	0.276	S	S	.	.	H	α-helix	trans	-66.1	-40.4	176.1	-176.6	59.7	0	0	0	112.5	L359 N360 Y361 G365 K366 K367	L359-D363 PolarHBondContact O-N 2.95Å; N360-D363 PolarHBondContact O-N 3.23Å; Y361-D363 VanDerWaalsContact C-N 3.3Å; Y361-D363 PolarHBondContact O-N 3.08Å; D363-G365 VanDerWaalsContact C-N 3.35Å; D363-G365 PolarHBondContact O-N 3.28Å; D363-K366 PolarHBondContact O-N 2.93Å; D363-K367 WeakPolarHBondContact O-CG 3.39Å; D363-K367 PolarHBondContact O-N 2.92Å; D363-K367 IonicContact OD1-NZ 3.62Å; D363-K367 WeakPolarHBondContact OD2-CE 3.24Å; D363-K367 IonicContact OD2-NZ 2.63Å; D363-K367 PolarHBondContact OD2-NZ 3.45Å
364	I	98.7	Very high	98.6	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.092	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-48.7	171.4	-71.5	159.7	0	0	0	110.4	N360 Y361 K366 K367 E368 R403	N360-I364 WeakPolarHBondContact ND2-CD1 3.35Å; N360-I364 VanDerWaalsContact O-CG1 3.31Å; N360-I364 WeakPolarHBondContact O-CG1 3.32Å; N360-I364 PolarHBondContact O-N 3.04Å; Y361-I364 HydrophobicContact CD1-CD1 4.18Å; Y361-I364 PolarHBondContact O-N 2.86Å; I364-K366 PolarHBondContact O-N 3.03Å; I364-K367 PolarHBondContact O-N 3.41Å; I364-K367 VanDerWaalsContact O-N 3.13Å; I364-E368 HydrophobicContact CG2-CG 4.43Å; I364-E368 WeakPolarHBondContact O-CG 3.48Å; I364-E368 PolarHBondContact O-N 3.06Å; I364-R403 HydrophobicContact CG2-CB 3.96Å
365	G	98.7	Very high	98.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-46.3	178.4	0	0	0	0	0	112.5	Y361 I362 D363 K367 E368 G369 A370	Y361-G365 PolarHBondContact O-N 2.86Å; I362-G365 PolarHBondContact O-N 3.35Å; D363-G365 VanDerWaalsContact C-N 3.35Å; D363-G365 PolarHBondContact O-N 3.28Å; G365-K367 VanDerWaalsContact C-N 3.33Å; G365-K367 PolarHBondContact O-N 3.21Å; G365-E368 PolarHBondContact O-N 3.16Å; G365-G369 PolarHBondContact O-N 3.1Å; G365-A370 VanDerWaalsContact O-CB 3.26Å; G365-A370 WeakPolarHBondContact O-CB 3.37Å; G365-A370 PolarHBondContact O-N 3.39Å
366	K	98.5	Very high	98.6	Very high	93 Å²	93	49.1 Å²	49.1	40%	0.404	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-42.3	175.5	-70.6	168	-178.9	165.7	0	112	I362 D363 I364 E368 G369 V372 G376	I362-K366 HydrophobicContact CG2-CD 4.42Å; I362-K366 WeakPolarHBondContact O-CG 2.97Å; I362-K366 PolarHBondContact O-N 3.04Å; I362-K366 VanDerWaalsContact O-N 3.08Å; D363-K366 PolarHBondContact O-N 2.93Å; I364-K366 PolarHBondContact O-N 3.03Å; K366-E368 VanDerWaalsContact C-N 3.34Å; K366-G369 PolarHBondContact O-N 2.89Å; K366-G369 VanDerWaalsContact O-N 3.16Å; K366-V372 HydrophobicContact CD-CG2 4.29Å; K366-V372 VanDerWaalsContact CE-CG2 3.44Å; K366-V372 HydrophobicContact CG-CG2 3.9Å; K366-G376 PolarHBondContact NZ-O 3.39Å
367	K	98.6	Very high	98.5	Very high	157 Å²	157	53.2 Å²	53.2	68%	0.683	28%	0.278	S	S	*	.	H	α-helix	trans	-68.6	-30.9	178.9	-74.4	169.9	175.2	168.1	0	113.2	D363 I364 G365 G369	D363-K367 WeakPolarHBondContact O-CG 3.39Å; D363-K367 PolarHBondContact O-N 2.92Å; D363-K367 IonicContact OD1-NZ 3.62Å; D363-K367 WeakPolarHBondContact OD2-CE 3.24Å; D363-K367 IonicContact OD2-NZ 2.63Å; D363-K367 PolarHBondContact OD2-NZ 3.45Å; I364-K367 PolarHBondContact O-N 3.41Å; I364-K367 VanDerWaalsContact O-N 3.13Å; G365-K367 VanDerWaalsContact C-N 3.33Å; G365-K367 PolarHBondContact O-N 3.21Å; K367-G369 PolarHBondContact O-N 3.44Å
368	E	98.3	Very high	98.5	Very high	75 Å²	75	54.3 Å²	54.3	35%	0.35	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.2	173.6	-69.8	-178.1	170.3	0	0	113	I364 G365 K366 M402 R403	I364-E368 HydrophobicContact CG2-CG 4.43Å; I364-E368 WeakPolarHBondContact O-CG 3.48Å; I364-E368 PolarHBondContact O-N 3.06Å; G365-E368 PolarHBondContact O-N 3.16Å; K366-E368 VanDerWaalsContact C-N 3.34Å; E368-M402 HydrophobicContact CB-CG 4.2Å; E368-M402 HydrophobicContact CB-SD 4.48Å; E368-M402 WeakPolarHBondContact O-CE 3Å; E368-M402 WeakPolarHBondContact OE2-CA 3.49Å; E368-M402 VanDerWaalsContact OE2-CB 3.26Å; E368-M402 WeakPolarHBondContact OE2-CB 3.42Å; E368-R403 VanDerWaalsContact OE1-CD 3.32Å; E368-R403 WeakPolarHBondContact OE1-CD 3.14Å; E368-R403 WeakPolarHBondContact OE1-CG 3.29Å; E368-R403 PolarHBondContact OE2-N 3.18Å
369	G	98.2	Very high	98.4	Very high	53 Å²	53	57.2 Å²	57.2	55%	0.546	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	19.1	175.1	0	0	0	0	0	114.6	G365 K366 K367	G365-G369 PolarHBondContact O-N 3.1Å; K366-G369 PolarHBondContact O-N 2.89Å; K366-G369 VanDerWaalsContact O-N 3.16Å; K367-G369 PolarHBondContact O-N 3.44Å
370	A	98.6	Very high	98.2	Very high	7 Å²	7	61.4 Å²	61.4	6%	0.058	31%	0.31	C	S	.	.			trans	-73.2	136.2	172	0	0	0	0	0	111.4	G365 L396 F397 M402	G365-A370 VanDerWaalsContact O-CB 3.26Å; G365-A370 WeakPolarHBondContact O-CB 3.37Å; G365-A370 PolarHBondContact O-N 3.39Å; A370-L396 HydrophobicContact CB-CB 4.24Å; A370-F397 CarbonylContact C-O 3.53Å; A370-F397 WeakPolarHBondContact CA-O 3.36Å; A370-F397 WeakPolarHBondContact CB-O 3.07Å; A370-M402 HydrophobicContact CB-SD 4.07Å
371	D	98.7	Very high	98.1	Very high	100 Å²	100	58.9 Å²	58.9	54%	0.535	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.3	174.5	-68.9	-46.5	0	0	0	110.2	L373 L396 F397	D371-L373 HydrophobicContact CB-CD2 4.39Å; D371-L373 PolarHBondContact O-N 2.83Å; D371-L396 CarbonylContact O-C 3.53Å; D371-L396 VanDerWaalsContact O-CA 3.3Å; D371-L396 WeakPolarHBondContact O-CA 3.41Å; D371-F397 HydrophobicContact CB-CB 4.34Å; D371-F397 PolarHBondContact N-O 2.72Å; D371-F397 PolarHBondContact O-N 2.73Å
372	V	98.7	Very high	97.8	Very high	55 Å²	55	65.8 Å²	65.8	33%	0.333	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	105.7	172.2	-174.9	0	0	0	0	108.6	K366 T374 L396	K366-V372 HydrophobicContact CD-CG2 4.29Å; K366-V372 VanDerWaalsContact CE-CG2 3.44Å; K366-V372 HydrophobicContact CG-CG2 3.9Å; V372-T374 WeakPolarHBondContact CG1-O 3.22Å; V372-L396 HydrophobicContact CB-CD2 4.32Å; V372-L396 HydrophobicContact CG1-CD2 4.45Å; V372-L396 HydrophobicContact CG2-CD2 3.76Å
373	L	98.8	Very high	97.4	Very high	53 Å²	53	68.4 Å²	68.4	28%	0.277	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-33.6	179.2	-58.8	-173.6	0	0	0	112.1	M324 I328 D371 I395 F397	M324-L373 HydrophobicContact CE-CD1 3.61Å; I328-L373 HydrophobicContact CD1-CB 4.05Å; I328-L373 HydrophobicContact CD1-CD1 4.21Å; D371-L373 HydrophobicContact CB-CD2 4.39Å; D371-L373 PolarHBondContact O-N 2.83Å; L373-I395 HydrophobicContact CB-CB 4.18Å; L373-I395 HydrophobicContact CB-CG2 4.14Å; L373-I395 HydrophobicContact CD1-CG2 3.9Å; L373-I395 HydrophobicContact CG-CG2 4.35Å; L373-I395 PolarHBondContact N-O 2.78Å; L373-F397 HydrophobicContact CD1-CB 3.94Å; L373-F397 HydrophobicContact CD2-CB 4.13Å; L373-F397 HydrophobicContact CG-CB 4Å
374	T	98.7	Very high	97	Very high	21 Å²	21	68.8 Å²	68.8	13%	0.129	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	160.4	171.2	-163.5	0	0	0	0	110.9	I328 V331 E332 V372 T394 I395	I328-T374 HydrophobicContact CG2-CG2 4.49Å; V331-T374 HydrophobicContact CG1-CG2 4.06Å; E332-T374 HydrophobicContact CG-CG2 4.45Å; E332-T374 VanDerWaalsContact CG-OG1 3.27Å; E332-T374 WeakPolarHBondContact CG-OG1 3.21Å; E332-T374 PolarHBondContact OE1-OG1 2.92Å; V372-T374 WeakPolarHBondContact CG1-O 3.22Å; T374-T394 WeakPolarHBondContact O-CA 3.32Å; T374-I395 HydrophobicContact CG2-CB 4.12Å; T374-I395 HydrophobicContact CG2-CD1 3.8Å; T374-I395 HydrophobicContact CG2-CG1 3.82Å; T374-I395 PolarHBondContact O-N 2.77Å; T374-I395 VanDerWaalsContact O-N 3.15Å
375	G	98.3	Very high	96.9	Very high	20 Å²	20	68.7 Å²	68.7	21%	0.206	36%	0.357	C	S	.	.			trans	67.6	-133.9	-179.7	0	0	0	0	0	114.5	E392	G375-E392 WeakPolarHBondContact CA-OE2 3.36Å
376	G	97.3	Very high	96.7	Very high	5 Å²	5	74.5 Å²	74.5	5%	0.052	38%	0.382	C	S	.	.			trans	93.4	15.7	173.9	0	0	0	0	0	115.3	K366 T394	K366-G376 PolarHBondContact NZ-O 3.39Å; G376-T394 WeakPolarHBondContact CA-OG1 3.46Å; G376-T394 PolarHBondContact N-OG1 2.88Å
377	R	97.5	Very high	96.5	Very high	175 Å²	175	74.5 Å²	74.5	66%	0.66	39%	0.387	S	S	*	.	S	Bend	trans	-144.2	160.6	-176.3	-50.7	178.5	-166.2	-177.6	4	112.3	E392	R377-E392 WeakPolarHBondContact CB-OE2 3.48Å; R377-E392 PolarHBondContact O-N 3.38Å
378	R	97.5	Very high	96.4	Very high	84 Å²	84	67.1 Å²	67.1	32%	0.317	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-61.2	134.6	165	-176	178.9	178	171.5	-2.2	108.9	L355 L359 L380 G388 Y390	L355-R378 HydrophobicContact CD2-CG 4.31Å; L359-R378 HydrophobicContact CD1-CB 4.4Å; R378-L380 HydrophobicContact CG-CD2 4.19Å; R378-G388 PolarHBondContact NH2-O 3.06Å; R378-G388 VanDerWaalsContact NH2-O 3.17Å; R378-Y390 VanDerWaalsContact CG-O 3.31Å; R378-Y390 WeakPolarHBondContact CG-O 3.42Å
379	K	97.1	Very high	96.4	Very high	60 Å²	60	65 Å²	65	26%	0.261	34%	0.344	S	S	.	.			trans	-90.9	116.5	172.9	-173.5	165	-177.1	162.8	0	108.6	S336 L381 Y390 E392	S336-K379 PolarHBondContact OG-NZ 2.96Å; K379-L381 HydrophobicContact CD-CD2 4.24Å; K379-L381 HydrophobicContact CG-CD2 3.93Å; K379-Y390 PolarHBondContact N-O 2.95Å; K379-Y390 WeakPolarHBondContact O-CB 3.28Å; K379-E392 HydrophobicContact CB-CG 4.13Å
380	L	95.5	Very high	96.4	Very high	130 Å²	130	62.6 Å²	62.6	68%	0.681	32%	0.319	S	S	*	.			trans	-90.7	112.2	176.2	-61.5	177.9	0	0	0	108.4	R378	R378-L380 HydrophobicContact CG-CD2 4.19Å
381	L	95.2	Very high	96.4	Very high	33 Å²	33	62.3 Å²	62.3	17%	0.173	32%	0.316	C	S	.	.			trans	-89.7	160.4	171.7	-58.3	-170.9	0	0	0	109.9	K379 L385 K386 Y390	K379-L381 HydrophobicContact CD-CD2 4.24Å; K379-L381 HydrophobicContact CG-CD2 3.93Å; L381-L385 HydrophobicContact CB-CB 3.76Å; L381-L385 HydrophobicContact CD1-CB 4.07Å; L381-L385 HydrophobicContact CD1-CD1 3.72Å; L381-K386 WeakPolarHBondContact O-CA 3.36Å; L381-K386 WeakPolarHBondContact O-CB 3.47Å; L381-Y390 HydrophobicContact CB-CD2 4.42Å; L381-Y390 HydrophobicContact CD1-CD1 3.74Å; L381-Y390 HydrophobicContact CD1-CD2 3.59Å; L381-Y390 HydrophobicContact CD1-CE1 3.73Å; L381-Y390 HydrophobicContact CD1-CE2 3.59Å; L381-Y390 HydrophobicContact CD1-CG 3.66Å; L381-Y390 HydrophobicContact CG-CD2 3.83Å; L381-Y390 HydrophobicContact CG-CE2 4.24Å; L381-Y390 HydrophobicContact CG-CG 3.98Å
382	E	92.4	Very high	96.4	Very high	179 Å²	179	60.5 Å²	60.5	84%	0.836	31%	0.305	S	S	*	.			trans	-97.7	173.8	-179.2	-63.1	-174.1	171.9	0	0	112.1	E384 L385	E382-E384 PolarHBondContact O-N 3.29Å; E382-L385 PolarHBondContact O-N 2.98Å
383	G	91.5	Very high	96.4	Very high	58 Å²	58	58.5 Å²	58.5	60%	0.598	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	63.6	-134.2	175	0	0	0	0	0	112.8	L385 K386	G383-L385 PolarHBondContact O-N 2.8Å; G383-K386 WeakPolarHBondContact O-CG 3.43Å; G383-K386 PolarHBondContact O-N 2.96Å
384	E	90.5	Very high	96.4	Very high	68 Å²	68	56 Å²	56	32%	0.318	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-72.9	-11.5	-176.3	-65.3	177.1	135	0	0	113.5	Q9 I10 T49 E382	Q9-E384 WeakPolarHBondContact CA-OE2 3.42Å; Q9-E384 VanDerWaalsContact CB-OE1 3.27Å; Q9-E384 WeakPolarHBondContact CB-OE1 3.18Å; Q9-E384 WeakPolarHBondContact CG-OE1 3.38Å; I10-E384 HydrophobicContact CB-CB 4.19Å; I10-E384 WeakPolarHBondContact CB-OE2 3.38Å; I10-E384 WeakPolarHBondContact CG1-OE2 3.49Å; I10-E384 PolarHBondContact N-OE2 3.01Å; T49-E384 WeakPolarHBondContact CG2-O 3.23Å; E382-E384 PolarHBondContact O-N 3.29Å
385	L	95.2	Very high	96.4	Very high	16 Å²	16	55 Å²	55	8%	0.084	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-93.2	-3.4	178.8	-56.3	-176.9	0	0	0	113.5	I10 V48 T49 N338 L381 E382 G383 D387 G388 Y390	I10-L385 HydrophobicContact CD1-CD2 4.05Å; I10-L385 HydrophobicContact CD1-CG 4.18Å; I10-L385 HydrophobicContact CG2-CD2 3.98Å; V48-L385 HydrophobicContact CG1-CD2 3.89Å; T49-L385 HydrophobicContact CG2-CD2 4.18Å; N338-L385 HydrophobicContact CB-CD1 3.98Å; L381-L385 HydrophobicContact CB-CB 3.76Å; L381-L385 HydrophobicContact CD1-CB 4.07Å; L381-L385 HydrophobicContact CD1-CD1 3.72Å; E382-L385 PolarHBondContact O-N 2.98Å; G383-L385 PolarHBondContact O-N 2.8Å; L385-D387 PolarHBondContact O-N 2.87Å; L385-D387 VanDerWaalsContact O-N 3.16Å; L385-G388 PolarHBondContact O-N 2.77Å; L385-Y390 HydrophobicContact CB-CE2 4.04Å; L385-Y390 WeakPolarHBondContact O-CE2 3.5Å
386	K	95	Very high	96.4	Very high	122 Å²	122	54 Å²	54	53%	0.53	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.8	-173	73.2	-176.5	-175.5	175.9	0	114.3	L381 G383	L381-K386 WeakPolarHBondContact O-CA 3.36Å; L381-K386 WeakPolarHBondContact O-CB 3.47Å; G383-K386 WeakPolarHBondContact O-CG 3.43Å; G383-K386 PolarHBondContact O-N 2.96Å
387	D	95.2	Very high	96.5	Very high	94 Å²	94	56.1 Å²	56.1	50%	0.503	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.5	-177.6	-62.4	-46.8	0	0	0	112.2	T49 L385 Y389	T49-D387 WeakPolarHBondContact O-CB 3.22Å; L385-D387 PolarHBondContact O-N 2.87Å; L385-D387 VanDerWaalsContact O-N 3.16Å; D387-Y389 WeakPolarHBondContact O-CE1 3.47Å
388	G	96.9	Very high	96.6	Very high	1 Å²	1	48 Å²	48	1%	0.01	24%	0.242	C	C	.	.	S	Bend	trans	-74.1	170.1	173.4	0	0	0	0	0	113.7	P47 V48 R378 L385 Y390	P47-G388 VanDerWaalsContact O-CA 3.25Å; P47-G388 WeakPolarHBondContact O-CA 3.46Å; V48-G388 WeakPolarHBondContact O-CA 3.45Å; R378-G388 PolarHBondContact NH2-O 3.06Å; R378-G388 VanDerWaalsContact NH2-O 3.17Å; L385-G388 PolarHBondContact O-N 2.77Å; G388-Y390 PolarHBondContact O-N 2.64Å
389	Y	98.2	Very high	96.6	Very high	32 Å²	32	49.1 Å²	49.1	13%	0.125	25%	0.251	C	S	.	.			trans	-104	64.7	-167	-49.2	-32.8	0	0	0	112.7	P47 A348 Q349 S351 H352 D387	P47-Y389 HydrophobicContact CB-CD2 3.58Å; P47-Y389 HydrophobicContact CB-CE2 4.05Å; P47-Y389 HydrophobicContact CB-CG 4.5Å; P47-Y389 PolarHBondContact O-N 3.04Å; P47-Y389 VanDerWaalsContact O-N 3.09Å; A348-Y389 CarbonylContact C-O 3.6Å; A348-Y389 WeakPolarHBondContact CA-O 3.49Å; Q349-Y389 WeakPolarHBondContact CG-O 3.48Å; Q349-Y389 PolarHBondContact N-O 2.87Å; Q349-Y389 WeakPolarHBondContact O-CB 3.31Å; S351-Y389 VanDerWaalsContact CA-CD2 3.45Å; H352-Y389 HydrophobicContact CB-CD1 4.29Å; H352-Y389 HydrophobicContact CB-CE1 3.89Å; H352-Y389 HydrophobicContact CB-CE2 4.31Å; H352-Y389 VanDerWaalsContact N-CD2 3.29Å; D387-Y389 WeakPolarHBondContact O-CE1 3.47Å
390	Y	98.5	Very high	96.7	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	24%	0.241	C	C	.	.			trans	-96.1	143.6	-174.2	-56.8	-85.3	0	0	0	113.1	V48 G337 A348 R378 K379 L381 L385 G388	V48-Y390 PolarHBondContact O-OH 3.11Å; V48-Y390 VanDerWaalsContact O-OH 3.05Å; G337-Y390 VanDerWaalsContact O-CE1 3.3Å; G337-Y390 WeakPolarHBondContact O-CE1 3.24Å; A348-Y390 HydrophobicContact CB-CD1 3.97Å; A348-Y390 HydrophobicContact CB-CE1 3.68Å; A348-Y390 HydrophobicContact CB-CE2 4.43Å; A348-Y390 HydrophobicContact CB-CG 4.48Å; R378-Y390 VanDerWaalsContact CG-O 3.31Å; R378-Y390 WeakPolarHBondContact CG-O 3.42Å; K379-Y390 PolarHBondContact N-O 2.95Å; K379-Y390 WeakPolarHBondContact O-CB 3.28Å; L381-Y390 HydrophobicContact CB-CD2 4.42Å; L381-Y390 HydrophobicContact CD1-CD1 3.74Å; L381-Y390 HydrophobicContact CD1-CD2 3.59Å; L381-Y390 HydrophobicContact CD1-CE1 3.73Å; L381-Y390 HydrophobicContact CD1-CE2 3.59Å; L381-Y390 HydrophobicContact CD1-CG 3.66Å; L381-Y390 HydrophobicContact CG-CD2 3.83Å; L381-Y390 HydrophobicContact CG-CE2 4.24Å; L381-Y390 HydrophobicContact CG-CG 3.98Å; L385-Y390 HydrophobicContact CB-CE2 4.04Å; L385-Y390 WeakPolarHBondContact O-CE2 3.5Å; G388-Y390 PolarHBondContact O-N 2.64Å
391	L	98.2	Very high	96.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-131.3	154.4	179.5	-162.8	121.2	0	0	0	109.9	M346 L355 I358 L359 I362 P412	M346-L391 WeakPolarHBondContact CE-O 3.32Å; L355-L391 HydrophobicContact CD1-CB 4.11Å; L355-L391 HydrophobicContact CD1-CD1 3.6Å; L355-L391 HydrophobicContact CD1-CG 4.46Å; I358-L391 HydrophobicContact CB-CD1 4.34Å; I358-L391 HydrophobicContact CG2-CD1 3.79Å; I358-L391 HydrophobicContact CG2-CD2 3.94Å; L359-L391 HydrophobicContact CD2-CD1 3.72Å; L359-L391 HydrophobicContact CG-CD1 3.97Å; I362-L391 HydrophobicContact CD1-CD1 4.4Å; I362-L391 HydrophobicContact CD1-CD2 4.19Å; L391-P412 HydrophobicContact CB-CG 4.44Å; L391-P412 HydrophobicContact CD2-CG 3.7Å
392	E	98.5	Very high	96.9	Very high	63 Å²	63	46.2 Å²	46.2	29%	0.294	24%	0.239	S	C	.	.			trans	-81.5	133.6	171.7	-63.8	177.3	147.8	0	0	110.3	G375 R377 K379 T394	G375-E392 WeakPolarHBondContact CA-OE2 3.36Å; R377-E392 WeakPolarHBondContact CB-OE2 3.48Å; R377-E392 PolarHBondContact O-N 3.38Å; K379-E392 HydrophobicContact CB-CG 4.13Å; E392-T394 PolarHBondContact O-N 3.22Å; E392-T394 VanDerWaalsContact O-N 3.1Å; E392-T394 PolarHBondContact O-OG1 2.98Å
393	P	98.6	Very high	97.2	Very high	13 Å²	13	42.1 Å²	42.1	8%	0.084	22%	0.216	C	C	.	.			trans	-60.4	123.4	175.1	29.2	-31.6	0	0	0	108.2	F299 V331 I334 M346	F299-P393 HydrophobicContact CE2-CB 4.24Å; F299-P393 HydrophobicContact CZ-CB 4.11Å; V331-P393 HydrophobicContact CG1-CB 3.87Å; V331-P393 HydrophobicContact CG1-CG 3.92Å; I334-P393 HydrophobicContact CD1-CB 4.43Å; I334-P393 HydrophobicContact CD1-CG 4.43Å; M346-P393 HydrophobicContact CE-CB 4.28Å; M346-P393 HydrophobicContact CE-CG 4.25Å; M346-P393 HydrophobicContact SD-CB 4.06Å; M346-P393 HydrophobicContact SD-CG 4.5Å
394	T	98.9	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.2	-165.5	-59.7	0	0	0	0	110.3	I362 T374 G376 E392 L396 P412 V413 L414	I362-T394 HydrophobicContact CD1-CG2 4.33Å; I362-T394 HydrophobicContact CG1-CG2 4.33Å; T374-T394 WeakPolarHBondContact O-CA 3.32Å; G376-T394 WeakPolarHBondContact CA-OG1 3.46Å; G376-T394 PolarHBondContact N-OG1 2.88Å; E392-T394 PolarHBondContact O-N 3.22Å; E392-T394 VanDerWaalsContact O-N 3.1Å; E392-T394 PolarHBondContact O-OG1 2.98Å; T394-L396 HydrophobicContact CG2-CD2 3.83Å; T394-L396 HydrophobicContact CG2-CG 4.13Å; T394-P412 PolarHBondContact N-O 3.1Å; T394-V413 HydrophobicContact CG2-CG1 4.32Å; T394-V413 CarbonylContact O-C 3.48Å; T394-V413 WeakPolarHBondContact O-CA 3.35Å; T394-L414 PolarHBondContact O-N 3.12Å
395	I	98.9	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.5	172.7	-56.4	173	0	0	0	108.5	F296 F299 M324 I328 V331 L373 T374 L414 V416	F296-I395 HydrophobicContact CE1-CD1 3.85Å; F296-I395 HydrophobicContact CZ-CD1 4.3Å; F299-I395 HydrophobicContact CE1-CG1 4.43Å; F299-I395 HydrophobicContact CZ-CG1 4.13Å; M324-I395 HydrophobicContact CE-CG2 4.16Å; I328-I395 HydrophobicContact CG1-CD1 4.04Å; V331-I395 HydrophobicContact CB-CD1 4.09Å; V331-I395 HydrophobicContact CG1-CD1 4.07Å; V331-I395 HydrophobicContact CG1-CG1 4.32Å; V331-I395 HydrophobicContact CG2-CD1 4.01Å; L373-I395 HydrophobicContact CB-CB 4.18Å; L373-I395 HydrophobicContact CB-CG2 4.14Å; L373-I395 HydrophobicContact CD1-CG2 3.9Å; L373-I395 HydrophobicContact CG-CG2 4.35Å; L373-I395 PolarHBondContact N-O 2.78Å; T374-I395 HydrophobicContact CG2-CB 4.12Å; T374-I395 HydrophobicContact CG2-CD1 3.8Å; T374-I395 HydrophobicContact CG2-CG1 3.82Å; T374-I395 PolarHBondContact O-N 2.77Å; T374-I395 VanDerWaalsContact O-N 3.15Å; I395-L414 WeakPolarHBondContact CA-O 3.37Å; I395-L414 HydrophobicContact CG1-CB 4.49Å; I395-V416 HydrophobicContact CG2-CB 4.44Å; I395-V416 HydrophobicContact CG2-CG2 3.4Å
396	L	98.9	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.1	177.2	-57	-179.3	0	0	0	109.4	A370 D371 V372 T394 V404 V413 L414 A415 V416	A370-L396 HydrophobicContact CB-CB 4.24Å; D371-L396 CarbonylContact O-C 3.53Å; D371-L396 VanDerWaalsContact O-CA 3.3Å; D371-L396 WeakPolarHBondContact O-CA 3.41Å; V372-L396 HydrophobicContact CB-CD2 4.32Å; V372-L396 HydrophobicContact CG1-CD2 4.45Å; V372-L396 HydrophobicContact CG2-CD2 3.76Å; T394-L396 HydrophobicContact CG2-CD2 3.83Å; T394-L396 HydrophobicContact CG2-CG 4.13Å; L396-V404 HydrophobicContact CD1-CB 4.28Å; L396-V404 HydrophobicContact CD1-CG1 4.09Å; L396-V404 HydrophobicContact CD1-CG2 4.25Å; L396-V413 HydrophobicContact CD1-CG1 3.83Å; L396-V413 HydrophobicContact CG-CG1 4.15Å; L396-L414 PolarHBondContact N-O 2.7Å; L396-A415 CarbonylContact O-C 3.47Å; L396-A415 WeakPolarHBondContact O-CA 3.23Å; L396-V416 PolarHBondContact O-N 3.1Å
397	F	98.9	Very high	98.3	Very high	49 Å²	49	34.2 Å²	34.2	22%	0.215	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.8	170.7	178.4	-100.4	0	0	0	110.6	Y320 A370 D371 L373 V416 T418	Y320-F397 HydrophobicContact CE1-CE2 4.44Å; Y320-F397 AromaticContact CE2-CD2 3.85Å; Y320-F397 HydrophobicContact CE2-CD2 3.85Å; Y320-F397 AromaticContact CE2-CE2 3.69Å; Y320-F397 HydrophobicContact CE2-CE2 3.69Å; Y320-F397 AromaticContact CZ-CD2 3.69Å; Y320-F397 AromaticContact CZ-CE2 3.61Å; Y320-F397 WeakPolarHBondContact OH-CD2 3.48Å; Y320-F397 WeakPolarHBondContact OH-CE2 3.45Å; A370-F397 CarbonylContact C-O 3.53Å; A370-F397 WeakPolarHBondContact CA-O 3.36Å; A370-F397 WeakPolarHBondContact CB-O 3.07Å; D371-F397 HydrophobicContact CB-CB 4.34Å; D371-F397 PolarHBondContact N-O 2.72Å; D371-F397 PolarHBondContact O-N 2.73Å; L373-F397 HydrophobicContact CD1-CB 3.94Å; L373-F397 HydrophobicContact CD2-CB 4.13Å; L373-F397 HydrophobicContact CG-CB 4Å; F397-V416 WeakPolarHBondContact CA-O 3.39Å; F397-V416 HydrophobicContact CD2-CG1 4.5Å; F397-V416 WeakPolarHBondContact CD2-O 3.44Å; F397-T418 HydrophobicContact CE2-CG2 4.33Å
398	G	98.7	Very high	98.4	Very high	5 Å²	5	31.6 Å²	31.6	5%	0.052	15%	0.149	C	C	.	.			trans	-172.6	-152.9	-176.9	0	0	0	0	0	114.4	V416 T417	G398-V416 PolarHBondContact N-O 2.8Å; G398-T417 VanDerWaalsContact O-CB 3.25Å; G398-T417 WeakPolarHBondContact O-CB 3.4Å; G398-T417 PolarHBondContact O-OG1 2.78Å
399	Q	98.4	Very high	98.5	Very high	107 Å²	107	31.9 Å²	31.9	50%	0.5	15%	0.151	S	C	.	.			trans	-116.2	144.9	-175.4	-61.3	-61.8	-26.9	0	0	111	N401 M402 F405	Q399-N401 WeakPolarHBondContact CB-OD1 3.5Å; Q399-N401 PolarHBondContact O-N 3.1Å; Q399-M402 HydrophobicContact CB-CE 4.18Å; Q399-M402 HydrophobicContact CB-CG 4.45Å; Q399-M402 HydrophobicContact CG-CE 4.27Å; Q399-M402 PolarHBondContact N-SD 2.81Å; Q399-M402 WeakPolarHBondContact O-CB 3.27Å; Q399-M402 WeakPolarHBondContact O-CG 3.3Å; Q399-M402 PolarHBondContact O-N 3.24Å; Q399-F405 WeakPolarHBondContact O-CD2 3.37Å; Q399-F405 WeakPolarHBondContact O-CE2 3.4Å
400	N	98.2	Very high	98.5	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.048	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23	-172.7	-169.5	65.5	0	0	0	114	R312 M402 F405 Q406 L428 D431	R312-N400 PolarHBondContact NH1-OD1 3.19Å; N400-M402 VanDerWaalsContact C-N 3.31Å; N400-M402 PolarHBondContact O-N 3.26Å; N400-F405 VanDerWaalsContact O-CB 3.22Å; N400-F405 WeakPolarHBondContact O-CB 3Å; N400-Q406 PolarHBondContact ND2-NE2 3.4Å; N400-Q406 WeakPolarHBondContact O-CG 3.4Å; N400-Q406 PolarHBondContact O-NE2 3.11Å; N400-L428 HydrophobicContact CB-CD2 3.78Å; N400-D431 PolarHBondContact ND2-O 3.15Å; N400-D431 PolarHBondContact ND2-OD2 3.36Å
401	N	97.6	Very high	98.5	Very high	132 Å²	132	32.2 Å²	32.2	71%	0.706	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.4	178.5	66.5	-14.7	0	0	0	114.4	Q399	Q399-N401 WeakPolarHBondContact CB-OD1 3.5Å; Q399-N401 PolarHBondContact O-N 3.1Å
402	M	98.7	Very high	98.5	Very high	21 Å²	21	32.1 Å²	32.1	10%	0.103	15%	0.153	C	C	.	.	S	Bend	trans	-69.7	151.4	175.5	-66.5	175.2	178.7	0	0	111.1	E368 A370 Q399 N400 V404 F405 Q406	E368-M402 HydrophobicContact CB-CG 4.2Å; E368-M402 HydrophobicContact CB-SD 4.48Å; E368-M402 WeakPolarHBondContact O-CE 3Å; E368-M402 WeakPolarHBondContact OE2-CA 3.49Å; E368-M402 VanDerWaalsContact OE2-CB 3.26Å; E368-M402 WeakPolarHBondContact OE2-CB 3.42Å; A370-M402 HydrophobicContact CB-SD 4.07Å; Q399-M402 HydrophobicContact CB-CE 4.18Å; Q399-M402 HydrophobicContact CB-CG 4.45Å; Q399-M402 HydrophobicContact CG-CE 4.27Å; Q399-M402 PolarHBondContact N-SD 2.81Å; Q399-M402 WeakPolarHBondContact O-CB 3.27Å; Q399-M402 WeakPolarHBondContact O-CG 3.3Å; Q399-M402 PolarHBondContact O-N 3.24Å; N400-M402 VanDerWaalsContact C-N 3.31Å; N400-M402 PolarHBondContact O-N 3.26Å; M402-V404 VanDerWaalsContact C-N 3.25Å; M402-V404 HydrophobicContact CB-CG2 4.19Å; M402-V404 PolarHBondContact O-N 2.92Å; M402-F405 HydrophobicContact CB-CD2 3.97Å; M402-F405 WeakPolarHBondContact O-CA 3.42Å; M402-F405 WeakPolarHBondContact O-CB 3.36Å; M402-F405 PolarHBondContact O-N 3.27Å; M402-F405 HydrophobicContact SD-CE2 4.37Å; M402-Q406 PolarHBondContact O-N 2.65Å
403	R	98.6	Very high	98.5	Very high	92 Å²	92	29.2 Å²	29.2	35%	0.347	14%	0.14	S	C	.	.	H	α-helix	trans	-60.2	-35.9	-179.7	-70.6	-179.3	66.7	-157	-6.5	112.4	I364 E368 F405 Q406 E407	I364-R403 HydrophobicContact CG2-CB 3.96Å; E368-R403 VanDerWaalsContact OE1-CD 3.32Å; E368-R403 WeakPolarHBondContact OE1-CD 3.14Å; E368-R403 WeakPolarHBondContact OE1-CG 3.29Å; E368-R403 PolarHBondContact OE2-N 3.18Å; R403-F405 PolarHBondContact O-N 3.43Å; R403-F405 VanDerWaalsContact O-N 3.16Å; R403-Q406 PolarHBondContact O-N 3.18Å; R403-E407 WeakPolarHBondContact CG-OE1 3.49Å; R403-E407 IonicContact CZ-OE1 3.49Å; R403-E407 IonicContact CZ-OE2 2.78Å; R403-E407 VanDerWaalsContact CZ-OE2 3.31Å; R403-E407 VanDerWaalsContact NE-CD 3.29Å; R403-E407 IonicContact NE-OE1 2.75Å; R403-E407 PolarHBondContact NE-OE1 2.84Å; R403-E407 IonicContact NE-OE2 3.56Å; R403-E407 PolarHBondContact NE-OE2 2.84Å; R403-E407 VanDerWaalsContact NE-OE2 3.12Å; R403-E407 IonicContact NH2-OE1 3.99Å; R403-E407 IonicContact NH2-OE2 3.55Å; R403-E407 PolarHBondContact NH2-OE2 3.01Å; R403-E407 WeakPolarHBondContact O-CB 3.45Å; R403-E407 PolarHBondContact O-N 3.29Å
404	V	98.4	Very high	98.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.7	-15.7	176.3	-62.7	0	0	0	0	113.6	K272 Y361 L396 M402 I409	K272-V404 WeakPolarHBondContact CE-O 3.41Å; K272-V404 PolarHBondContact NZ-O 2.62Å; Y361-V404 VanDerWaalsContact O-CG1 3.27Å; Y361-V404 WeakPolarHBondContact O-CG1 3.26Å; L396-V404 HydrophobicContact CD1-CB 4.28Å; L396-V404 HydrophobicContact CD1-CG1 4.09Å; L396-V404 HydrophobicContact CD1-CG2 4.25Å; M402-V404 VanDerWaalsContact C-N 3.25Å; M402-V404 HydrophobicContact CB-CG2 4.19Å; M402-V404 PolarHBondContact O-N 2.92Å; V404-I409 HydrophobicContact CB-CD1 4.21Å; V404-I409 HydrophobicContact CG1-CD1 4.3Å
405	F	98.7	Very high	98.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-95	-31.7	168.7	-72.4	-102.8	0	0	0	112.2	K272 R312 Q399 N400 M402 R403 A415 V416 T417	K272-F405 VanDerWaalsContact CE-O 3.29Å; K272-F405 WeakPolarHBondContact CE-O 3.46Å; K272-F405 WeakPolarHBondContact CG-O 3.12Å; R312-F405 VanDerWaalsContact CD-O 3.25Å; R312-F405 WeakPolarHBondContact CD-O 3.48Å; R312-F405 HydrophobicContact CG-CD1 4.11Å; Q399-F405 WeakPolarHBondContact O-CD2 3.37Å; Q399-F405 WeakPolarHBondContact O-CE2 3.4Å; N400-F405 VanDerWaalsContact O-CB 3.22Å; N400-F405 WeakPolarHBondContact O-CB 3Å; M402-F405 HydrophobicContact CB-CD2 3.97Å; M402-F405 WeakPolarHBondContact O-CA 3.42Å; M402-F405 WeakPolarHBondContact O-CB 3.36Å; M402-F405 PolarHBondContact O-N 3.27Å; M402-F405 HydrophobicContact SD-CE2 4.37Å; R403-F405 PolarHBondContact O-N 3.43Å; R403-F405 VanDerWaalsContact O-N 3.16Å; F405-A415 HydrophobicContact CD1-CB 3.73Å; F405-A415 HydrophobicContact CD2-CB 3.72Å; F405-A415 HydrophobicContact CE1-CB 3.68Å; F405-A415 HydrophobicContact CE2-CB 3.7Å; F405-A415 HydrophobicContact CG-CB 3.77Å; F405-A415 HydrophobicContact CZ-CB 3.67Å; F405-V416 WeakPolarHBondContact CZ-O 3.01Å; F405-T417 HydrophobicContact CE1-CG2 3.93Å
406	Q	98.4	Very high	98.5	Very high	44 Å²	44	28.7 Å²	28.7	21%	0.206	14%	0.136	C	C	.	.	H	α-helix	trans	-90.8	-28	-173.4	-68.3	-59.5	-45.6	0	0	114.4	N400 M402 R403 D431 Y434	N400-Q406 PolarHBondContact ND2-NE2 3.4Å; N400-Q406 WeakPolarHBondContact O-CG 3.4Å; N400-Q406 PolarHBondContact O-NE2 3.11Å; M402-Q406 PolarHBondContact O-N 2.65Å; R403-Q406 PolarHBondContact O-N 3.18Å; Q406-D431 PolarHBondContact NE2-O 2.69Å; Q406-Y434 WeakPolarHBondContact O-CE2 3.27Å
407	E	98.5	Very high	98.5	Very high	55 Å²	55	29 Å²	29	26%	0.257	14%	0.138	S	C	.	.	S	Bend	trans	-108.4	144.2	-173	-63.4	173.3	-159.7	0	0	111.8	K272 Y361 R403 I409	K272-E407 VanDerWaalsContact CD-O 3.26Å; K272-E407 WeakPolarHBondContact CD-O 3.4Å; K272-E407 WeakPolarHBondContact CE-O 3.06Å; K272-E407 PolarHBondContact NZ-O 3.12Å; Y361-E407 HydrophobicContact CE1-CB 3.9Å; Y361-E407 VanDerWaalsContact CE1-OE2 3.27Å; Y361-E407 WeakPolarHBondContact CE1-OE2 3.45Å; Y361-E407 PolarHBondContact OH-OE2 3.05Å; Y361-E407 VanDerWaalsContact OH-OE2 3.1Å; R403-E407 WeakPolarHBondContact CG-OE1 3.49Å; R403-E407 IonicContact CZ-OE1 3.49Å; R403-E407 IonicContact CZ-OE2 2.78Å; R403-E407 VanDerWaalsContact CZ-OE2 3.31Å; R403-E407 VanDerWaalsContact NE-CD 3.29Å; R403-E407 IonicContact NE-OE1 2.75Å; R403-E407 PolarHBondContact NE-OE1 2.84Å; R403-E407 IonicContact NE-OE2 3.56Å; R403-E407 PolarHBondContact NE-OE2 2.84Å; R403-E407 VanDerWaalsContact NE-OE2 3.12Å; R403-E407 IonicContact NH2-OE1 3.99Å; R403-E407 IonicContact NH2-OE2 3.55Å; R403-E407 PolarHBondContact NH2-OE2 3.01Å; R403-E407 WeakPolarHBondContact O-CB 3.45Å; R403-E407 PolarHBondContact O-N 3.29Å; E407-I409 PolarHBondContact O-N 2.85Å
408	E	98.4	Very high	98.5	Very high	38 Å²	38	28.1 Å²	28.1	18%	0.178	14%	0.136	C	C	.	.			trans	-73.4	117.7	175.4	-175.5	174.5	-128.6	0	0	109.4	G270 G271 F410	G270-E408 WeakPolarHBondContact CA-OE1 3.32Å; G270-E408 VanDerWaalsContact CA-OE2 3.27Å; G270-E408 WeakPolarHBondContact CA-OE2 3.18Å; G271-E408 PolarHBondContact N-OE1 2.72Å; G271-E408 WeakPolarHBondContact O-CB 3.38Å; G271-E408 WeakPolarHBondContact O-CG 3.47Å; E408-F410 HydrophobicContact CG-CB 4.26Å; E408-F410 HydrophobicContact CG-CD2 3.97Å; E408-F410 WeakPolarHBondContact OE1-CD2 3.4Å
409	I	98.3	Very high	98.5	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.036	13%	0.134	C	C	.	.			trans	-89.2	-38.2	179.1	-57.9	172.9	0	0	0	110.1	Q354 I358 Y361 V404 E407 V413	Q354-I409 PolarHBondContact NE2-O 2.87Å; I358-I409 HydrophobicContact CB-CG2 4.43Å; I358-I409 HydrophobicContact CG1-CG2 4.16Å; I358-I409 HydrophobicContact CG2-CG2 4.26Å; Y361-I409 HydrophobicContact CD1-CG1 3.95Å; Y361-I409 HydrophobicContact CD2-CB 4.24Å; Y361-I409 HydrophobicContact CD2-CG1 4.12Å; Y361-I409 HydrophobicContact CD2-CG2 3.93Å; Y361-I409 HydrophobicContact CE1-CG1 4.47Å; Y361-I409 HydrophobicContact CG-CB 4.33Å; Y361-I409 HydrophobicContact CG-CD1 4.39Å; Y361-I409 HydrophobicContact CG-CG1 3.75Å; Y361-I409 HydrophobicContact CG-CG2 4.06Å; V404-I409 HydrophobicContact CB-CD1 4.21Å; V404-I409 HydrophobicContact CG1-CD1 4.3Å; E407-I409 PolarHBondContact O-N 2.85Å; I409-V413 HydrophobicContact CD1-CB 4.07Å; I409-V413 HydrophobicContact CD1-CG1 3.94Å; I409-V413 HydrophobicContact CG2-CB 4.45Å; I409-V413 HydrophobicContact CG2-CG2 4.32Å
410	F	98.2	Very high	98.6	Very high	38 Å²	38	28.4 Å²	28.4	17%	0.167	14%	0.135	C	C	.	.			trans	60.6	52	-179.7	-143.4	-100.9	0	0	0	113	W170 N171 G304 E305 C307 Q354 E408	W170-F410 AromaticContact CH2-CD1 3.31Å; W170-F410 HydrophobicContact CH2-CD1 3.31Å; W170-F410 AromaticContact CH2-CE1 3.24Å; W170-F410 HydrophobicContact CH2-CE1 3.24Å; W170-F410 AromaticContact CZ2-CD1 3.52Å; W170-F410 HydrophobicContact CZ2-CD1 3.52Å; W170-F410 AromaticContact CZ2-CE1 3.44Å; W170-F410 HydrophobicContact CZ2-CE1 3.44Å; W170-F410 VanDerWaalsContact CZ2-CE1 3.44Å; W170-F410 HydrophobicContact CZ3-CD1 4.27Å; W170-F410 AromaticContact CZ3-CE1 3.83Å; W170-F410 HydrophobicContact CZ3-CE1 3.83Å; N171-F410 HydrophobicContact CB-CE1 3.87Å; N171-F410 HydrophobicContact CB-CZ 4.01Å; N171-F410 VanDerWaalsContact ND2-CZ 3.34Å; N171-F410 WeakPolarHBondContact ND2-CZ 3.44Å; G304-F410 CarbonylContact O-C 3.6Å; E305-F410 HydrophobicContact CB-CD1 3.88Å; E305-F410 HydrophobicContact CB-CE1 3.82Å; E305-F410 HydrophobicContact CG-CD1 4.21Å; E305-F410 WeakPolarHBondContact CG-O 3.37Å; C307-F410 HydrophobicContact CB-CE2 4.31Å; Q354-F410 PolarHBondContact NE2-O 2.79Å; E408-F410 HydrophobicContact CG-CB 4.26Å; E408-F410 HydrophobicContact CG-CD2 3.97Å; E408-F410 WeakPolarHBondContact OE1-CD2 3.4Å
411	G	98.6	Very high	98.6	Very high	2 Å²	2	31 Å²	31	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	-162	-178.1	177.8	0	0	0	0	0	110.1	Q303 G304 V413	Q303-G411 CarbonylContact O-C 3.23Å; Q303-G411 WeakPolarHBondContact O-CA 3.43Å; G304-G411 PolarHBondContact O-N 3.49Å; G411-V413 PolarHBondContact O-N 2.84Å
412	P	98.4	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-85.2	63.3	-170.1	34	-28.9	0	0	0	109.5	F299 Q303 M346 L391 T394	F299-P412 HydrophobicContact CE2-CB 4.46Å; F299-P412 WeakPolarHBondContact CE2-O 3.41Å; Q303-P412 WeakPolarHBondContact O-CB 3.45Å; Q303-P412 WeakPolarHBondContact O-CD 3.47Å; Q303-P412 WeakPolarHBondContact O-CG 3.25Å; M346-P412 HydrophobicContact SD-CB 3.83Å; M346-P412 HydrophobicContact SD-CG 4.13Å; L391-P412 HydrophobicContact CB-CG 4.44Å; L391-P412 HydrophobicContact CD2-CG 3.7Å; T394-P412 PolarHBondContact N-O 3.1Å
413	V	98.9	Very high	98.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.9	179.9	-174	0	0	0	0	108.8	I358 I362 T394 L396 I409 G411	I358-V413 HydrophobicContact CG2-CG2 3.65Å; I362-V413 HydrophobicContact CD1-CG2 3.94Å; I362-V413 HydrophobicContact CG1-CG1 4.36Å; I362-V413 HydrophobicContact CG1-CG2 3.88Å; T394-V413 HydrophobicContact CG2-CG1 4.32Å; T394-V413 CarbonylContact O-C 3.48Å; T394-V413 WeakPolarHBondContact O-CA 3.35Å; L396-V413 HydrophobicContact CD1-CG1 3.83Å; L396-V413 HydrophobicContact CG-CG1 4.15Å; I409-V413 HydrophobicContact CD1-CB 4.07Å; I409-V413 HydrophobicContact CD1-CG1 3.94Å; I409-V413 HydrophobicContact CG2-CB 4.45Å; I409-V413 HydrophobicContact CG2-CG2 4.32Å; G411-V413 PolarHBondContact O-N 2.84Å
414	L	98.9	Very high	98.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.3	178.1	-179.6	57.8	0	0	0	110.4	F296 F299 P310 A313 T394 I395 L396 V416	F296-L414 HydrophobicContact CD1-CD2 4.06Å; F296-L414 HydrophobicContact CD2-CD2 4.23Å; F296-L414 HydrophobicContact CE1-CD2 3.47Å; F296-L414 VanDerWaalsContact CE1-CD2 3.47Å; F296-L414 HydrophobicContact CE2-CD2 3.69Å; F296-L414 HydrophobicContact CG-CD2 4.41Å; F296-L414 HydrophobicContact CZ-CD2 3.27Å; F296-L414 HydrophobicContact CZ-CG 4.49Å; F299-L414 HydrophobicContact CB-CB 4.4Å; F299-L414 HydrophobicContact CB-CD1 4.44Å; F299-L414 HydrophobicContact CD1-CB 3.88Å; F299-L414 HydrophobicContact CD1-CD2 3.71Å; F299-L414 HydrophobicContact CD1-CG 4.31Å; F299-L414 HydrophobicContact CD2-CB 3.81Å; F299-L414 HydrophobicContact CE1-CB 4.02Å; F299-L414 HydrophobicContact CE1-CD2 3.93Å; F299-L414 HydrophobicContact CE2-CB 3.96Å; F299-L414 HydrophobicContact CG-CB 3.76Å; F299-L414 HydrophobicContact CG-CD2 4.3Å; F299-L414 HydrophobicContact CG-CG 4.45Å; F299-L414 HydrophobicContact CZ-CB 4.06Å; P310-L414 WeakPolarHBondContact O-CD1 3.49Å; A313-L414 HydrophobicContact CB-CD1 3.94Å; A313-L414 HydrophobicContact CB-CD2 4.06Å; A313-L414 HydrophobicContact CB-CG 4.24Å; T394-L414 PolarHBondContact O-N 3.12Å; I395-L414 WeakPolarHBondContact CA-O 3.37Å; I395-L414 HydrophobicContact CG1-CB 4.49Å; L396-L414 PolarHBondContact N-O 2.7Å; L414-V416 HydrophobicContact CD2-CG2 4.04Å; L414-V416 HydrophobicContact CG-CG2 3.84Å
415	A	98.9	Very high	98.7	Very high	1 Å²	1	30 Å²	30	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.3	169.6	0	0	0	0	0	109.7	S311 R312 A313 L396 F405	S311-A415 PolarHBondContact O-N 2.74Å; R312-A415 CarbonylContact C-O 3.52Å; R312-A415 VanDerWaalsContact CA-O 3.27Å; R312-A415 WeakPolarHBondContact CA-O 3.49Å; A313-A415 PolarHBondContact N-O 3.47Å; L396-A415 CarbonylContact O-C 3.47Å; L396-A415 WeakPolarHBondContact O-CA 3.23Å; F405-A415 HydrophobicContact CD1-CB 3.73Å; F405-A415 HydrophobicContact CD2-CB 3.72Å; F405-A415 HydrophobicContact CE1-CB 3.68Å; F405-A415 HydrophobicContact CE2-CB 3.7Å; F405-A415 HydrophobicContact CG-CB 3.77Å; F405-A415 HydrophobicContact CZ-CB 3.67Å
416	V	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.6	-173.7	-174.1	0	0	0	0	110.3	F296 A313 V315 Y320 M324 I395 L396 F397 G398 F405 L414	F296-V416 HydrophobicContact CE2-CG2 4.28Å; F296-V416 HydrophobicContact CZ-CG2 3.99Å; A313-V416 HydrophobicContact CB-CG1 4.42Å; A313-V416 HydrophobicContact CB-CG2 4.16Å; A313-V416 WeakPolarHBondContact O-CA 3.33Å; V315-V416 HydrophobicContact CG2-CG1 4.39Å; Y320-V416 HydrophobicContact CE2-CG1 4.2Å; M324-V416 HydrophobicContact CE-CG1 4.16Å; M324-V416 HydrophobicContact CE-CG2 4.27Å; M324-V416 HydrophobicContact SD-CG1 3.98Å; I395-V416 HydrophobicContact CG2-CB 4.44Å; I395-V416 HydrophobicContact CG2-CG2 3.4Å; L396-V416 PolarHBondContact O-N 3.1Å; F397-V416 WeakPolarHBondContact CA-O 3.39Å; F397-V416 HydrophobicContact CD2-CG1 4.5Å; F397-V416 WeakPolarHBondContact CD2-O 3.44Å; G398-V416 PolarHBondContact N-O 2.8Å; F405-V416 WeakPolarHBondContact CZ-O 3.01Å; L414-V416 HydrophobicContact CD2-CG2 4.04Å; L414-V416 HydrophobicContact CG-CG2 3.84Å
417	T	98.8	Very high	98.7	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	179.2	168.3	-161.2	0	0	0	0	110.5	A313 L314 V315 G398 F405 L428	A313-T417 PolarHBondContact O-N 3.36Å; L314-T417 HydrophobicContact CD2-CG2 3.48Å; L314-T417 VanDerWaalsContact CD2-CG2 3.48Å; V315-T417 PolarHBondContact N-O 2.93Å; G398-T417 VanDerWaalsContact O-CB 3.25Å; G398-T417 WeakPolarHBondContact O-CB 3.4Å; G398-T417 PolarHBondContact O-OG1 2.78Å; F405-T417 HydrophobicContact CE1-CG2 3.93Å; T417-L428 HydrophobicContact CG2-CD1 4.49Å
418	T	98.9	Very high	98.7	Very high	30 Å²	30	35.2 Å²	35.2	18%	0.184	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	163.2	-178.9	60.5	0	0	0	0	112.7	V315 Y320 F397	V315-T418 WeakPolarHBondContact O-CA 3.06Å; V315-T418 WeakPolarHBondContact O-CB 3.27Å; Y320-T418 HydrophobicContact CD1-CG2 4.48Å; Y320-T418 HydrophobicContact CD2-CG2 3.32Å; Y320-T418 HydrophobicContact CE2-CG2 3.94Å; Y320-T418 HydrophobicContact CG-CG2 3.64Å; F397-T418 HydrophobicContact CE2-CG2 4.33Å
419	F	98.9	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.1	169.5	68.4	-89.5	0	0	0	109.5	I276 F278 L314 V315 Q316 E317 T421 E424 A425 L428	I276-F419 HydrophobicContact CG2-CE1 3.63Å; I276-F419 HydrophobicContact CG2-CZ 3.73Å; F278-F419 AromaticContact CD1-CE2 3.77Å; F278-F419 HydrophobicContact CD1-CE2 3.77Å; F278-F419 AromaticContact CD1-CZ 3.82Å; F278-F419 HydrophobicContact CD1-CZ 3.82Å; F278-F419 AromaticContact CE1-CE2 3.52Å; F278-F419 HydrophobicContact CE1-CE2 3.52Å; F278-F419 AromaticContact CE1-CZ 3.8Å; F278-F419 HydrophobicContact CE1-CZ 3.8Å; F278-F419 HydrophobicContact CE2-CZ 4.49Å; F278-F419 HydrophobicContact CG-CZ 4.22Å; F278-F419 HydrophobicContact CZ-CE2 4.15Å; F278-F419 HydrophobicContact CZ-CZ 4.14Å; L314-F419 HydrophobicContact CB-CD1 3.8Å; L314-F419 HydrophobicContact CB-CE1 4.08Å; L314-F419 WeakPolarHBondContact O-CE1 3.48Å; V315-F419 PolarHBondContact O-N 3.35Å; Q316-F419 CarbonylContact C-O 3.57Å; Q316-F419 VanDerWaalsContact CA-O 3.32Å; Q316-F419 WeakPolarHBondContact CA-O 3.34Å; Q316-F419 HydrophobicContact CB-CD2 4.41Å; Q316-F419 HydrophobicContact CB-CE1 4.1Å; Q316-F419 HydrophobicContact CB-CE2 3.77Å; Q316-F419 HydrophobicContact CB-CZ 3.62Å; Q316-F419 HydrophobicContact CG-CD2 4.16Å; Q316-F419 HydrophobicContact CG-CE2 3.72Å; Q316-F419 HydrophobicContact CG-CZ 4.12Å; Q316-F419 VanDerWaalsContact N-CE1 3.34Å; E317-F419 PolarHBondContact N-O 3.01Å; F419-T421 VanDerWaalsContact CD2-O 3.23Å; F419-T421 WeakPolarHBondContact CD2-O 3.38Å; F419-E424 HydrophobicContact CB-CB 4.44Å; F419-E424 HydrophobicContact CB-CG 4.1Å; F419-A425 HydrophobicContact CB-CB 4.41Å; F419-A425 HydrophobicContact CD1-CB 4.19Å; F419-A425 HydrophobicContact CD2-CB 3.63Å; F419-A425 HydrophobicContact CE1-CB 4.34Å; F419-A425 HydrophobicContact CE2-CB 3.81Å; F419-A425 HydrophobicContact CG-CB 3.81Å; F419-A425 HydrophobicContact CZ-CB 4.14Å; F419-L428 HydrophobicContact CB-CD1 4.06Å
420	K	98.8	Very high	98.7	Very high	118 Å²	118	34.7 Å²	34.7	51%	0.513	17%	0.171	S	C	.	.	S	Bend	trans	-102.9	-42.3	-179.7	-60	177.8	-174.4	-174.7	0	111.9	Q316 E317 E424	Q316-K420 PolarHBondContact NE2-O 3.03Å; E317-K420 HydrophobicContact CB-CG 4.3Å; E317-K420 VanDerWaalsContact CD-CE 3.49Å; E317-K420 VanDerWaalsContact OE1-CE 3.24Å; E317-K420 WeakPolarHBondContact OE1-CE 3.25Å; E317-K420 IonicContact OE1-NZ 3.84Å; E317-K420 WeakPolarHBondContact OE2-CE 3.45Å; E317-K420 WeakPolarHBondContact OE2-CG 3.25Å; E317-K420 IonicContact OE2-NZ 3.93Å; K420-E424 WeakPolarHBondContact CB-OE2 3.42Å; K420-E424 PolarHBondContact N-OE2 3.09Å
421	T	98.7	Very high	98.8	Very high	64 Å²	64	37 Å²	37	39%	0.393	19%	0.185	S	C	.	.	S	Bend	trans	-121.6	164	-174.1	71.8	0	0	0	0	112.8	F419 E423 E424 A425	F419-T421 VanDerWaalsContact CD2-O 3.23Å; F419-T421 WeakPolarHBondContact CD2-O 3.38Å; T421-E423 WeakPolarHBondContact CB-OE2 3.35Å; T421-E423 PolarHBondContact O-N 3.31Å; T421-E423 PolarHBondContact OG1-OE2 3.14Å; T421-E424 PolarHBondContact O-N 3Å; T421-E424 PolarHBondContact OG1-N 2.85Å; T421-A425 PolarHBondContact O-N 3.35Å
422	M	98.5	Very high	98.7	Very high	42 Å²	42	37.6 Å²	37.6	21%	0.207	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-38.1	175.1	-174.2	-166.7	71.2	0	0	111.3	F278 A425 L426 L447 K450 M451	F278-M422 HydrophobicContact CE1-CB 4.32Å; F278-M422 HydrophobicContact CZ-CG 4.32Å; M422-A425 WeakPolarHBondContact O-CB 3.45Å; M422-A425 PolarHBondContact O-N 3.31Å; M422-L426 PolarHBondContact O-N 3.01Å; M422-L447 HydrophobicContact CB-CD1 4.15Å; M422-L447 HydrophobicContact CG-CD1 3.67Å; M422-L447 HydrophobicContact SD-CD1 3.57Å; M422-L447 VanDerWaalsContact SD-CD1 3.57Å; M422-K450 HydrophobicContact SD-CB 4.06Å; M422-K450 HydrophobicContact SD-CD 4.31Å; M422-M451 HydrophobicContact CG-CG 4.02Å; M422-M451 HydrophobicContact CG-SD 3.32Å; M422-M451 WeakPolarHBondContact CG-SD 3.48Å; M422-M451 HydrophobicContact SD-SD 4.3Å
423	E	98.7	Very high	98.7	Very high	119 Å²	119	42.3 Å²	42.3	56%	0.556	21%	0.211	S	C	*	.	H	α-helix	trans	-63.9	-45.6	179.6	-64.7	70	-153.8	0	0	111	T421 L426 E427	T421-E423 WeakPolarHBondContact CB-OE2 3.35Å; T421-E423 PolarHBondContact O-N 3.31Å; T421-E423 PolarHBondContact OG1-OE2 3.14Å; E423-L426 PolarHBondContact O-N 3.21Å; E423-E427 PolarHBondContact O-N 3.38Å
424	E	98.8	Very high	98.7	Very high	63 Å²	63	43.5 Å²	43.5	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-64.4	-40.8	174.9	-175.7	-179.6	-171.4	0	0	111.4	F419 K420 T421 L426 E427 L428	F419-E424 HydrophobicContact CB-CB 4.44Å; F419-E424 HydrophobicContact CB-CG 4.1Å; K420-E424 WeakPolarHBondContact CB-OE2 3.42Å; K420-E424 PolarHBondContact N-OE2 3.09Å; T421-E424 PolarHBondContact O-N 3Å; T421-E424 PolarHBondContact OG1-N 2.85Å; E424-L426 VanDerWaalsContact C-N 3.3Å; E424-L426 PolarHBondContact O-N 3.04Å; E424-E427 PolarHBondContact O-N 3.43Å; E424-L428 HydrophobicContact CG-CD1 4.13Å; E424-L428 HydrophobicContact CG-CG 4.45Å; E424-L428 WeakPolarHBondContact O-CB 3.37Å; E424-L428 WeakPolarHBondContact O-CG 3.39Å; E424-L428 PolarHBondContact O-N 3.13Å
425	A	98.9	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-40.9	174.8	0	0	0	0	0	112.1	I276 F278 F419 T421 M422 A429 M451	I276-A425 HydrophobicContact CG2-CB 4.16Å; F278-A425 HydrophobicContact CZ-CB 4.25Å; F419-A425 HydrophobicContact CB-CB 4.41Å; F419-A425 HydrophobicContact CD1-CB 4.19Å; F419-A425 HydrophobicContact CD2-CB 3.63Å; F419-A425 HydrophobicContact CE1-CB 4.34Å; F419-A425 HydrophobicContact CE2-CB 3.81Å; F419-A425 HydrophobicContact CG-CB 3.81Å; F419-A425 HydrophobicContact CZ-CB 4.14Å; T421-A425 PolarHBondContact O-N 3.35Å; M422-A425 WeakPolarHBondContact O-CB 3.45Å; M422-A425 PolarHBondContact O-N 3.31Å; A425-A429 WeakPolarHBondContact O-CB 3.4Å; A425-A429 PolarHBondContact O-N 3.24Å; A425-M451 HydrophobicContact CB-CE 3.87Å
426	L	98.7	Very high	98.6	Very high	34 Å²	34	43.7 Å²	43.7	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-67.3	-40.9	176.2	-78.4	173.5	0	0	0	112.3	M422 E423 E424 N430 M451 I455	M422-L426 PolarHBondContact O-N 3.01Å; E423-L426 PolarHBondContact O-N 3.21Å; E424-L426 VanDerWaalsContact C-N 3.3Å; E424-L426 PolarHBondContact O-N 3.04Å; L426-N430 VanDerWaalsContact O-CB 3.24Å; L426-N430 WeakPolarHBondContact O-CB 3.16Å; L426-N430 VanDerWaalsContact O-CG 3.29Å; L426-N430 PolarHBondContact O-N 3.09Å; L426-N430 PolarHBondContact O-ND2 2.78Å; L426-N430 VanDerWaalsContact O-ND2 3.08Å; L426-M451 HydrophobicContact CD1-SD 4.2Å; L426-M451 HydrophobicContact CD2-CE 3.78Å; L426-M451 HydrophobicContact CD2-SD 3.76Å; L426-M451 HydrophobicContact CG-CE 3.94Å; L426-M451 HydrophobicContact CG-SD 3.59Å; L426-M451 VanDerWaalsContact CG-SD 3.59Å; L426-I455 HydrophobicContact CD2-CG1 3.98Å
427	E	98.8	Very high	98.6	Very high	145 Å²	145	43.8 Å²	43.8	68%	0.678	22%	0.217	S	C	*	.	H	α-helix	trans	-59.5	-55.2	175.7	-175.7	175.6	177.4	0	0	110.4	E423 E424 A429 N430 D431	E423-E427 PolarHBondContact O-N 3.38Å; E424-E427 PolarHBondContact O-N 3.43Å; E427-A429 PolarHBondContact O-N 3.49Å; E427-N430 CarbonylContact O-C 3.46Å; E427-N430 PolarHBondContact O-N 3Å; E427-D431 WeakPolarHBondContact O-CB 3.35Å; E427-D431 PolarHBondContact O-N 2.88Å
428	L	98.8	Very high	98.6	Very high	30 Å²	30	43.5 Å²	43.5	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-42.9	179.3	-68.9	176.5	0	0	0	112.9	R312 L314 N400 T417 F419 E424 N430 D431	R312-L428 PolarHBondContact NH1-O 3Å; L314-L428 HydrophobicContact CD1-CB 3.76Å; L314-L428 HydrophobicContact CD2-CB 4.44Å; N400-L428 HydrophobicContact CB-CD2 3.78Å; T417-L428 HydrophobicContact CG2-CD1 4.49Å; F419-L428 HydrophobicContact CB-CD1 4.06Å; E424-L428 HydrophobicContact CG-CD1 4.13Å; E424-L428 HydrophobicContact CG-CG 4.45Å; E424-L428 WeakPolarHBondContact O-CB 3.37Å; E424-L428 WeakPolarHBondContact O-CG 3.39Å; E424-L428 PolarHBondContact O-N 3.13Å; L428-N430 VanDerWaalsContact C-N 3.28Å; L428-N430 PolarHBondContact O-N 3.05Å; L428-D431 PolarHBondContact O-N 3.15Å
429	A	98.8	Very high	98.6	Very high	2 Å²	2	42 Å²	42	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-40.4	178.8	0	0	0	0	0	111.6	P274 I276 R312 L314 A425 E427 I455	P274-A429 HydrophobicContact CB-CB 3.91Å; P274-A429 HydrophobicContact CG-CB 3.83Å; I276-A429 HydrophobicContact CD1-CB 3.79Å; R312-A429 PolarHBondContact NH2-O 2.75Å; L314-A429 HydrophobicContact CD1-CB 4.17Å; A425-A429 WeakPolarHBondContact O-CB 3.4Å; A425-A429 PolarHBondContact O-N 3.24Å; E427-A429 PolarHBondContact O-N 3.49Å; A429-I455 HydrophobicContact CB-CG1 4.29Å
430	N	98.8	Very high	98.6	Very high	32 Å²	32	42 Å²	42	17%	0.171	21%	0.207	C	C	.	.	H	α-helix	trans	-87.8	-15	-177	-69.5	-35.3	0	0	0	114.1	L426 E427 L428 T432 G454 Q456 K478	L426-N430 VanDerWaalsContact O-CB 3.24Å; L426-N430 WeakPolarHBondContact O-CB 3.16Å; L426-N430 VanDerWaalsContact O-CG 3.29Å; L426-N430 PolarHBondContact O-N 3.09Å; L426-N430 PolarHBondContact O-ND2 2.78Å; L426-N430 VanDerWaalsContact O-ND2 3.08Å; E427-N430 CarbonylContact O-C 3.46Å; E427-N430 PolarHBondContact O-N 3Å; L428-N430 VanDerWaalsContact C-N 3.28Å; L428-N430 PolarHBondContact O-N 3.05Å; N430-T432 PolarHBondContact O-N 2.88Å; N430-G454 PolarHBondContact ND2-O 2.83Å; N430-Q456 WeakPolarHBondContact OD1-CB 3.3Å; N430-Q456 PolarHBondContact OD1-N 3.15Å; N430-K478 PolarHBondContact O-NZ 2.87Å
431	D	98.5	Very high	98.6	Very high	86 Å²	86	36.6 Å²	36.6	46%	0.46	18%	0.183	S	C	.	.	S	Bend	trans	-75.2	71.1	175	-177.1	36	0	0	0	111.4	N400 Q406 E427 L428	N400-D431 PolarHBondContact ND2-O 3.15Å; N400-D431 PolarHBondContact ND2-OD2 3.36Å; Q406-D431 PolarHBondContact NE2-O 2.69Å; E427-D431 WeakPolarHBondContact O-CB 3.35Å; E427-D431 PolarHBondContact O-N 2.88Å; L428-D431 PolarHBondContact O-N 3.15Å
432	T	98	Very high	98.6	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.086	16%	0.164	C	C	.	.	S	Bend	trans	-164.3	152.5	174.6	179.5	0	0	0	0	109.1	N430 Y434 K478	N430-T432 PolarHBondContact O-N 2.88Å; T432-Y434 VanDerWaalsContact CG2-O 3.3Å; T432-Y434 WeakPolarHBondContact CG2-O 3.42Å; T432-Y434 PolarHBondContact O-N 3.18Å; T432-Y434 PolarHBondContact OG1-N 3.14Å; T432-K478 PolarHBondContact O-NZ 3.28Å
433	Q	97.5	Very high	98.6	Very high	100 Å²	100	35.1 Å²	35.1	47%	0.467	17%	0.168	S	C	.	.	S	Bend	trans	-71.1	-18.1	171.8	66.4	178.7	1.4	0	0	113.5	K478 Q479	Q433-K478 WeakPolarHBondContact O-CB 3.26Å; Q433-Q479 HydrophobicContact CB-CG 4.31Å; Q433-Q479 PolarHBondContact O-N 3.21Å
434	Y	98.5	Very high	98.6	Very high	26 Å²	26	33.2 Å²	33.2	10%	0.102	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	153.7	-176.5	-61	-71.6	0	0	0	112.2	G270 K272 Q406 T432 S480	G270-Y434 VanDerWaalsContact O-CD1 3.31Å; G270-Y434 WeakPolarHBondContact O-CD1 3.16Å; K272-Y434 HydrophobicContact CB-CD2 3.48Å; K272-Y434 VanDerWaalsContact CB-CD2 3.48Å; K272-Y434 HydrophobicContact CB-CE2 4.12Å; K272-Y434 HydrophobicContact CB-CG 4.15Å; Q406-Y434 WeakPolarHBondContact O-CE2 3.27Å; T432-Y434 VanDerWaalsContact CG2-O 3.3Å; T432-Y434 WeakPolarHBondContact CG2-O 3.42Å; T432-Y434 PolarHBondContact O-N 3.18Å; T432-Y434 PolarHBondContact OG1-N 3.14Å; Y434-S480 WeakPolarHBondContact CA-OG 3.25Å
435	G	98.1	Very high	98.5	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	37.4	-179	0	0	0	0	0	112.7	Q456 A457 G458 Y477 S480	G435-Q456 WeakPolarHBondContact CA-O 3.44Å; G435-A457 CarbonylContact O-C 3.43Å; G435-A457 VanDerWaalsContact O-CA 3.28Å; G435-A457 WeakPolarHBondContact O-CA 3.27Å; G435-G458 PolarHBondContact O-N 2.78Å; G435-Y477 PolarHBondContact O-N 2.82Å; G435-S480 PolarHBondContact N-OG 2.93Å
436	L	98.5	Very high	98.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-80.5	-64.2	-178.9	-166.9	60.6	0	0	0	112.1	L269 C307 T308 G458 R459 F474 S480	L269-L436 WeakPolarHBondContact O-CD2 3.35Å; C307-L436 HydrophobicContact CB-CD2 3.57Å; T308-L436 HydrophobicContact CG2-CB 4.17Å; T308-L436 HydrophobicContact CG2-CD2 3.48Å; T308-L436 VanDerWaalsContact CG2-CD2 3.48Å; T308-L436 HydrophobicContact CG2-CG 3.48Å; T308-L436 VanDerWaalsContact CG2-CG 3.48Å; L436-G458 PolarHBondContact O-N 2.91Å; L436-R459 PolarHBondContact O-N 3.33Å; L436-F474 HydrophobicContact CD1-CE1 4.07Å; L436-F474 HydrophobicContact CD1-CZ 4.18Å; L436-F474 HydrophobicContact CD2-CE1 4.47Å; L436-F474 HydrophobicContact CD2-CZ 4.11Å; L436-F474 HydrophobicContact CG-CZ 4.15Å; L436-S480 PolarHBondContact N-OG 3.17Å
437	G	98.3	Very high	98.5	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.5	-175.3	0	0	0	0	0	112.6	S273 R459	S273-G437 WeakPolarHBondContact CA-O 3.09Å; S273-G437 WeakPolarHBondContact CB-O 3.32Å; S273-G437 PolarHBondContact OG-O 3.09Å; G437-R459 CarbonylContact C-O 3.3Å; G437-R459 VanDerWaalsContact CA-O 3.25Å; G437-R459 WeakPolarHBondContact CA-O 3.42Å
438	A	98.8	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	157.7	167.3	0	0	0	0	0	112.1	P274 I455 A457 R459 V460 W461	P274-A438 HydrophobicContact CG-CB 3.92Å; P274-A438 CarbonylContact O-C 3.59Å; P274-A438 VanDerWaalsContact O-CA 3.27Å; P274-A438 WeakPolarHBondContact O-CA 3.24Å; A438-I455 HydrophobicContact CB-CD1 4.22Å; A438-I455 HydrophobicContact CB-CG2 3.56Å; A438-A457 HydrophobicContact CB-CB 3.99Å; A438-R459 PolarHBondContact N-O 3.04Å; A438-V460 HydrophobicContact CB-CG1 4.27Å; A438-V460 HydrophobicContact CB-CG2 4.28Å; A438-V460 CarbonylContact O-C 3.54Å; A438-V460 WeakPolarHBondContact O-CA 3.32Å; A438-W461 PolarHBondContact O-N 3.08Å
439	G	98.8	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.3	178.5	0	0	0	0	0	112	P274 I276 W461 Y465	P274-G439 PolarHBondContact O-N 3.08Å; I276-G439 PolarHBondContact N-O 2.84Å; G439-W461 CarbonylContact C-O 3.56Å; G439-W461 VanDerWaalsContact CA-O 3.3Å; G439-W461 WeakPolarHBondContact CA-O 3.46Å; G439-Y465 VanDerWaalsContact CA-CE2 3.44Å
440	V	98.9	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.7	175.4	-179.1	0	0	0	0	109.4	F278 A448 M451 I455 V460 W461 T462 N463	F278-V440 HydrophobicContact CE2-CG1 4.38Å; V440-A448 HydrophobicContact CG1-CB 4.42Å; V440-M451 HydrophobicContact CG1-CB 3.81Å; V440-M451 HydrophobicContact CG1-CG 4.43Å; V440-M451 HydrophobicContact CG2-CB 3.94Å; V440-I455 HydrophobicContact CG2-CD1 3.47Å; V440-I455 VanDerWaalsContact CG2-CD1 3.47Å; V440-V460 HydrophobicContact CG2-CG1 4.02Å; V440-W461 PolarHBondContact N-O 3.36Å; V440-T462 HydrophobicContact CB-CG2 4.47Å; V440-T462 CarbonylContact O-C 3.56Å; V440-T462 WeakPolarHBondContact O-CA 3.31Å; V440-N463 PolarHBondContact O-N 3.35Å
441	W	98.9	Very high	98.5	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.2	178.5	-58.5	86.2	0	0	0	109.7	N275 I276 F277 F278 V281 K291 A292 N463	N275-W441 VanDerWaalsContact OD1-CD1 3.26Å; N275-W441 PolarHBondContact OD1-NE1 3.06Å; I276-W441 PolarHBondContact O-N 2.89Å; F277-W441 HydrophobicContact CD1-CB 3.72Å; F277-W441 AromaticContact CD1-CD1 3.59Å; F277-W441 HydrophobicContact CD1-CD2 4.47Å; F277-W441 AromaticContact CD1-CG 3.65Å; F277-W441 HydrophobicContact CD1-CG 3.65Å; F277-W441 HydrophobicContact CE1-CB 4.12Å; F277-W441 AromaticContact CE1-CD1 3.22Å; F277-W441 AromaticContact CE1-CD2 3.99Å; F277-W441 HydrophobicContact CE1-CD2 3.99Å; F277-W441 AromaticContact CE1-CG 3.51Å; F277-W441 HydrophobicContact CE1-CG 3.51Å; F277-W441 AromaticContact CE1-NE1 3.56Å; F277-W441 HydrophobicContact CG-CB 4.46Å; F277-W441 AromaticContact CZ-CD1 3.6Å; F277-W441 HydrophobicContact CZ-CG 4.32Å; F277-W441 AromaticContact CZ-NE1 3.68Å; F278-W441 PolarHBondContact N-O 3.21Å; F278-W441 VanDerWaalsContact N-O 3.09Å; V281-W441 HydrophobicContact CG1-CB 3.82Å; V281-W441 WeakPolarHBondContact CG1-O 3.36Å; K291-W441 HydrophobicContact CD-CZ3 4.31Å; K291-W441 HydrophobicContact CG-CH2 4.43Å; K291-W441 HydrophobicContact CG-CZ3 4.03Å; K291-W441 WeakPolarHBondContact O-CZ3 3.4Å; A292-W441 HydrophobicContact CB-CD2 4.34Å; A292-W441 HydrophobicContact CB-CE3 3.85Å; A292-W441 HydrophobicContact CB-CZ3 4.41Å; W441-N463 WeakPolarHBondContact CA-OD1 3.46Å
442	S	98.8	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.			trans	-161.4	144.6	177.8	171.4	0	0	0	0	109.6	D280 N444 N463	D280-S442 WeakPolarHBondContact OD1-CA 3.04Å; D280-S442 PolarHBondContact OD1-OG 2.84Å; D280-S442 PolarHBondContact OD2-OG 2.95Å; S442-N444 VanDerWaalsContact C-N 3.34Å; S442-N444 PolarHBondContact OG-N 3.43Å; S442-N444 VanDerWaalsContact OG-N 3.09Å; S442-N444 PolarHBondContact OG-O 2.86Å; S442-N463 PolarHBondContact N-OD1 2.62Å; S442-N463 PolarHBondContact O-ND2 2.89Å; S442-N463 PolarHBondContact O-OD1 3.33Å; S442-N463 VanDerWaalsContact O-OD1 3.08Å
443	R	98.5	Very high	98.5	Very high	76 Å²	76	47 Å²	47	29%	0.287	23%	0.229	S	C	.	.	S	Bend	trans	-77	-26.5	171.2	-61.8	-176.2	-174.2	-94.8	-3.4	111.3	D280 V281 E284 D286 F288 G445	D280-R443 HydrophobicContact CB-CB 4.49Å; D280-R443 WeakPolarHBondContact O-CD 3.37Å; D280-R443 WeakPolarHBondContact O-CG 3.39Å; D280-R443 PolarHBondContact O-NE 3.41Å; D280-R443 WeakPolarHBondContact OD2-CA 3.4Å; D280-R443 PolarHBondContact OD2-N 3.39Å; V281-R443 PolarHBondContact O-NH2 2.91Å; E284-R443 PolarHBondContact O-NH2 3.35Å; D286-R443 IonicContact OD1-CZ 3.12Å; D286-R443 IonicContact OD1-NH1 3.59Å; D286-R443 PolarHBondContact OD1-NH1 3.44Å; D286-R443 IonicContact OD1-NH2 2.7Å; D286-R443 PolarHBondContact OD1-NH2 2.99Å; D286-R443 IonicContact OD2-CZ 2.62Å; D286-R443 IonicContact OD2-NH1 2.7Å; D286-R443 PolarHBondContact OD2-NH1 2.9Å; D286-R443 IonicContact OD2-NH2 3.5Å; D286-R443 PolarHBondContact OD2-NH2 2.96Å; F288-R443 HydrophobicContact CD1-CG 3.73Å; F288-R443 VanDerWaalsContact CD1-CZ 3.43Å; F288-R443 HydrophobicContact CE1-CG 3.49Å; F288-R443 VanDerWaalsContact CE1-CG 3.49Å; F288-R443 HydrophobicContact CZ-CG 4.3Å; R443-G445 PolarHBondContact O-N 2.94Å
444	N	98.5	Very high	98.5	Very high	78 Å²	78	43.6 Å²	43.6	42%	0.417	22%	0.221	S	C	.	.			trans	-80.1	105.1	179.7	-173.3	-43.2	0	0	0	111.5	D280 S442 N446 L447 A448	D280-N444 WeakPolarHBondContact OD2-CB 3.25Å; D280-N444 PolarHBondContact OD2-N 2.85Å; S442-N444 VanDerWaalsContact C-N 3.34Å; S442-N444 PolarHBondContact OG-N 3.43Å; S442-N444 VanDerWaalsContact OG-N 3.09Å; S442-N444 PolarHBondContact OG-O 2.86Å; N444-N446 VanDerWaalsContact C-N 3.26Å; N444-N446 PolarHBondContact O-N 3.28Å; N444-N446 WeakPolarHBondContact OD1-CB 3.44Å; N444-N446 PolarHBondContact OD1-N 2.9Å; N444-L447 HydrophobicContact CB-CB 3.88Å; N444-L447 WeakPolarHBondContact O-CB 3.4Å; N444-L447 PolarHBondContact O-N 3.48Å; N444-L447 VanDerWaalsContact O-N 3.13Å; N444-L447 PolarHBondContact OD1-N 2.99Å; N444-A448 WeakPolarHBondContact O-CB 3.46Å; N444-A448 PolarHBondContact O-N 2.85Å
445	G	97.9	Very high	98.6	Very high	53 Å²	53	42.8 Å²	42.8	55%	0.546	22%	0.218	S	C	.	.	H	α-helix	trans	-58.2	-32.3	-179.9	0	0	0	0	0	114.7	R443 Y449	R443-G445 PolarHBondContact O-N 2.94Å; G445-Y449 WeakPolarHBondContact O-CB 3.43Å; G445-Y449 PolarHBondContact O-N 3.01Å
446	N	98.5	Very high	98.6	Very high	121 Å²	121	47.3 Å²	47.3	65%	0.647	24%	0.238	S	C	*	.	H	α-helix	trans	-70.5	-41.8	177.1	-70	-34	0	0	0	111.5	N444 K450	N444-N446 VanDerWaalsContact C-N 3.26Å; N444-N446 PolarHBondContact O-N 3.28Å; N444-N446 WeakPolarHBondContact OD1-CB 3.44Å; N444-N446 PolarHBondContact OD1-N 2.9Å; N446-K450 WeakPolarHBondContact O-CB 3.08Å; N446-K450 VanDerWaalsContact O-CG 3.23Å; N446-K450 WeakPolarHBondContact O-CG 3.48Å; N446-K450 PolarHBondContact O-N 2.92Å
447	L	98.6	Very high	98.6	Very high	34 Å²	34	47.5 Å²	47.5	18%	0.178	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-49.8	175	178	55.6	0	0	0	110.3	F278 M422 N444 Y449 K450 M451	F278-L447 HydrophobicContact CB-CD2 4.11Å; F278-L447 HydrophobicContact CD1-CD1 4.35Å; F278-L447 HydrophobicContact CD1-CD2 3.62Å; F278-L447 HydrophobicContact CD1-CG 4.29Å; F278-L447 HydrophobicContact CD2-CD2 4.16Å; F278-L447 HydrophobicContact CD2-CG 4.33Å; F278-L447 HydrophobicContact CE1-CD1 3.9Å; F278-L447 HydrophobicContact CE1-CD2 4.04Å; F278-L447 HydrophobicContact CE1-CG 4.28Å; F278-L447 HydrophobicContact CE2-CD1 4.44Å; F278-L447 HydrophobicContact CE2-CG 4.35Å; F278-L447 HydrophobicContact CG-CD2 3.67Å; F278-L447 HydrophobicContact CG-CG 4.3Å; F278-L447 HydrophobicContact CZ-CD1 3.96Å; F278-L447 HydrophobicContact CZ-CG 4.32Å; M422-L447 HydrophobicContact CB-CD1 4.15Å; M422-L447 HydrophobicContact CG-CD1 3.67Å; M422-L447 HydrophobicContact SD-CD1 3.57Å; M422-L447 VanDerWaalsContact SD-CD1 3.57Å; N444-L447 HydrophobicContact CB-CB 3.88Å; N444-L447 WeakPolarHBondContact O-CB 3.4Å; N444-L447 PolarHBondContact O-N 3.48Å; N444-L447 VanDerWaalsContact O-N 3.13Å; N444-L447 PolarHBondContact OD1-N 2.99Å; L447-Y449 VanDerWaalsContact C-N 3.33Å; L447-Y449 PolarHBondContact O-N 2.81Å; L447-K450 PolarHBondContact O-N 3.19Å; L447-M451 HydrophobicContact CD1-CG 4.18Å; L447-M451 WeakPolarHBondContact O-CB 3.22Å; L447-M451 WeakPolarHBondContact O-CG 3.45Å; L447-M451 PolarHBondContact O-N 3Å
448	A	98.5	Very high	98.5	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.033	25%	0.25	C	C	.	.	H	α-helix	trans	-58.1	-44.2	179	0	0	0	0	0	112.2	V440 N444 G452 T462	V440-A448 HydrophobicContact CG1-CB 4.42Å; N444-A448 WeakPolarHBondContact O-CB 3.46Å; N444-A448 PolarHBondContact O-N 2.85Å; A448-G452 PolarHBondContact O-N 2.75Å; A448-T462 HydrophobicContact CB-CG2 3.67Å
449	Y	98.5	Very high	98.5	Very high	157 Å²	157	49.3 Å²	49.3	62%	0.616	25%	0.253	S	S	*	.	H	α-helix	trans	-65.2	-45.8	176.1	177.3	-100	0	0	0	112.7	G445 L447 M451 G452 R453	G445-Y449 WeakPolarHBondContact O-CB 3.43Å; G445-Y449 PolarHBondContact O-N 3.01Å; L447-Y449 VanDerWaalsContact C-N 3.33Å; L447-Y449 PolarHBondContact O-N 2.81Å; Y449-M451 VanDerWaalsContact C-N 3.33Å; Y449-M451 PolarHBondContact O-N 2.88Å; Y449-G452 PolarHBondContact O-N 2.83Å; Y449-R453 HydrophobicContact CD1-CG 4.33Å; Y449-R453 HydrophobicContact CD2-CG 4.3Å; Y449-R453 HydrophobicContact CE1-CG 3.88Å; Y449-R453 HydrophobicContact CE2-CG 3.85Å; Y449-R453 WeakPolarHBondContact O-CB 3.27Å; Y449-R453 WeakPolarHBondContact O-CG 3.45Å; Y449-R453 PolarHBondContact O-N 3.16Å
450	K	98.7	Very high	98.5	Very high	125 Å²	125	51.2 Å²	51.2	54%	0.543	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-44.1	178	-76.7	174.6	-178.8	-177.1	0	111.4	M422 N446 L447 R453 G454	M422-K450 HydrophobicContact SD-CB 4.06Å; M422-K450 HydrophobicContact SD-CD 4.31Å; N446-K450 WeakPolarHBondContact O-CB 3.08Å; N446-K450 VanDerWaalsContact O-CG 3.23Å; N446-K450 WeakPolarHBondContact O-CG 3.48Å; N446-K450 PolarHBondContact O-N 2.92Å; L447-K450 PolarHBondContact O-N 3.19Å; K450-R453 PolarHBondContact O-N 2.93Å; K450-G454 PolarHBondContact O-N 3.07Å
451	M	98.7	Very high	98.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-49.5	174.3	-72.7	-61.1	-61.5	0	0	111.6	I276 F278 M422 A425 L426 V440 L447 Y449 R453 G454 I455	I276-M451 HydrophobicContact CD1-CE 3.29Å; I276-M451 HydrophobicContact CG2-CE 4.3Å; F278-M451 HydrophobicContact CE2-CE 4.15Å; F278-M451 HydrophobicContact CE2-CG 3.6Å; F278-M451 HydrophobicContact CE2-SD 4.18Å; F278-M451 HydrophobicContact CZ-CE 3.93Å; F278-M451 HydrophobicContact CZ-CG 3.58Å; F278-M451 HydrophobicContact CZ-SD 3.67Å; M422-M451 HydrophobicContact CG-CG 4.02Å; M422-M451 HydrophobicContact CG-SD 3.32Å; M422-M451 WeakPolarHBondContact CG-SD 3.48Å; M422-M451 HydrophobicContact SD-SD 4.3Å; A425-M451 HydrophobicContact CB-CE 3.87Å; L426-M451 HydrophobicContact CD1-SD 4.2Å; L426-M451 HydrophobicContact CD2-CE 3.78Å; L426-M451 HydrophobicContact CD2-SD 3.76Å; L426-M451 HydrophobicContact CG-CE 3.94Å; L426-M451 HydrophobicContact CG-SD 3.59Å; L426-M451 VanDerWaalsContact CG-SD 3.59Å; V440-M451 HydrophobicContact CG1-CB 3.81Å; V440-M451 HydrophobicContact CG1-CG 4.43Å; V440-M451 HydrophobicContact CG2-CB 3.94Å; L447-M451 HydrophobicContact CD1-CG 4.18Å; L447-M451 WeakPolarHBondContact O-CB 3.22Å; L447-M451 WeakPolarHBondContact O-CG 3.45Å; L447-M451 PolarHBondContact O-N 3Å; Y449-M451 VanDerWaalsContact C-N 3.33Å; Y449-M451 PolarHBondContact O-N 2.88Å; M451-R453 PolarHBondContact O-N 2.77Å; M451-G454 PolarHBondContact O-N 3.02Å; M451-I455 HydrophobicContact CE-CD1 4.28Å; M451-I455 HydrophobicContact CE-CG1 4.41Å; M451-I455 VanDerWaalsContact O-CG1 3.28Å; M451-I455 WeakPolarHBondContact O-CG1 3.48Å; M451-I455 PolarHBondContact O-N 2.88Å
452	G	98.4	Very high	98.4	Very high	21 Å²	21	54.3 Å²	54.3	22%	0.216	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-33.6	179	0	0	0	0	0	113.6	A448 Y449	A448-G452 PolarHBondContact O-N 2.75Å; Y449-G452 PolarHBondContact O-N 2.83Å
453	R	98.3	Very high	98.4	Very high	182 Å²	182	56.2 Å²	56.2	69%	0.687	29%	0.293	S	S	*	.	H	α-helix	trans	-78.4	-31.4	174.3	-72.2	-68.7	-61.9	151.7	1.1	113.8	Y449 K450 M451	Y449-R453 HydrophobicContact CD1-CG 4.33Å; Y449-R453 HydrophobicContact CD2-CG 4.3Å; Y449-R453 HydrophobicContact CE1-CG 3.88Å; Y449-R453 HydrophobicContact CE2-CG 3.85Å; Y449-R453 WeakPolarHBondContact O-CB 3.27Å; Y449-R453 WeakPolarHBondContact O-CG 3.45Å; Y449-R453 PolarHBondContact O-N 3.16Å; K450-R453 PolarHBondContact O-N 2.93Å; M451-R453 PolarHBondContact O-N 2.77Å
454	G	98.6	Very high	98.4	Very high	28 Å²	28	54.7 Å²	54.7	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-83.6	-26.1	-176.3	0	0	0	0	0	114.1	N430 K450 M451	N430-G454 PolarHBondContact ND2-O 2.83Å; K450-G454 PolarHBondContact O-N 3.07Å; M451-G454 PolarHBondContact O-N 3.02Å
455	I	98.8	Very high	98.4	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.041	28%	0.277	C	S	.	.	S	Bend	trans	-73.2	129.7	177.9	-62	161.1	0	0	0	109.9	I276 L426 A429 A438 V440 M451 A457 V460	I276-I455 HydrophobicContact CD1-CD1 3.68Å; I276-I455 HydrophobicContact CD1-CG1 4.31Å; L426-I455 HydrophobicContact CD2-CG1 3.98Å; A429-I455 HydrophobicContact CB-CG1 4.29Å; A438-I455 HydrophobicContact CB-CD1 4.22Å; A438-I455 HydrophobicContact CB-CG2 3.56Å; V440-I455 HydrophobicContact CG2-CD1 3.47Å; V440-I455 VanDerWaalsContact CG2-CD1 3.47Å; M451-I455 HydrophobicContact CE-CD1 4.28Å; M451-I455 HydrophobicContact CE-CG1 4.41Å; M451-I455 VanDerWaalsContact O-CG1 3.28Å; M451-I455 WeakPolarHBondContact O-CG1 3.48Å; M451-I455 PolarHBondContact O-N 2.88Å; I455-A457 VanDerWaalsContact C-N 3.27Å; I455-A457 HydrophobicContact CG2-CB 4.05Å; I455-A457 PolarHBondContact O-N 3.25Å; I455-V460 HydrophobicContact CB-CG2 4.44Å; I455-V460 HydrophobicContact CD1-CG1 4.42Å
456	Q	98.6	Very high	98.3	Very high	98 Å²	98	50.3 Å²	50.3	46%	0.458	26%	0.256	S	S	.	.			trans	-86.6	63.2	-179.4	-61.6	177.4	-5.6	0	0	110.8	N430 G435	N430-Q456 WeakPolarHBondContact OD1-CB 3.3Å; N430-Q456 PolarHBondContact OD1-N 3.15Å; G435-Q456 WeakPolarHBondContact CA-O 3.44Å
457	A	98.4	Very high	98.1	Very high	7 Å²	7	46.8 Å²	46.8	6%	0.058	24%	0.243	C	C	.	.			trans	-128.5	148.2	174.5	0	0	0	0	0	111.1	G435 A438 I455 V460	G435-A457 CarbonylContact O-C 3.43Å; G435-A457 VanDerWaalsContact O-CA 3.28Å; G435-A457 WeakPolarHBondContact O-CA 3.27Å; A438-A457 HydrophobicContact CB-CB 3.99Å; I455-A457 VanDerWaalsContact C-N 3.27Å; I455-A457 HydrophobicContact CG2-CB 4.05Å; I455-A457 PolarHBondContact O-N 3.25Å; A457-V460 HydrophobicContact CB-CG2 4.31Å
458	G	97.2	Very high	98	Very high	21 Å²	21	45.9 Å²	45.9	22%	0.216	24%	0.237	C	C	.	.	S	Bend	trans	-78.5	-19.4	-178	0	0	0	0	0	114.5	G435 L436 G475 Y477	G435-G458 PolarHBondContact O-N 2.78Å; L436-G458 PolarHBondContact O-N 2.91Å; G458-G475 CarbonylContact C-O 3.53Å; G458-G475 WeakPolarHBondContact CA-O 3.22Å; G458-Y477 VanDerWaalsContact CA-CE1 3.49Å
459	R	97.8	Very high	97.8	Very high	20 Å²	20	48.5 Å²	48.5	8%	0.075	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.1	162.9	-174.5	170.7	-76.9	-169	0.6	111	L436 G437 A438 W461 A467 A472 A473 T486	L436-R459 PolarHBondContact O-N 3.33Å; G437-R459 CarbonylContact C-O 3.3Å; G437-R459 VanDerWaalsContact CA-O 3.25Å; G437-R459 WeakPolarHBondContact CA-O 3.42Å; A438-R459 PolarHBondContact N-O 3.04Å; R459-W461 HydrophobicContact CB-CH2 4.33Å; R459-W461 HydrophobicContact CB-CZ3 4.38Å; R459-W461 VanDerWaalsContact CD-CE2 3.47Å; R459-W461 HydrophobicContact CG-CD2 4.11Å; R459-W461 HydrophobicContact CG-CE3 4.2Å; R459-W461 HydrophobicContact CG-CH2 3.97Å; R459-W461 HydrophobicContact CG-CZ2 3.87Å; R459-W461 HydrophobicContact CG-CZ3 4.12Å; R459-A467 PolarHBondContact NH1-O 2.94Å; R459-A467 VanDerWaalsContact NH1-O 3.16Å; R459-A472 PolarHBondContact NH2-O 3.38Å; R459-A473 PolarHBondContact NE-O 2.98Å; R459-A473 VanDerWaalsContact NE-O 3.1Å; R459-A473 PolarHBondContact NH2-O 3.28Å; R459-T486 PolarHBondContact NH2-OG1 3.49Å
460	V	98.6	Very high	97.8	Very high	40 Å²	40	41.6 Å²	41.6	24%	0.242	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.9	172.4	-172.4	0	0	0	0	108.9	A438 V440 I455 A457	A438-V460 HydrophobicContact CB-CG1 4.27Å; A438-V460 HydrophobicContact CB-CG2 4.28Å; A438-V460 CarbonylContact O-C 3.54Å; A438-V460 WeakPolarHBondContact O-CA 3.32Å; V440-V460 HydrophobicContact CG2-CG1 4.02Å; I455-V460 HydrophobicContact CB-CG2 4.44Å; I455-V460 HydrophobicContact CD1-CG1 4.42Å; A457-V460 HydrophobicContact CB-CG2 4.31Å
461	W	98.7	Very high	97.7	Very high	13 Å²	13	41.2 Å²	41.2	5%	0.049	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.3	170.1	-64.4	-93.1	0	0	0	109.4	T308 A438 G439 V440 R459 C464 Y465 A467 Y468 F474	T308-W461 HydrophobicContact CG2-CH2 3.87Å; T308-W461 HydrophobicContact CG2-CZ3 4.2Å; A438-W461 PolarHBondContact O-N 3.08Å; G439-W461 CarbonylContact C-O 3.56Å; G439-W461 VanDerWaalsContact CA-O 3.3Å; G439-W461 WeakPolarHBondContact CA-O 3.46Å; V440-W461 PolarHBondContact N-O 3.36Å; R459-W461 HydrophobicContact CB-CH2 4.33Å; R459-W461 HydrophobicContact CB-CZ3 4.38Å; R459-W461 VanDerWaalsContact CD-CE2 3.47Å; R459-W461 HydrophobicContact CG-CD2 4.11Å; R459-W461 HydrophobicContact CG-CE3 4.2Å; R459-W461 HydrophobicContact CG-CH2 3.97Å; R459-W461 HydrophobicContact CG-CZ2 3.87Å; R459-W461 HydrophobicContact CG-CZ3 4.12Å; W461-C464 WeakPolarHBondContact CB-O 3.32Å; W461-Y465 HydrophobicContact CB-CD2 4.19Å; W461-Y465 HydrophobicContact CE3-CD2 4.41Å; W461-Y465 HydrophobicContact CE3-CE1 4.15Å; W461-Y465 HydrophobicContact CE3-CE2 4.11Å; W461-Y465 AromaticContact CE3-CZ 3.95Å; W461-Y465 HydrophobicContact CZ3-CE1 4.2Å; W461-A467 PolarHBondContact NE1-O 2.99Å; W461-Y468 HydrophobicContact CH2-CE1 4.06Å; W461-Y468 HydrophobicContact CZ2-CD1 4.14Å; W461-Y468 AromaticContact CZ2-CE1 3.74Å; W461-Y468 HydrophobicContact CZ2-CE1 3.74Å; W461-F474 HydrophobicContact CH2-CE2 4.26Å
462	T	98.6	Very high	97.7	Very high	54 Å²	54	42.8 Å²	42.8	33%	0.331	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.4	178.5	-58	0	0	0	0	108.7	V440 A448 C464	V440-T462 HydrophobicContact CB-CG2 4.47Å; V440-T462 CarbonylContact O-C 3.56Å; V440-T462 WeakPolarHBondContact O-CA 3.31Å; A448-T462 HydrophobicContact CB-CG2 3.67Å; T462-C464 PolarHBondContact O-N 2.94Å; T462-C464 VanDerWaalsContact O-N 3.12Å; T462-C464 PolarHBondContact O-SG 3.47Å
463	N	98.3	Very high	97.6	Very high	41 Å²	41	43.6 Å²	43.6	22%	0.219	25%	0.247	C	C	.	.	S	Bend	trans	54.8	27.7	-176.6	-64.3	-22.3	0	0	0	113.6	F288 K291 V440 W441 S442	F288-N463 HydrophobicContact CE2-CB 3.9Å; F288-N463 HydrophobicContact CZ-CB 4.48Å; F288-N463 WeakPolarHBondContact CZ-OD1 3.36Å; K291-N463 VanDerWaalsContact CE-O 3.24Å; K291-N463 WeakPolarHBondContact CE-O 3.08Å; K291-N463 PolarHBondContact NZ-O 2.99Å; V440-N463 PolarHBondContact O-N 3.35Å; W441-N463 WeakPolarHBondContact CA-OD1 3.46Å; S442-N463 PolarHBondContact N-OD1 2.62Å; S442-N463 PolarHBondContact O-ND2 2.89Å; S442-N463 PolarHBondContact O-OD1 3.33Å; S442-N463 VanDerWaalsContact O-OD1 3.08Å
464	C	98.2	Very high	97.6	Very high	44 Å²	44	35.1 Å²	35.1	30%	0.297	22%	0.215	S	C	.	.			trans	-163.1	174.3	175.4	60.4	0	0	0	0	108.7	W461 T462	W461-C464 WeakPolarHBondContact CB-O 3.32Å; T462-C464 PolarHBondContact O-N 2.94Å; T462-C464 VanDerWaalsContact O-N 3.12Å; T462-C464 PolarHBondContact O-SG 3.47Å
465	Y	98.2	Very high	97.5	Very high	16 Å²	16	33.8 Å²	33.8	6%	0.063	20%	0.201	C	C	.	.			trans	-157.6	163.3	170.6	-143.2	-87.4	0	0	0	110.3	S273 T308 P310 G439 W461 A467	S273-Y465 WeakPolarHBondContact CB-OH 3.48Å; T308-Y465 VanDerWaalsContact O-CE1 3.29Å; T308-Y465 WeakPolarHBondContact O-CE1 3.2Å; T308-Y465 PolarHBondContact O-OH 2.7Å; P310-Y465 HydrophobicContact CB-CD1 4.31Å; P310-Y465 HydrophobicContact CB-CD2 4.46Å; P310-Y465 HydrophobicContact CB-CE1 3.79Å; P310-Y465 HydrophobicContact CB-CE2 3.88Å; P310-Y465 HydrophobicContact CG-CD1 4.06Å; P310-Y465 HydrophobicContact CG-CE1 3.84Å; G439-Y465 VanDerWaalsContact CA-CE2 3.44Å; W461-Y465 HydrophobicContact CB-CD2 4.19Å; W461-Y465 HydrophobicContact CE3-CD2 4.41Å; W461-Y465 HydrophobicContact CE3-CE1 4.15Å; W461-Y465 HydrophobicContact CE3-CE2 4.11Å; W461-Y465 AromaticContact CE3-CZ 3.95Å; W461-Y465 HydrophobicContact CZ3-CE1 4.2Å; Y465-A467 PolarHBondContact O-N 3.16Å
466	H	95.1	Very high	97.3	Very high	23 Å²	23	33.5 Å²	33.5	11%	0.106	20%	0.2	C	C	.	.			trans	53.9	24.7	175.7	-69.5	-37.5	0	0	0	116.4	L298 F301 P310 Y468	L298-H466 PolarHBondContact O-NE2 3.03Å; F301-H466 HydrophobicContact CD1-CB 4.41Å; F301-H466 AromaticContact CD1-CD2 3.6Å; F301-H466 AromaticContact CD1-CG 3.9Å; F301-H466 AromaticContact CD1-NE2 3.92Å; F301-H466 AromaticContact CG-CD2 3.92Å; P310-H466 WeakPolarHBondContact CD-NE2 3.23Å; H466-Y468 HydrophobicContact CB-CE2 3.95Å; H466-Y468 AromaticContact ND1-CZ 3.66Å; H466-Y468 PolarHBondContact ND1-OH 3.41Å; H466-Y468 WeakPolarHBondContact O-CD2 3.32Å; H466-Y468 VanDerWaalsContact O-CE2 3.24Å; H466-Y468 WeakPolarHBondContact O-CE2 3.44Å
467	A	95	Very high	97.2	Very high	46 Å²	46	34 Å²	34	38%	0.38	20%	0.199	S	C	.	.			trans	-83.1	120.3	166.4	0	0	0	0	0	110	R459 W461 Y465 P469	R459-A467 PolarHBondContact NH1-O 2.94Å; R459-A467 VanDerWaalsContact NH1-O 3.16Å; W461-A467 PolarHBondContact NE1-O 2.99Å; Y465-A467 PolarHBondContact O-N 3.16Å; A467-P469 WeakPolarHBondContact O-CD 3.34Å
468	Y	95.9	Very high	97.1	Very high	16 Å²	16	37.5 Å²	37.5	6%	0.063	21%	0.213	C	C	.	.			trans	-121.1	47.6	177.9	-48.3	-84.2	0	0	0	114.1	L126 W179 V306 T308 W461 H466 F474	L126-Y468 WeakPolarHBondContact CD2-O 3.27Å; W179-Y468 AromaticContact CH2-CD1 3.99Å; W179-Y468 HydrophobicContact CH2-CD1 3.99Å; W179-Y468 HydrophobicContact CH2-CG 4.45Å; W179-Y468 HydrophobicContact CZ2-CD1 4.31Å; W179-Y468 HydrophobicContact CZ2-CG 4.33Å; V306-Y468 WeakPolarHBondContact CG1-OH 3.17Å; T308-Y468 PolarHBondContact OG1-OH 3.39Å; W461-Y468 HydrophobicContact CH2-CE1 4.06Å; W461-Y468 HydrophobicContact CZ2-CD1 4.14Å; W461-Y468 AromaticContact CZ2-CE1 3.74Å; W461-Y468 HydrophobicContact CZ2-CE1 3.74Å; H466-Y468 HydrophobicContact CB-CE2 3.95Å; H466-Y468 AromaticContact ND1-CZ 3.66Å; H466-Y468 PolarHBondContact ND1-OH 3.41Å; H466-Y468 WeakPolarHBondContact O-CD2 3.32Å; H466-Y468 VanDerWaalsContact O-CE2 3.24Å; H466-Y468 WeakPolarHBondContact O-CE2 3.44Å; Y468-F474 HydrophobicContact CD1-CD2 4.19Å; Y468-F474 HydrophobicContact CD1-CE2 4.05Å; Y468-F474 HydrophobicContact CE1-CD2 4.42Å; Y468-F474 AromaticContact CE1-CE2 3.82Å; Y468-F474 HydrophobicContact CE1-CE2 3.82Å
469	P	96.1	Very high	97.1	Very high	59 Å²	59	41 Å²	41	38%	0.383	22%	0.223	S	C	.	.			trans	-63.6	150.3	-179.7	31.5	-36.6	0	0	0	110.4	A467 A472	A467-P469 WeakPolarHBondContact O-CD 3.34Å; P469-A472 HydrophobicContact CG-CB 4.07Å
470	A	97.4	Very high	97.1	Very high	11 Å²	11	40.1 Å²	40.1	9%	0.091	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	158.8	161.4	0	0	0	0	0	109.7	D129 Y133 A472 T486	D129-A470 VanDerWaalsContact OD2-CB 3.24Å; D129-A470 WeakPolarHBondContact OD2-CB 3.35Å; Y133-A470 HydrophobicContact CD1-CB 3.8Å; Y133-A470 HydrophobicContact CD2-CB 3.92Å; Y133-A470 HydrophobicContact CG-CB 3.46Å; Y133-A470 VanDerWaalsContact CG-CB 3.46Å; A470-A472 VanDerWaalsContact C-N 3.25Å; A470-A472 PolarHBondContact O-N 3.27Å; A470-T486 CarbonylContact C-O 3.47Å; A470-T486 WeakPolarHBondContact CA-O 3.33Å
471	H	97.6	Very high	97	Very high	117 Å²	117	38.6 Å²	38.6	54%	0.542	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	3	-174.1	-154.5	58.7	0	0	0	116.4	Y133 T486 H487	Y133-H471 HydrophobicContact CD2-CB 4.23Å; Y133-H471 HydrophobicContact CE2-CB 3.43Å; Y133-H471 VanDerWaalsContact CE2-CB 3.43Å; Y133-H471 AromaticContact CE2-CG 3.77Å; Y133-H471 AromaticContact CE2-ND1 3.48Å; Y133-H471 WeakPolarHBondContact CE2-ND1 3.36Å; Y133-H471 AromaticContact CZ-ND1 3.52Å; Y133-H471 PolarHBondContact OH-ND1 2.96Å; H471-T486 PolarHBondContact N-O 3.41Å; H471-H487 AromaticContact CE1-NE2 3.96Å; H471-H487 AromaticContact ND1-CD2 3.8Å; H471-H487 PolarHBondContact O-CD2 2.84Å
472	A	97.7	Very high	96.9	Very high	34 Å²	34	42.1 Å²	42.1	28%	0.281	23%	0.231	S	C	.	.	S	Bend	trans	-108.4	129.6	165.6	0	0	0	0	0	108.3	R459 P469 A470 F474 T486	R459-A472 PolarHBondContact NH2-O 3.38Å; P469-A472 HydrophobicContact CG-CB 4.07Å; A470-A472 VanDerWaalsContact C-N 3.25Å; A470-A472 PolarHBondContact O-N 3.27Å; A472-F474 PolarHBondContact O-N 3.33Å; A472-T486 PolarHBondContact O-OG1 3.22Å
473	A	97.1	Very high	96.7	Very high	37 Å²	37	40 Å²	40	31%	0.306	22%	0.22	S	C	.	.			trans	-68.9	135.1	-180	0	0	0	0	0	111.3	R459 H487 M489	R459-A473 PolarHBondContact NE-O 2.98Å; R459-A473 VanDerWaalsContact NE-O 3.1Å; R459-A473 PolarHBondContact NH2-O 3.28Å; A473-H487 HydrophobicContact CB-CB 3.97Å; A473-M489 HydrophobicContact CB-SD 3.71Å
474	F	98.1	Very high	96.5	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.018	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-117.8	139.6	174.6	-173	-93.2	0	0	0	108.5	W179 E268 T308 L436 W461 Y468 A472 R484 E485 T486	W179-F474 HydrophobicContact CE3-CD1 4.46Å; W179-F474 HydrophobicContact CH2-CD1 4.1Å; W179-F474 HydrophobicContact CH2-CD2 4.26Å; W179-F474 HydrophobicContact CH2-CE1 4.31Å; W179-F474 HydrophobicContact CH2-CE2 4.46Å; W179-F474 HydrophobicContact CH2-CG 4.07Å; W179-F474 HydrophobicContact CH2-CZ 4.47Å; W179-F474 HydrophobicContact CZ3-CB 4.46Å; W179-F474 AromaticContact CZ3-CD1 3.52Å; W179-F474 HydrophobicContact CZ3-CD1 3.52Å; W179-F474 HydrophobicContact CZ3-CD2 4.49Å; W179-F474 AromaticContact CZ3-CE1 3.77Å; W179-F474 HydrophobicContact CZ3-CE1 3.77Å; W179-F474 AromaticContact CZ3-CG 3.91Å; W179-F474 HydrophobicContact CZ3-CG 3.91Å; W179-F474 HydrophobicContact CZ3-CZ 4.35Å; E268-F474 WeakPolarHBondContact OE2-CD1 3.37Å; E268-F474 WeakPolarHBondContact OE2-CE1 3.45Å; T308-F474 HydrophobicContact CG2-CE2 3.71Å; T308-F474 HydrophobicContact CG2-CZ 3.62Å; L436-F474 HydrophobicContact CD1-CE1 4.07Å; L436-F474 HydrophobicContact CD1-CZ 4.18Å; L436-F474 HydrophobicContact CD2-CE1 4.47Å; L436-F474 HydrophobicContact CD2-CZ 4.11Å; L436-F474 HydrophobicContact CG-CZ 4.15Å; W461-F474 HydrophobicContact CH2-CE2 4.26Å; Y468-F474 HydrophobicContact CD1-CD2 4.19Å; Y468-F474 HydrophobicContact CD1-CE2 4.05Å; Y468-F474 HydrophobicContact CE1-CD2 4.42Å; Y468-F474 AromaticContact CE1-CE2 3.82Å; Y468-F474 HydrophobicContact CE1-CE2 3.82Å; A472-F474 PolarHBondContact O-N 3.33Å; F474-R484 CarbonylContact O-C 3.54Å; F474-R484 WeakPolarHBondContact O-CA 3.46Å; F474-E485 PolarHBondContact N-O 3.28Å; F474-E485 PolarHBondContact O-N 3.04Å; F474-T486 HydrophobicContact CB-CG2 4.04Å; F474-T486 VanDerWaalsContact CB-OG1 3.25Å; F474-T486 WeakPolarHBondContact CB-OG1 3.37Å; F474-T486 PolarHBondContact N-OG1 3.42Å
475	G	95.9	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.			trans	158.3	162.4	176.6	0	0	0	0	0	112.6	E268 G458	E268-G475 WeakPolarHBondContact OE1-CA 3.43Å; E268-G475 WeakPolarHBondContact OE2-CA 3.2Å; G458-G475 CarbonylContact C-O 3.53Å; G458-G475 WeakPolarHBondContact CA-O 3.22Å
476	G	95.5	Very high	96.4	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	20%	0.204	C	C	.	.			trans	-91.5	161.5	-171.4	0	0	0	0	0	115.8	R484	G476-R484 PolarHBondContact O-NH1 2.67Å
477	Y	96	Very high	96.6	Very high	110 Å²	110	38.8 Å²	38.8	43%	0.431	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	171	159.8	-74.8	16.4	0	0	0	109.2	G435 G458 Q479 S480 R484	G435-Y477 PolarHBondContact O-N 2.82Å; G458-Y477 VanDerWaalsContact CA-CE1 3.49Å; Y477-Q479 PolarHBondContact O-N 3.48Å; Y477-S480 WeakPolarHBondContact O-CB 3.33Å; Y477-S480 PolarHBondContact O-N 3.3Å; Y477-R484 VanDerWaalsContact CE1-NH2 3.35Å
478	K	96.4	Very high	96.7	Very high	80 Å²	80	42.3 Å²	42.3	35%	0.348	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.8	-128	176.9	-54.7	177.1	179	174.5	0	111.1	N430 T432 Q433 S480	N430-K478 PolarHBondContact O-NZ 2.87Å; T432-K478 PolarHBondContact O-NZ 3.28Å; Q433-K478 WeakPolarHBondContact O-CB 3.26Å; K478-S480 VanDerWaalsContact C-N 3.29Å; K478-S480 PolarHBondContact O-N 3.25Å
479	Q	97.2	Very high	96.7	Very high	95 Å²	95	44.9 Å²	44.9	44%	0.444	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	7.6	179.2	-58	-64.7	-3	0	0	113.6	T248 Q433 Y477 G481	T248-Q479 HydrophobicContact CG2-CB 4.04Å; T248-Q479 WeakPolarHBondContact CG2-O 3.27Å; T248-Q479 PolarHBondContact OG1-O 3.3Å; Q433-Q479 HydrophobicContact CB-CG 4.31Å; Q433-Q479 PolarHBondContact O-N 3.21Å; Y477-Q479 PolarHBondContact O-N 3.48Å; Q479-G481 VanDerWaalsContact C-N 3.33Å
480	S	98.2	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.7	179.7	-71	0	0	0	0	114.3	L269 G270 Y434 G435 L436 Y477 K478	L269-S480 PolarHBondContact N-O 3.04Å; G270-S480 WeakPolarHBondContact O-CB 3.19Å; G270-S480 PolarHBondContact O-OG 2.92Å; Y434-S480 WeakPolarHBondContact CA-OG 3.25Å; G435-S480 PolarHBondContact N-OG 2.93Å; L436-S480 PolarHBondContact N-OG 3.17Å; Y477-S480 WeakPolarHBondContact O-CB 3.33Å; Y477-S480 PolarHBondContact O-N 3.3Å; K478-S480 VanDerWaalsContact C-N 3.29Å; K478-S480 PolarHBondContact O-N 3.25Å
481	G	96.6	Very high	96.8	Very high	8 Å²	8	41.8 Å²	41.8	8%	0.082	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.6	-178.8	169.2	0	0	0	0	0	115.8	L267 Q479	L267-G481 CarbonylContact O-C 3.4Å; L267-G481 WeakPolarHBondContact O-CA 3.24Å; Q479-G481 VanDerWaalsContact C-N 3.33Å
482	I	94.9	Very high	96.7	Very high	87 Å²	87	42.5 Å²	42.5	45%	0.446	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.5	-176.7	-58.1	176.2	0	0	0	108.5	M255 T266 L267	M255-I482 HydrophobicContact CE-CD1 4.23Å; M255-I482 HydrophobicContact SD-CD1 4.26Å; T266-I482 CarbonylContact C-O 3.53Å; T266-I482 WeakPolarHBondContact CA-O 3.44Å; L267-I482 PolarHBondContact N-O 3.24Å; L267-I482 PolarHBondContact O-N 3Å
483	G	95.1	Very high	96.7	Very high	10 Å²	10	43.7 Å²	43.7	10%	0.103	21%	0.209	C	C	.	.	S	Bend	trans	99.6	-178.3	-176.1	0	0	0	0	0	112.8
484	R	95.4	Very high	96.8	Very high	65 Å²	65	42 Å²	42	25%	0.245	19%	0.194	C	C	.	.			trans	-140.7	135.4	-179.4	-61.3	-66.2	177.6	-101.7	0.7	112.2	F474 G476 Y477 M489 H493	F474-R484 CarbonylContact O-C 3.54Å; F474-R484 WeakPolarHBondContact O-CA 3.46Å; G476-R484 PolarHBondContact O-NH1 2.67Å; Y477-R484 VanDerWaalsContact CE1-NH2 3.35Å; R484-M489 HydrophobicContact CB-CG 4.09Å; R484-M489 HydrophobicContact CB-SD 3.75Å; R484-M489 HydrophobicContact CG-SD 3.9Å; R484-H493 PolarHBondContact N-NE2 3.49Å
485	E	96.7	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-105.1	176.5	173.4	-57.1	-159.2	149.4	0	0	111.9	W179 K180 E268 F474 H487	W179-E485 HydrophobicContact CE3-CB 4.17Å; W179-E485 VanDerWaalsContact CE3-OE2 3.3Å; K180-E485 IonicContact NZ-OE1 2.64Å; K180-E485 PolarHBondContact NZ-OE1 3.15Å; K180-E485 IonicContact NZ-OE2 2.87Å; E268-E485 HydrophobicContact CG-CG 3.86Å; F474-E485 PolarHBondContact N-O 3.28Å; F474-E485 PolarHBondContact O-N 3.04Å; E485-H487 PolarHBondContact O-N 3.08Å
486	T	97.5	Very high	96.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	65.9	-2.8	171.3	67.9	0	0	0	0	117.5	H130 W179 R459 A470 H471 A472 F474	H130-T486 VanDerWaalsContact NE2-CB 3.3Å; H130-T486 WeakPolarHBondContact NE2-CB 3.08Å; H130-T486 WeakPolarHBondContact NE2-CG2 3.36Å; W179-T486 HydrophobicContact CD2-CG2 3.38Å; W179-T486 HydrophobicContact CE3-CG2 3.72Å; W179-T486 HydrophobicContact CG-CG2 3.94Å; W179-T486 HydrophobicContact CH2-CG2 3.86Å; W179-T486 HydrophobicContact CZ2-CG2 3.54Å; W179-T486 HydrophobicContact CZ3-CG2 3.94Å; R459-T486 PolarHBondContact NH2-OG1 3.49Å; A470-T486 CarbonylContact C-O 3.47Å; A470-T486 WeakPolarHBondContact CA-O 3.33Å; H471-T486 PolarHBondContact N-O 3.41Å; A472-T486 PolarHBondContact O-OG1 3.22Å; F474-T486 HydrophobicContact CB-CG2 4.04Å; F474-T486 VanDerWaalsContact CB-OG1 3.25Å; F474-T486 WeakPolarHBondContact CB-OG1 3.37Å; F474-T486 PolarHBondContact N-OG1 3.42Å
487	H	98.3	Very high	96.8	Very high	33 Å²	33	51 Å²	51	15%	0.153	24%	0.242	C	C	.	.	S	Bend	trans	-124.7	161.8	177.4	178.9	-105.7	0	0	0	112.6	F134 H471 A473 E485 M489 M490	F134-H487 WeakPolarHBondContact CZ-O 3.25Å; H471-H487 AromaticContact CE1-NE2 3.96Å; H471-H487 AromaticContact ND1-CD2 3.8Å; H471-H487 PolarHBondContact O-CD2 2.84Å; A473-H487 HydrophobicContact CB-CB 3.97Å; E485-H487 PolarHBondContact O-N 3.08Å; H487-M489 HydrophobicContact CB-CG 4.24Å; H487-M489 HydrophobicContact CB-SD 4.21Å; H487-M489 WeakPolarHBondContact ND1-CG 3.38Å; H487-M489 PolarHBondContact ND1-N 3.29Å; H487-M489 PolarHBondContact ND1-SD 2.89Å; H487-M489 PolarHBondContact O-N 3.04Å; H487-M490 WeakPolarHBondContact O-CB 3.41Å; H487-M490 PolarHBondContact O-N 2.83Å
488	K	97.5	Very high	96.9	Very high	120 Å²	120	50.5 Å²	50.5	52%	0.522	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-58.9	-26.2	-174.6	66.6	174.5	-178.2	176.1	0	113.3	Y133 C137 M490 L491	Y133-K488 WeakPolarHBondContact OH-CB 3.34Å; Y133-K488 PolarHBondContact OH-N 3.02Å; C137-K488 HydrophobicContact CB-CB 4.2Å; K488-M490 PolarHBondContact O-N 2.83Å; K488-M490 VanDerWaalsContact O-N 3.11Å; K488-L491 WeakPolarHBondContact O-CB 3.36Å; K488-L491 WeakPolarHBondContact O-CG 3.38Å; K488-L491 PolarHBondContact O-N 3.01Å
489	M	96	Very high	96.9	Very high	71 Å²	71	50 Å²	50	35%	0.35	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-59	-20.7	175.4	73.2	-157.8	-15.8	0	0	113.1	A473 R484 H487 L491 E492	A473-M489 HydrophobicContact CB-SD 3.71Å; R484-M489 HydrophobicContact CB-CG 4.09Å; R484-M489 HydrophobicContact CB-SD 3.75Å; R484-M489 HydrophobicContact CG-SD 3.9Å; H487-M489 HydrophobicContact CB-CG 4.24Å; H487-M489 HydrophobicContact CB-SD 4.21Å; H487-M489 WeakPolarHBondContact ND1-CG 3.38Å; H487-M489 PolarHBondContact ND1-N 3.29Å; H487-M489 PolarHBondContact ND1-SD 2.89Å; H487-M489 PolarHBondContact O-N 3.04Å; M489-L491 PolarHBondContact O-N 3.31Å; M489-E492 WeakPolarHBondContact O-CB 3.36Å; M489-E492 PolarHBondContact O-N 2.91Å; M489-E492 VanDerWaalsContact O-N 3.15Å
490	M	96.9	Very high	97	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-64.3	-19.7	174.7	-166.2	57.1	-173.4	0	0	113	F134 P183 T266 H487 K488 E492 H493 Y494	F134-M490 HydrophobicContact CE1-CB 4.17Å; F134-M490 HydrophobicContact CZ-CB 3.89Å; P183-M490 HydrophobicContact CB-CB 4.19Å; P183-M490 HydrophobicContact CB-CG 3.85Å; P183-M490 HydrophobicContact CG-CB 4.47Å; P183-M490 HydrophobicContact CG-CG 3.77Å; T266-M490 HydrophobicContact CG2-CE 3.99Å; H487-M490 WeakPolarHBondContact O-CB 3.41Å; H487-M490 PolarHBondContact O-N 2.83Å; K488-M490 PolarHBondContact O-N 2.83Å; K488-M490 VanDerWaalsContact O-N 3.11Å; M490-E492 VanDerWaalsContact C-N 3.28Å; M490-E492 PolarHBondContact O-N 3.46Å; M490-H493 HydrophobicContact CE-CB 3.83Å; M490-H493 WeakPolarHBondContact O-CB 3.16Å; M490-H493 PolarHBondContact O-N 3.49Å; M490-H493 VanDerWaalsContact O-N 3.17Å; M490-H493 HydrophobicContact SD-CB 3.57Å; M490-H493 VanDerWaalsContact SD-CB 3.57Å; M490-H493 VanDerWaalsContact SD-CD2 3.58Å; M490-Y494 HydrophobicContact CE-CD2 3.99Å; M490-Y494 HydrophobicContact CE-CE2 3.24Å; M490-Y494 HydrophobicContact CG-CD2 4.17Å; M490-Y494 HydrophobicContact CG-CE2 3.94Å; M490-Y494 WeakPolarHBondContact O-CD2 3.26Å; M490-Y494 HydrophobicContact SD-CE2 4.28Å
491	L	98.1	Very high	96.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59	-40.7	172.5	-68.9	176.6	0	0	0	111.5	F134 C137 I138 Q141 A186 A187 K488 M489 H493 Y494 Q495	F134-L491 HydrophobicContact CD1-CD2 4.02Å; F134-L491 HydrophobicContact CD1-CG 4.25Å; F134-L491 HydrophobicContact CE1-CD2 4.43Å; F134-L491 HydrophobicContact CE1-CG 4.31Å; C137-L491 HydrophobicContact CB-CD1 4.07Å; I138-L491 HydrophobicContact CD1-CD1 4.44Å; I138-L491 HydrophobicContact CD1-CD2 4.41Å; Q141-L491 HydrophobicContact CB-CD1 4.36Å; Q141-L491 HydrophobicContact CG-CD1 4.46Å; A186-L491 HydrophobicContact CB-CD2 3.98Å; A187-L491 HydrophobicContact CB-CD2 4.37Å; K488-L491 WeakPolarHBondContact O-CB 3.36Å; K488-L491 WeakPolarHBondContact O-CG 3.38Å; K488-L491 PolarHBondContact O-N 3.01Å; M489-L491 PolarHBondContact O-N 3.31Å; L491-H493 PolarHBondContact O-N 3.4Å; L491-Y494 CarbonylContact O-C 3.5Å; L491-Y494 PolarHBondContact O-N 2.89Å; L491-Q495 WeakPolarHBondContact O-CG 3.33Å; L491-Q495 PolarHBondContact O-N 3.42Å; L491-Q495 VanDerWaalsContact O-N 3.13Å
492	E	95.9	Very high	97	Very high	133 Å²	133	56.5 Å²	56.5	62%	0.621	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-65.3	-27.9	178.4	-64.1	174.3	-177.8	0	0	112.2	M489 M490 Y494 Q495	M489-E492 WeakPolarHBondContact O-CB 3.36Å; M489-E492 PolarHBondContact O-N 2.91Å; M489-E492 VanDerWaalsContact O-N 3.15Å; M490-E492 VanDerWaalsContact C-N 3.28Å; M490-E492 PolarHBondContact O-N 3.46Å; E492-Y494 PolarHBondContact O-N 3.33Å; E492-Q495 PolarHBondContact O-N 3.13Å
493	H	96.9	Very high	97.1	Very high	59 Å²	59	55.8 Å²	55.8	27%	0.273	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-71.7	-13.2	173.5	-76.6	-73.9	0	0	0	113.4	K241 R484 M490 L491	K241-H493 WeakPolarHBondContact CD-O 3.26Å; K241-H493 WeakPolarHBondContact CE-O 3.33Å; R484-H493 PolarHBondContact N-NE2 3.49Å; M490-H493 HydrophobicContact CE-CB 3.83Å; M490-H493 WeakPolarHBondContact O-CB 3.16Å; M490-H493 PolarHBondContact O-N 3.49Å; M490-H493 VanDerWaalsContact O-N 3.17Å; M490-H493 HydrophobicContact SD-CB 3.57Å; M490-H493 VanDerWaalsContact SD-CB 3.57Å; M490-H493 VanDerWaalsContact SD-CD2 3.58Å; L491-H493 PolarHBondContact O-N 3.4Å
494	Y	98.6	Very high	97.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-118.5	10.3	179.6	-73.7	-67.2	0	0	0	112.9	L161 V164 Q166 P183 A184 N189 K241 M490 L491 E492	L161-Y494 PolarHBondContact N-O 3.16Å; V164-Y494 HydrophobicContact CB-CE1 4.44Å; V164-Y494 HydrophobicContact CG1-CD1 4.27Å; V164-Y494 HydrophobicContact CG2-CD1 4.31Å; V164-Y494 HydrophobicContact CG2-CE1 3.99Å; Q166-Y494 PolarHBondContact NE2-OH 2.91Å; Q166-Y494 VanDerWaalsContact NE2-OH 3.08Å; P183-Y494 HydrophobicContact CB-CD2 3.86Å; P183-Y494 HydrophobicContact CB-CE2 3.97Å; P183-Y494 HydrophobicContact CG-CD2 4.13Å; P183-Y494 HydrophobicContact CG-CE2 3.7Å; A184-Y494 HydrophobicContact CB-CD1 3.79Å; A184-Y494 HydrophobicContact CB-CD2 4.29Å; A184-Y494 HydrophobicContact CB-CE1 3.7Å; A184-Y494 HydrophobicContact CB-CE2 4.17Å; A184-Y494 HydrophobicContact CB-CG 4.1Å; N189-Y494 PolarHBondContact ND2-O 3.21Å; N189-Y494 PolarHBondContact OD1-O 3.25Å; K241-Y494 HydrophobicContact CD-CD1 3.78Å; K241-Y494 HydrophobicContact CD-CE1 3.75Å; M490-Y494 HydrophobicContact CE-CD2 3.99Å; M490-Y494 HydrophobicContact CE-CE2 3.24Å; M490-Y494 HydrophobicContact CG-CD2 4.17Å; M490-Y494 HydrophobicContact CG-CE2 3.94Å; M490-Y494 WeakPolarHBondContact O-CD2 3.26Å; M490-Y494 HydrophobicContact SD-CE2 4.28Å; L491-Y494 CarbonylContact O-C 3.5Å; L491-Y494 PolarHBondContact O-N 2.89Å; E492-Y494 PolarHBondContact O-N 3.33Å
495	Q	98.4	Very high	97.2	Very high	15 Å²	15	60.1 Å²	60.1	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.3	177.6	-66	175.8	-51.5	0	0	110.2	H158 E159 A187 L491 E492	H158-Q495 HydrophobicContact CB-CB 4.42Å; E159-Q495 CarbonylContact O-C 3.59Å; E159-Q495 WeakPolarHBondContact O-CA 3.49Å; E159-Q495 WeakPolarHBondContact O-CB 3.4Å; A187-Q495 HydrophobicContact CB-CG 3.64Å; L491-Q495 WeakPolarHBondContact O-CG 3.33Å; L491-Q495 PolarHBondContact O-N 3.42Å; L491-Q495 VanDerWaalsContact O-N 3.13Å; E492-Q495 PolarHBondContact O-N 3.13Å
496	Q	96.7	Very high	97.1	Very high	97 Å²	97	68.2 Å²	68.2	45%	0.453	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.2	164.9	63	-170.7	10.5	0	0	108.9	E159 L161	E159-Q496 HydrophobicContact CB-CG 3.97Å; E159-Q496 PolarHBondContact N-O 3.37Å; E159-Q496 PolarHBondContact O-N 2.97Å; E159-Q496 PolarHBondContact OE2-NE2 2.9Å; E159-Q496 VanDerWaalsContact OE2-NE2 3.13Å; L161-Q496 HydrophobicContact CD2-CB 4.19Å
497	T	96.3	Very high	96.9	Very high	83 Å²	83	75.6 Å²	75.6	51%	0.509	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.3	174.8	-56.1	0	0	0	0	109.4	H156 F157	H156-T497 HydrophobicContact CB-CG2 3.78Å; F157-T497 CarbonylContact O-C 3.56Å; F157-T497 WeakPolarHBondContact O-CA 3.48Å
498	K	97.1	Very high	96.7	Very high	100 Å²	100	79.6 Å²	79.6	44%	0.435	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.6	170.6	-178.3	164.3	-71.6	157.1	0	109.8	H156 F157 E159	H156-K498 WeakPolarHBondContact CA-O 3.43Å; F157-K498 HydrophobicContact CB-CB 4.46Å; F157-K498 PolarHBondContact N-O 3.4Å; F157-K498 PolarHBondContact O-N 2.95Å; E159-K498 WeakPolarHBondContact OE1-CD 3.5Å; E159-K498 WeakPolarHBondContact OE1-CE 3.2Å; E159-K498 IonicContact OE1-NZ 3.35Å; E159-K498 PolarHBondContact OE1-NZ 2.89Å; E159-K498 WeakPolarHBondContact OE2-CE 3.15Å; E159-K498 IonicContact OE2-NZ 2.72Å; E159-K498 PolarHBondContact OE2-NZ 3.3Å
499	C	97.5	Very high	96.3	Very high	71 Å²	71	81.7 Å²	81.7	48%	0.48	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.2	169.3	-179	0	0	0	0	109.7	Y155	Y155-C499 CarbonylContact O-C 3.47Å; Y155-C499 VanDerWaalsContact O-CA 3.29Å; Y155-C499 WeakPolarHBondContact O-CA 3.14Å
500	L	97.5	Very high	96.1	Very high	91 Å²	91	81.4 Å²	81.4	48%	0.476	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	102.3	169	-177.1	67.8	0	0	0	108.2	Y155 F157 V502	Y155-L500 WeakPolarHBondContact CD2-O 3.2Å; Y155-L500 PolarHBondContact N-O 3.19Å; Y155-L500 PolarHBondContact O-N 3.39Å; F157-L500 HydrophobicContact CD2-CB 4.41Å; F157-L500 HydrophobicContact CE2-CB 3.9Å; F157-L500 HydrophobicContact CE2-CD2 4.1Å; L500-V502 HydrophobicContact CD2-CG2 4.06Å; L500-V502 HydrophobicContact CG-CG2 3.77Å
501	L	97.6	Very high	95.8	Very high	114 Å²	114	87.7 Å²	87.7	60%	0.597	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.2	176	-171.7	68.3	0	0	0	109.4	V148 T152 A154	V148-L501 HydrophobicContact CG2-CD1 4.17Å; T152-L501 HydrophobicContact CG2-CD1 3.78Å; T152-L501 HydrophobicContact CG2-CG 4.22Å; A154-L501 HydrophobicContact CB-CD1 3.75Å
502	V	97.8	Very high	95	Very high	34 Å²	34	100.2 Å²	100.2	21%	0.206	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.4	-174.8	-173.2	0	0	0	0	108.8	T152 V153 Y155 L500 Y504	T152-V502 WeakPolarHBondContact CA-O 3.45Å; V153-V502 PolarHBondContact N-O 2.87Å; V153-V502 PolarHBondContact O-N 3.21Å; Y155-V502 HydrophobicContact CD2-CG2 3.83Å; Y155-V502 HydrophobicContact CE2-CB 4.07Å; Y155-V502 HydrophobicContact CE2-CG2 3.73Å; L500-V502 HydrophobicContact CD2-CG2 4.06Å; L500-V502 HydrophobicContact CG-CG2 3.77Å; V502-Y504 HydrophobicContact CB-CE2 4.15Å; V502-Y504 HydrophobicContact CG1-CD1 4.33Å; V502-Y504 HydrophobicContact CG1-CD2 4.25Å; V502-Y504 HydrophobicContact CG1-CE1 3.91Å; V502-Y504 HydrophobicContact CG1-CE2 3.82Å; V502-Y504 HydrophobicContact CG1-CG 4.49Å
503	S	97.2	Very high	95	Very high	72 Å²	72	98.6 Å²	98.6	50%	0.503	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.7	161.1	176.7	0	0	0	0	108.5	E151 S505	E151-S503 CarbonylContact O-C 3.35Å; S503-S505 VanDerWaalsContact C-N 3.35Å; S503-S505 WeakPolarHBondContact OG-CB 3.24Å; S503-S505 PolarHBondContact OG-N 2.99Å; S503-S505 VanDerWaalsContact OG-N 3.15Å
504	Y	96.7	Very high	94.9	Very high	134 Å²	134	100.6 Å²	100.6	53%	0.525	54%	0.537	S	S	.	.			trans	-94.6	3.6	169.1	-64.8	-78.9	0	0	0	111.9	E151 V153 Y155 V502	E151-Y504 PolarHBondContact O-N 3.24Å; V153-Y504 HydrophobicContact CB-CE2 4.42Å; V153-Y504 HydrophobicContact CG2-CE2 4.31Å; Y155-Y504 PolarHBondContact OH-OH 3.14Å; V502-Y504 HydrophobicContact CB-CE2 4.15Å; V502-Y504 HydrophobicContact CG1-CD1 4.33Å; V502-Y504 HydrophobicContact CG1-CD2 4.25Å; V502-Y504 HydrophobicContact CG1-CE1 3.91Å; V502-Y504 HydrophobicContact CG1-CE2 3.82Å; V502-Y504 HydrophobicContact CG1-CG 4.49Å
505	S	95.4	Very high	94.6	Very high	31 Å²	31	106.2 Å²	106.2	22%	0.217	57%	0.567	C	S	.	*			trans	-77.3	125.3	172.8	-155.6	0	0	0	0	110.5	E151 S503 K507	E151-S505 WeakPolarHBondContact OE2-CB 3.4Å; E151-S505 PolarHBondContact OE2-OG 2.95Å; S503-S505 VanDerWaalsContact C-N 3.35Å; S503-S505 WeakPolarHBondContact OG-CB 3.24Å; S503-S505 PolarHBondContact OG-N 2.99Å; S503-S505 VanDerWaalsContact OG-N 3.15Å; S505-K507 PolarHBondContact O-N 3.1Å
506	D	95.3	Very high	94.4	Very high	170 Å²	170	111.6 Å²	111.6	91%	0.909	60%	0.596	S	S	*	*			trans	-81.9	0.6	171.1	-66.9	-36.5	0	0	0	112.5
507	K	93.9	Very high	94.3	Very high	156 Å²	156	112.5 Å²	112.5	68%	0.678	61%	0.605	S	S	*	*	S	Bend	trans	-87	143.3	-175.2	-66.3	176.9	-174.7	162.1	0	111.6	S505	S505-K507 PolarHBondContact O-N 3.1Å
508	P	92.5	Very high	94.1	Very high	117 Å²	117	114.5 Å²	114.5	76%	0.76	61%	0.611	S	S	*	*			trans	-67.2	150.8	169	30.4	-34.7	0	0	0	110.6	G510	P508-G510 PolarHBondContact O-N 2.81Å
509	L	89.7	Confident	93.9	Very high	164 Å²	164	115.5 Å²	115.5	86%	0.859	62%	0.624	S	S	*	*			trans	-63.3	-22.6	171.7	-77.6	158.7	0	0	0	112.9	L511	L509-L511 HydrophobicContact CB-CD1 4.14Å; L509-L511 HydrophobicContact CB-CG 4.42Å; L509-L511 HydrophobicContact CD1-CD1 4.37Å; L509-L511 PolarHBondContact O-N 2.73Å
510	G	92.3	Very high	93.7	Very high	64 Å²	64	118.9 Å²	118.9	66%	0.66	64%	0.635	S	S	*	*	S	Bend	trans	70.9	14	-176.6	0	0	0	0	0	114.6	P508 F512	P508-G510 PolarHBondContact O-N 2.81Å; G510-F512 VanDerWaalsContact C-N 3.29Å
511	L	90.4	Very high	93.3	Very high	133 Å²	133	121.3 Å²	121.3	70%	0.696	65%	0.648	S	S	*	*			trans	-75.2	-18.7	174.8	-78.9	160.6	0	0	0	113	L509	L509-L511 HydrophobicContact CB-CD1 4.14Å; L509-L511 HydrophobicContact CB-CG 4.42Å; L509-L511 HydrophobicContact CD1-CD1 4.37Å; L509-L511 PolarHBondContact O-N 2.73Å
512	F	81.3	Confident	93	Very high	266 Å²	266	121.9 Å²	121.9	100%	1.167	65%	0.653	S	S	*	*			trans	-137.9	0	-177.3	-59.4	-66.4	0	0	0	111.7	G510	G510-F512 VanDerWaalsContact C-N 3.29Å

Retrieved 512 of 512 residues in 317.7 ms (Link to these results)

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