A0A087XW64_POEFO Loading...

Phosphoacetylglucosamine mutase

Catalyzes the conversion of GlcNAc-6-P into GlcNAc-1-P during the synthesis of uridine diphosphate/UDP-GlcNAc, a sugar nucleotide critical to multiple glycosylation pathways including protein N- and O-glycosylation.

AlphaFold DB , UniProt , Accession A0A087XW64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 546 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	48.4	Very low	84.7	Confident	198 Å²	198	77 Å²	77	98%	0.975	40%	0.396	S	S	*	.				0	-45.6	0	-84.6	175.4	157.6	0	0	111.9	H3 F4	M1-H3 VanDerWaalsContact C-N 3.31Å; M1-H3 PolarHBondContact O-N 3.5Å; M1-F4 PolarHBondContact O-N 2.77Å
2	A	60.2	Low	85.6	Confident	74 Å²	74	79.9 Å²	79.9	61%	0.612	41%	0.413	S	S	*	.	H	α-helix	trans	-55.6	-32.8	179.1	0	0	0	0	0	116	F4 E5	A2-F4 PolarHBondContact O-N 3.44Å; A2-F4 VanDerWaalsContact O-N 3.13Å; A2-E5 PolarHBondContact O-N 2.56Å
3	H	70.1	Confident	86.5	Confident	110 Å²	110	82.7 Å²	82.7	51%	0.509	43%	0.428	S	S	.	.	H	α-helix	trans	-62.8	-19.8	-177.2	-61.8	-63.1	0	0	0	115.5	M1	M1-H3 VanDerWaalsContact C-N 3.31Å; M1-H3 PolarHBondContact O-N 3.5Å
4	F	91.7	Very high	87.3	Confident	29 Å²	29	77.6 Å²	77.6	13%	0.127	40%	0.401	C	S	.	.	H	α-helix	trans	-106.6	-10.3	-176	-64.3	-70.3	0	0	0	113.8	M1 A2 V7 C8 V104 L107 K108 I111 L148	M1-F4 PolarHBondContact O-N 2.77Å; A2-F4 PolarHBondContact O-N 3.44Å; A2-F4 VanDerWaalsContact O-N 3.13Å; F4-V7 HydrophobicContact CD1-CG2 4.32Å; F4-V7 PolarHBondContact O-N 2.98Å; F4-C8 PolarHBondContact O-N 2.95Å; F4-C8 PolarHBondContact O-SG 3.37Å; F4-V104 HydrophobicContact CB-CG1 3.81Å; F4-V104 HydrophobicContact CB-CG2 4.05Å; F4-V104 HydrophobicContact CD1-CG1 4.05Å; F4-V104 HydrophobicContact CD1-CG2 4.41Å; F4-V104 HydrophobicContact CD2-CG1 4.31Å; F4-V104 HydrophobicContact CG-CG1 3.8Å; F4-L107 HydrophobicContact CD1-CD1 4.24Å; F4-L107 HydrophobicContact CE1-CB 3.95Å; F4-L107 HydrophobicContact CE1-CD1 4.08Å; F4-K108 HydrophobicContact CE2-CG 4.07Å; F4-K108 HydrophobicContact CZ-CG 4.11Å; F4-I111 HydrophobicContact CE1-CD1 4.29Å; F4-I111 HydrophobicContact CZ-CD1 3.63Å; F4-L148 HydrophobicContact CD1-CD1 4.29Å; F4-L148 HydrophobicContact CE1-CD1 3.9Å
5	E	91.1	Very high	87.8	Confident	137 Å²	137	78 Å²	78	64%	0.64	41%	0.41	S	S	*	.	H	α-helix	trans	-65	-44.7	176.1	-72.4	174.4	-169.3	0	0	110.8	A2 V7 C8 K9	A2-E5 PolarHBondContact O-N 2.56Å; E5-V7 VanDerWaalsContact C-N 3.33Å; E5-V7 PolarHBondContact O-N 3.29Å; E5-C8 PolarHBondContact O-N 3.46Å; E5-K9 PolarHBondContact O-N 2.79Å; E5-K9 VanDerWaalsContact O-N 3.1Å
6	E	93.8	Very high	88.3	Confident	72 Å²	72	75.9 Å²	75.9	34%	0.336	40%	0.397	S	S	.	.	H	α-helix	trans	-66.8	-35.4	175.3	-169.6	61.2	-160.6	0	0	111.6	K9 Q10	E6-K9 PolarHBondContact O-N 2.86Å; E6-K9 IonicContact OE2-NZ 3.77Å; E6-Q10 HydrophobicContact CG-CG 4.12Å; E6-Q10 WeakPolarHBondContact O-CB 3.22Å; E6-Q10 WeakPolarHBondContact O-CG 3.49Å; E6-Q10 PolarHBondContact O-N 3.27Å; E6-Q10 WeakPolarHBondContact OE1-CG 3.41Å; E6-Q10 PolarHBondContact OE1-NE2 3.03Å
7	V	96.1	Very high	88.5	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-58.8	-48.9	173.5	176.1	0	0	0	0	111.2	F4 E5 K9 S11 L45 L103 L107 A147 L148	F4-V7 HydrophobicContact CD1-CG2 4.32Å; F4-V7 PolarHBondContact O-N 2.98Å; E5-V7 VanDerWaalsContact C-N 3.33Å; E5-V7 PolarHBondContact O-N 3.29Å; V7-K9 PolarHBondContact O-N 2.87Å; V7-S11 WeakPolarHBondContact O-CB 3.4Å; V7-S11 PolarHBondContact O-N 2.96Å; V7-L45 HydrophobicContact CG1-CD1 3.96Å; V7-L45 HydrophobicContact CG1-CD2 4.11Å; V7-L45 HydrophobicContact CG2-CD2 3.96Å; V7-L103 HydrophobicContact CG1-CD2 4.28Å; V7-L107 HydrophobicContact CG1-CD1 3.89Å; V7-A147 HydrophobicContact CG2-CB 4.2Å; V7-A147 WeakPolarHBondContact CG2-O 3.42Å; V7-L148 HydrophobicContact CG2-CB 4.42Å; V7-L148 HydrophobicContact CG2-CD1 3.95Å
8	C	93.9	Very high	88.5	Confident	63 Å²	63	76.3 Å²	76.3	43%	0.426	42%	0.421	S	S	.	.	H	α-helix	trans	-58.5	-49.9	177.1	-71	0	0	0	0	111.3	F4 E5 Q10 S11 D12 V104	F4-C8 PolarHBondContact O-N 2.95Å; F4-C8 PolarHBondContact O-SG 3.37Å; E5-C8 PolarHBondContact O-N 3.46Å; C8-Q10 PolarHBondContact O-N 2.9Å; C8-S11 WeakPolarHBondContact O-CB 3.17Å; C8-S11 PolarHBondContact O-N 3.47Å; C8-D12 PolarHBondContact O-N 3.06Å; C8-V104 WeakPolarHBondContact SG-CG2 3.32Å
9	K	94.2	Very high	88.4	Confident	128 Å²	128	76.5 Å²	76.5	56%	0.557	44%	0.442	S	S	*	.	H	α-helix	trans	-61.2	-44.6	-177.5	-179.6	-174.4	166.6	-159.6	0	112.7	E5 E6 V7	E5-K9 PolarHBondContact O-N 2.79Å; E5-K9 VanDerWaalsContact O-N 3.1Å; E6-K9 PolarHBondContact O-N 2.86Å; E6-K9 IonicContact OE2-NZ 3.77Å; V7-K9 PolarHBondContact O-N 2.87Å
10	Q	96.1	Very high	88.5	Confident	35 Å²	35	74 Å²	74	16%	0.164	43%	0.427	C	S	.	.	H	α-helix	trans	-71.7	-36.7	178.1	-67.2	-59.7	-39.1	0	0	111.4	E6 C8 D12 L13 H14 F41 A147	E6-Q10 HydrophobicContact CG-CG 4.12Å; E6-Q10 WeakPolarHBondContact O-CB 3.22Å; E6-Q10 WeakPolarHBondContact O-CG 3.49Å; E6-Q10 PolarHBondContact O-N 3.27Å; E6-Q10 WeakPolarHBondContact OE1-CG 3.41Å; E6-Q10 PolarHBondContact OE1-NE2 3.03Å; C8-Q10 PolarHBondContact O-N 2.9Å; Q10-D12 PolarHBondContact O-N 3.43Å; Q10-L13 WeakPolarHBondContact O-CB 3.09Å; Q10-L13 PolarHBondContact O-N 3.43Å; Q10-H14 PolarHBondContact O-CD2 2.83Å; Q10-H14 VanDerWaalsContact O-CD2 3.26Å; Q10-F41 HydrophobicContact CB-CE2 3.61Å; Q10-F41 HydrophobicContact CB-CZ 3.82Å; Q10-A147 HydrophobicContact CB-CB 4.07Å; Q10-A147 HydrophobicContact CG-CB 4.01Å
11	S	96.1	Very high	88.6	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.007	44%	0.439	C	S	.	.	H	α-helix	trans	-58.2	-32.3	176.9	-168.5	0	0	0	0	112.1	V7 C8 L13 H14 Q100 L103	V7-S11 WeakPolarHBondContact O-CB 3.4Å; V7-S11 PolarHBondContact O-N 2.96Å; C8-S11 WeakPolarHBondContact O-CB 3.17Å; C8-S11 PolarHBondContact O-N 3.47Å; S11-L13 PolarHBondContact O-N 2.95Å; S11-H14 CarbonylContact O-C 3.23Å; S11-H14 VanDerWaalsContact O-C 3.23Å; S11-H14 WeakPolarHBondContact O-CA 3.45Å; S11-H14 PolarHBondContact O-N 3.26Å; S11-Q100 VanDerWaalsContact CB-NE2 3.32Å; S11-Q100 PolarHBondContact O-NE2 3.39Å; S11-Q100 VanDerWaalsContact OG-CD 3.26Å; S11-Q100 PolarHBondContact OG-NE2 3.02Å; S11-Q100 PolarHBondContact OG-OE1 3Å; S11-L103 VanDerWaalsContact OG-CD2 3.25Å; S11-L103 WeakPolarHBondContact OG-CD2 3.29Å
12	D	95.5	Very high	90.5	Very high	112 Å²	112	67.9 Å²	67.9	60%	0.599	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.2	177.4	-69.4	-18.9	0	0	0	113.5	C8 Q10 H14 Q100	C8-D12 PolarHBondContact O-N 3.06Å; Q10-D12 PolarHBondContact O-N 3.43Å; D12-H14 VanDerWaalsContact C-N 3.3Å; D12-Q100 PolarHBondContact OD1-NE2 3.25Å
13	L	97.1	Very high	92	Very high	116 Å²	116	71.2 Å²	71.2	61%	0.607	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.9	171.4	-55	179.4	0	0	0	112.5	Q10 S11 P15	Q10-L13 WeakPolarHBondContact O-CB 3.09Å; Q10-L13 PolarHBondContact O-N 3.43Å; S11-L13 PolarHBondContact O-N 2.95Å; L13-P15 VanDerWaalsContact C-CD 3.42Å; L13-P15 WeakPolarHBondContact O-CD 3.46Å
14	H	97.6	Very high	93	Very high	11 Å²	11	66.3 Å²	66.3	5%	0.051	38%	0.38	C	S	.	.	S	Bend	trans	-123.5	63.3	-178.5	-56.4	-71.6	0	0	0	111.4	Q10 S11 D12 K16 D37 H38 F41 D143	Q10-H14 PolarHBondContact O-CD2 2.83Å; Q10-H14 VanDerWaalsContact O-CD2 3.26Å; S11-H14 CarbonylContact O-C 3.23Å; S11-H14 VanDerWaalsContact O-C 3.23Å; S11-H14 WeakPolarHBondContact O-CA 3.45Å; S11-H14 PolarHBondContact O-N 3.26Å; D12-H14 VanDerWaalsContact C-N 3.3Å; H14-K16 PolarHBondContact O-N 3.3Å; H14-D37 VanDerWaalsContact CA-OD2 3.32Å; H14-D37 WeakPolarHBondContact CA-OD2 3.48Å; H14-D37 WeakPolarHBondContact CB-OD2 3.28Å; H14-D37 IonicContact CE1-OD2 3.54Å; H14-D37 IonicContact CG-OD2 3.46Å; H14-D37 IonicContact ND1-OD1 2.65Å; H14-D37 PolarHBondContact ND1-OD1 2.84Å; H14-D37 IonicContact ND1-OD2 3.76Å; H14-D37 PolarHBondContact ND1-OD2 2.95Å; H14-H38 WeakPolarHBondContact O-CB 3.37Å; H14-F41 HydrophobicContact CB-CB 3.88Å; H14-F41 HydrophobicContact CB-CD1 4.36Å; H14-F41 HydrophobicContact CB-CG 4.08Å; H14-F41 AromaticContact CD2-CD2 3.33Å; H14-F41 WeakPolarHBondContact CD2-CD2 3.19Å; H14-F41 AromaticContact CD2-CE2 3.99Å; H14-F41 AromaticContact CD2-CG 3.54Å; H14-F41 AromaticContact CG-CG 3.92Å; H14-F41 AromaticContact NE2-CD2 3.8Å; H14-D143 IonicContact CE1-OD2 3.82Å; H14-D143 IonicContact NE2-OD2 2.83Å
15	P	95.9	Very high	92.6	Very high	84 Å²	84	66.2 Å²	66.2	55%	0.545	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-67.8	134.6	-171.7	28.4	-35.6	0	0	0	112.1	L13 P17	L13-P15 VanDerWaalsContact C-CD 3.42Å; L13-P15 WeakPolarHBondContact O-CD 3.46Å; P15-P17 WeakPolarHBondContact O-CD 3.37Å
16	K	94.6	Very high	91.9	Very high	45 Å²	45	63 Å²	63	20%	0.196	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-65	126.1	171.4	174.7	-178	164.1	-159.6	0	110.5	H14 N97 T98 D99	H14-K16 PolarHBondContact O-N 3.3Å; K16-N97 PolarHBondContact NZ-O 2.91Å; K16-T98 WeakPolarHBondContact CD-O 3.35Å; K16-D99 IonicContact NZ-OD1 2.68Å; K16-D99 PolarHBondContact NZ-OD1 3.49Å
17	P	92.3	Very high	91.5	Very high	50 Å²	50	60.7 Å²	60.7	33%	0.325	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-62.5	137.5	171.4	-22.7	34	0	0	0	112.4	P15 G19 L20 H38	P15-P17 WeakPolarHBondContact O-CD 3.37Å; P17-G19 PolarHBondContact O-N 3.47Å; P17-L20 HydrophobicContact CB-CB 4.14Å; P17-L20 HydrophobicContact CB-CD2 4.19Å; P17-L20 HydrophobicContact CG-CD2 3.94Å; P17-L20 PolarHBondContact O-N 2.87Å; P17-H38 VanDerWaalsContact CD-ND1 3.3Å; P17-H38 WeakPolarHBondContact CD-ND1 3.23Å
18	A	89.1	Confident	91.4	Very high	109 Å²	109	61 Å²	61	90%	0.901	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	134	180	0	0	0	0	0	111.9	L20	A18-L20 PolarHBondContact O-N 3.43Å
19	G	86.7	Confident	91.5	Very high	80 Å²	80	58 Å²	58	83%	0.825	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	0.3	177.3	0	0	0	0	0	115.8	P17 V21	P17-G19 PolarHBondContact O-N 3.47Å; G19-V21 PolarHBondContact O-N 3.48Å
20	L	89.6	Confident	91.4	Very high	25 Å²	25	53.8 Å²	53.8	13%	0.131	33%	0.334	C	S	.	.			trans	-76.3	122.9	176.7	-178.1	61.5	0	0	0	110.5	P17 A18 L22 K35	P17-L20 HydrophobicContact CB-CB 4.14Å; P17-L20 HydrophobicContact CB-CD2 4.19Å; P17-L20 HydrophobicContact CG-CD2 3.94Å; P17-L20 PolarHBondContact O-N 2.87Å; A18-L20 PolarHBondContact O-N 3.43Å; L20-L22 HydrophobicContact CD1-CD1 3.97Å; L20-L22 HydrophobicContact CD1-CG 3.97Å; L20-L22 HydrophobicContact CD2-CD1 4.13Å; L20-L22 HydrophobicContact CG-CD1 4.12Å; L20-L22 HydrophobicContact CG-CG 4.31Å; L20-K35 HydrophobicContact CD1-CD 4.19Å; L20-K35 HydrophobicContact CD2-CB 3.85Å; L20-K35 HydrophobicContact CD2-CG 4.28Å
21	V	90.4	Very high	91.3	Very high	113 Å²	113	53.6 Å²	53.6	69%	0.685	34%	0.335	S	S	*	.			trans	-126	129	172.4	-179.1	0	0	0	0	108.3	G19 N97	G19-V21 PolarHBondContact O-N 3.48Å; V21-N97 VanDerWaalsContact CA-OD1 3.31Å; V21-N97 WeakPolarHBondContact CA-OD1 3.29Å
22	L	89.7	Confident	91.2	Very high	31 Å²	31	55.2 Å²	55.2	16%	0.162	35%	0.347	C	S	.	.			trans	-135.8	146.1	179.9	-74.7	168.3	0	0	0	110.5	L20 F29 T31 I39 N97	L20-L22 HydrophobicContact CD1-CD1 3.97Å; L20-L22 HydrophobicContact CD1-CG 3.97Å; L20-L22 HydrophobicContact CD2-CD1 4.13Å; L20-L22 HydrophobicContact CG-CD1 4.12Å; L20-L22 HydrophobicContact CG-CG 4.31Å; L22-F29 HydrophobicContact CB-CD1 3.99Å; L22-F29 HydrophobicContact CB-CE1 4.08Å; L22-T31 HydrophobicContact CD1-CG2 3.73Å; L22-T31 HydrophobicContact CD2-CG2 4.46Å; L22-I39 HydrophobicContact CB-CD1 4.24Å; L22-I39 HydrophobicContact CD1-CD1 3.25Å; L22-I39 HydrophobicContact CG-CD1 4.33Å; L22-N97 PolarHBondContact N-OD1 2.91Å; L22-N97 PolarHBondContact O-ND2 2.82Å; L22-N97 PolarHBondContact O-OD1 2.81Å
23	Q	90.6	Very high	91.3	Very high	145 Å²	145	50.6 Å²	50.6	68%	0.678	32%	0.324	S	S	*	.			trans	-107.6	140.4	177.5	-172.9	175.9	7.5	0	0	109.9	G25 F29 T93	Q23-G25 PolarHBondContact O-N 3.07Å; Q23-F29 WeakPolarHBondContact O-CD1 3.44Å; Q23-T93 HydrophobicContact CG-CG2 4.46Å
24	Y	90.9	Very high	91.2	Very high	6 Å²	6	51.1 Å²	51.1	2%	0.024	33%	0.328	C	S	.	.			trans	-72.7	108.8	169.7	-164.4	-80.6	0	0	0	108.2	G28 F29 M43 L76 L84 E89 A92 T93	Y24-G28 VanDerWaalsContact CZ-CA 3.44Å; Y24-F29 AromaticContact CD2-CD2 3.66Å; Y24-F29 HydrophobicContact CD2-CD2 3.66Å; Y24-F29 AromaticContact CD2-CE2 3.54Å; Y24-F29 HydrophobicContact CD2-CE2 3.54Å; Y24-F29 HydrophobicContact CD2-CG 4.3Å; Y24-F29 HydrophobicContact CD2-CZ 4.06Å; Y24-F29 HydrophobicContact CE2-CD2 4.29Å; Y24-F29 HydrophobicContact CE2-CE2 4.42Å; Y24-F29 HydrophobicContact CG-CE2 4.38Å; Y24-F29 HydrophobicContact CG-CZ 4.49Å; Y24-F29 VanDerWaalsContact N-CE1 3.29Å; Y24-M43 HydrophobicContact CE2-SD 4.43Å; Y24-L76 PolarHBondContact OH-N 2.89Å; Y24-L84 HydrophobicContact CE1-CD2 4.15Å; Y24-L84 HydrophobicContact CE2-CD2 4.46Å; Y24-E89 HydrophobicContact CD1-CB 3.92Å; Y24-E89 HydrophobicContact CD1-CG 3.65Å; Y24-E89 HydrophobicContact CE1-CG 3.97Å; Y24-E89 HydrophobicContact CG-CB 4.45Å; Y24-A92 HydrophobicContact CD2-CB 3.43Å; Y24-A92 VanDerWaalsContact CD2-CB 3.43Å; Y24-A92 HydrophobicContact CE2-CB 4.05Å; Y24-A92 HydrophobicContact CG-CB 3.84Å; Y24-T93 WeakPolarHBondContact CB-OG1 3.48Å; Y24-T93 PolarHBondContact N-OG1 3.45Å
25	G	83.4	Confident	91.1	Very high	28 Å²	28	55 Å²	55	29%	0.289	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-88.6	-173.5	-179.6	0	0	0	0	0	112.8	Q23 A27 G28	Q23-G25 PolarHBondContact O-N 3.07Å; G25-A27 PolarHBondContact O-N 3.21Å; G25-G28 PolarHBondContact N-O 3.19Å; G25-G28 PolarHBondContact O-N 3.14Å
26	T	76.5	Confident	91.2	Very high	70 Å²	70	51 Å²	51	43%	0.429	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-27.7	179.2	52.2	0	0	0	0	113.9	M83	T26-M83 WeakPolarHBondContact O-CE 3.42Å
27	A	85.5	Confident	91.4	Very high	23 Å²	23	51.4 Å²	51.4	19%	0.19	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	36.4	178.4	0	0	0	0	0	112.6	G25 R30 K75	G25-A27 PolarHBondContact O-N 3.21Å; A27-R30 PolarHBondContact O-NE 3.43Å; A27-K75 WeakPolarHBondContact O-CG 3.31Å
28	G	93.3	Very high	91.7	Very high	6 Å²	6	49.1 Å²	49.1	6%	0.062	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	82.4	-157.9	175.2	0	0	0	0	0	115	Y24 G25 V74	Y24-G28 VanDerWaalsContact CZ-CA 3.44Å; G25-G28 PolarHBondContact N-O 3.19Å; G25-G28 PolarHBondContact O-N 3.14Å; G28-V74 WeakPolarHBondContact CA-O 3.42Å
29	F	95.6	Very high	92.1	Very high	1 Å²	1	44 Å²	44	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.5	173.4	-69.6	-68.1	0	0	0	110.2	L22 Q23 Y24 L36 I39 M43 G73 V74 A92 A96	L22-F29 HydrophobicContact CB-CD1 3.99Å; L22-F29 HydrophobicContact CB-CE1 4.08Å; Q23-F29 WeakPolarHBondContact O-CD1 3.44Å; Y24-F29 AromaticContact CD2-CD2 3.66Å; Y24-F29 HydrophobicContact CD2-CD2 3.66Å; Y24-F29 AromaticContact CD2-CE2 3.54Å; Y24-F29 HydrophobicContact CD2-CE2 3.54Å; Y24-F29 HydrophobicContact CD2-CG 4.3Å; Y24-F29 HydrophobicContact CD2-CZ 4.06Å; Y24-F29 HydrophobicContact CE2-CD2 4.29Å; Y24-F29 HydrophobicContact CE2-CE2 4.42Å; Y24-F29 HydrophobicContact CG-CE2 4.38Å; Y24-F29 HydrophobicContact CG-CZ 4.49Å; Y24-F29 VanDerWaalsContact N-CE1 3.29Å; F29-L36 HydrophobicContact CB-CD2 4.5Å; F29-I39 HydrophobicContact CB-CG2 3.95Å; F29-I39 HydrophobicContact CD2-CG2 3.33Å; F29-I39 HydrophobicContact CE2-CG2 3.89Å; F29-I39 HydrophobicContact CG-CG2 3.69Å; F29-M43 HydrophobicContact CD2-CG 4.13Å; F29-M43 HydrophobicContact CD2-SD 4.04Å; F29-M43 HydrophobicContact CE2-CE 3.81Å; F29-M43 HydrophobicContact CE2-CG 4.25Å; F29-M43 HydrophobicContact CE2-SD 3.66Å; F29-G73 CarbonylContact O-C 3.57Å; F29-G73 WeakPolarHBondContact O-CA 3.3Å; F29-V74 HydrophobicContact CB-CG1 4.09Å; F29-V74 HydrophobicContact CD2-CG1 4.19Å; F29-V74 PolarHBondContact N-O 3.27Å; F29-V74 PolarHBondContact O-N 2.8Å; F29-A92 HydrophobicContact CE2-CB 4.15Å; F29-A92 HydrophobicContact CZ-CB 4.42Å; F29-A92 WeakPolarHBondContact CZ-O 3.32Å; F29-A96 HydrophobicContact CE1-CB 3.81Å; F29-A96 HydrophobicContact CE2-CB 3.78Å; F29-A96 HydrophobicContact CZ-CB 3.26Å
30	R	93.4	Very high	92.7	Very high	39 Å²	39	40.1 Å²	40.1	15%	0.147	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	130.8	173.8	-62.4	-177.5	-174.2	-162.9	-1.6	110.2	A27 A64 N67 N72 K75	A27-R30 PolarHBondContact O-NE 3.43Å; R30-A64 PolarHBondContact NH1-O 3.14Å; R30-N67 PolarHBondContact NH1-OD1 3.29Å; R30-N72 WeakPolarHBondContact CA-O 3.26Å; R30-K75 VanDerWaalsContact NH2-CE 3.25Å
31	T	92.6	Very high	93.1	Very high	30 Å²	30	39 Å²	39	18%	0.184	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-171.2	171.3	-168.2	0	0	0	0	108.8	L22 A33 K35 L36 D71 N72	L22-T31 HydrophobicContact CD1-CG2 3.73Å; L22-T31 HydrophobicContact CD2-CG2 4.46Å; T31-A33 PolarHBondContact O-N 3.46Å; T31-K35 HydrophobicContact CG2-CB 3.85Å; T31-L36 HydrophobicContact CG2-CD1 4.46Å; T31-L36 HydrophobicContact CG2-CD2 3.67Å; T31-L36 HydrophobicContact CG2-CG 3.83Å; T31-D71 CarbonylContact O-C 3.56Å; T31-D71 VanDerWaalsContact O-CA 3.31Å; T31-D71 WeakPolarHBondContact O-CA 3.38Å; T31-D71 WeakPolarHBondContact O-CB 3.46Å; T31-N72 PolarHBondContact N-O 3Å; T31-N72 PolarHBondContact O-N 3.05Å; T31-N72 VanDerWaalsContact O-O 3.11Å
32	S	95.1	Very high	93.5	Very high	36 Å²	36	33.6 Å²	33.6	25%	0.252	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	134.3	172.1	-172.4	0	0	0	0	111	N34 K35 D71	S32-N34 WeakPolarHBondContact CB-OD1 3.33Å; S32-N34 PolarHBondContact O-N 3.49Å; S32-N34 VanDerWaalsContact O-N 3.07Å; S32-N34 PolarHBondContact OG-OD1 3.3Å; S32-N34 VanDerWaalsContact OG-OD1 3.13Å; S32-K35 PolarHBondContact O-N 2.93Å; S32-D71 WeakPolarHBondContact CA-OD1 3.25Å; S32-D71 PolarHBondContact N-OD1 3.46Å
33	A	96.8	Very high	94	Very high	14 Å²	14	32.1 Å²	32.1	12%	0.116	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-56.7	-31.8	-171.4	0	0	0	0	0	114.1	T31 K35 L36 E70 N72 S133 L137	T31-A33 PolarHBondContact O-N 3.46Å; A33-K35 PolarHBondContact O-N 2.79Å; A33-K35 VanDerWaalsContact O-N 3.13Å; A33-L36 PolarHBondContact O-N 3.18Å; A33-E70 WeakPolarHBondContact CB-O 3.35Å; A33-E70 PolarHBondContact N-O 3.4Å; A33-N72 HydrophobicContact CB-CB 4.06Å; A33-S133 VanDerWaalsContact CB-CB 3.49Å; A33-S133 VanDerWaalsContact CB-OG 3.28Å; A33-S133 WeakPolarHBondContact CB-OG 3.25Å; A33-L137 HydrophobicContact CB-CD1 4.32Å
34	N	96.1	Very high	94.4	Very high	128 Å²	128	25.2 Å²	25.2	68%	0.684	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-68.9	-6.5	-179.8	67.9	-5.7	0	0	0	114.6	S32	S32-N34 WeakPolarHBondContact CB-OD1 3.33Å; S32-N34 PolarHBondContact O-N 3.49Å; S32-N34 VanDerWaalsContact O-N 3.07Å; S32-N34 PolarHBondContact OG-OD1 3.3Å; S32-N34 VanDerWaalsContact OG-OD1 3.13Å
35	K	95.8	Very high	94.7	Very high	92 Å²	92	24.9 Å²	24.9	40%	0.4	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-106.5	0.8	178.7	-71.6	173.7	-175.5	-178.4	0	113.5	L20 T31 S32 A33	L20-K35 HydrophobicContact CD1-CD 4.19Å; L20-K35 HydrophobicContact CD2-CB 3.85Å; L20-K35 HydrophobicContact CD2-CG 4.28Å; T31-K35 HydrophobicContact CG2-CB 3.85Å; S32-K35 PolarHBondContact O-N 2.93Å; A33-K35 PolarHBondContact O-N 2.79Å; A33-K35 VanDerWaalsContact O-N 3.13Å
36	L	97.6	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.			trans	-101.1	-13.1	-167.6	-72.7	171.1	0	0	0	114.9	F29 T31 A33 H38 I39 M40 N72 L137	F29-L36 HydrophobicContact CB-CD2 4.5Å; T31-L36 HydrophobicContact CG2-CD1 4.46Å; T31-L36 HydrophobicContact CG2-CD2 3.67Å; T31-L36 HydrophobicContact CG2-CG 3.83Å; A33-L36 PolarHBondContact O-N 3.18Å; L36-H38 PolarHBondContact O-N 2.91Å; L36-I39 HydrophobicContact CD2-CB 4.45Å; L36-I39 HydrophobicContact CD2-CD1 4.15Å; L36-I39 CarbonylContact O-C 3.51Å; L36-I39 WeakPolarHBondContact O-CA 3.12Å; L36-I39 WeakPolarHBondContact O-CB 3.42Å; L36-I39 PolarHBondContact O-N 3.38Å; L36-M40 HydrophobicContact CB-CE 3.91Å; L36-M40 HydrophobicContact CB-CG 4.39Å; L36-M40 HydrophobicContact CD1-CE 3.93Å; L36-M40 HydrophobicContact CG-CE 4.35Å; L36-M40 VanDerWaalsContact O-CG 3.29Å; L36-M40 WeakPolarHBondContact O-CG 3.4Å; L36-M40 PolarHBondContact O-N 3.4Å; L36-N72 HydrophobicContact CD1-CB 3.75Å; L36-N72 WeakPolarHBondContact CD1-O 3.35Å; L36-L137 HydrophobicContact CB-CD1 4.36Å; L36-L137 HydrophobicContact CB-CD2 3.83Å; L36-L137 HydrophobicContact CD1-CD1 4.36Å
37	D	98.5	Very high	96.5	Very high	53 Å²	53	20.2 Å²	20.2	28%	0.283	11%	0.111	S	C	.	.	H	α-helix	trans	-54.1	-52.2	-171.2	-174.9	76.8	0	0	0	113.5	H14 I39 M40 F41	H14-D37 VanDerWaalsContact CA-OD2 3.32Å; H14-D37 WeakPolarHBondContact CA-OD2 3.48Å; H14-D37 WeakPolarHBondContact CB-OD2 3.28Å; H14-D37 IonicContact CE1-OD2 3.54Å; H14-D37 IonicContact CG-OD2 3.46Å; H14-D37 IonicContact ND1-OD1 2.65Å; H14-D37 PolarHBondContact ND1-OD1 2.84Å; H14-D37 IonicContact ND1-OD2 3.76Å; H14-D37 PolarHBondContact ND1-OD2 2.95Å; D37-I39 VanDerWaalsContact C-N 3.26Å; D37-I39 PolarHBondContact O-N 2.82Å; D37-M40 WeakPolarHBondContact O-CB 3.36Å; D37-M40 PolarHBondContact O-N 3.21Å; D37-F41 PolarHBondContact O-N 3.37Å; D37-F41 VanDerWaalsContact O-N 3.14Å
38	H	98.2	Very high	97.2	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-29.1	176.9	81.6	-74.2	0	0	0	113.1	H14 P17 L36 R42 A96	H14-H38 WeakPolarHBondContact O-CB 3.37Å; P17-H38 VanDerWaalsContact CD-ND1 3.3Å; P17-H38 WeakPolarHBondContact CD-ND1 3.23Å; L36-H38 PolarHBondContact O-N 2.91Å; H38-R42 WeakPolarHBondContact O-CB 3.19Å; H38-R42 WeakPolarHBondContact O-CG 3.48Å; H38-R42 PolarHBondContact O-N 2.9Å; H38-A96 PolarHBondContact NE2-O 3.38Å; H38-A96 VanDerWaalsContact NE2-O 3.1Å
39	I	98.3	Very high	97.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-69.8	-45.5	176.9	-66.4	177.7	0	0	0	109.8	L22 F29 L36 D37 F41 R42 M43 V74 A96	L22-I39 HydrophobicContact CB-CD1 4.24Å; L22-I39 HydrophobicContact CD1-CD1 3.25Å; L22-I39 HydrophobicContact CG-CD1 4.33Å; F29-I39 HydrophobicContact CB-CG2 3.95Å; F29-I39 HydrophobicContact CD2-CG2 3.33Å; F29-I39 HydrophobicContact CE2-CG2 3.89Å; F29-I39 HydrophobicContact CG-CG2 3.69Å; L36-I39 HydrophobicContact CD2-CB 4.45Å; L36-I39 HydrophobicContact CD2-CD1 4.15Å; L36-I39 CarbonylContact O-C 3.51Å; L36-I39 WeakPolarHBondContact O-CA 3.12Å; L36-I39 WeakPolarHBondContact O-CB 3.42Å; L36-I39 PolarHBondContact O-N 3.38Å; D37-I39 VanDerWaalsContact C-N 3.26Å; D37-I39 PolarHBondContact O-N 2.82Å; I39-F41 PolarHBondContact O-N 3.32Å; I39-R42 PolarHBondContact O-N 3.05Å; I39-M43 HydrophobicContact CG2-CG 4.13Å; I39-M43 WeakPolarHBondContact O-CB 3.44Å; I39-M43 VanDerWaalsContact O-CG 3.28Å; I39-M43 WeakPolarHBondContact O-CG 3.4Å; I39-M43 PolarHBondContact O-N 3.15Å; I39-V74 HydrophobicContact CG2-CG1 4.1Å; I39-A96 HydrophobicContact CD1-CB 4.47Å; I39-A96 HydrophobicContact CG1-CB 4.16Å
40	M	98.7	Very high	97.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.5	-49.6	177.7	-66.5	-65.4	167.7	0	0	111	L36 D37 R42 M43 G44 V62 G73 V74 L137 A140 V141	L36-M40 HydrophobicContact CB-CE 3.91Å; L36-M40 HydrophobicContact CB-CG 4.39Å; L36-M40 HydrophobicContact CD1-CE 3.93Å; L36-M40 HydrophobicContact CG-CE 4.35Å; L36-M40 VanDerWaalsContact O-CG 3.29Å; L36-M40 WeakPolarHBondContact O-CG 3.4Å; L36-M40 PolarHBondContact O-N 3.4Å; D37-M40 WeakPolarHBondContact O-CB 3.36Å; D37-M40 PolarHBondContact O-N 3.21Å; M40-R42 PolarHBondContact O-N 3.35Å; M40-M43 PolarHBondContact O-N 2.89Å; M40-G44 PolarHBondContact O-N 2.94Å; M40-V62 HydrophobicContact CE-CG1 4.23Å; M40-V62 HydrophobicContact SD-CG1 4.45Å; M40-V62 HydrophobicContact SD-CG2 4.26Å; M40-G73 WeakPolarHBondContact CE-O 3.24Å; M40-V74 HydrophobicContact CE-CB 3.88Å; M40-V74 HydrophobicContact CE-CG1 4.15Å; M40-V74 HydrophobicContact SD-CB 3.62Å; M40-V74 HydrophobicContact SD-CG1 3.98Å; M40-V74 HydrophobicContact SD-CG2 4.18Å; M40-L137 WeakPolarHBondContact CB-O 3.4Å; M40-L137 HydrophobicContact CE-CB 4.05Å; M40-L137 HydrophobicContact CE-CD1 4.01Å; M40-L137 HydrophobicContact CE-CD2 4.33Å; M40-L137 HydrophobicContact CE-CG 4.34Å; M40-L137 HydrophobicContact CG-CB 3.82Å; M40-L137 HydrophobicContact CG-CD2 3.65Å; M40-L137 HydrophobicContact CG-CG 4.25Å; M40-L137 HydrophobicContact SD-CB 4.11Å; M40-A140 HydrophobicContact CB-CB 3.67Å; M40-V141 HydrophobicContact CB-CG2 3.87Å; M40-V141 HydrophobicContact CG-CG2 4.45Å; M40-V141 WeakPolarHBondContact O-CA 3.41Å; M40-V141 HydrophobicContact SD-CG2 3.96Å
41	F	98.8	Very high	97.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55	-50.3	174.7	173.9	-101.7	0	0	0	112.1	Q10 H14 D37 I39 M43 G44 L45 L103 A140 D143 G144 A147	Q10-F41 HydrophobicContact CB-CE2 3.61Å; Q10-F41 HydrophobicContact CB-CZ 3.82Å; H14-F41 HydrophobicContact CB-CB 3.88Å; H14-F41 HydrophobicContact CB-CD1 4.36Å; H14-F41 HydrophobicContact CB-CG 4.08Å; H14-F41 AromaticContact CD2-CD2 3.33Å; H14-F41 WeakPolarHBondContact CD2-CD2 3.19Å; H14-F41 AromaticContact CD2-CE2 3.99Å; H14-F41 AromaticContact CD2-CG 3.54Å; H14-F41 AromaticContact CG-CG 3.92Å; H14-F41 AromaticContact NE2-CD2 3.8Å; D37-F41 PolarHBondContact O-N 3.37Å; D37-F41 VanDerWaalsContact O-N 3.14Å; I39-F41 PolarHBondContact O-N 3.32Å; F41-M43 VanDerWaalsContact C-N 3.31Å; F41-M43 PolarHBondContact O-N 3.09Å; F41-G44 PolarHBondContact O-N 3.21Å; F41-G44 VanDerWaalsContact O-N 3.11Å; F41-L45 HydrophobicContact CD1-CD1 4.19Å; F41-L45 HydrophobicContact CE1-CD1 3.65Å; F41-L45 HydrophobicContact CE1-CG 4.31Å; F41-L45 HydrophobicContact CZ-CD1 4.09Å; F41-L45 HydrophobicContact CZ-CD2 4.37Å; F41-L45 HydrophobicContact CZ-CG 4.4Å; F41-L45 PolarHBondContact O-N 3.38Å; F41-L45 VanDerWaalsContact O-N 3.15Å; F41-L103 HydrophobicContact CE1-CD2 4.3Å; F41-A140 VanDerWaalsContact CA-O 3.24Å; F41-A140 WeakPolarHBondContact CA-O 3.47Å; F41-D143 HydrophobicContact CD2-CB 4.23Å; F41-G144 VanDerWaalsContact CD2-CA 3.44Å; F41-G144 VanDerWaalsContact CD2-N 3.35Å; F41-G144 VanDerWaalsContact CE2-CA 3.47Å; F41-G144 WeakPolarHBondContact O-CA 3.49Å; F41-A147 HydrophobicContact CE2-CB 4.08Å; F41-A147 HydrophobicContact CZ-CB 4.22Å
42	R	98.6	Very high	98.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.3	-28.1	-178.9	-66.5	178	-172	-169.6	-2.8	113.2	H38 I39 M40 L45 L46 L95 A96 T98 L103	H38-R42 WeakPolarHBondContact O-CB 3.19Å; H38-R42 WeakPolarHBondContact O-CG 3.48Å; H38-R42 PolarHBondContact O-N 2.9Å; I39-R42 PolarHBondContact O-N 3.05Å; M40-R42 PolarHBondContact O-N 3.35Å; R42-L45 HydrophobicContact CG-CD1 4.46Å; R42-L45 WeakPolarHBondContact O-CB 3.35Å; R42-L45 PolarHBondContact O-N 3.49Å; R42-L46 PolarHBondContact O-N 3.27Å; R42-L95 WeakPolarHBondContact CD-O 3.36Å; R42-L95 PolarHBondContact NH1-O 2.87Å; R42-A96 PolarHBondContact NH1-O 2.93Å; R42-T98 PolarHBondContact NH1-O 3.5Å; R42-T98 PolarHBondContact NH2-O 3.21Å; R42-L103 HydrophobicContact CG-CD1 4.14Å
43	M	98.8	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-72	-31.1	171.6	-70.8	-49.8	94.3	0	0	112.1	Y24 F29 I39 M40 F41 L45 L46 A47 V74 L76 A92 L95	Y24-M43 HydrophobicContact CE2-SD 4.43Å; F29-M43 HydrophobicContact CD2-CG 4.13Å; F29-M43 HydrophobicContact CD2-SD 4.04Å; F29-M43 HydrophobicContact CE2-CE 3.81Å; F29-M43 HydrophobicContact CE2-CG 4.25Å; F29-M43 HydrophobicContact CE2-SD 3.66Å; I39-M43 HydrophobicContact CG2-CG 4.13Å; I39-M43 WeakPolarHBondContact O-CB 3.44Å; I39-M43 VanDerWaalsContact O-CG 3.28Å; I39-M43 WeakPolarHBondContact O-CG 3.4Å; I39-M43 PolarHBondContact O-N 3.15Å; M40-M43 PolarHBondContact O-N 2.89Å; F41-M43 VanDerWaalsContact C-N 3.31Å; F41-M43 PolarHBondContact O-N 3.09Å; M43-L45 VanDerWaalsContact C-N 3.34Å; M43-L46 HydrophobicContact CE-CB 4.46Å; M43-L46 HydrophobicContact CE-CD2 4.26Å; M43-L46 PolarHBondContact O-N 3.33Å; M43-L46 HydrophobicContact SD-CD2 4.19Å; M43-A47 VanDerWaalsContact O-CB 3.26Å; M43-A47 WeakPolarHBondContact O-CB 3.27Å; M43-A47 PolarHBondContact O-N 3.43Å; M43-V74 HydrophobicContact CB-CG1 4.36Å; M43-V74 HydrophobicContact CB-CG2 4.18Å; M43-V74 HydrophobicContact CG-CG1 3.76Å; M43-V74 HydrophobicContact CG-CG2 4.37Å; M43-L76 HydrophobicContact CB-CD2 4.33Å; M43-L76 HydrophobicContact SD-CD1 4.28Å; M43-A92 HydrophobicContact CE-CB 4.12Å; M43-A92 HydrophobicContact SD-CB 3.86Å; M43-L95 HydrophobicContact CE-CB 4.4Å
44	G	98.8	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.3	-40.6	167.3	0	0	0	0	0	113	M40 F41 T48 V141	M40-G44 PolarHBondContact O-N 2.94Å; F41-G44 PolarHBondContact O-N 3.21Å; F41-G44 VanDerWaalsContact O-N 3.11Å; G44-T48 PolarHBondContact O-N 3.27Å; G44-T48 VanDerWaalsContact O-N 3.14Å; G44-T48 PolarHBondContact O-OG1 3.47Å; G44-V141 WeakPolarHBondContact CA-O 3.28Å
45	L	98.8	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-47.8	173	-60.6	172	0	0	0	111.4	V7 F41 R42 M43 T48 L49 L103 L107 G144 A147 L148	V7-L45 HydrophobicContact CG1-CD1 3.96Å; V7-L45 HydrophobicContact CG1-CD2 4.11Å; V7-L45 HydrophobicContact CG2-CD2 3.96Å; F41-L45 HydrophobicContact CD1-CD1 4.19Å; F41-L45 HydrophobicContact CE1-CD1 3.65Å; F41-L45 HydrophobicContact CE1-CG 4.31Å; F41-L45 HydrophobicContact CZ-CD1 4.09Å; F41-L45 HydrophobicContact CZ-CD2 4.37Å; F41-L45 HydrophobicContact CZ-CG 4.4Å; F41-L45 PolarHBondContact O-N 3.38Å; F41-L45 VanDerWaalsContact O-N 3.15Å; R42-L45 HydrophobicContact CG-CD1 4.46Å; R42-L45 WeakPolarHBondContact O-CB 3.35Å; R42-L45 PolarHBondContact O-N 3.49Å; M43-L45 VanDerWaalsContact C-N 3.34Å; L45-T48 WeakPolarHBondContact O-CB 3.4Å; L45-T48 PolarHBondContact O-N 3.11Å; L45-L49 PolarHBondContact O-N 2.74Å; L45-L103 HydrophobicContact CD1-CD2 4.2Å; L45-L107 HydrophobicContact CB-CD2 4.21Å; L45-L107 HydrophobicContact CD1-CD1 4.16Å; L45-G144 WeakPolarHBondContact CD2-O 3.21Å; L45-A147 HydrophobicContact CD2-CB 4.3Å; L45-L148 HydrophobicContact CB-CD2 4.49Å; L45-L148 HydrophobicContact CD2-CB 3.81Å; L45-L148 HydrophobicContact CD2-CD2 4.4Å
46	L	98.8	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66	-40.7	-179.2	-174.3	61	0	0	0	112.3	R42 M43 T48 L49 R50 L76 W88 A92 L95	R42-L46 PolarHBondContact O-N 3.27Å; M43-L46 HydrophobicContact CE-CB 4.46Å; M43-L46 HydrophobicContact CE-CD2 4.26Å; M43-L46 PolarHBondContact O-N 3.33Å; M43-L46 HydrophobicContact SD-CD2 4.19Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 3.11Å; L46-L49 PolarHBondContact O-N 2.99Å; L46-R50 WeakPolarHBondContact O-CB 3.36Å; L46-R50 PolarHBondContact O-N 3.35Å; L46-L76 HydrophobicContact CB-CD1 4.48Å; L46-L76 HydrophobicContact CD2-CD1 3.99Å; L46-L76 HydrophobicContact CG-CD1 4.2Å; L46-W88 HydrophobicContact CD1-CE3 3.7Å; L46-W88 HydrophobicContact CD1-CZ3 3.61Å; L46-W88 HydrophobicContact CG-CE3 4.28Å; L46-W88 HydrophobicContact CG-CZ3 4.4Å; L46-A92 VanDerWaalsContact CD2-CA 3.45Å; L46-A92 HydrophobicContact CD2-CB 3.54Å; L46-L95 HydrophobicContact CB-CD1 3.84Å; L46-L95 HydrophobicContact CD1-CD1 3.83Å; L46-L95 HydrophobicContact CD2-CD1 4.39Å; L46-L95 HydrophobicContact CG-CD1 4.23Å
47	A	98.9	Very high	98.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60	-39.6	175.4	0	0	0	0	0	111.5	M43 R50 S51 I58 V60 L76 V124	M43-A47 VanDerWaalsContact O-CB 3.26Å; M43-A47 WeakPolarHBondContact O-CB 3.27Å; M43-A47 PolarHBondContact O-N 3.43Å; A47-R50 PolarHBondContact O-N 3.19Å; A47-S51 WeakPolarHBondContact O-CB 3.43Å; A47-S51 PolarHBondContact O-N 3.47Å; A47-I58 HydrophobicContact CB-CG2 4.03Å; A47-V60 HydrophobicContact CB-CG2 3.79Å; A47-L76 HydrophobicContact CB-CD2 4.16Å; A47-V124 HydrophobicContact CB-CG1 3.99Å; A47-V124 HydrophobicContact CB-CG2 4.13Å
48	T	98.9	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-47.2	173.5	-60.1	0	0	0	0	111.6	G44 L45 L46 R50 S51 K52 A122 V145 L148	G44-T48 PolarHBondContact O-N 3.27Å; G44-T48 VanDerWaalsContact O-N 3.14Å; G44-T48 PolarHBondContact O-OG1 3.47Å; L45-T48 WeakPolarHBondContact O-CB 3.4Å; L45-T48 PolarHBondContact O-N 3.11Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 3.11Å; T48-R50 VanDerWaalsContact C-N 3.34Å; T48-R50 PolarHBondContact O-N 2.98Å; T48-S51 PolarHBondContact O-N 2.86Å; T48-K52 WeakPolarHBondContact O-CG 3.2Å; T48-K52 PolarHBondContact O-N 3.31Å; T48-K52 VanDerWaalsContact O-N 3.09Å; T48-A122 HydrophobicContact CG2-CB 3.7Å; T48-V145 WeakPolarHBondContact OG1-CA 3.47Å; T48-L148 HydrophobicContact CG2-CB 3.97Å; T48-L148 HydrophobicContact CG2-CD2 3.99Å; T48-L148 HydrophobicContact CG2-CG 4.05Å
49	L	98.8	Very high	98.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-42.6	175.6	-70.9	-174.4	0	0	0	112.2	L45 L46 S51 K52 K53 W88 L107 I110 I111 I116 M118 L148	L45-L49 PolarHBondContact O-N 2.74Å; L46-L49 PolarHBondContact O-N 2.99Å; L49-S51 VanDerWaalsContact C-N 3.35Å; L49-S51 PolarHBondContact O-N 3.1Å; L49-K52 PolarHBondContact O-N 3.22Å; L49-K53 WeakPolarHBondContact O-CB 3.47Å; L49-K53 PolarHBondContact O-N 2.95Å; L49-W88 HydrophobicContact CB-CH2 4.5Å; L49-W88 HydrophobicContact CB-CZ3 4.38Å; L49-L107 HydrophobicContact CD1-CD2 3.81Å; L49-I110 HydrophobicContact CD1-CB 4.44Å; L49-I110 HydrophobicContact CD1-CG2 4.06Å; L49-I111 HydrophobicContact CD1-CG1 4.2Å; L49-I111 HydrophobicContact CD2-CD1 3.92Å; L49-I111 HydrophobicContact CD2-CG1 3.63Å; L49-I116 HydrophobicContact CB-CD1 3.91Å; L49-I116 HydrophobicContact CD1-CD1 4.5Å; L49-I116 HydrophobicContact CD2-CD1 4.24Å; L49-I116 HydrophobicContact CG-CD1 4.45Å; L49-M118 HydrophobicContact CD2-CE 4.26Å; L49-M118 HydrophobicContact CD2-SD 3.8Å; L49-L148 HydrophobicContact CD2-CD2 3.64Å; L49-L148 HydrophobicContact CG-CD2 3.74Å
50	R	98.8	Very high	98.7	Very high	30 Å²	30	16.7 Å²	16.7	11%	0.113	8%	0.08	C	C	.	.	H	α-helix	trans	-61.6	-44.3	178	-175.2	60.8	176	171.1	1.1	111.1	L46 A47 T48 K52 K53 T54 I58 D78 L84 W88	L46-R50 WeakPolarHBondContact O-CB 3.36Å; L46-R50 PolarHBondContact O-N 3.35Å; A47-R50 PolarHBondContact O-N 3.19Å; T48-R50 VanDerWaalsContact C-N 3.34Å; T48-R50 PolarHBondContact O-N 2.98Å; R50-K52 PolarHBondContact O-N 3.31Å; R50-K53 WeakPolarHBondContact O-CB 3.48Å; R50-K53 PolarHBondContact O-N 2.79Å; R50-T54 HydrophobicContact CG-CG2 4.44Å; R50-T54 WeakPolarHBondContact O-CG2 3.3Å; R50-T54 PolarHBondContact O-N 3.11Å; R50-T54 PolarHBondContact O-OG1 3.25Å; R50-I58 HydrophobicContact CB-CD1 4.46Å; R50-I58 HydrophobicContact CB-CG1 4.13Å; R50-I58 HydrophobicContact CG-CD1 3.66Å; R50-I58 HydrophobicContact CG-CG1 3.88Å; R50-D78 IonicContact CZ-OD1 3.64Å; R50-D78 IonicContact CZ-OD2 3.85Å; R50-D78 IonicContact NE-OD1 2.75Å; R50-D78 PolarHBondContact NE-OD1 3.28Å; R50-D78 IonicContact NE-OD2 2.92Å; R50-D78 VanDerWaalsContact NH2-CG 3.3Å; R50-D78 IonicContact NH2-OD1 2.58Å; R50-D78 PolarHBondContact NH2-OD1 3.45Å; R50-D78 IonicContact NH2-OD2 3.75Å; R50-D78 PolarHBondContact NH2-OD2 3.39Å; R50-L84 HydrophobicContact CG-CD1 4.46Å; R50-W88 HydrophobicContact CB-CE3 4.07Å; R50-W88 HydrophobicContact CB-CH2 4.23Å; R50-W88 HydrophobicContact CB-CZ3 3.67Å; R50-W88 HydrophobicContact CG-CE3 4.34Å; R50-W88 HydrophobicContact CG-CZ3 4.31Å; R50-W88 VanDerWaalsContact NH1-NE1 3.13Å
51	S	98.8	Very high	98.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-43.3	177.4	-179.3	0	0	0	0	112.2	A47 T48 L49 K53 T54 K55 A56 A122 N123	A47-S51 WeakPolarHBondContact O-CB 3.43Å; A47-S51 PolarHBondContact O-N 3.47Å; T48-S51 PolarHBondContact O-N 2.86Å; L49-S51 VanDerWaalsContact C-N 3.35Å; L49-S51 PolarHBondContact O-N 3.1Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 3.24Å; S51-T54 PolarHBondContact O-N 2.79Å; S51-T54 PolarHBondContact O-OG1 3.06Å; S51-K55 WeakPolarHBondContact O-CA 3.28Å; S51-K55 PolarHBondContact O-N 2.74Å; S51-A56 WeakPolarHBondContact CA-O 3.45Å; S51-A56 WeakPolarHBondContact CB-O 3.29Å; S51-A56 PolarHBondContact O-N 3.14Å; S51-A56 PolarHBondContact OG-O 3.03Å; S51-A122 WeakPolarHBondContact OG-CA 3.49Å; S51-N123 PolarHBondContact OG-N 3.45Å; S51-N123 PolarHBondContact OG-O 2.9Å
52	K	98.6	Very high	98.7	Very high	13 Å²	13	16.7 Å²	16.7	6%	0.057	8%	0.08	C	C	.	.	H	α-helix	trans	-61.2	-41.5	173.9	-66.4	179.6	-178.1	-77.9	0	112.1	T48 L49 R50 I116 M118 Q120 A122	T48-K52 WeakPolarHBondContact O-CG 3.2Å; T48-K52 PolarHBondContact O-N 3.31Å; T48-K52 VanDerWaalsContact O-N 3.09Å; L49-K52 PolarHBondContact O-N 3.22Å; R50-K52 PolarHBondContact O-N 3.31Å; K52-I116 HydrophobicContact CB-CG2 3.66Å; K52-I116 HydrophobicContact CD-CG2 4.49Å; K52-M118 HydrophobicContact CD-CE 4.28Å; K52-M118 HydrophobicContact CD-SD 3.94Å; K52-M118 PolarHBondContact NZ-O 2.76Å; K52-Q120 HydrophobicContact CB-CB 4.23Å; K52-Q120 HydrophobicContact CG-CB 4.4Å; K52-Q120 PolarHBondContact NZ-O 3.35Å; K52-A122 HydrophobicContact CG-CB 3.8Å
53	K	98.5	Very high	98.7	Very high	84 Å²	84	16.7 Å²	16.7	37%	0.365	8%	0.08	S	C	.	.	H	α-helix	trans	-65.5	-45.8	179.5	175.7	60.4	176.2	-178	0	112.2	L49 R50 S51 W88 E114 I116	L49-K53 WeakPolarHBondContact O-CB 3.47Å; L49-K53 PolarHBondContact O-N 2.95Å; R50-K53 WeakPolarHBondContact O-CB 3.48Å; R50-K53 PolarHBondContact O-N 2.79Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 3.24Å; K53-W88 HydrophobicContact CB-CH2 4.17Å; K53-W88 HydrophobicContact CB-CZ2 4.12Å; K53-W88 HydrophobicContact CG-CH2 4.48Å; K53-W88 HydrophobicContact CG-CZ2 3.92Å; K53-E114 WeakPolarHBondContact CD-O 3.11Å; K53-E114 WeakPolarHBondContact CE-O 3.32Å; K53-E114 PolarHBondContact NZ-O 2.87Å; K53-I116 HydrophobicContact CB-CG1 4.3Å; K53-I116 HydrophobicContact CD-CG1 4.49Å
54	T	98.3	Very high	98.6	Very high	42 Å²	42	16.7 Å²	16.7	26%	0.258	8%	0.08	S	C	.	.	H	α-helix	trans	-85.3	-14.7	-176.3	58.4	0	0	0	0	113	R50 S51 A56 P79	R50-T54 HydrophobicContact CG-CG2 4.44Å; R50-T54 WeakPolarHBondContact O-CG2 3.3Å; R50-T54 PolarHBondContact O-N 3.11Å; R50-T54 PolarHBondContact O-OG1 3.25Å; S51-T54 PolarHBondContact O-N 2.79Å; S51-T54 PolarHBondContact O-OG1 3.06Å; T54-A56 PolarHBondContact O-N 2.98Å; T54-P79 HydrophobicContact CG2-CG 4.11Å
55	K	98.3	Very high	98.5	Very high	154 Å²	154	16.7 Å²	16.7	67%	0.67	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	37.5	-172.7	-53.9	177.4	-179.2	179.6	0	111.8	S51	S51-K55 WeakPolarHBondContact O-CA 3.28Å; S51-K55 PolarHBondContact O-N 2.74Å
56	A	98.5	Very high	98.2	Very high	19 Å²	19	18.4 Å²	18.4	16%	0.157	9%	0.087	C	C	.	.	S	Bend	trans	-144	160.9	-173	0	0	0	0	0	110.8	S51 T54 P79 N171	S51-A56 WeakPolarHBondContact CA-O 3.45Å; S51-A56 WeakPolarHBondContact CB-O 3.29Å; S51-A56 PolarHBondContact O-N 3.14Å; S51-A56 PolarHBondContact OG-O 3.03Å; T54-A56 PolarHBondContact O-N 2.98Å; A56-P79 HydrophobicContact CB-CB 3.73Å; A56-P79 HydrophobicContact CB-CG 3.64Å; A56-N171 WeakPolarHBondContact CB-OD1 3.04Å
57	T	98.8	Very high	98	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.043	9%	0.093	C	C	.	.			trans	-68.1	134.1	173.5	-62.9	0	0	0	0	110	N123 Y125 Q170 N171	T57-N123 VanDerWaalsContact CA-O 3.3Å; T57-N123 WeakPolarHBondContact CA-O 3.35Å; T57-Y125 HydrophobicContact CG2-CD1 3.56Å; T57-Y125 HydrophobicContact CG2-CD2 3.77Å; T57-Y125 HydrophobicContact CG2-CE1 3.77Å; T57-Y125 HydrophobicContact CG2-CE2 3.99Å; T57-Y125 HydrophobicContact CG2-CG 3.59Å; T57-Q170 HydrophobicContact CG2-CG 4.32Å; T57-Q170 WeakPolarHBondContact OG1-CG 3.44Å; T57-N171 WeakPolarHBondContact CB-OD1 3.4Å; T57-N171 PolarHBondContact N-OD1 3.39Å; T57-N171 PolarHBondContact O-ND2 3.09Å
58	I	98.9	Very high	97.8	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.5	175.8	-63.3	-59.1	0	0	0	109.3	A47 R50 I77 P79 N123 V124 Y125	A47-I58 HydrophobicContact CB-CG2 4.03Å; R50-I58 HydrophobicContact CB-CD1 4.46Å; R50-I58 HydrophobicContact CB-CG1 4.13Å; R50-I58 HydrophobicContact CG-CD1 3.66Å; R50-I58 HydrophobicContact CG-CG1 3.88Å; I58-I77 WeakPolarHBondContact CG2-O 3.33Å; I58-P79 HydrophobicContact CD1-CG 3.95Å; I58-N123 PolarHBondContact N-O 2.7Å; I58-V124 CarbonylContact O-C 3.57Å; I58-V124 VanDerWaalsContact O-CA 3.26Å; I58-V124 WeakPolarHBondContact O-CA 3.5Å; I58-Y125 PolarHBondContact O-N 2.9Å
59	G	98.8	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	151.7	175.3	0	0	0	0	0	113	L76 I77 Y125	G59-L76 WeakPolarHBondContact O-CA 3.22Å; G59-I77 PolarHBondContact N-O 3.46Å; G59-I77 PolarHBondContact O-N 2.66Å; G59-Y125 CarbonylContact C-O 3.59Å; G59-Y125 WeakPolarHBondContact CA-O 3.49Å
60	V	98.9	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.3	168.4	-172.1	0	0	0	0	108.1	A47 V74 K75 L76 V124 Y125 V126 G127 V141	A47-V60 HydrophobicContact CB-CG2 3.79Å; V60-V74 HydrophobicContact CG1-CG2 3.39Å; V60-K75 WeakPolarHBondContact CA-O 3.21Å; V60-L76 HydrophobicContact CB-CD2 4.36Å; V60-L76 HydrophobicContact CG1-CD2 4.11Å; V60-L76 HydrophobicContact CG2-CD2 3.71Å; V60-V124 HydrophobicContact CG2-CG1 3.66Å; V60-Y125 PolarHBondContact N-O 3.04Å; V60-V126 HydrophobicContact CB-CG2 4.37Å; V60-V126 WeakPolarHBondContact O-CA 3.31Å; V60-G127 PolarHBondContact O-N 3.16Å; V60-V141 HydrophobicContact CB-CG1 4.04Å; V60-V141 HydrophobicContact CG1-CG1 3.78Å; V60-V141 HydrophobicContact CG1-CG2 4.05Å; V60-V141 HydrophobicContact CG2-CG1 4.02Å
61	M	98.8	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.2	176.4	-175.2	61.2	-167.2	0	0	110	T63 V74 K75 I77 D129 V158 T160 M163	M61-T63 HydrophobicContact CE-CG2 4.22Å; M61-T63 HydrophobicContact CG-CG2 3.81Å; M61-V74 WeakPolarHBondContact O-CA 3.49Å; M61-K75 HydrophobicContact CB-CB 4.43Å; M61-K75 PolarHBondContact N-O 2.69Å; M61-K75 PolarHBondContact O-N 3.26Å; M61-I77 HydrophobicContact CB-CD1 4.23Å; M61-D129 HydrophobicContact CE-CB 4.47Å; M61-V158 VanDerWaalsContact CE-O 3.32Å; M61-V158 WeakPolarHBondContact CE-O 3.34Å; M61-V158 HydrophobicContact SD-CG2 4.36Å; M61-T160 WeakPolarHBondContact CG-OG1 3.37Å; M61-M163 HydrophobicContact SD-CB 4.08Å; M61-M163 HydrophobicContact SD-CG 3.8Å
62	V	98.9	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	103.7	177	-178.3	0	0	0	0	109.3	M40 G73 G127 K128 D129 L137 V141	M40-V62 HydrophobicContact CE-CG1 4.23Å; M40-V62 HydrophobicContact SD-CG1 4.45Å; M40-V62 HydrophobicContact SD-CG2 4.26Å; V62-G73 CarbonylContact C-O 3.49Å; V62-G73 WeakPolarHBondContact CA-O 3.28Å; V62-G127 PolarHBondContact N-O 3.04Å; V62-K128 HydrophobicContact CB-CB 3.99Å; V62-K128 WeakPolarHBondContact O-CA 3.36Å; V62-D129 PolarHBondContact O-N 2.96Å; V62-D129 VanDerWaalsContact O-N 3.08Å; V62-L137 HydrophobicContact CG1-CB 3.97Å; V62-V141 HydrophobicContact CG2-CG2 4.2Å
63	T	98.6	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.			trans	-168.7	155.7	179.8	-175.8	0	0	0	0	111.5	M61 S65 N72 G73 K75 D129 D280	M61-T63 HydrophobicContact CE-CG2 4.22Å; M61-T63 HydrophobicContact CG-CG2 3.81Å; T63-S65 PolarHBondContact OG1-N 2.95Å; T63-N72 WeakPolarHBondContact CA-OD1 3.4Å; T63-N72 PolarHBondContact N-OD1 3.36Å; T63-G73 PolarHBondContact N-O 3.41Å; T63-G73 CarbonylContact O-C 3.39Å; T63-G73 VanDerWaalsContact O-C 3.24Å; T63-G73 VanDerWaalsContact O-CA 3.23Å; T63-G73 WeakPolarHBondContact O-CA 3.49Å; T63-G73 PolarHBondContact O-N 3.25Å; T63-K75 HydrophobicContact CG2-CD 4.46Å; T63-D129 WeakPolarHBondContact CA-OD2 3.29Å; T63-D129 VanDerWaalsContact CB-OD2 3.26Å; T63-D129 WeakPolarHBondContact CB-OD2 3.26Å; T63-D129 PolarHBondContact OG1-OD2 2.97Å; T63-D280 HydrophobicContact CG2-CB 4.2Å; T63-D280 WeakPolarHBondContact CG2-OD2 3.37Å; T63-D280 WeakPolarHBondContact OG1-CB 3.38Å
64	A	96.7	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.			trans	-113.8	18.7	161.8	0	0	0	0	0	114.4	R30 H66 N67 D71	R30-A64 PolarHBondContact NH1-O 3.14Å; A64-H66 PolarHBondContact O-N 3.49Å; A64-N67 HydrophobicContact CB-CB 3.67Å; A64-N67 VanDerWaalsContact O-CB 3.3Å; A64-N67 WeakPolarHBondContact O-CB 3.45Å; A64-N67 PolarHBondContact O-N 3.41Å; A64-N67 PolarHBondContact O-OD1 2.82Å; A64-D71 HydrophobicContact CB-CB 4.24Å
65	S	95.5	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-125.8	172.5	163.5	0	0	0	0	111.1	T63 N67 R131 N247 D278 D280	T63-S65 PolarHBondContact OG1-N 2.95Å; S65-N67 VanDerWaalsContact C-N 3.25Å; S65-N67 PolarHBondContact O-N 2.98Å; S65-R131 PolarHBondContact O-NH2 2.83Å; S65-N247 PolarHBondContact O-ND2 3.26Å; S65-D278 PolarHBondContact OG-OD2 3.49Å; S65-D280 WeakPolarHBondContact CA-OD1 3.38Å; S65-D280 VanDerWaalsContact CB-CG 3.49Å; S65-D280 WeakPolarHBondContact CB-OD1 3.35Å; S65-D280 WeakPolarHBondContact CB-OD2 3.2Å; S65-D280 PolarHBondContact OG-OD1 2.76Å
66	H	94.4	Very high	97.2	Very high	35 Å²	35	16.7 Å²	16.7	16%	0.162	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-9.3	178.9	68.4	-75.9	0	0	0	116.2	A64 N247 D253 R283	A64-H66 PolarHBondContact O-N 3.49Å; H66-N247 VanDerWaalsContact C-ND2 3.26Å; H66-N247 WeakPolarHBondContact CA-ND2 3.37Å; H66-N247 PolarHBondContact O-ND2 3.45Å; H66-D253 HydrophobicContact CB-CB 3.8Å; H66-D253 IonicContact CD2-OD1 3.05Å; H66-R283 PolarHBondContact ND1-NH1 2.83Å; H66-R283 PolarHBondContact ND1-NH2 2.8Å
67	N	93.7	Very high	97.2	Very high	22 Å²	22	15.8 Å²	15.8	12%	0.118	8%	0.081	C	C	.	.	S	Bend	trans	-61	158	-179.5	-79.6	78	0	0	0	112.5	R30 A64 S65 D71 R131 N247	R30-N67 PolarHBondContact NH1-OD1 3.29Å; A64-N67 HydrophobicContact CB-CB 3.67Å; A64-N67 VanDerWaalsContact O-CB 3.3Å; A64-N67 WeakPolarHBondContact O-CB 3.45Å; A64-N67 PolarHBondContact O-N 3.41Å; A64-N67 PolarHBondContact O-OD1 2.82Å; S65-N67 VanDerWaalsContact C-N 3.25Å; S65-N67 PolarHBondContact O-N 2.98Å; N67-D71 HydrophobicContact CB-CB 3.95Å; N67-D71 PolarHBondContact ND2-OD2 2.81Å; N67-R131 PolarHBondContact O-NH2 2.94Å; N67-N247 PolarHBondContact O-ND2 2.65Å; N67-N247 VanDerWaalsContact O-ND2 3.07Å
68	P	93.9	Very high	97.2	Very high	63 Å²	63	15.5 Å²	15.5	41%	0.409	8%	0.08	S	C	.	.			trans	-54.2	148.8	170.9	-25.1	35	0	0	0	112.8	E70 D71 R131	P68-E70 HydrophobicContact CB-CG 4.3Å; P68-E70 PolarHBondContact O-N 2.97Å; P68-E70 VanDerWaalsContact O-N 3.11Å; P68-D71 WeakPolarHBondContact O-CB 3.19Å; P68-D71 PolarHBondContact O-N 2.79Å; P68-R131 PolarHBondContact O-NH1 3.13Å
69	E	94.3	Very high	97.2	Very high	68 Å²	68	16.1 Å²	16.1	32%	0.318	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.3	-174.4	-170.2	179.1	-116.1	0	0	115.2	D71 R131 K245 L246	E69-D71 PolarHBondContact O-N 2.58Å; E69-R131 PolarHBondContact O-NH1 3.49Å; E69-K245 HydrophobicContact CB-CD 4.33Å; E69-K245 HydrophobicContact CB-CG 4.04Å; E69-K245 VanDerWaalsContact OE2-CE 3.26Å; E69-K245 WeakPolarHBondContact OE2-CE 3.48Å; E69-L246 HydrophobicContact CB-CB 4.24Å; E69-L246 HydrophobicContact CG-CB 4.28Å
70	E	96.6	Very high	97.1	Very high	101 Å²	101	20.7 Å²	20.7	47%	0.472	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.8	179.5	57.4	-93.5	-147.7	0	0	114.5	A33 P68 K245	A33-E70 WeakPolarHBondContact CB-O 3.35Å; A33-E70 PolarHBondContact N-O 3.4Å; P68-E70 HydrophobicContact CB-CG 4.3Å; P68-E70 PolarHBondContact O-N 2.97Å; P68-E70 VanDerWaalsContact O-N 3.11Å; E70-K245 IonicContact OE2-NZ 3.74Å; E70-K245 PolarHBondContact OE2-NZ 3.17Å
71	D	96.4	Very high	97	Very high	30 Å²	30	20.7 Å²	20.7	16%	0.16	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	163.8	171.9	-70.3	-19.4	0	0	0	110.9	T31 S32 A64 N67 P68 E69 R131	T31-D71 CarbonylContact O-C 3.56Å; T31-D71 VanDerWaalsContact O-CA 3.31Å; T31-D71 WeakPolarHBondContact O-CA 3.38Å; T31-D71 WeakPolarHBondContact O-CB 3.46Å; S32-D71 WeakPolarHBondContact CA-OD1 3.25Å; S32-D71 PolarHBondContact N-OD1 3.46Å; A64-D71 HydrophobicContact CB-CB 4.24Å; N67-D71 HydrophobicContact CB-CB 3.95Å; N67-D71 PolarHBondContact ND2-OD2 2.81Å; P68-D71 WeakPolarHBondContact O-CB 3.19Å; P68-D71 PolarHBondContact O-N 2.79Å; E69-D71 PolarHBondContact O-N 2.58Å; D71-R131 WeakPolarHBondContact O-CD 3.34Å; D71-R131 PolarHBondContact O-NH1 3.15Å
72	N	98.3	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	-175.2	160.7	-148.6	-33.5	0	0	0	108.9	R30 T31 A33 L36 T63 S133 S134 L137	R30-N72 WeakPolarHBondContact CA-O 3.26Å; T31-N72 PolarHBondContact N-O 3Å; T31-N72 PolarHBondContact O-N 3.05Å; T31-N72 VanDerWaalsContact O-O 3.11Å; A33-N72 HydrophobicContact CB-CB 4.06Å; L36-N72 HydrophobicContact CD1-CB 3.75Å; L36-N72 WeakPolarHBondContact CD1-O 3.35Å; T63-N72 WeakPolarHBondContact CA-OD1 3.4Å; T63-N72 PolarHBondContact N-OD1 3.36Å; N72-S133 PolarHBondContact ND2-OG 2.88Å; N72-S134 PolarHBondContact ND2-N 2.98Å; N72-S134 PolarHBondContact ND2-OG 3.03Å; N72-L137 HydrophobicContact CB-CD1 3.59Å
73	G	97.8	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	175.6	-178.3	0	0	0	0	0	113.1	F29 M40 V62 T63	F29-G73 CarbonylContact O-C 3.57Å; F29-G73 WeakPolarHBondContact O-CA 3.3Å; M40-G73 WeakPolarHBondContact CE-O 3.24Å; V62-G73 CarbonylContact C-O 3.49Å; V62-G73 WeakPolarHBondContact CA-O 3.28Å; T63-G73 PolarHBondContact N-O 3.41Å; T63-G73 CarbonylContact O-C 3.39Å; T63-G73 VanDerWaalsContact O-C 3.24Å; T63-G73 VanDerWaalsContact O-CA 3.23Å; T63-G73 WeakPolarHBondContact O-CA 3.49Å; T63-G73 PolarHBondContact O-N 3.25Å
74	V	98.5	Very high	96.4	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	127.7	178.8	56.1	0	0	0	0	110.8	G28 F29 I39 M40 M43 V60 M61	G28-V74 WeakPolarHBondContact CA-O 3.42Å; F29-V74 HydrophobicContact CB-CG1 4.09Å; F29-V74 HydrophobicContact CD2-CG1 4.19Å; F29-V74 PolarHBondContact N-O 3.27Å; F29-V74 PolarHBondContact O-N 2.8Å; I39-V74 HydrophobicContact CG2-CG1 4.1Å; M40-V74 HydrophobicContact CE-CB 3.88Å; M40-V74 HydrophobicContact CE-CG1 4.15Å; M40-V74 HydrophobicContact SD-CB 3.62Å; M40-V74 HydrophobicContact SD-CG1 3.98Å; M40-V74 HydrophobicContact SD-CG2 4.18Å; M43-V74 HydrophobicContact CB-CG1 4.36Å; M43-V74 HydrophobicContact CB-CG2 4.18Å; M43-V74 HydrophobicContact CG-CG1 3.76Å; M43-V74 HydrophobicContact CG-CG2 4.37Å; V60-V74 HydrophobicContact CG1-CG2 3.39Å; M61-V74 WeakPolarHBondContact O-CA 3.49Å
75	K	96.9	Very high	96.2	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.017	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.2	172.9	-58.1	171.5	-170.9	168.9	0	108.7	A27 R30 V60 M61 T63 M83 D280 D282	A27-K75 WeakPolarHBondContact O-CG 3.31Å; R30-K75 VanDerWaalsContact NH2-CE 3.25Å; V60-K75 WeakPolarHBondContact CA-O 3.21Å; M61-K75 HydrophobicContact CB-CB 4.43Å; M61-K75 PolarHBondContact N-O 2.69Å; M61-K75 PolarHBondContact O-N 3.26Å; T63-K75 HydrophobicContact CG2-CD 4.46Å; K75-M83 HydrophobicContact CD-CE 4.4Å; K75-M83 HydrophobicContact CG-CE 4.43Å; K75-D280 IonicContact NZ-OD2 3.01Å; K75-D280 PolarHBondContact NZ-OD2 2.89Å; K75-D282 IonicContact NZ-OD2 2.83Å; K75-D282 PolarHBondContact NZ-OD2 3.22Å
76	L	98.5	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.7	167.3	-58.3	-172.3	0	0	0	110.4	Y24 M43 L46 A47 G59 V60 L84	Y24-L76 PolarHBondContact OH-N 2.89Å; M43-L76 HydrophobicContact CB-CD2 4.33Å; M43-L76 HydrophobicContact SD-CD1 4.28Å; L46-L76 HydrophobicContact CB-CD1 4.48Å; L46-L76 HydrophobicContact CD2-CD1 3.99Å; L46-L76 HydrophobicContact CG-CD1 4.2Å; A47-L76 HydrophobicContact CB-CD2 4.16Å; G59-L76 WeakPolarHBondContact O-CA 3.22Å; V60-L76 HydrophobicContact CB-CD2 4.36Å; V60-L76 HydrophobicContact CG1-CD2 4.11Å; V60-L76 HydrophobicContact CG2-CD2 3.71Å; L76-L84 HydrophobicContact CB-CB 4.05Å; L76-L84 HydrophobicContact CB-CD1 4.24Å; L76-L84 HydrophobicContact CB-CD2 4.3Å; L76-L84 HydrophobicContact CB-CG 4.43Å; L76-L84 HydrophobicContact CD1-CD1 4.38Å; L76-L84 HydrophobicContact CD1-CD2 4.09Å; L76-L84 PolarHBondContact O-N 3.15Å; L76-L84 VanDerWaalsContact O-N 3.08Å
77	I	98.6	Very high	96	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.1	-175	-52	168.5	0	0	0	108.4	I58 G59 M61 E82 M163 H164 V167	I58-I77 WeakPolarHBondContact CG2-O 3.33Å; G59-I77 PolarHBondContact N-O 3.46Å; G59-I77 PolarHBondContact O-N 2.66Å; M61-I77 HydrophobicContact CB-CD1 4.23Å; I77-E82 CarbonylContact C-O 3.6Å; I77-E82 WeakPolarHBondContact CA-O 3.37Å; I77-M163 HydrophobicContact CD1-CB 3.86Å; I77-M163 HydrophobicContact CD1-CE 4.29Å; I77-H164 WeakPolarHBondContact CD1-CD2 3.28Å; I77-V167 HydrophobicContact CG2-CB 4.29Å; I77-V167 HydrophobicContact CG2-CG1 4.22Å; I77-V167 HydrophobicContact CG2-CG2 4.31Å
78	D	98.2	Very high	96.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.176	C	C	.	.			trans	-81.8	171.6	-179.7	-99.7	-19.5	0	0	0	111.9	R50 M80 G81 E82 T85 V167	R50-D78 IonicContact CZ-OD1 3.64Å; R50-D78 IonicContact CZ-OD2 3.85Å; R50-D78 IonicContact NE-OD1 2.75Å; R50-D78 PolarHBondContact NE-OD1 3.28Å; R50-D78 IonicContact NE-OD2 2.92Å; R50-D78 VanDerWaalsContact NH2-CG 3.3Å; R50-D78 IonicContact NH2-OD1 2.58Å; R50-D78 PolarHBondContact NH2-OD1 3.45Å; R50-D78 IonicContact NH2-OD2 3.75Å; R50-D78 PolarHBondContact NH2-OD2 3.39Å; D78-M80 PolarHBondContact O-N 2.89Å; D78-G81 PolarHBondContact O-N 2.89Å; D78-E82 HydrophobicContact CB-CG 3.72Å; D78-E82 WeakPolarHBondContact CB-OE1 3.34Å; D78-E82 PolarHBondContact N-O 2.57Å; D78-T85 PolarHBondContact OD2-N 2.89Å; D78-V167 WeakPolarHBondContact O-CG1 3.3Å
79	P	98.6	Very high	96.3	Very high	14 Å²	14	29.9 Å²	29.9	9%	0.091	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.2	-160.7	-32.1	38.9	0	0	0	117.2	T54 A56 I58 G81 N171	T54-P79 HydrophobicContact CG2-CG 4.11Å; A56-P79 HydrophobicContact CB-CB 3.73Å; A56-P79 HydrophobicContact CB-CG 3.64Å; I58-P79 HydrophobicContact CD1-CG 3.95Å; P79-G81 PolarHBondContact O-N 3.05Å; P79-N171 VanDerWaalsContact CA-ND2 3.3Å; P79-N171 WeakPolarHBondContact CA-ND2 3.32Å; P79-N171 HydrophobicContact CB-CB 4.43Å; P79-N171 VanDerWaalsContact O-CB 3.31Å; P79-N171 WeakPolarHBondContact O-CB 3.49Å; P79-N171 PolarHBondContact O-ND2 3.2Å
80	M	97.2	Very high	96.4	Very high	96 Å²	96	32.2 Å²	32.2	47%	0.473	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.1	179.9	-59.6	-62.8	109.2	0	0	112.2	D78 E82 C168 N171 T172	D78-M80 PolarHBondContact O-N 2.89Å; M80-E82 VanDerWaalsContact C-N 3.32Å; M80-E82 WeakPolarHBondContact CA-OE2 3.37Å; M80-E82 WeakPolarHBondContact CB-OE2 3.37Å; M80-E82 PolarHBondContact N-OE2 3.34Å; M80-C168 WeakPolarHBondContact O-CB 3.4Å; M80-C168 PolarHBondContact O-SG 3.46Å; M80-N171 HydrophobicContact CE-CB 3.83Å; M80-T172 HydrophobicContact SD-CG2 4.07Å
81	G	96.4	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	82.9	10.2	-176.8	0	0	0	0	0	112.6	D78 P79 H164	D78-G81 PolarHBondContact O-N 2.89Å; P79-G81 PolarHBondContact O-N 3.05Å; G81-H164 PolarHBondContact O-ND1 3.24Å
82	E	93.6	Very high	96.6	Very high	62 Å²	62	26.4 Å²	26.4	29%	0.29	15%	0.149	S	C	.	.			trans	-77.1	161.7	174.3	74	-78.9	-157.5	0	0	111.7	I77 D78 M80	I77-E82 CarbonylContact C-O 3.6Å; I77-E82 WeakPolarHBondContact CA-O 3.37Å; D78-E82 HydrophobicContact CB-CG 3.72Å; D78-E82 WeakPolarHBondContact CB-OE1 3.34Å; D78-E82 PolarHBondContact N-O 2.57Å; M80-E82 VanDerWaalsContact C-N 3.32Å; M80-E82 WeakPolarHBondContact CA-OE2 3.37Å; M80-E82 WeakPolarHBondContact CB-OE2 3.37Å; M80-E82 PolarHBondContact N-OE2 3.34Å
83	M	94.3	Very high	96.5	Very high	26 Å²	26	27.7 Å²	27.7	13%	0.128	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-65.4	150.5	170.6	-63.3	-69.4	-73.6	0	0	110.5	T26 K75 T85 K356	T26-M83 WeakPolarHBondContact O-CE 3.42Å; K75-M83 HydrophobicContact CD-CE 4.4Å; K75-M83 HydrophobicContact CG-CE 4.43Å; M83-T85 PolarHBondContact O-N 3.14Å; M83-K356 HydrophobicContact CB-CD 4.42Å; M83-K356 VanDerWaalsContact CB-CE 3.49Å; M83-K356 HydrophobicContact CB-CG 4.25Å
84	L	95.8	Very high	96.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.175	C	C	.	.			trans	-42.8	128	174.9	-175.1	70.5	0	0	0	112.5	Y24 R50 L76 W88 E89 K356	Y24-L84 HydrophobicContact CE1-CD2 4.15Å; Y24-L84 HydrophobicContact CE2-CD2 4.46Å; R50-L84 HydrophobicContact CG-CD1 4.46Å; L76-L84 HydrophobicContact CB-CB 4.05Å; L76-L84 HydrophobicContact CB-CD1 4.24Å; L76-L84 HydrophobicContact CB-CD2 4.3Å; L76-L84 HydrophobicContact CB-CG 4.43Å; L76-L84 HydrophobicContact CD1-CD1 4.38Å; L76-L84 HydrophobicContact CD1-CD2 4.09Å; L76-L84 PolarHBondContact O-N 3.15Å; L76-L84 VanDerWaalsContact O-N 3.08Å; L84-W88 HydrophobicContact CD1-CB 3.81Å; L84-W88 HydrophobicContact CD2-CB 3.99Å; L84-W88 HydrophobicContact CG-CB 3.88Å; L84-E89 HydrophobicContact CD2-CG 4.45Å; L84-K356 PolarHBondContact O-NZ 3.42Å
85	T	93.4	Very high	96.5	Very high	53 Å²	53	31.7 Å²	31.7	33%	0.325	18%	0.175	S	C	.	.			trans	-53.5	140.1	176.3	-169.3	0	0	0	0	112.2	D78 M83 S87 W88	D78-T85 PolarHBondContact OD2-N 2.89Å; M83-T85 PolarHBondContact O-N 3.14Å; T85-S87 PolarHBondContact O-N 3.46Å; T85-S87 VanDerWaalsContact O-N 3.15Å; T85-W88 HydrophobicContact CG2-CB 3.97Å; T85-W88 HydrophobicContact CG2-CG 3.93Å; T85-W88 PolarHBondContact O-N 2.98Å
86	S	91.8	Very high	96.5	Very high	68 Å²	68	31.5 Å²	31.5	48%	0.476	17%	0.174	S	C	.	.	H	α-helix	trans	-60.1	-29.9	-173.7	-74.8	0	0	0	0	114.2	W88 E89	S86-W88 PolarHBondContact O-N 2.93Å; S86-W88 VanDerWaalsContact O-N 3.13Å; S86-E89 VanDerWaalsContact CA-OE2 3.32Å; S86-E89 WeakPolarHBondContact CA-OE2 3.4Å; S86-E89 WeakPolarHBondContact CB-OE2 3.3Å; S86-E89 PolarHBondContact O-N 3.39Å; S86-E89 PolarHBondContact OG-OE2 3.48Å; S86-E89 VanDerWaalsContact OG-OE2 3.05Å
87	S	94.1	Very high	96.4	Very high	72 Å²	72	33.1 Å²	33.1	50%	0.503	18%	0.183	S	C	.	.	H	α-helix	trans	-65	-15.1	176.4	57.6	0	0	0	0	114	T85	T85-S87 PolarHBondContact O-N 3.46Å; T85-S87 VanDerWaalsContact O-N 3.15Å
88	W	97.1	Very high	96.3	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-101.1	-8.7	178.3	-81.9	60	0	0	0	113.8	L46 L49 R50 K53 L84 T85 S86 D90 Y91 A92 E114 I116	L46-W88 HydrophobicContact CD1-CE3 3.7Å; L46-W88 HydrophobicContact CD1-CZ3 3.61Å; L46-W88 HydrophobicContact CG-CE3 4.28Å; L46-W88 HydrophobicContact CG-CZ3 4.4Å; L49-W88 HydrophobicContact CB-CH2 4.5Å; L49-W88 HydrophobicContact CB-CZ3 4.38Å; R50-W88 HydrophobicContact CB-CE3 4.07Å; R50-W88 HydrophobicContact CB-CH2 4.23Å; R50-W88 HydrophobicContact CB-CZ3 3.67Å; R50-W88 HydrophobicContact CG-CE3 4.34Å; R50-W88 HydrophobicContact CG-CZ3 4.31Å; R50-W88 VanDerWaalsContact NH1-NE1 3.13Å; K53-W88 HydrophobicContact CB-CH2 4.17Å; K53-W88 HydrophobicContact CB-CZ2 4.12Å; K53-W88 HydrophobicContact CG-CH2 4.48Å; K53-W88 HydrophobicContact CG-CZ2 3.92Å; L84-W88 HydrophobicContact CD1-CB 3.81Å; L84-W88 HydrophobicContact CD2-CB 3.99Å; L84-W88 HydrophobicContact CG-CB 3.88Å; T85-W88 HydrophobicContact CG2-CB 3.97Å; T85-W88 HydrophobicContact CG2-CG 3.93Å; T85-W88 PolarHBondContact O-N 2.98Å; S86-W88 PolarHBondContact O-N 2.93Å; S86-W88 VanDerWaalsContact O-N 3.13Å; W88-D90 VanDerWaalsContact C-N 3.28Å; W88-D90 PolarHBondContact O-N 3.45Å; W88-Y91 HydrophobicContact CB-CD2 4.32Å; W88-Y91 AromaticContact CD2-CD2 3.86Å; W88-Y91 HydrophobicContact CD2-CD2 3.86Å; W88-Y91 HydrophobicContact CD2-CE2 4.34Å; W88-Y91 HydrophobicContact CE3-CD2 4.18Å; W88-Y91 AromaticContact CG-CD2 3.95Å; W88-Y91 HydrophobicContact CG-CD2 3.95Å; W88-Y91 HydrophobicContact CG-CE2 4.37Å; W88-Y91 PolarHBondContact O-N 3.37Å; W88-A92 PolarHBondContact O-N 2.91Å; W88-E114 HydrophobicContact CH2-CG 4.46Å; W88-E114 HydrophobicContact CZ2-CB 4.17Å; W88-E114 HydrophobicContact CZ2-CG 3.72Å; W88-E114 PolarHBondContact NE1-OE2 2.91Å; W88-I116 HydrophobicContact CH2-CD1 3.91Å
89	E	96.1	Very high	96.1	Very high	29 Å²	29	38.5 Å²	38.5	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-34	176.2	-62.1	-178.8	128.4	0	0	111.7	Y24 L84 S86 A92 T93 K356	Y24-E89 HydrophobicContact CD1-CB 3.92Å; Y24-E89 HydrophobicContact CD1-CG 3.65Å; Y24-E89 HydrophobicContact CE1-CG 3.97Å; Y24-E89 HydrophobicContact CG-CB 4.45Å; L84-E89 HydrophobicContact CD2-CG 4.45Å; S86-E89 VanDerWaalsContact CA-OE2 3.32Å; S86-E89 WeakPolarHBondContact CA-OE2 3.4Å; S86-E89 WeakPolarHBondContact CB-OE2 3.3Å; S86-E89 PolarHBondContact O-N 3.39Å; S86-E89 PolarHBondContact OG-OE2 3.48Å; S86-E89 VanDerWaalsContact OG-OE2 3.05Å; E89-A92 WeakPolarHBondContact O-CB 3.27Å; E89-A92 PolarHBondContact O-N 2.92Å; E89-T93 WeakPolarHBondContact O-CB 3.41Å; E89-T93 PolarHBondContact O-N 3.35Å; E89-T93 PolarHBondContact O-OG1 2.93Å; E89-K356 VanDerWaalsContact CD-NZ 3.32Å; E89-K356 IonicContact OE1-NZ 3.63Å; E89-K356 PolarHBondContact OE1-NZ 3Å; E89-K356 IonicContact OE2-NZ 3.05Å
90	D	96.2	Very high	95.7	Very high	116 Å²	116	40.5 Å²	40.5	62%	0.62	22%	0.221	S	C	*	.	H	α-helix	trans	-66	-39.5	174.8	-73.3	-19.3	0	0	0	111.4	W88 A92 T93 Q94	W88-D90 VanDerWaalsContact C-N 3.28Å; W88-D90 PolarHBondContact O-N 3.45Å; D90-A92 VanDerWaalsContact C-N 3.35Å; D90-T93 PolarHBondContact O-N 2.85Å; D90-Q94 VanDerWaalsContact O-CB 3.28Å; D90-Q94 WeakPolarHBondContact O-CB 3.42Å; D90-Q94 PolarHBondContact O-N 3.35Å
91	Y	98.3	Very high	95.5	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.035	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-39.3	174.1	-60.9	-42.7	0	0	0	111.8	W88 Q94 L95 I110 K113 E114	W88-Y91 HydrophobicContact CB-CD2 4.32Å; W88-Y91 AromaticContact CD2-CD2 3.86Å; W88-Y91 HydrophobicContact CD2-CD2 3.86Å; W88-Y91 HydrophobicContact CD2-CE2 4.34Å; W88-Y91 HydrophobicContact CE3-CD2 4.18Å; W88-Y91 AromaticContact CG-CD2 3.95Å; W88-Y91 HydrophobicContact CG-CD2 3.95Å; W88-Y91 HydrophobicContact CG-CE2 4.37Å; W88-Y91 PolarHBondContact O-N 3.37Å; Y91-Q94 PolarHBondContact O-N 3.48Å; Y91-L95 WeakPolarHBondContact O-CB 3.48Å; Y91-L95 WeakPolarHBondContact O-CG 3.18Å; Y91-L95 PolarHBondContact O-N 3.46Å; Y91-I110 HydrophobicContact CD1-CD1 4.22Å; Y91-I110 HydrophobicContact CD1-CG1 3.71Å; Y91-I110 HydrophobicContact CD1-CG2 4.5Å; Y91-I110 HydrophobicContact CD2-CG2 4.37Å; Y91-I110 HydrophobicContact CE1-CG1 4.24Å; Y91-I110 HydrophobicContact CG-CD1 4.29Å; Y91-I110 HydrophobicContact CG-CG1 4.11Å; Y91-I110 HydrophobicContact CG-CG2 4.31Å; Y91-K113 HydrophobicContact CE1-CD 4.02Å; Y91-K113 WeakPolarHBondContact OH-CD 3.48Å; Y91-K113 WeakPolarHBondContact OH-CE 3.24Å; Y91-K113 PolarHBondContact OH-NZ 3.38Å; Y91-E114 HydrophobicContact CE2-CG 3.67Å; Y91-E114 VanDerWaalsContact CE2-OE1 3.27Å; Y91-E114 WeakPolarHBondContact CE2-OE1 3.24Å; Y91-E114 PolarHBondContact OH-OE1 3.05Å
92	A	98.3	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-47.4	173.9	0	0	0	0	0	111.3	Y24 F29 M43 L46 W88 E89 D90 L95 A96	Y24-A92 HydrophobicContact CD2-CB 3.43Å; Y24-A92 VanDerWaalsContact CD2-CB 3.43Å; Y24-A92 HydrophobicContact CE2-CB 4.05Å; Y24-A92 HydrophobicContact CG-CB 3.84Å; F29-A92 HydrophobicContact CE2-CB 4.15Å; F29-A92 HydrophobicContact CZ-CB 4.42Å; F29-A92 WeakPolarHBondContact CZ-O 3.32Å; M43-A92 HydrophobicContact CE-CB 4.12Å; M43-A92 HydrophobicContact SD-CB 3.86Å; L46-A92 VanDerWaalsContact CD2-CA 3.45Å; L46-A92 HydrophobicContact CD2-CB 3.54Å; W88-A92 PolarHBondContact O-N 2.91Å; E89-A92 WeakPolarHBondContact O-CB 3.27Å; E89-A92 PolarHBondContact O-N 2.92Å; D90-A92 VanDerWaalsContact C-N 3.35Å; A92-L95 PolarHBondContact O-N 3.25Å; A92-A96 WeakPolarHBondContact O-CB 3.44Å; A92-A96 PolarHBondContact O-N 3.25Å
93	T	97.5	Very high	95.6	Very high	28 Å²	28	42.3 Å²	42.3	17%	0.172	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-45.1	176.3	-60.5	0	0	0	0	111.8	Q23 Y24 E89 D90 A96 N97	Q23-T93 HydrophobicContact CG-CG2 4.46Å; Y24-T93 WeakPolarHBondContact CB-OG1 3.48Å; Y24-T93 PolarHBondContact N-OG1 3.45Å; E89-T93 WeakPolarHBondContact O-CB 3.41Å; E89-T93 PolarHBondContact O-N 3.35Å; E89-T93 PolarHBondContact O-OG1 2.93Å; D90-T93 PolarHBondContact O-N 2.85Å; T93-A96 PolarHBondContact O-N 2.91Å; T93-N97 WeakPolarHBondContact CG2-ND2 3.41Å; T93-N97 WeakPolarHBondContact O-CB 3.37Å; T93-N97 PolarHBondContact O-N 2.9Å; T93-N97 VanDerWaalsContact O-N 3.16Å; T93-N97 PolarHBondContact O-ND2 3.41Å
94	Q	97.5	Very high	95.7	Very high	84 Å²	84	42.2 Å²	42.2	39%	0.393	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-48.1	178.3	-171.4	-175.9	7	0	0	111.2	D90 Y91 N97 T98 T106	D90-Q94 VanDerWaalsContact O-CB 3.28Å; D90-Q94 WeakPolarHBondContact O-CB 3.42Å; D90-Q94 PolarHBondContact O-N 3.35Å; Y91-Q94 PolarHBondContact O-N 3.48Å; Q94-N97 PolarHBondContact O-N 3.24Å; Q94-T98 PolarHBondContact O-N 3.13Å; Q94-T106 HydrophobicContact CG-CG2 3.75Å
95	L	97.5	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-43.1	178.1	-77.4	172	0	0	0	112	R42 M43 L46 Y91 A92 N97 L103 T106 L107 I110	R42-L95 WeakPolarHBondContact CD-O 3.36Å; R42-L95 PolarHBondContact NH1-O 2.87Å; M43-L95 HydrophobicContact CE-CB 4.4Å; L46-L95 HydrophobicContact CB-CD1 3.84Å; L46-L95 HydrophobicContact CD1-CD1 3.83Å; L46-L95 HydrophobicContact CD2-CD1 4.39Å; L46-L95 HydrophobicContact CG-CD1 4.23Å; Y91-L95 WeakPolarHBondContact O-CB 3.48Å; Y91-L95 WeakPolarHBondContact O-CG 3.18Å; Y91-L95 PolarHBondContact O-N 3.46Å; A92-L95 PolarHBondContact O-N 3.25Å; L95-N97 PolarHBondContact O-N 3.24Å; L95-L103 HydrophobicContact CD2-CD1 3.79Å; L95-T106 HydrophobicContact CD2-CG2 3.61Å; L95-T106 HydrophobicContact CG-CG2 4.15Å; L95-L107 HydrophobicContact CD1-CD2 4.1Å; L95-L107 HydrophobicContact CD2-CD2 3.68Å; L95-L107 HydrophobicContact CD2-CG 3.98Å; L95-I110 HydrophobicContact CD1-CD1 3.7Å; L95-I110 HydrophobicContact CD2-CD1 4.07Å; L95-I110 HydrophobicContact CG-CD1 3.7Å
96	A	96.9	Very high	96	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-33	178.4	0	0	0	0	0	112.8	F29 H38 I39 R42 A92 T93	F29-A96 HydrophobicContact CE1-CB 3.81Å; F29-A96 HydrophobicContact CE2-CB 3.78Å; F29-A96 HydrophobicContact CZ-CB 3.26Å; H38-A96 PolarHBondContact NE2-O 3.38Å; H38-A96 VanDerWaalsContact NE2-O 3.1Å; I39-A96 HydrophobicContact CD1-CB 4.47Å; I39-A96 HydrophobicContact CG1-CB 4.16Å; R42-A96 PolarHBondContact NH1-O 2.93Å; A92-A96 WeakPolarHBondContact O-CB 3.44Å; A92-A96 PolarHBondContact O-N 3.25Å; T93-A96 PolarHBondContact O-N 2.91Å
97	N	97.2	Very high	96.3	Very high	35 Å²	35	42.4 Å²	42.4	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-101.6	-13.4	-172.7	-63.8	-45.9	0	0	0	114.9	K16 V21 L22 T93 Q94 L95	K16-N97 PolarHBondContact NZ-O 2.91Å; V21-N97 VanDerWaalsContact CA-OD1 3.31Å; V21-N97 WeakPolarHBondContact CA-OD1 3.29Å; L22-N97 PolarHBondContact N-OD1 2.91Å; L22-N97 PolarHBondContact O-ND2 2.82Å; L22-N97 PolarHBondContact O-OD1 2.81Å; T93-N97 WeakPolarHBondContact CG2-ND2 3.41Å; T93-N97 WeakPolarHBondContact O-CB 3.37Å; T93-N97 PolarHBondContact O-N 2.9Å; T93-N97 VanDerWaalsContact O-N 3.16Å; T93-N97 PolarHBondContact O-ND2 3.41Å; Q94-N97 PolarHBondContact O-N 3.24Å; L95-N97 PolarHBondContact O-N 3.24Å
98	T	95.9	Very high	96.5	Very high	21 Å²	21	43.8 Å²	43.8	13%	0.129	22%	0.218	C	C	.	.	S	Bend	trans	-62.2	148.6	178.1	-168.8	0	0	0	0	111.6	K16 R42 Q94 E102 L103 T106	K16-T98 WeakPolarHBondContact CD-O 3.35Å; R42-T98 PolarHBondContact NH1-O 3.5Å; R42-T98 PolarHBondContact NH2-O 3.21Å; Q94-T98 PolarHBondContact O-N 3.13Å; T98-E102 WeakPolarHBondContact OG1-CB 3.36Å; T98-L103 HydrophobicContact CG2-CB 4.27Å; T98-L103 HydrophobicContact CG2-CD1 3.94Å; T98-T106 PolarHBondContact OG1-OG1 3.29Å
99	D	94.2	Very high	96.6	Very high	93 Å²	93	47 Å²	47	50%	0.497	24%	0.236	S	C	.	.			trans	-70.3	155.6	173.7	-66.7	-29.8	0	0	0	111.1	K16 N101 E102 L103	K16-D99 IonicContact NZ-OD1 2.68Å; K16-D99 PolarHBondContact NZ-OD1 3.49Å; D99-N101 VanDerWaalsContact C-N 3.3Å; D99-N101 WeakPolarHBondContact CB-OD1 3.02Å; D99-N101 PolarHBondContact O-N 3.33Å; D99-E102 PolarHBondContact O-N 3.21Å; D99-L103 PolarHBondContact O-N 3.34Å
100	Q	91.2	Very high	96.7	Very high	56 Å²	56	45.7 Å²	45.7	26%	0.262	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-55.5	-44.7	-171.7	-171.3	75.3	-2.5	0	0	112.3	S11 D12 E102 L103	S11-Q100 VanDerWaalsContact CB-NE2 3.32Å; S11-Q100 PolarHBondContact O-NE2 3.39Å; S11-Q100 VanDerWaalsContact OG-CD 3.26Å; S11-Q100 PolarHBondContact OG-NE2 3.02Å; S11-Q100 PolarHBondContact OG-OE1 3Å; D12-Q100 PolarHBondContact OD1-NE2 3.25Å; Q100-E102 VanDerWaalsContact C-N 3.27Å; Q100-E102 PolarHBondContact O-N 3.5Å; Q100-L103 WeakPolarHBondContact O-CB 3.38Å; Q100-L103 PolarHBondContact O-N 2.98Å
101	N	92.4	Very high	96.8	Very high	123 Å²	123	41.3 Å²	41.3	66%	0.658	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-69.2	-21.6	178.9	61.7	-44.1	0	0	0	113.6	D99	D99-N101 VanDerWaalsContact C-N 3.3Å; D99-N101 WeakPolarHBondContact CB-OD1 3.02Å; D99-N101 PolarHBondContact O-N 3.33Å
102	E	95.9	Very high	96.8	Very high	69 Å²	69	48.3 Å²	48.3	32%	0.322	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-97.3	-1.5	-179.8	-62.4	-61.2	126.8	0	0	112.8	T98 D99 Q100 V104 K105 T106	T98-E102 WeakPolarHBondContact OG1-CB 3.36Å; D99-E102 PolarHBondContact O-N 3.21Å; Q100-E102 VanDerWaalsContact C-N 3.27Å; Q100-E102 PolarHBondContact O-N 3.5Å; E102-V104 PolarHBondContact O-N 3.19Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 WeakPolarHBondContact OE2-CD 3.36Å; E102-K105 IonicContact OE2-NZ 3.84Å; E102-K105 PolarHBondContact OE2-NZ 3.47Å; E102-T106 PolarHBondContact O-N 2.79Å; E102-T106 PolarHBondContact O-OG1 2.64Å
103	L	96.4	Very high	96.8	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-49.4	-176.8	178.1	61.2	0	0	0	112.4	V7 S11 F41 R42 L45 L95 T98 D99 Q100 K105 T106 L107	V7-L103 HydrophobicContact CG1-CD2 4.28Å; S11-L103 VanDerWaalsContact OG-CD2 3.25Å; S11-L103 WeakPolarHBondContact OG-CD2 3.29Å; F41-L103 HydrophobicContact CE1-CD2 4.3Å; R42-L103 HydrophobicContact CG-CD1 4.14Å; L45-L103 HydrophobicContact CD1-CD2 4.2Å; L95-L103 HydrophobicContact CD2-CD1 3.79Å; T98-L103 HydrophobicContact CG2-CB 4.27Å; T98-L103 HydrophobicContact CG2-CD1 3.94Å; D99-L103 PolarHBondContact O-N 3.34Å; Q100-L103 WeakPolarHBondContact O-CB 3.38Å; Q100-L103 PolarHBondContact O-N 2.98Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.49Å; L103-T106 WeakPolarHBondContact O-CB 3.49Å; L103-T106 PolarHBondContact O-N 2.81Å; L103-L107 HydrophobicContact CG-CD1 4.31Å; L103-L107 WeakPolarHBondContact O-CG 3.26Å; L103-L107 PolarHBondContact O-N 3.17Å
104	V	97	Very high	96.8	Very high	24 Å²	24	56 Å²	56	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-37	-179.1	170.6	0	0	0	0	111.9	F4 C8 E102 L107 K108	F4-V104 HydrophobicContact CB-CG1 3.81Å; F4-V104 HydrophobicContact CB-CG2 4.05Å; F4-V104 HydrophobicContact CD1-CG1 4.05Å; F4-V104 HydrophobicContact CD1-CG2 4.41Å; F4-V104 HydrophobicContact CD2-CG1 4.31Å; F4-V104 HydrophobicContact CG-CG1 3.8Å; C8-V104 WeakPolarHBondContact SG-CG2 3.32Å; E102-V104 PolarHBondContact O-N 3.19Å; V104-L107 PolarHBondContact O-N 2.99Å; V104-K108 HydrophobicContact CG1-CD 4.27Å; V104-K108 WeakPolarHBondContact O-CG 3.24Å; V104-K108 PolarHBondContact O-N 2.91Å
105	K	97.4	Very high	96.8	Very high	118 Å²	118	55.9 Å²	55.9	51%	0.513	28%	0.284	S	S	.	.	H	α-helix	trans	-63.1	-49	175.4	-178.1	-171.6	173.4	-172.6	0	110.2	E102 L103 L107 K108 D109	E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 WeakPolarHBondContact OE2-CD 3.36Å; E102-K105 IonicContact OE2-NZ 3.84Å; E102-K105 PolarHBondContact OE2-NZ 3.47Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.49Å; K105-L107 VanDerWaalsContact C-N 3.3Å; K105-L107 PolarHBondContact O-N 2.99Å; K105-K108 WeakPolarHBondContact O-CB 3.32Å; K105-K108 PolarHBondContact O-N 3.01Å; K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.23Å
106	T	98	Very high	96.8	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.055	29%	0.287	C	S	.	.	H	α-helix	trans	-56.3	-43	177.1	-56.6	0	0	0	0	112.1	Q94 L95 T98 E102 L103 D109 I110	Q94-T106 HydrophobicContact CG-CG2 3.75Å; L95-T106 HydrophobicContact CD2-CG2 3.61Å; L95-T106 HydrophobicContact CG-CG2 4.15Å; T98-T106 PolarHBondContact OG1-OG1 3.29Å; E102-T106 PolarHBondContact O-N 2.79Å; E102-T106 PolarHBondContact O-OG1 2.64Å; L103-T106 WeakPolarHBondContact O-CB 3.49Å; L103-T106 PolarHBondContact O-N 2.81Å; T106-D109 PolarHBondContact O-N 3.09Å; T106-I110 HydrophobicContact CG2-CD1 4.23Å; T106-I110 WeakPolarHBondContact O-CG1 3.29Å; T106-I110 PolarHBondContact O-N 3.29Å; T106-I110 VanDerWaalsContact O-N 3.08Å
107	L	98.3	Very high	96.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-42.9	175.6	-69.8	167.2	0	0	0	112.3	F4 V7 L45 L49 L95 L103 V104 K105 D109 I110 I111	F4-L107 HydrophobicContact CD1-CD1 4.24Å; F4-L107 HydrophobicContact CE1-CB 3.95Å; F4-L107 HydrophobicContact CE1-CD1 4.08Å; V7-L107 HydrophobicContact CG1-CD1 3.89Å; L45-L107 HydrophobicContact CB-CD2 4.21Å; L45-L107 HydrophobicContact CD1-CD1 4.16Å; L49-L107 HydrophobicContact CD1-CD2 3.81Å; L95-L107 HydrophobicContact CD1-CD2 4.1Å; L95-L107 HydrophobicContact CD2-CD2 3.68Å; L95-L107 HydrophobicContact CD2-CG 3.98Å; L103-L107 HydrophobicContact CG-CD1 4.31Å; L103-L107 WeakPolarHBondContact O-CG 3.26Å; L103-L107 PolarHBondContact O-N 3.17Å; V104-L107 PolarHBondContact O-N 2.99Å; K105-L107 VanDerWaalsContact C-N 3.3Å; K105-L107 PolarHBondContact O-N 2.99Å; L107-D109 VanDerWaalsContact C-N 3.34Å; L107-I110 PolarHBondContact O-N 3.33Å; L107-I111 WeakPolarHBondContact O-CD1 3.33Å; L107-I111 VanDerWaalsContact O-CG1 3.23Å; L107-I111 WeakPolarHBondContact O-CG1 3.38Å; L107-I111 PolarHBondContact O-N 3.4Å
108	K	97.8	Very high	96.8	Very high	101 Å²	101	60.1 Å²	60.1	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-41.6	177	-72.9	172.1	179.7	175.7	0	111.7	F4 V104 K105 I110 I111 E112	F4-K108 HydrophobicContact CE2-CG 4.07Å; F4-K108 HydrophobicContact CZ-CG 4.11Å; V104-K108 HydrophobicContact CG1-CD 4.27Å; V104-K108 WeakPolarHBondContact O-CG 3.24Å; V104-K108 PolarHBondContact O-N 2.91Å; K105-K108 WeakPolarHBondContact O-CB 3.32Å; K105-K108 PolarHBondContact O-N 3.01Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.13Å; K108-I111 PolarHBondContact O-N 3.5Å; K108-E112 WeakPolarHBondContact O-CB 3.15Å; K108-E112 PolarHBondContact O-N 3Å
109	D	98.3	Very high	96.8	Very high	70 Å²	70	63.8 Å²	63.8	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-42	177.8	-62.8	-14	0	0	0	110.8	K105 T106 L107 K113	K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.23Å; T106-D109 PolarHBondContact O-N 3.09Å; L107-D109 VanDerWaalsContact C-N 3.34Å; D109-K113 WeakPolarHBondContact O-CB 3.34Å; D109-K113 PolarHBondContact O-N 3.48Å
110	I	98.3	Very high	96.9	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-64.2	-46	174.9	-65	165.2	0	0	0	110.9	L49 Y91 L95 T106 L107 K108 E112 K113 E114 I116	L49-I110 HydrophobicContact CD1-CB 4.44Å; L49-I110 HydrophobicContact CD1-CG2 4.06Å; Y91-I110 HydrophobicContact CD1-CD1 4.22Å; Y91-I110 HydrophobicContact CD1-CG1 3.71Å; Y91-I110 HydrophobicContact CD1-CG2 4.5Å; Y91-I110 HydrophobicContact CD2-CG2 4.37Å; Y91-I110 HydrophobicContact CE1-CG1 4.24Å; Y91-I110 HydrophobicContact CG-CD1 4.29Å; Y91-I110 HydrophobicContact CG-CG1 4.11Å; Y91-I110 HydrophobicContact CG-CG2 4.31Å; L95-I110 HydrophobicContact CD1-CD1 3.7Å; L95-I110 HydrophobicContact CD2-CD1 4.07Å; L95-I110 HydrophobicContact CG-CD1 3.7Å; T106-I110 HydrophobicContact CG2-CD1 4.23Å; T106-I110 WeakPolarHBondContact O-CG1 3.29Å; T106-I110 PolarHBondContact O-N 3.29Å; T106-I110 VanDerWaalsContact O-N 3.08Å; L107-I110 PolarHBondContact O-N 3.33Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.13Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-E112 PolarHBondContact O-N 2.76Å; I110-K113 PolarHBondContact O-N 3.05Å; I110-E114 HydrophobicContact CG2-CG 4.49Å; I110-E114 WeakPolarHBondContact O-CB 3.42Å; I110-E114 PolarHBondContact O-N 3Å; I110-I116 HydrophobicContact CG2-CD1 4.32Å
111	I	98.4	Very high	97.2	Very high	24 Å²	24	65.1 Å²	65.1	12%	0.123	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-46	179	-72.4	160.3	0	0	0	111.2	F4 L49 L107 K108 A115 I116 M118	F4-I111 HydrophobicContact CE1-CD1 4.29Å; F4-I111 HydrophobicContact CZ-CD1 3.63Å; L49-I111 HydrophobicContact CD1-CG1 4.2Å; L49-I111 HydrophobicContact CD2-CD1 3.92Å; L49-I111 HydrophobicContact CD2-CG1 3.63Å; L107-I111 WeakPolarHBondContact O-CD1 3.33Å; L107-I111 VanDerWaalsContact O-CG1 3.23Å; L107-I111 WeakPolarHBondContact O-CG1 3.38Å; L107-I111 PolarHBondContact O-N 3.4Å; K108-I111 PolarHBondContact O-N 3.5Å; I111-A115 CarbonylContact O-C 3.49Å; I111-A115 WeakPolarHBondContact O-CA 3.15Å; I111-A115 PolarHBondContact O-N 3.13Å; I111-I116 HydrophobicContact CB-CB 4.46Å; I111-I116 HydrophobicContact CG1-CB 4.42Å; I111-I116 HydrophobicContact CG1-CD1 4.36Å; I111-I116 HydrophobicContact CG2-CB 4.22Å; I111-I116 PolarHBondContact O-N 2.75Å; I111-M118 HydrophobicContact CD1-CE 4.12Å; I111-M118 HydrophobicContact CD1-CG 4.2Å; I111-M118 HydrophobicContact CD1-SD 3.58Å; I111-M118 VanDerWaalsContact CD1-SD 3.58Å; I111-M118 HydrophobicContact CG1-SD 3.84Å; I111-M118 HydrophobicContact CG2-CG 4.06Å; I111-M118 HydrophobicContact CG2-SD 4.38Å
112	E	98.1	Very high	97.5	Very high	156 Å²	156	59.3 Å²	59.3	73%	0.729	30%	0.304	S	S	*	.	H	α-helix	trans	-66.6	-49.9	179.1	-175.9	173	-177.2	0	0	111.1	K108 I110 E114 A115	K108-E112 WeakPolarHBondContact O-CB 3.15Å; K108-E112 PolarHBondContact O-N 3Å; I110-E112 VanDerWaalsContact C-N 3.34Å; I110-E112 PolarHBondContact O-N 2.76Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 3.44Å; E112-A115 PolarHBondContact O-N 2.8Å
113	K	98.1	Very high	97.6	Very high	152 Å²	152	58.5 Å²	58.5	66%	0.661	30%	0.302	S	S	*	.	H	α-helix	trans	-61.4	-41.4	-177.6	-175.7	174.3	172.4	-150.6	0	112.8	Y91 D109 I110 A115	Y91-K113 HydrophobicContact CE1-CD 4.02Å; Y91-K113 WeakPolarHBondContact OH-CD 3.48Å; Y91-K113 WeakPolarHBondContact OH-CE 3.24Å; Y91-K113 PolarHBondContact OH-NZ 3.38Å; D109-K113 WeakPolarHBondContact O-CB 3.34Å; D109-K113 PolarHBondContact O-N 3.48Å; I110-K113 PolarHBondContact O-N 3.05Å; K113-A115 VanDerWaalsContact C-N 3.31Å
114	E	98.1	Very high	97.7	Very high	38 Å²	38	58.4 Å²	58.4	18%	0.178	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.8	178.6	-66.2	-64.6	137.1	0	0	112.7	K53 W88 Y91 I110 E112 I116	K53-E114 WeakPolarHBondContact CD-O 3.11Å; K53-E114 WeakPolarHBondContact CE-O 3.32Å; K53-E114 PolarHBondContact NZ-O 2.87Å; W88-E114 HydrophobicContact CH2-CG 4.46Å; W88-E114 HydrophobicContact CZ2-CB 4.17Å; W88-E114 HydrophobicContact CZ2-CG 3.72Å; W88-E114 PolarHBondContact NE1-OE2 2.91Å; Y91-E114 HydrophobicContact CE2-CG 3.67Å; Y91-E114 VanDerWaalsContact CE2-OE1 3.27Å; Y91-E114 WeakPolarHBondContact CE2-OE1 3.24Å; Y91-E114 PolarHBondContact OH-OE1 3.05Å; I110-E114 HydrophobicContact CG2-CG 4.49Å; I110-E114 WeakPolarHBondContact O-CB 3.42Å; I110-E114 PolarHBondContact O-N 3Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 3.44Å; E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 HydrophobicContact CB-CD1 3.98Å; E114-I116 HydrophobicContact CB-CG1 3.64Å; E114-I116 PolarHBondContact O-N 3.34Å
115	A	97.8	Very high	97.8	Very high	81 Å²	81	58 Å²	58	67%	0.669	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	50.9	-176.1	0	0	0	0	0	112.3	I111 E112 K113 D117	I111-A115 CarbonylContact O-C 3.49Å; I111-A115 WeakPolarHBondContact O-CA 3.15Å; I111-A115 PolarHBondContact O-N 3.13Å; E112-A115 PolarHBondContact O-N 2.8Å; K113-A115 VanDerWaalsContact C-N 3.31Å; A115-D117 PolarHBondContact O-N 2.93Å
116	I	98.1	Very high	97.9	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.056	27%	0.273	C	S	.	.			trans	-78.2	119.8	-175.6	-52.9	-178.1	0	0	0	109.5	L49 K52 K53 W88 I110 I111 E114 M118	L49-I116 HydrophobicContact CB-CD1 3.91Å; L49-I116 HydrophobicContact CD1-CD1 4.5Å; L49-I116 HydrophobicContact CD2-CD1 4.24Å; L49-I116 HydrophobicContact CG-CD1 4.45Å; K52-I116 HydrophobicContact CB-CG2 3.66Å; K52-I116 HydrophobicContact CD-CG2 4.49Å; K53-I116 HydrophobicContact CB-CG1 4.3Å; K53-I116 HydrophobicContact CD-CG1 4.49Å; W88-I116 HydrophobicContact CH2-CD1 3.91Å; I110-I116 HydrophobicContact CG2-CD1 4.32Å; I111-I116 HydrophobicContact CB-CB 4.46Å; I111-I116 HydrophobicContact CG1-CB 4.42Å; I111-I116 HydrophobicContact CG1-CD1 4.36Å; I111-I116 HydrophobicContact CG2-CB 4.22Å; I111-I116 PolarHBondContact O-N 2.75Å; E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 HydrophobicContact CB-CD1 3.98Å; E114-I116 HydrophobicContact CB-CG1 3.64Å; E114-I116 PolarHBondContact O-N 3.34Å; I116-M118 HydrophobicContact CG2-SD 4.27Å; I116-M118 PolarHBondContact O-N 3.38Å
117	D	97.1	Very high	97.9	Very high	73 Å²	73	52 Å²	52	39%	0.39	27%	0.271	S	S	.	.			trans	-75.3	104	171.2	176.1	7.8	0	0	0	110.1	A115 S119 Q120	A115-D117 PolarHBondContact O-N 2.93Å; D117-S119 VanDerWaalsContact CG-OG 3.24Å; D117-S119 PolarHBondContact O-N 2.92Å; D117-S119 WeakPolarHBondContact OD1-CB 3.29Å; D117-S119 PolarHBondContact OD1-N 2.76Å; D117-S119 PolarHBondContact OD1-OG 2.78Å; D117-S119 PolarHBondContact OD2-OG 3.13Å; D117-Q120 HydrophobicContact CB-CG 3.81Å; D117-Q120 WeakPolarHBondContact O-CB 3.44Å; D117-Q120 WeakPolarHBondContact O-CG 3.14Å; D117-Q120 PolarHBondContact O-N 2.95Å; D117-Q120 VanDerWaalsContact O-N 3.16Å; D117-Q120 PolarHBondContact OD2-NE2 3.16Å
118	M	96.3	Very high	97.9	Very high	40 Å²	40	53.1 Å²	53.1	20%	0.197	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16	-177.8	-69.9	-59.1	-67.5	0	0	114	L49 K52 I111 I116 Q120 L148	L49-M118 HydrophobicContact CD2-CE 4.26Å; L49-M118 HydrophobicContact CD2-SD 3.8Å; K52-M118 HydrophobicContact CD-CE 4.28Å; K52-M118 HydrophobicContact CD-SD 3.94Å; K52-M118 PolarHBondContact NZ-O 2.76Å; I111-M118 HydrophobicContact CD1-CE 4.12Å; I111-M118 HydrophobicContact CD1-CG 4.2Å; I111-M118 HydrophobicContact CD1-SD 3.58Å; I111-M118 VanDerWaalsContact CD1-SD 3.58Å; I111-M118 HydrophobicContact CG1-SD 3.84Å; I111-M118 HydrophobicContact CG2-CG 4.06Å; I111-M118 HydrophobicContact CG2-SD 4.38Å; I116-M118 HydrophobicContact CG2-SD 4.27Å; I116-M118 PolarHBondContact O-N 3.38Å; M118-Q120 VanDerWaalsContact C-N 3.32Å; M118-L148 HydrophobicContact CE-CD1 4.01Å; M118-L148 HydrophobicContact CE-CG 4.26Å
119	S	95.3	Very high	98	Very high	98 Å²	98	48.3 Å²	48.3	69%	0.685	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-17.6	175.5	75.8	0	0	0	0	113.4	D117	D117-S119 VanDerWaalsContact CG-OG 3.24Å; D117-S119 PolarHBondContact O-N 2.92Å; D117-S119 WeakPolarHBondContact OD1-CB 3.29Å; D117-S119 PolarHBondContact OD1-N 2.76Å; D117-S119 PolarHBondContact OD1-OG 2.78Å; D117-S119 PolarHBondContact OD2-OG 3.13Å
120	Q	96.8	Very high	98	Very high	57 Å²	57	47.3 Å²	47.3	27%	0.266	25%	0.251	S	S	.	.	S	Bend	trans	-62.7	141.1	176.2	-63.3	-60.5	-52.4	0	0	110.7	K52 D117 M118	K52-Q120 HydrophobicContact CB-CB 4.23Å; K52-Q120 HydrophobicContact CG-CB 4.4Å; K52-Q120 PolarHBondContact NZ-O 3.35Å; D117-Q120 HydrophobicContact CB-CG 3.81Å; D117-Q120 WeakPolarHBondContact O-CB 3.44Å; D117-Q120 WeakPolarHBondContact O-CG 3.14Å; D117-Q120 PolarHBondContact O-N 2.95Å; D117-Q120 VanDerWaalsContact O-N 3.16Å; D117-Q120 PolarHBondContact OD2-NE2 3.16Å; M118-Q120 VanDerWaalsContact C-N 3.32Å
121	E	96.9	Very high	98	Very high	120 Å²	120	47.5 Å²	47.5	56%	0.561	25%	0.252	S	S	*	.			trans	-65.7	146.8	170.6	-162.5	-174.2	139.2	0	0	110.1	N123 H151	E121-N123 PolarHBondContact OE1-ND2 3.12Å; E121-H151 IonicContact OE1-CD2 2.7Å; E121-H151 PolarHBondContact OE1-CD2 3.09Å
122	A	98.5	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.282	C	S	.	.			trans	-122.8	131.7	176.6	0	0	0	0	0	109.7	T48 S51 K52 H151	T48-A122 HydrophobicContact CG2-CB 3.7Å; S51-A122 WeakPolarHBondContact OG-CA 3.49Å; K52-A122 HydrophobicContact CG-CB 3.8Å; A122-H151 PolarHBondContact O-N 3.19Å
123	N	98.7	Very high	97.9	Very high	52 Å²	52	45 Å²	45	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.9	179.8	-77.6	-75.6	0	0	0	109.3	S51 T57 I58 E121 H151	S51-N123 PolarHBondContact OG-N 3.45Å; S51-N123 PolarHBondContact OG-O 2.9Å; T57-N123 VanDerWaalsContact CA-O 3.3Å; T57-N123 WeakPolarHBondContact CA-O 3.35Å; I58-N123 PolarHBondContact N-O 2.7Å; E121-N123 PolarHBondContact OE1-ND2 3.12Å; N123-H151 CarbonylContact C-O 3.55Å; N123-H151 WeakPolarHBondContact CA-O 3.43Å
124	V	98.9	Very high	98	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.5	-176.9	-176.3	0	0	0	0	110.5	A47 I58 V60 V126 V145 H151 S152 K153	A47-V124 HydrophobicContact CB-CG1 3.99Å; A47-V124 HydrophobicContact CB-CG2 4.13Å; I58-V124 CarbonylContact O-C 3.57Å; I58-V124 VanDerWaalsContact O-CA 3.26Å; I58-V124 WeakPolarHBondContact O-CA 3.5Å; V60-V124 HydrophobicContact CG2-CG1 3.66Å; V124-V126 HydrophobicContact CG1-CG2 4.25Å; V124-V145 HydrophobicContact CB-CG1 4.1Å; V124-V145 HydrophobicContact CB-CG2 3.91Å; V124-V145 HydrophobicContact CG1-CG2 3.87Å; V124-V145 HydrophobicContact CG2-CG1 4.06Å; V124-V145 HydrophobicContact CG2-CG2 4.01Å; V124-H151 PolarHBondContact N-O 3.32Å; V124-S152 CarbonylContact O-C 3.56Å; V124-S152 WeakPolarHBondContact O-CA 3.28Å; V124-K153 PolarHBondContact O-N 3.49Å
125	Y	98.9	Very high	98	Very high	17 Å²	17	39.4 Å²	39.4	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.6	173.8	-71.8	0.7	0	0	0	109.4	T57 I58 G59 V60 K153 Y155 V167 Q170	T57-Y125 HydrophobicContact CG2-CD1 3.56Å; T57-Y125 HydrophobicContact CG2-CD2 3.77Å; T57-Y125 HydrophobicContact CG2-CE1 3.77Å; T57-Y125 HydrophobicContact CG2-CE2 3.99Å; T57-Y125 HydrophobicContact CG2-CG 3.59Å; I58-Y125 PolarHBondContact O-N 2.9Å; G59-Y125 CarbonylContact C-O 3.59Å; G59-Y125 WeakPolarHBondContact CA-O 3.49Å; V60-Y125 PolarHBondContact N-O 3.04Å; Y125-K153 WeakPolarHBondContact CA-O 3.16Å; Y125-K153 HydrophobicContact CD1-CB 3.59Å; Y125-K153 HydrophobicContact CD1-CD 4.34Å; Y125-K153 HydrophobicContact CD1-CG 4.47Å; Y125-K153 HydrophobicContact CE1-CB 3.64Å; Y125-K153 HydrophobicContact CE1-CD 3.8Å; Y125-K153 HydrophobicContact CE1-CG 4.33Å; Y125-K153 HydrophobicContact CG-CB 4.49Å; Y125-Y155 HydrophobicContact CD1-CE2 4.19Å; Y125-Y155 HydrophobicContact CD2-CD2 4.38Å; Y125-Y155 AromaticContact CD2-CE2 3.42Å; Y125-Y155 HydrophobicContact CD2-CE2 3.42Å; Y125-Y155 VanDerWaalsContact CD2-CE2 3.42Å; Y125-Y155 HydrophobicContact CE1-CE2 4.46Å; Y125-Y155 AromaticContact CE2-CE2 3.72Å; Y125-Y155 HydrophobicContact CE2-CE2 3.72Å; Y125-Y155 AromaticContact CE2-CZ 3.95Å; Y125-Y155 VanDerWaalsContact CE2-OH 3.28Å; Y125-Y155 WeakPolarHBondContact CE2-OH 3.25Å; Y125-Y155 HydrophobicContact CG-CD2 4.33Å; Y125-Y155 AromaticContact CG-CE2 3.65Å; Y125-Y155 HydrophobicContact CG-CE2 3.65Å; Y125-V167 HydrophobicContact CD2-CG2 4.35Å; Y125-Q170 HydrophobicContact CE2-CB 3.83Å; Y125-Q170 HydrophobicContact CE2-CG 4.03Å; Y125-Q170 VanDerWaalsContact OH-CD 3.3Å; Y125-Q170 WeakPolarHBondContact OH-CG 3.21Å; Y125-Q170 PolarHBondContact OH-OE1 2.85Å
126	V	98.9	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.3	-179.3	-173.8	0	0	0	0	109	V60 V124 V141 L142 K153 Y155	V60-V126 HydrophobicContact CB-CG2 4.37Å; V60-V126 WeakPolarHBondContact O-CA 3.31Å; V124-V126 HydrophobicContact CG1-CG2 4.25Å; V126-V141 HydrophobicContact CG1-CG1 4.37Å; V126-V141 HydrophobicContact CG2-CG1 3.91Å; V126-L142 HydrophobicContact CB-CD2 4.19Å; V126-L142 HydrophobicContact CG2-CD2 3.72Å; V126-L142 HydrophobicContact CG2-CG 4.49Å; V126-K153 PolarHBondContact N-O 3.34Å; V126-Y155 PolarHBondContact O-N 2.95Å
127	G	98.8	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	163.1	172.6	0	0	0	0	0	110.9	V60 V62	V60-G127 PolarHBondContact O-N 3.16Å; V62-G127 PolarHBondContact N-O 3.04Å
128	K	98.8	Very high	98.1	Very high	23 Å²	23	35.2 Å²	35.2	10%	0.1	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.3	-177.7	64.8	-179.5	162.7	-164.1	0	113.8	V62 S135 S138 G156 L157 V158	V62-K128 HydrophobicContact CB-CB 3.99Å; V62-K128 WeakPolarHBondContact O-CA 3.36Å; K128-S135 PolarHBondContact NZ-OG 3.33Å; K128-S135 VanDerWaalsContact NZ-OG 3.1Å; K128-S138 PolarHBondContact NZ-OG 2.93Å; K128-G156 WeakPolarHBondContact CG-O 3.27Å; K128-G156 PolarHBondContact N-O 3.42Å; K128-L157 HydrophobicContact CG-CD2 4.34Å; K128-L157 WeakPolarHBondContact O-CA 3.25Å; K128-V158 PolarHBondContact O-N 3.07Å; K128-V158 VanDerWaalsContact O-N 3.1Å
129	D	98.6	Very high	98.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.221	C	C	.	.			trans	-83.6	-170.8	170.6	74.6	9.6	0	0	0	112.8	M61 V62 T63 R131 S134 L157 I217	M61-D129 HydrophobicContact CE-CB 4.47Å; V62-D129 PolarHBondContact O-N 2.96Å; V62-D129 VanDerWaalsContact O-N 3.08Å; T63-D129 WeakPolarHBondContact CA-OD2 3.29Å; T63-D129 VanDerWaalsContact CB-OD2 3.26Å; T63-D129 WeakPolarHBondContact CB-OD2 3.26Å; T63-D129 PolarHBondContact OG1-OD2 2.97Å; D129-R131 WeakPolarHBondContact OD1-CB 3.49Å; D129-R131 WeakPolarHBondContact OD1-CD 3.41Å; D129-R131 VanDerWaalsContact OD1-CG 3.27Å; D129-R131 WeakPolarHBondContact OD1-CG 3.42Å; D129-R131 PolarHBondContact OD1-N 3.26Å; D129-R131 WeakPolarHBondContact OD2-CD 3.45Å; D129-R131 IonicContact OD2-NE 3.92Å; D129-R131 PolarHBondContact OD2-NE 3.41Å; D129-S134 PolarHBondContact OD1-OG 3.1Å; D129-L157 WeakPolarHBondContact O-CD2 3.29Å; D129-I217 HydrophobicContact CB-CG2 4.21Å
130	T	98.3	Very high	98.4	Very high	48 Å²	48	33 Å²	33	29%	0.294	19%	0.189	S	C	.	.	S	Bend	trans	-84.5	3.8	-176.9	50.8	0	0	0	0	115.2	S132 L157 I217 I220	T130-S132 PolarHBondContact O-N 2.9Å; T130-L157 HydrophobicContact CG2-CD2 4.32Å; T130-I217 HydrophobicContact CG2-CB 4.03Å; T130-I217 HydrophobicContact CG2-CD1 3.99Å; T130-I220 HydrophobicContact CG2-CD1 3.72Å
131	R	98.4	Very high	98.5	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.023	18%	0.176	C	C	.	.			trans	-60.9	142.4	179.5	-65.7	163.1	-178.4	-81.4	-8.8	110.4	S65 N67 P68 E69 D71 D129 S133 S134 L246	S65-R131 PolarHBondContact O-NH2 2.83Å; N67-R131 PolarHBondContact O-NH2 2.94Å; P68-R131 PolarHBondContact O-NH1 3.13Å; E69-R131 PolarHBondContact O-NH1 3.49Å; D71-R131 WeakPolarHBondContact O-CD 3.34Å; D71-R131 PolarHBondContact O-NH1 3.15Å; D129-R131 WeakPolarHBondContact OD1-CB 3.49Å; D129-R131 WeakPolarHBondContact OD1-CD 3.41Å; D129-R131 VanDerWaalsContact OD1-CG 3.27Å; D129-R131 WeakPolarHBondContact OD1-CG 3.42Å; D129-R131 PolarHBondContact OD1-N 3.26Å; D129-R131 WeakPolarHBondContact OD2-CD 3.45Å; D129-R131 IonicContact OD2-NE 3.92Å; D129-R131 PolarHBondContact OD2-NE 3.41Å; R131-S133 PolarHBondContact O-N 3.38Å; R131-S134 WeakPolarHBondContact CB-OG 3.42Å; R131-S134 VanDerWaalsContact O-CB 3.23Å; R131-S134 WeakPolarHBondContact O-CB 3.38Å; R131-S134 PolarHBondContact O-N 3.08Å; R131-L246 HydrophobicContact CG-CD2 3.65Å
132	S	97	Very high	98.6	Very high	109 Å²	109	25.5 Å²	25.5	76%	0.762	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.2	-179.1	57.6	0	0	0	0	113	T130	T130-S132 PolarHBondContact O-N 2.9Å
133	S	98.4	Very high	98.6	Very high	18 Å²	18	27.1 Å²	27.1	13%	0.126	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.5	176.9	58.6	0	0	0	0	114.3	A33 N72 R131 S135 S136 L137	A33-S133 VanDerWaalsContact CB-CB 3.49Å; A33-S133 VanDerWaalsContact CB-OG 3.28Å; A33-S133 WeakPolarHBondContact CB-OG 3.25Å; N72-S133 PolarHBondContact ND2-OG 2.88Å; R131-S133 PolarHBondContact O-N 3.38Å; S133-S135 PolarHBondContact O-N 2.93Å; S133-S136 PolarHBondContact O-N 3.25Å; S133-S136 PolarHBondContact O-OG 3.48Å; S133-S136 VanDerWaalsContact O-OG 3.05Å; S133-L137 WeakPolarHBondContact O-CB 3.36Å; S133-L137 VanDerWaalsContact O-CG 3.26Å; S133-L137 WeakPolarHBondContact O-CG 3.42Å; S133-L137 PolarHBondContact O-N 3.02Å
134	S	98.6	Very high	98.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-30.5	-173.3	-78	0	0	0	0	113	N72 D129 R131 S138	N72-S134 PolarHBondContact ND2-N 2.98Å; N72-S134 PolarHBondContact ND2-OG 3.03Å; D129-S134 PolarHBondContact OD1-OG 3.1Å; R131-S134 WeakPolarHBondContact CB-OG 3.42Å; R131-S134 VanDerWaalsContact O-CB 3.23Å; R131-S134 WeakPolarHBondContact O-CB 3.38Å; R131-S134 PolarHBondContact O-N 3.08Å; S134-S138 VanDerWaalsContact O-CB 3.25Å; S134-S138 WeakPolarHBondContact O-CB 3.39Å; S134-S138 PolarHBondContact O-N 2.88Å; S134-S138 PolarHBondContact O-OG 3.08Å; S134-S138 VanDerWaalsContact O-OG 3.12Å
135	S	98.4	Very high	98.6	Very high	71 Å²	71	24.6 Å²	24.6	50%	0.497	15%	0.149	S	C	.	.	H	α-helix	trans	-70.8	-42.7	179.1	-71.9	0	0	0	0	114.2	K128 S133 S138 Q139	K128-S135 PolarHBondContact NZ-OG 3.33Å; K128-S135 VanDerWaalsContact NZ-OG 3.1Å; S133-S135 PolarHBondContact O-N 2.93Å; S135-S138 PolarHBondContact O-OG 2.97Å; S135-Q139 PolarHBondContact O-N 2.9Å
136	S	98.4	Very high	98.6	Very high	71 Å²	71	31.1 Å²	31.1	50%	0.497	18%	0.178	S	C	.	.	H	α-helix	trans	-71.1	-38.8	175.2	53.7	0	0	0	0	111.2	S133 Q139 A140	S133-S136 PolarHBondContact O-N 3.25Å; S133-S136 PolarHBondContact O-OG 3.48Å; S133-S136 VanDerWaalsContact O-OG 3.05Å; S136-Q139 WeakPolarHBondContact O-CB 3.49Å; S136-Q139 PolarHBondContact O-N 2.97Å; S136-A140 PolarHBondContact O-N 3.22Å
137	L	98.8	Very high	98.5	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-37.9	-179.8	-67.2	173.2	0	0	0	112.2	A33 L36 M40 V62 N72 S133 Q139 A140 V141	A33-L137 HydrophobicContact CB-CD1 4.32Å; L36-L137 HydrophobicContact CB-CD1 4.36Å; L36-L137 HydrophobicContact CB-CD2 3.83Å; L36-L137 HydrophobicContact CD1-CD1 4.36Å; M40-L137 WeakPolarHBondContact CB-O 3.4Å; M40-L137 HydrophobicContact CE-CB 4.05Å; M40-L137 HydrophobicContact CE-CD1 4.01Å; M40-L137 HydrophobicContact CE-CD2 4.33Å; M40-L137 HydrophobicContact CE-CG 4.34Å; M40-L137 HydrophobicContact CG-CB 3.82Å; M40-L137 HydrophobicContact CG-CD2 3.65Å; M40-L137 HydrophobicContact CG-CG 4.25Å; M40-L137 HydrophobicContact SD-CB 4.11Å; V62-L137 HydrophobicContact CG1-CB 3.97Å; N72-L137 HydrophobicContact CB-CD1 3.59Å; S133-L137 WeakPolarHBondContact O-CB 3.36Å; S133-L137 VanDerWaalsContact O-CG 3.26Å; S133-L137 WeakPolarHBondContact O-CG 3.42Å; S133-L137 PolarHBondContact O-N 3.02Å; L137-Q139 VanDerWaalsContact C-N 3.27Å; L137-Q139 PolarHBondContact O-N 3.24Å; L137-A140 PolarHBondContact O-N 2.87Å; L137-V141 PolarHBondContact O-N 3.15Å
138	S	98.7	Very high	98.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-36.8	171.3	67	0	0	0	0	111.8	K128 S134 S135 V141 L142	K128-S138 PolarHBondContact NZ-OG 2.93Å; S134-S138 VanDerWaalsContact O-CB 3.25Å; S134-S138 WeakPolarHBondContact O-CB 3.39Å; S134-S138 PolarHBondContact O-N 2.88Å; S134-S138 PolarHBondContact O-OG 3.08Å; S134-S138 VanDerWaalsContact O-OG 3.12Å; S135-S138 PolarHBondContact O-OG 2.97Å; S138-V141 WeakPolarHBondContact O-CB 3.29Å; S138-V141 PolarHBondContact O-N 3.34Å; S138-L142 WeakPolarHBondContact O-CG 3.49Å; S138-L142 PolarHBondContact O-N 3.26Å; S138-L142 VanDerWaalsContact O-N 3.09Å
139	Q	98.8	Very high	98.3	Very high	92 Å²	92	32.8 Å²	32.8	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-63.6	-44.1	176.3	-173.3	58.4	53.1	0	0	111.4	S135 S136 L137 V141 L142 D143	S135-Q139 PolarHBondContact O-N 2.9Å; S136-Q139 WeakPolarHBondContact O-CB 3.49Å; S136-Q139 PolarHBondContact O-N 2.97Å; L137-Q139 VanDerWaalsContact C-N 3.27Å; L137-Q139 PolarHBondContact O-N 3.24Å; Q139-V141 VanDerWaalsContact C-N 3.29Å; Q139-V141 PolarHBondContact O-N 2.9Å; Q139-L142 WeakPolarHBondContact O-CA 3.31Å; Q139-L142 WeakPolarHBondContact O-CB 3.39Å; Q139-L142 PolarHBondContact O-N 3.21Å; Q139-D143 PolarHBondContact NE2-OD1 3.33Å; Q139-D143 VanDerWaalsContact O-CG 3.22Å; Q139-D143 PolarHBondContact O-N 3.47Å
140	A	98.8	Very high	98.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-39.9	175.5	0	0	0	0	0	112.2	M40 F41 S136 L137 D143 G144	M40-A140 HydrophobicContact CB-CB 3.67Å; F41-A140 VanDerWaalsContact CA-O 3.24Å; F41-A140 WeakPolarHBondContact CA-O 3.47Å; S136-A140 PolarHBondContact O-N 3.22Å; L137-A140 PolarHBondContact O-N 2.87Å; A140-D143 PolarHBondContact O-N 2.69Å; A140-G144 PolarHBondContact O-N 2.91Å
141	V	98.9	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-49.5	171.8	176.5	0	0	0	0	111	M40 G44 V60 V62 V126 L137 S138 Q139 D143 G144 V145	M40-V141 HydrophobicContact CB-CG2 3.87Å; M40-V141 HydrophobicContact CG-CG2 4.45Å; M40-V141 WeakPolarHBondContact O-CA 3.41Å; M40-V141 HydrophobicContact SD-CG2 3.96Å; G44-V141 WeakPolarHBondContact CA-O 3.28Å; V60-V141 HydrophobicContact CB-CG1 4.04Å; V60-V141 HydrophobicContact CG1-CG1 3.78Å; V60-V141 HydrophobicContact CG1-CG2 4.05Å; V60-V141 HydrophobicContact CG2-CG1 4.02Å; V62-V141 HydrophobicContact CG2-CG2 4.2Å; V126-V141 HydrophobicContact CG1-CG1 4.37Å; V126-V141 HydrophobicContact CG2-CG1 3.91Å; L137-V141 PolarHBondContact O-N 3.15Å; S138-V141 WeakPolarHBondContact O-CB 3.29Å; S138-V141 PolarHBondContact O-N 3.34Å; Q139-V141 VanDerWaalsContact C-N 3.29Å; Q139-V141 PolarHBondContact O-N 2.9Å; V141-D143 VanDerWaalsContact C-N 3.31Å; V141-D143 PolarHBondContact O-N 3.48Å; V141-G144 PolarHBondContact O-N 3.16Å; V141-V145 HydrophobicContact CG1-CG2 4.47Å; V141-V145 WeakPolarHBondContact O-CG2 3.47Å; V141-V145 PolarHBondContact O-N 3.39Å
142	L	98.8	Very high	98.3	Very high	18 Å²	18	38.6 Å²	38.6	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-39.3	-179.6	-65.2	170.7	0	0	0	111.9	V126 S138 Q139 G144 V145 K146 D154	V126-L142 HydrophobicContact CB-CD2 4.19Å; V126-L142 HydrophobicContact CG2-CD2 3.72Å; V126-L142 HydrophobicContact CG2-CG 4.49Å; S138-L142 WeakPolarHBondContact O-CG 3.49Å; S138-L142 PolarHBondContact O-N 3.26Å; S138-L142 VanDerWaalsContact O-N 3.09Å; Q139-L142 WeakPolarHBondContact O-CA 3.31Å; Q139-L142 WeakPolarHBondContact O-CB 3.39Å; Q139-L142 PolarHBondContact O-N 3.21Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.23Å; L142-V145 PolarHBondContact O-N 3.04Å; L142-K146 WeakPolarHBondContact O-CB 3.34Å; L142-K146 PolarHBondContact O-N 3.49Å; L142-D154 HydrophobicContact CD1-CB 4.41Å
143	D	98.7	Very high	98.4	Very high	34 Å²	34	37.6 Å²	37.6	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-41.8	176.1	-64	-24.8	0	0	0	110.7	H14 F41 Q139 A140 V141 K146 A147	H14-D143 IonicContact CE1-OD2 3.82Å; H14-D143 IonicContact NE2-OD2 2.83Å; F41-D143 HydrophobicContact CD2-CB 4.23Å; Q139-D143 PolarHBondContact NE2-OD1 3.33Å; Q139-D143 VanDerWaalsContact O-CG 3.22Å; Q139-D143 PolarHBondContact O-N 3.47Å; A140-D143 PolarHBondContact O-N 2.69Å; V141-D143 VanDerWaalsContact C-N 3.31Å; V141-D143 PolarHBondContact O-N 3.48Å; D143-K146 PolarHBondContact O-N 2.9Å; D143-A147 WeakPolarHBondContact O-CB 3.34Å; D143-A147 PolarHBondContact O-N 3.41Å
144	G	98.6	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-47.1	172.6	0	0	0	0	0	113.1	F41 L45 A140 V141 L142 K146 A147 L148	F41-G144 VanDerWaalsContact CD2-CA 3.44Å; F41-G144 VanDerWaalsContact CD2-N 3.35Å; F41-G144 VanDerWaalsContact CE2-CA 3.47Å; F41-G144 WeakPolarHBondContact O-CA 3.49Å; L45-G144 WeakPolarHBondContact CD2-O 3.21Å; A140-G144 PolarHBondContact O-N 2.91Å; V141-G144 PolarHBondContact O-N 3.16Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.23Å; G144-K146 PolarHBondContact O-N 3.12Å; G144-A147 PolarHBondContact O-N 3.44Å; G144-L148 PolarHBondContact O-N 2.87Å
145	V	98.8	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-48.9	177.5	174.1	0	0	0	0	110.8	T48 V124 V141 L142 A147 L148 G149 G150	T48-V145 WeakPolarHBondContact OG1-CA 3.47Å; V124-V145 HydrophobicContact CB-CG1 4.1Å; V124-V145 HydrophobicContact CB-CG2 3.91Å; V124-V145 HydrophobicContact CG1-CG2 3.87Å; V124-V145 HydrophobicContact CG2-CG1 4.06Å; V124-V145 HydrophobicContact CG2-CG2 4.01Å; V141-V145 HydrophobicContact CG1-CG2 4.47Å; V141-V145 WeakPolarHBondContact O-CG2 3.47Å; V141-V145 PolarHBondContact O-N 3.39Å; L142-V145 PolarHBondContact O-N 3.04Å; V145-A147 PolarHBondContact O-N 3.4Å; V145-L148 PolarHBondContact O-N 2.82Å; V145-G149 PolarHBondContact O-N 3.21Å; V145-G150 PolarHBondContact O-N 3.3Å
146	K	98.3	Very high	98.4	Very high	154 Å²	154	39.4 Å²	39.4	67%	0.67	22%	0.22	S	C	*	.	H	α-helix	trans	-64.1	-41	-179.6	-176.8	-179.1	176.9	-174.8	0	112.3	L142 D143 G144 L148 G149	L142-K146 WeakPolarHBondContact O-CB 3.34Å; L142-K146 PolarHBondContact O-N 3.49Å; D143-K146 PolarHBondContact O-N 2.9Å; G144-K146 PolarHBondContact O-N 3.12Å; K146-L148 PolarHBondContact O-N 2.86Å; K146-G149 PolarHBondContact O-N 2.95Å
147	A	97.9	Very high	98.4	Very high	6 Å²	6	39.6 Å²	39.6	5%	0.05	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-30.6	-177.8	0	0	0	0	0	112.8	V7 Q10 F41 L45 D143 G144 V145	V7-A147 HydrophobicContact CG2-CB 4.2Å; V7-A147 WeakPolarHBondContact CG2-O 3.42Å; Q10-A147 HydrophobicContact CB-CB 4.07Å; Q10-A147 HydrophobicContact CG-CB 4.01Å; F41-A147 HydrophobicContact CE2-CB 4.08Å; F41-A147 HydrophobicContact CZ-CB 4.22Å; L45-A147 HydrophobicContact CD2-CB 4.3Å; D143-A147 WeakPolarHBondContact O-CB 3.34Å; D143-A147 PolarHBondContact O-N 3.41Å; G144-A147 PolarHBondContact O-N 3.44Å; V145-A147 PolarHBondContact O-N 3.4Å
148	L	97.4	Very high	98.4	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13.7	176.1	-161	62.1	0	0	0	113.3	F4 V7 L45 T48 L49 M118 G144 V145 K146	F4-L148 HydrophobicContact CD1-CD1 4.29Å; F4-L148 HydrophobicContact CE1-CD1 3.9Å; V7-L148 HydrophobicContact CG2-CB 4.42Å; V7-L148 HydrophobicContact CG2-CD1 3.95Å; L45-L148 HydrophobicContact CB-CD2 4.49Å; L45-L148 HydrophobicContact CD2-CB 3.81Å; L45-L148 HydrophobicContact CD2-CD2 4.4Å; T48-L148 HydrophobicContact CG2-CB 3.97Å; T48-L148 HydrophobicContact CG2-CD2 3.99Å; T48-L148 HydrophobicContact CG2-CG 4.05Å; L49-L148 HydrophobicContact CD2-CD2 3.64Å; L49-L148 HydrophobicContact CG-CD2 3.74Å; M118-L148 HydrophobicContact CE-CD1 4.01Å; M118-L148 HydrophobicContact CE-CG 4.26Å; G144-L148 PolarHBondContact O-N 2.87Å; V145-L148 PolarHBondContact O-N 2.82Å; K146-L148 PolarHBondContact O-N 2.86Å
149	G	96.6	Very high	98.4	Very high	49 Å²	49	39.3 Å²	39.3	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	26.1	175.6	0	0	0	0	0	114.6	V145 K146	V145-G149 PolarHBondContact O-N 3.21Å; K146-G149 PolarHBondContact O-N 2.95Å
150	G	97.6	Very high	98.4	Very high	10 Å²	10	35 Å²	35	10%	0.103	19%	0.193	C	C	.	.			trans	-83.7	153.8	171.3	0	0	0	0	0	112.7	V145	V145-G150 PolarHBondContact O-N 3.3Å
151	H	98.4	Very high	98.4	Very high	106 Å²	106	35 Å²	35	49%	0.491	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.5	168.2	-61.6	-67.6	0	0	0	109.8	E121 A122 N123 V124	E121-H151 IonicContact OE1-CD2 2.7Å; E121-H151 PolarHBondContact OE1-CD2 3.09Å; A122-H151 PolarHBondContact O-N 3.19Å; N123-H151 CarbonylContact C-O 3.55Å; N123-H151 WeakPolarHBondContact CA-O 3.43Å; V124-H151 PolarHBondContact N-O 3.32Å
152	S	98.2	Very high	98.4	Very high	62 Å²	62	35 Å²	35	43%	0.434	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.1	179.6	59.7	0	0	0	0	112.2	V124	V124-S152 CarbonylContact O-C 3.56Å; V124-S152 WeakPolarHBondContact O-CA 3.28Å
153	K	98.4	Very high	98.4	Very high	87 Å²	87	34.1 Å²	34.1	38%	0.378	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116	164.3	-176.2	177.6	177.5	-175.3	0	108.9	V124 Y125 V126 Y155	V124-K153 PolarHBondContact O-N 3.49Å; Y125-K153 WeakPolarHBondContact CA-O 3.16Å; Y125-K153 HydrophobicContact CD1-CB 3.59Å; Y125-K153 HydrophobicContact CD1-CD 4.34Å; Y125-K153 HydrophobicContact CD1-CG 4.47Å; Y125-K153 HydrophobicContact CE1-CB 3.64Å; Y125-K153 HydrophobicContact CE1-CD 3.8Å; Y125-K153 HydrophobicContact CE1-CG 4.33Å; Y125-K153 HydrophobicContact CG-CB 4.49Å; V126-K153 PolarHBondContact N-O 3.34Å; K153-Y155 HydrophobicContact CB-CE2 4.4Å; K153-Y155 HydrophobicContact CD-CD2 4.38Å; K153-Y155 HydrophobicContact CD-CE1 4.49Å; K153-Y155 HydrophobicContact CD-CE2 3.56Å; K153-Y155 WeakPolarHBondContact CE-OH 3.46Å; K153-Y155 HydrophobicContact CG-CD2 4.2Å; K153-Y155 HydrophobicContact CG-CE2 3.83Å; K153-Y155 PolarHBondContact NZ-OH 2.94Å
154	D	98.4	Very high	98.4	Very high	76 Å²	76	32.5 Å²	32.5	41%	0.406	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.9	174.9	-173.3	4.5	0	0	0	109.5	L142 G156	L142-D154 HydrophobicContact CD1-CB 4.41Å; D154-G156 WeakPolarHBondContact OD1-CA 3.48Å; D154-G156 PolarHBondContact OD1-N 3.21Å
155	Y	98.5	Very high	98.4	Very high	35 Å²	35	32.7 Å²	32.7	14%	0.137	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-6.9	174.3	-79.1	-89.2	0	0	0	112.5	Y125 V126 K153 M163 M166 A179	Y125-Y155 HydrophobicContact CD1-CE2 4.19Å; Y125-Y155 HydrophobicContact CD2-CD2 4.38Å; Y125-Y155 AromaticContact CD2-CE2 3.42Å; Y125-Y155 HydrophobicContact CD2-CE2 3.42Å; Y125-Y155 VanDerWaalsContact CD2-CE2 3.42Å; Y125-Y155 HydrophobicContact CE1-CE2 4.46Å; Y125-Y155 AromaticContact CE2-CE2 3.72Å; Y125-Y155 HydrophobicContact CE2-CE2 3.72Å; Y125-Y155 AromaticContact CE2-CZ 3.95Å; Y125-Y155 VanDerWaalsContact CE2-OH 3.28Å; Y125-Y155 WeakPolarHBondContact CE2-OH 3.25Å; Y125-Y155 HydrophobicContact CG-CD2 4.33Å; Y125-Y155 AromaticContact CG-CE2 3.65Å; Y125-Y155 HydrophobicContact CG-CE2 3.65Å; V126-Y155 PolarHBondContact O-N 2.95Å; K153-Y155 HydrophobicContact CB-CE2 4.4Å; K153-Y155 HydrophobicContact CD-CD2 4.38Å; K153-Y155 HydrophobicContact CD-CE1 4.49Å; K153-Y155 HydrophobicContact CD-CE2 3.56Å; K153-Y155 WeakPolarHBondContact CE-OH 3.46Å; K153-Y155 HydrophobicContact CG-CD2 4.2Å; K153-Y155 HydrophobicContact CG-CE2 3.83Å; K153-Y155 PolarHBondContact NZ-OH 2.94Å; Y155-M163 HydrophobicContact CD2-SD 4.14Å; Y155-M166 HydrophobicContact CD1-CE 3.76Å; Y155-M166 HydrophobicContact CD1-SD 3.23Å; Y155-M166 WeakPolarHBondContact CD1-SD 3.22Å; Y155-M166 HydrophobicContact CD2-CE 4.31Å; Y155-M166 HydrophobicContact CD2-SD 4.44Å; Y155-M166 HydrophobicContact CE1-CB 4.45Å; Y155-M166 HydrophobicContact CE1-CE 4.15Å; Y155-M166 HydrophobicContact CE1-CG 4.18Å; Y155-M166 HydrophobicContact CE1-SD 3.13Å; Y155-M166 WeakPolarHBondContact CE1-SD 3.42Å; Y155-M166 HydrophobicContact CE2-SD 4.39Å; Y155-M166 HydrophobicContact CG-CE 3.81Å; Y155-M166 HydrophobicContact CG-SD 3.89Å; Y155-A179 PolarHBondContact OH-O 3.43Å
156	G	98.4	Very high	98.4	Very high	18 Å²	18	32.7 Å²	32.7	19%	0.186	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65	-132.9	179.8	0	0	0	0	0	112.2	K128 D154 V158	K128-G156 WeakPolarHBondContact CG-O 3.27Å; K128-G156 PolarHBondContact N-O 3.42Å; D154-G156 WeakPolarHBondContact OD1-CA 3.48Å; D154-G156 PolarHBondContact OD1-N 3.21Å; G156-V158 PolarHBondContact O-N 3.08Å
157	L	98.7	Very high	98.4	Very high	75 Å²	75	25.3 Å²	25.3	39%	0.393	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	111.2	-177.7	-70.7	177.7	0	0	0	110.7	K128 D129 T130 I217 K221	K128-L157 HydrophobicContact CG-CD2 4.34Å; K128-L157 WeakPolarHBondContact O-CA 3.25Å; D129-L157 WeakPolarHBondContact O-CD2 3.29Å; T130-L157 HydrophobicContact CG2-CD2 4.32Å; L157-I217 HydrophobicContact CB-CD1 3.77Å; L157-I217 HydrophobicContact CD2-CD1 4.4Å; L157-K221 WeakPolarHBondContact O-CE 3.4Å; L157-K221 PolarHBondContact O-NZ 3.19Å
158	V	98.8	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.			trans	-147.1	155	179	-68.7	0	0	0	0	110.5	M61 K128 G156 Q162 M163 M166 V181	M61-V158 VanDerWaalsContact CE-O 3.32Å; M61-V158 WeakPolarHBondContact CE-O 3.34Å; M61-V158 HydrophobicContact SD-CG2 4.36Å; K128-V158 PolarHBondContact O-N 3.07Å; K128-V158 VanDerWaalsContact O-N 3.1Å; G156-V158 PolarHBondContact O-N 3.08Å; V158-Q162 HydrophobicContact CB-CB 4.07Å; V158-M163 HydrophobicContact CG2-CB 4.5Å; V158-M163 HydrophobicContact CG2-CG 3.77Å; V158-M163 HydrophobicContact CG2-SD 4.46Å; V158-M166 HydrophobicContact CB-CE 4.37Å; V158-M166 HydrophobicContact CG1-CE 4.01Å; V158-M166 HydrophobicContact CG2-CE 4.36Å; V158-V181 HydrophobicContact CG1-CG2 3.9Å
159	T	98.9	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.			trans	-69.2	160.3	169.8	71.1	0	0	0	0	110.4	P161 Q162 M163 I217 K221 D280 A281 I424	T159-P161 WeakPolarHBondContact OG1-CD 3.41Å; T159-Q162 PolarHBondContact O-N 3.01Å; T159-Q162 WeakPolarHBondContact OG1-CB 3.46Å; T159-Q162 VanDerWaalsContact OG1-CG 3.26Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.38Å; T159-Q162 PolarHBondContact OG1-N 3.31Å; T159-Q162 VanDerWaalsContact OG1-N 3.11Å; T159-M163 PolarHBondContact O-N 3.44Å; T159-I217 HydrophobicContact CG2-CG2 4.26Å; T159-K221 HydrophobicContact CG2-CB 3.89Å; T159-K221 HydrophobicContact CG2-CG 3.81Å; T159-D280 WeakPolarHBondContact CB-O 3.48Å; T159-A281 HydrophobicContact CG2-CB 3.93Å; T159-I424 HydrophobicContact CG2-CD1 4.22Å
160	T	98.8	Very high	98.6	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-54.7	-50	171.4	-76.3	0	0	0	0	110.8	M61 Q162 M163 H164 D280 D282	M61-T160 WeakPolarHBondContact CG-OG1 3.37Å; T160-Q162 VanDerWaalsContact C-N 3.34Å; T160-Q162 PolarHBondContact O-N 2.96Å; T160-M163 WeakPolarHBondContact O-CB 3.2Å; T160-M163 PolarHBondContact O-N 3.39Å; T160-H164 PolarHBondContact O-CD2 3.44Å; T160-H164 PolarHBondContact O-N 3.41Å; T160-D280 WeakPolarHBondContact CB-OD2 3.31Å; T160-D280 PolarHBondContact N-O 2.96Å; T160-D280 VanDerWaalsContact N-O 3.08Å; T160-D280 PolarHBondContact OG1-OD2 3.45Å; T160-D282 HydrophobicContact CG2-CB 4.28Å
161	P	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-35.2	179.4	-24.6	32.6	0	0	0	115.3	T159 M163 H164 Y165 A281 D282 V420 G421 D422	T159-P161 WeakPolarHBondContact OG1-CD 3.41Å; P161-M163 VanDerWaalsContact C-N 3.29Å; P161-M163 PolarHBondContact O-N 2.87Å; P161-H164 PolarHBondContact O-N 2.9Å; P161-Y165 WeakPolarHBondContact O-CB 3.49Å; P161-Y165 PolarHBondContact O-N 3.07Å; P161-A281 WeakPolarHBondContact CG-O 3.38Å; P161-D282 HydrophobicContact CG-CB 4.34Å; P161-V420 HydrophobicContact CB-CG1 4.11Å; P161-V420 HydrophobicContact CG-CG1 4.41Å; P161-G421 WeakPolarHBondContact CG-O 3.42Å; P161-D422 HydrophobicContact CB-CB 3.58Å; P161-D422 VanDerWaalsContact CB-OD2 3.22Å; P161-D422 WeakPolarHBondContact CB-OD2 3.36Å; P161-D422 HydrophobicContact CG-CB 3.8Å
162	Q	98.9	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.6	-42.7	173.9	-79.9	176.2	-25.8	0	0	110.7	V158 T159 T160 Y165 M166 Y184 Y185	V158-Q162 HydrophobicContact CB-CB 4.07Å; T159-Q162 PolarHBondContact O-N 3.01Å; T159-Q162 WeakPolarHBondContact OG1-CB 3.46Å; T159-Q162 VanDerWaalsContact OG1-CG 3.26Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.38Å; T159-Q162 PolarHBondContact OG1-N 3.31Å; T159-Q162 VanDerWaalsContact OG1-N 3.11Å; T160-Q162 VanDerWaalsContact C-N 3.34Å; T160-Q162 PolarHBondContact O-N 2.96Å; Q162-Y165 PolarHBondContact O-N 2.87Å; Q162-M166 VanDerWaalsContact C-CE 3.47Å; Q162-M166 HydrophobicContact CB-CE 4.22Å; Q162-M166 WeakPolarHBondContact O-CE 3.31Å; Q162-M166 VanDerWaalsContact O-CG 3.27Å; Q162-M166 WeakPolarHBondContact O-CG 3.39Å; Q162-M166 PolarHBondContact O-N 3.01Å; Q162-Y184 HydrophobicContact CG-CD1 3.75Å; Q162-Y184 HydrophobicContact CG-CD2 4.1Å; Q162-Y184 HydrophobicContact CG-CE1 3.75Å; Q162-Y184 HydrophobicContact CG-CE2 4.08Å; Q162-Y184 HydrophobicContact CG-CG 3.92Å; Q162-Y185 VanDerWaalsContact NE2-CE1 3.32Å; Q162-Y185 PolarHBondContact NE2-OH 3.39Å
163	M	98.8	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-47.2	176.5	-109.2	-37.4	-61.4	0	0	112.1	M61 I77 Y155 V158 T159 T160 P161 Y165 M166 V167	M61-M163 HydrophobicContact SD-CB 4.08Å; M61-M163 HydrophobicContact SD-CG 3.8Å; I77-M163 HydrophobicContact CD1-CB 3.86Å; I77-M163 HydrophobicContact CD1-CE 4.29Å; Y155-M163 HydrophobicContact CD2-SD 4.14Å; V158-M163 HydrophobicContact CG2-CB 4.5Å; V158-M163 HydrophobicContact CG2-CG 3.77Å; V158-M163 HydrophobicContact CG2-SD 4.46Å; T159-M163 PolarHBondContact O-N 3.44Å; T160-M163 WeakPolarHBondContact O-CB 3.2Å; T160-M163 PolarHBondContact O-N 3.39Å; P161-M163 VanDerWaalsContact C-N 3.29Å; P161-M163 PolarHBondContact O-N 2.87Å; M163-Y165 VanDerWaalsContact C-N 3.34Å; M163-Y165 PolarHBondContact O-N 3.2Å; M163-M166 HydrophobicContact CG-CE 4.41Å; M163-M166 PolarHBondContact O-N 3.03Å; M163-M166 HydrophobicContact SD-CE 3.75Å; M163-V167 HydrophobicContact CE-CG2 3.5Å; M163-V167 WeakPolarHBondContact O-CG2 3.44Å; M163-V167 PolarHBondContact O-N 2.85Å; M163-V167 VanDerWaalsContact O-N 3.14Å
164	H	98.8	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-42.9	177.8	-75.1	-118	0	0	0	111.9	I77 G81 T160 P161 M166 V167 C168 T419 V420	I77-H164 WeakPolarHBondContact CD1-CD2 3.28Å; G81-H164 PolarHBondContact O-ND1 3.24Å; T160-H164 PolarHBondContact O-CD2 3.44Å; T160-H164 PolarHBondContact O-N 3.41Å; P161-H164 PolarHBondContact O-N 2.9Å; H164-M166 PolarHBondContact O-N 3.46Å; H164-V167 PolarHBondContact O-N 2.69Å; H164-C168 PolarHBondContact O-N 2.96Å; H164-C168 VanDerWaalsContact O-N 3.07Å; H164-T419 WeakPolarHBondContact CB-OG1 3.32Å; H164-V420 HydrophobicContact CB-CB 4.31Å; H164-V420 HydrophobicContact CB-CG1 3.58Å; H164-V420 VanDerWaalsContact CG-CG1 3.49Å
165	Y	98.8	Very high	98.1	Very high	4 Å²	4	36 Å²	36	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-49.8	174.8	169.2	-92.5	0	0	0	111.9	P161 Q162 M163 V167 C168 C169 Y176 G177 E178 G183 Y184 K187	P161-Y165 WeakPolarHBondContact O-CB 3.49Å; P161-Y165 PolarHBondContact O-N 3.07Å; Q162-Y165 PolarHBondContact O-N 2.87Å; M163-Y165 VanDerWaalsContact C-N 3.34Å; M163-Y165 PolarHBondContact O-N 3.2Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.05Å; Y165-C168 PolarHBondContact O-N 2.81Å; Y165-C169 WeakPolarHBondContact CE2-SG 3.4Å; Y165-C169 WeakPolarHBondContact O-CB 3.31Å; Y165-C169 PolarHBondContact O-N 2.82Å; Y165-C169 PolarHBondContact O-SG 3.45Å; Y165-Y176 AromaticContact CD2-CD1 3.99Å; Y165-Y176 HydrophobicContact CD2-CD1 3.99Å; Y165-Y176 AromaticContact CD2-CE1 3.65Å; Y165-Y176 HydrophobicContact CD2-CE1 3.65Å; Y165-Y176 HydrophobicContact CE2-CD1 4.13Å; Y165-Y176 HydrophobicContact CE2-CE1 4.12Å; Y165-G177 WeakPolarHBondContact OH-CA 3.42Å; Y165-E178 WeakPolarHBondContact CE1-O 3.3Å; Y165-E178 PolarHBondContact OH-N 2.68Å; Y165-E178 VanDerWaalsContact OH-N 3.16Å; Y165-E178 PolarHBondContact OH-O 2.93Å; Y165-G183 PolarHBondContact OH-O 2.89Å; Y165-Y184 AromaticContact CD1-CD2 3.98Å; Y165-Y184 HydrophobicContact CD1-CD2 3.98Å; Y165-Y184 HydrophobicContact CD1-CG 4.33Å; Y165-Y184 HydrophobicContact CD2-CD2 4.16Å; Y165-Y184 AromaticContact CG-CD2 3.79Å; Y165-Y184 HydrophobicContact CG-CD2 3.79Å; Y165-K187 HydrophobicContact CE2-CD 3.68Å
166	M	98.8	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-34.8	-175.7	-66.4	174.9	-63.8	0	0	112.5	Y155 V158 Q162 M163 H164 Q170 V181	Y155-M166 HydrophobicContact CD1-CE 3.76Å; Y155-M166 HydrophobicContact CD1-SD 3.23Å; Y155-M166 WeakPolarHBondContact CD1-SD 3.22Å; Y155-M166 HydrophobicContact CD2-CE 4.31Å; Y155-M166 HydrophobicContact CD2-SD 4.44Å; Y155-M166 HydrophobicContact CE1-CB 4.45Å; Y155-M166 HydrophobicContact CE1-CE 4.15Å; Y155-M166 HydrophobicContact CE1-CG 4.18Å; Y155-M166 HydrophobicContact CE1-SD 3.13Å; Y155-M166 WeakPolarHBondContact CE1-SD 3.42Å; Y155-M166 HydrophobicContact CE2-SD 4.39Å; Y155-M166 HydrophobicContact CG-CE 3.81Å; Y155-M166 HydrophobicContact CG-SD 3.89Å; V158-M166 HydrophobicContact CB-CE 4.37Å; V158-M166 HydrophobicContact CG1-CE 4.01Å; V158-M166 HydrophobicContact CG2-CE 4.36Å; Q162-M166 VanDerWaalsContact C-CE 3.47Å; Q162-M166 HydrophobicContact CB-CE 4.22Å; Q162-M166 WeakPolarHBondContact O-CE 3.31Å; Q162-M166 VanDerWaalsContact O-CG 3.27Å; Q162-M166 WeakPolarHBondContact O-CG 3.39Å; Q162-M166 PolarHBondContact O-N 3.01Å; M163-M166 HydrophobicContact CG-CE 4.41Å; M163-M166 PolarHBondContact O-N 3.03Å; M163-M166 HydrophobicContact SD-CE 3.75Å; H164-M166 PolarHBondContact O-N 3.46Å; M166-Q170 WeakPolarHBondContact O-CB 3.3Å; M166-Q170 PolarHBondContact O-N 2.66Å; M166-Q170 VanDerWaalsContact O-N 3.09Å; M166-V181 HydrophobicContact SD-CG2 3.99Å
167	V	98.8	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-50.2	173.1	173.7	0	0	0	0	110.6	I77 D78 Y125 M163 H164 Y165 C169 Q170 N171	I77-V167 HydrophobicContact CG2-CB 4.29Å; I77-V167 HydrophobicContact CG2-CG1 4.22Å; I77-V167 HydrophobicContact CG2-CG2 4.31Å; D78-V167 WeakPolarHBondContact O-CG1 3.3Å; Y125-V167 HydrophobicContact CD2-CG2 4.35Å; M163-V167 HydrophobicContact CE-CG2 3.5Å; M163-V167 WeakPolarHBondContact O-CG2 3.44Å; M163-V167 PolarHBondContact O-N 2.85Å; M163-V167 VanDerWaalsContact O-N 3.14Å; H164-V167 PolarHBondContact O-N 2.69Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.05Å; V167-C169 PolarHBondContact O-N 3.07Å; V167-Q170 PolarHBondContact O-N 2.93Å; V167-N171 PolarHBondContact O-N 2.78Å; V167-N171 VanDerWaalsContact O-N 3.09Å; V167-N171 PolarHBondContact O-ND2 2.91Å; V167-N171 VanDerWaalsContact O-ND2 3.12Å
168	C	98.6	Very high	98	Very high	8 Å²	8	38.2 Å²	38.2	5%	0.054	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-46.5	178.9	-173.8	0	0	0	0	111.8	M80 H164 Y165 Q170 N171 T172 Y176 T419	M80-C168 WeakPolarHBondContact O-CB 3.4Å; M80-C168 PolarHBondContact O-SG 3.46Å; H164-C168 PolarHBondContact O-N 2.96Å; H164-C168 VanDerWaalsContact O-N 3.07Å; Y165-C168 PolarHBondContact O-N 2.81Å; C168-Q170 VanDerWaalsContact C-N 3.34Å; C168-Q170 PolarHBondContact O-N 3.29Å; C168-N171 PolarHBondContact O-N 3.07Å; C168-T172 WeakPolarHBondContact O-CB 3.32Å; C168-T172 VanDerWaalsContact O-CG2 3.27Å; C168-T172 WeakPolarHBondContact O-CG2 3.18Å; C168-T172 PolarHBondContact O-N 2.83Å; C168-T172 PolarHBondContact O-OG1 2.98Å; C168-Y176 HydrophobicContact CB-CD1 4.06Å; C168-Y176 HydrophobicContact CB-CE1 4.44Å; C168-T419 HydrophobicContact CB-CG2 3.57Å
169	C	98.6	Very high	97.9	Very high	2 Å²	2	39 Å²	39	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-43.5	177.2	-72.8	0	0	0	0	112.8	Y165 V167 T172 R173 G174 G177 A179	Y165-C169 WeakPolarHBondContact CE2-SG 3.4Å; Y165-C169 WeakPolarHBondContact O-CB 3.31Å; Y165-C169 PolarHBondContact O-N 2.82Å; Y165-C169 PolarHBondContact O-SG 3.45Å; V167-C169 PolarHBondContact O-N 3.07Å; C169-T172 PolarHBondContact O-OG1 2.82Å; C169-R173 PolarHBondContact O-N 2.8Å; C169-G174 PolarHBondContact O-N 2.93Å; C169-G177 WeakPolarHBondContact CB-O 3.43Å; C169-G177 PolarHBondContact SG-O 3.41Å; C169-A179 HydrophobicContact CB-CB 3.7Å
170	Q	98.4	Very high	97.9	Very high	82 Å²	82	40.9 Å²	40.9	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-46.4	178.9	177.4	59.9	25.9	0	0	111.3	T57 Y125 M166 V167 C168 R173 A179	T57-Q170 HydrophobicContact CG2-CG 4.32Å; T57-Q170 WeakPolarHBondContact OG1-CG 3.44Å; Y125-Q170 HydrophobicContact CE2-CB 3.83Å; Y125-Q170 HydrophobicContact CE2-CG 4.03Å; Y125-Q170 VanDerWaalsContact OH-CD 3.3Å; Y125-Q170 WeakPolarHBondContact OH-CG 3.21Å; Y125-Q170 PolarHBondContact OH-OE1 2.85Å; M166-Q170 WeakPolarHBondContact O-CB 3.3Å; M166-Q170 PolarHBondContact O-N 2.66Å; M166-Q170 VanDerWaalsContact O-N 3.09Å; V167-Q170 PolarHBondContact O-N 2.93Å; C168-Q170 VanDerWaalsContact C-N 3.34Å; C168-Q170 PolarHBondContact O-N 3.29Å; Q170-R173 PolarHBondContact O-N 3.44Å; Q170-A179 HydrophobicContact CB-CB 4.15Å
171	N	98.6	Very high	97.9	Very high	33 Å²	33	42.2 Å²	42.2	18%	0.176	21%	0.211	C	C	.	.	H	α-helix	trans	-77.2	-27	-175.7	-69.4	-43.5	0	0	0	113.3	A56 T57 P79 M80 V167 C168 R173	A56-N171 WeakPolarHBondContact CB-OD1 3.04Å; T57-N171 WeakPolarHBondContact CB-OD1 3.4Å; T57-N171 PolarHBondContact N-OD1 3.39Å; T57-N171 PolarHBondContact O-ND2 3.09Å; P79-N171 VanDerWaalsContact CA-ND2 3.3Å; P79-N171 WeakPolarHBondContact CA-ND2 3.32Å; P79-N171 HydrophobicContact CB-CB 4.43Å; P79-N171 VanDerWaalsContact O-CB 3.31Å; P79-N171 WeakPolarHBondContact O-CB 3.49Å; P79-N171 PolarHBondContact O-ND2 3.2Å; M80-N171 HydrophobicContact CE-CB 3.83Å; V167-N171 PolarHBondContact O-N 2.78Å; V167-N171 VanDerWaalsContact O-N 3.09Å; V167-N171 PolarHBondContact O-ND2 2.91Å; V167-N171 VanDerWaalsContact O-ND2 3.12Å; C168-N171 PolarHBondContact O-N 3.07Å; N171-R173 PolarHBondContact O-N 2.65Å
172	T	97.8	Very high	97.8	Very high	36 Å²	36	46.6 Å²	46.6	22%	0.221	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.7	171.7	61.6	0	0	0	0	113.1	M80 C168 C169 G174 K175 Y176	M80-T172 HydrophobicContact SD-CG2 4.07Å; C168-T172 WeakPolarHBondContact O-CB 3.32Å; C168-T172 VanDerWaalsContact O-CG2 3.27Å; C168-T172 WeakPolarHBondContact O-CG2 3.18Å; C168-T172 PolarHBondContact O-N 2.83Å; C168-T172 PolarHBondContact O-OG1 2.98Å; C169-T172 PolarHBondContact O-OG1 2.82Å; T172-G174 PolarHBondContact O-N 2.78Å; T172-K175 VanDerWaalsContact O-CB 3.31Å; T172-K175 WeakPolarHBondContact O-CB 3.35Å; T172-K175 PolarHBondContact O-N 2.86Å; T172-Y176 WeakPolarHBondContact OG1-CB 3.42Å; T172-Y176 PolarHBondContact OG1-N 2.98Å
173	R	96.6	Very high	97.8	Very high	237 Å²	237	46.9 Å²	46.9	89%	0.894	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	41.1	178.9	-55.4	-179.7	-177.2	-179.8	0.1	112.8	C169 Q170 N171	C169-R173 PolarHBondContact O-N 2.8Å; Q170-R173 PolarHBondContact O-N 3.44Å; N171-R173 PolarHBondContact O-N 2.65Å
174	G	93	Very high	97.8	Very high	43 Å²	43	46.9 Å²	46.9	44%	0.443	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-5.8	179.5	0	0	0	0	0	115.3	C169 T172 Y176 G177	C169-G174 PolarHBondContact O-N 2.93Å; T172-G174 PolarHBondContact O-N 2.78Å; G174-Y176 VanDerWaalsContact C-N 3.33Å; G174-Y176 PolarHBondContact O-N 3.23Å; G174-G177 VanDerWaalsContact CA-O 3.27Å; G174-G177 WeakPolarHBondContact CA-O 3.4Å; G174-G177 PolarHBondContact O-N 3.42Å
175	K	95.4	Very high	97.8	Very high	182 Å²	182	47.2 Å²	47.2	79%	0.791	24%	0.235	S	C	*	.	S	Bend	trans	-61.8	-40	180	-173.5	-170.6	174.7	-165.6	0	111.8	T172	T172-K175 VanDerWaalsContact O-CB 3.31Å; T172-K175 WeakPolarHBondContact O-CB 3.35Å; T172-K175 PolarHBondContact O-N 2.86Å
176	Y	96.7	Very high	97.7	Very high	38 Å²	38	48.7 Å²	48.7	15%	0.149	25%	0.246	C	C	.	.	S	Bend	trans	-78	-23	177.7	-171.2	-113.6	0	0	0	113.4	Y165 C168 T172 G174 K187 N417 Q418 T419	Y165-Y176 AromaticContact CD2-CD1 3.99Å; Y165-Y176 HydrophobicContact CD2-CD1 3.99Å; Y165-Y176 AromaticContact CD2-CE1 3.65Å; Y165-Y176 HydrophobicContact CD2-CE1 3.65Å; Y165-Y176 HydrophobicContact CE2-CD1 4.13Å; Y165-Y176 HydrophobicContact CE2-CE1 4.12Å; C168-Y176 HydrophobicContact CB-CD1 4.06Å; C168-Y176 HydrophobicContact CB-CE1 4.44Å; T172-Y176 WeakPolarHBondContact OG1-CB 3.42Å; T172-Y176 PolarHBondContact OG1-N 2.98Å; G174-Y176 VanDerWaalsContact C-N 3.33Å; G174-Y176 PolarHBondContact O-N 3.23Å; Y176-K187 VanDerWaalsContact CE2-NZ 3.32Å; Y176-K187 VanDerWaalsContact CZ-NZ 3.3Å; Y176-K187 WeakPolarHBondContact O-CE 3.29Å; Y176-K187 PolarHBondContact O-NZ 3.27Å; Y176-N417 PolarHBondContact OH-OD1 3.03Å; Y176-Q418 PolarHBondContact OH-N 3.47Å; Y176-T419 HydrophobicContact CD1-CG2 4.49Å; Y176-T419 HydrophobicContact CE1-CG2 3.72Å
177	G	97.2	Very high	97.7	Very high	17 Å²	17	50.3 Å²	50.3	18%	0.175	25%	0.253	C	S	.	.			trans	152	177.8	-175.6	0	0	0	0	0	111.6	Y165 C169 G174	Y165-G177 WeakPolarHBondContact OH-CA 3.42Å; C169-G177 WeakPolarHBondContact CB-O 3.43Å; C169-G177 PolarHBondContact SG-O 3.41Å; G174-G177 VanDerWaalsContact CA-O 3.27Å; G174-G177 WeakPolarHBondContact CA-O 3.4Å; G174-G177 PolarHBondContact O-N 3.42Å
178	E	98.1	Very high	97.7	Very high	120 Å²	120	50.6 Å²	50.6	56%	0.561	25%	0.254	S	S	*	.			trans	-79.5	133.5	176.1	-170.7	-169.9	143.5	0	0	111	Y165 T180	Y165-E178 WeakPolarHBondContact CE1-O 3.3Å; Y165-E178 PolarHBondContact OH-N 2.68Å; Y165-E178 VanDerWaalsContact OH-N 3.16Å; Y165-E178 PolarHBondContact OH-O 2.93Å; E178-T180 HydrophobicContact CG-CG2 4.22Å; E178-T180 PolarHBondContact O-N 2.9Å; E178-T180 VanDerWaalsContact OE1-CG2 3.3Å; E178-T180 WeakPolarHBondContact OE1-CG2 3.36Å; E178-T180 PolarHBondContact OE1-OG1 2.85Å
179	A	97.9	Very high	97.6	Very high	15 Å²	15	50.4 Å²	50.4	12%	0.124	25%	0.253	C	S	.	.	S	Bend	trans	-77.3	49.1	-175.5	0	0	0	0	0	113.9	Y155 C169 Q170	Y155-A179 PolarHBondContact OH-O 3.43Å; C169-A179 HydrophobicContact CB-CB 3.7Å; Q170-A179 HydrophobicContact CB-CB 4.15Å
180	T	98.3	Very high	97.6	Very high	40 Å²	40	56 Å²	56	25%	0.245	28%	0.279	C	S	.	.	S	Bend	trans	-136	158.3	-179.3	61.8	0	0	0	0	110.5	E178 E182 G183 Y184	E178-T180 HydrophobicContact CG-CG2 4.22Å; E178-T180 PolarHBondContact O-N 2.9Å; E178-T180 VanDerWaalsContact OE1-CG2 3.3Å; E178-T180 WeakPolarHBondContact OE1-CG2 3.36Å; E178-T180 PolarHBondContact OE1-OG1 2.85Å; T180-E182 VanDerWaalsContact C-N 3.25Å; T180-E182 PolarHBondContact O-N 3.44Å; T180-G183 PolarHBondContact O-N 2.94Å; T180-G183 PolarHBondContact OG1-N 2.89Å; T180-Y184 PolarHBondContact O-N 2.98Å
181	V	98.4	Very high	97.5	Very high	29 Å²	29	52.3 Å²	52.3	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-38.7	173.5	175.2	0	0	0	0	110.6	V158 M166 Y184 Y185	V158-V181 HydrophobicContact CG1-CG2 3.9Å; M166-V181 HydrophobicContact SD-CG2 3.99Å; V181-Y184 WeakPolarHBondContact O-CB 3.47Å; V181-Y184 PolarHBondContact O-N 3.19Å; V181-Y185 HydrophobicContact CG1-CD2 4.18Å; V181-Y185 HydrophobicContact CG1-CE1 4.26Å; V181-Y185 HydrophobicContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact CG1-CZ 3.45Å; V181-Y185 WeakPolarHBondContact CG1-OH 3.44Å; V181-Y185 WeakPolarHBondContact O-CD2 3.22Å; V181-Y185 PolarHBondContact O-N 3.48Å
182	E	98.1	Very high	97.5	Very high	93 Å²	93	50.7 Å²	50.7	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-42.1	173.9	-177.3	57.8	-156	0	0	112.1	T180 Y184 Y185 C186 H228	T180-E182 VanDerWaalsContact C-N 3.25Å; T180-E182 PolarHBondContact O-N 3.44Å; E182-Y184 VanDerWaalsContact C-N 3.29Å; E182-Y184 PolarHBondContact O-N 2.87Å; E182-Y185 PolarHBondContact O-N 3.32Å; E182-C186 WeakPolarHBondContact O-CB 3.34Å; E182-C186 PolarHBondContact O-N 3.08Å; E182-C186 PolarHBondContact OE1-SG 2.9Å; E182-C186 VanDerWaalsContact OE1-SG 3.35Å; E182-H228 IonicContact OE1-CE1 2.82Å; E182-H228 PolarHBondContact OE1-CE1 2.97Å; E182-H228 IonicContact OE1-NE2 2.69Å; E182-H228 IonicContact OE2-CE1 3.07Å; E182-H228 IonicContact OE2-NE2 3.28Å
183	G	98.3	Very high	97.4	Very high	5 Å²	5	49.9 Å²	49.9	5%	0.052	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-41.1	174.4	0	0	0	0	0	112.8	Y165 T180 K187	Y165-G183 PolarHBondContact OH-O 2.89Å; T180-G183 PolarHBondContact O-N 2.94Å; T180-G183 PolarHBondContact OG1-N 2.89Å; G183-K187 WeakPolarHBondContact O-CB 3.46Å; G183-K187 PolarHBondContact O-N 3.37Å
184	Y	98.7	Very high	97.3	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-49.5	173.1	172	-91.8	0	0	0	111.5	Q162 Y165 T180 V181 E182 C186 K187 L188 M225 D422	Q162-Y184 HydrophobicContact CG-CD1 3.75Å; Q162-Y184 HydrophobicContact CG-CD2 4.1Å; Q162-Y184 HydrophobicContact CG-CE1 3.75Å; Q162-Y184 HydrophobicContact CG-CE2 4.08Å; Q162-Y184 HydrophobicContact CG-CG 3.92Å; Y165-Y184 AromaticContact CD1-CD2 3.98Å; Y165-Y184 HydrophobicContact CD1-CD2 3.98Å; Y165-Y184 HydrophobicContact CD1-CG 4.33Å; Y165-Y184 HydrophobicContact CD2-CD2 4.16Å; Y165-Y184 AromaticContact CG-CD2 3.79Å; Y165-Y184 HydrophobicContact CG-CD2 3.79Å; T180-Y184 PolarHBondContact O-N 2.98Å; V181-Y184 WeakPolarHBondContact O-CB 3.47Å; V181-Y184 PolarHBondContact O-N 3.19Å; E182-Y184 VanDerWaalsContact C-N 3.29Å; E182-Y184 PolarHBondContact O-N 2.87Å; Y184-C186 PolarHBondContact O-N 2.85Å; Y184-K187 PolarHBondContact O-N 2.85Å; Y184-L188 HydrophobicContact CD1-CD1 4.4Å; Y184-L188 HydrophobicContact CD2-CD1 4.17Å; Y184-L188 HydrophobicContact CE1-CD1 3.79Å; Y184-L188 HydrophobicContact CE2-CD1 3.53Å; Y184-L188 HydrophobicContact CE2-CG 4.36Å; Y184-L188 WeakPolarHBondContact O-CG 3.36Å; Y184-L188 PolarHBondContact O-N 2.65Å; Y184-L188 WeakPolarHBondContact OH-CD1 3.47Å; Y184-M225 HydrophobicContact CD1-CE 4.37Å; Y184-M225 HydrophobicContact CE1-CE 3.97Å; Y184-D422 WeakPolarHBondContact CE2-OD2 3.34Å; Y184-D422 PolarHBondContact OH-OD1 2.91Å; Y184-D422 PolarHBondContact OH-OD2 2.84Å
185	Y	98.4	Very high	97.4	Very high	7 Å²	7	40 Å²	40	3%	0.027	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-48.2	177.5	-62	-32.4	0	0	0	112	Q162 V181 E182 S189 K221 E224 M225	Q162-Y185 VanDerWaalsContact NE2-CE1 3.32Å; Q162-Y185 PolarHBondContact NE2-OH 3.39Å; V181-Y185 HydrophobicContact CG1-CD2 4.18Å; V181-Y185 HydrophobicContact CG1-CE1 4.26Å; V181-Y185 HydrophobicContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact CG1-CZ 3.45Å; V181-Y185 WeakPolarHBondContact CG1-OH 3.44Å; V181-Y185 WeakPolarHBondContact O-CD2 3.22Å; V181-Y185 PolarHBondContact O-N 3.48Å; E182-Y185 PolarHBondContact O-N 3.32Å; Y185-S189 WeakPolarHBondContact O-CB 3.18Å; Y185-S189 PolarHBondContact O-N 2.95Å; Y185-S189 PolarHBondContact O-OG 3.38Å; Y185-K221 WeakPolarHBondContact OH-CD 3.4Å; Y185-E224 HydrophobicContact CE2-CB 3.91Å; Y185-E224 PolarHBondContact OH-OE2 2.83Å; Y185-M225 HydrophobicContact CD1-CB 3.86Å; Y185-M225 HydrophobicContact CD1-CE 3.84Å; Y185-M225 HydrophobicContact CD1-CG 3.81Å; Y185-M225 HydrophobicContact CD1-SD 4.47Å; Y185-M225 HydrophobicContact CE1-CB 4.04Å; Y185-M225 HydrophobicContact CE1-CG 4.45Å; Y185-M225 HydrophobicContact CG-CB 4.45Å; Y185-M225 HydrophobicContact CG-CG 4.31Å
186	C	97.8	Very high	97.3	Very high	35 Å²	35	31.6 Å²	31.6	24%	0.236	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-49.7	178.9	-80.4	0	0	0	0	112.2	E182 Y184 L188 S189 Q190	E182-C186 WeakPolarHBondContact O-CB 3.34Å; E182-C186 PolarHBondContact O-N 3.08Å; E182-C186 PolarHBondContact OE1-SG 2.9Å; E182-C186 VanDerWaalsContact OE1-SG 3.35Å; Y184-C186 PolarHBondContact O-N 2.85Å; C186-L188 PolarHBondContact O-N 3.23Å; C186-S189 PolarHBondContact O-OG 2.84Å; C186-Q190 WeakPolarHBondContact O-CB 3.01Å; C186-Q190 WeakPolarHBondContact O-CG 2.98Å; C186-Q190 PolarHBondContact O-N 3.44Å
187	K	98.2	Very high	97.1	Very high	33 Å²	33	35.8 Å²	35.8	14%	0.143	19%	0.186	C	C	.	.	H	α-helix	trans	-56.1	-53.6	-179.2	-178.6	-176.8	176.5	179	0	111.4	Y165 Y176 G183 Y184 A191 N414	Y165-K187 HydrophobicContact CE2-CD 3.68Å; Y176-K187 VanDerWaalsContact CE2-NZ 3.32Å; Y176-K187 VanDerWaalsContact CZ-NZ 3.3Å; Y176-K187 WeakPolarHBondContact O-CE 3.29Å; Y176-K187 PolarHBondContact O-NZ 3.27Å; G183-K187 WeakPolarHBondContact O-CB 3.46Å; G183-K187 PolarHBondContact O-N 3.37Å; Y184-K187 PolarHBondContact O-N 2.85Å; K187-A191 PolarHBondContact O-N 3.36Å; K187-N414 VanDerWaalsContact CE-O 3.31Å; K187-N414 WeakPolarHBondContact CE-O 3.37Å
188	L	98.5	Very high	96.8	Very high	6 Å²	6	37 Å²	37	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-47	-175	-63.9	-170.3	0	0	0	112.4	Y184 C186 Q190 A191 F192 M225 I415 L428	Y184-L188 HydrophobicContact CD1-CD1 4.4Å; Y184-L188 HydrophobicContact CD2-CD1 4.17Å; Y184-L188 HydrophobicContact CE1-CD1 3.79Å; Y184-L188 HydrophobicContact CE2-CD1 3.53Å; Y184-L188 HydrophobicContact CE2-CG 4.36Å; Y184-L188 WeakPolarHBondContact O-CG 3.36Å; Y184-L188 PolarHBondContact O-N 2.65Å; Y184-L188 WeakPolarHBondContact OH-CD1 3.47Å; C186-L188 PolarHBondContact O-N 3.23Å; L188-Q190 PolarHBondContact O-N 3.04Å; L188-A191 PolarHBondContact O-N 3.49Å; L188-F192 WeakPolarHBondContact O-CB 3.28Å; L188-F192 PolarHBondContact O-N 3.39Å; L188-M225 HydrophobicContact CB-CE 3.68Å; L188-M225 HydrophobicContact CD1-CE 3.84Å; L188-M225 HydrophobicContact CG-CE 4.3Å; L188-I415 WeakPolarHBondContact CD2-O 3.23Å; L188-L428 HydrophobicContact CB-CD1 3.97Å
189	S	97.4	Very high	96.4	Very high	5 Å²	5	32 Å²	32	4%	0.035	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-34.4	-178.1	61.7	0	0	0	0	113.1	Y185 C186 S193 H228	Y185-S189 WeakPolarHBondContact O-CB 3.18Å; Y185-S189 PolarHBondContact O-N 2.95Å; Y185-S189 PolarHBondContact O-OG 3.38Å; C186-S189 PolarHBondContact O-OG 2.84Å; S189-S193 VanDerWaalsContact O-CB 3.29Å; S189-S193 WeakPolarHBondContact O-CB 3.13Å; S189-S193 PolarHBondContact O-N 3.31Å; S189-S193 PolarHBondContact O-OG 3.22Å; S189-H228 WeakPolarHBondContact OG-CB 3.27Å
190	Q	97	Very high	95.4	Very high	119 Å²	119	36.5 Å²	36.5	56%	0.556	20%	0.198	S	C	*	.	H	α-helix	trans	-66.7	-48.4	175.6	-73.1	172	7.2	0	0	110.6	C186 L188 F192 S193 Q194	C186-Q190 WeakPolarHBondContact O-CB 3.01Å; C186-Q190 WeakPolarHBondContact O-CG 2.98Å; C186-Q190 PolarHBondContact O-N 3.44Å; L188-Q190 PolarHBondContact O-N 3.04Å; Q190-F192 PolarHBondContact O-N 3.2Å; Q190-S193 PolarHBondContact O-N 3.02Å; Q190-Q194 WeakPolarHBondContact O-CG 3.45Å; Q190-Q194 PolarHBondContact O-N 3.45Å
191	A	97.6	Very high	94.2	Very high	4 Å²	4	42 Å²	42	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-45.7	176.5	0	0	0	0	0	111.5	K187 L188 S193 Q194 L195 N414 I415	K187-A191 PolarHBondContact O-N 3.36Å; L188-A191 PolarHBondContact O-N 3.49Å; A191-S193 VanDerWaalsContact C-N 3.35Å; A191-S193 PolarHBondContact O-N 3.19Å; A191-Q194 PolarHBondContact O-N 3.05Å; A191-L195 WeakPolarHBondContact O-CG 3.29Å; A191-L195 PolarHBondContact O-N 2.96Å; A191-N414 HydrophobicContact CB-CB 3.87Å; A191-I415 HydrophobicContact CB-CB 3.77Å; A191-I415 HydrophobicContact CB-CG1 4.39Å
192	F	97.6	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.7	-47.7	173.3	177.3	-110.2	0	0	0	112.3	L188 Q190 Q194 L195 A196 L229 H232 M233 I415 L428 E431 A432	L188-F192 WeakPolarHBondContact O-CB 3.28Å; L188-F192 PolarHBondContact O-N 3.39Å; Q190-F192 PolarHBondContact O-N 3.2Å; F192-Q194 VanDerWaalsContact C-N 3.29Å; F192-Q194 PolarHBondContact O-N 2.72Å; F192-L195 PolarHBondContact O-N 3.07Å; F192-A196 HydrophobicContact CE1-CB 4.48Å; F192-A196 HydrophobicContact CZ-CB 4.4Å; F192-A196 VanDerWaalsContact O-CB 3.29Å; F192-A196 WeakPolarHBondContact O-CB 3.34Å; F192-A196 PolarHBondContact O-N 2.95Å; F192-L229 HydrophobicContact CD1-CD2 3.83Å; F192-L229 HydrophobicContact CE1-CD2 4.31Å; F192-H232 HydrophobicContact CD1-CB 4.33Å; F192-H232 HydrophobicContact CE1-CB 3.7Å; F192-M233 HydrophobicContact CE1-CB 3.97Å; F192-M233 HydrophobicContact CE1-SD 4.46Å; F192-M233 HydrophobicContact CZ-CB 4.08Å; F192-M233 HydrophobicContact CZ-SD 4.06Å; F192-I415 HydrophobicContact CB-CD1 3.73Å; F192-I415 HydrophobicContact CD2-CD1 4.11Å; F192-I415 HydrophobicContact CG-CD1 4.43Å; F192-L428 HydrophobicContact CB-CB 4.4Å; F192-L428 HydrophobicContact CD1-CD2 4.24Å; F192-L428 HydrophobicContact CD2-CB 3.9Å; F192-L428 HydrophobicContact CD2-CD2 4.12Å; F192-L428 VanDerWaalsContact CD2-O 3.23Å; F192-L428 WeakPolarHBondContact CD2-O 3.33Å; F192-L428 HydrophobicContact CE1-CD2 4.47Å; F192-L428 HydrophobicContact CE2-CD2 4.37Å; F192-L428 WeakPolarHBondContact CE2-O 3.42Å; F192-L428 HydrophobicContact CG-CB 4.29Å; F192-L428 HydrophobicContact CG-CD2 4.04Å; F192-E431 HydrophobicContact CE2-CB 4.31Å; F192-A432 HydrophobicContact CD2-CB 4.01Å; F192-A432 HydrophobicContact CE2-CB 4.08Å
193	S	95.2	Very high	92.7	Very high	19 Å²	19	41.2 Å²	41.2	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-35.9	-179.7	-62.1	0	0	0	0	112.1	S189 Q190 A191 K197 H232	S189-S193 VanDerWaalsContact O-CB 3.29Å; S189-S193 WeakPolarHBondContact O-CB 3.13Å; S189-S193 PolarHBondContact O-N 3.31Å; S189-S193 PolarHBondContact O-OG 3.22Å; Q190-S193 PolarHBondContact O-N 3.02Å; A191-S193 VanDerWaalsContact C-N 3.35Å; A191-S193 PolarHBondContact O-N 3.19Å; S193-K197 WeakPolarHBondContact O-CD 3.22Å; S193-K197 WeakPolarHBondContact O-CG 3.18Å; S193-K197 PolarHBondContact O-N 2.98Å; S193-H232 PolarHBondContact OG-CD2 3.44Å
194	Q	95.4	Very high	91.9	Very high	71 Å²	71	45.6 Å²	45.6	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-68.4	-41.6	175.1	-65	-56.7	-18	0	0	112	Q190 A191 F192 N198 F407 N411	Q190-Q194 WeakPolarHBondContact O-CG 3.45Å; Q190-Q194 PolarHBondContact O-N 3.45Å; A191-Q194 PolarHBondContact O-N 3.05Å; F192-Q194 VanDerWaalsContact C-N 3.29Å; F192-Q194 PolarHBondContact O-N 2.72Å; Q194-N198 PolarHBondContact O-ND2 3.04Å; Q194-F407 HydrophobicContact CB-CE1 4.25Å; Q194-F407 HydrophobicContact CB-CZ 4Å; Q194-F407 HydrophobicContact CG-CZ 4.26Å; Q194-N411 HydrophobicContact CB-CB 4.44Å; Q194-N411 VanDerWaalsContact CB-OD1 3.27Å; Q194-N411 WeakPolarHBondContact CB-OD1 3.26Å; Q194-N411 WeakPolarHBondContact CG-OD1 3.43Å
195	L	96.1	Very high	91	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-49.6	175	-67.1	172.7	0	0	0	111.2	A191 F192 K197 N198 L408 N411 I415 A432 I436	A191-L195 WeakPolarHBondContact O-CG 3.29Å; A191-L195 PolarHBondContact O-N 2.96Å; F192-L195 PolarHBondContact O-N 3.07Å; L195-K197 VanDerWaalsContact C-N 3.25Å; L195-K197 PolarHBondContact O-N 3.38Å; L195-N198 WeakPolarHBondContact O-CB 3.41Å; L195-N198 PolarHBondContact O-N 3.27Å; L195-L408 HydrophobicContact CD2-CB 4.43Å; L195-L408 HydrophobicContact CD2-CD2 3.75Å; L195-N411 HydrophobicContact CD1-CB 4.48Å; L195-N411 HydrophobicContact CD2-CB 3.74Å; L195-N411 HydrophobicContact CG-CB 3.83Å; L195-I415 HydrophobicContact CD1-CB 4.49Å; L195-I415 HydrophobicContact CD1-CD1 4.06Å; L195-I415 HydrophobicContact CD1-CG2 3.99Å; L195-A432 HydrophobicContact CB-CB 3.8Å; L195-A432 HydrophobicContact CD1-CB 3.95Å; L195-I436 HydrophobicContact CB-CD1 4.07Å; L195-I436 HydrophobicContact CD2-CD1 4.23Å
196	A	92.6	Very high	90.4	Very high	6 Å²	6	54.6 Å²	54.6	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-28.1	-176.7	0	0	0	0	0	113.6	F192 N198 A199 H232	F192-A196 HydrophobicContact CE1-CB 4.48Å; F192-A196 HydrophobicContact CZ-CB 4.4Å; F192-A196 VanDerWaalsContact O-CB 3.29Å; F192-A196 WeakPolarHBondContact O-CB 3.34Å; F192-A196 PolarHBondContact O-N 2.95Å; A196-N198 PolarHBondContact O-N 3.21Å; A196-A199 WeakPolarHBondContact O-CB 3.34Å; A196-A199 PolarHBondContact O-N 3.36Å; A196-H232 HydrophobicContact CB-CB 4.27Å
197	K	91.7	Very high	90	Very high	126 Å²	126	55.1 Å²	55.1	55%	0.548	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.9	173.7	-77.6	168.1	-172	174.1	0	113.8	S193 L195 A199	S193-K197 WeakPolarHBondContact O-CD 3.22Å; S193-K197 WeakPolarHBondContact O-CG 3.18Å; S193-K197 PolarHBondContact O-N 2.98Å; L195-K197 VanDerWaalsContact C-N 3.25Å; L195-K197 PolarHBondContact O-N 3.38Å; K197-A199 VanDerWaalsContact C-N 3.33Å
198	N	92.3	Very high	89.8	Confident	41 Å²	41	56.1 Å²	56.1	22%	0.219	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.5	177.7	-71.9	-86.1	0	0	0	112.9	Q194 L195 A196 K404 L408 I436	Q194-N198 PolarHBondContact O-ND2 3.04Å; L195-N198 WeakPolarHBondContact O-CB 3.41Å; L195-N198 PolarHBondContact O-N 3.27Å; A196-N198 PolarHBondContact O-N 3.21Å; N198-K404 WeakPolarHBondContact OD1-CE 3.38Å; N198-L408 HydrophobicContact CB-CD2 3.96Å; N198-I436 HydrophobicContact CB-CG1 4.39Å
199	A	88.5	Confident	89.7	Confident	15 Å²	15	55.8 Å²	55.8	12%	0.124	29%	0.294	C	S	.	.	S	Bend	trans	-76.2	130.6	170.7	0	0	0	0	0	110.7	A196 K197 R202 A435	A196-A199 WeakPolarHBondContact O-CB 3.34Å; A196-A199 PolarHBondContact O-N 3.36Å; K197-A199 VanDerWaalsContact C-N 3.33Å; A199-R202 HydrophobicContact CB-CG 3.81Å; A199-A435 HydrophobicContact CB-CB 3.76Å; A199-A435 VanDerWaalsContact CB-O 3.25Å; A199-A435 WeakPolarHBondContact CB-O 3.3Å
200	S	77.7	Confident	89.6	Confident	110 Å²	110	56 Å²	56	77%	0.769	30%	0.295	S	S	*	.	S	Bend	trans	-83.4	123	177.8	-59.6	0	0	0	0	110.4	R202	S200-R202 PolarHBondContact O-N 2.8Å
201	N	72	Confident	89.6	Confident	157 Å²	157	50.3 Å²	50.3	84%	0.84	27%	0.269	S	S	*	.	S	Bend	trans	48.9	55.9	168.5	-63.3	-28	0	0	0	116.2	T203	N201-T203 PolarHBondContact O-N 2.88Å
202	R	82.3	Confident	89.6	Confident	33 Å²	33	50.1 Å²	50.1	13%	0.125	27%	0.267	C	S	.	.			trans	-64.3	126.9	173.9	-68	178.7	78.5	175.9	1.6	112	A199 S200 Q206 K207 H232 A435	A199-R202 HydrophobicContact CB-CG 3.81Å; S200-R202 PolarHBondContact O-N 2.8Å; R202-Q206 HydrophobicContact CB-CB 4.44Å; R202-Q206 PolarHBondContact NH2-O 3.41Å; R202-K207 HydrophobicContact CB-CG 4.32Å; R202-H232 PolarHBondContact NH1-O 3.49Å; R202-A435 HydrophobicContact CG-CB 4.39Å
203	T	83.1	Confident	89.6	Confident	71 Å²	71	50.1 Å²	50.1	44%	0.436	27%	0.267	S	S	.	.			trans	-69.1	165.2	167.1	69.4	0	0	0	0	110.8	N201 D205 Q206 K207	N201-T203 PolarHBondContact O-N 2.88Å; T203-D205 VanDerWaalsContact C-N 3.3Å; T203-Q206 PolarHBondContact O-N 3.02Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.46Å; T203-Q206 PolarHBondContact OG1-N 3.41Å; T203-K207 WeakPolarHBondContact O-CG 3.46Å; T203-K207 PolarHBondContact O-N 3.49Å
204	D	81.7	Confident	89.7	Confident	98 Å²	98	49.2 Å²	49.2	52%	0.524	26%	0.261	S	S	.	.	S	Bend	trans	-67.3	-33.8	176	-68.5	-25.3	0	0	0	111.9	Q206 K207 H208	D204-Q206 VanDerWaalsContact C-N 3.28Å; D204-Q206 PolarHBondContact O-N 2.93Å; D204-K207 WeakPolarHBondContact O-CA 3.36Å; D204-K207 WeakPolarHBondContact O-CB 3.14Å; D204-K207 PolarHBondContact O-N 2.89Å; D204-K207 IonicContact OD1-NZ 3.77Å; D204-K207 PolarHBondContact OD1-NZ 3.21Å; D204-H208 PolarHBondContact O-N 3.47Å; D204-H208 VanDerWaalsContact O-N 3.15Å
205	D	80.3	Confident	89.8	Confident	132 Å²	132	46.3 Å²	46.3	71%	0.706	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.6	173.4	-56.7	-24.6	0	0	0	112.2	T203 K207 H208 R273	T203-D205 VanDerWaalsContact C-N 3.3Å; D205-K207 PolarHBondContact O-N 3.23Å; D205-H208 PolarHBondContact O-N 3.25Å; D205-R273 PolarHBondContact O-NH1 2.89Å
206	Q	84.8	Confident	89.9	Confident	65 Å²	65	46.3 Å²	46.3	30%	0.304	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11	173.6	-74.4	176.2	-38.2	0	0	113.3	R202 T203 D204 R273	R202-Q206 HydrophobicContact CB-CB 4.44Å; R202-Q206 PolarHBondContact NH2-O 3.41Å; T203-Q206 PolarHBondContact O-N 3.02Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.46Å; T203-Q206 PolarHBondContact OG1-N 3.41Å; D204-Q206 VanDerWaalsContact C-N 3.28Å; D204-Q206 PolarHBondContact O-N 2.93Å; Q206-R273 PolarHBondContact O-NH2 3.39Å
207	K	90.2	Very high	90.2	Very high	45 Å²	45	46 Å²	46	20%	0.196	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-17	174.7	-63.3	170.3	-158.7	152.8	0	112.4	R202 T203 D204 D205 Q234	R202-K207 HydrophobicContact CB-CG 4.32Å; T203-K207 WeakPolarHBondContact O-CG 3.46Å; T203-K207 PolarHBondContact O-N 3.49Å; D204-K207 WeakPolarHBondContact O-CA 3.36Å; D204-K207 WeakPolarHBondContact O-CB 3.14Å; D204-K207 PolarHBondContact O-N 2.89Å; D204-K207 IonicContact OD1-NZ 3.77Å; D204-K207 PolarHBondContact OD1-NZ 3.21Å; D205-K207 PolarHBondContact O-N 3.23Å; K207-Q234 PolarHBondContact O-N 2.83Å
208	H	94.1	Very high	90.5	Very high	54 Å²	54	40 Å²	40	25%	0.25	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.3	-178.9	-176.5	-86.8	0	0	0	111.5	D204 D205 Q234 S236 R273	D204-H208 PolarHBondContact O-N 3.47Å; D204-H208 VanDerWaalsContact O-N 3.15Å; D205-H208 PolarHBondContact O-N 3.25Å; H208-Q234 CarbonylContact C-O 3.59Å; H208-Q234 WeakPolarHBondContact CA-O 3.3Å; H208-S236 PolarHBondContact NE2-OG 2.84Å; H208-R273 PolarHBondContact O-NH2 2.87Å
209	L	96	Very high	90.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.7	172.5	179.8	68.2	0	0	0	110	V211 M233 Q234 L235 S236 R273 Y286 M427 E431	L209-V211 HydrophobicContact CD2-CG2 3.91Å; L209-V211 HydrophobicContact CG-CG2 3.98Å; L209-M233 HydrophobicContact CB-CE 3.6Å; L209-M233 HydrophobicContact CD2-CE 3.28Å; L209-M233 HydrophobicContact CG-CE 4.06Å; L209-Q234 PolarHBondContact N-O 3.42Å; L209-L235 HydrophobicContact CB-CD2 4.2Å; L209-L235 HydrophobicContact CD2-CD2 4.47Å; L209-S236 PolarHBondContact O-N 2.88Å; L209-R273 HydrophobicContact CD1-CB 3.82Å; L209-R273 WeakPolarHBondContact CD1-O 3.3Å; L209-Y286 HydrophobicContact CD1-CE1 3.77Å; L209-M427 HydrophobicContact CD2-CG 3.58Å; L209-M427 HydrophobicContact CD2-SD 3.66Å; L209-E431 HydrophobicContact CD2-CG 4.17Å
210	S	96	Very high	91.2	Very high	8 Å²	8	40.2 Å²	40.2	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.7	171	-62.6	0	0	0	0	110.1	R273 C274 C275	S210-R273 PolarHBondContact N-O 3.38Å; S210-R273 VanDerWaalsContact N-O 3.12Å; S210-C274 CarbonylContact O-C 3.5Å; S210-C274 VanDerWaalsContact O-CA 3.28Å; S210-C274 WeakPolarHBondContact O-CA 3.16Å; S210-C275 PolarHBondContact O-N 2.76Å
211	V	97	Very high	92.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.8	-174.2	-175.8	0	0	0	0	110.4	L209 G213 L235 S236 V237 F238 F277 M427	L209-V211 HydrophobicContact CD2-CG2 3.91Å; L209-V211 HydrophobicContact CG-CG2 3.98Å; V211-G213 PolarHBondContact O-N 3.23Å; V211-L235 HydrophobicContact CG2-CD2 4.19Å; V211-S236 PolarHBondContact N-O 2.9Å; V211-V237 HydrophobicContact CB-CG2 4.38Å; V211-V237 WeakPolarHBondContact O-CA 3.41Å; V211-F238 VanDerWaalsContact C-CE1 3.48Å; V211-F238 VanDerWaalsContact O-CD1 3.31Å; V211-F238 WeakPolarHBondContact O-CD1 3.31Å; V211-F238 PolarHBondContact O-N 2.97Å; V211-F277 HydrophobicContact CG1-CD2 4.14Å; V211-F277 HydrophobicContact CG1-CE1 4.49Å; V211-F277 HydrophobicContact CG1-CE2 3.81Å; V211-F277 HydrophobicContact CG1-CZ 4.01Å; V211-M427 HydrophobicContact CG2-SD 4.1Å
212	D	97.6	Very high	93.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109.1	165.1	-174.2	-5.1	0	0	0	109.4	A214 F238 N239 C250 G251 P262 C275 S276 F277	D212-A214 PolarHBondContact O-N 3.31Å; D212-A214 WeakPolarHBondContact OD1-CA 3.23Å; D212-A214 PolarHBondContact OD1-N 3.27Å; D212-F238 HydrophobicContact CB-CD2 3.98Å; D212-F238 HydrophobicContact CB-CE1 4.38Å; D212-F238 HydrophobicContact CB-CE2 3.17Å; D212-F238 HydrophobicContact CB-CZ 3.43Å; D212-F238 VanDerWaalsContact CB-CZ 3.43Å; D212-F238 VanDerWaalsContact CG-CE2 3.47Å; D212-N239 VanDerWaalsContact CG-ND2 3.28Å; D212-N239 WeakPolarHBondContact OD1-CB 3.28Å; D212-N239 PolarHBondContact OD1-ND2 3.33Å; D212-N239 PolarHBondContact OD2-ND2 2.78Å; D212-C250 WeakPolarHBondContact OD2-CB 3.34Å; D212-G251 PolarHBondContact OD2-N 3.25Å; D212-P262 HydrophobicContact CB-CG 4.38Å; D212-P262 WeakPolarHBondContact OD2-CB 3.34Å; D212-P262 WeakPolarHBondContact OD2-CG 3.36Å; D212-C275 PolarHBondContact N-O 3.34Å; D212-S276 WeakPolarHBondContact CB-OG 3.41Å; D212-S276 PolarHBondContact OD2-OG 3.25Å; D212-F277 PolarHBondContact O-N 3.29Å
213	G	97.1	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.			trans	-79.9	1.8	178.1	0	0	0	0	0	115	V211 N215 G216 F238 N239	V211-G213 PolarHBondContact O-N 3.23Å; G213-N215 PolarHBondContact O-N 2.94Å; G213-G216 PolarHBondContact O-N 3.38Å; G213-F238 PolarHBondContact N-O 3.47Å; G213-N239 CarbonylContact C-O 3.59Å; G213-N239 WeakPolarHBondContact CA-O 3.33Å
214	A	97.5	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	16.3	-178.2	0	0	0	0	0	115.6	D212 G216 N239 N247 F277	D212-A214 PolarHBondContact O-N 3.31Å; D212-A214 WeakPolarHBondContact OD1-CA 3.23Å; D212-A214 PolarHBondContact OD1-N 3.27Å; A214-G216 PolarHBondContact O-N 2.84Å; A214-N239 PolarHBondContact N-O 3.24Å; A214-N247 PolarHBondContact O-N 2.99Å; A214-F277 WeakPolarHBondContact CB-O 3.31Å
215	N	97.6	Very high	95.4	Very high	11 Å²	11	27 Å²	27	6%	0.059	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	24.4	-165	-58.7	-56.6	0	0	0	113.5	G213 N239 D240 G241 R243 K245	G213-N215 PolarHBondContact O-N 2.94Å; N215-N239 WeakPolarHBondContact CA-O 3.15Å; N215-N239 PolarHBondContact N-O 3.39Å; N215-N239 WeakPolarHBondContact OD1-CA 3.31Å; N215-N239 PolarHBondContact OD1-O 2.85Å; N215-D240 PolarHBondContact OD1-N 2.82Å; N215-G241 PolarHBondContact OD1-N 2.92Å; N215-G241 VanDerWaalsContact OD1-N 3.1Å; N215-R243 PolarHBondContact OD1-O 2.86Å; N215-R243 VanDerWaalsContact OD1-O 3.07Å; N215-K245 PolarHBondContact ND2-O 3.16Å
216	G	97.9	Very high	96	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	11%	0.11	C	C	.	.	S	Bend	trans	-106.6	-175.5	-174.3	0	0	0	0	0	114.5	G213 A214 G218 A219 G279	G213-G216 PolarHBondContact O-N 3.38Å; A214-G216 PolarHBondContact O-N 2.84Å; G216-G218 PolarHBondContact O-N 3.41Å; G216-A219 WeakPolarHBondContact O-CB 3.31Å; G216-A219 PolarHBondContact O-N 3.06Å; G216-G279 WeakPolarHBondContact CA-O 3.45Å
217	I	98.6	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-28.5	-176	-173.9	56.2	0	0	0	112.4	D129 T130 L157 T159 A219 I220 K221 G279	D129-I217 HydrophobicContact CB-CG2 4.21Å; T130-I217 HydrophobicContact CG2-CB 4.03Å; T130-I217 HydrophobicContact CG2-CD1 3.99Å; L157-I217 HydrophobicContact CB-CD1 3.77Å; L157-I217 HydrophobicContact CD2-CD1 4.4Å; T159-I217 HydrophobicContact CG2-CG2 4.26Å; I217-A219 VanDerWaalsContact C-N 3.26Å; I217-A219 PolarHBondContact O-N 2.89Å; I217-I220 HydrophobicContact CD1-CB 4.26Å; I217-I220 HydrophobicContact CD1-CD1 4.12Å; I217-I220 PolarHBondContact O-N 2.93Å; I217-I220 VanDerWaalsContact O-N 3.15Å; I217-K221 HydrophobicContact CD1-CG 4.12Å; I217-K221 HydrophobicContact CG1-CG 4.04Å; I217-K221 WeakPolarHBondContact O-CG 3.31Å; I217-K221 PolarHBondContact O-N 2.77Å; I217-K221 VanDerWaalsContact O-N 3.08Å; I217-G279 WeakPolarHBondContact CG2-O 3.49Å; I217-G279 PolarHBondContact N-O 3.45Å
218	G	98.6	Very high	96.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56	-38.1	175.7	0	0	0	0	0	113.3	G216 I220 K221 V222	G216-G218 PolarHBondContact O-N 3.41Å; G218-I220 VanDerWaalsContact C-N 3.34Å; G218-I220 PolarHBondContact O-N 3.35Å; G218-K221 PolarHBondContact O-N 2.92Å; G218-V222 WeakPolarHBondContact O-CB 3.46Å; G218-V222 WeakPolarHBondContact O-CG1 3.29Å; G218-V222 PolarHBondContact O-N 2.93Å
219	A	97.8	Very high	96.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-41.1	178.1	0	0	0	0	0	112.8	G216 I217 R223 V237 D240	G216-A219 WeakPolarHBondContact O-CB 3.31Å; G216-A219 PolarHBondContact O-N 3.06Å; I217-A219 VanDerWaalsContact C-N 3.26Å; I217-A219 PolarHBondContact O-N 2.89Å; A219-R223 VanDerWaalsContact O-CG 3.3Å; A219-R223 WeakPolarHBondContact O-CG 3.42Å; A219-R223 PolarHBondContact O-N 3.14Å; A219-V237 HydrophobicContact CB-CG1 4.06Å; A219-D240 HydrophobicContact CB-CB 4.22Å
220	I	98.1	Very high	95.4	Very high	60 Å²	60	28.5 Å²	28.5	31%	0.308	14%	0.136	S	C	.	.	H	α-helix	trans	-67.9	-46.7	178.8	-58.9	176.2	0	0	0	109.1	T130 I217 G218 R223 E224	T130-I220 HydrophobicContact CG2-CD1 3.72Å; I217-I220 HydrophobicContact CD1-CB 4.26Å; I217-I220 HydrophobicContact CD1-CD1 4.12Å; I217-I220 PolarHBondContact O-N 2.93Å; I217-I220 VanDerWaalsContact O-N 3.15Å; G218-I220 VanDerWaalsContact C-N 3.34Å; G218-I220 PolarHBondContact O-N 3.35Å; I220-R223 PolarHBondContact O-N 3.09Å; I220-E224 WeakPolarHBondContact CG2-OE1 3.49Å; I220-E224 WeakPolarHBondContact O-CG 3.21Å; I220-E224 PolarHBondContact O-N 2.97Å
221	K	98.4	Very high	94.6	Very high	15 Å²	15	35.2 Å²	35.2	7%	0.065	17%	0.172	C	C	.	.	H	α-helix	trans	-73.2	-36.1	-173.1	-61.7	-63.3	168.2	-163.7	0	113.8	L157 T159 Y185 I217 G218 R223 E224 M225 I424	L157-K221 WeakPolarHBondContact O-CE 3.4Å; L157-K221 PolarHBondContact O-NZ 3.19Å; T159-K221 HydrophobicContact CG2-CB 3.89Å; T159-K221 HydrophobicContact CG2-CG 3.81Å; Y185-K221 WeakPolarHBondContact OH-CD 3.4Å; I217-K221 HydrophobicContact CD1-CG 4.12Å; I217-K221 HydrophobicContact CG1-CG 4.04Å; I217-K221 WeakPolarHBondContact O-CG 3.31Å; I217-K221 PolarHBondContact O-N 2.77Å; I217-K221 VanDerWaalsContact O-N 3.08Å; G218-K221 PolarHBondContact O-N 2.92Å; K221-R223 VanDerWaalsContact C-N 3.31Å; K221-R223 PolarHBondContact O-N 2.93Å; K221-E224 WeakPolarHBondContact CD-OE2 3.27Å; K221-E224 VanDerWaalsContact NZ-CD 3.34Å; K221-E224 IonicContact NZ-OE1 2.91Å; K221-E224 PolarHBondContact NZ-OE1 3.13Å; K221-E224 IonicContact NZ-OE2 3.32Å; K221-E224 PolarHBondContact NZ-OE2 2.57Å; K221-E224 PolarHBondContact O-N 3.05Å; K221-M225 WeakPolarHBondContact O-CB 3.34Å; K221-M225 PolarHBondContact O-N 3.15Å; K221-I424 HydrophobicContact CB-CD1 4.26Å
222	V	97.3	Very high	94.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-33.9	174.3	81.1	0	0	0	0	111.6	G218 M225 E226 L235 V237 F277 I424 M427	G218-V222 WeakPolarHBondContact O-CB 3.46Å; G218-V222 WeakPolarHBondContact O-CG1 3.29Å; G218-V222 PolarHBondContact O-N 2.93Å; V222-M225 WeakPolarHBondContact O-CB 3.43Å; V222-M225 PolarHBondContact O-N 2.85Å; V222-E226 PolarHBondContact O-N 2.9Å; V222-L235 HydrophobicContact CG2-CD1 3.52Å; V222-V237 HydrophobicContact CG1-CG1 4.39Å; V222-V237 HydrophobicContact CG1-CG2 3.75Å; V222-F277 HydrophobicContact CB-CE2 4.19Å; V222-F277 HydrophobicContact CG1-CE2 4.38Å; V222-F277 HydrophobicContact CG2-CE2 4.39Å; V222-I424 HydrophobicContact CB-CD1 4.48Å; V222-M427 HydrophobicContact CG2-CE 3.88Å; V222-M427 HydrophobicContact CG2-SD 4.47Å
223	R	96.2	Very high	93.9	Very high	96 Å²	96	37.8 Å²	37.8	36%	0.362	18%	0.184	S	C	.	.	H	α-helix	trans	-67.6	-41	173.1	-76.6	178.9	176.3	172.4	-1	113.3	A219 I220 K221 M225 E226 V237 D240	A219-R223 VanDerWaalsContact O-CG 3.3Å; A219-R223 WeakPolarHBondContact O-CG 3.42Å; A219-R223 PolarHBondContact O-N 3.14Å; I220-R223 PolarHBondContact O-N 3.09Å; K221-R223 VanDerWaalsContact C-N 3.31Å; K221-R223 PolarHBondContact O-N 2.93Å; R223-M225 PolarHBondContact O-N 3.07Å; R223-E226 WeakPolarHBondContact O-CB 3.24Å; R223-E226 PolarHBondContact O-N 3.46Å; R223-V237 HydrophobicContact CG-CB 4.4Å; R223-V237 HydrophobicContact CG-CG2 4.06Å; R223-V237 PolarHBondContact NH2-O 3.12Å; R223-V237 VanDerWaalsContact NH2-O 3.11Å; R223-D240 IonicContact CZ-OD2 3.95Å; R223-D240 IonicContact NH1-OD2 2.78Å; R223-D240 PolarHBondContact NH1-OD2 2.8Å; R223-D240 VanDerWaalsContact NH2-CG 3.26Å; R223-D240 IonicContact NH2-OD2 3.43Å; R223-D240 PolarHBondContact NH2-OD2 2.65Å
224	E	96.4	Very high	93.7	Very high	79 Å²	79	42.5 Å²	42.5	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-57.7	-40.6	171.2	-71.7	173.2	-160	0	0	110.5	Y185 I220 K221 E226	Y185-E224 HydrophobicContact CE2-CB 3.91Å; Y185-E224 PolarHBondContact OH-OE2 2.83Å; I220-E224 WeakPolarHBondContact CG2-OE1 3.49Å; I220-E224 WeakPolarHBondContact O-CG 3.21Å; I220-E224 PolarHBondContact O-N 2.97Å; K221-E224 WeakPolarHBondContact CD-OE2 3.27Å; K221-E224 VanDerWaalsContact NZ-CD 3.34Å; K221-E224 IonicContact NZ-OE1 2.91Å; K221-E224 PolarHBondContact NZ-OE1 3.13Å; K221-E224 IonicContact NZ-OE2 3.32Å; K221-E224 PolarHBondContact NZ-OE2 2.57Å; K221-E224 PolarHBondContact O-N 3.05Å; E224-E226 PolarHBondContact O-N 3.01Å
225	M	95.6	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.5	-23	179.6	-163.3	-170.4	-122.3	0	0	114.2	Y184 Y185 L188 K221 V222 R223 S227 H228 L229 I424 L428	Y184-M225 HydrophobicContact CD1-CE 4.37Å; Y184-M225 HydrophobicContact CE1-CE 3.97Å; Y185-M225 HydrophobicContact CD1-CB 3.86Å; Y185-M225 HydrophobicContact CD1-CE 3.84Å; Y185-M225 HydrophobicContact CD1-CG 3.81Å; Y185-M225 HydrophobicContact CD1-SD 4.47Å; Y185-M225 HydrophobicContact CE1-CB 4.04Å; Y185-M225 HydrophobicContact CE1-CG 4.45Å; Y185-M225 HydrophobicContact CG-CB 4.45Å; Y185-M225 HydrophobicContact CG-CG 4.31Å; L188-M225 HydrophobicContact CB-CE 3.68Å; L188-M225 HydrophobicContact CD1-CE 3.84Å; L188-M225 HydrophobicContact CG-CE 4.3Å; K221-M225 WeakPolarHBondContact O-CB 3.34Å; K221-M225 PolarHBondContact O-N 3.15Å; V222-M225 WeakPolarHBondContact O-CB 3.43Å; V222-M225 PolarHBondContact O-N 2.85Å; R223-M225 PolarHBondContact O-N 3.07Å; M225-S227 PolarHBondContact O-N 3.43Å; M225-H228 WeakPolarHBondContact O-CB 3.4Å; M225-H228 PolarHBondContact O-N 3.18Å; M225-L229 HydrophobicContact CG-CD1 4.33Å; M225-L229 HydrophobicContact CG-CG 4.31Å; M225-L229 PolarHBondContact O-N 3.15Å; M225-L229 HydrophobicContact SD-CD1 4.24Å; M225-I424 HydrophobicContact CE-CG2 3.92Å; M225-I424 HydrophobicContact SD-CG2 3.66Å; M225-L428 HydrophobicContact CE-CD1 4.05Å; M225-L428 HydrophobicContact SD-CD1 3.97Å
226	E	93	Very high	93.4	Very high	73 Å²	73	45.8 Å²	45.8	34%	0.341	23%	0.227	S	C	.	.	H	α-helix	trans	-50.2	-35.8	-176.8	-80.6	176.7	-173.8	0	0	113	V222 R223 E224 H228 L229 K230 L235	V222-E226 PolarHBondContact O-N 2.9Å; R223-E226 WeakPolarHBondContact O-CB 3.24Å; R223-E226 PolarHBondContact O-N 3.46Å; E224-E226 PolarHBondContact O-N 3.01Å; E226-H228 PolarHBondContact O-N 2.61Å; E226-L229 PolarHBondContact O-N 2.95Å; E226-L229 VanDerWaalsContact O-N 3.13Å; E226-K230 PolarHBondContact O-N 3.25Å; E226-L235 HydrophobicContact CG-CB 4.3Å; E226-L235 HydrophobicContact CG-CD1 3.86Å; E226-L235 HydrophobicContact CG-CG 4.33Å
227	S	92	Very high	93.2	Very high	63 Å²	63	46.6 Å²	46.6	44%	0.441	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-28.4	179.6	74.7	0	0	0	0	113.9	M225 K230	M225-S227 PolarHBondContact O-N 3.43Å; S227-K230 WeakPolarHBondContact O-CD 3.44Å; S227-K230 WeakPolarHBondContact O-CG 3.38Å
228	H	94.1	Very high	93	Very high	51 Å²	51	47.6 Å²	47.6	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-84.1	-20	177.3	-59.6	-89.3	0	0	0	113.1	E182 S189 M225 E226	E182-H228 IonicContact OE1-CE1 2.82Å; E182-H228 PolarHBondContact OE1-CE1 2.97Å; E182-H228 IonicContact OE1-NE2 2.69Å; E182-H228 IonicContact OE2-CE1 3.07Å; E182-H228 IonicContact OE2-NE2 3.28Å; S189-H228 WeakPolarHBondContact OG-CB 3.27Å; M225-H228 WeakPolarHBondContact O-CB 3.4Å; M225-H228 PolarHBondContact O-N 3.18Å; E226-H228 PolarHBondContact O-N 2.61Å
229	L	91.9	Very high	92.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-93.7	-3.1	-178.2	-56.8	176.9	0	0	0	112.9	F192 M225 E226 N231 H232 M233 L235 L428	F192-L229 HydrophobicContact CD1-CD2 3.83Å; F192-L229 HydrophobicContact CE1-CD2 4.31Å; M225-L229 HydrophobicContact CG-CD1 4.33Å; M225-L229 HydrophobicContact CG-CG 4.31Å; M225-L229 PolarHBondContact O-N 3.15Å; M225-L229 HydrophobicContact SD-CD1 4.24Å; E226-L229 PolarHBondContact O-N 2.95Å; E226-L229 VanDerWaalsContact O-N 3.13Å; L229-N231 PolarHBondContact O-N 2.73Å; L229-H232 PolarHBondContact O-N 3.49Å; L229-M233 HydrophobicContact CB-CB 4.39Å; L229-M233 PolarHBondContact O-N 3.22Å; L229-L235 HydrophobicContact CD1-CD1 4.27Å; L229-L428 HydrophobicContact CD1-CD2 3.88Å; L229-L428 HydrophobicContact CD2-CD1 4.48Å; L229-L428 HydrophobicContact CD2-CD2 3.7Å; L229-L428 HydrophobicContact CG-CD2 4.46Å
230	K	75.1	Confident	92.7	Very high	139 Å²	139	49.9 Å²	49.9	60%	0.604	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	136.3	-177.8	-74.4	178.1	174.6	167.3	0	111	E226 S227 H232	E226-K230 PolarHBondContact O-N 3.25Å; S227-K230 WeakPolarHBondContact O-CD 3.44Å; S227-K230 WeakPolarHBondContact O-CG 3.38Å; K230-H232 VanDerWaalsContact C-N 3.28Å; K230-H232 PolarHBondContact O-N 3.01Å
231	N	79.9	Confident	92.4	Very high	149 Å²	149	49.1 Å²	49.1	80%	0.797	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-17.9	-175.4	-45.7	-50.6	0	0	0	116.5	L229	L229-N231 PolarHBondContact O-N 2.73Å
232	H	86.8	Confident	92.1	Very high	44 Å²	44	52.5 Å²	52.5	20%	0.204	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-25.2	-177.8	-66	-62.9	0	0	0	113.9	F192 S193 A196 R202 L229 K230	F192-H232 HydrophobicContact CD1-CB 4.33Å; F192-H232 HydrophobicContact CE1-CB 3.7Å; S193-H232 PolarHBondContact OG-CD2 3.44Å; A196-H232 HydrophobicContact CB-CB 4.27Å; R202-H232 PolarHBondContact NH1-O 3.49Å; L229-H232 PolarHBondContact O-N 3.49Å; K230-H232 VanDerWaalsContact C-N 3.28Å; K230-H232 PolarHBondContact O-N 3.01Å
233	M	92.1	Very high	91.5	Very high	11 Å²	11	62.6 Å²	62.6	5%	0.054	32%	0.319	C	S	.	.			trans	-150.8	147	-179.1	-165.1	172.7	-172.8	0	0	111.2	F192 L209 L229 L235 M427 L428 E431	F192-M233 HydrophobicContact CE1-CB 3.97Å; F192-M233 HydrophobicContact CE1-SD 4.46Å; F192-M233 HydrophobicContact CZ-CB 4.08Å; F192-M233 HydrophobicContact CZ-SD 4.06Å; L209-M233 HydrophobicContact CB-CE 3.6Å; L209-M233 HydrophobicContact CD2-CE 3.28Å; L209-M233 HydrophobicContact CG-CE 4.06Å; L229-M233 HydrophobicContact CB-CB 4.39Å; L229-M233 PolarHBondContact O-N 3.22Å; M233-L235 HydrophobicContact CE-CD2 3.46Å; M233-L235 VanDerWaalsContact CE-CD2 3.46Å; M233-L235 HydrophobicContact CG-CD2 3.89Å; M233-L235 HydrophobicContact SD-CD2 3.83Å; M233-M427 HydrophobicContact CE-CE 4.39Å; M233-M427 HydrophobicContact CE-CG 4.38Å; M233-M427 HydrophobicContact CE-SD 4.33Å; M233-L428 HydrophobicContact SD-CD2 4.08Å; M233-E431 HydrophobicContact CE-CB 4.15Å; M233-E431 HydrophobicContact CE-CG 3.57Å
234	Q	93.3	Very high	91.2	Very high	99 Å²	99	61.2 Å²	61.2	46%	0.463	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.3	174.5	-62.6	-179.3	20.2	0	0	108.6	K207 H208 L209	K207-Q234 PolarHBondContact O-N 2.83Å; H208-Q234 CarbonylContact C-O 3.59Å; H208-Q234 WeakPolarHBondContact CA-O 3.3Å; L209-Q234 PolarHBondContact N-O 3.42Å
235	L	94.3	Very high	91.1	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.131	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.4	-176.9	-57.6	-175.7	0	0	0	110.8	L209 V211 V222 E226 L229 M233 V237	L209-L235 HydrophobicContact CB-CD2 4.2Å; L209-L235 HydrophobicContact CD2-CD2 4.47Å; V211-L235 HydrophobicContact CG2-CD2 4.19Å; V222-L235 HydrophobicContact CG2-CD1 3.52Å; E226-L235 HydrophobicContact CG-CB 4.3Å; E226-L235 HydrophobicContact CG-CD1 3.86Å; E226-L235 HydrophobicContact CG-CG 4.33Å; L229-L235 HydrophobicContact CD1-CD1 4.27Å; M233-L235 HydrophobicContact CE-CD2 3.46Å; M233-L235 VanDerWaalsContact CE-CD2 3.46Å; M233-L235 HydrophobicContact CG-CD2 3.89Å; M233-L235 HydrophobicContact SD-CD2 3.83Å; L235-V237 HydrophobicContact CB-CG2 4.2Å
236	S	94.1	Very high	91.2	Very high	54 Å²	54	61.2 Å²	61.2	38%	0.378	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	91.2	165.9	-72.5	0	0	0	0	108.9	H208 L209 V211	H208-S236 PolarHBondContact NE2-OG 2.84Å; L209-S236 PolarHBondContact O-N 2.88Å; V211-S236 PolarHBondContact N-O 2.9Å
237	V	94.6	Very high	91.3	Very high	18 Å²	18	59 Å²	59	11%	0.109	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.7	-176.8	-172.8	0	0	0	0	110.3	V211 A219 V222 R223 L235 D240	V211-V237 HydrophobicContact CB-CG2 4.38Å; V211-V237 WeakPolarHBondContact O-CA 3.41Å; A219-V237 HydrophobicContact CB-CG1 4.06Å; V222-V237 HydrophobicContact CG1-CG1 4.39Å; V222-V237 HydrophobicContact CG1-CG2 3.75Å; R223-V237 HydrophobicContact CG-CB 4.4Å; R223-V237 HydrophobicContact CG-CG2 4.06Å; R223-V237 PolarHBondContact NH2-O 3.12Å; R223-V237 VanDerWaalsContact NH2-O 3.11Å; L235-V237 HydrophobicContact CB-CG2 4.2Å; V237-D240 HydrophobicContact CG1-CB 4.34Å
238	F	94.6	Very high	91.5	Very high	21 Å²	21	61.1 Å²	61.1	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	170.5	173.3	62.1	-99.3	0	0	0	110.7	V211 D212 G213 D240 P262 I266	V211-F238 VanDerWaalsContact C-CE1 3.48Å; V211-F238 VanDerWaalsContact O-CD1 3.31Å; V211-F238 WeakPolarHBondContact O-CD1 3.31Å; V211-F238 PolarHBondContact O-N 2.97Å; D212-F238 HydrophobicContact CB-CD2 3.98Å; D212-F238 HydrophobicContact CB-CE1 4.38Å; D212-F238 HydrophobicContact CB-CE2 3.17Å; D212-F238 HydrophobicContact CB-CZ 3.43Å; D212-F238 VanDerWaalsContact CB-CZ 3.43Å; D212-F238 VanDerWaalsContact CG-CE2 3.47Å; G213-F238 PolarHBondContact N-O 3.47Å; F238-D240 VanDerWaalsContact C-N 3.29Å; F238-D240 PolarHBondContact O-N 2.72Å; F238-P262 HydrophobicContact CE2-CB 4.31Å; F238-P262 HydrophobicContact CE2-CG 4.25Å; F238-I266 HydrophobicContact CB-CD1 3.62Å; F238-I266 HydrophobicContact CB-CG1 3.57Å; F238-I266 HydrophobicContact CD1-CD1 3.61Å; F238-I266 HydrophobicContact CD1-CG1 3.61Å; F238-I266 HydrophobicContact CD1-CG2 4.43Å; F238-I266 HydrophobicContact CD2-CD1 2.96Å; F238-I266 HydrophobicContact CD2-CG1 3.84Å; F238-I266 HydrophobicContact CE1-CD1 3.89Å; F238-I266 HydrophobicContact CE1-CG1 4.14Å; F238-I266 HydrophobicContact CE2-CD1 3.25Å; F238-I266 HydrophobicContact CE2-CG1 4.31Å; F238-I266 HydrophobicContact CG-CD1 3.11Å; F238-I266 HydrophobicContact CG-CG1 3.41Å; F238-I266 VanDerWaalsContact CG-CG1 3.41Å; F238-I266 HydrophobicContact CZ-CD1 3.7Å; F238-I266 HydrophobicContact CZ-CG1 4.44Å
239	N	95.6	Very high	91.6	Very high	18 Å²	18	61.8 Å²	61.8	10%	0.096	33%	0.33	C	S	.	.	S	Bend	trans	46.5	59.3	-167.5	-63.2	-37.8	0	0	0	109.7	D212 G213 A214 N215 C250 A264	D212-N239 VanDerWaalsContact CG-ND2 3.28Å; D212-N239 WeakPolarHBondContact OD1-CB 3.28Å; D212-N239 PolarHBondContact OD1-ND2 3.33Å; D212-N239 PolarHBondContact OD2-ND2 2.78Å; G213-N239 CarbonylContact C-O 3.59Å; G213-N239 WeakPolarHBondContact CA-O 3.33Å; A214-N239 PolarHBondContact N-O 3.24Å; N215-N239 WeakPolarHBondContact CA-O 3.15Å; N215-N239 PolarHBondContact N-O 3.39Å; N215-N239 WeakPolarHBondContact OD1-CA 3.31Å; N215-N239 PolarHBondContact OD1-O 2.85Å; N239-C250 HydrophobicContact CB-CB 4.43Å; N239-C250 WeakPolarHBondContact ND2-CB 3.32Å; N239-A264 WeakPolarHBondContact OD1-CB 3.46Å
240	D	94.4	Very high	91.8	Very high	30 Å²	30	61.8 Å²	61.8	16%	0.16	33%	0.331	C	S	.	.			trans	-96.5	7.3	-166.5	66.9	-16.6	0	0	0	113.8	N215 A219 R223 V237 F238 S242	N215-D240 PolarHBondContact OD1-N 2.82Å; A219-D240 HydrophobicContact CB-CB 4.22Å; R223-D240 IonicContact CZ-OD2 3.95Å; R223-D240 IonicContact NH1-OD2 2.78Å; R223-D240 PolarHBondContact NH1-OD2 2.8Å; R223-D240 VanDerWaalsContact NH2-CG 3.26Å; R223-D240 IonicContact NH2-OD2 3.43Å; R223-D240 PolarHBondContact NH2-OD2 2.65Å; V237-D240 HydrophobicContact CG1-CB 4.34Å; F238-D240 VanDerWaalsContact C-N 3.29Å; F238-D240 PolarHBondContact O-N 2.72Å; D240-S242 VanDerWaalsContact C-N 3.26Å; D240-S242 PolarHBondContact O-N 3.22Å; D240-S242 WeakPolarHBondContact OD1-CB 3.45Å; D240-S242 PolarHBondContact OD1-N 3.45Å; D240-S242 PolarHBondContact OD1-OG 3.03Å; D240-S242 PolarHBondContact OD2-OG 2.83Å
241	G	92	Very high	92.9	Very high	45 Å²	45	55.3 Å²	55.3	46%	0.464	30%	0.303	S	S	.	.	S	Bend	trans	82.3	-1.7	-174.5	0	0	0	0	0	113.8	N215	N215-G241 PolarHBondContact OD1-N 2.92Å; N215-G241 VanDerWaalsContact OD1-N 3.1Å
242	S	90.5	Very high	93.7	Very high	85 Å²	85	48.2 Å²	48.2	59%	0.594	27%	0.265	S	S	*	.	S	Bend	trans	-74.6	-31.1	174.1	71.4	0	0	0	0	112.3	D240	D240-S242 VanDerWaalsContact C-N 3.26Å; D240-S242 PolarHBondContact O-N 3.22Å; D240-S242 WeakPolarHBondContact OD1-CB 3.45Å; D240-S242 PolarHBondContact OD1-N 3.45Å; D240-S242 PolarHBondContact OD1-OG 3.03Å; D240-S242 PolarHBondContact OD2-OG 2.83Å
243	R	85.7	Confident	94.1	Very high	212 Å²	212	48.8 Å²	48.8	80%	0.8	27%	0.27	S	S	*	.	S	Bend	trans	-146.8	136.4	178.6	-60	-178.8	-176.3	178.5	1.4	108.8	N215	N215-R243 PolarHBondContact OD1-O 2.86Å; N215-R243 VanDerWaalsContact OD1-O 3.07Å
244	G	89.3	Confident	94.3	Very high	67 Å²	67	49.9 Å²	49.9	69%	0.691	28%	0.275	S	S	*	.	S	Bend	trans	104.3	177.7	179.3	0	0	0	0	0	112.9
245	K	94.4	Very high	94.4	Very high	73 Å²	73	45.2 Å²	45.2	32%	0.317	25%	0.252	S	S	.	.			trans	-110.1	143.4	-176.2	-179.2	176.4	-176.5	-173.6	0	109.5	E69 E70 N215 N247 H248	E69-K245 HydrophobicContact CB-CD 4.33Å; E69-K245 HydrophobicContact CB-CG 4.04Å; E69-K245 VanDerWaalsContact OE2-CE 3.26Å; E69-K245 WeakPolarHBondContact OE2-CE 3.48Å; E70-K245 IonicContact OE2-NZ 3.74Å; E70-K245 PolarHBondContact OE2-NZ 3.17Å; N215-K245 PolarHBondContact ND2-O 3.16Å; K245-N247 PolarHBondContact O-N 2.83Å; K245-H248 HydrophobicContact CB-CB 3.71Å; K245-H248 HydrophobicContact CD-CB 4.46Å; K245-H248 HydrophobicContact CG-CB 4.13Å; K245-H248 WeakPolarHBondContact O-CB 3.25Å; K245-H248 PolarHBondContact O-N 3.03Å; K245-H248 VanDerWaalsContact O-N 3.12Å
246	L	97.2	Very high	94.4	Very high	7 Å²	7	45 Å²	45	4%	0.037	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	128.4	176.8	-177.4	65.8	0	0	0	111.3	E69 R131 H248	E69-L246 HydrophobicContact CB-CB 4.24Å; E69-L246 HydrophobicContact CG-CB 4.28Å; R131-L246 HydrophobicContact CG-CD2 3.65Å; L246-H248 PolarHBondContact O-N 3.47Å
247	N	96.9	Very high	94.1	Very high	27 Å²	27	45 Å²	45	14%	0.144	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	13.7	-179.8	-55.6	-43.6	0	0	0	115.4	S65 H66 N67 A214 K245 Q249 G279	S65-N247 PolarHBondContact O-ND2 3.26Å; H66-N247 VanDerWaalsContact C-ND2 3.26Å; H66-N247 WeakPolarHBondContact CA-ND2 3.37Å; H66-N247 PolarHBondContact O-ND2 3.45Å; N67-N247 PolarHBondContact O-ND2 2.65Å; N67-N247 VanDerWaalsContact O-ND2 3.07Å; A214-N247 PolarHBondContact O-N 2.99Å; K245-N247 PolarHBondContact O-N 2.83Å; N247-Q249 PolarHBondContact O-N 3.1Å; N247-G279 WeakPolarHBondContact OD1-CA 3.44Å; N247-G279 PolarHBondContact OD1-N 3.24Å; N247-G279 VanDerWaalsContact OD1-N 3.08Å
248	H	95.9	Very high	93.9	Very high	107 Å²	107	49.5 Å²	49.5	50%	0.495	27%	0.268	S	S	.	.	S	Bend	trans	-88	103.2	-174.7	-170.8	71.2	0	0	0	111.2	K245 L246 C250	K245-H248 HydrophobicContact CB-CB 3.71Å; K245-H248 HydrophobicContact CD-CB 4.46Å; K245-H248 HydrophobicContact CG-CB 4.13Å; K245-H248 WeakPolarHBondContact O-CB 3.25Å; K245-H248 PolarHBondContact O-N 3.03Å; K245-H248 VanDerWaalsContact O-N 3.12Å; L246-H248 PolarHBondContact O-N 3.47Å; H248-C250 PolarHBondContact O-N 2.97Å
249	Q	95.1	Very high	93.7	Very high	64 Å²	64	51.7 Å²	51.7	30%	0.299	28%	0.279	S	S	.	.	S	Bend	trans	61.6	28.7	179.8	-54.8	177.2	-21.7	0	0	113.4	N247 F254 R263	N247-Q249 PolarHBondContact O-N 3.1Å; Q249-F254 HydrophobicContact CB-CE2 4.07Å; Q249-F254 HydrophobicContact CB-CZ 4.19Å; Q249-F254 HydrophobicContact CG-CE2 4.28Å; Q249-R263 HydrophobicContact CB-CB 4.19Å; Q249-R263 HydrophobicContact CB-CG 4.28Å; Q249-R263 PolarHBondContact O-N 3.29Å
250	C	96.2	Very high	93.6	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.02	29%	0.293	C	S	.	.			trans	-156.1	171.6	179	61.5	0	0	0	0	110	D212 N239 H248 F254 P262	D212-C250 WeakPolarHBondContact OD2-CB 3.34Å; N239-C250 HydrophobicContact CB-CB 4.43Å; N239-C250 WeakPolarHBondContact ND2-CB 3.32Å; H248-C250 PolarHBondContact O-N 2.97Å; C250-F254 VanDerWaalsContact O-CB 3.29Å; C250-F254 WeakPolarHBondContact O-CB 3.18Å; C250-P262 HydrophobicContact CB-CB 4.08Å
251	G	97.4	Very high	93.5	Very high	2 Å²	2	55 Å²	55	2%	0.021	30%	0.298	C	S	.	.	S	Bend	trans	85.9	166.3	177.2	0	0	0	0	0	114.4	D212 D253 F254 V255 F277	D212-G251 PolarHBondContact OD2-N 3.25Å; G251-D253 VanDerWaalsContact C-N 3.34Å; G251-D253 PolarHBondContact O-N 3.03Å; G251-F254 PolarHBondContact O-N 3.21Å; G251-F254 VanDerWaalsContact O-N 3.12Å; G251-V255 WeakPolarHBondContact O-CG2 3.43Å; G251-V255 PolarHBondContact O-N 3.15Å; G251-F277 CarbonylContact C-O 3.58Å; G251-F277 WeakPolarHBondContact CA-O 3.05Å
252	A	98	Very high	93.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.2	-43.2	-168.6	0	0	0	0	0	113.7	V255 K256 S276 F277 D278 R283 V285	A252-V255 PolarHBondContact O-N 2.71Å; A252-K256 VanDerWaalsContact O-CB 3.24Å; A252-K256 WeakPolarHBondContact O-CB 3.16Å; A252-K256 PolarHBondContact O-N 3.37Å; A252-S276 WeakPolarHBondContact CB-O 3.47Å; A252-F277 PolarHBondContact N-O 2.74Å; A252-D278 HydrophobicContact CB-CB 4.25Å; A252-R283 HydrophobicContact CB-CB 4.18Å; A252-V285 HydrophobicContact CB-CG1 4.45Å; A252-V285 HydrophobicContact CB-CG2 4.08Å
253	D	94.8	Very high	93.1	Very high	56 Å²	56	57.6 Å²	57.6	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-43.9	179.3	-169	84.2	0	0	0	111.7	H66 G251 V257 R283	H66-D253 HydrophobicContact CB-CB 3.8Å; H66-D253 IonicContact CD2-OD1 3.05Å; G251-D253 VanDerWaalsContact C-N 3.34Å; G251-D253 PolarHBondContact O-N 3.03Å; D253-V257 VanDerWaalsContact O-CB 3.3Å; D253-V257 WeakPolarHBondContact O-CB 3.22Å; D253-V257 VanDerWaalsContact O-CG2 3.23Å; D253-V257 WeakPolarHBondContact O-CG2 3.3Å; D253-V257 PolarHBondContact O-N 3.28Å; D253-R283 IonicContact OD1-NH1 3.97Å
254	F	95.3	Very high	92.3	Very high	35 Å²	35	49.4 Å²	49.4	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-50.3	176.7	175.9	-94.8	0	0	0	111.1	Q249 C250 G251 K256 V257 Q258 T260	Q249-F254 HydrophobicContact CB-CE2 4.07Å; Q249-F254 HydrophobicContact CB-CZ 4.19Å; Q249-F254 HydrophobicContact CG-CE2 4.28Å; C250-F254 VanDerWaalsContact O-CB 3.29Å; C250-F254 WeakPolarHBondContact O-CB 3.18Å; G251-F254 PolarHBondContact O-N 3.21Å; G251-F254 VanDerWaalsContact O-N 3.12Å; F254-K256 PolarHBondContact O-N 3.39Å; F254-V257 PolarHBondContact O-N 3.35Å; F254-Q258 HydrophobicContact CD2-CG 3.68Å; F254-Q258 HydrophobicContact CE2-CB 4.29Å; F254-Q258 HydrophobicContact CE2-CG 3.58Å; F254-Q258 HydrophobicContact CG-CG 4.29Å; F254-Q258 HydrophobicContact CZ-CB 4.3Å; F254-Q258 HydrophobicContact CZ-CG 4.07Å; F254-Q258 VanDerWaalsContact O-CB 3.22Å; F254-Q258 WeakPolarHBondContact O-CB 3.18Å; F254-Q258 WeakPolarHBondContact O-CG 3.36Å; F254-Q258 PolarHBondContact O-N 2.73Å; F254-T260 HydrophobicContact CE1-CG2 3.82Å; F254-T260 HydrophobicContact CZ-CG2 3.96Å
255	V	95.6	Very high	90.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-43.7	-178.4	175	0	0	0	0	111.1	G251 A252 Q259 P262 S276 V285 Y287 F295 L297	G251-V255 WeakPolarHBondContact O-CG2 3.43Å; G251-V255 PolarHBondContact O-N 3.15Å; A252-V255 PolarHBondContact O-N 2.71Å; V255-Q259 WeakPolarHBondContact O-CA 3.41Å; V255-Q259 PolarHBondContact O-N 3.4Å; V255-P262 HydrophobicContact CG2-CG 3.76Å; V255-S276 WeakPolarHBondContact CG2-OG 3.24Å; V255-V285 HydrophobicContact CB-CG2 4.07Å; V255-V285 HydrophobicContact CG1-CG2 3.97Å; V255-Y287 HydrophobicContact CG1-CD1 3.7Å; V255-Y287 HydrophobicContact CG1-CE1 4.02Å; V255-Y287 HydrophobicContact CG1-CG 4.29Å; V255-Y287 HydrophobicContact CG2-CE1 4.28Å; V255-F295 HydrophobicContact CG1-CE2 4.21Å; V255-F295 HydrophobicContact CG1-CZ 3.68Å; V255-L297 HydrophobicContact CG1-CD1 4.03Å
256	K	94.3	Very high	89.5	Confident	22 Å²	22	49.6 Å²	49.6	10%	0.096	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-47.5	177.5	173.1	57.7	-178	167.5	0	112.4	A252 F254 Q259 V285 L297 D299 A373	A252-K256 VanDerWaalsContact O-CB 3.24Å; A252-K256 WeakPolarHBondContact O-CB 3.16Å; A252-K256 PolarHBondContact O-N 3.37Å; F254-K256 PolarHBondContact O-N 3.39Å; K256-Q259 WeakPolarHBondContact O-CG 3.12Å; K256-V285 HydrophobicContact CB-CG1 4.46Å; K256-L297 HydrophobicContact CD-CD2 3.71Å; K256-D299 HydrophobicContact CD-CB 4.1Å; K256-D299 IonicContact NZ-OD2 2.87Å; K256-D299 PolarHBondContact NZ-OD2 3.21Å; K256-A373 WeakPolarHBondContact CD-O 3.38Å; K256-A373 WeakPolarHBondContact CE-O 3.39Å
257	V	89.3	Confident	88.5	Confident	53 Å²	53	57.6 Å²	57.6	32%	0.321	30%	0.304	S	S	.	.	H	α-helix	trans	-77.7	-39.9	-172.8	175.3	0	0	0	0	111.6	D253 F254	D253-V257 VanDerWaalsContact O-CB 3.3Å; D253-V257 WeakPolarHBondContact O-CB 3.22Å; D253-V257 VanDerWaalsContact O-CG2 3.23Å; D253-V257 WeakPolarHBondContact O-CG2 3.3Å; D253-V257 PolarHBondContact O-N 3.28Å; F254-V257 PolarHBondContact O-N 3.35Å
258	Q	90.1	Very high	87.9	Confident	113 Å²	113	57.6 Å²	57.6	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-88.2	-14.6	-178.7	-57	-59	-52.1	0	0	113.2	F254 T260	F254-Q258 HydrophobicContact CD2-CG 3.68Å; F254-Q258 HydrophobicContact CE2-CB 4.29Å; F254-Q258 HydrophobicContact CE2-CG 3.58Å; F254-Q258 HydrophobicContact CG-CG 4.29Å; F254-Q258 HydrophobicContact CZ-CB 4.3Å; F254-Q258 HydrophobicContact CZ-CG 4.07Å; F254-Q258 VanDerWaalsContact O-CB 3.22Å; F254-Q258 WeakPolarHBondContact O-CB 3.18Å; F254-Q258 WeakPolarHBondContact O-CG 3.36Å; F254-Q258 PolarHBondContact O-N 2.73Å; Q258-T260 VanDerWaalsContact C-N 3.26Å; Q258-T260 HydrophobicContact CB-CG2 3.77Å; Q258-T260 PolarHBondContact O-N 2.96Å
259	Q	90.8	Very high	87.6	Confident	67 Å²	67	56.1 Å²	56.1	31%	0.313	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	51.1	-176.1	-60	-170.2	19.8	0	0	111.9	V255 K256 F295 L297	V255-Q259 WeakPolarHBondContact O-CA 3.41Å; V255-Q259 PolarHBondContact O-N 3.4Å; K256-Q259 WeakPolarHBondContact O-CG 3.12Å; Q259-F295 VanDerWaalsContact C-CD1 3.46Å; Q259-F295 HydrophobicContact CB-CD1 4.48Å; Q259-F295 HydrophobicContact CB-CE1 4.17Å; Q259-F295 WeakPolarHBondContact O-CD1 3.32Å; Q259-L297 HydrophobicContact CG-CD2 4.36Å
260	T	91.9	Very high	87.4	Confident	64 Å²	64	57 Å²	57	39%	0.393	31%	0.31	S	S	.	.	S	Bend	trans	-149.9	164.9	-177.7	-161.9	0	0	0	0	111	F254 Q258	F254-T260 HydrophobicContact CE1-CG2 3.82Å; F254-T260 HydrophobicContact CZ-CG2 3.96Å; Q258-T260 VanDerWaalsContact C-N 3.26Å; Q258-T260 HydrophobicContact CB-CG2 3.77Å; Q258-T260 PolarHBondContact O-N 2.96Å
261	L	93.4	Very high	87.2	Confident	53 Å²	53	57.8 Å²	57.8	28%	0.277	32%	0.319	S	S	.	.			trans	-65.5	144.8	177.1	-65.5	177.7	0	0	0	111.5	I268 Y287 T289 F295	L261-I268 HydrophobicContact CD1-CD1 4.37Å; L261-I268 HydrophobicContact CD2-CD1 3.78Å; L261-Y287 HydrophobicContact CD2-CD2 3.69Å; L261-Y287 HydrophobicContact CD2-CE2 3.73Å; L261-T289 HydrophobicContact CD1-CG2 3.89Å; L261-T289 HydrophobicContact CD2-CG2 4.27Å; L261-T289 HydrophobicContact CG-CG2 4.38Å; L261-F295 HydrophobicContact CD2-CD2 3.71Å; L261-F295 HydrophobicContact CD2-CE2 3.98Å; L261-F295 HydrophobicContact CG-CD2 4.02Å
262	P	92.9	Very high	87	Confident	11 Å²	11	59.9 Å²	59.9	7%	0.071	33%	0.33	C	S	.	.			trans	-53.1	140.7	166.4	-24.4	34.3	0	0	0	111.1	D212 F238 C250 V255 A264	D212-P262 HydrophobicContact CB-CG 4.38Å; D212-P262 WeakPolarHBondContact OD2-CB 3.34Å; D212-P262 WeakPolarHBondContact OD2-CG 3.36Å; F238-P262 HydrophobicContact CE2-CB 4.31Å; F238-P262 HydrophobicContact CE2-CG 4.25Å; C250-P262 HydrophobicContact CB-CB 4.08Å; V255-P262 HydrophobicContact CG2-CG 3.76Å; P262-A264 VanDerWaalsContact C-N 3.33Å; P262-A264 PolarHBondContact O-N 3.18Å
263	R	80.6	Confident	86.9	Confident	174 Å²	174	61.3 Å²	61.3	66%	0.657	34%	0.335	S	S	*	.	S	Bend	trans	-74.4	-17.6	-172.4	-80.7	-175.2	178.1	-170.1	-0.4	115.3	Q249 G265	Q249-R263 HydrophobicContact CB-CB 4.19Å; Q249-R263 HydrophobicContact CB-CG 4.28Å; Q249-R263 PolarHBondContact O-N 3.29Å; R263-G265 PolarHBondContact O-N 3.29Å
264	A	68.3	Low	87	Confident	39 Å²	39	58.7 Å²	58.7	32%	0.322	32%	0.321	S	S	.	.	S	Bend	trans	-63	137.1	177	0	0	0	0	0	109.9	N239 P262 I266	N239-A264 WeakPolarHBondContact OD1-CB 3.46Å; P262-A264 VanDerWaalsContact C-N 3.33Å; P262-A264 PolarHBondContact O-N 3.18Å; A264-I266 HydrophobicContact CB-CD1 4.33Å; A264-I266 WeakPolarHBondContact O-CD1 3.18Å; A264-I266 PolarHBondContact O-N 2.78Å
265	G	56.4	Low	87.2	Confident	89 Å²	89	57 Å²	57	92%	0.918	31%	0.314	S	S	*	.			trans	-72.6	59.2	-165.7	0	0	0	0	0	116	R263	R263-G265 PolarHBondContact O-N 3.29Å
266	I	69.8	Low	87.3	Confident	55 Å²	55	57 Å²	57	28%	0.282	31%	0.314	S	S	.	.			trans	-77.8	132.7	166.6	-56.4	103.9	0	0	0	108.6	F238 A264 I268	F238-I266 HydrophobicContact CB-CD1 3.62Å; F238-I266 HydrophobicContact CB-CG1 3.57Å; F238-I266 HydrophobicContact CD1-CD1 3.61Å; F238-I266 HydrophobicContact CD1-CG1 3.61Å; F238-I266 HydrophobicContact CD1-CG2 4.43Å; F238-I266 HydrophobicContact CD2-CD1 2.96Å; F238-I266 HydrophobicContact CD2-CG1 3.84Å; F238-I266 HydrophobicContact CE1-CD1 3.89Å; F238-I266 HydrophobicContact CE1-CG1 4.14Å; F238-I266 HydrophobicContact CE2-CD1 3.25Å; F238-I266 HydrophobicContact CE2-CG1 4.31Å; F238-I266 HydrophobicContact CG-CD1 3.11Å; F238-I266 HydrophobicContact CG-CG1 3.41Å; F238-I266 VanDerWaalsContact CG-CG1 3.41Å; F238-I266 HydrophobicContact CZ-CD1 3.7Å; F238-I266 HydrophobicContact CZ-CG1 4.44Å; A264-I266 HydrophobicContact CB-CD1 4.33Å; A264-I266 WeakPolarHBondContact O-CD1 3.18Å; A264-I266 PolarHBondContact O-N 2.78Å; I266-I268 HydrophobicContact CB-CG1 4.3Å; I266-I268 HydrophobicContact CG2-CG1 3.88Å; I266-I268 PolarHBondContact O-N 2.62Å
267	K	76.1	Confident	87.5	Confident	176 Å²	176	56 Å²	56	77%	0.765	31%	0.309	S	S	*	.			trans	-81.2	99	167.3	-171	-179.2	178.8	-173.4	0	107.8
268	I	83	Confident	87.9	Confident	27 Å²	27	53.5 Å²	53.5	14%	0.138	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-93.1	121.5	171.9	-60.5	171.2	0	0	0	106.7	L261 I266 D272 Y287	L261-I268 HydrophobicContact CD1-CD1 4.37Å; L261-I268 HydrophobicContact CD2-CD1 3.78Å; I266-I268 HydrophobicContact CB-CG1 4.3Å; I266-I268 HydrophobicContact CG2-CG1 3.88Å; I266-I268 PolarHBondContact O-N 2.62Å; I268-D272 HydrophobicContact CG2-CB 3.96Å; I268-Y287 HydrophobicContact CD1-CE2 4.26Å
269	N	89.9	Confident	88.3	Confident	76 Å²	76	48.1 Å²	48.1	41%	0.406	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-84.1	154	173.7	-49.2	-71	0	0	0	109.7	G271 D272	N269-G271 PolarHBondContact O-N 3.11Å; N269-D272 WeakPolarHBondContact CA-OD2 3.02Å; N269-D272 VanDerWaalsContact CB-OD2 3.31Å; N269-D272 WeakPolarHBondContact CB-OD2 3.44Å; N269-D272 PolarHBondContact N-OD2 2.82Å; N269-D272 PolarHBondContact ND2-OD2 2.95Å; N269-D272 VanDerWaalsContact O-CB 3.31Å; N269-D272 WeakPolarHBondContact O-CB 3.46Å; N269-D272 PolarHBondContact O-N 2.57Å
270	P	92.3	Very high	88.7	Confident	82 Å²	82	44.9 Å²	44.9	53%	0.532	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	123.6	172.4	-33	39.3	0	0	0	113	T289 D290	P270-T289 CarbonylContact C-O 3.57Å; P270-T289 VanDerWaalsContact CA-O 3.3Å; P270-T289 WeakPolarHBondContact CA-O 3.11Å; P270-D290 WeakPolarHBondContact CB-O 3.31Å
271	G	91.5	Very high	89	Confident	20 Å²	20	41.9 Å²	41.9	21%	0.206	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-0.5	179.5	0	0	0	0	0	116.2	N269 R273 T289	N269-G271 PolarHBondContact O-N 3.11Å; G271-R273 PolarHBondContact O-N 3.15Å; G271-T289 PolarHBondContact N-O 3.06Å
272	D	93.3	Very high	89.3	Confident	45 Å²	45	39.5 Å²	39.5	24%	0.241	22%	0.223	C	C	.	.			trans	-63.1	131.1	172	-73.5	-10.5	0	0	0	109.9	I268 N269 C274 Y288	I268-D272 HydrophobicContact CG2-CB 3.96Å; N269-D272 WeakPolarHBondContact CA-OD2 3.02Å; N269-D272 VanDerWaalsContact CB-OD2 3.31Å; N269-D272 WeakPolarHBondContact CB-OD2 3.44Å; N269-D272 PolarHBondContact N-OD2 2.82Å; N269-D272 PolarHBondContact ND2-OD2 2.95Å; N269-D272 VanDerWaalsContact O-CB 3.31Å; N269-D272 WeakPolarHBondContact O-CB 3.46Å; N269-D272 PolarHBondContact O-N 2.57Å; D272-C274 PolarHBondContact O-N 3.2Å; D272-Y288 WeakPolarHBondContact O-CB 3.21Å
273	R	95.8	Very high	89.5	Confident	31 Å²	31	40.2 Å²	40.2	12%	0.117	22%	0.224	C	C	.	.			trans	-74.8	126	175.2	-63.3	-167.7	-53.7	-56.6	-7.1	109.4	D205 Q206 H208 L209 S210 G271 E431 V441	D205-R273 PolarHBondContact O-NH1 2.89Å; Q206-R273 PolarHBondContact O-NH2 3.39Å; H208-R273 PolarHBondContact O-NH2 2.87Å; L209-R273 HydrophobicContact CD1-CB 3.82Å; L209-R273 WeakPolarHBondContact CD1-O 3.3Å; S210-R273 PolarHBondContact N-O 3.38Å; S210-R273 VanDerWaalsContact N-O 3.12Å; G271-R273 PolarHBondContact O-N 3.15Å; R273-E431 IonicContact CZ-OE2 2.73Å; R273-E431 IonicContact NE-OE1 3.43Å; R273-E431 PolarHBondContact NE-OE1 3.24Å; R273-E431 IonicContact NE-OE2 2.84Å; R273-E431 PolarHBondContact NE-OE2 3.31Å; R273-E431 IonicContact NH2-OE2 3.98Å; R273-E431 PolarHBondContact NH2-OE2 3.39Å; R273-V441 HydrophobicContact CG-CB 3.85Å; R273-V441 HydrophobicContact CG-CG1 3.96Å
274	C	97.1	Very high	90.4	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.8	175.5	-57.3	0	0	0	0	110.3	S210 D272 Y286 Y287	S210-C274 CarbonylContact O-C 3.5Å; S210-C274 VanDerWaalsContact O-CA 3.28Å; S210-C274 WeakPolarHBondContact O-CA 3.16Å; D272-C274 PolarHBondContact O-N 3.2Å; C274-Y286 CarbonylContact O-C 3.45Å; C274-Y286 VanDerWaalsContact O-CA 3.3Å; C274-Y286 WeakPolarHBondContact O-CA 3.28Å; C274-Y286 WeakPolarHBondContact O-CD1 3.4Å; C274-Y287 HydrophobicContact CB-CD2 3.58Å; C274-Y287 HydrophobicContact CB-CE1 4.19Å; C274-Y287 HydrophobicContact CB-CE2 3.22Å; C274-Y287 HydrophobicContact CB-CG 4.22Å; C274-Y287 WeakPolarHBondContact CB-O 3.5Å; C274-Y287 PolarHBondContact N-O 3.41Å; C274-Y287 VanDerWaalsContact N-O 3.07Å; C274-Y287 PolarHBondContact O-N 3.22Å
275	C	98.3	Very high	91.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.5	166.3	71.8	0	0	0	0	111.4	S210 D212 I284 V285 Y286	S210-C275 PolarHBondContact O-N 2.76Å; D212-C275 PolarHBondContact N-O 3.34Å; C275-I284 HydrophobicContact CB-CD1 4.05Å; C275-I284 HydrophobicContact CB-CG1 4.09Å; C275-V285 CarbonylContact C-O 3.6Å; C275-V285 WeakPolarHBondContact CA-O 3.49Å; C275-V285 WeakPolarHBondContact CB-O 3.36Å; C275-Y286 HydrophobicContact CB-CD1 4.1Å; C275-Y286 HydrophobicContact CB-CD2 3.73Å; C275-Y286 HydrophobicContact CB-CE1 4.05Å; C275-Y286 HydrophobicContact CB-CE2 3.65Å; C275-Y286 HydrophobicContact CB-CG 3.96Å
276	S	98.6	Very high	93.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.4	171	-62.8	0	0	0	0	111.8	D212 A252 V255 I284 V285 Y287	D212-S276 WeakPolarHBondContact CB-OG 3.41Å; D212-S276 PolarHBondContact OD2-OG 3.25Å; A252-S276 WeakPolarHBondContact CB-O 3.47Å; V255-S276 WeakPolarHBondContact CG2-OG 3.24Å; S276-I284 WeakPolarHBondContact O-CA 3.35Å; S276-V285 PolarHBondContact N-O 3.45Å; S276-V285 PolarHBondContact O-N 3.04Å; S276-V285 VanDerWaalsContact O-N 3.15Å; S276-Y287 WeakPolarHBondContact OG-CE1 3.48Å; S276-Y287 PolarHBondContact OG-OH 3.38Å
277	F	98.7	Very high	95.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	162	164.7	-60.6	-22.4	0	0	0	110.5	V211 D212 A214 V222 G251 A252 A281 R283 I284 A423 I424 M427	V211-F277 HydrophobicContact CG1-CD2 4.14Å; V211-F277 HydrophobicContact CG1-CE1 4.49Å; V211-F277 HydrophobicContact CG1-CE2 3.81Å; V211-F277 HydrophobicContact CG1-CZ 4.01Å; D212-F277 PolarHBondContact O-N 3.29Å; A214-F277 WeakPolarHBondContact CB-O 3.31Å; V222-F277 HydrophobicContact CB-CE2 4.19Å; V222-F277 HydrophobicContact CG1-CE2 4.38Å; V222-F277 HydrophobicContact CG2-CE2 4.39Å; G251-F277 CarbonylContact C-O 3.58Å; G251-F277 WeakPolarHBondContact CA-O 3.05Å; A252-F277 PolarHBondContact N-O 2.74Å; F277-A281 HydrophobicContact CB-CB 4.41Å; F277-A281 HydrophobicContact CD2-CB 4.42Å; F277-A281 HydrophobicContact CG-CB 4.47Å; F277-R283 WeakPolarHBondContact CA-O 3.43Å; F277-I284 HydrophobicContact CD1-CB 4.4Å; F277-I284 HydrophobicContact CD1-CD1 4.35Å; F277-I284 HydrophobicContact CD1-CG1 4.26Å; F277-I284 HydrophobicContact CE1-CD1 3.89Å; F277-I284 HydrophobicContact CE1-CG1 4.29Å; F277-A423 HydrophobicContact CD1-CB 3.54Å; F277-A423 HydrophobicContact CE1-CB 3.83Å; F277-A423 WeakPolarHBondContact CE1-O 3.27Å; F277-A423 HydrophobicContact CG-CB 4.16Å; F277-I424 HydrophobicContact CE2-CG1 3.94Å; F277-I424 HydrophobicContact CZ-CG1 3.91Å; F277-M427 HydrophobicContact CE1-CB 4.31Å; F277-M427 HydrophobicContact CE1-SD 4.33Å; F277-M427 HydrophobicContact CZ-CB 4.47Å; F277-M427 HydrophobicContact CZ-SD 3.81Å
278	D	98.4	Very high	96.2	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	9%	0.087	C	C	.	.			trans	-92.1	177.3	159.7	78.6	-38.4	0	0	0	111.5	S65 A252 D280 A281 D282 R283	S65-D278 PolarHBondContact OG-OD2 3.49Å; A252-D278 HydrophobicContact CB-CB 4.25Å; D278-D280 VanDerWaalsContact C-N 3.27Å; D278-D280 PolarHBondContact O-N 3Å; D278-D280 VanDerWaalsContact O-N 3.13Å; D278-D280 VanDerWaalsContact OD2-OD1 3.04Å; D278-A281 PolarHBondContact O-N 3.21Å; D278-A281 WeakPolarHBondContact OD1-CA 3.44Å; D278-A281 PolarHBondContact OD1-N 3.39Å; D278-D282 PolarHBondContact OD1-N 3.47Å; D278-R283 HydrophobicContact CB-CB 4.18Å; D278-R283 HydrophobicContact CB-CG 4.31Å; D278-R283 PolarHBondContact N-O 2.8Å; D278-R283 PolarHBondContact OD1-N 3.4Å; D278-R283 IonicContact OD2-NE 2.76Å
279	G	98.1	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.6	-168.6	0	0	0	0	0	116	G216 I217 N247	G216-G279 WeakPolarHBondContact CA-O 3.45Å; I217-G279 WeakPolarHBondContact CG2-O 3.49Å; I217-G279 PolarHBondContact N-O 3.45Å; N247-G279 WeakPolarHBondContact OD1-CA 3.44Å; N247-G279 PolarHBondContact OD1-N 3.24Å; N247-G279 VanDerWaalsContact OD1-N 3.08Å
280	D	98.6	Very high	97	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	7.6	176.8	66.8	-26.7	0	0	0	114.4	T63 S65 K75 T159 T160 D278 D282	T63-D280 HydrophobicContact CG2-CB 4.2Å; T63-D280 WeakPolarHBondContact CG2-OD2 3.37Å; T63-D280 WeakPolarHBondContact OG1-CB 3.38Å; S65-D280 WeakPolarHBondContact CA-OD1 3.38Å; S65-D280 VanDerWaalsContact CB-CG 3.49Å; S65-D280 WeakPolarHBondContact CB-OD1 3.35Å; S65-D280 WeakPolarHBondContact CB-OD2 3.2Å; S65-D280 PolarHBondContact OG-OD1 2.76Å; K75-D280 IonicContact NZ-OD2 3.01Å; K75-D280 PolarHBondContact NZ-OD2 2.89Å; T159-D280 WeakPolarHBondContact CB-O 3.48Å; T160-D280 WeakPolarHBondContact CB-OD2 3.31Å; T160-D280 PolarHBondContact N-O 2.96Å; T160-D280 VanDerWaalsContact N-O 3.08Å; T160-D280 PolarHBondContact OG1-OD2 3.45Å; D278-D280 VanDerWaalsContact C-N 3.27Å; D278-D280 PolarHBondContact O-N 3Å; D278-D280 VanDerWaalsContact O-N 3.13Å; D278-D280 VanDerWaalsContact OD2-OD1 3.04Å; D280-D282 VanDerWaalsContact C-N 3.33Å; D280-D282 PolarHBondContact O-N 2.88Å
281	A	98.7	Very high	97.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	56.2	39.5	178.2	0	0	0	0	0	114.1	T159 P161 F277 D278 A423	T159-A281 HydrophobicContact CG2-CB 3.93Å; P161-A281 WeakPolarHBondContact CG-O 3.38Å; F277-A281 HydrophobicContact CB-CB 4.41Å; F277-A281 HydrophobicContact CD2-CB 4.42Å; F277-A281 HydrophobicContact CG-CB 4.47Å; D278-A281 PolarHBondContact O-N 3.21Å; D278-A281 WeakPolarHBondContact OD1-CA 3.44Å; D278-A281 PolarHBondContact OD1-N 3.39Å; A281-A423 HydrophobicContact CB-CB 4.23Å; A281-A423 VanDerWaalsContact O-CB 3.22Å; A281-A423 WeakPolarHBondContact O-CB 3.39Å; A281-A423 PolarHBondContact O-N 2.74Å
282	D	98.6	Very high	97.2	Very high	4 Å²	4	20 Å²	20	2%	0.021	11%	0.105	C	C	.	.			trans	-98.5	-0.9	170.1	82.5	22.6	0	0	0	113	K75 T160 P161 D278 D280 H376	K75-D282 IonicContact NZ-OD2 2.83Å; K75-D282 PolarHBondContact NZ-OD2 3.22Å; T160-D282 HydrophobicContact CG2-CB 4.28Å; P161-D282 HydrophobicContact CG-CB 4.34Å; D278-D282 PolarHBondContact OD1-N 3.47Å; D280-D282 VanDerWaalsContact C-N 3.33Å; D280-D282 PolarHBondContact O-N 2.88Å; D282-H376 VanDerWaalsContact CG-CE1 3.47Å; D282-H376 PolarHBondContact O-ND1 3.32Å; D282-H376 IonicContact OD1-CE1 3.09Å; D282-H376 IonicContact OD1-ND1 3.04Å; D282-H376 PolarHBondContact OD1-ND1 3.05Å; D282-H376 IonicContact OD2-CE1 3.56Å; D282-H376 IonicContact OD2-ND1 2.7Å
283	R	98.7	Very high	97	Very high	26 Å²	26	20.3 Å²	20.3	10%	0.098	12%	0.119	C	C	.	.			trans	-134.2	147.5	176	-43.1	-174.7	-174.7	177	-10.7	112.5	H66 A252 D253 F277 D278 G375 H376 A423	H66-R283 PolarHBondContact ND1-NH1 2.83Å; H66-R283 PolarHBondContact ND1-NH2 2.8Å; A252-R283 HydrophobicContact CB-CB 4.18Å; D253-R283 IonicContact OD1-NH1 3.97Å; F277-R283 WeakPolarHBondContact CA-O 3.43Å; D278-R283 HydrophobicContact CB-CB 4.18Å; D278-R283 HydrophobicContact CB-CG 4.31Å; D278-R283 PolarHBondContact N-O 2.8Å; D278-R283 PolarHBondContact OD1-N 3.4Å; D278-R283 IonicContact OD2-NE 2.76Å; R283-G375 WeakPolarHBondContact CA-O 3.06Å; R283-H376 HydrophobicContact CG-CB 3.99Å; R283-A423 VanDerWaalsContact O-CB 3.25Å; R283-A423 WeakPolarHBondContact O-CB 3.26Å
284	I	98.8	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.6	172.6	-174.7	172.6	0	0	0	111.8	C275 S276 F277 Y286 I303 G375 A423 D426 M427	C275-I284 HydrophobicContact CB-CD1 4.05Å; C275-I284 HydrophobicContact CB-CG1 4.09Å; S276-I284 WeakPolarHBondContact O-CA 3.35Å; F277-I284 HydrophobicContact CD1-CB 4.4Å; F277-I284 HydrophobicContact CD1-CD1 4.35Å; F277-I284 HydrophobicContact CD1-CG1 4.26Å; F277-I284 HydrophobicContact CE1-CD1 3.89Å; F277-I284 HydrophobicContact CE1-CG1 4.29Å; I284-Y286 HydrophobicContact CD1-CD2 4.06Å; I284-Y286 HydrophobicContact CD1-CE2 3.46Å; I284-Y286 VanDerWaalsContact CD1-CE2 3.46Å; I284-Y286 HydrophobicContact CG1-CD2 4.18Å; I284-Y286 HydrophobicContact CG1-CE2 4.09Å; I284-I303 HydrophobicContact CG2-CD1 3.92Å; I284-I303 WeakPolarHBondContact O-CD1 3.22Å; I284-G375 PolarHBondContact N-O 3.06Å; I284-G375 VanDerWaalsContact N-O 3.09Å; I284-G375 WeakPolarHBondContact O-CA 3.45Å; I284-A423 HydrophobicContact CB-CB 3.97Å; I284-D426 HydrophobicContact CG2-CB 3.7Å; I284-M427 HydrophobicContact CD1-CB 3.65Å; I284-M427 HydrophobicContact CD1-CG 4.35Å
285	V	98.8	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148	163.7	-62.3	0	0	0	0	109.4	A252 V255 K256 C275 S276 L297 D299	A252-V285 HydrophobicContact CB-CG1 4.45Å; A252-V285 HydrophobicContact CB-CG2 4.08Å; V255-V285 HydrophobicContact CB-CG2 4.07Å; V255-V285 HydrophobicContact CG1-CG2 3.97Å; K256-V285 HydrophobicContact CB-CG1 4.46Å; C275-V285 CarbonylContact C-O 3.6Å; C275-V285 WeakPolarHBondContact CA-O 3.49Å; C275-V285 WeakPolarHBondContact CB-O 3.36Å; S276-V285 PolarHBondContact N-O 3.45Å; S276-V285 PolarHBondContact O-N 3.04Å; S276-V285 VanDerWaalsContact O-N 3.15Å; V285-L297 HydrophobicContact CB-CD1 4.25Å; V285-L297 HydrophobicContact CG2-CD1 4.43Å; V285-D299 HydrophobicContact CG1-CB 4.43Å
286	Y	98.7	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	158.7	172.7	-90.1	-107.4	0	0	0	110.7	L209 C274 C275 I284 L298 I430 E431 W444	L209-Y286 HydrophobicContact CD1-CE1 3.77Å; C274-Y286 CarbonylContact O-C 3.45Å; C274-Y286 VanDerWaalsContact O-CA 3.3Å; C274-Y286 WeakPolarHBondContact O-CA 3.28Å; C274-Y286 WeakPolarHBondContact O-CD1 3.4Å; C275-Y286 HydrophobicContact CB-CD1 4.1Å; C275-Y286 HydrophobicContact CB-CD2 3.73Å; C275-Y286 HydrophobicContact CB-CE1 4.05Å; C275-Y286 HydrophobicContact CB-CE2 3.65Å; C275-Y286 HydrophobicContact CB-CG 3.96Å; I284-Y286 HydrophobicContact CD1-CD2 4.06Å; I284-Y286 HydrophobicContact CD1-CE2 3.46Å; I284-Y286 VanDerWaalsContact CD1-CE2 3.46Å; I284-Y286 HydrophobicContact CG1-CD2 4.18Å; I284-Y286 HydrophobicContact CG1-CE2 4.09Å; Y286-L298 PolarHBondContact N-O 2.87Å; Y286-L298 CarbonylContact O-C 3.24Å; Y286-L298 WeakPolarHBondContact O-CA 3.46Å; Y286-L298 PolarHBondContact O-N 3.21Å; Y286-I430 HydrophobicContact CD2-CD1 3.97Å; Y286-I430 HydrophobicContact CD2-CG2 4.46Å; Y286-I430 HydrophobicContact CE1-CG2 4.2Å; Y286-I430 HydrophobicContact CE2-CB 4.23Å; Y286-I430 HydrophobicContact CE2-CD1 3.55Å; Y286-I430 HydrophobicContact CE2-CG1 4.5Å; Y286-I430 HydrophobicContact CE2-CG2 3.92Å; Y286-E431 WeakPolarHBondContact CE1-OE1 3.23Å; Y286-E431 WeakPolarHBondContact OH-CG 3.37Å; Y286-E431 PolarHBondContact OH-OE1 3.24Å; Y286-W444 HydrophobicContact CD1-CH2 4.41Å; Y286-W444 AromaticContact CD1-CZ3 3.78Å; Y286-W444 HydrophobicContact CD1-CZ3 3.78Å; Y286-W444 AromaticContact CD2-CH2 3.96Å; Y286-W444 HydrophobicContact CD2-CH2 3.96Å; Y286-W444 HydrophobicContact CD2-CZ3 4.14Å; Y286-W444 HydrophobicContact CE1-CZ3 4.4Å; Y286-W444 AromaticContact CG-CH2 3.8Å; Y286-W444 HydrophobicContact CG-CH2 3.8Å; Y286-W444 AromaticContact CG-CZ3 3.62Å; Y286-W444 HydrophobicContact CG-CZ3 3.62Å
287	Y	97.8	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	164.7	174.3	51.1	-84.2	0	0	0	110.9	V255 L261 I268 C274 S276 F295 H296	V255-Y287 HydrophobicContact CG1-CD1 3.7Å; V255-Y287 HydrophobicContact CG1-CE1 4.02Å; V255-Y287 HydrophobicContact CG1-CG 4.29Å; V255-Y287 HydrophobicContact CG2-CE1 4.28Å; L261-Y287 HydrophobicContact CD2-CD2 3.69Å; L261-Y287 HydrophobicContact CD2-CE2 3.73Å; I268-Y287 HydrophobicContact CD1-CE2 4.26Å; C274-Y287 HydrophobicContact CB-CD2 3.58Å; C274-Y287 HydrophobicContact CB-CE1 4.19Å; C274-Y287 HydrophobicContact CB-CE2 3.22Å; C274-Y287 HydrophobicContact CB-CG 4.22Å; C274-Y287 WeakPolarHBondContact CB-O 3.5Å; C274-Y287 PolarHBondContact N-O 3.41Å; C274-Y287 VanDerWaalsContact N-O 3.07Å; C274-Y287 PolarHBondContact O-N 3.22Å; S276-Y287 WeakPolarHBondContact OG-CE1 3.48Å; S276-Y287 PolarHBondContact OG-OH 3.38Å; Y287-F295 VanDerWaalsContact CB-CE2 3.46Å; Y287-F295 AromaticContact CD2-CE2 3.77Å; Y287-F295 HydrophobicContact CD2-CE2 3.77Å; Y287-F295 AromaticContact CG-CE2 3.68Å; Y287-F295 HydrophobicContact CG-CE2 3.68Å; Y287-F295 HydrophobicContact CG-CZ 4.17Å; Y287-H296 WeakPolarHBondContact CA-O 3.13Å; Y287-H296 WeakPolarHBondContact CB-O 3.4Å
288	Y	96.7	Very high	96.5	Very high	13 Å²	13	29 Å²	29	5%	0.051	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	168.8	169.9	70	-76	0	0	0	109.6	D272 D290 H296 L298 V441 Q442 D445	D272-Y288 WeakPolarHBondContact O-CB 3.21Å; Y288-D290 HydrophobicContact CE2-CB 4.23Å; Y288-H296 HydrophobicContact CD1-CB 3.75Å; Y288-H296 HydrophobicContact CE1-CB 3.27Å; Y288-H296 AromaticContact CE1-CG 3.88Å; Y288-H296 HydrophobicContact CE2-CB 4.17Å; Y288-H296 AromaticContact CE2-CD2 3.8Å; Y288-H296 HydrophobicContact CG-CB 4.38Å; Y288-H296 AromaticContact CZ-CD2 3.79Å; Y288-H296 AromaticContact CZ-CG 3.54Å; Y288-H296 PolarHBondContact N-O 2.98Å; Y288-H296 VanDerWaalsContact N-O 3.14Å; Y288-H296 PolarHBondContact O-N 2.96Å; Y288-L298 HydrophobicContact CD1-CD1 3.69Å; Y288-L298 HydrophobicContact CE1-CD1 3.9Å; Y288-V441 HydrophobicContact CD1-CB 4.35Å; Y288-V441 HydrophobicContact CD1-CG1 3.88Å; Y288-V441 HydrophobicContact CD1-CG2 3.61Å; Y288-V441 HydrophobicContact CD2-CG1 4.26Å; Y288-V441 HydrophobicContact CE1-CG2 4.24Å; Y288-V441 HydrophobicContact CG-CG1 3.74Å; Y288-V441 HydrophobicContact CG-CG2 4.25Å; Y288-Q442 HydrophobicContact CD2-CG 4.15Å; Y288-Q442 HydrophobicContact CE2-CG 3.54Å; Y288-D445 HydrophobicContact CE1-CB 3.94Å; Y288-D445 WeakPolarHBondContact CE1-OD2 3.44Å; Y288-D445 PolarHBondContact OH-OD2 3.03Å
289	T	95.2	Very high	96.5	Very high	12 Å²	12	29.2 Å²	29.2	7%	0.074	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.3	164.7	50.2	0	0	0	0	110.1	L261 P270 G271 D294	L261-T289 HydrophobicContact CD1-CG2 3.89Å; L261-T289 HydrophobicContact CD2-CG2 4.27Å; L261-T289 HydrophobicContact CG-CG2 4.38Å; P270-T289 CarbonylContact C-O 3.57Å; P270-T289 VanDerWaalsContact CA-O 3.3Å; P270-T289 WeakPolarHBondContact CA-O 3.11Å; G271-T289 PolarHBondContact N-O 3.06Å; T289-D294 CarbonylContact C-O 3.46Å; T289-D294 WeakPolarHBondContact CA-O 3.44Å
290	D	94.6	Very high	96.5	Very high	34 Å²	34	29.2 Å²	29.2	18%	0.182	17%	0.165	C	C	.	.			trans	-83.6	-174.7	175.3	71.3	20.5	0	0	0	112.6	P270 Y288 Q292 G293 D294 H296	P270-D290 WeakPolarHBondContact CB-O 3.31Å; Y288-D290 HydrophobicContact CE2-CB 4.23Å; D290-Q292 PolarHBondContact O-N 2.68Å; D290-Q292 WeakPolarHBondContact OD1-CA 3.3Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.45Å; D290-Q292 PolarHBondContact OD1-N 3.28Å; D290-G293 PolarHBondContact O-N 3.23Å; D290-G293 PolarHBondContact OD1-N 2.95Å; D290-D294 PolarHBondContact N-O 3.44Å; D290-D294 PolarHBondContact OD1-N 3.2Å; D290-H296 IonicContact OD2-CD2 3.56Å; D290-H296 IonicContact OD2-CE1 3.03Å; D290-H296 IonicContact OD2-NE2 3.65Å; D290-H296 PolarHBondContact OD2-NE2 3.49Å
291	S	94	Very high	96.5	Very high	100 Å²	100	29.2 Å²	29.2	70%	0.699	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.4	-179.3	62.1	0	0	0	0	114.4
292	Q	93.6	Very high	96.5	Very high	154 Å²	154	29.3 Å²	29.3	72%	0.72	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.5	171.7	-56.6	-51.3	-55.7	0	0	111.9	D290	D290-Q292 PolarHBondContact O-N 2.68Å; D290-Q292 WeakPolarHBondContact OD1-CA 3.3Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.45Å; D290-Q292 PolarHBondContact OD1-N 3.28Å
293	G	89.9	Confident	96.5	Very high	51 Å²	51	29.1 Å²	29.1	53%	0.526	16%	0.164	S	C	.	.			trans	91.1	9.7	-176.9	0	0	0	0	0	113.1	D290	D290-G293 PolarHBondContact O-N 3.23Å; D290-G293 PolarHBondContact OD1-N 2.95Å
294	D	92.4	Very high	96.5	Very high	96 Å²	96	28 Å²	28	51%	0.513	16%	0.16	S	C	.	.			trans	-74.9	141.5	178.2	-63.4	-40.4	0	0	0	110.1	T289 D290 H296	T289-D294 CarbonylContact C-O 3.46Å; T289-D294 WeakPolarHBondContact CA-O 3.44Å; D290-D294 PolarHBondContact N-O 3.44Å; D290-D294 PolarHBondContact OD1-N 3.2Å; D294-H296 PolarHBondContact O-CD2 2.74Å; D294-H296 VanDerWaalsContact O-CD2 3.23Å
295	F	93.8	Very high	96.5	Very high	46 Å²	46	28 Å²	28	20%	0.202	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.1	-179.6	170.8	-91.8	0	0	0	110.7	V255 Q259 L261 Y287 L297	V255-F295 HydrophobicContact CG1-CE2 4.21Å; V255-F295 HydrophobicContact CG1-CZ 3.68Å; Q259-F295 VanDerWaalsContact C-CD1 3.46Å; Q259-F295 HydrophobicContact CB-CD1 4.48Å; Q259-F295 HydrophobicContact CB-CE1 4.17Å; Q259-F295 WeakPolarHBondContact O-CD1 3.32Å; L261-F295 HydrophobicContact CD2-CD2 3.71Å; L261-F295 HydrophobicContact CD2-CE2 3.98Å; L261-F295 HydrophobicContact CG-CD2 4.02Å; Y287-F295 VanDerWaalsContact CB-CE2 3.46Å; Y287-F295 AromaticContact CD2-CE2 3.77Å; Y287-F295 HydrophobicContact CD2-CE2 3.77Å; Y287-F295 AromaticContact CG-CE2 3.68Å; Y287-F295 HydrophobicContact CG-CE2 3.68Å; Y287-F295 HydrophobicContact CG-CZ 4.17Å; F295-L297 HydrophobicContact CE1-CB 3.83Å; F295-L297 HydrophobicContact CZ-CB 4.25Å; F295-L297 HydrophobicContact CZ-CD1 4.23Å
296	H	96.1	Very high	96.5	Very high	50 Å²	50	28 Å²	28	23%	0.231	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.7	178	-66.1	-91.3	0	0	0	110.1	Y287 Y288 D290 D294 D445	Y287-H296 WeakPolarHBondContact CA-O 3.13Å; Y287-H296 WeakPolarHBondContact CB-O 3.4Å; Y288-H296 HydrophobicContact CD1-CB 3.75Å; Y288-H296 HydrophobicContact CE1-CB 3.27Å; Y288-H296 AromaticContact CE1-CG 3.88Å; Y288-H296 HydrophobicContact CE2-CB 4.17Å; Y288-H296 AromaticContact CE2-CD2 3.8Å; Y288-H296 HydrophobicContact CG-CB 4.38Å; Y288-H296 AromaticContact CZ-CD2 3.79Å; Y288-H296 AromaticContact CZ-CG 3.54Å; Y288-H296 PolarHBondContact N-O 2.98Å; Y288-H296 VanDerWaalsContact N-O 3.14Å; Y288-H296 PolarHBondContact O-N 2.96Å; D290-H296 IonicContact OD2-CD2 3.56Å; D290-H296 IonicContact OD2-CE1 3.03Å; D290-H296 IonicContact OD2-NE2 3.65Å; D290-H296 PolarHBondContact OD2-NE2 3.49Å; D294-H296 PolarHBondContact O-CD2 2.74Å; D294-H296 VanDerWaalsContact O-CD2 3.23Å; H296-D445 IonicContact CG-OD2 3.84Å; H296-D445 IonicContact ND1-OD2 3.01Å
297	L	96.9	Very high	96.5	Very high	21 Å²	21	28 Å²	28	11%	0.11	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.1	179.9	-179	65.9	0	0	0	111	V255 K256 Q259 V285 F295 D299	V255-L297 HydrophobicContact CG1-CD1 4.03Å; K256-L297 HydrophobicContact CD-CD2 3.71Å; Q259-L297 HydrophobicContact CG-CD2 4.36Å; V285-L297 HydrophobicContact CB-CD1 4.25Å; V285-L297 HydrophobicContact CG2-CD1 4.43Å; F295-L297 HydrophobicContact CE1-CB 3.83Å; F295-L297 HydrophobicContact CZ-CB 4.25Å; F295-L297 HydrophobicContact CZ-CD1 4.23Å; L297-D299 HydrophobicContact CD2-CB 4.05Å; L297-D299 HydrophobicContact CG-CB 4.08Å
298	L	98.5	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	88.9	169.2	-61.1	93.2	0	0	0	108.9	Y286 Y288 K302 V441 W444 D445	Y286-L298 PolarHBondContact N-O 2.87Å; Y286-L298 CarbonylContact O-C 3.24Å; Y286-L298 WeakPolarHBondContact O-CA 3.46Å; Y286-L298 PolarHBondContact O-N 3.21Å; Y288-L298 HydrophobicContact CD1-CD1 3.69Å; Y288-L298 HydrophobicContact CE1-CD1 3.9Å; L298-K302 HydrophobicContact CB-CB 3.99Å; L298-K302 HydrophobicContact CB-CG 4.37Å; L298-V441 HydrophobicContact CD1-CG2 3.76Å; L298-V441 HydrophobicContact CD2-CG2 3.95Å; L298-W444 HydrophobicContact CB-CH2 4.03Å; L298-W444 HydrophobicContact CB-CZ2 4.1Å; L298-W444 HydrophobicContact CB-CZ3 4.33Å; L298-W444 HydrophobicContact CD2-CB 4.25Å; L298-W444 HydrophobicContact CD2-CD2 3.28Å; L298-W444 HydrophobicContact CD2-CE3 3.39Å; L298-W444 HydrophobicContact CD2-CG 3.71Å; L298-W444 HydrophobicContact CD2-CH2 4.15Å; L298-W444 HydrophobicContact CD2-CZ2 4.07Å; L298-W444 HydrophobicContact CD2-CZ3 3.83Å; L298-D445 HydrophobicContact CD2-CB 3.99Å; L298-D445 HydrophobicContact CG-CB 4.36Å
299	D	98.3	Very high	96.6	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.032	16%	0.161	C	C	.	.			trans	-86.4	-167.4	-173.2	76.5	7.5	0	0	0	113.7	K256 V285 L297 D301 K302 I303 A373	K256-D299 HydrophobicContact CD-CB 4.1Å; K256-D299 IonicContact NZ-OD2 2.87Å; K256-D299 PolarHBondContact NZ-OD2 3.21Å; V285-D299 HydrophobicContact CG1-CB 4.43Å; L297-D299 HydrophobicContact CD2-CB 4.05Å; L297-D299 HydrophobicContact CG-CB 4.08Å; D299-D301 PolarHBondContact O-N 2.84Å; D299-D301 PolarHBondContact OD1-N 2.92Å; D299-K302 WeakPolarHBondContact O-CB 3.48Å; D299-K302 PolarHBondContact O-N 2.89Å; D299-K302 VanDerWaalsContact O-N 3.09Å; D299-I303 WeakPolarHBondContact O-CG1 3.47Å; D299-I303 PolarHBondContact O-N 2.83Å; D299-A373 WeakPolarHBondContact CB-O 3.22Å
300	G	98.5	Very high	96.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-55.8	-31.7	-179.3	0	0	0	0	0	114.9	I303 A304 F371 E372	G300-I303 PolarHBondContact O-N 2.85Å; G300-A304 WeakPolarHBondContact O-CB 3.35Å; G300-A304 PolarHBondContact O-N 3.47Å; G300-F371 VanDerWaalsContact O-CB 3.28Å; G300-F371 WeakPolarHBondContact O-CB 3.49Å; G300-E372 WeakPolarHBondContact CA-O 3.42Å
301	D	98.5	Very high	97	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-75.4	-35.2	178.3	-64.5	-56.9	0	0	0	111.5	D299 I303 A304 T305 Q328 A332 A373	D299-D301 PolarHBondContact O-N 2.84Å; D299-D301 PolarHBondContact OD1-N 2.92Å; D301-I303 VanDerWaalsContact C-N 3.29Å; D301-A304 PolarHBondContact O-N 3.01Å; D301-T305 WeakPolarHBondContact O-CB 3.41Å; D301-T305 WeakPolarHBondContact O-CG2 3.35Å; D301-T305 PolarHBondContact O-N 3.05Å; D301-T305 PolarHBondContact O-OG1 2.94Å; D301-Q328 PolarHBondContact OD1-NE2 2.89Å; D301-A332 VanDerWaalsContact OD1-CB 3.28Å; D301-A332 WeakPolarHBondContact OD1-CB 3.5Å; D301-A332 WeakPolarHBondContact OD2-CA 3.5Å; D301-A332 WeakPolarHBondContact OD2-CB 3.28Å; D301-A373 WeakPolarHBondContact OD2-CB 3.44Å
302	K	98.7	Very high	97.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-35.8	171	-67.7	-88.4	178.7	154.1	0	111.1	L298 D299 T305 L306 W444 D445 Y448 D450	L298-K302 HydrophobicContact CB-CB 3.99Å; L298-K302 HydrophobicContact CB-CG 4.37Å; D299-K302 WeakPolarHBondContact O-CB 3.48Å; D299-K302 PolarHBondContact O-N 2.89Å; D299-K302 VanDerWaalsContact O-N 3.09Å; K302-T305 WeakPolarHBondContact CA-OG1 3.33Å; K302-T305 PolarHBondContact O-OG1 3.48Å; K302-L306 WeakPolarHBondContact O-CB 3.39Å; K302-L306 PolarHBondContact O-N 3.25Å; K302-L306 VanDerWaalsContact O-N 3.12Å; K302-W444 HydrophobicContact CB-CZ2 4.1Å; K302-W444 PolarHBondContact O-NE1 2.74Å; K302-D445 PolarHBondContact NZ-O 2.65Å; K302-D445 IonicContact NZ-OD1 3.11Å; K302-D445 PolarHBondContact NZ-OD1 3.06Å; K302-Y448 HydrophobicContact CD-CE1 3.94Å; K302-Y448 HydrophobicContact CD-CE2 4.39Å; K302-Y448 PolarHBondContact N-OH 3.34Å; K302-Y448 PolarHBondContact NZ-O 3.1Å; K302-D450 VanDerWaalsContact CE-OD2 3.29Å; K302-D450 WeakPolarHBondContact CE-OD2 3.36Å; K302-D450 IonicContact NZ-OD2 3.29Å
303	I	98.8	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68	-50.3	174	-63.8	167.8	0	0	0	110.7	I284 D299 G300 D301 T305 L306 I307 F371 I430 W444	I284-I303 HydrophobicContact CG2-CD1 3.92Å; I284-I303 WeakPolarHBondContact O-CD1 3.22Å; D299-I303 WeakPolarHBondContact O-CG1 3.47Å; D299-I303 PolarHBondContact O-N 2.83Å; G300-I303 PolarHBondContact O-N 2.85Å; D301-I303 VanDerWaalsContact C-N 3.29Å; I303-T305 VanDerWaalsContact C-N 3.32Å; I303-T305 PolarHBondContact O-N 2.85Å; I303-L306 PolarHBondContact O-N 3.3Å; I303-I307 HydrophobicContact CG2-CD1 3.58Å; I303-I307 HydrophobicContact CG2-CG1 4.37Å; I303-I307 WeakPolarHBondContact O-CG1 3.27Å; I303-I307 PolarHBondContact O-N 3Å; I303-F371 HydrophobicContact CB-CD1 4.36Å; I303-F371 HydrophobicContact CB-CE1 4.37Å; I303-F371 HydrophobicContact CG2-CD1 4.01Å; I303-F371 HydrophobicContact CG2-CD2 4.5Å; I303-F371 HydrophobicContact CG2-CE1 3.56Å; I303-F371 HydrophobicContact CG2-CE2 4.11Å; I303-F371 HydrophobicContact CG2-CG 4.48Å; I303-F371 HydrophobicContact CG2-CZ 3.63Å; I303-I430 HydrophobicContact CB-CD1 4.44Å; I303-I430 HydrophobicContact CD1-CD1 4Å; I303-I430 HydrophobicContact CG1-CD1 3.79Å; I303-I430 HydrophobicContact CG2-CD1 3.87Å; I303-I430 HydrophobicContact CG2-CG1 4.26Å; I303-W444 HydrophobicContact CG1-CH2 4.04Å; I303-W444 HydrophobicContact CG1-CZ2 3.91Å
304	A	98.7	Very high	97.7	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-58.9	-42.4	179.6	0	0	0	0	0	112.5	G300 D301 S308 V326 V369 F371	G300-A304 WeakPolarHBondContact O-CB 3.35Å; G300-A304 PolarHBondContact O-N 3.47Å; D301-A304 PolarHBondContact O-N 3.01Å; A304-S308 WeakPolarHBondContact O-CB 3.29Å; A304-S308 PolarHBondContact O-N 2.96Å; A304-S308 PolarHBondContact O-OG 3.03Å; A304-V326 HydrophobicContact CB-CG1 4.1Å; A304-V369 HydrophobicContact CB-CG1 4.1Å; A304-F371 HydrophobicContact CB-CB 4.09Å; A304-F371 HydrophobicContact CB-CD2 3.81Å; A304-F371 HydrophobicContact CB-CG 4.23Å
305	T	98.5	Very high	98	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.7	-40.6	177.4	50.7	0	0	0	0	112.2	D301 K302 I303 S308 T309 Y339 L340 Y448	D301-T305 WeakPolarHBondContact O-CB 3.41Å; D301-T305 WeakPolarHBondContact O-CG2 3.35Å; D301-T305 PolarHBondContact O-N 3.05Å; D301-T305 PolarHBondContact O-OG1 2.94Å; K302-T305 WeakPolarHBondContact CA-OG1 3.33Å; K302-T305 PolarHBondContact O-OG1 3.48Å; I303-T305 VanDerWaalsContact C-N 3.32Å; I303-T305 PolarHBondContact O-N 2.85Å; T305-S308 WeakPolarHBondContact CA-OG 3.27Å; T305-S308 PolarHBondContact O-OG 3.21Å; T305-T309 VanDerWaalsContact O-CB 3.22Å; T305-T309 WeakPolarHBondContact O-CB 3.39Å; T305-T309 PolarHBondContact O-N 3.33Å; T305-T309 PolarHBondContact O-OG1 3.42Å; T305-Y339 HydrophobicContact CG2-CD1 4.24Å; T305-L340 HydrophobicContact CG2-CD1 4.06Å; T305-L340 HydrophobicContact CG2-CD2 3.79Å; T305-L340 HydrophobicContact CG2-CG 3.82Å; T305-Y448 HydrophobicContact CG2-CD1 4.43Å; T305-Y448 HydrophobicContact CG2-CE1 3.66Å; T305-Y448 WeakPolarHBondContact OG1-CE1 3.37Å
306	L	98.8	Very high	98.1	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-61.1	-51.6	174.3	-179.1	66.6	0	0	0	111.7	K302 I303 T309 F310 I430 I433 L434 M439 W444 I447	K302-L306 WeakPolarHBondContact O-CB 3.39Å; K302-L306 PolarHBondContact O-N 3.25Å; K302-L306 VanDerWaalsContact O-N 3.12Å; I303-L306 PolarHBondContact O-N 3.3Å; L306-T309 PolarHBondContact O-N 3.23Å; L306-F310 PolarHBondContact O-N 2.9Å; L306-I430 HydrophobicContact CD2-CG1 4.44Å; L306-I430 HydrophobicContact CD2-CG2 3.99Å; L306-I433 HydrophobicContact CD1-CG2 3.73Å; L306-I433 HydrophobicContact CD2-CB 4.48Å; L306-I433 HydrophobicContact CD2-CG2 4.26Å; L306-I433 HydrophobicContact CG-CD1 4.42Å; L306-I433 HydrophobicContact CG-CG2 3.88Å; L306-L434 HydrophobicContact CD2-CD2 4.31Å; L306-M439 HydrophobicContact CD1-SD 4.27Å; L306-W444 HydrophobicContact CB-CZ2 4.48Å; L306-W444 HydrophobicContact CD1-CG 4.32Å; L306-W444 HydrophobicContact CD2-CD2 3.92Å; L306-W444 HydrophobicContact CD2-CE3 4.34Å; L306-W444 HydrophobicContact CD2-CG 4.33Å; L306-W444 HydrophobicContact CD2-CH2 4.47Å; L306-W444 HydrophobicContact CD2-CZ2 4.05Å; L306-I447 HydrophobicContact CD1-CD1 4.35Å
307	I	98.8	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-48.1	-177	-66.7	170.1	0	0	0	110.8	I303 T309 F310 L311 F371 V379 L429 I433	I303-I307 HydrophobicContact CG2-CD1 3.58Å; I303-I307 HydrophobicContact CG2-CG1 4.37Å; I303-I307 WeakPolarHBondContact O-CG1 3.27Å; I303-I307 PolarHBondContact O-N 3Å; I307-T309 VanDerWaalsContact C-N 3.28Å; I307-T309 PolarHBondContact O-N 2.89Å; I307-F310 PolarHBondContact O-N 3.45Å; I307-L311 HydrophobicContact CG2-CD1 3.76Å; I307-L311 HydrophobicContact CG2-CG 4.26Å; I307-L311 WeakPolarHBondContact O-CB 3.18Å; I307-L311 VanDerWaalsContact O-CG 3.32Å; I307-L311 WeakPolarHBondContact O-CG 3.47Å; I307-L311 PolarHBondContact O-N 3.12Å; I307-F371 HydrophobicContact CD1-CE2 3.93Å; I307-F371 HydrophobicContact CD1-CZ 3.87Å; I307-V379 HydrophobicContact CG2-CG2 3.65Å; I307-L429 HydrophobicContact CD1-CD2 3.68Å; I307-L429 HydrophobicContact CD1-CG 4.47Å; I307-L429 HydrophobicContact CG1-CD2 3.87Å; I307-L429 HydrophobicContact CG1-CG 4.38Å; I307-L429 HydrophobicContact CG2-CD2 4.17Å; I307-I433 HydrophobicContact CB-CD1 4.47Å; I307-I433 HydrophobicContact CG1-CD1 3.9Å
308	S	98.5	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.6	-34	179.2	58.8	0	0	0	0	112.6	A304 T305 K312	A304-S308 WeakPolarHBondContact O-CB 3.29Å; A304-S308 PolarHBondContact O-N 2.96Å; A304-S308 PolarHBondContact O-OG 3.03Å; T305-S308 WeakPolarHBondContact CA-OG 3.27Å; T305-S308 PolarHBondContact O-OG 3.21Å; S308-K312 VanDerWaalsContact O-CB 3.28Å; S308-K312 WeakPolarHBondContact O-CB 3.36Å; S308-K312 PolarHBondContact O-N 3.25Å
309	T	97.9	Very high	98	Very high	11 Å²	11	20.7 Å²	20.7	7%	0.067	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-49.2	173.4	-58.4	0	0	0	0	111.5	T305 L306 I307 L311 K312 E313 M344	T305-T309 VanDerWaalsContact O-CB 3.22Å; T305-T309 WeakPolarHBondContact O-CB 3.39Å; T305-T309 PolarHBondContact O-N 3.33Å; T305-T309 PolarHBondContact O-OG1 3.42Å; L306-T309 PolarHBondContact O-N 3.23Å; I307-T309 VanDerWaalsContact C-N 3.28Å; I307-T309 PolarHBondContact O-N 2.89Å; T309-L311 PolarHBondContact O-N 3.25Å; T309-K312 PolarHBondContact O-N 2.79Å; T309-E313 WeakPolarHBondContact O-CG 3.44Å; T309-E313 PolarHBondContact O-N 2.97Å; T309-M344 VanDerWaalsContact CA-CE 3.49Å; T309-M344 HydrophobicContact CG2-CE 4.12Å; T309-M344 HydrophobicContact CG2-SD 4.01Å
310	F	98.4	Very high	97.9	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.022	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-46.5	177.2	-179.2	-115	0	0	0	112.2	L306 I307 K312 E313 L314 I433 I436	L306-F310 PolarHBondContact O-N 2.9Å; I307-F310 PolarHBondContact O-N 3.45Å; F310-K312 PolarHBondContact O-N 3.34Å; F310-E313 PolarHBondContact O-N 2.99Å; F310-L314 HydrophobicContact CD1-CD1 3.99Å; F310-L314 HydrophobicContact CD2-CD1 4.43Å; F310-L314 HydrophobicContact CD2-CG 4.46Å; F310-L314 HydrophobicContact CE1-CD1 3.49Å; F310-L314 VanDerWaalsContact CE1-CD1 3.49Å; F310-L314 HydrophobicContact CE1-CG 4.46Å; F310-L314 HydrophobicContact CE2-CD1 3.97Å; F310-L314 HydrophobicContact CE2-CD2 4.42Å; F310-L314 HydrophobicContact CE2-CG 4.18Å; F310-L314 HydrophobicContact CG-CD1 4.45Å; F310-L314 HydrophobicContact CZ-CD1 3.49Å; F310-L314 VanDerWaalsContact CZ-CD1 3.49Å; F310-L314 HydrophobicContact CZ-CG 4.21Å; F310-L314 WeakPolarHBondContact O-CG 3.08Å; F310-L314 PolarHBondContact O-N 3Å; F310-I433 HydrophobicContact CB-CD1 3.97Å; F310-I433 HydrophobicContact CB-CG1 4.15Å; F310-I433 HydrophobicContact CB-CG2 4.03Å; F310-I433 HydrophobicContact CD1-CD1 3.85Å; F310-I433 HydrophobicContact CD1-CG1 3.59Å; F310-I433 HydrophobicContact CD2-CG1 4.29Å; F310-I433 HydrophobicContact CD2-CG2 4.15Å; F310-I433 HydrophobicContact CE1-CG1 3.94Å; F310-I433 HydrophobicContact CG-CD1 4.05Å; F310-I433 HydrophobicContact CG-CG1 3.76Å; F310-I433 HydrophobicContact CG-CG2 4.09Å; F310-I433 HydrophobicContact CZ-CG1 4.43Å; F310-I436 HydrophobicContact CE2-CD1 4.37Å; F310-I436 HydrophobicContact CE2-CG2 4.08Å; F310-I436 HydrophobicContact CZ-CD1 3.92Å
311	L	98.6	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-45.7	177.2	-70.1	172.1	0	0	0	111.6	I307 T309 E313 L314 L315 I324 I367 V369 V379 F381 L409 T412	I307-L311 HydrophobicContact CG2-CD1 3.76Å; I307-L311 HydrophobicContact CG2-CG 4.26Å; I307-L311 WeakPolarHBondContact O-CB 3.18Å; I307-L311 VanDerWaalsContact O-CG 3.32Å; I307-L311 WeakPolarHBondContact O-CG 3.47Å; I307-L311 PolarHBondContact O-N 3.12Å; T309-L311 PolarHBondContact O-N 3.25Å; L311-E313 PolarHBondContact O-N 3.17Å; L311-L314 PolarHBondContact O-N 2.87Å; L311-L315 WeakPolarHBondContact O-CB 3.47Å; L311-L315 WeakPolarHBondContact O-CG 3.32Å; L311-L315 PolarHBondContact O-N 3.15Å; L311-I324 HydrophobicContact CB-CD1 4.01Å; L311-I367 HydrophobicContact CD1-CG2 4.04Å; L311-V369 HydrophobicContact CD1-CG2 3.95Å; L311-V379 HydrophobicContact CD1-CG1 3.99Å; L311-V379 HydrophobicContact CD1-CG2 4.4Å; L311-F381 HydrophobicContact CD1-CZ 4.44Å; L311-F381 HydrophobicContact CD2-CE1 4.38Å; L311-F381 HydrophobicContact CD2-CZ 4.13Å; L311-L409 HydrophobicContact CD2-CD2 3.91Å; L311-T412 HydrophobicContact CD2-CG2 3.76Å
312	K	97.7	Very high	97.8	Very high	54 Å²	54	29.7 Å²	29.7	24%	0.235	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-44.2	179.9	-172.2	179.6	-173.1	-176.4	0	112.1	S308 T309 F310 L315 N316 M344 V346	S308-K312 VanDerWaalsContact O-CB 3.28Å; S308-K312 WeakPolarHBondContact O-CB 3.36Å; S308-K312 PolarHBondContact O-N 3.25Å; T309-K312 PolarHBondContact O-N 2.79Å; F310-K312 PolarHBondContact O-N 3.34Å; K312-L315 PolarHBondContact O-N 3.45Å; K312-N316 VanDerWaalsContact O-CG 3.23Å; K312-N316 PolarHBondContact O-N 2.9Å; K312-N316 PolarHBondContact O-ND2 2.98Å; K312-M344 HydrophobicContact CB-CE 3.93Å; K312-M344 HydrophobicContact CD-CE 3.57Å; K312-M344 HydrophobicContact CG-CE 4.32Å; K312-M344 PolarHBondContact NZ-O 3.31Å; K312-V346 HydrophobicContact CD-CG1 3.9Å
313	E	97.3	Very high	97.6	Very high	72 Å²	72	36.1 Å²	36.1	34%	0.336	19%	0.19	S	C	.	.	H	α-helix	trans	-59.5	-49.4	176.1	-72.9	172.5	-173.1	0	0	111.2	T309 F310 L311 L315 N316 E317 K437	T309-E313 WeakPolarHBondContact O-CG 3.44Å; T309-E313 PolarHBondContact O-N 2.97Å; F310-E313 PolarHBondContact O-N 2.99Å; L311-E313 PolarHBondContact O-N 3.17Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-L315 PolarHBondContact O-N 2.94Å; E313-N316 WeakPolarHBondContact O-CB 3.32Å; E313-N316 PolarHBondContact O-N 3.04Å; E313-E317 WeakPolarHBondContact O-CG 3.26Å; E313-E317 PolarHBondContact O-N 2.92Å; E313-K437 IonicContact OE1-NZ 3.56Å; E313-K437 PolarHBondContact OE1-NZ 2.71Å; E313-K437 WeakPolarHBondContact OE2-CE 3.49Å; E313-K437 IonicContact OE2-NZ 3.6Å; E313-K437 PolarHBondContact OE2-NZ 3.31Å
314	L	98.1	Very high	97.6	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-36.5	178.9	-69.4	-178.9	0	0	0	113	F310 L311 E317 A318 A405 L408 L409	F310-L314 HydrophobicContact CD1-CD1 3.99Å; F310-L314 HydrophobicContact CD2-CD1 4.43Å; F310-L314 HydrophobicContact CD2-CG 4.46Å; F310-L314 HydrophobicContact CE1-CD1 3.49Å; F310-L314 VanDerWaalsContact CE1-CD1 3.49Å; F310-L314 HydrophobicContact CE1-CG 4.46Å; F310-L314 HydrophobicContact CE2-CD1 3.97Å; F310-L314 HydrophobicContact CE2-CD2 4.42Å; F310-L314 HydrophobicContact CE2-CG 4.18Å; F310-L314 HydrophobicContact CG-CD1 4.45Å; F310-L314 HydrophobicContact CZ-CD1 3.49Å; F310-L314 VanDerWaalsContact CZ-CD1 3.49Å; F310-L314 HydrophobicContact CZ-CG 4.21Å; F310-L314 WeakPolarHBondContact O-CG 3.08Å; F310-L314 PolarHBondContact O-N 3Å; L311-L314 PolarHBondContact O-N 2.87Å; L314-E317 PolarHBondContact O-N 3.45Å; L314-A318 WeakPolarHBondContact O-CB 3.27Å; L314-A318 PolarHBondContact O-N 3.36Å; L314-A405 HydrophobicContact CD2-CB 4.29Å; L314-L408 HydrophobicContact CD1-CB 3.76Å; L314-L408 HydrophobicContact CD2-CB 3.99Å; L314-L408 HydrophobicContact CD2-CD1 3.77Å; L314-L409 HydrophobicContact CB-CD1 4.16Å; L314-L409 HydrophobicContact CB-CD2 3.72Å; L314-L409 HydrophobicContact CB-CG 3.73Å; L314-L409 HydrophobicContact CD1-CD2 4.01Å; L314-L409 HydrophobicContact CD1-CG 4.04Å
315	L	97.8	Very high	97.5	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-42.3	175	-70.7	166.5	0	0	0	111.5	L311 K312 E313 A318 G319 L320 L322 I367 L409	L311-L315 WeakPolarHBondContact O-CB 3.47Å; L311-L315 WeakPolarHBondContact O-CG 3.32Å; L311-L315 PolarHBondContact O-N 3.15Å; K312-L315 PolarHBondContact O-N 3.45Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-L315 PolarHBondContact O-N 2.94Å; L315-A318 PolarHBondContact O-N 2.82Å; L315-G319 PolarHBondContact O-N 2.93Å; L315-L320 HydrophobicContact CD2-CB 3.92Å; L315-L320 HydrophobicContact CD2-CD1 4.22Å; L315-L320 PolarHBondContact O-N 3.08Å; L315-L322 HydrophobicContact CD2-CB 4.23Å; L315-L322 HydrophobicContact CD2-CD1 3.79Å; L315-L322 HydrophobicContact CD2-CG 4.31Å; L315-I367 HydrophobicContact CD1-CD1 3.68Å; L315-I367 HydrophobicContact CD2-CD1 4.05Å; L315-I367 HydrophobicContact CG-CD1 4.37Å; L315-L409 HydrophobicContact CD2-CD1 3.96Å; L315-L409 HydrophobicContact CD2-CD2 4.37Å; L315-L409 HydrophobicContact CG-CD1 4.47Å; L315-L409 HydrophobicContact CG-CD2 4.4Å
316	N	96.8	Very high	97.6	Very high	111 Å²	111	36.9 Å²	36.9	59%	0.594	19%	0.193	S	C	*	.	H	α-helix	trans	-63.1	-47	175.5	-68.4	-25.8	0	0	0	111.2	K312 E313 A318 G319	K312-N316 VanDerWaalsContact O-CG 3.23Å; K312-N316 PolarHBondContact O-N 2.9Å; K312-N316 PolarHBondContact O-ND2 2.98Å; E313-N316 WeakPolarHBondContact O-CB 3.32Å; E313-N316 PolarHBondContact O-N 3.04Å; N316-A318 VanDerWaalsContact C-N 3.33Å; N316-A318 PolarHBondContact O-N 2.92Å; N316-G319 PolarHBondContact O-N 2.84Å
317	E	96.8	Very high	97.6	Very high	112 Å²	112	36.8 Å²	36.8	52%	0.523	19%	0.193	S	C	.	.	H	α-helix	trans	-62.5	-39.5	176.8	-72.2	176.9	-168.6	0	0	111.9	E313 L314 G319 R402 A405	E313-E317 WeakPolarHBondContact O-CG 3.26Å; E313-E317 PolarHBondContact O-N 2.92Å; L314-E317 PolarHBondContact O-N 3.45Å; E317-G319 PolarHBondContact O-N 2.96Å; E317-R402 WeakPolarHBondContact O-CG 3.4Å; E317-A405 HydrophobicContact CB-CB 3.67Å
318	A	96.9	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72	-15.1	175.1	0	0	0	0	0	112.7	L314 L315 N316 L320 L392 R402 A405 L409	L314-A318 WeakPolarHBondContact O-CB 3.27Å; L314-A318 PolarHBondContact O-N 3.36Å; L315-A318 PolarHBondContact O-N 2.82Å; N316-A318 VanDerWaalsContact C-N 3.33Å; N316-A318 PolarHBondContact O-N 2.92Å; A318-L320 VanDerWaalsContact C-N 3.33Å; A318-L320 HydrophobicContact CB-CB 4.5Å; A318-L320 HydrophobicContact CB-CD1 3.98Å; A318-L320 HydrophobicContact CB-CG 3.97Å; A318-L392 HydrophobicContact CB-CD2 3.82Å; A318-L392 WeakPolarHBondContact O-CD2 3.37Å; A318-R402 VanDerWaalsContact O-CZ 3.25Å; A318-R402 PolarHBondContact O-NE 3.18Å; A318-R402 PolarHBondContact O-NH2 3.23Å; A318-A405 HydrophobicContact CB-CB 3.99Å; A318-L409 HydrophobicContact CB-CD1 4.08Å
319	G	96.3	Very high	97.5	Very high	48 Å²	48	37.2 Å²	37.2	50%	0.495	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	37.5	-173	0	0	0	0	0	112.6	L315 N316 E317	L315-G319 PolarHBondContact O-N 2.93Å; N316-G319 PolarHBondContact O-N 2.84Å; E317-G319 PolarHBondContact O-N 2.96Å
320	L	96.6	Very high	97.4	Very high	29 Å²	29	36.8 Å²	36.8	15%	0.152	19%	0.193	C	C	.	.			trans	-102.2	119.5	178	-71.2	175	0	0	0	110.1	L315 A318 L322 I389 L392 L409	L315-L320 HydrophobicContact CD2-CB 3.92Å; L315-L320 HydrophobicContact CD2-CD1 4.22Å; L315-L320 PolarHBondContact O-N 3.08Å; A318-L320 VanDerWaalsContact C-N 3.33Å; A318-L320 HydrophobicContact CB-CB 4.5Å; A318-L320 HydrophobicContact CB-CD1 3.98Å; A318-L320 HydrophobicContact CB-CG 3.97Å; L320-L322 HydrophobicContact CB-CG 4.4Å; L320-L322 PolarHBondContact O-N 2.82Å; L320-I389 HydrophobicContact CD1-CG1 3.73Å; L320-L392 HydrophobicContact CD1-CD2 3.93Å; L320-L392 HydrophobicContact CD2-CD2 4Å; L320-L392 HydrophobicContact CG-CD2 3.84Å; L320-L409 HydrophobicContact CD1-CD1 4.11Å
321	D	95.8	Very high	97.3	Very high	155 Å²	155	37.6 Å²	37.6	83%	0.829	20%	0.196	S	C	*	.			trans	-88.9	87.8	172.8	-172.4	21.8	0	0	0	109.6
322	L	97.2	Very high	97.3	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.063	20%	0.197	C	C	.	.			trans	-120.4	135.1	176.7	-65.1	179.1	0	0	0	109.6	L315 L320 I324 D366 I367 A385 K388 I389	L315-L322 HydrophobicContact CD2-CB 4.23Å; L315-L322 HydrophobicContact CD2-CD1 3.79Å; L315-L322 HydrophobicContact CD2-CG 4.31Å; L320-L322 HydrophobicContact CB-CG 4.4Å; L320-L322 PolarHBondContact O-N 2.82Å; L322-I324 PolarHBondContact O-N 3.04Å; L322-D366 HydrophobicContact CB-CB 3.98Å; L322-D366 HydrophobicContact CD2-CB 4.12Å; L322-I367 HydrophobicContact CB-CD1 4.34Å; L322-I367 HydrophobicContact CD1-CD1 4.16Å; L322-A385 HydrophobicContact CD1-CB 3.93Å; L322-A385 HydrophobicContact CD2-CB 4.39Å; L322-K388 HydrophobicContact CD2-CD 3.79Å; L322-I389 HydrophobicContact CD1-CD1 4.14Å; L322-I389 HydrophobicContact CD1-CG1 4.29Å
323	K	95.8	Very high	97.3	Very high	138 Å²	138	35.3 Å²	35.3	60%	0.6	19%	0.187	S	C	*	.			trans	-75.6	109.3	179.8	-67.4	-179	-177.6	176.1	0	110.5	D366 I367	K323-D366 WeakPolarHBondContact CB-OD2 3.23Å; K323-D366 PolarHBondContact N-OD2 2.98Å; K323-D366 PolarHBondContact O-N 2.92Å; K323-I367 PolarHBondContact O-N 3.07Å; K323-I367 VanDerWaalsContact O-N 3.14Å
324	I	97.6	Very high	97.3	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.082	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.4	170.6	-169.3	168.6	0	0	0	111.1	L311 L322 V346 I367 V369	L311-I324 HydrophobicContact CB-CD1 4.01Å; L322-I324 PolarHBondContact O-N 3.04Å; I324-V346 HydrophobicContact CG2-CB 4.24Å; I324-V346 HydrophobicContact CG2-CG1 3.71Å; I324-I367 WeakPolarHBondContact CA-O 3.37Å; I324-I367 HydrophobicContact CD1-CG2 4.46Å; I324-I367 HydrophobicContact CG1-CB 4.39Å; I324-I367 HydrophobicContact CG1-CG2 4.26Å; I324-V369 HydrophobicContact CD1-CG2 4.33Å
325	A	98.4	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.3	168.7	0	0	0	0	0	111.5	I347 F365 I367 V369	A325-I347 CarbonylContact C-O 3.52Å; A325-I347 VanDerWaalsContact CA-O 3.26Å; A325-I347 WeakPolarHBondContact CA-O 3.42Å; A325-I347 HydrophobicContact CB-CB 3.94Å; A325-I347 HydrophobicContact CB-CG2 4.11Å; A325-F365 HydrophobicContact CB-CB 4.24Å; A325-F365 HydrophobicContact CB-CD1 3.6Å; A325-F365 HydrophobicContact CB-CD2 3.36Å; A325-F365 HydrophobicContact CB-CE1 3.57Å; A325-F365 HydrophobicContact CB-CE2 3.3Å; A325-F365 HydrophobicContact CB-CG 3.46Å; A325-F365 VanDerWaalsContact CB-CG 3.46Å; A325-F365 HydrophobicContact CB-CZ 3.37Å; A325-I367 PolarHBondContact N-O 3.39Å; A325-V369 PolarHBondContact O-N 2.93Å
326	V	98.7	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.8	170.6	-173.4	0	0	0	0	108.7	A304 Q328 L340 V346 I347 V348 K349 V369	A304-V326 HydrophobicContact CB-CG1 4.1Å; V326-Q328 HydrophobicContact CG1-CG 4.19Å; V326-L340 HydrophobicContact CB-CD1 3.98Å; V326-L340 HydrophobicContact CB-CD2 4.42Å; V326-L340 HydrophobicContact CG1-CD1 3.7Å; V326-L340 HydrophobicContact CG2-CD1 4.33Å; V326-L340 HydrophobicContact CG2-CD2 3.87Å; V326-V346 HydrophobicContact CG2-CG2 4.06Å; V326-I347 PolarHBondContact N-O 3.12Å; V326-V348 VanDerWaalsContact O-CA 3.3Å; V326-V348 WeakPolarHBondContact O-CA 3.39Å; V326-K349 PolarHBondContact O-N 3.3Å; V326-V369 CarbonylContact C-O 3.56Å; V326-V369 VanDerWaalsContact CA-O 3.28Å; V326-V369 WeakPolarHBondContact CA-O 3.3Å; V326-V369 HydrophobicContact CG2-CB 4.33Å
327	V	98.7	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.1	-179.7	-172.1	0	0	0	0	109	K349 T351 L358 A361 A362 V369 Y370	V327-K349 CarbonylContact C-O 3.6Å; V327-K349 WeakPolarHBondContact CA-O 3.34Å; V327-K349 HydrophobicContact CG1-CB 4.49Å; V327-K349 HydrophobicContact CG2-CB 4.44Å; V327-T351 HydrophobicContact CG1-CG2 3.62Å; V327-L358 HydrophobicContact CG1-CB 4.3Å; V327-L358 HydrophobicContact CG1-CG 4.34Å; V327-A361 HydrophobicContact CG1-CB 3.95Å; V327-A361 HydrophobicContact CG2-CB 4.32Å; V327-A362 HydrophobicContact CG2-CB 4.06Å; V327-V369 PolarHBondContact N-O 3.42Å; V327-Y370 WeakPolarHBondContact O-CA 3.22Å
328	Q	98.4	Very high	97.4	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	169.6	-178.1	-64.3	-174.3	-66.2	0	0	110.6	D301 V326 A332 S336 T337 K349 C350 T351	D301-Q328 PolarHBondContact OD1-NE2 2.89Å; V326-Q328 HydrophobicContact CG1-CG 4.19Å; Q328-A332 HydrophobicContact CB-CB 3.84Å; Q328-A332 HydrophobicContact CG-CB 4.14Å; Q328-S336 PolarHBondContact NE2-OG 3.44Å; Q328-T337 PolarHBondContact OE1-OG1 3.4Å; Q328-K349 PolarHBondContact N-O 3.47Å; Q328-C350 CarbonylContact O-C 3.6Å; Q328-C350 VanDerWaalsContact O-CA 3.31Å; Q328-C350 WeakPolarHBondContact O-CA 3.39Å; Q328-T351 PolarHBondContact O-N 2.88Å
329	T	97.4	Very high	97.5	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	176.2	166.3	67.3	0	0	0	0	110.1	Y331 A332 L358 E372	T329-Y331 PolarHBondContact O-N 3.19Å; T329-Y331 VanDerWaalsContact O-N 3.13Å; T329-Y331 PolarHBondContact OG1-N 3.06Å; T329-A332 WeakPolarHBondContact O-CB 3.41Å; T329-A332 PolarHBondContact O-N 2.86Å; T329-A332 VanDerWaalsContact O-N 3.13Å; T329-L358 HydrophobicContact CG2-CD1 3.64Å; T329-L358 HydrophobicContact CG2-CD2 4.1Å; T329-L358 HydrophobicContact CG2-CG 4.15Å; T329-E372 HydrophobicContact CG2-CG 3.94Å
330	A	96.8	Very high	97.6	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.9	173.8	0	0	0	0	0	113.7	A332 R473 R496 F498	A330-A332 PolarHBondContact O-N 2.73Å; A330-R473 HydrophobicContact CB-CG 3.67Å; A330-R496 PolarHBondContact O-NH1 2.91Å; A330-R496 PolarHBondContact O-NH2 2.85Å; A330-F498 HydrophobicContact CB-CD1 4.16Å; A330-F498 HydrophobicContact CB-CD2 4.15Å; A330-F498 HydrophobicContact CB-CE1 3.71Å; A330-F498 HydrophobicContact CB-CE2 3.7Å; A330-F498 HydrophobicContact CB-CG 4.36Å; A330-F498 HydrophobicContact CB-CZ 3.47Å; A330-F498 VanDerWaalsContact CB-CZ 3.47Å; A330-F498 WeakPolarHBondContact O-CE1 3.17Å
331	Y	96.3	Very high	97.6	Very high	22 Å²	22	32.5 Å²	32.5	9%	0.086	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.1	177.9	-72.5	-76.2	0	0	0	114.3	T329 T353 Q455 F498 R500 R509 Y511	T329-Y331 PolarHBondContact O-N 3.19Å; T329-Y331 VanDerWaalsContact O-N 3.13Å; T329-Y331 PolarHBondContact OG1-N 3.06Å; Y331-T353 HydrophobicContact CE2-CG2 4.31Å; Y331-Q455 HydrophobicContact CE1-CG 4.5Å; Y331-F498 HydrophobicContact CD1-CE1 4.48Å; Y331-F498 AromaticContact CD1-CZ 3.77Å; Y331-F498 HydrophobicContact CD1-CZ 3.77Å; Y331-F498 HydrophobicContact CD2-CZ 4.08Å; Y331-F498 HydrophobicContact CE1-CE2 4.3Å; Y331-F498 AromaticContact CE1-CZ 3.75Å; Y331-F498 HydrophobicContact CE1-CZ 3.75Å; Y331-F498 HydrophobicContact CE2-CE2 4.22Å; Y331-F498 HydrophobicContact CE2-CZ 4.06Å; Y331-F498 AromaticContact CG-CZ 3.93Å; Y331-F498 HydrophobicContact CG-CZ 3.93Å; Y331-F498 AromaticContact CZ-CZ 3.9Å; Y331-R500 WeakPolarHBondContact OH-CD 3.29Å; Y331-R500 WeakPolarHBondContact OH-CG 3.14Å; Y331-R509 VanDerWaalsContact OH-CB 3.25Å; Y331-R509 WeakPolarHBondContact OH-CB 3.25Å; Y331-R509 VanDerWaalsContact OH-CD 3.32Å; Y331-R509 WeakPolarHBondContact OH-CD 3.33Å; Y331-Y511 AromaticContact CD1-CD2 3.95Å; Y331-Y511 HydrophobicContact CD1-CD2 3.95Å; Y331-Y511 HydrophobicContact CD1-CG 4.31Å
332	A	97.6	Very high	97.6	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.025	14%	0.144	C	C	.	.	S	Bend	trans	-63.1	139.4	177.9	0	0	0	0	0	111.2	D301 Q328 T329 A330 G334 R496	D301-A332 VanDerWaalsContact OD1-CB 3.28Å; D301-A332 WeakPolarHBondContact OD1-CB 3.5Å; D301-A332 WeakPolarHBondContact OD2-CA 3.5Å; D301-A332 WeakPolarHBondContact OD2-CB 3.28Å; Q328-A332 HydrophobicContact CB-CB 3.84Å; Q328-A332 HydrophobicContact CG-CB 4.14Å; T329-A332 WeakPolarHBondContact O-CB 3.41Å; T329-A332 PolarHBondContact O-N 2.86Å; T329-A332 VanDerWaalsContact O-N 3.13Å; A330-A332 PolarHBondContact O-N 2.73Å; A332-G334 PolarHBondContact O-N 2.84Å; A332-R496 PolarHBondContact O-NH2 3.26Å
333	N	97.8	Very high	97.6	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.167	C	C	.	.			trans	-64.4	135.2	177.4	-168.1	-77.8	0	0	0	110	S335 S336 T337 D450 L451 N453	N333-S335 PolarHBondContact O-N 3.19Å; N333-S335 VanDerWaalsContact O-N 3.14Å; N333-S335 VanDerWaalsContact OD1-CB 3.28Å; N333-S335 WeakPolarHBondContact OD1-CB 3.34Å; N333-S335 PolarHBondContact OD1-N 2.98Å; N333-S336 WeakPolarHBondContact O-CB 3.38Å; N333-S336 PolarHBondContact O-N 3.49Å; N333-S336 PolarHBondContact O-OG 3.32Å; N333-T337 PolarHBondContact O-N 3.46Å; N333-D450 WeakPolarHBondContact CB-OD1 3.47Å; N333-D450 PolarHBondContact OD1-OD1 2.93Å; N333-L451 PolarHBondContact ND2-N 3.19Å; N333-L451 PolarHBondContact ND2-O 3.02Å; N333-L451 PolarHBondContact OD1-N 2.9Å; N333-N453 PolarHBondContact ND2-ND2 3.03Å
334	G	97.4	Very high	97.5	Very high	20 Å²	20	26.6 Å²	26.6	21%	0.206	14%	0.143	C	C	.	.	H	α-helix	trans	-56.4	-31.6	-179.2	0	0	0	0	0	113.6	A332 T337 H338 E513	A332-G334 PolarHBondContact O-N 2.84Å; G334-T337 PolarHBondContact O-N 2.92Å; G334-H338 WeakPolarHBondContact O-CB 3.49Å; G334-H338 PolarHBondContact O-N 3.45Å; G334-E513 PolarHBondContact N-OE1 2.68Å; G334-E513 PolarHBondContact N-OE2 3.45Å
335	S	98.1	Very high	97.4	Very high	26 Å²	26	32.4 Å²	32.4	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-36.6	174.7	-69.8	0	0	0	0	112.9	N333 H338 Y339 S449 L451	N333-S335 PolarHBondContact O-N 3.19Å; N333-S335 VanDerWaalsContact O-N 3.14Å; N333-S335 VanDerWaalsContact OD1-CB 3.28Å; N333-S335 WeakPolarHBondContact OD1-CB 3.34Å; N333-S335 PolarHBondContact OD1-N 2.98Å; S335-H338 PolarHBondContact O-N 3.07Å; S335-Y339 WeakPolarHBondContact O-CB 3.48Å; S335-Y339 PolarHBondContact O-N 3.45Å; S335-S449 WeakPolarHBondContact CB-O 3.19Å; S335-S449 PolarHBondContact OG-O 3.39Å; S335-L451 PolarHBondContact OG-N 3.44Å
336	S	98.2	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-47.8	177.8	75.9	0	0	0	0	111	Q328 N333 H338 Y339 L340 Y448	Q328-S336 PolarHBondContact NE2-OG 3.44Å; N333-S336 WeakPolarHBondContact O-CB 3.38Å; N333-S336 PolarHBondContact O-N 3.49Å; N333-S336 PolarHBondContact O-OG 3.32Å; S336-H338 PolarHBondContact O-N 3.5Å; S336-Y339 PolarHBondContact O-N 3Å; S336-L340 WeakPolarHBondContact O-CB 3.21Å; S336-L340 VanDerWaalsContact O-CG 3.26Å; S336-L340 WeakPolarHBondContact O-CG 3.31Å; S336-L340 PolarHBondContact O-N 2.99Å; S336-Y448 VanDerWaalsContact CB-OH 3.27Å; S336-Y448 WeakPolarHBondContact CB-OH 3.49Å
337	T	98.1	Very high	97.2	Very high	38 Å²	38	36.6 Å²	36.6	23%	0.233	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-46	176	-57.5	0	0	0	0	110.5	Q328 N333 G334 Y339 L340 E341 V348	Q328-T337 PolarHBondContact OE1-OG1 3.4Å; N333-T337 PolarHBondContact O-N 3.46Å; G334-T337 PolarHBondContact O-N 2.92Å; T337-Y339 PolarHBondContact O-N 2.83Å; T337-L340 PolarHBondContact O-N 3.44Å; T337-E341 HydrophobicContact CG2-CG 4.39Å; T337-E341 WeakPolarHBondContact O-CG 3.43Å; T337-E341 PolarHBondContact O-N 3.14Å; T337-V348 HydrophobicContact CG2-CG1 4.16Å
338	H	98	Very high	97.2	Very high	113 Å²	113	38 Å²	38	52%	0.523	20%	0.198	S	C	.	.	H	α-helix	trans	-60.1	-44.6	177.7	-175	91	0	0	0	112.2	G334 S335 S336 N342	G334-H338 WeakPolarHBondContact O-CB 3.49Å; G334-H338 PolarHBondContact O-N 3.45Å; S335-H338 PolarHBondContact O-N 3.07Å; S336-H338 PolarHBondContact O-N 3.5Å; H338-N342 PolarHBondContact CE1-ND2 3.3Å; H338-N342 PolarHBondContact ND1-ND2 3.28Å; H338-N342 WeakPolarHBondContact O-CA 3.25Å; H338-N342 VanDerWaalsContact O-CB 3.22Å; H338-N342 WeakPolarHBondContact O-CB 3.37Å; H338-N342 PolarHBondContact O-N 2.88Å; H338-N342 PolarHBondContact O-ND2 3.43Å
339	Y	98.2	Very high	97.2	Very high	36 Å²	36	40.8 Å²	40.8	14%	0.141	21%	0.21	C	C	.	.	I	π-helix	trans	-60.5	-46.6	176.7	175.8	-94.8	0	0	0	111.4	T305 S335 S336 T337 T343 M344 I447 Y448	T305-Y339 HydrophobicContact CG2-CD1 4.24Å; S335-Y339 WeakPolarHBondContact O-CB 3.48Å; S335-Y339 PolarHBondContact O-N 3.45Å; S336-Y339 PolarHBondContact O-N 3Å; T337-Y339 PolarHBondContact O-N 2.83Å; Y339-T343 HydrophobicContact CD2-CG2 4.05Å; Y339-T343 HydrophobicContact CE2-CG2 3.65Å; Y339-T343 WeakPolarHBondContact O-CA 3.46Å; Y339-T343 VanDerWaalsContact O-CB 3.25Å; Y339-T343 WeakPolarHBondContact O-CB 3.12Å; Y339-T343 PolarHBondContact O-N 3.16Å; Y339-M344 HydrophobicContact CD1-CG 3.96Å; Y339-M344 HydrophobicContact CE1-CB 4.46Å; Y339-M344 HydrophobicContact CE1-CG 3.29Å; Y339-M344 HydrophobicContact CE1-SD 4.35Å; Y339-M344 PolarHBondContact O-N 2.77Å; Y339-I447 HydrophobicContact CD1-CG2 4.32Å; Y339-I447 HydrophobicContact CD2-CG2 4.37Å; Y339-I447 HydrophobicContact CE1-CG2 3.61Å; Y339-I447 HydrophobicContact CE2-CG2 3.68Å; Y339-I447 WeakPolarHBondContact CE2-O 3.19Å; Y339-I447 WeakPolarHBondContact OH-CG2 3.42Å; Y339-Y448 HydrophobicContact CD1-CD1 4.23Å; Y339-Y448 HydrophobicContact CG-CD1 4.09Å; Y339-Y448 HydrophobicContact CG-CG 4.4Å
340	L	98	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-61	-47.7	179.8	-71.8	168.4	0	0	0	112.3	T305 V326 S336 T337 M344 K345 V346 V348	T305-L340 HydrophobicContact CG2-CD1 4.06Å; T305-L340 HydrophobicContact CG2-CD2 3.79Å; T305-L340 HydrophobicContact CG2-CG 3.82Å; V326-L340 HydrophobicContact CB-CD1 3.98Å; V326-L340 HydrophobicContact CB-CD2 4.42Å; V326-L340 HydrophobicContact CG1-CD1 3.7Å; V326-L340 HydrophobicContact CG2-CD1 4.33Å; V326-L340 HydrophobicContact CG2-CD2 3.87Å; S336-L340 WeakPolarHBondContact O-CB 3.21Å; S336-L340 VanDerWaalsContact O-CG 3.26Å; S336-L340 WeakPolarHBondContact O-CG 3.31Å; S336-L340 PolarHBondContact O-N 2.99Å; T337-L340 PolarHBondContact O-N 3.44Å; L340-M344 CarbonylContact O-C 3.43Å; L340-M344 WeakPolarHBondContact O-CB 3.28Å; L340-K345 PolarHBondContact O-N 2.84Å; L340-V346 HydrophobicContact CB-CG2 3.97Å; L340-V346 HydrophobicContact CD2-CG2 3.84Å; L340-V346 WeakPolarHBondContact O-CG2 3.33Å; L340-V346 PolarHBondContact O-N 3.38Å; L340-V346 VanDerWaalsContact O-N 3.07Å; L340-V348 HydrophobicContact CB-CG2 3.47Å; L340-V348 VanDerWaalsContact CB-CG2 3.47Å; L340-V348 HydrophobicContact CD1-CG2 4.19Å; L340-V348 HydrophobicContact CG-CG2 4.46Å
341	E	97.4	Very high	97.2	Very high	89 Å²	89	43.1 Å²	43.1	42%	0.416	23%	0.226	S	C	.	.	I	π-helix	trans	-75.2	-43.8	-178.1	-67.3	-178.7	152.7	0	0	112.6	T337 K345 V348	T337-E341 HydrophobicContact CG2-CG 4.39Å; T337-E341 WeakPolarHBondContact O-CG 3.43Å; T337-E341 PolarHBondContact O-N 3.14Å; E341-K345 WeakPolarHBondContact O-CA 3.48Å; E341-K345 WeakPolarHBondContact O-CD 3.22Å; E341-V348 HydrophobicContact CG-CB 3.94Å; E341-V348 HydrophobicContact CG-CG2 3.59Å
342	N	96.8	Very high	97.1	Very high	71 Å²	71	46.8 Å²	46.8	38%	0.38	24%	0.242	S	C	.	.	I	π-helix	trans	-98.7	-32	-166.6	-64.4	-47.1	0	0	0	114.2	H338 K345	H338-N342 PolarHBondContact CE1-ND2 3.3Å; H338-N342 PolarHBondContact ND1-ND2 3.28Å; H338-N342 WeakPolarHBondContact O-CA 3.25Å; H338-N342 VanDerWaalsContact O-CB 3.22Å; H338-N342 WeakPolarHBondContact O-CB 3.37Å; H338-N342 PolarHBondContact O-N 2.88Å; H338-N342 PolarHBondContact O-ND2 3.43Å; N342-K345 WeakPolarHBondContact O-CD 3.36Å; N342-K345 WeakPolarHBondContact O-CE 3.37Å; N342-K345 PolarHBondContact O-NZ 2.82Å
343	T	95.8	Very high	96.7	Very high	90 Å²	90	47.9 Å²	47.9	55%	0.552	25%	0.249	S	C	*	.	I	π-helix	trans	-95.2	-56.8	176.9	-54.7	0	0	0	0	110.1	Y339 K345	Y339-T343 HydrophobicContact CD2-CG2 4.05Å; Y339-T343 HydrophobicContact CE2-CG2 3.65Å; Y339-T343 WeakPolarHBondContact O-CA 3.46Å; Y339-T343 VanDerWaalsContact O-CB 3.25Å; Y339-T343 WeakPolarHBondContact O-CB 3.12Å; Y339-T343 PolarHBondContact O-N 3.16Å; T343-K345 VanDerWaalsContact C-N 3.32Å; T343-K345 PolarHBondContact O-N 3.39Å
344	M	94.9	Very high	96.3	Very high	20 Å²	20	48.1 Å²	48.1	10%	0.099	25%	0.252	C	S	.	.	S	Bend	trans	-76.6	-17.5	-177.2	-79.4	-64.5	-64.7	0	0	113.2	T309 K312 Y339 L340 V346	T309-M344 VanDerWaalsContact CA-CE 3.49Å; T309-M344 HydrophobicContact CG2-CE 4.12Å; T309-M344 HydrophobicContact CG2-SD 4.01Å; K312-M344 HydrophobicContact CB-CE 3.93Å; K312-M344 HydrophobicContact CD-CE 3.57Å; K312-M344 HydrophobicContact CG-CE 4.32Å; K312-M344 PolarHBondContact NZ-O 3.31Å; Y339-M344 HydrophobicContact CD1-CG 3.96Å; Y339-M344 HydrophobicContact CE1-CB 4.46Å; Y339-M344 HydrophobicContact CE1-CG 3.29Å; Y339-M344 HydrophobicContact CE1-SD 4.35Å; Y339-M344 PolarHBondContact O-N 2.77Å; L340-M344 CarbonylContact O-C 3.43Å; L340-M344 WeakPolarHBondContact O-CB 3.28Å; M344-V346 HydrophobicContact CB-CG1 4.31Å; M344-V346 HydrophobicContact CB-CG2 4.27Å; M344-V346 HydrophobicContact CE-CG1 4.42Å; M344-V346 PolarHBondContact O-N 2.66Å
345	K	95.3	Very high	95.9	Very high	139 Å²	139	48.1 Å²	48.1	60%	0.604	25%	0.248	S	C	*	.			trans	49.6	41.9	-179.1	-53.6	-50.1	-162	-168.4	0	112.4	L340 E341 N342 T343	L340-K345 PolarHBondContact O-N 2.84Å; E341-K345 WeakPolarHBondContact O-CA 3.48Å; E341-K345 WeakPolarHBondContact O-CD 3.22Å; N342-K345 WeakPolarHBondContact O-CD 3.36Å; N342-K345 WeakPolarHBondContact O-CE 3.37Å; N342-K345 PolarHBondContact O-NZ 2.82Å; T343-K345 VanDerWaalsContact C-N 3.32Å; T343-K345 PolarHBondContact O-N 3.39Å
346	V	95.3	Very high	95.4	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.079	25%	0.247	C	C	.	.			trans	-101.1	161.2	173	-63	0	0	0	0	110.2	K312 I324 V326 L340 M344 V348	K312-V346 HydrophobicContact CD-CG1 3.9Å; I324-V346 HydrophobicContact CG2-CB 4.24Å; I324-V346 HydrophobicContact CG2-CG1 3.71Å; V326-V346 HydrophobicContact CG2-CG2 4.06Å; L340-V346 HydrophobicContact CB-CG2 3.97Å; L340-V346 HydrophobicContact CD2-CG2 3.84Å; L340-V346 WeakPolarHBondContact O-CG2 3.33Å; L340-V346 PolarHBondContact O-N 3.38Å; L340-V346 VanDerWaalsContact O-N 3.07Å; M344-V346 HydrophobicContact CB-CG1 4.31Å; M344-V346 HydrophobicContact CB-CG2 4.27Å; M344-V346 HydrophobicContact CE-CG1 4.42Å; M344-V346 PolarHBondContact O-N 2.66Å; V346-V348 PolarHBondContact O-N 3.09Å
347	I	97.8	Very high	95.2	Very high	75 Å²	75	52.8 Å²	52.8	39%	0.385	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.2	175.9	-59.1	170.6	0	0	0	108.1	A325 V326 F365	A325-I347 CarbonylContact C-O 3.52Å; A325-I347 VanDerWaalsContact CA-O 3.26Å; A325-I347 WeakPolarHBondContact CA-O 3.42Å; A325-I347 HydrophobicContact CB-CB 3.94Å; A325-I347 HydrophobicContact CB-CG2 4.11Å; V326-I347 PolarHBondContact N-O 3.12Å; I347-F365 HydrophobicContact CB-CE1 4.41Å; I347-F365 HydrophobicContact CD1-CD1 4.29Å; I347-F365 HydrophobicContact CD1-CE1 3.82Å; I347-F365 HydrophobicContact CG2-CE1 3.9Å; I347-F365 HydrophobicContact CG2-CZ 3.87Å
348	V	98.1	Very high	95.1	Very high	28 Å²	28	51 Å²	51	17%	0.17	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.1	172	-174	0	0	0	0	109.6	V326 T337 L340 E341 V346	V326-V348 VanDerWaalsContact O-CA 3.3Å; V326-V348 WeakPolarHBondContact O-CA 3.39Å; T337-V348 HydrophobicContact CG2-CG1 4.16Å; L340-V348 HydrophobicContact CB-CG2 3.47Å; L340-V348 VanDerWaalsContact CB-CG2 3.47Å; L340-V348 HydrophobicContact CD1-CG2 4.19Å; L340-V348 HydrophobicContact CG-CG2 4.46Å; E341-V348 HydrophobicContact CG-CB 3.94Å; E341-V348 HydrophobicContact CG-CG2 3.59Å; V346-V348 PolarHBondContact O-N 3.09Å
349	K	97.6	Very high	94.9	Very high	62 Å²	62	47.1 Å²	47.1	27%	0.27	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.4	173.7	-80.8	-168.1	176.8	155.8	0	110.3	V326 V327 Q328 E364 F365	V326-K349 PolarHBondContact O-N 3.3Å; V327-K349 CarbonylContact C-O 3.6Å; V327-K349 WeakPolarHBondContact CA-O 3.34Å; V327-K349 HydrophobicContact CG1-CB 4.49Å; V327-K349 HydrophobicContact CG2-CB 4.44Å; Q328-K349 PolarHBondContact N-O 3.47Å; K349-E364 IonicContact NZ-OE2 3.56Å; K349-E364 PolarHBondContact NZ-OE2 3.43Å; K349-F365 HydrophobicContact CD-CE2 3.74Å; K349-F365 HydrophobicContact CD-CZ 3.68Å; K349-F365 HydrophobicContact CG-CE2 4.44Å; K349-F365 HydrophobicContact CG-CZ 4.17Å
350	C	97.6	Very high	94.7	Very high	40 Å²	40	51.2 Å²	51.2	27%	0.27	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.9	171.9	-171	0	0	0	0	110.5	Q328 S471	Q328-C350 CarbonylContact O-C 3.6Å; Q328-C350 VanDerWaalsContact O-CA 3.31Å; Q328-C350 WeakPolarHBondContact O-CA 3.39Å; C350-S471 PolarHBondContact O-OG 3.09Å
351	T	96.9	Very high	94.6	Very high	17 Å²	17	51.5 Å²	51.5	10%	0.104	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	172	177.5	69.5	0	0	0	0	111.6	V327 Q328 A361 S471	V327-T351 HydrophobicContact CG1-CG2 3.62Å; Q328-T351 PolarHBondContact O-N 2.88Å; T351-A361 HydrophobicContact CG2-CB 3.53Å; T351-S471 WeakPolarHBondContact CA-OG 3.14Å
352	K	93.6	Very high	94.6	Very high	98 Å²	98	47.3 Å²	47.3	43%	0.426	24%	0.24	S	C	.	.			trans	-62.7	149.8	171.3	-60	-170.4	178.1	-175.7	0	110.3	H357 E472	K352-H357 HydrophobicContact CB-CB 4.43Å; K352-H357 WeakPolarHBondContact O-CB 3.44Å; K352-E472 HydrophobicContact CB-CG 4.1Å; K352-E472 HydrophobicContact CD-CG 4.41Å; K352-E472 HydrophobicContact CG-CG 4Å
353	T	90.8	Very high	94.6	Very high	27 Å²	27	49.5 Å²	49.5	17%	0.166	25%	0.248	C	C	.	.	S	Bend	trans	-54.3	138.3	173.1	-46.3	0	0	0	0	111.1	Y331 E372 E472 R500	Y331-T353 HydrophobicContact CE2-CG2 4.31Å; T353-E372 VanDerWaalsContact CG2-OE1 3.29Å; T353-E372 WeakPolarHBondContact CG2-OE1 3.4Å; T353-E472 WeakPolarHBondContact CB-OE2 3.35Å; T353-E472 PolarHBondContact N-OE2 3.3Å; T353-E472 PolarHBondContact OG1-OE2 3.47Å; T353-R500 PolarHBondContact OG1-NE 3.15Å
354	G	88.5	Confident	94.7	Very high	8 Å²	8	50.7 Å²	50.7	8%	0.082	25%	0.248	C	C	.	.	S	Bend	trans	114.3	126.1	177.9	0	0	0	0	0	112.6	K356 H357 L358 E372	G354-K356 PolarHBondContact O-N 3.21Å; G354-H357 PolarHBondContact O-N 3.26Å; G354-L358 WeakPolarHBondContact O-CD1 3.48Å; G354-E372 PolarHBondContact N-OE1 3.27Å
355	V	88.6	Confident	94.9	Very high	21 Å²	21	51 Å²	51	13%	0.127	25%	0.248	C	C	.	.	H	α-helix	trans	-50.5	-30.4	-172.6	-60.5	0	0	0	0	114.7	H357 L358 H359 H376	V355-H357 VanDerWaalsContact C-N 3.35Å; V355-H357 PolarHBondContact O-N 2.91Å; V355-L358 PolarHBondContact O-N 3.32Å; V355-H359 WeakPolarHBondContact O-CB 3.49Å; V355-H359 PolarHBondContact O-N 3.06Å; V355-H376 HydrophobicContact CG1-CB 4.35Å; V355-H376 WeakPolarHBondContact CG1-CD2 3.44Å; V355-H376 WeakPolarHBondContact CG1-NE2 3.34Å
356	K	88.8	Confident	95	Very high	37 Å²	37	46.3 Å²	46.3	16%	0.161	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-41.9	175.9	-63.4	-170.5	-178.9	-166	0	112.6	M83 L84 E89 G354 H360	M83-K356 HydrophobicContact CB-CD 4.42Å; M83-K356 VanDerWaalsContact CB-CE 3.49Å; M83-K356 HydrophobicContact CB-CG 4.25Å; L84-K356 PolarHBondContact O-NZ 3.42Å; E89-K356 VanDerWaalsContact CD-NZ 3.32Å; E89-K356 IonicContact OE1-NZ 3.63Å; E89-K356 PolarHBondContact OE1-NZ 3Å; E89-K356 IonicContact OE2-NZ 3.05Å; G354-K356 PolarHBondContact O-N 3.21Å; K356-H360 WeakPolarHBondContact O-CB 3.39Å; K356-H360 PolarHBondContact O-N 3.49Å; K356-H360 VanDerWaalsContact O-N 3.08Å
357	H	93	Very high	95.2	Very high	86 Å²	86	45.7 Å²	45.7	40%	0.398	23%	0.226	S	C	.	.	H	α-helix	trans	-71.9	-41.6	-179.9	-63.4	-56.7	0	0	0	111.4	K352 G354 V355 A361	K352-H357 HydrophobicContact CB-CB 4.43Å; K352-H357 WeakPolarHBondContact O-CB 3.44Å; G354-H357 PolarHBondContact O-N 3.26Å; V355-H357 VanDerWaalsContact C-N 3.35Å; V355-H357 PolarHBondContact O-N 2.91Å; H357-A361 WeakPolarHBondContact O-CB 3.37Å; H357-A361 PolarHBondContact O-N 3.16Å; H357-A361 VanDerWaalsContact O-N 3.16Å
358	L	95.5	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-49.1	176	-71.7	85.4	0	0	0	111.1	V327 T329 G354 V355 H360 A361 A362 Y370 E372	V327-L358 HydrophobicContact CG1-CB 4.3Å; V327-L358 HydrophobicContact CG1-CG 4.34Å; T329-L358 HydrophobicContact CG2-CD1 3.64Å; T329-L358 HydrophobicContact CG2-CD2 4.1Å; T329-L358 HydrophobicContact CG2-CG 4.15Å; G354-L358 WeakPolarHBondContact O-CD1 3.48Å; V355-L358 PolarHBondContact O-N 3.32Å; L358-H360 PolarHBondContact O-N 3.5Å; L358-A361 PolarHBondContact O-N 3.04Å; L358-A362 WeakPolarHBondContact O-CB 3.37Å; L358-A362 PolarHBondContact O-N 3.33Å; L358-Y370 HydrophobicContact CB-CD2 3.56Å; L358-Y370 HydrophobicContact CB-CE2 4.26Å; L358-Y370 HydrophobicContact CB-CG 3.93Å; L358-Y370 HydrophobicContact CD2-CD2 3.98Å; L358-Y370 HydrophobicContact CG-CD2 4.43Å; L358-E372 HydrophobicContact CD1-CG 4.06Å; L358-E372 HydrophobicContact CD2-CG 3.76Å
359	H	94.6	Very high	95.2	Very high	32 Å²	32	40.8 Å²	40.8	15%	0.148	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-49.3	-179.7	-172.9	98.2	0	0	0	111.5	V355 A361 A362 Q363 Y370 L380	V355-H359 WeakPolarHBondContact O-CB 3.49Å; V355-H359 PolarHBondContact O-N 3.06Å; H359-A361 VanDerWaalsContact C-N 3.34Å; H359-A361 PolarHBondContact O-N 2.92Å; H359-A362 WeakPolarHBondContact O-CB 3.13Å; H359-A362 PolarHBondContact O-N 2.84Å; H359-A362 VanDerWaalsContact O-N 3.15Å; H359-Q363 PolarHBondContact NE2-NE2 3.47Å; H359-Q363 WeakPolarHBondContact O-CG 3.4Å; H359-Q363 PolarHBondContact O-N 3.17Å; H359-Q363 VanDerWaalsContact O-N 3.08Å; H359-Y370 HydrophobicContact CB-CE1 4.21Å; H359-Y370 AromaticContact ND1-CE1 3.83Å; H359-Y370 AromaticContact ND1-CZ 3.78Å; H359-Y370 PolarHBondContact ND1-OH 3.45Å; H359-Y370 VanDerWaalsContact ND1-OH 3.08Å; H359-L380 VanDerWaalsContact CE1-CD1 3.49Å; H359-L380 WeakPolarHBondContact CE1-CD1 3.41Å
360	H	93.8	Very high	95.3	Very high	122 Å²	122	38 Å²	38	57%	0.565	19%	0.188	S	C	*	.	H	α-helix	trans	-58.7	-43.7	177.4	179.7	-75.3	0	0	0	112.3	K356 L358 A362 Q363 E364	K356-H360 WeakPolarHBondContact O-CB 3.39Å; K356-H360 PolarHBondContact O-N 3.49Å; K356-H360 VanDerWaalsContact O-N 3.08Å; L358-H360 PolarHBondContact O-N 3.5Å; H360-A362 VanDerWaalsContact C-N 3.32Å; H360-A362 PolarHBondContact O-N 3.31Å; H360-Q363 PolarHBondContact O-N 3.39Å; H360-E364 IonicContact ND1-OE1 2.78Å
361	A	96.8	Very high	95.3	Very high	7 Å²	7	36.1 Å²	36.1	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-69.3	-31.2	178.5	0	0	0	0	0	112.8	V327 T351 H357 L358 H359 E364 F365	V327-A361 HydrophobicContact CG1-CB 3.95Å; V327-A361 HydrophobicContact CG2-CB 4.32Å; T351-A361 HydrophobicContact CG2-CB 3.53Å; H357-A361 WeakPolarHBondContact O-CB 3.37Å; H357-A361 PolarHBondContact O-N 3.16Å; H357-A361 VanDerWaalsContact O-N 3.16Å; L358-A361 PolarHBondContact O-N 3.04Å; H359-A361 VanDerWaalsContact C-N 3.34Å; H359-A361 PolarHBondContact O-N 2.92Å; A361-E364 PolarHBondContact O-N 2.63Å; A361-F365 WeakPolarHBondContact O-CD2 3.27Å; A361-F365 WeakPolarHBondContact O-CE2 3.45Å
362	A	97.4	Very high	95.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.2	-32.4	176.7	0	0	0	0	0	112.3	V327 L358 H359 H360 E364 F365 Y370 L380	V327-A362 HydrophobicContact CG2-CB 4.06Å; L358-A362 WeakPolarHBondContact O-CB 3.37Å; L358-A362 PolarHBondContact O-N 3.33Å; H359-A362 WeakPolarHBondContact O-CB 3.13Å; H359-A362 PolarHBondContact O-N 2.84Å; H359-A362 VanDerWaalsContact O-N 3.15Å; H360-A362 VanDerWaalsContact C-N 3.32Å; H360-A362 PolarHBondContact O-N 3.31Å; A362-E364 PolarHBondContact O-N 3.13Å; A362-F365 PolarHBondContact O-N 3.35Å; A362-Y370 HydrophobicContact CB-CD1 3.64Å; A362-Y370 HydrophobicContact CB-CE1 4.38Å; A362-Y370 HydrophobicContact CB-CG 4.37Å; A362-L380 HydrophobicContact CB-CD1 3.92Å; A362-L380 HydrophobicContact CB-CG 4.45Å
363	Q	96.4	Very high	95.5	Very high	118 Å²	118	31.4 Å²	31.4	55%	0.551	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15	176.7	-71.6	176.5	-44.6	0	0	114.3	H359 H360 F365 L380	H359-Q363 PolarHBondContact NE2-NE2 3.47Å; H359-Q363 WeakPolarHBondContact O-CG 3.4Å; H359-Q363 PolarHBondContact O-N 3.17Å; H359-Q363 VanDerWaalsContact O-N 3.08Å; H360-Q363 PolarHBondContact O-N 3.39Å; Q363-F365 PolarHBondContact O-N 3.35Å; Q363-L380 HydrophobicContact CG-CD1 3.65Å
364	E	97.4	Very high	95.8	Very high	115 Å²	115	31.9 Å²	31.9	54%	0.537	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-2	179.2	-63.9	176.8	-159.2	0	0	113.8	K349 H360 A361 A362	K349-E364 IonicContact NZ-OE2 3.56Å; K349-E364 PolarHBondContact NZ-OE2 3.43Å; H360-E364 IonicContact ND1-OE1 2.78Å; A361-E364 PolarHBondContact O-N 2.63Å; A362-E364 PolarHBondContact O-N 3.13Å
365	F	98.2	Very high	96.2	Very high	25 Å²	25	31.5 Å²	31.5	11%	0.11	15%	0.151	C	C	.	.	S	Bend	trans	-124.2	163.3	-173.6	-58.5	-82.1	0	0	0	112.2	A325 I347 K349 A361 A362 Q363 I367	A325-F365 HydrophobicContact CB-CB 4.24Å; A325-F365 HydrophobicContact CB-CD1 3.6Å; A325-F365 HydrophobicContact CB-CD2 3.36Å; A325-F365 HydrophobicContact CB-CE1 3.57Å; A325-F365 HydrophobicContact CB-CE2 3.3Å; A325-F365 HydrophobicContact CB-CG 3.46Å; A325-F365 VanDerWaalsContact CB-CG 3.46Å; A325-F365 HydrophobicContact CB-CZ 3.37Å; I347-F365 HydrophobicContact CB-CE1 4.41Å; I347-F365 HydrophobicContact CD1-CD1 4.29Å; I347-F365 HydrophobicContact CD1-CE1 3.82Å; I347-F365 HydrophobicContact CG2-CE1 3.9Å; I347-F365 HydrophobicContact CG2-CZ 3.87Å; K349-F365 HydrophobicContact CD-CE2 3.74Å; K349-F365 HydrophobicContact CD-CZ 3.68Å; K349-F365 HydrophobicContact CG-CE2 4.44Å; K349-F365 HydrophobicContact CG-CZ 4.17Å; A361-F365 WeakPolarHBondContact O-CD2 3.27Å; A361-F365 WeakPolarHBondContact O-CE2 3.45Å; A362-F365 PolarHBondContact O-N 3.35Å; Q363-F365 PolarHBondContact O-N 3.35Å; F365-I367 VanDerWaalsContact C-N 3.25Å; F365-I367 PolarHBondContact O-N 2.84Å
366	D	98.4	Very high	96.7	Very high	42 Å²	42	30.9 Å²	30.9	23%	0.225	15%	0.147	C	C	.	.	S	Bend	trans	-62.9	-40.1	174.2	-65.6	-53.1	0	0	0	110.4	L322 K323 S382 A385	L322-D366 HydrophobicContact CB-CB 3.98Å; L322-D366 HydrophobicContact CD2-CB 4.12Å; K323-D366 WeakPolarHBondContact CB-OD2 3.23Å; K323-D366 PolarHBondContact N-OD2 2.98Å; K323-D366 PolarHBondContact O-N 2.92Å; D366-S382 PolarHBondContact O-N 2.91Å; D366-S382 PolarHBondContact O-OG 3.07Å; D366-A385 HydrophobicContact CB-CB 4.18Å; D366-A385 VanDerWaalsContact O-CB 3.27Å; D366-A385 WeakPolarHBondContact O-CB 3.38Å
367	I	98.8	Very high	97.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	113.2	176.1	-57.8	172.8	0	0	0	108.7	L311 L315 L322 K323 I324 A325 F365 V379 L380 F381 A385	L311-I367 HydrophobicContact CD1-CG2 4.04Å; L315-I367 HydrophobicContact CD1-CD1 3.68Å; L315-I367 HydrophobicContact CD2-CD1 4.05Å; L315-I367 HydrophobicContact CG-CD1 4.37Å; L322-I367 HydrophobicContact CB-CD1 4.34Å; L322-I367 HydrophobicContact CD1-CD1 4.16Å; K323-I367 PolarHBondContact O-N 3.07Å; K323-I367 VanDerWaalsContact O-N 3.14Å; I324-I367 WeakPolarHBondContact CA-O 3.37Å; I324-I367 HydrophobicContact CD1-CG2 4.46Å; I324-I367 HydrophobicContact CG1-CB 4.39Å; I324-I367 HydrophobicContact CG1-CG2 4.26Å; A325-I367 PolarHBondContact N-O 3.39Å; F365-I367 VanDerWaalsContact C-N 3.25Å; F365-I367 PolarHBondContact O-N 2.84Å; I367-V379 HydrophobicContact CG2-CG1 3.69Å; I367-L380 CarbonylContact C-O 3.56Å; I367-L380 WeakPolarHBondContact CA-O 3.34Å; I367-F381 HydrophobicContact CD1-CD1 4.09Å; I367-F381 HydrophobicContact CD1-CE1 3.94Å; I367-F381 HydrophobicContact CG1-CD1 3.72Å; I367-F381 HydrophobicContact CG1-CE1 3.94Å; I367-F381 HydrophobicContact CG2-CD1 4.31Å; I367-F381 HydrophobicContact CG2-CE1 3.99Å; I367-F381 HydrophobicContact CG2-CZ 4.39Å; I367-A385 HydrophobicContact CG1-CB 4.45Å
368	G	98.7	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	105.2	178.5	0	0	0	0	0	111.2	V379 L380	G368-V379 CarbonylContact O-C 3.58Å; G368-V379 WeakPolarHBondContact O-CA 3.44Å; G368-L380 PolarHBondContact N-O 2.75Å; G368-L380 PolarHBondContact O-N 3.44Å
369	V	98.8	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.8	172.3	-179.4	0	0	0	0	107.8	A304 L311 I324 A325 V326 V327 F371 V379	A304-V369 HydrophobicContact CB-CG1 4.1Å; L311-V369 HydrophobicContact CD1-CG2 3.95Å; I324-V369 HydrophobicContact CD1-CG2 4.33Å; A325-V369 PolarHBondContact O-N 2.93Å; V326-V369 CarbonylContact C-O 3.56Å; V326-V369 VanDerWaalsContact CA-O 3.28Å; V326-V369 WeakPolarHBondContact CA-O 3.3Å; V326-V369 HydrophobicContact CG2-CB 4.33Å; V327-V369 PolarHBondContact N-O 3.42Å; V369-F371 HydrophobicContact CG1-CD2 4.14Å; V369-F371 HydrophobicContact CG1-CE2 4.21Å; V369-V379 HydrophobicContact CB-CG2 4.41Å; V369-V379 HydrophobicContact CG1-CG2 4.25Å; V369-V379 HydrophobicContact CG2-CB 4.49Å; V369-V379 HydrophobicContact CG2-CG1 3.82Å; V369-V379 HydrophobicContact CG2-CG2 3.98Å
370	Y	98.6	Very high	97.7	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.1	176.3	74.2	-94.9	0	0	0	111.7	V327 L358 H359 A362 G377 T378 L380	V327-Y370 WeakPolarHBondContact O-CA 3.22Å; L358-Y370 HydrophobicContact CB-CD2 3.56Å; L358-Y370 HydrophobicContact CB-CE2 4.26Å; L358-Y370 HydrophobicContact CB-CG 3.93Å; L358-Y370 HydrophobicContact CD2-CD2 3.98Å; L358-Y370 HydrophobicContact CG-CD2 4.43Å; H359-Y370 HydrophobicContact CB-CE1 4.21Å; H359-Y370 AromaticContact ND1-CE1 3.83Å; H359-Y370 AromaticContact ND1-CZ 3.78Å; H359-Y370 PolarHBondContact ND1-OH 3.45Å; H359-Y370 VanDerWaalsContact ND1-OH 3.08Å; A362-Y370 HydrophobicContact CB-CD1 3.64Å; A362-Y370 HydrophobicContact CB-CE1 4.38Å; A362-Y370 HydrophobicContact CB-CG 4.37Å; Y370-G377 CarbonylContact O-C 3.22Å; Y370-G377 WeakPolarHBondContact O-CA 3.19Å; Y370-T378 HydrophobicContact CD1-CG2 4.47Å; Y370-T378 HydrophobicContact CE1-CG2 3.55Å; Y370-T378 HydrophobicContact CE2-CG2 4.32Å; Y370-T378 VanDerWaalsContact CZ-CG2 3.46Å; Y370-T378 PolarHBondContact N-O 3.16Å; Y370-T378 PolarHBondContact O-N 3.36Å; Y370-T378 VanDerWaalsContact O-O 3.11Å; Y370-T378 VanDerWaalsContact OH-CG2 3.27Å; Y370-T378 WeakPolarHBondContact OH-CG2 3.3Å; Y370-L380 HydrophobicContact CD1-CG 4.39Å; Y370-L380 HydrophobicContact CE1-CD1 4.02Å; Y370-L380 HydrophobicContact CE1-CD2 4.21Å; Y370-L380 HydrophobicContact CE1-CG 3.88Å
371	F	98.6	Very high	98	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.5	172.1	-74.6	-100.5	0	0	0	109.2	G300 I303 A304 I307 V369 H376 G377	G300-F371 VanDerWaalsContact O-CB 3.28Å; G300-F371 WeakPolarHBondContact O-CB 3.49Å; I303-F371 HydrophobicContact CB-CD1 4.36Å; I303-F371 HydrophobicContact CB-CE1 4.37Å; I303-F371 HydrophobicContact CG2-CD1 4.01Å; I303-F371 HydrophobicContact CG2-CD2 4.5Å; I303-F371 HydrophobicContact CG2-CE1 3.56Å; I303-F371 HydrophobicContact CG2-CE2 4.11Å; I303-F371 HydrophobicContact CG2-CG 4.48Å; I303-F371 HydrophobicContact CG2-CZ 3.63Å; A304-F371 HydrophobicContact CB-CB 4.09Å; A304-F371 HydrophobicContact CB-CD2 3.81Å; A304-F371 HydrophobicContact CB-CG 4.23Å; I307-F371 HydrophobicContact CD1-CE2 3.93Å; I307-F371 HydrophobicContact CD1-CZ 3.87Å; V369-F371 HydrophobicContact CG1-CD2 4.14Å; V369-F371 HydrophobicContact CG1-CE2 4.21Å; F371-H376 CarbonylContact C-O 3.5Å; F371-H376 WeakPolarHBondContact CA-O 3.45Å; F371-G377 VanDerWaalsContact CD1-CA 3.42Å; F371-G377 VanDerWaalsContact CE1-C 3.48Å
372	E	97.8	Very high	98	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.056	10%	0.103	C	C	.	.			trans	-86.3	148.9	160.1	-63.9	-168.6	129.3	0	0	109.2	G300 T329 T353 G354 L358 N374 G375 H376	G300-E372 WeakPolarHBondContact CA-O 3.42Å; T329-E372 HydrophobicContact CG2-CG 3.94Å; T353-E372 VanDerWaalsContact CG2-OE1 3.29Å; T353-E372 WeakPolarHBondContact CG2-OE1 3.4Å; G354-E372 PolarHBondContact N-OE1 3.27Å; L358-E372 HydrophobicContact CD1-CG 4.06Å; L358-E372 HydrophobicContact CD2-CG 3.76Å; E372-N374 WeakPolarHBondContact CB-OD1 3.49Å; E372-N374 PolarHBondContact O-N 3.37Å; E372-N374 PolarHBondContact OE2-ND2 3Å; E372-G375 PolarHBondContact O-N 3.35Å; E372-H376 PolarHBondContact N-O 3.31Å
373	A	97.1	Very high	98	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.033	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-14.7	176.3	0	0	0	0	0	114	K256 D299 D301 G375	K256-A373 WeakPolarHBondContact CD-O 3.38Å; K256-A373 WeakPolarHBondContact CE-O 3.39Å; D299-A373 WeakPolarHBondContact CB-O 3.22Å; D301-A373 WeakPolarHBondContact OD2-CB 3.44Å; A373-G375 PolarHBondContact O-N 2.97Å
374	N	95.6	Very high	98.1	Very high	36 Å²	36	22 Å²	22	19%	0.193	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.6	174.1	65.8	28.9	0	0	0	114.2	E372 H376	E372-N374 WeakPolarHBondContact CB-OD1 3.49Å; E372-N374 PolarHBondContact O-N 3.37Å; E372-N374 PolarHBondContact OE2-ND2 3Å; N374-H376 WeakPolarHBondContact OD1-CB 3.36Å; N374-H376 PolarHBondContact OD1-N 3.23Å
375	G	98	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	94.5	0.1	179	0	0	0	0	0	115.6	R283 I284 E372 A373	R283-G375 WeakPolarHBondContact CA-O 3.06Å; I284-G375 PolarHBondContact N-O 3.06Å; I284-G375 VanDerWaalsContact N-O 3.09Å; I284-G375 WeakPolarHBondContact O-CA 3.45Å; E372-G375 PolarHBondContact O-N 3.35Å; A373-G375 PolarHBondContact O-N 2.97Å
376	H	98.2	Very high	98.1	Very high	8 Å²	8	18 Å²	18	4%	0.037	10%	0.104	C	C	.	.			trans	-84.8	121.2	173.4	-162.2	119.4	0	0	0	110	D282 R283 V355 F371 E372 N374 G421	D282-H376 VanDerWaalsContact CG-CE1 3.47Å; D282-H376 PolarHBondContact O-ND1 3.32Å; D282-H376 IonicContact OD1-CE1 3.09Å; D282-H376 IonicContact OD1-ND1 3.04Å; D282-H376 PolarHBondContact OD1-ND1 3.05Å; D282-H376 IonicContact OD2-CE1 3.56Å; D282-H376 IonicContact OD2-ND1 2.7Å; R283-H376 HydrophobicContact CG-CB 3.99Å; V355-H376 HydrophobicContact CG1-CB 4.35Å; V355-H376 WeakPolarHBondContact CG1-CD2 3.44Å; V355-H376 WeakPolarHBondContact CG1-NE2 3.34Å; F371-H376 CarbonylContact C-O 3.5Å; F371-H376 WeakPolarHBondContact CA-O 3.45Å; E372-H376 PolarHBondContact N-O 3.31Å; N374-H376 WeakPolarHBondContact OD1-CB 3.36Å; N374-H376 PolarHBondContact OD1-N 3.23Å; H376-G421 PolarHBondContact NE2-N 3.2Å
377	G	98.3	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	173.7	175.9	0	0	0	0	0	113.4	Y370 F371 G421	Y370-G377 CarbonylContact O-C 3.22Å; Y370-G377 WeakPolarHBondContact O-CA 3.19Å; F371-G377 VanDerWaalsContact CD1-CA 3.42Å; F371-G377 VanDerWaalsContact CE1-C 3.48Å; G377-G421 WeakPolarHBondContact O-CA 3.4Å
378	T	98.7	Very high	98	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	-171.9	173.5	-173.4	0	0	0	0	109.3	Y370 L380 I416 N417	Y370-T378 HydrophobicContact CD1-CG2 4.47Å; Y370-T378 HydrophobicContact CE1-CG2 3.55Å; Y370-T378 HydrophobicContact CE2-CG2 4.32Å; Y370-T378 VanDerWaalsContact CZ-CG2 3.46Å; Y370-T378 PolarHBondContact N-O 3.16Å; Y370-T378 PolarHBondContact O-N 3.36Å; Y370-T378 VanDerWaalsContact O-O 3.11Å; Y370-T378 VanDerWaalsContact OH-CG2 3.27Å; Y370-T378 WeakPolarHBondContact OH-CG2 3.3Å; T378-L380 HydrophobicContact CG2-CD2 4.29Å; T378-I416 VanDerWaalsContact OG1-CG2 3.29Å; T378-I416 WeakPolarHBondContact OG1-CG2 3.41Å; T378-N417 WeakPolarHBondContact CB-O 3.26Å; T378-N417 PolarHBondContact OG1-O 2.6Å
379	V	98.8	Very high	97.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.4	172.4	-169	0	0	0	0	109.5	I307 L311 I367 G368 V369 F381 I416	I307-V379 HydrophobicContact CG2-CG2 3.65Å; L311-V379 HydrophobicContact CD1-CG1 3.99Å; L311-V379 HydrophobicContact CD1-CG2 4.4Å; I367-V379 HydrophobicContact CG2-CG1 3.69Å; G368-V379 CarbonylContact O-C 3.58Å; G368-V379 WeakPolarHBondContact O-CA 3.44Å; V369-V379 HydrophobicContact CB-CG2 4.41Å; V369-V379 HydrophobicContact CG1-CG2 4.25Å; V369-V379 HydrophobicContact CG2-CB 4.49Å; V369-V379 HydrophobicContact CG2-CG1 3.82Å; V369-V379 HydrophobicContact CG2-CG2 3.98Å; V379-F381 HydrophobicContact CB-CE2 4.02Å; V379-F381 HydrophobicContact CG1-CD2 4.33Å; V379-F381 HydrophobicContact CG1-CE2 3.69Å; V379-F381 HydrophobicContact CG1-CZ 3.85Å; V379-I416 HydrophobicContact CB-CD1 3.9Å; V379-I416 HydrophobicContact CB-CG2 4.12Å; V379-I416 HydrophobicContact CG2-CD1 3.87Å; V379-I416 VanDerWaalsContact O-CG2 3.31Å; V379-I416 WeakPolarHBondContact O-CG2 3.45Å
380	L	98.4	Very high	97.8	Very high	14 Å²	14	29.7 Å²	29.7	7%	0.073	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.4	172.4	-52.5	-179.6	0	0	0	110	H359 A362 Q363 I367 G368 Y370 T378 Q418	H359-L380 VanDerWaalsContact CE1-CD1 3.49Å; H359-L380 WeakPolarHBondContact CE1-CD1 3.41Å; A362-L380 HydrophobicContact CB-CD1 3.92Å; A362-L380 HydrophobicContact CB-CG 4.45Å; Q363-L380 HydrophobicContact CG-CD1 3.65Å; I367-L380 CarbonylContact C-O 3.56Å; I367-L380 WeakPolarHBondContact CA-O 3.34Å; G368-L380 PolarHBondContact N-O 2.75Å; G368-L380 PolarHBondContact O-N 3.44Å; Y370-L380 HydrophobicContact CD1-CG 4.39Å; Y370-L380 HydrophobicContact CE1-CD1 4.02Å; Y370-L380 HydrophobicContact CE1-CD2 4.21Å; Y370-L380 HydrophobicContact CE1-CG 3.88Å; T378-L380 HydrophobicContact CG2-CD2 4.29Å; L380-Q418 HydrophobicContact CD2-CB 4.19Å; L380-Q418 WeakPolarHBondContact CD2-O 3.43Å
381	F	98.6	Very high	97.6	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.057	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.3	172.6	-61.8	-99.1	0	0	0	108.1	L311 I367 V379 E386 I389 I413 I416	L311-F381 HydrophobicContact CD1-CZ 4.44Å; L311-F381 HydrophobicContact CD2-CE1 4.38Å; L311-F381 HydrophobicContact CD2-CZ 4.13Å; I367-F381 HydrophobicContact CD1-CD1 4.09Å; I367-F381 HydrophobicContact CD1-CE1 3.94Å; I367-F381 HydrophobicContact CG1-CD1 3.72Å; I367-F381 HydrophobicContact CG1-CE1 3.94Å; I367-F381 HydrophobicContact CG2-CD1 4.31Å; I367-F381 HydrophobicContact CG2-CE1 3.99Å; I367-F381 HydrophobicContact CG2-CZ 4.39Å; V379-F381 HydrophobicContact CB-CE2 4.02Å; V379-F381 HydrophobicContact CG1-CD2 4.33Å; V379-F381 HydrophobicContact CG1-CE2 3.69Å; V379-F381 HydrophobicContact CG1-CZ 3.85Å; F381-E386 HydrophobicContact CB-CG 3.66Å; F381-I389 HydrophobicContact CD1-CD1 4.42Å; F381-I413 HydrophobicContact CD1-CD1 4.02Å; F381-I413 HydrophobicContact CD1-CG1 3.76Å; F381-I413 HydrophobicContact CD2-CG1 3.89Å; F381-I413 HydrophobicContact CE1-CD1 4.27Å; F381-I413 HydrophobicContact CE1-CG1 3.71Å; F381-I413 HydrophobicContact CE2-CG1 3.84Å; F381-I413 HydrophobicContact CG-CD1 4.31Å; F381-I413 HydrophobicContact CG-CG1 3.87Å; F381-I413 HydrophobicContact CZ-CG1 3.76Å; F381-I416 HydrophobicContact CE2-CD1 3.9Å; F381-I416 HydrophobicContact CZ-CD1 4.18Å
382	S	98.3	Very high	97.4	Very high	37 Å²	37	36.5 Å²	36.5	26%	0.259	19%	0.188	S	C	.	.			trans	-66.7	152.6	170.6	69.6	0	0	0	0	110.4	D366 G384 A385 E386	D366-S382 PolarHBondContact O-N 2.91Å; D366-S382 PolarHBondContact O-OG 3.07Å; S382-G384 PolarHBondContact O-N 2.94Å; S382-G384 VanDerWaalsContact O-N 3.14Å; S382-A385 WeakPolarHBondContact O-CA 3.45Å; S382-A385 WeakPolarHBondContact O-CB 3.29Å; S382-A385 PolarHBondContact O-N 3.41Å; S382-A385 WeakPolarHBondContact OG-CB 3.43Å; S382-A385 PolarHBondContact OG-N 2.99Å; S382-A385 VanDerWaalsContact OG-N 3.15Å; S382-E386 PolarHBondContact O-N 2.91Å
383	D	96.8	Very high	97.2	Very high	119 Å²	119	36.4 Å²	36.4	64%	0.636	19%	0.189	S	C	*	.	H	α-helix	trans	-50.9	-41.7	175.5	-69.6	-29.6	0	0	0	111.6	A385 E386 E387	D383-A385 PolarHBondContact O-N 3.18Å; D383-E386 PolarHBondContact O-N 3.34Å; D383-E387 WeakPolarHBondContact O-CB 3.43Å; D383-E387 VanDerWaalsContact O-CG 3.3Å; D383-E387 WeakPolarHBondContact O-CG 3.3Å; D383-E387 PolarHBondContact O-N 3.41Å
384	G	98	Very high	96.9	Very high	31 Å²	31	41.2 Å²	41.2	32%	0.32	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-31.5	178.4	0	0	0	0	0	114	S382 K388	S382-G384 PolarHBondContact O-N 2.94Å; S382-G384 VanDerWaalsContact O-N 3.14Å; G384-K388 WeakPolarHBondContact O-CB 3.19Å; G384-K388 WeakPolarHBondContact O-CD 3.37Å; G384-K388 VanDerWaalsContact O-CG 3.24Å; G384-K388 WeakPolarHBondContact O-CG 3.35Å; G384-K388 PolarHBondContact O-N 3.38Å
385	A	98.3	Very high	96.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-46.8	173.3	0	0	0	0	0	111	L322 D366 I367 S382 D383 E387 K388 I389	L322-A385 HydrophobicContact CD1-CB 3.93Å; L322-A385 HydrophobicContact CD2-CB 4.39Å; D366-A385 HydrophobicContact CB-CB 4.18Å; D366-A385 VanDerWaalsContact O-CB 3.27Å; D366-A385 WeakPolarHBondContact O-CB 3.38Å; I367-A385 HydrophobicContact CG1-CB 4.45Å; S382-A385 WeakPolarHBondContact O-CA 3.45Å; S382-A385 WeakPolarHBondContact O-CB 3.29Å; S382-A385 PolarHBondContact O-N 3.41Å; S382-A385 WeakPolarHBondContact OG-CB 3.43Å; S382-A385 PolarHBondContact OG-N 2.99Å; S382-A385 VanDerWaalsContact OG-N 3.15Å; D383-A385 PolarHBondContact O-N 3.18Å; A385-E387 PolarHBondContact O-N 3.05Å; A385-K388 PolarHBondContact O-N 3.25Å; A385-I389 WeakPolarHBondContact O-CG1 3.04Å; A385-I389 PolarHBondContact O-N 3.39Å
386	E	97.6	Very high	96.1	Very high	58 Å²	58	47.4 Å²	47.4	27%	0.271	25%	0.252	S	S	.	.	H	α-helix	trans	-58.8	-47.1	176.7	-66.1	-164.9	170.5	0	0	111.5	F381 S382 D383 K388 I389 Q390 I413 Q418	F381-E386 HydrophobicContact CB-CG 3.66Å; S382-E386 PolarHBondContact O-N 2.91Å; D383-E386 PolarHBondContact O-N 3.34Å; E386-K388 PolarHBondContact O-N 3.08Å; E386-I389 PolarHBondContact O-N 2.87Å; E386-Q390 WeakPolarHBondContact O-CB 3.4Å; E386-Q390 PolarHBondContact O-N 2.87Å; E386-I413 HydrophobicContact CG-CD1 4.35Å; E386-I413 HydrophobicContact CG-CG2 4.48Å; E386-Q418 PolarHBondContact OE1-NE2 2.63Å
387	E	97.5	Very high	95.6	Very high	120 Å²	120	54 Å²	54	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-59.6	-45.6	178.7	-76.8	178.9	-178.5	0	0	112.1	D383 A385 Q390 Q391	D383-E387 WeakPolarHBondContact O-CB 3.43Å; D383-E387 VanDerWaalsContact O-CG 3.3Å; D383-E387 WeakPolarHBondContact O-CG 3.3Å; D383-E387 PolarHBondContact O-N 3.41Å; A385-E387 PolarHBondContact O-N 3.05Å; E387-Q390 PolarHBondContact O-N 2.81Å; E387-Q391 WeakPolarHBondContact O-CB 3.41Å; E387-Q391 WeakPolarHBondContact O-CG 3.4Å; E387-Q391 PolarHBondContact O-N 3.36Å
388	K	97.4	Very high	95.1	Very high	97 Å²	97	55.4 Å²	55.4	42%	0.422	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-44.7	178.3	-76.3	169.5	179.8	175.7	0	112.2	L322 G384 A385 E386 Q390 Q391 L392	L322-K388 HydrophobicContact CD2-CD 3.79Å; G384-K388 WeakPolarHBondContact O-CB 3.19Å; G384-K388 WeakPolarHBondContact O-CD 3.37Å; G384-K388 VanDerWaalsContact O-CG 3.24Å; G384-K388 WeakPolarHBondContact O-CG 3.35Å; G384-K388 PolarHBondContact O-N 3.38Å; A385-K388 PolarHBondContact O-N 3.25Å; E386-K388 PolarHBondContact O-N 3.08Å; K388-Q390 VanDerWaalsContact C-N 3.34Å; K388-Q391 PolarHBondContact O-N 3.4Å; K388-L392 WeakPolarHBondContact O-CB 3.45Å; K388-L392 PolarHBondContact O-N 2.91Å
389	I	97.4	Very high	94.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-44.6	177.8	-70.3	165.1	0	0	0	109.9	L320 L322 F381 A385 E386 L392 A393 L409 Q410 I413	L320-I389 HydrophobicContact CD1-CG1 3.73Å; L322-I389 HydrophobicContact CD1-CD1 4.14Å; L322-I389 HydrophobicContact CD1-CG1 4.29Å; F381-I389 HydrophobicContact CD1-CD1 4.42Å; A385-I389 WeakPolarHBondContact O-CG1 3.04Å; A385-I389 PolarHBondContact O-N 3.39Å; E386-I389 PolarHBondContact O-N 2.87Å; I389-L392 PolarHBondContact O-N 3.36Å; I389-A393 WeakPolarHBondContact O-CB 2.93Å; I389-A393 PolarHBondContact O-N 2.6Å; I389-L409 HydrophobicContact CD1-CB 4.36Å; I389-L409 HydrophobicContact CG1-CB 4.49Å; I389-L409 HydrophobicContact CG1-CD1 4.38Å; I389-L409 HydrophobicContact CG2-CB 3.68Å; I389-Q410 HydrophobicContact CG2-CB 4.28Å; I389-I413 HydrophobicContact CB-CD1 4.29Å; I389-I413 HydrophobicContact CD1-CD1 3.8Å; I389-I413 HydrophobicContact CG2-CD1 4.01Å
390	Q	95.3	Very high	94.2	Very high	70 Å²	70	66.2 Å²	66.2	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-41.9	179.9	-176.2	58.3	76.8	0	0	112.7	E386 E387 K388 N394	E386-Q390 WeakPolarHBondContact O-CB 3.4Å; E386-Q390 PolarHBondContact O-N 2.87Å; E387-Q390 PolarHBondContact O-N 2.81Å; K388-Q390 VanDerWaalsContact C-N 3.34Å; Q390-N394 PolarHBondContact NE2-ND2 3.26Å; Q390-N394 PolarHBondContact NE2-OD1 3.44Å; Q390-N394 PolarHBondContact O-N 3.41Å; Q390-N394 PolarHBondContact O-ND2 2.8Å
391	Q	95.1	Very high	93.8	Very high	129 Å²	129	72.9 Å²	72.9	60%	0.603	38%	0.383	S	S	*	.	H	α-helix	trans	-62.2	-45.8	175.6	-75.7	170.8	10.8	0	0	110.9	E387 K388 N394 D395	E387-Q391 WeakPolarHBondContact O-CB 3.41Å; E387-Q391 WeakPolarHBondContact O-CG 3.4Å; E387-Q391 PolarHBondContact O-N 3.36Å; K388-Q391 PolarHBondContact O-N 3.4Å; Q391-N394 PolarHBondContact O-N 3.08Å; Q391-D395 PolarHBondContact O-N 3.02Å; Q391-D395 VanDerWaalsContact O-N 3.11Å
392	L	95.2	Very high	93.6	Very high	17 Å²	17	76.3 Å²	76.3	9%	0.089	40%	0.395	C	S	.	.	H	α-helix	trans	-65.9	-41.2	179.8	-172	68.2	0	0	0	112.2	A318 L320 K388 I389 N394 D395 I398 A406	A318-L392 HydrophobicContact CB-CD2 3.82Å; A318-L392 WeakPolarHBondContact O-CD2 3.37Å; L320-L392 HydrophobicContact CD1-CD2 3.93Å; L320-L392 HydrophobicContact CD2-CD2 4Å; L320-L392 HydrophobicContact CG-CD2 3.84Å; K388-L392 WeakPolarHBondContact O-CB 3.45Å; K388-L392 PolarHBondContact O-N 2.91Å; I389-L392 PolarHBondContact O-N 3.36Å; L392-N394 PolarHBondContact O-N 2.91Å; L392-D395 PolarHBondContact O-N 2.95Å; L392-D395 VanDerWaalsContact O-N 3.15Å; L392-I398 HydrophobicContact CD1-CD1 3.67Å; L392-I398 HydrophobicContact CD1-CG2 4.09Å; L392-I398 HydrophobicContact CG-CD1 3.96Å; L392-I398 VanDerWaalsContact O-CD1 3.28Å; L392-I398 WeakPolarHBondContact O-CD1 3.23Å; L392-A406 HydrophobicContact CB-CB 4.08Å; L392-A406 HydrophobicContact CD2-CB 3.79Å; L392-A406 HydrophobicContact CG-CB 3.78Å
393	A	92.1	Very high	93.3	Very high	11 Å²	11	78 Å²	78	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-61.7	-30.5	177.2	0	0	0	0	0	112.7	I389 A406 Q410	I389-A393 WeakPolarHBondContact O-CB 2.93Å; I389-A393 PolarHBondContact O-N 2.6Å; A393-A406 HydrophobicContact CB-CB 4.09Å; A393-Q410 HydrophobicContact CB-CB 4.45Å
394	N	91.6	Very high	93.2	Very high	105 Å²	105	77.6 Å²	77.6	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-89.6	-8.7	178.7	-68.6	-21.9	0	0	0	113.8	Q390 Q391 L392 T396	Q390-N394 PolarHBondContact NE2-ND2 3.26Å; Q390-N394 PolarHBondContact NE2-OD1 3.44Å; Q390-N394 PolarHBondContact O-N 3.41Å; Q390-N394 PolarHBondContact O-ND2 2.8Å; Q391-N394 PolarHBondContact O-N 3.08Å; L392-N394 PolarHBondContact O-N 2.91Å; N394-T396 PolarHBondContact O-N 2.61Å
395	D	90.6	Very high	93.2	Very high	55 Å²	55	76.1 Å²	76.1	29%	0.294	38%	0.375	S	S	.	.			trans	-68.8	130	-179.6	-163.5	-16.7	0	0	0	110.6	Q391 L392 N397 I398 K403	Q391-D395 PolarHBondContact O-N 3.02Å; Q391-D395 VanDerWaalsContact O-N 3.11Å; L392-D395 PolarHBondContact O-N 2.95Å; L392-D395 VanDerWaalsContact O-N 3.15Å; D395-N397 WeakPolarHBondContact OD1-CB 3.33Å; D395-N397 PolarHBondContact OD1-N 3.08Å; D395-I398 HydrophobicContact CB-CD1 4.22Å; D395-I398 HydrophobicContact CB-CG1 4.16Å; D395-I398 HydrophobicContact CB-CG2 4.22Å; D395-K403 PolarHBondContact O-NZ 3.22Å; D395-K403 VanDerWaalsContact O-NZ 3.11Å
396	T	86.4	Confident	93.1	Very high	111 Å²	111	76.1 Å²	76.1	68%	0.681	38%	0.375	S	S	*	.	S	Bend	trans	-93.3	-8.5	178	57.3	0	0	0	0	112.8	N394	N394-T396 PolarHBondContact O-N 2.61Å
397	N	87.6	Confident	93.1	Very high	145 Å²	145	76.7 Å²	76.7	78%	0.775	38%	0.377	S	S	*	.	S	Bend	trans	-105	4.6	-172.4	-56.8	-52.8	0	0	0	114	D395	D395-N397 WeakPolarHBondContact OD1-CB 3.33Å; D395-N397 PolarHBondContact OD1-N 3.08Å
398	I	88.5	Confident	93.1	Very high	30 Å²	30	71.3 Å²	71.3	15%	0.154	35%	0.352	C	S	.	.	S	Bend	trans	-96	160.5	176.3	59.3	171.3	0	0	0	111.3	L392 D395 R402 K403	L392-I398 HydrophobicContact CD1-CD1 3.67Å; L392-I398 HydrophobicContact CD1-CG2 4.09Å; L392-I398 HydrophobicContact CG-CD1 3.96Å; L392-I398 VanDerWaalsContact O-CD1 3.28Å; L392-I398 WeakPolarHBondContact O-CD1 3.23Å; D395-I398 HydrophobicContact CB-CD1 4.22Å; D395-I398 HydrophobicContact CB-CG1 4.16Å; D395-I398 HydrophobicContact CB-CG2 4.22Å; I398-R402 HydrophobicContact CD1-CB 4.29Å; I398-K403 HydrophobicContact CD1-CB 3.77Å; I398-K403 HydrophobicContact CD1-CG 4.27Å; I398-K403 HydrophobicContact CG1-CB 4.04Å
399	N	89.3	Confident	93.1	Very high	89 Å²	89	66.7 Å²	66.7	48%	0.476	33%	0.332	S	S	.	.			trans	-68.5	161.8	176.2	70.7	28.7	0	0	0	112.3	E401 R402 K403	N399-E401 VanDerWaalsContact C-N 3.3Å; N399-E401 PolarHBondContact O-N 2.84Å; N399-E401 PolarHBondContact OD1-N 3.13Å; N399-R402 PolarHBondContact O-N 3.4Å; N399-R402 VanDerWaalsContact OD1-CB 3.29Å; N399-R402 WeakPolarHBondContact OD1-CB 3.05Å; N399-R402 VanDerWaalsContact OD1-CG 3.23Å; N399-R402 WeakPolarHBondContact OD1-CG 3.17Å; N399-R402 PolarHBondContact OD1-N 3.18Å; N399-K403 WeakPolarHBondContact O-CB 3.37Å; N399-K403 PolarHBondContact O-N 2.9Å; N399-K403 VanDerWaalsContact O-N 3.09Å
400	D	87.6	Confident	93.2	Very high	139 Å²	139	68.4 Å²	68.4	74%	0.743	34%	0.34	S	S	*	.	H	α-helix	trans	-63.6	-33.6	-174.2	-68.2	-25.7	0	0	0	113.1	K404	D400-K404 VanDerWaalsContact O-CB 3.27Å; D400-K404 WeakPolarHBondContact O-CB 3.38Å; D400-K404 PolarHBondContact O-N 2.96Å
401	E	91	Very high	93.3	Very high	154 Å²	154	65.7 Å²	65.7	72%	0.72	33%	0.328	S	S	*	.	H	α-helix	trans	-67.4	-50.8	179.9	-67.7	-180	166.7	0	0	111.9	N399 K403 K404 A405	N399-E401 VanDerWaalsContact C-N 3.3Å; N399-E401 PolarHBondContact O-N 2.84Å; N399-E401 PolarHBondContact OD1-N 3.13Å; E401-K403 VanDerWaalsContact C-N 3.28Å; E401-K403 PolarHBondContact O-N 2.86Å; E401-K404 WeakPolarHBondContact O-CB 3.48Å; E401-K404 PolarHBondContact O-N 3.43Å; E401-A405 PolarHBondContact O-N 3.47Å
402	R	94.6	Very high	93.5	Very high	85 Å²	85	59.6 Å²	59.6	32%	0.321	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-40.6	176.6	-70.4	-174.3	74.3	-175.6	3.8	111.2	E317 A318 I398 N399 A405 A406	E317-R402 WeakPolarHBondContact O-CG 3.4Å; A318-R402 VanDerWaalsContact O-CZ 3.25Å; A318-R402 PolarHBondContact O-NE 3.18Å; A318-R402 PolarHBondContact O-NH2 3.23Å; I398-R402 HydrophobicContact CD1-CB 4.29Å; N399-R402 PolarHBondContact O-N 3.4Å; N399-R402 VanDerWaalsContact OD1-CB 3.29Å; N399-R402 WeakPolarHBondContact OD1-CB 3.05Å; N399-R402 VanDerWaalsContact OD1-CG 3.23Å; N399-R402 WeakPolarHBondContact OD1-CG 3.17Å; N399-R402 PolarHBondContact OD1-N 3.18Å; R402-A405 PolarHBondContact O-N 3.35Å; R402-A406 WeakPolarHBondContact O-CB 3.48Å; R402-A406 PolarHBondContact O-N 3.06Å
403	K	92.3	Very high	93.6	Very high	72 Å²	72	59.4 Å²	59.4	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-42.5	177.6	-169.9	167.1	-175.3	153.5	0	111.7	D395 I398 N399 E401 A406 F407	D395-K403 PolarHBondContact O-NZ 3.22Å; D395-K403 VanDerWaalsContact O-NZ 3.11Å; I398-K403 HydrophobicContact CD1-CB 3.77Å; I398-K403 HydrophobicContact CD1-CG 4.27Å; I398-K403 HydrophobicContact CG1-CB 4.04Å; N399-K403 WeakPolarHBondContact O-CB 3.37Å; N399-K403 PolarHBondContact O-N 2.9Å; N399-K403 VanDerWaalsContact O-N 3.09Å; E401-K403 VanDerWaalsContact C-N 3.28Å; E401-K403 PolarHBondContact O-N 2.86Å; K403-A406 PolarHBondContact O-N 3.4Å; K403-F407 WeakPolarHBondContact O-CB 3.33Å; K403-F407 PolarHBondContact O-N 2.84Å
404	K	94.3	Very high	93.9	Very high	111 Å²	111	62 Å²	62	48%	0.483	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-46.5	175	-174.7	-177.9	179	-172.7	0	111.2	N198 D400 E401 A406 F407 L408	N198-K404 WeakPolarHBondContact OD1-CE 3.38Å; D400-K404 VanDerWaalsContact O-CB 3.27Å; D400-K404 WeakPolarHBondContact O-CB 3.38Å; D400-K404 PolarHBondContact O-N 2.96Å; E401-K404 WeakPolarHBondContact O-CB 3.48Å; E401-K404 PolarHBondContact O-N 3.43Å; K404-A406 PolarHBondContact O-N 3.14Å; K404-F407 WeakPolarHBondContact O-CB 3.08Å; K404-F407 PolarHBondContact O-N 2.82Å; K404-L408 HydrophobicContact CG-CD1 4.44Å; K404-L408 WeakPolarHBondContact O-CG 3.44Å; K404-L408 PolarHBondContact O-N 2.97Å
405	A	97.3	Very high	94.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-44.4	177.8	0	0	0	0	0	112.1	L314 E317 A318 E401 R402 F407 L408 L409	L314-A405 HydrophobicContact CD2-CB 4.29Å; E317-A405 HydrophobicContact CB-CB 3.67Å; A318-A405 HydrophobicContact CB-CB 3.99Å; E401-A405 PolarHBondContact O-N 3.47Å; R402-A405 PolarHBondContact O-N 3.35Å; A405-F407 PolarHBondContact O-N 3.19Å; A405-L408 PolarHBondContact O-N 3.24Å; A405-L409 WeakPolarHBondContact O-CG 3.38Å; A405-L409 PolarHBondContact O-N 3.33Å
406	A	97.1	Very high	94.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-40.8	175	0	0	0	0	0	112.6	L392 A393 R402 K403 K404 L409 Q410	L392-A406 HydrophobicContact CB-CB 4.08Å; L392-A406 HydrophobicContact CD2-CB 3.79Å; L392-A406 HydrophobicContact CG-CB 3.78Å; A393-A406 HydrophobicContact CB-CB 4.09Å; R402-A406 WeakPolarHBondContact O-CB 3.48Å; R402-A406 PolarHBondContact O-N 3.06Å; K403-A406 PolarHBondContact O-N 3.4Å; K404-A406 PolarHBondContact O-N 3.14Å; A406-L409 PolarHBondContact O-N 3.11Å; A406-Q410 WeakPolarHBondContact O-CB 3.12Å; A406-Q410 PolarHBondContact O-N 3.28Å
407	F	96.4	Very high	95.1	Very high	70 Å²	70	49.3 Å²	49.3	31%	0.307	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-41.7	174.6	177	-97.7	0	0	0	112.2	Q194 K403 K404 A405 Q410 N411	Q194-F407 HydrophobicContact CB-CE1 4.25Å; Q194-F407 HydrophobicContact CB-CZ 4Å; Q194-F407 HydrophobicContact CG-CZ 4.26Å; K403-F407 WeakPolarHBondContact O-CB 3.33Å; K403-F407 PolarHBondContact O-N 2.84Å; K404-F407 WeakPolarHBondContact O-CB 3.08Å; K404-F407 PolarHBondContact O-N 2.82Å; A405-F407 PolarHBondContact O-N 3.19Å; F407-Q410 PolarHBondContact O-N 3.32Å; F407-N411 WeakPolarHBondContact CE1-ND2 3.38Å; F407-N411 VanDerWaalsContact CE2-ND2 3.31Å; F407-N411 WeakPolarHBondContact CE2-ND2 3.46Å; F407-N411 WeakPolarHBondContact CZ-ND2 3.48Å; F407-N411 PolarHBondContact O-N 3.09Å; F407-N411 PolarHBondContact O-ND2 2.76Å
408	L	98.1	Very high	95.6	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-42.6	175.2	-68.4	177	0	0	0	111.4	L195 N198 L314 K404 A405 Q410 N411 T412 I436	L195-L408 HydrophobicContact CD2-CB 4.43Å; L195-L408 HydrophobicContact CD2-CD2 3.75Å; N198-L408 HydrophobicContact CB-CD2 3.96Å; L314-L408 HydrophobicContact CD1-CB 3.76Å; L314-L408 HydrophobicContact CD2-CB 3.99Å; L314-L408 HydrophobicContact CD2-CD1 3.77Å; K404-L408 HydrophobicContact CG-CD1 4.44Å; K404-L408 WeakPolarHBondContact O-CG 3.44Å; K404-L408 PolarHBondContact O-N 2.97Å; A405-L408 PolarHBondContact O-N 3.24Å; L408-Q410 PolarHBondContact O-N 3.43Å; L408-N411 PolarHBondContact O-N 3.49Å; L408-T412 WeakPolarHBondContact O-CB 3.48Å; L408-T412 PolarHBondContact O-N 3.35Å; L408-T412 PolarHBondContact O-OG1 2.81Å; L408-I436 HydrophobicContact CD2-CD1 4.11Å
409	L	98.5	Very high	95.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-46.2	173.4	-75.1	166.8	0	0	0	111.6	L311 L314 L315 A318 L320 I389 A405 A406 N411 T412 I413	L311-L409 HydrophobicContact CD2-CD2 3.91Å; L314-L409 HydrophobicContact CB-CD1 4.16Å; L314-L409 HydrophobicContact CB-CD2 3.72Å; L314-L409 HydrophobicContact CB-CG 3.73Å; L314-L409 HydrophobicContact CD1-CD2 4.01Å; L314-L409 HydrophobicContact CD1-CG 4.04Å; L315-L409 HydrophobicContact CD2-CD1 3.96Å; L315-L409 HydrophobicContact CD2-CD2 4.37Å; L315-L409 HydrophobicContact CG-CD1 4.47Å; L315-L409 HydrophobicContact CG-CD2 4.4Å; A318-L409 HydrophobicContact CB-CD1 4.08Å; L320-L409 HydrophobicContact CD1-CD1 4.11Å; I389-L409 HydrophobicContact CD1-CB 4.36Å; I389-L409 HydrophobicContact CG1-CB 4.49Å; I389-L409 HydrophobicContact CG1-CD1 4.38Å; I389-L409 HydrophobicContact CG2-CB 3.68Å; A405-L409 WeakPolarHBondContact O-CG 3.38Å; A405-L409 PolarHBondContact O-N 3.33Å; A406-L409 PolarHBondContact O-N 3.11Å; L409-N411 PolarHBondContact O-N 2.89Å; L409-T412 CarbonylContact O-C 3.58Å; L409-T412 WeakPolarHBondContact O-CA 3.49Å; L409-T412 WeakPolarHBondContact O-CB 3.36Å; L409-T412 PolarHBondContact O-N 3.29Å; L409-T412 VanDerWaalsContact O-N 3.12Å; L409-I413 WeakPolarHBondContact O-CG1 3.37Å; L409-I413 PolarHBondContact O-N 3.01Å
410	Q	97.8	Very high	96.3	Very high	37 Å²	37	38.8 Å²	38.8	17%	0.173	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-44.8	178.9	-169.5	-161.8	23.2	0	0	112.1	I389 A393 A406 F407 L408 T412 I413 N414	I389-Q410 HydrophobicContact CG2-CB 4.28Å; A393-Q410 HydrophobicContact CB-CB 4.45Å; A406-Q410 WeakPolarHBondContact O-CB 3.12Å; A406-Q410 PolarHBondContact O-N 3.28Å; F407-Q410 PolarHBondContact O-N 3.32Å; L408-Q410 PolarHBondContact O-N 3.43Å; Q410-T412 VanDerWaalsContact C-N 3.3Å; Q410-I413 PolarHBondContact O-N 3.36Å; Q410-N414 PolarHBondContact O-N 3.18Å; Q410-N414 VanDerWaalsContact O-N 3.16Å; Q410-N414 PolarHBondContact O-ND2 3.34Å
411	N	98.2	Very high	96.7	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-71.3	-28.5	176.6	-72.8	-81.7	0	0	0	112.1	Q194 L195 F407 L408 L409 N414 I415	Q194-N411 HydrophobicContact CB-CB 4.44Å; Q194-N411 VanDerWaalsContact CB-OD1 3.27Å; Q194-N411 WeakPolarHBondContact CB-OD1 3.26Å; Q194-N411 WeakPolarHBondContact CG-OD1 3.43Å; L195-N411 HydrophobicContact CD1-CB 4.48Å; L195-N411 HydrophobicContact CD2-CB 3.74Å; L195-N411 HydrophobicContact CG-CB 3.83Å; F407-N411 WeakPolarHBondContact CE1-ND2 3.38Å; F407-N411 VanDerWaalsContact CE2-ND2 3.31Å; F407-N411 WeakPolarHBondContact CE2-ND2 3.46Å; F407-N411 WeakPolarHBondContact CZ-ND2 3.48Å; F407-N411 PolarHBondContact O-N 3.09Å; F407-N411 PolarHBondContact O-ND2 2.76Å; L408-N411 PolarHBondContact O-N 3.49Å; L409-N411 PolarHBondContact O-N 2.89Å; N411-N414 PolarHBondContact O-N 3.05Å; N411-I415 PolarHBondContact O-N 3.39Å
412	T	98.6	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-40.1	171.7	-57.3	0	0	0	0	111.2	L311 L408 L409 Q410 N414 I415 I416 L429	L311-T412 HydrophobicContact CD2-CG2 3.76Å; L408-T412 WeakPolarHBondContact O-CB 3.48Å; L408-T412 PolarHBondContact O-N 3.35Å; L408-T412 PolarHBondContact O-OG1 2.81Å; L409-T412 CarbonylContact O-C 3.58Å; L409-T412 WeakPolarHBondContact O-CA 3.49Å; L409-T412 WeakPolarHBondContact O-CB 3.36Å; L409-T412 PolarHBondContact O-N 3.29Å; L409-T412 VanDerWaalsContact O-N 3.12Å; Q410-T412 VanDerWaalsContact C-N 3.3Å; T412-N414 VanDerWaalsContact C-N 3.32Å; T412-N414 PolarHBondContact O-N 2.89Å; T412-I415 VanDerWaalsContact O-CG2 3.31Å; T412-I415 WeakPolarHBondContact O-CG2 3.31Å; T412-I416 HydrophobicContact CG2-CD1 3.61Å; T412-I416 WeakPolarHBondContact O-CB 3.48Å; T412-I416 WeakPolarHBondContact O-CD1 3.32Å; T412-I416 WeakPolarHBondContact O-CG1 3.38Å; T412-I416 PolarHBondContact O-N 3.23Å; T412-L429 HydrophobicContact CG2-CD1 3.89Å
413	I	98.3	Very high	97.3	Very high	14 Å²	14	20.8 Å²	20.8	7%	0.072	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-42.2	172.1	-67	164.5	0	0	0	110.9	F381 E386 I389 L409 Q410 I416	F381-I413 HydrophobicContact CD1-CD1 4.02Å; F381-I413 HydrophobicContact CD1-CG1 3.76Å; F381-I413 HydrophobicContact CD2-CG1 3.89Å; F381-I413 HydrophobicContact CE1-CD1 4.27Å; F381-I413 HydrophobicContact CE1-CG1 3.71Å; F381-I413 HydrophobicContact CE2-CG1 3.84Å; F381-I413 HydrophobicContact CG-CD1 4.31Å; F381-I413 HydrophobicContact CG-CG1 3.87Å; F381-I413 HydrophobicContact CZ-CG1 3.76Å; E386-I413 HydrophobicContact CG-CD1 4.35Å; E386-I413 HydrophobicContact CG-CG2 4.48Å; I389-I413 HydrophobicContact CB-CD1 4.29Å; I389-I413 HydrophobicContact CD1-CD1 3.8Å; I389-I413 HydrophobicContact CG2-CD1 4.01Å; L409-I413 WeakPolarHBondContact O-CG1 3.37Å; L409-I413 PolarHBondContact O-N 3.01Å; Q410-I413 PolarHBondContact O-N 3.36Å; I413-I416 PolarHBondContact O-N 3.39Å
414	N	97.8	Very high	97.6	Very high	65 Å²	65	17.4 Å²	17.4	35%	0.348	8%	0.083	S	C	.	.	H	α-helix	trans	-73.8	-27.2	-175.9	-74.8	-39.7	0	0	0	114.5	K187 A191 Q410 N411 T412	K187-N414 VanDerWaalsContact CE-O 3.31Å; K187-N414 WeakPolarHBondContact CE-O 3.37Å; A191-N414 HydrophobicContact CB-CB 3.87Å; Q410-N414 PolarHBondContact O-N 3.18Å; Q410-N414 VanDerWaalsContact O-N 3.16Å; Q410-N414 PolarHBondContact O-ND2 3.34Å; N411-N414 PolarHBondContact O-N 3.05Å; T412-N414 VanDerWaalsContact C-N 3.32Å; T412-N414 PolarHBondContact O-N 2.89Å
415	I	97.9	Very high	97.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-82.7	-24.9	175.7	-160.5	173.4	0	0	0	112.1	L188 A191 F192 L195 N411 T412 S425 L428 L429	L188-I415 WeakPolarHBondContact CD2-O 3.23Å; A191-I415 HydrophobicContact CB-CB 3.77Å; A191-I415 HydrophobicContact CB-CG1 4.39Å; F192-I415 HydrophobicContact CB-CD1 3.73Å; F192-I415 HydrophobicContact CD2-CD1 4.11Å; F192-I415 HydrophobicContact CG-CD1 4.43Å; L195-I415 HydrophobicContact CD1-CB 4.49Å; L195-I415 HydrophobicContact CD1-CD1 4.06Å; L195-I415 HydrophobicContact CD1-CG2 3.99Å; N411-I415 PolarHBondContact O-N 3.39Å; T412-I415 VanDerWaalsContact O-CG2 3.31Å; T412-I415 WeakPolarHBondContact O-CG2 3.31Å; I415-S425 PolarHBondContact O-OG 2.86Å; I415-L428 HydrophobicContact CD1-CB 3.68Å; I415-L428 HydrophobicContact CG1-CB 4.19Å; I415-L429 HydrophobicContact CG2-CB 4.21Å; I415-L429 HydrophobicContact CG2-CD1 3.91Å
416	I	98.3	Very high	97.9	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.06	C	C	.	.	S	Bend	trans	-78.2	130.9	-179.8	-71.4	166.1	0	0	0	110	T378 V379 F381 T412 I413 Q418 S425 L429	T378-I416 VanDerWaalsContact OG1-CG2 3.29Å; T378-I416 WeakPolarHBondContact OG1-CG2 3.41Å; V379-I416 HydrophobicContact CB-CD1 3.9Å; V379-I416 HydrophobicContact CB-CG2 4.12Å; V379-I416 HydrophobicContact CG2-CD1 3.87Å; V379-I416 VanDerWaalsContact O-CG2 3.31Å; V379-I416 WeakPolarHBondContact O-CG2 3.45Å; F381-I416 HydrophobicContact CE2-CD1 3.9Å; F381-I416 HydrophobicContact CZ-CD1 4.18Å; T412-I416 HydrophobicContact CG2-CD1 3.61Å; T412-I416 WeakPolarHBondContact O-CB 3.48Å; T412-I416 WeakPolarHBondContact O-CD1 3.32Å; T412-I416 WeakPolarHBondContact O-CG1 3.38Å; T412-I416 PolarHBondContact O-N 3.23Å; I413-I416 PolarHBondContact O-N 3.39Å; I416-Q418 HydrophobicContact CG2-CG 4.12Å; I416-Q418 PolarHBondContact O-N 3.34Å; I416-S425 WeakPolarHBondContact CA-OG 3.26Å; I416-L429 HydrophobicContact CD1-CD2 3.72Å; I416-L429 HydrophobicContact CG1-CD2 3.6Å
417	N	98.1	Very high	98	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.016	6%	0.06	C	C	.	.			trans	-83.1	99.7	168.8	-167.8	-11.4	0	0	0	110.4	Y176 T378 T419 V420 D422 S425	Y176-N417 PolarHBondContact OH-OD1 3.03Å; T378-N417 WeakPolarHBondContact CB-O 3.26Å; T378-N417 PolarHBondContact OG1-O 2.6Å; N417-T419 PolarHBondContact O-N 3.27Å; N417-T419 WeakPolarHBondContact OD1-CB 3.41Å; N417-T419 PolarHBondContact OD1-N 2.96Å; N417-T419 VanDerWaalsContact OD1-N 3.11Å; N417-T419 PolarHBondContact OD1-OG1 2.68Å; N417-V420 VanDerWaalsContact O-O 3.07Å; N417-D422 HydrophobicContact CB-CB 3.56Å; N417-D422 WeakPolarHBondContact CB-OD2 3.39Å; N417-D422 PolarHBondContact ND2-OD2 2.73Å; N417-S425 PolarHBondContact N-OG 3.48Å
418	Q	97.4	Very high	98.1	Very high	29 Å²	29	8.8 Å²	8.8	14%	0.136	5%	0.045	C	C	.	.	S	Bend	trans	-75.6	-4.8	-179.5	-58.8	-166	65.4	0	0	114	Y176 L380 E386 I416	Y176-Q418 PolarHBondContact OH-N 3.47Å; L380-Q418 HydrophobicContact CD2-CB 4.19Å; L380-Q418 WeakPolarHBondContact CD2-O 3.43Å; E386-Q418 PolarHBondContact OE1-NE2 2.63Å; I416-Q418 HydrophobicContact CG2-CG 4.12Å; I416-Q418 PolarHBondContact O-N 3.34Å
419	T	95.1	Very high	98.1	Very high	9 Å²	9	8.5 Å²	8.5	6%	0.055	4%	0.044	C	C	.	.	S	Bend	trans	-83.3	-39	-176.7	65.9	0	0	0	0	112.8	H164 C168 Y176 N417	H164-T419 WeakPolarHBondContact CB-OG1 3.32Å; C168-T419 HydrophobicContact CB-CG2 3.57Å; Y176-T419 HydrophobicContact CD1-CG2 4.49Å; Y176-T419 HydrophobicContact CE1-CG2 3.72Å; N417-T419 PolarHBondContact O-N 3.27Å; N417-T419 WeakPolarHBondContact OD1-CB 3.41Å; N417-T419 PolarHBondContact OD1-N 2.96Å; N417-T419 VanDerWaalsContact OD1-N 3.11Å; N417-T419 PolarHBondContact OD1-OG1 2.68Å
420	V	96.8	Very high	98.2	Very high	6 Å²	6	8.5 Å²	8.5	4%	0.036	4%	0.044	C	C	.	.	S	Bend	trans	-163.1	162.2	-178	67	0	0	0	0	108.6	P161 H164 N417 D422	P161-V420 HydrophobicContact CB-CG1 4.11Å; P161-V420 HydrophobicContact CG-CG1 4.41Å; H164-V420 HydrophobicContact CB-CB 4.31Å; H164-V420 HydrophobicContact CB-CG1 3.58Å; H164-V420 VanDerWaalsContact CG-CG1 3.49Å; N417-V420 VanDerWaalsContact O-O 3.07Å; V420-D422 PolarHBondContact O-N 3.16Å
421	G	97.8	Very high	98.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.			trans	-59.7	135.5	171.7	0	0	0	0	0	111.8	P161 H376 G377	P161-G421 WeakPolarHBondContact CG-O 3.42Å; H376-G421 PolarHBondContact NE2-N 3.2Å; G377-G421 WeakPolarHBondContact O-CA 3.4Å
422	D	98.8	Very high	98.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.			trans	-140.5	103	-166.6	-178.2	-22	0	0	0	110.5	P161 Y184 N417 V420 I424 S425 D426	P161-D422 HydrophobicContact CB-CB 3.58Å; P161-D422 VanDerWaalsContact CB-OD2 3.22Å; P161-D422 WeakPolarHBondContact CB-OD2 3.36Å; P161-D422 HydrophobicContact CG-CB 3.8Å; Y184-D422 WeakPolarHBondContact CE2-OD2 3.34Å; Y184-D422 PolarHBondContact OH-OD1 2.91Å; Y184-D422 PolarHBondContact OH-OD2 2.84Å; N417-D422 HydrophobicContact CB-CB 3.56Å; N417-D422 WeakPolarHBondContact CB-OD2 3.39Å; N417-D422 PolarHBondContact ND2-OD2 2.73Å; V420-D422 PolarHBondContact O-N 3.16Å; D422-I424 PolarHBondContact O-N 3.02Å; D422-I424 VanDerWaalsContact O-N 3.16Å; D422-I424 PolarHBondContact OD1-N 3.19Å; D422-S425 VanDerWaalsContact CG-CB 3.41Å; D422-S425 WeakPolarHBondContact O-CB 3.41Å; D422-S425 PolarHBondContact O-N 2.83Å; D422-S425 PolarHBondContact OD1-N 3.45Å; D422-D426 WeakPolarHBondContact O-CB 3.42Å; D422-D426 VanDerWaalsContact O-CG 3.22Å; D422-D426 PolarHBondContact O-N 3.24Å
423	A	98.9	Very high	98.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.4	-32.8	-174.2	0	0	0	0	0	113.1	F277 A281 R283 I284 M427	F277-A423 HydrophobicContact CD1-CB 3.54Å; F277-A423 HydrophobicContact CE1-CB 3.83Å; F277-A423 WeakPolarHBondContact CE1-O 3.27Å; F277-A423 HydrophobicContact CG-CB 4.16Å; A281-A423 HydrophobicContact CB-CB 4.23Å; A281-A423 VanDerWaalsContact O-CB 3.22Å; A281-A423 WeakPolarHBondContact O-CB 3.39Å; A281-A423 PolarHBondContact O-N 2.74Å; R283-A423 VanDerWaalsContact O-CB 3.25Å; R283-A423 WeakPolarHBondContact O-CB 3.26Å; I284-A423 HydrophobicContact CB-CB 3.97Å; A423-M427 VanDerWaalsContact O-CB 3.23Å; A423-M427 WeakPolarHBondContact O-CB 3.49Å; A423-M427 PolarHBondContact O-N 2.95Å
424	I	98.8	Very high	98.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-77.8	-43.7	-179.7	-64.7	173.9	0	0	0	109.9	T159 K221 V222 M225 F277 D422 M427 L428	T159-I424 HydrophobicContact CG2-CD1 4.22Å; K221-I424 HydrophobicContact CB-CD1 4.26Å; V222-I424 HydrophobicContact CB-CD1 4.48Å; M225-I424 HydrophobicContact CE-CG2 3.92Å; M225-I424 HydrophobicContact SD-CG2 3.66Å; F277-I424 HydrophobicContact CE2-CG1 3.94Å; F277-I424 HydrophobicContact CZ-CG1 3.91Å; D422-I424 PolarHBondContact O-N 3.02Å; D422-I424 VanDerWaalsContact O-N 3.16Å; D422-I424 PolarHBondContact OD1-N 3.19Å; I424-M427 PolarHBondContact O-N 3.43Å; I424-L428 HydrophobicContact CG2-CD1 4.37Å; I424-L428 VanDerWaalsContact O-CG 3.28Å; I424-L428 WeakPolarHBondContact O-CG 3.44Å; I424-L428 PolarHBondContact O-N 3.21Å; I424-L428 VanDerWaalsContact O-N 3.1Å
425	S	98.9	Very high	98	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-57.8	-48.6	172.9	170.2	0	0	0	0	111.4	I415 I416 N417 D422 L428 L429	I415-S425 PolarHBondContact O-OG 2.86Å; I416-S425 WeakPolarHBondContact CA-OG 3.26Å; N417-S425 PolarHBondContact N-OG 3.48Å; D422-S425 VanDerWaalsContact CG-CB 3.41Å; D422-S425 WeakPolarHBondContact O-CB 3.41Å; D422-S425 PolarHBondContact O-N 2.83Å; D422-S425 PolarHBondContact OD1-N 3.45Å; S425-L428 PolarHBondContact O-N 2.85Å; S425-L429 PolarHBondContact O-N 2.92Å
426	D	98.9	Very high	97.8	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-62.7	-45.2	179	-69.6	-27.5	0	0	0	111.5	I284 D422 L428 L429 I430	I284-D426 HydrophobicContact CG2-CB 3.7Å; D422-D426 WeakPolarHBondContact O-CB 3.42Å; D422-D426 VanDerWaalsContact O-CG 3.22Å; D422-D426 PolarHBondContact O-N 3.24Å; D426-L428 VanDerWaalsContact C-N 3.32Å; D426-L428 PolarHBondContact O-N 3.27Å; D426-L429 PolarHBondContact O-N 2.93Å; D426-I430 HydrophobicContact CB-CD1 4.49Å; D426-I430 WeakPolarHBondContact O-CB 3.13Å; D426-I430 WeakPolarHBondContact O-CD1 3.38Å; D426-I430 WeakPolarHBondContact O-CG1 3.28Å; D426-I430 PolarHBondContact O-N 3Å
427	M	98.8	Very high	97.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-53.6	-49.1	174.2	-179.1	-166.9	69.7	0	0	111.5	L209 V211 V222 M233 F277 I284 A423 I424 I430 E431	L209-M427 HydrophobicContact CD2-CG 3.58Å; L209-M427 HydrophobicContact CD2-SD 3.66Å; V211-M427 HydrophobicContact CG2-SD 4.1Å; V222-M427 HydrophobicContact CG2-CE 3.88Å; V222-M427 HydrophobicContact CG2-SD 4.47Å; M233-M427 HydrophobicContact CE-CE 4.39Å; M233-M427 HydrophobicContact CE-CG 4.38Å; M233-M427 HydrophobicContact CE-SD 4.33Å; F277-M427 HydrophobicContact CE1-CB 4.31Å; F277-M427 HydrophobicContact CE1-SD 4.33Å; F277-M427 HydrophobicContact CZ-CB 4.47Å; F277-M427 HydrophobicContact CZ-SD 3.81Å; I284-M427 HydrophobicContact CD1-CB 3.65Å; I284-M427 HydrophobicContact CD1-CG 4.35Å; A423-M427 VanDerWaalsContact O-CB 3.23Å; A423-M427 WeakPolarHBondContact O-CB 3.49Å; A423-M427 PolarHBondContact O-N 2.95Å; I424-M427 PolarHBondContact O-N 3.43Å; M427-I430 PolarHBondContact O-N 3.45Å; M427-E431 WeakPolarHBondContact O-CB 3.43Å; M427-E431 WeakPolarHBondContact O-CG 3.41Å; M427-E431 PolarHBondContact O-N 2.92Å
428	L	98.7	Very high	97.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.1	-38.9	-178.6	-64.4	172	0	0	0	111.5	L188 F192 M225 L229 M233 I415 I424 S425 D426 A432	L188-L428 HydrophobicContact CB-CD1 3.97Å; F192-L428 HydrophobicContact CB-CB 4.4Å; F192-L428 HydrophobicContact CD1-CD2 4.24Å; F192-L428 HydrophobicContact CD2-CB 3.9Å; F192-L428 HydrophobicContact CD2-CD2 4.12Å; F192-L428 VanDerWaalsContact CD2-O 3.23Å; F192-L428 WeakPolarHBondContact CD2-O 3.33Å; F192-L428 HydrophobicContact CE1-CD2 4.47Å; F192-L428 HydrophobicContact CE2-CD2 4.37Å; F192-L428 WeakPolarHBondContact CE2-O 3.42Å; F192-L428 HydrophobicContact CG-CB 4.29Å; F192-L428 HydrophobicContact CG-CD2 4.04Å; M225-L428 HydrophobicContact CE-CD1 4.05Å; M225-L428 HydrophobicContact SD-CD1 3.97Å; L229-L428 HydrophobicContact CD1-CD2 3.88Å; L229-L428 HydrophobicContact CD2-CD1 4.48Å; L229-L428 HydrophobicContact CD2-CD2 3.7Å; L229-L428 HydrophobicContact CG-CD2 4.46Å; M233-L428 HydrophobicContact SD-CD2 4.08Å; I415-L428 HydrophobicContact CD1-CB 3.68Å; I415-L428 HydrophobicContact CG1-CB 4.19Å; I424-L428 HydrophobicContact CG2-CD1 4.37Å; I424-L428 VanDerWaalsContact O-CG 3.28Å; I424-L428 WeakPolarHBondContact O-CG 3.44Å; I424-L428 PolarHBondContact O-N 3.21Å; I424-L428 VanDerWaalsContact O-N 3.1Å; S425-L428 PolarHBondContact O-N 2.85Å; D426-L428 VanDerWaalsContact C-N 3.32Å; D426-L428 PolarHBondContact O-N 3.27Å; L428-A432 VanDerWaalsContact O-CB 3.28Å; L428-A432 WeakPolarHBondContact O-CB 3.13Å; L428-A432 PolarHBondContact O-N 3.1Å
429	L	98.8	Very high	97.3	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-48	175.9	176.1	60	0	0	0	111.7	I307 T412 I415 I416 S425 D426 E431 A432 I433	I307-L429 HydrophobicContact CD1-CD2 3.68Å; I307-L429 HydrophobicContact CD1-CG 4.47Å; I307-L429 HydrophobicContact CG1-CD2 3.87Å; I307-L429 HydrophobicContact CG1-CG 4.38Å; I307-L429 HydrophobicContact CG2-CD2 4.17Å; T412-L429 HydrophobicContact CG2-CD1 3.89Å; I415-L429 HydrophobicContact CG2-CB 4.21Å; I415-L429 HydrophobicContact CG2-CD1 3.91Å; I416-L429 HydrophobicContact CD1-CD2 3.72Å; I416-L429 HydrophobicContact CG1-CD2 3.6Å; S425-L429 PolarHBondContact O-N 2.92Å; D426-L429 PolarHBondContact O-N 2.93Å; L429-E431 VanDerWaalsContact C-N 3.35Å; L429-E431 PolarHBondContact O-N 2.7Å; L429-A432 WeakPolarHBondContact O-CB 3.41Å; L429-A432 PolarHBondContact O-N 3.07Å; L429-I433 HydrophobicContact CD1-CD1 3.86Å; L429-I433 HydrophobicContact CD1-CG1 4.03Å; L429-I433 HydrophobicContact CG-CD1 3.85Å; L429-I433 HydrophobicContact CG-CG1 4.42Å; L429-I433 VanDerWaalsContact O-CG1 3.29Å; L429-I433 WeakPolarHBondContact O-CG1 3.23Å; L429-I433 PolarHBondContact O-N 3.34Å
430	I	98.8	Very high	97.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.5	-49.7	178.9	-69	159.3	0	0	0	109.8	Y286 I303 L306 D426 M427 A432 I433 L434 W444	Y286-I430 HydrophobicContact CD2-CD1 3.97Å; Y286-I430 HydrophobicContact CD2-CG2 4.46Å; Y286-I430 HydrophobicContact CE1-CG2 4.2Å; Y286-I430 HydrophobicContact CE2-CB 4.23Å; Y286-I430 HydrophobicContact CE2-CD1 3.55Å; Y286-I430 HydrophobicContact CE2-CG1 4.5Å; Y286-I430 HydrophobicContact CE2-CG2 3.92Å; I303-I430 HydrophobicContact CB-CD1 4.44Å; I303-I430 HydrophobicContact CD1-CD1 4Å; I303-I430 HydrophobicContact CG1-CD1 3.79Å; I303-I430 HydrophobicContact CG2-CD1 3.87Å; I303-I430 HydrophobicContact CG2-CG1 4.26Å; L306-I430 HydrophobicContact CD2-CG1 4.44Å; L306-I430 HydrophobicContact CD2-CG2 3.99Å; D426-I430 HydrophobicContact CB-CD1 4.49Å; D426-I430 WeakPolarHBondContact O-CB 3.13Å; D426-I430 WeakPolarHBondContact O-CD1 3.38Å; D426-I430 WeakPolarHBondContact O-CG1 3.28Å; D426-I430 PolarHBondContact O-N 3Å; M427-I430 PolarHBondContact O-N 3.45Å; I430-A432 VanDerWaalsContact C-N 3.3Å; I430-A432 PolarHBondContact O-N 2.88Å; I430-I433 PolarHBondContact O-N 3.41Å; I430-I433 VanDerWaalsContact O-N 3.15Å; I430-L434 HydrophobicContact CG2-CD1 4.04Å; I430-L434 HydrophobicContact CG2-CG 4.35Å; I430-L434 WeakPolarHBondContact O-CG 3.44Å; I430-L434 PolarHBondContact O-N 3.11Å; I430-W444 HydrophobicContact CD1-CH2 4.4Å; I430-W444 HydrophobicContact CG2-CE3 4.34Å; I430-W444 HydrophobicContact CG2-CH2 3.82Å; I430-W444 HydrophobicContact CG2-CZ3 3.63Å
431	E	98.1	Very high	97.2	Very high	2 Å²	2	13 Å²	13	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-67	-31	-179.9	-69.1	-74.3	133.4	0	0	112.7	F192 L209 M233 R273 Y286 M427 L429 A435	F192-E431 HydrophobicContact CE2-CB 4.31Å; L209-E431 HydrophobicContact CD2-CG 4.17Å; M233-E431 HydrophobicContact CE-CB 4.15Å; M233-E431 HydrophobicContact CE-CG 3.57Å; R273-E431 IonicContact CZ-OE2 2.73Å; R273-E431 IonicContact NE-OE1 3.43Å; R273-E431 PolarHBondContact NE-OE1 3.24Å; R273-E431 IonicContact NE-OE2 2.84Å; R273-E431 PolarHBondContact NE-OE2 3.31Å; R273-E431 IonicContact NH2-OE2 3.98Å; R273-E431 PolarHBondContact NH2-OE2 3.39Å; Y286-E431 WeakPolarHBondContact CE1-OE1 3.23Å; Y286-E431 WeakPolarHBondContact OH-CG 3.37Å; Y286-E431 PolarHBondContact OH-OE1 3.24Å; M427-E431 WeakPolarHBondContact O-CB 3.43Å; M427-E431 WeakPolarHBondContact O-CG 3.41Å; M427-E431 PolarHBondContact O-N 2.92Å; L429-E431 VanDerWaalsContact C-N 3.35Å; L429-E431 PolarHBondContact O-N 2.7Å; E431-A435 WeakPolarHBondContact O-CB 3.43Å; E431-A435 PolarHBondContact O-N 3.07Å
432	A	97.7	Very high	97.2	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-66.4	-43.9	171	0	0	0	0	0	111.9	F192 L195 L428 L429 I430 A435 I436	F192-A432 HydrophobicContact CD2-CB 4.01Å; F192-A432 HydrophobicContact CE2-CB 4.08Å; L195-A432 HydrophobicContact CB-CB 3.8Å; L195-A432 HydrophobicContact CD1-CB 3.95Å; L428-A432 VanDerWaalsContact O-CB 3.28Å; L428-A432 WeakPolarHBondContact O-CB 3.13Å; L428-A432 PolarHBondContact O-N 3.1Å; L429-A432 WeakPolarHBondContact O-CB 3.41Å; L429-A432 PolarHBondContact O-N 3.07Å; I430-A432 VanDerWaalsContact C-N 3.3Å; I430-A432 PolarHBondContact O-N 2.88Å; A432-A435 PolarHBondContact O-N 2.78Å; A432-I436 WeakPolarHBondContact O-CB 3.43Å; A432-I436 VanDerWaalsContact O-CG1 3.25Å; A432-I436 WeakPolarHBondContact O-CG1 3.31Å; A432-I436 PolarHBondContact O-N 3.3Å
433	I	98.1	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-49.8	178.1	-66.6	169.1	0	0	0	110.5	L306 I307 F310 L429 I430 A435 I436 K437	L306-I433 HydrophobicContact CD1-CG2 3.73Å; L306-I433 HydrophobicContact CD2-CB 4.48Å; L306-I433 HydrophobicContact CD2-CG2 4.26Å; L306-I433 HydrophobicContact CG-CD1 4.42Å; L306-I433 HydrophobicContact CG-CG2 3.88Å; I307-I433 HydrophobicContact CB-CD1 4.47Å; I307-I433 HydrophobicContact CG1-CD1 3.9Å; F310-I433 HydrophobicContact CB-CD1 3.97Å; F310-I433 HydrophobicContact CB-CG1 4.15Å; F310-I433 HydrophobicContact CB-CG2 4.03Å; F310-I433 HydrophobicContact CD1-CD1 3.85Å; F310-I433 HydrophobicContact CD1-CG1 3.59Å; F310-I433 HydrophobicContact CD2-CG1 4.29Å; F310-I433 HydrophobicContact CD2-CG2 4.15Å; F310-I433 HydrophobicContact CE1-CG1 3.94Å; F310-I433 HydrophobicContact CG-CD1 4.05Å; F310-I433 HydrophobicContact CG-CG1 3.76Å; F310-I433 HydrophobicContact CG-CG2 4.09Å; F310-I433 HydrophobicContact CZ-CG1 4.43Å; L429-I433 HydrophobicContact CD1-CD1 3.86Å; L429-I433 HydrophobicContact CD1-CG1 4.03Å; L429-I433 HydrophobicContact CG-CD1 3.85Å; L429-I433 HydrophobicContact CG-CG1 4.42Å; L429-I433 VanDerWaalsContact O-CG1 3.29Å; L429-I433 WeakPolarHBondContact O-CG1 3.23Å; L429-I433 PolarHBondContact O-N 3.34Å; I430-I433 PolarHBondContact O-N 3.41Å; I430-I433 VanDerWaalsContact O-N 3.15Å; I433-A435 VanDerWaalsContact C-N 3.26Å; I433-A435 PolarHBondContact O-N 2.93Å; I433-I436 PolarHBondContact O-N 3.24Å; I433-K437 HydrophobicContact CG2-CD 3.97Å; I433-K437 HydrophobicContact CG2-CG 4.42Å; I433-K437 WeakPolarHBondContact O-CB 3.43Å; I433-K437 PolarHBondContact O-N 3.01Å
434	L	96.8	Very high	97	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-58	-42	178.3	-67.1	179.4	0	0	0	111	L306 I430 G438 M439 W444	L306-L434 HydrophobicContact CD2-CD2 4.31Å; I430-L434 HydrophobicContact CG2-CD1 4.04Å; I430-L434 HydrophobicContact CG2-CG 4.35Å; I430-L434 WeakPolarHBondContact O-CG 3.44Å; I430-L434 PolarHBondContact O-N 3.11Å; L434-G438 WeakPolarHBondContact O-CA 3.45Å; L434-G438 PolarHBondContact O-N 2.69Å; L434-M439 HydrophobicContact CD2-CB 4.08Å; L434-M439 HydrophobicContact CD2-CG 4.12Å; L434-M439 HydrophobicContact CD2-SD 4.16Å; L434-M439 PolarHBondContact O-N 3Å; L434-W444 HydrophobicContact CD1-CE3 4.11Å; L434-W444 HydrophobicContact CD1-CZ3 4.5Å; L434-W444 HydrophobicContact CD2-CB 3.99Å; L434-W444 HydrophobicContact CD2-CD2 4.42Å; L434-W444 HydrophobicContact CD2-CE3 4.18Å; L434-W444 HydrophobicContact CD2-CG 4.36Å
435	A	95.6	Very high	97	Very high	12 Å²	12	22.5 Å²	22.5	10%	0.099	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-48.5	176.5	0	0	0	0	0	113	A199 R202 E431 A432 I433 K437 G438	A199-A435 HydrophobicContact CB-CB 3.76Å; A199-A435 VanDerWaalsContact CB-O 3.25Å; A199-A435 WeakPolarHBondContact CB-O 3.3Å; R202-A435 HydrophobicContact CG-CB 4.39Å; E431-A435 WeakPolarHBondContact O-CB 3.43Å; E431-A435 PolarHBondContact O-N 3.07Å; A432-A435 PolarHBondContact O-N 2.78Å; I433-A435 VanDerWaalsContact C-N 3.26Å; I433-A435 PolarHBondContact O-N 2.93Å; A435-K437 VanDerWaalsContact C-N 3.33Å; A435-K437 PolarHBondContact O-N 3.12Å; A435-G438 PolarHBondContact O-N 3.18Å
436	I	95.6	Very high	96.9	Very high	41 Å²	41	26.1 Å²	26.1	21%	0.21	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-41.6	-179.7	-70.9	165.3	0	0	0	110.7	L195 N198 F310 L408 A432 I433 G438	L195-I436 HydrophobicContact CB-CD1 4.07Å; L195-I436 HydrophobicContact CD2-CD1 4.23Å; N198-I436 HydrophobicContact CB-CG1 4.39Å; F310-I436 HydrophobicContact CE2-CD1 4.37Å; F310-I436 HydrophobicContact CE2-CG2 4.08Å; F310-I436 HydrophobicContact CZ-CD1 3.92Å; L408-I436 HydrophobicContact CD2-CD1 4.11Å; A432-I436 WeakPolarHBondContact O-CB 3.43Å; A432-I436 VanDerWaalsContact O-CG1 3.25Å; A432-I436 WeakPolarHBondContact O-CG1 3.31Å; A432-I436 PolarHBondContact O-N 3.3Å; I433-I436 PolarHBondContact O-N 3.24Å; I436-G438 VanDerWaalsContact C-N 3.28Å; I436-G438 PolarHBondContact O-N 3.47Å
437	K	94.3	Very high	96.8	Very high	68 Å²	68	27.8 Å²	27.8	30%	0.296	16%	0.162	S	C	.	.	H	α-helix	trans	-77.2	-12	178.5	-73.4	-173.7	158.6	-69.7	0	113.8	E313 I433 A435 M439	E313-K437 IonicContact OE1-NZ 3.56Å; E313-K437 PolarHBondContact OE1-NZ 2.71Å; E313-K437 WeakPolarHBondContact OE2-CE 3.49Å; E313-K437 IonicContact OE2-NZ 3.6Å; E313-K437 PolarHBondContact OE2-NZ 3.31Å; I433-K437 HydrophobicContact CG2-CD 3.97Å; I433-K437 HydrophobicContact CG2-CG 4.42Å; I433-K437 WeakPolarHBondContact O-CB 3.43Å; I433-K437 PolarHBondContact O-N 3.01Å; A435-K437 VanDerWaalsContact C-N 3.33Å; A435-K437 PolarHBondContact O-N 3.12Å; K437-M439 HydrophobicContact CB-CB 3.95Å; K437-M439 HydrophobicContact CD-CE 4.02Å; K437-M439 PolarHBondContact O-N 3.35Å
438	G	93.5	Very high	96.7	Very high	43 Å²	43	28.5 Å²	28.5	44%	0.443	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	31.2	-171	0	0	0	0	0	112.6	L434 A435 I436	L434-G438 WeakPolarHBondContact O-CA 3.45Å; L434-G438 PolarHBondContact O-N 2.69Å; A435-G438 PolarHBondContact O-N 3.18Å; I436-G438 VanDerWaalsContact C-N 3.28Å; I436-G438 PolarHBondContact O-N 3.47Å
439	M	93.7	Very high	96.6	Very high	38 Å²	38	33.2 Å²	33.2	19%	0.187	20%	0.198	C	C	.	.			trans	-95.2	133.5	-170.4	-174.6	179.1	-78.2	0	0	110.8	L306 L434 K437 Q443 W444 I447	L306-M439 HydrophobicContact CD1-SD 4.27Å; L434-M439 HydrophobicContact CD2-CB 4.08Å; L434-M439 HydrophobicContact CD2-CG 4.12Å; L434-M439 HydrophobicContact CD2-SD 4.16Å; L434-M439 PolarHBondContact O-N 3Å; K437-M439 HydrophobicContact CB-CB 3.95Å; K437-M439 HydrophobicContact CD-CE 4.02Å; K437-M439 PolarHBondContact O-N 3.35Å; M439-Q443 HydrophobicContact CG-CB 3.59Å; M439-W444 HydrophobicContact CG-CB 4.39Å; M439-W444 HydrophobicContact SD-CB 3.82Å; M439-I447 HydrophobicContact SD-CD1 4.41Å
440	T	94.9	Very high	96.5	Very high	57 Å²	57	35.5 Å²	35.5	35%	0.35	21%	0.211	S	C	.	.			trans	-81.1	163.5	170.3	78.7	0	0	0	0	111.1	Q442 Q443 W444	T440-Q442 VanDerWaalsContact C-N 3.25Å; T440-Q442 PolarHBondContact O-N 2.76Å; T440-Q442 PolarHBondContact OG1-N 3.46Å; T440-Q442 PolarHBondContact OG1-OE1 2.95Å; T440-Q443 PolarHBondContact O-N 3.27Å; T440-Q443 VanDerWaalsContact O-N 3.1Å; T440-Q443 PolarHBondContact OG1-N 3.43Å; T440-W444 PolarHBondContact O-N 2.97Å
441	V	96.2	Very high	96.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-33.5	176.8	63.2	0	0	0	0	112.6	R273 Y288 L298 W444 D445	R273-V441 HydrophobicContact CG-CB 3.85Å; R273-V441 HydrophobicContact CG-CG1 3.96Å; Y288-V441 HydrophobicContact CD1-CB 4.35Å; Y288-V441 HydrophobicContact CD1-CG1 3.88Å; Y288-V441 HydrophobicContact CD1-CG2 3.61Å; Y288-V441 HydrophobicContact CD2-CG1 4.26Å; Y288-V441 HydrophobicContact CE1-CG2 4.24Å; Y288-V441 HydrophobicContact CG-CG1 3.74Å; Y288-V441 HydrophobicContact CG-CG2 4.25Å; L298-V441 HydrophobicContact CD1-CG2 3.76Å; L298-V441 HydrophobicContact CD2-CG2 3.95Å; V441-W444 HydrophobicContact CG2-CE3 4.36Å; V441-W444 PolarHBondContact O-N 3.18Å; V441-D445 WeakPolarHBondContact O-CB 3.31Å; V441-D445 PolarHBondContact O-N 3.34Å
442	Q	96.6	Very high	96.2	Very high	70 Å²	70	38.2 Å²	38.2	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-38.5	174.1	-57.2	85.2	-10.7	0	0	111.8	Y288 T440 D445 A446	Y288-Q442 HydrophobicContact CD2-CG 4.15Å; Y288-Q442 HydrophobicContact CE2-CG 3.54Å; T440-Q442 VanDerWaalsContact C-N 3.25Å; T440-Q442 PolarHBondContact O-N 2.76Å; T440-Q442 PolarHBondContact OG1-N 3.46Å; T440-Q442 PolarHBondContact OG1-OE1 2.95Å; Q442-D445 PolarHBondContact O-N 2.68Å; Q442-A446 VanDerWaalsContact O-CB 3.25Å; Q442-A446 WeakPolarHBondContact O-CB 3.42Å; Q442-A446 PolarHBondContact O-N 2.91Å
443	Q	96.9	Very high	96.1	Very high	106 Å²	106	39 Å²	39	50%	0.495	23%	0.231	S	C	.	.	H	α-helix	trans	-70.3	-35.4	176.4	-71.3	174.1	-36	0	0	111.7	M439 T440 A446	M439-Q443 HydrophobicContact CG-CB 3.59Å; T440-Q443 PolarHBondContact O-N 3.27Å; T440-Q443 VanDerWaalsContact O-N 3.1Å; T440-Q443 PolarHBondContact OG1-N 3.43Å; Q443-A446 PolarHBondContact O-N 3.03Å
444	W	97.9	Very high	95.8	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-47.9	170.5	172.1	20.4	0	0	0	110.8	Y286 L298 K302 I303 L306 I430 L434 M439 T440 V441 A446 I447	Y286-W444 HydrophobicContact CD1-CH2 4.41Å; Y286-W444 AromaticContact CD1-CZ3 3.78Å; Y286-W444 HydrophobicContact CD1-CZ3 3.78Å; Y286-W444 AromaticContact CD2-CH2 3.96Å; Y286-W444 HydrophobicContact CD2-CH2 3.96Å; Y286-W444 HydrophobicContact CD2-CZ3 4.14Å; Y286-W444 HydrophobicContact CE1-CZ3 4.4Å; Y286-W444 AromaticContact CG-CH2 3.8Å; Y286-W444 HydrophobicContact CG-CH2 3.8Å; Y286-W444 AromaticContact CG-CZ3 3.62Å; Y286-W444 HydrophobicContact CG-CZ3 3.62Å; L298-W444 HydrophobicContact CB-CH2 4.03Å; L298-W444 HydrophobicContact CB-CZ2 4.1Å; L298-W444 HydrophobicContact CB-CZ3 4.33Å; L298-W444 HydrophobicContact CD2-CB 4.25Å; L298-W444 HydrophobicContact CD2-CD2 3.28Å; L298-W444 HydrophobicContact CD2-CE3 3.39Å; L298-W444 HydrophobicContact CD2-CG 3.71Å; L298-W444 HydrophobicContact CD2-CH2 4.15Å; L298-W444 HydrophobicContact CD2-CZ2 4.07Å; L298-W444 HydrophobicContact CD2-CZ3 3.83Å; K302-W444 HydrophobicContact CB-CZ2 4.1Å; K302-W444 PolarHBondContact O-NE1 2.74Å; I303-W444 HydrophobicContact CG1-CH2 4.04Å; I303-W444 HydrophobicContact CG1-CZ2 3.91Å; L306-W444 HydrophobicContact CB-CZ2 4.48Å; L306-W444 HydrophobicContact CD1-CG 4.32Å; L306-W444 HydrophobicContact CD2-CD2 3.92Å; L306-W444 HydrophobicContact CD2-CE3 4.34Å; L306-W444 HydrophobicContact CD2-CG 4.33Å; L306-W444 HydrophobicContact CD2-CH2 4.47Å; L306-W444 HydrophobicContact CD2-CZ2 4.05Å; I430-W444 HydrophobicContact CD1-CH2 4.4Å; I430-W444 HydrophobicContact CG2-CE3 4.34Å; I430-W444 HydrophobicContact CG2-CH2 3.82Å; I430-W444 HydrophobicContact CG2-CZ3 3.63Å; L434-W444 HydrophobicContact CD1-CE3 4.11Å; L434-W444 HydrophobicContact CD1-CZ3 4.5Å; L434-W444 HydrophobicContact CD2-CB 3.99Å; L434-W444 HydrophobicContact CD2-CD2 4.42Å; L434-W444 HydrophobicContact CD2-CE3 4.18Å; L434-W444 HydrophobicContact CD2-CG 4.36Å; M439-W444 HydrophobicContact CG-CB 4.39Å; M439-W444 HydrophobicContact SD-CB 3.82Å; T440-W444 PolarHBondContact O-N 2.97Å; V441-W444 HydrophobicContact CG2-CE3 4.36Å; V441-W444 PolarHBondContact O-N 3.18Å; W444-A446 VanDerWaalsContact C-N 3.26Å; W444-A446 PolarHBondContact O-N 2.72Å; W444-I447 WeakPolarHBondContact O-CB 3.35Å; W444-I447 WeakPolarHBondContact O-CG1 3.18Å; W444-I447 PolarHBondContact O-N 3.27Å; W444-I447 VanDerWaalsContact O-N 3.13Å
445	D	98	Very high	95.6	Very high	24 Å²	24	44.6 Å²	44.6	13%	0.128	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-40.4	177.4	-170.1	21.4	0	0	0	111.8	Y288 H296 L298 K302 V441 Q442 I447	Y288-D445 HydrophobicContact CE1-CB 3.94Å; Y288-D445 WeakPolarHBondContact CE1-OD2 3.44Å; Y288-D445 PolarHBondContact OH-OD2 3.03Å; H296-D445 IonicContact CG-OD2 3.84Å; H296-D445 IonicContact ND1-OD2 3.01Å; L298-D445 HydrophobicContact CD2-CB 3.99Å; L298-D445 HydrophobicContact CG-CB 4.36Å; K302-D445 PolarHBondContact NZ-O 2.65Å; K302-D445 IonicContact NZ-OD1 3.11Å; K302-D445 PolarHBondContact NZ-OD1 3.06Å; V441-D445 WeakPolarHBondContact O-CB 3.31Å; V441-D445 PolarHBondContact O-N 3.34Å; Q442-D445 PolarHBondContact O-N 2.68Å; D445-I447 PolarHBondContact O-N 3.27Å; D445-I447 VanDerWaalsContact O-N 3.13Å
446	A	97.2	Very high	95.4	Very high	75 Å²	75	45.7 Å²	45.7	62%	0.62	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.1	179.1	0	0	0	0	0	115.5	Q442 Q443 W444 Y448	Q442-A446 VanDerWaalsContact O-CB 3.25Å; Q442-A446 WeakPolarHBondContact O-CB 3.42Å; Q442-A446 PolarHBondContact O-N 2.91Å; Q443-A446 PolarHBondContact O-N 3.03Å; W444-A446 VanDerWaalsContact C-N 3.26Å; W444-A446 PolarHBondContact O-N 2.72Å; A446-Y448 PolarHBondContact O-N 3.07Å
447	I	96.8	Very high	95.3	Very high	36 Å²	36	48.8 Å²	48.8	19%	0.185	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-38.8	174.6	-69.5	178.8	0	0	0	110.7	L306 Y339 M439 W444 D445	L306-I447 HydrophobicContact CD1-CD1 4.35Å; Y339-I447 HydrophobicContact CD1-CG2 4.32Å; Y339-I447 HydrophobicContact CD2-CG2 4.37Å; Y339-I447 HydrophobicContact CE1-CG2 3.61Å; Y339-I447 HydrophobicContact CE2-CG2 3.68Å; Y339-I447 WeakPolarHBondContact CE2-O 3.19Å; Y339-I447 WeakPolarHBondContact OH-CG2 3.42Å; M439-I447 HydrophobicContact SD-CD1 4.41Å; W444-I447 WeakPolarHBondContact O-CB 3.35Å; W444-I447 WeakPolarHBondContact O-CG1 3.18Å; W444-I447 PolarHBondContact O-N 3.27Å; W444-I447 VanDerWaalsContact O-N 3.13Å; D445-I447 PolarHBondContact O-N 3.27Å; D445-I447 VanDerWaalsContact O-N 3.13Å
448	Y	97.3	Very high	95.2	Very high	16 Å²	16	45.7 Å²	45.7	6%	0.063	26%	0.257	C	S	.	.	S	Bend	trans	-156.4	157	167.9	65.7	-87.2	0	0	0	109.9	K302 T305 S336 Y339 A446 D450	K302-Y448 HydrophobicContact CD-CE1 3.94Å; K302-Y448 HydrophobicContact CD-CE2 4.39Å; K302-Y448 PolarHBondContact N-OH 3.34Å; K302-Y448 PolarHBondContact NZ-O 3.1Å; T305-Y448 HydrophobicContact CG2-CD1 4.43Å; T305-Y448 HydrophobicContact CG2-CE1 3.66Å; T305-Y448 WeakPolarHBondContact OG1-CE1 3.37Å; S336-Y448 VanDerWaalsContact CB-OH 3.27Å; S336-Y448 WeakPolarHBondContact CB-OH 3.49Å; Y339-Y448 HydrophobicContact CD1-CD1 4.23Å; Y339-Y448 HydrophobicContact CG-CD1 4.09Å; Y339-Y448 HydrophobicContact CG-CG 4.4Å; A446-Y448 PolarHBondContact O-N 3.07Å; Y448-D450 VanDerWaalsContact CE2-OD1 3.29Å; Y448-D450 WeakPolarHBondContact CE2-OD1 3.07Å
449	S	96.3	Very high	95.2	Very high	99 Å²	99	50.3 Å²	50.3	69%	0.692	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-98.3	125.9	176	-55.5	0	0	0	0	110.6	S335	S335-S449 WeakPolarHBondContact CB-O 3.19Å; S335-S449 PolarHBondContact OG-O 3.39Å
450	D	96.2	Very high	95	Very high	49 Å²	49	48.9 Å²	48.9	26%	0.262	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-62.2	146.2	173.6	-78.4	-46.2	0	0	0	111.2	K302 N333 Y448	K302-D450 VanDerWaalsContact CE-OD2 3.29Å; K302-D450 WeakPolarHBondContact CE-OD2 3.36Å; K302-D450 IonicContact NZ-OD2 3.29Å; N333-D450 WeakPolarHBondContact CB-OD1 3.47Å; N333-D450 PolarHBondContact OD1-OD1 2.93Å; Y448-D450 VanDerWaalsContact CE2-OD1 3.29Å; Y448-D450 WeakPolarHBondContact CE2-OD1 3.07Å
451	L	96.7	Very high	94.5	Very high	23 Å²	23	50.4 Å²	50.4	12%	0.12	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-66.8	137.3	160.3	-70.1	174	0	0	0	109.1	N333 S335 N453 K494 E513	N333-L451 PolarHBondContact ND2-N 3.19Å; N333-L451 PolarHBondContact ND2-O 3.02Å; N333-L451 PolarHBondContact OD1-N 2.9Å; S335-L451 PolarHBondContact OG-N 3.44Å; L451-N453 PolarHBondContact O-N 3.06Å; L451-N453 PolarHBondContact O-ND2 3.04Å; L451-K494 HydrophobicContact CD1-CB 4.35Å; L451-K494 WeakPolarHBondContact CD1-O 3.4Å; L451-K494 HydrophobicContact CD2-CB 4.08Å; L451-K494 HydrophobicContact CD2-CD 3.99Å; L451-E513 HydrophobicContact CB-CB 4.17Å; L451-E513 HydrophobicContact CD1-CG 4.18Å
452	P	94.9	Very high	94	Very high	35 Å²	35	52.6 Å²	52.6	23%	0.227	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-47.3	131.6	164.4	-30	35.7	0	0	0	111	E513 A514 T516 Q517 A520	P452-E513 VanDerWaalsContact O-CA 3.24Å; P452-E513 WeakPolarHBondContact O-CA 3.49Å; P452-A514 VanDerWaalsContact CD-O 3.29Å; P452-A514 WeakPolarHBondContact CD-O 3.26Å; P452-A514 PolarHBondContact O-N 3.43Å; P452-T516 VanDerWaalsContact CB-C 3.45Å; P452-Q517 HydrophobicContact CB-CB 4.24Å; P452-A520 HydrophobicContact CB-CB 4.31Å; P452-A520 WeakPolarHBondContact O-CB 3.23Å
453	N	94.4	Very high	93.3	Very high	18 Å²	18	52.2 Å²	52.2	10%	0.096	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157	-172.4	65.9	90.3	0	0	0	112.1	N333 L451 Y511 A512 E513	N333-N453 PolarHBondContact ND2-ND2 3.03Å; L451-N453 PolarHBondContact O-N 3.06Å; L451-N453 PolarHBondContact O-ND2 3.04Å; N453-Y511 HydrophobicContact CB-CE2 4.22Å; N453-A512 CarbonylContact C-O 3.56Å; N453-A512 WeakPolarHBondContact CA-O 3.24Å; N453-A512 WeakPolarHBondContact CB-O 3.48Å; N453-E513 HydrophobicContact CB-CB 3.93Å
454	R	92.9	Very high	92.7	Very high	65 Å²	65	56 Å²	56	25%	0.245	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.3	-179.6	-175.2	64.5	64.7	-173.9	6.3	111	L456 A512 D521 A524 L545	R454-L456 HydrophobicContact CG-CD2 4.17Å; R454-L456 HydrophobicContact CG-CG 4.09Å; R454-A512 PolarHBondContact N-O 2.89Å; R454-A512 PolarHBondContact O-N 2.57Å; R454-D521 IonicContact CZ-OD1 2.97Å; R454-D521 VanDerWaalsContact CZ-OD1 3.28Å; R454-D521 IonicContact CZ-OD2 2.85Å; R454-D521 IonicContact NE-OD1 3.25Å; R454-D521 PolarHBondContact NE-OD1 2.87Å; R454-D521 IonicContact NE-OD2 3.32Å; R454-D521 IonicContact NH2-OD1 3.59Å; R454-D521 PolarHBondContact NH2-OD1 3.03Å; R454-D521 IonicContact NH2-OD2 2.83Å; R454-D521 PolarHBondContact NH2-OD2 3.33Å; R454-A524 HydrophobicContact CB-CB 3.87Å; R454-A524 HydrophobicContact CG-CB 3.81Å; R454-L545 HydrophobicContact CG-CD1 3.61Å
455	Q	92.2	Very high	92.2	Very high	59 Å²	59	58.7 Å²	58.7	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.9	171.5	-171.8	176.7	3.8	0	0	110.4	Y331 V510	Y331-Q455 HydrophobicContact CE1-CG 4.5Å; Q455-V510 CarbonylContact C-O 3.58Å; Q455-V510 WeakPolarHBondContact CA-O 3.4Å
456	L	91.7	Very high	91.9	Very high	35 Å²	35	57.6 Å²	57.6	18%	0.183	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	162.1	177.3	-62.4	-179.4	0	0	0	111.5	R454 V510 A524 L545	R454-L456 HydrophobicContact CG-CD2 4.17Å; R454-L456 HydrophobicContact CG-CG 4.09Å; L456-V510 HydrophobicContact CB-CB 4.44Å; L456-V510 PolarHBondContact N-O 2.95Å; L456-V510 PolarHBondContact O-N 3.33Å; L456-A524 HydrophobicContact CD1-CB 3.89Å; L456-A524 HydrophobicContact CG-CB 4.27Å; L456-L545 HydrophobicContact CD1-CD1 4.23Å; L456-L545 HydrophobicContact CD2-CD1 4.22Å; L456-L545 HydrophobicContact CD2-CD2 4.2Å
457	K	92.3	Very high	91.7	Very high	105 Å²	105	58.6 Å²	58.6	46%	0.457	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.8	174	-60.5	-175.9	-177.3	-169	0	108.9	E505 V507 V508	K457-E505 IonicContact NZ-OE1 2.91Å; K457-E505 PolarHBondContact NZ-OE1 3.25Å; K457-E505 IonicContact NZ-OE2 2.88Å; K457-E505 PolarHBondContact NZ-OE2 2.86Å; K457-V507 HydrophobicContact CB-CG2 4.49Å; K457-V507 HydrophobicContact CD-CG2 4.36Å; K457-V508 WeakPolarHBondContact CA-O 3.42Å
458	V	93.3	Very high	91.6	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.5	173.1	-176.7	0	0	0	0	108.8	V460 V507 V508 V510 V531 Y532 P542	V458-V460 HydrophobicContact CG1-CG1 4.35Å; V458-V507 CarbonylContact O-C 3.46Å; V458-V507 VanDerWaalsContact O-CA 3.32Å; V458-V507 WeakPolarHBondContact O-CA 3.43Å; V458-V507 WeakPolarHBondContact O-CB 3.36Å; V458-V508 PolarHBondContact N-O 3.2Å; V458-V508 PolarHBondContact O-N 3.3Å; V458-V510 HydrophobicContact CG2-CG2 3.86Å; V458-V531 HydrophobicContact CB-CG1 3.98Å; V458-V531 HydrophobicContact CG1-CB 4.45Å; V458-V531 HydrophobicContact CG1-CG1 3.89Å; V458-V531 HydrophobicContact CG2-CB 4.37Å; V458-V531 HydrophobicContact CG2-CG1 4.27Å; V458-Y532 HydrophobicContact CG1-CD2 4.21Å; V458-P542 HydrophobicContact CG2-CG 4.41Å
459	K	92.3	Very high	91.5	Very high	141 Å²	141	61.2 Å²	61.2	61%	0.613	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.3	173.6	-70.7	-179	-179.3	177.3	0	109.2	V507 G537 V538	K459-V507 HydrophobicContact CG-CG1 4.17Å; K459-G537 WeakPolarHBondContact O-CA 3.33Å; K459-V538 HydrophobicContact CB-CG2 4.1Å; K459-V538 WeakPolarHBondContact CB-O 3.42Å; K459-V538 PolarHBondContact O-N 2.87Å
460	V	89.3	Confident	91.5	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.042	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-131	153.8	-179.3	-65.6	0	0	0	0	109.8	V458 D462 R463 V508 V531 G536	V458-V460 HydrophobicContact CG1-CG1 4.35Å; V460-D462 VanDerWaalsContact C-N 3.29Å; V460-D462 PolarHBondContact O-N 3.4Å; V460-R463 HydrophobicContact CG2-CB 4.04Å; V460-V508 HydrophobicContact CG1-CG2 3.84Å; V460-V508 HydrophobicContact CG2-CG2 3.82Å; V460-V531 HydrophobicContact CG1-CG1 4.44Å; V460-G536 WeakPolarHBondContact CA-O 3.4Å
461	S	86.3	Confident	91.3	Very high	90 Å²	90	58.9 Å²	58.9	63%	0.629	30%	0.295	S	S	*	.	S	Bend	trans	-66	-33.8	178.6	58.2	0	0	0	0	112.7	G536	S461-G536 PolarHBondContact N-O 3.35Å; S461-G536 PolarHBondContact OG-O 3.49Å
462	D	84.1	Confident	91.2	Very high	47 Å²	47	58.6 Å²	58.6	25%	0.251	29%	0.293	S	S	.	.			trans	-148.2	112.7	174.8	-173.7	-8.5	0	0	0	109.8	V460 R464 V465	V460-D462 VanDerWaalsContact C-N 3.29Å; V460-D462 PolarHBondContact O-N 3.4Å; D462-R464 PolarHBondContact O-N 3.45Å; D462-R464 VanDerWaalsContact OD1-CB 3.27Å; D462-R464 WeakPolarHBondContact OD1-CB 3.32Å; D462-R464 WeakPolarHBondContact OD1-CG 3.17Å; D462-R464 IonicContact OD1-CZ 3.46Å; D462-R464 PolarHBondContact OD1-N 2.97Å; D462-R464 IonicContact OD1-NE 2.99Å; D462-R464 PolarHBondContact OD1-NE 2.99Å; D462-R464 IonicContact OD1-NH2 3.03Å; D462-R464 IonicContact OD2-CZ 3.73Å; D462-R464 IonicContact OD2-NE 3.07Å; D462-R464 PolarHBondContact OD2-NE 3.34Å; D462-R464 IonicContact OD2-NH2 3.91Å; D462-R464 PolarHBondContact OD2-NH2 3.22Å; D462-V465 HydrophobicContact CB-CG2 4.07Å; D462-V465 WeakPolarHBondContact O-CB 3.43Å; D462-V465 VanDerWaalsContact O-CG2 3.31Å; D462-V465 WeakPolarHBondContact O-CG2 3.27Å; D462-V465 PolarHBondContact O-N 3.22Å
463	R	82.1	Confident	91.3	Very high	63 Å²	63	61.5 Å²	61.5	24%	0.238	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-64.7	-20.3	179.3	61.2	170.3	165.9	130.6	6.4	113.8	V460 V465 I466 P501 S502 G503 E505 D506	V460-R463 HydrophobicContact CG2-CB 4.04Å; R463-V465 PolarHBondContact O-N 2.97Å; R463-I466 PolarHBondContact O-N 3.47Å; R463-P501 HydrophobicContact CB-CB 4.13Å; R463-S502 VanDerWaalsContact CD-O 3.32Å; R463-S502 WeakPolarHBondContact CD-O 3.39Å; R463-S502 PolarHBondContact NH1-O 3.38Å; R463-G503 PolarHBondContact NH1-O 3.43Å; R463-E505 WeakPolarHBondContact CD-O 3.19Å; R463-D506 IonicContact CZ-OD1 3.11Å; R463-D506 IonicContact NE-OD1 3.97Å; R463-D506 PolarHBondContact NE-OD1 2.79Å
464	R	84.4	Confident	91.4	Very high	186 Å²	186	65.2 Å²	65.2	70%	0.702	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-73.7	-5.4	-179.8	-58.9	168.5	-65.6	-176.2	5.2	113	D462 I466	D462-R464 PolarHBondContact O-N 3.45Å; D462-R464 VanDerWaalsContact OD1-CB 3.27Å; D462-R464 WeakPolarHBondContact OD1-CB 3.32Å; D462-R464 WeakPolarHBondContact OD1-CG 3.17Å; D462-R464 IonicContact OD1-CZ 3.46Å; D462-R464 PolarHBondContact OD1-N 2.97Å; D462-R464 IonicContact OD1-NE 2.99Å; D462-R464 PolarHBondContact OD1-NE 2.99Å; D462-R464 IonicContact OD1-NH2 3.03Å; D462-R464 IonicContact OD2-CZ 3.73Å; D462-R464 IonicContact OD2-NE 3.07Å; D462-R464 PolarHBondContact OD2-NE 3.34Å; D462-R464 IonicContact OD2-NH2 3.91Å; D462-R464 PolarHBondContact OD2-NH2 3.22Å; R464-I466 PolarHBondContact O-N 3.43Å
465	V	87.5	Confident	91.6	Very high	56 Å²	56	62.6 Å²	62.6	34%	0.339	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-67.4	-20.9	172	176.6	0	0	0	0	111.5	D462 R463 T477 P478	D462-V465 HydrophobicContact CB-CG2 4.07Å; D462-V465 WeakPolarHBondContact O-CB 3.43Å; D462-V465 VanDerWaalsContact O-CG2 3.31Å; D462-V465 WeakPolarHBondContact O-CG2 3.27Å; D462-V465 PolarHBondContact O-N 3.22Å; R463-V465 PolarHBondContact O-N 2.97Å; V465-T477 CarbonylContact O-C 3.47Å; V465-T477 WeakPolarHBondContact O-CB 3.4Å; V465-T477 PolarHBondContact O-OG1 2.91Å; V465-T477 VanDerWaalsContact O-OG1 3.07Å; V465-P478 HydrophobicContact CG1-CB 4.46Å; V465-P478 HydrophobicContact CG1-CG 4.47Å
466	I	92	Very high	91.8	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.316	C	S	.	.			trans	-103.4	108.6	176.1	-56.9	-172.5	0	0	0	110.5	R463 R464 T468 T477 L481 V508 V531 A535	R463-I466 PolarHBondContact O-N 3.47Å; R464-I466 PolarHBondContact O-N 3.43Å; I466-T468 HydrophobicContact CG2-CG2 4.12Å; I466-T477 WeakPolarHBondContact CA-O 3.37Å; I466-L481 HydrophobicContact CD1-CD2 3.99Å; I466-L481 HydrophobicContact CG1-CD2 4.4Å; I466-V508 HydrophobicContact CD1-CB 4.12Å; I466-V508 HydrophobicContact CD1-CG1 3.56Å; I466-V508 HydrophobicContact CD1-CG2 3.47Å; I466-V508 VanDerWaalsContact CD1-CG2 3.47Å; I466-V508 HydrophobicContact CG1-CG2 4.3Å; I466-V531 HydrophobicContact CD1-CG1 4.2Å; I466-A535 HydrophobicContact CD1-CB 3.86Å; I466-A535 HydrophobicContact CG1-CB 3.92Å
467	D	92.9	Very high	91.9	Very high	95 Å²	95	64.3 Å²	64.3	51%	0.508	32%	0.32	S	S	.	.			trans	-99.2	151.2	163.3	-68	-47.9	0	0	0	110.5	A475 V476 T477	D467-A475 WeakPolarHBondContact O-CA 3.49Å; D467-V476 HydrophobicContact CB-CB 4.45Å; D467-V476 PolarHBondContact O-N 3.15Å; D467-T477 VanDerWaalsContact CB-OG1 3.3Å; D467-T477 WeakPolarHBondContact CB-OG1 3.47Å; D467-T477 PolarHBondContact N-OG1 2.91Å; D467-T477 PolarHBondContact O-N 3.4Å; D467-T477 PolarHBondContact OD2-OG1 2.82Å
468	T	95.3	Very high	92.1	Very high	31 Å²	31	60.5 Å²	60.5	19%	0.19	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.3	-177.2	66.3	0	0	0	0	112.6	I466 R474 R500	I466-T468 HydrophobicContact CG2-CG2 4.12Å; T468-R474 CarbonylContact C-O 3.58Å; T468-R474 WeakPolarHBondContact CA-O 3.28Å; T468-R474 WeakPolarHBondContact CB-O 3.42Å; T468-R500 HydrophobicContact CG2-CB 4.3Å
469	T	95.3	Very high	92.2	Very high	77 Å²	77	64.8 Å²	64.8	47%	0.472	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	179.6	173.9	-168.2	0	0	0	0	110	S471 E472 R473 R474 V476	T469-S471 PolarHBondContact O-N 2.94Å; T469-E472 WeakPolarHBondContact O-CA 3.19Å; T469-E472 PolarHBondContact O-N 2.91Å; T469-E472 VanDerWaalsContact O-N 3.09Å; T469-R473 PolarHBondContact O-N 2.69Å; T469-R474 HydrophobicContact CG2-CB 3.93Å; T469-R474 PolarHBondContact N-O 3.08Å; T469-R474 PolarHBondContact O-N 2.91Å; T469-V476 HydrophobicContact CG2-CG2 3.67Å
470	D	94.6	Very high	92.4	Very high	70 Å²	70	59.6 Å²	59.6	37%	0.374	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	57.6	175.8	-174.7	36.5	0	0	0	113.2	E472 R473 R474	D470-E472 PolarHBondContact O-N 2.94Å; D470-R473 VanDerWaalsContact O-CB 3.24Å; D470-R473 WeakPolarHBondContact O-CB 3.42Å; D470-R473 VanDerWaalsContact O-CG 3.3Å; D470-R473 WeakPolarHBondContact O-CG 2.95Å; D470-R473 PolarHBondContact O-N 3.08Å; D470-R473 PolarHBondContact O-NE 3.37Å; D470-R473 VanDerWaalsContact O-NE 3.16Å; D470-R473 IonicContact OD1-CZ 2.74Å; D470-R473 IonicContact OD1-NE 3.97Å; D470-R473 IonicContact OD1-NH2 2.79Å; D470-R473 PolarHBondContact OD1-NH2 3.1Å; D470-R473 IonicContact OD2-CZ 2.79Å; D470-R473 IonicContact OD2-NE 3.24Å; D470-R473 PolarHBondContact OD2-NE 2.91Å; D470-R473 IonicContact OD2-NH2 3.5Å; D470-R473 PolarHBondContact OD2-NH2 3.3Å; D470-R473 VanDerWaalsContact OD2-NH2 3.09Å; D470-R474 HydrophobicContact CB-CG 4.38Å
471	S	93.9	Very high	92.8	Very high	29 Å²	29	59.3 Å²	59.3	20%	0.203	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	39.9	-175.7	-66.4	0	0	0	0	113.2	C350 T351 T469 R473	C350-S471 PolarHBondContact O-OG 3.09Å; T351-S471 WeakPolarHBondContact CA-OG 3.14Å; T469-S471 PolarHBondContact O-N 2.94Å; S471-R473 PolarHBondContact O-N 3.11Å
472	E	94.6	Very high	93.4	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.075	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	13.3	-178.4	-46.6	179	111.5	0	0	115.1	K352 T353 T469 D470 F498 R500	K352-E472 HydrophobicContact CB-CG 4.1Å; K352-E472 HydrophobicContact CD-CG 4.41Å; K352-E472 HydrophobicContact CG-CG 4Å; T353-E472 WeakPolarHBondContact CB-OE2 3.35Å; T353-E472 PolarHBondContact N-OE2 3.3Å; T353-E472 PolarHBondContact OG1-OE2 3.47Å; T469-E472 WeakPolarHBondContact O-CA 3.19Å; T469-E472 PolarHBondContact O-N 2.91Å; T469-E472 VanDerWaalsContact O-N 3.09Å; D470-E472 PolarHBondContact O-N 2.94Å; E472-F498 WeakPolarHBondContact O-CD2 3.43Å; E472-R500 HydrophobicContact CB-CB 4.49Å; E472-R500 IonicContact OE1-CZ 2.74Å; E472-R500 VanDerWaalsContact OE1-CZ 3.32Å; E472-R500 IonicContact OE1-NE 3.31Å; E472-R500 PolarHBondContact OE1-NE 3.14Å; E472-R500 IonicContact OE1-NH2 3.21Å; E472-R500 PolarHBondContact OE1-NH2 3.26Å; E472-R500 IonicContact OE2-CZ 2.89Å; E472-R500 IonicContact OE2-NE 2.74Å; E472-R500 PolarHBondContact OE2-NE 3.25Å; E472-R500 IonicContact OE2-NH2 3.39Å
473	R	96.1	Very high	94	Very high	96 Å²	96	58.6 Å²	58.6	36%	0.362	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-17.2	179.1	-63.5	-177.9	-66.3	-175.4	-0.3	113.6	A330 T469 D470 S471 F498	A330-R473 HydrophobicContact CB-CG 3.67Å; T469-R473 PolarHBondContact O-N 2.69Å; D470-R473 VanDerWaalsContact O-CB 3.24Å; D470-R473 WeakPolarHBondContact O-CB 3.42Å; D470-R473 VanDerWaalsContact O-CG 3.3Å; D470-R473 WeakPolarHBondContact O-CG 2.95Å; D470-R473 PolarHBondContact O-N 3.08Å; D470-R473 PolarHBondContact O-NE 3.37Å; D470-R473 VanDerWaalsContact O-NE 3.16Å; D470-R473 IonicContact OD1-CZ 2.74Å; D470-R473 IonicContact OD1-NE 3.97Å; D470-R473 IonicContact OD1-NH2 2.79Å; D470-R473 PolarHBondContact OD1-NH2 3.1Å; D470-R473 IonicContact OD2-CZ 2.79Å; D470-R473 IonicContact OD2-NE 3.24Å; D470-R473 PolarHBondContact OD2-NE 2.91Å; D470-R473 IonicContact OD2-NH2 3.5Å; D470-R473 PolarHBondContact OD2-NH2 3.3Å; D470-R473 VanDerWaalsContact OD2-NH2 3.09Å; S471-R473 PolarHBondContact O-N 3.11Å; R473-F498 WeakPolarHBondContact O-CB 3.42Å
474	R	97.4	Very high	94.8	Very high	97 Å²	97	57 Å²	57	37%	0.366	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.1	-179.2	-60.2	-171.4	66.8	74.3	-3.2	111.4	T468 T469 D470 Q482 D486	T468-R474 CarbonylContact C-O 3.58Å; T468-R474 WeakPolarHBondContact CA-O 3.28Å; T468-R474 WeakPolarHBondContact CB-O 3.42Å; T469-R474 HydrophobicContact CG2-CB 3.93Å; T469-R474 PolarHBondContact N-O 3.08Å; T469-R474 PolarHBondContact O-N 2.91Å; D470-R474 HydrophobicContact CB-CG 4.38Å; R474-Q482 VanDerWaalsContact CA-OE1 3.27Å; R474-Q482 HydrophobicContact CB-CG 4.4Å; R474-Q482 VanDerWaalsContact NH2-CG 3.3Å; R474-D486 IonicContact CZ-OD1 3.9Å; R474-D486 IonicContact CZ-OD2 3.94Å; R474-D486 IonicContact NH1-OD1 3.62Å; R474-D486 PolarHBondContact NH1-OD1 3.13Å; R474-D486 VanDerWaalsContact NH1-OD1 3.11Å; R474-D486 IonicContact NH1-OD2 3.88Å; R474-D486 PolarHBondContact NH1-OD2 3.13Å; R474-D486 IonicContact NH2-OD1 2.57Å; R474-D486 IonicContact NH2-OD2 2.94Å; R474-D486 PolarHBondContact NH2-OD2 3.07Å
475	A	96.3	Very high	95.5	Very high	9 Å²	9	48.1 Å²	48.1	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.3	167.8	0	0	0	0	0	110.2	D467 L481 Q482 V499	D467-A475 WeakPolarHBondContact O-CA 3.49Å; A475-L481 HydrophobicContact CB-CD2 4.24Å; A475-L481 HydrophobicContact CB-CG 4.41Å; A475-Q482 HydrophobicContact CB-CB 4.26Å; A475-Q482 WeakPolarHBondContact O-CB 3.34Å; A475-V499 HydrophobicContact CB-CG2 4.19Å
476	V	96.3	Very high	96	Very high	86 Å²	86	47.8 Å²	47.8	52%	0.521	28%	0.275	S	S	.	.			trans	-100.4	-37.9	171.3	179.4	0	0	0	0	109.6	D467 T469	D467-V476 HydrophobicContact CB-CB 4.45Å; D467-V476 PolarHBondContact O-N 3.15Å; T469-V476 HydrophobicContact CG2-CG2 3.67Å
477	T	94.7	Very high	96.3	Very high	45 Å²	45	52.1 Å²	52.1	28%	0.276	30%	0.298	S	S	.	.	S	Bend	trans	-131	153.8	176.7	53.7	0	0	0	0	110.1	V465 I466 D467	V465-T477 CarbonylContact O-C 3.47Å; V465-T477 WeakPolarHBondContact O-CB 3.4Å; V465-T477 PolarHBondContact O-OG1 2.91Å; V465-T477 VanDerWaalsContact O-OG1 3.07Å; I466-T477 WeakPolarHBondContact CA-O 3.37Å; D467-T477 VanDerWaalsContact CB-OG1 3.3Å; D467-T477 WeakPolarHBondContact CB-OG1 3.47Å; D467-T477 PolarHBondContact N-OG1 2.91Å; D467-T477 PolarHBondContact O-N 3.4Å; D467-T477 PolarHBondContact OD2-OG1 2.82Å
478	P	95.4	Very high	96.5	Very high	25 Å²	25	48.9 Å²	48.9	16%	0.162	28%	0.28	C	S	.	.	S	Bend	cis	-66.3	154.8	-12.5	29.5	-34.7	0	0	0	112.1	V465 L481 L534 A535	V465-P478 HydrophobicContact CG1-CB 4.46Å; V465-P478 HydrophobicContact CG1-CG 4.47Å; P478-L481 HydrophobicContact CG-CB 4.09Å; P478-L481 HydrophobicContact CG-CD2 4.2Å; P478-L481 WeakPolarHBondContact O-CB 3.39Å; P478-L481 PolarHBondContact O-N 2.9Å; P478-L534 HydrophobicContact CG-CB 4.19Å; P478-L534 VanDerWaalsContact CG-O 3.31Å; P478-L534 WeakPolarHBondContact CG-O 3.48Å; P478-A535 HydrophobicContact CG-CB 4.15Å
479	A	95.5	Very high	96.7	Very high	93 Å²	93	48.8 Å²	48.8	77%	0.769	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	139.3	178.3	0	0	0	0	0	111	L481	A479-L481 VanDerWaalsContact C-N 3.3Å; A479-L481 PolarHBondContact O-N 2.8Å
480	G	96.5	Very high	96.8	Very high	32 Å²	32	52.2 Å²	52.2	33%	0.33	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-18	-176.6	0	0	0	0	0	114.4	E483 A484	G480-E483 VanDerWaalsContact C-OE2 3.24Å; G480-E483 WeakPolarHBondContact CA-OE2 3.37Å; G480-E483 PolarHBondContact N-OE2 2.83Å; G480-E483 VanDerWaalsContact N-OE2 3.13Å; G480-A484 WeakPolarHBondContact O-CB 3.5Å; G480-A484 PolarHBondContact O-N 3.45Å
481	L	97.5	Very high	97	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.7	-44.5	-179.2	178.9	59.4	0	0	0	111.9	I466 A475 P478 A479 A484 I485 V499 A530 V531 L534	I466-L481 HydrophobicContact CD1-CD2 3.99Å; I466-L481 HydrophobicContact CG1-CD2 4.4Å; A475-L481 HydrophobicContact CB-CD2 4.24Å; A475-L481 HydrophobicContact CB-CG 4.41Å; P478-L481 HydrophobicContact CG-CB 4.09Å; P478-L481 HydrophobicContact CG-CD2 4.2Å; P478-L481 WeakPolarHBondContact O-CB 3.39Å; P478-L481 PolarHBondContact O-N 2.9Å; A479-L481 VanDerWaalsContact C-N 3.3Å; A479-L481 PolarHBondContact O-N 2.8Å; L481-A484 PolarHBondContact O-N 3.36Å; L481-I485 HydrophobicContact CD1-CD1 4.19Å; L481-I485 HydrophobicContact CD1-CG1 4.45Å; L481-I485 HydrophobicContact CG-CD1 4.05Å; L481-I485 VanDerWaalsContact O-CG1 3.29Å; L481-I485 WeakPolarHBondContact O-CG1 3.46Å; L481-I485 PolarHBondContact O-N 3.04Å; L481-V499 HydrophobicContact CD2-CG2 4Å; L481-A530 HydrophobicContact CD1-CB 4.28Å; L481-V531 HydrophobicContact CD1-CG2 4.13Å; L481-L534 HydrophobicContact CB-CD1 4.25Å; L481-L534 HydrophobicContact CD1-CB 4.47Å; L481-L534 HydrophobicContact CD1-CD1 4.08Å
482	Q	98.3	Very high	97.1	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-69.4	-38.1	-179.9	-173.4	58.6	48.4	0	0	111.8	R474 A475 A484 I485 D486	R474-Q482 VanDerWaalsContact CA-OE1 3.27Å; R474-Q482 HydrophobicContact CB-CG 4.4Å; R474-Q482 VanDerWaalsContact NH2-CG 3.3Å; A475-Q482 HydrophobicContact CB-CB 4.26Å; A475-Q482 WeakPolarHBondContact O-CB 3.34Å; Q482-A484 VanDerWaalsContact C-N 3.32Å; Q482-A484 PolarHBondContact O-N 3.2Å; Q482-I485 PolarHBondContact O-N 2.99Å; Q482-D486 PolarHBondContact NE2-OD1 3.02Å; Q482-D486 WeakPolarHBondContact O-CB 3.3Å; Q482-D486 VanDerWaalsContact O-CG 3.25Å; Q482-D486 PolarHBondContact O-N 2.83Å
483	E	98.1	Very high	97.3	Very high	113 Å²	113	61.1 Å²	61.1	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-43.2	174.9	-65.3	79.9	-177.3	0	0	110.9	G480 D486 D487	G480-E483 VanDerWaalsContact C-OE2 3.24Å; G480-E483 WeakPolarHBondContact CA-OE2 3.37Å; G480-E483 PolarHBondContact N-OE2 2.83Å; G480-E483 VanDerWaalsContact N-OE2 3.13Å; E483-D486 PolarHBondContact O-N 2.88Å; E483-D487 PolarHBondContact O-N 3.03Å
484	A	98.3	Very high	97.2	Very high	29 Å²	29	64 Å²	64	24%	0.24	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-47	174	0	0	0	0	0	111.5	G480 L481 Q482 D486 D487 L488 A530 L534	G480-A484 WeakPolarHBondContact O-CB 3.5Å; G480-A484 PolarHBondContact O-N 3.45Å; L481-A484 PolarHBondContact O-N 3.36Å; Q482-A484 VanDerWaalsContact C-N 3.32Å; Q482-A484 PolarHBondContact O-N 3.2Å; A484-D486 PolarHBondContact O-N 3.34Å; A484-D487 PolarHBondContact O-N 2.96Å; A484-L488 VanDerWaalsContact O-CG 3.24Å; A484-L488 WeakPolarHBondContact O-CG 3.18Å; A484-L488 PolarHBondContact O-N 3.39Å; A484-A530 HydrophobicContact CB-CB 4.49Å; A484-L534 HydrophobicContact CB-CD1 4.35Å
485	I	98.3	Very high	97.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.4	-47.6	176.9	-66.5	163.7	0	0	0	110.9	L481 Q482 D487 L488 V489 V499 V527	L481-I485 HydrophobicContact CD1-CD1 4.19Å; L481-I485 HydrophobicContact CD1-CG1 4.45Å; L481-I485 HydrophobicContact CG-CD1 4.05Å; L481-I485 VanDerWaalsContact O-CG1 3.29Å; L481-I485 WeakPolarHBondContact O-CG1 3.46Å; L481-I485 PolarHBondContact O-N 3.04Å; Q482-I485 PolarHBondContact O-N 2.99Å; I485-D487 VanDerWaalsContact C-N 3.25Å; I485-D487 PolarHBondContact O-N 3.37Å; I485-L488 PolarHBondContact O-N 3Å; I485-V489 HydrophobicContact CG2-CG2 4.27Å; I485-V489 VanDerWaalsContact O-CG2 3.32Å; I485-V489 WeakPolarHBondContact O-CG2 3.4Å; I485-V489 PolarHBondContact O-N 3.38Å; I485-V499 HydrophobicContact CD1-CB 4.37Å; I485-V499 HydrophobicContact CD1-CG1 3.77Å; I485-V499 HydrophobicContact CD1-CG2 3.7Å; I485-V527 HydrophobicContact CD1-CG1 4.4Å; I485-V527 HydrophobicContact CG1-CG1 4Å; I485-V527 HydrophobicContact CG1-CG2 4.5Å
486	D	98.4	Very high	97.3	Very high	50 Å²	50	63.1 Å²	63.1	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-60.1	-36.3	-179.9	-70.9	-14.8	0	0	0	111.2	R474 Q482 E483 A484 K490	R474-D486 IonicContact CZ-OD1 3.9Å; R474-D486 IonicContact CZ-OD2 3.94Å; R474-D486 IonicContact NH1-OD1 3.62Å; R474-D486 PolarHBondContact NH1-OD1 3.13Å; R474-D486 VanDerWaalsContact NH1-OD1 3.11Å; R474-D486 IonicContact NH1-OD2 3.88Å; R474-D486 PolarHBondContact NH1-OD2 3.13Å; R474-D486 IonicContact NH2-OD1 2.57Å; R474-D486 IonicContact NH2-OD2 2.94Å; R474-D486 PolarHBondContact NH2-OD2 3.07Å; Q482-D486 PolarHBondContact NE2-OD1 3.02Å; Q482-D486 WeakPolarHBondContact O-CB 3.3Å; Q482-D486 VanDerWaalsContact O-CG 3.25Å; Q482-D486 PolarHBondContact O-N 2.83Å; E483-D486 PolarHBondContact O-N 2.88Å; A484-D486 PolarHBondContact O-N 3.34Å; D486-K490 WeakPolarHBondContact O-CE 3.41Å; D486-K490 VanDerWaalsContact O-CG 3.31Å; D486-K490 WeakPolarHBondContact O-CG 2.87Å; D486-K490 PolarHBondContact O-N 2.73Å
487	D	98.4	Very high	97.4	Very high	93 Å²	93	59.5 Å²	59.5	50%	0.497	31%	0.314	S	S	.	.	H	α-helix	trans	-74.2	-35.8	176.5	-75.2	-18	0	0	0	113.5	E483 A484 I485 K490	E483-D487 PolarHBondContact O-N 3.03Å; A484-D487 PolarHBondContact O-N 2.96Å; I485-D487 VanDerWaalsContact C-N 3.25Å; I485-D487 PolarHBondContact O-N 3.37Å; D487-K490 IonicContact OD1-NZ 3.89Å; D487-K490 PolarHBondContact OD1-NZ 2.75Å
488	L	98.4	Very high	97.6	Very high	26 Å²	26	57.5 Å²	57.5	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-43.4	174.5	-64.7	174.1	0	0	0	111.3	A484 I485 K490 K491 Y492 L523 E526 V527 A530	A484-L488 VanDerWaalsContact O-CG 3.24Å; A484-L488 WeakPolarHBondContact O-CG 3.18Å; A484-L488 PolarHBondContact O-N 3.39Å; I485-L488 PolarHBondContact O-N 3Å; L488-K490 VanDerWaalsContact C-N 3.28Å; L488-K490 PolarHBondContact O-N 3.3Å; L488-K491 WeakPolarHBondContact O-CB 3.47Å; L488-K491 WeakPolarHBondContact O-CG 3.41Å; L488-K491 PolarHBondContact O-N 3.29Å; L488-K491 VanDerWaalsContact O-N 3.14Å; L488-Y492 WeakPolarHBondContact O-CD2 3.4Å; L488-L523 HydrophobicContact CB-CD1 3.92Å; L488-E526 HydrophobicContact CD1-CB 4Å; L488-E526 HydrophobicContact CD2-CB 4.04Å; L488-E526 WeakPolarHBondContact CD2-OE2 3.42Å; L488-V527 HydrophobicContact CB-CG2 4.35Å; L488-V527 HydrophobicContact CD1-CB 4.43Å; L488-V527 HydrophobicContact CD1-CG2 3.71Å; L488-A530 HydrophobicContact CD1-CB 4.35Å
489	V	98.2	Very high	97.6	Very high	29 Å²	29	56.3 Å²	56.3	18%	0.176	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-37.7	179.2	169.5	0	0	0	0	111.8	I485 K491 Y492 A495 L523	I485-V489 HydrophobicContact CG2-CG2 4.27Å; I485-V489 VanDerWaalsContact O-CG2 3.32Å; I485-V489 WeakPolarHBondContact O-CG2 3.4Å; I485-V489 PolarHBondContact O-N 3.38Å; V489-K491 PolarHBondContact O-N 2.97Å; V489-K491 VanDerWaalsContact O-N 3.1Å; V489-Y492 PolarHBondContact O-N 3.19Å; V489-A495 HydrophobicContact CG1-CB 4.16Å; V489-A495 VanDerWaalsContact CG1-O 3.29Å; V489-A495 WeakPolarHBondContact CG1-O 3.49Å; V489-L523 HydrophobicContact CG2-CD1 4.28Å; V489-L523 HydrophobicContact CG2-CD2 4.32Å
490	K	98.1	Very high	97.6	Very high	149 Å²	149	53.1 Å²	53.1	65%	0.648	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.5	179.3	-71.1	166.5	-160.6	160.5	0	114.3	D486 D487 L488 Y492	D486-K490 WeakPolarHBondContact O-CE 3.41Å; D486-K490 VanDerWaalsContact O-CG 3.31Å; D486-K490 WeakPolarHBondContact O-CG 2.87Å; D486-K490 PolarHBondContact O-N 2.73Å; D487-K490 IonicContact OD1-NZ 3.89Å; D487-K490 PolarHBondContact OD1-NZ 2.75Å; L488-K490 VanDerWaalsContact C-N 3.28Å; L488-K490 PolarHBondContact O-N 3.3Å; K490-Y492 VanDerWaalsContact C-N 3.29Å
491	K	97.8	Very high	97.3	Very high	117 Å²	117	52.9 Å²	52.9	51%	0.509	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.8	-179.8	-59.3	176.8	-174.6	169.9	0	113.3	L488 V489 E526	L488-K491 WeakPolarHBondContact O-CB 3.47Å; L488-K491 WeakPolarHBondContact O-CG 3.41Å; L488-K491 PolarHBondContact O-N 3.29Å; L488-K491 VanDerWaalsContact O-N 3.14Å; V489-K491 PolarHBondContact O-N 2.97Å; V489-K491 VanDerWaalsContact O-N 3.1Å; K491-E526 IonicContact NZ-OE1 3.22Å; K491-E526 PolarHBondContact NZ-OE1 3.29Å; K491-E526 IonicContact NZ-OE2 3.41Å; K491-E526 PolarHBondContact NZ-OE2 2.8Å
492	Y	97.4	Very high	96.6	Very high	48 Å²	48	52.9 Å²	52.9	19%	0.188	25%	0.254	C	S	.	.	S	Bend	trans	-122.3	151.3	-169.5	-58.5	-81.5	0	0	0	111.4	L488 V489 K490 A522 L523 E526	L488-Y492 WeakPolarHBondContact O-CD2 3.4Å; V489-Y492 PolarHBondContact O-N 3.19Å; K490-Y492 VanDerWaalsContact C-N 3.29Å; Y492-A522 HydrophobicContact CE1-CB 4.12Å; Y492-A522 VanDerWaalsContact OH-CB 3.32Å; Y492-A522 WeakPolarHBondContact OH-CB 3.39Å; Y492-L523 HydrophobicContact CD2-CB 3.92Å; Y492-L523 HydrophobicContact CD2-CD1 3.95Å; Y492-L523 HydrophobicContact CD2-CD2 4.29Å; Y492-L523 HydrophobicContact CD2-CG 4.27Å; Y492-L523 HydrophobicContact CE2-CB 3.81Å; Y492-L523 HydrophobicContact CE2-CD1 3.96Å; Y492-L523 HydrophobicContact CE2-CG 4.4Å; Y492-E526 PolarHBondContact OH-OE2 2.77Å
493	E	97	Very high	95.4	Very high	138 Å²	138	54.6 Å²	54.6	65%	0.645	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	145.8	178.1	-67.5	-164.6	-179.1	0	0	111.8	A495 D515	E493-A495 PolarHBondContact O-N 3.35Å; E493-D515 HydrophobicContact CB-CB 4.09Å; E493-D515 PolarHBondContact O-N 3.06Å
494	K	95.6	Very high	93.9	Very high	156 Å²	156	52.6 Å²	52.6	68%	0.678	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	30.6	-178	-59.4	-178.2	-178.5	174.3	0	113.2	L451 D515	L451-K494 HydrophobicContact CD1-CB 4.35Å; L451-K494 WeakPolarHBondContact CD1-O 3.4Å; L451-K494 HydrophobicContact CD2-CB 4.08Å; L451-K494 HydrophobicContact CD2-CD 3.99Å; K494-D515 HydrophobicContact CB-CB 4.44Å
495	A	97.5	Very high	92.5	Very high	22 Å²	22	54.8 Å²	54.8	18%	0.182	28%	0.275	C	S	.	.			trans	-91.7	147.1	-168.9	0	0	0	0	0	113	V489 E493 E513 A514 L523	V489-A495 HydrophobicContact CG1-CB 4.16Å; V489-A495 VanDerWaalsContact CG1-O 3.29Å; V489-A495 WeakPolarHBondContact CG1-O 3.49Å; E493-A495 PolarHBondContact O-N 3.35Å; A495-E513 CarbonylContact C-O 3.47Å; A495-E513 WeakPolarHBondContact CA-O 3.3Å; A495-A514 HydrophobicContact CB-CB 4.24Å; A495-L523 HydrophobicContact CB-CD2 3.91Å
496	R	98	Very high	91.3	Very high	66 Å²	66	60.1 Å²	60.1	25%	0.249	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.4	171	-177.6	177.6	61.4	95.6	0.9	109.4	A330 A332 A512 E513	A330-R496 PolarHBondContact O-NH1 2.91Å; A330-R496 PolarHBondContact O-NH2 2.85Å; A332-R496 PolarHBondContact O-NH2 3.26Å; R496-A512 CarbonylContact O-C 3.46Å; R496-A512 VanDerWaalsContact O-CA 3.32Å; R496-A512 WeakPolarHBondContact O-CA 3.38Å; R496-E513 HydrophobicContact CB-CG 3.88Å; R496-E513 IonicContact CZ-OE1 3.83Å; R496-E513 VanDerWaalsContact CZ-OE1 3.31Å; R496-E513 PolarHBondContact N-O 2.7Å; R496-E513 IonicContact NE-OE1 3.55Å; R496-E513 PolarHBondContact NE-OE1 3.01Å; R496-E513 IonicContact NH2-OE1 3.01Å; R496-E513 PolarHBondContact NH2-OE1 3.33Å; R496-E513 IonicContact NH2-OE2 3.93Å; R496-E513 PolarHBondContact NH2-OE2 2.87Å; R496-E513 PolarHBondContact O-N 2.86Å
497	S	98.3	Very high	90.8	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149	173.2	-175.6	0	0	0	0	111	Y511	S497-Y511 WeakPolarHBondContact CA-O 3.26Å; S497-Y511 VanDerWaalsContact CB-O 3.29Å; S497-Y511 WeakPolarHBondContact CB-O 3.42Å; S497-Y511 PolarHBondContact OG-O 3.49Å
498	F	98	Very high	90.5	Very high	3 Å²	3	54 Å²	54	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	164.5	173	72.8	-82.2	0	0	0	110.3	A330 Y331 E472 R473 R500 Y511	A330-F498 HydrophobicContact CB-CD1 4.16Å; A330-F498 HydrophobicContact CB-CD2 4.15Å; A330-F498 HydrophobicContact CB-CE1 3.71Å; A330-F498 HydrophobicContact CB-CE2 3.7Å; A330-F498 HydrophobicContact CB-CG 4.36Å; A330-F498 HydrophobicContact CB-CZ 3.47Å; A330-F498 VanDerWaalsContact CB-CZ 3.47Å; A330-F498 WeakPolarHBondContact O-CE1 3.17Å; Y331-F498 HydrophobicContact CD1-CE1 4.48Å; Y331-F498 AromaticContact CD1-CZ 3.77Å; Y331-F498 HydrophobicContact CD1-CZ 3.77Å; Y331-F498 HydrophobicContact CD2-CZ 4.08Å; Y331-F498 HydrophobicContact CE1-CE2 4.3Å; Y331-F498 AromaticContact CE1-CZ 3.75Å; Y331-F498 HydrophobicContact CE1-CZ 3.75Å; Y331-F498 HydrophobicContact CE2-CE2 4.22Å; Y331-F498 HydrophobicContact CE2-CZ 4.06Å; Y331-F498 AromaticContact CG-CZ 3.93Å; Y331-F498 HydrophobicContact CG-CZ 3.93Å; Y331-F498 AromaticContact CZ-CZ 3.9Å; E472-F498 WeakPolarHBondContact O-CD2 3.43Å; R473-F498 WeakPolarHBondContact O-CB 3.42Å; F498-R500 HydrophobicContact CE2-CG 4.31Å; F498-Y511 AromaticContact CD1-CD1 3.86Å; F498-Y511 HydrophobicContact CD1-CD1 3.86Å; F498-Y511 HydrophobicContact CD1-CG 4.25Å; F498-Y511 VanDerWaalsContact CE1-CB 3.45Å; F498-Y511 AromaticContact CE1-CD1 3.47Å; F498-Y511 HydrophobicContact CE1-CD1 3.47Å; F498-Y511 VanDerWaalsContact CE1-CD1 3.47Å; F498-Y511 HydrophobicContact CE1-CE1 4.38Å; F498-Y511 AromaticContact CE1-CG 3.6Å; F498-Y511 HydrophobicContact CE1-CG 3.6Å; F498-Y511 HydrophobicContact CZ-CG 4.26Å; F498-Y511 PolarHBondContact N-O 2.94Å; F498-Y511 VanDerWaalsContact N-O 3.17Å; F498-Y511 PolarHBondContact O-N 3.18Å
499	V	96.7	Very high	90.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145	-179.3	-54.6	0	0	0	0	110.5	A475 L481 I485 V508 R509 V510 V527 V531	A475-V499 HydrophobicContact CB-CG2 4.19Å; L481-V499 HydrophobicContact CD2-CG2 4Å; I485-V499 HydrophobicContact CD1-CB 4.37Å; I485-V499 HydrophobicContact CD1-CG1 3.77Å; I485-V499 HydrophobicContact CD1-CG2 3.7Å; V499-V508 HydrophobicContact CB-CG1 4.12Å; V499-R509 VanDerWaalsContact CA-O 3.3Å; V499-R509 WeakPolarHBondContact CA-O 3.4Å; V499-V510 HydrophobicContact CG1-CB 4.5Å; V499-V510 HydrophobicContact CG1-CG1 4.4Å; V499-V510 HydrophobicContact CG1-CG2 4Å; V499-V527 HydrophobicContact CG1-CG1 3.55Å; V499-V531 HydrophobicContact CB-CG2 4.15Å; V499-V531 HydrophobicContact CG1-CG2 3.63Å; V499-V531 HydrophobicContact CG2-CG2 4.41Å
500	R	94.1	Very high	90.1	Very high	26 Å²	26	53 Å²	53	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	151.6	174.9	65.1	172	-65.3	-77.8	-6.2	112.8	Y331 T353 T468 E472 F498 V508 R509	Y331-R500 WeakPolarHBondContact OH-CD 3.29Å; Y331-R500 WeakPolarHBondContact OH-CG 3.14Å; T353-R500 PolarHBondContact OG1-NE 3.15Å; T468-R500 HydrophobicContact CG2-CB 4.3Å; E472-R500 HydrophobicContact CB-CB 4.49Å; E472-R500 IonicContact OE1-CZ 2.74Å; E472-R500 VanDerWaalsContact OE1-CZ 3.32Å; E472-R500 IonicContact OE1-NE 3.31Å; E472-R500 PolarHBondContact OE1-NE 3.14Å; E472-R500 IonicContact OE1-NH2 3.21Å; E472-R500 PolarHBondContact OE1-NH2 3.26Å; E472-R500 IonicContact OE2-CZ 2.89Å; E472-R500 IonicContact OE2-NE 2.74Å; E472-R500 PolarHBondContact OE2-NE 3.25Å; E472-R500 IonicContact OE2-NH2 3.39Å; F498-R500 HydrophobicContact CE2-CG 4.31Å; R500-V508 WeakPolarHBondContact O-CA 3.34Å; R500-R509 HydrophobicContact CG-CB 4.43Å; R500-R509 PolarHBondContact N-O 3.49Å; R500-R509 PolarHBondContact O-N 3.11Å
501	P	90.6	Very high	90	Very high	26 Å²	26	46.2 Å²	46.2	17%	0.169	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136	171.3	28	-35	0	0	0	110.8	R463	R463-P501 HydrophobicContact CB-CB 4.13Å
502	S	82.9	Confident	90	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.208	C	C	.	.			trans	-64.9	144.5	169.3	-176.8	0	0	0	0	109.5	R463 E505 V507 R509	R463-S502 VanDerWaalsContact CD-O 3.32Å; R463-S502 WeakPolarHBondContact CD-O 3.39Å; R463-S502 PolarHBondContact NH1-O 3.38Å; S502-E505 WeakPolarHBondContact CB-O 3.28Å; S502-V507 VanDerWaalsContact CB-O 3.26Å; S502-V507 WeakPolarHBondContact CB-O 3.49Å; S502-V507 PolarHBondContact N-O 3.18Å; S502-R509 PolarHBondContact OG-NE 3.12Å; S502-R509 PolarHBondContact OG-NH2 3.31Å
503	G	73.6	Confident	90	Very high	44 Å²	44	38.6 Å²	38.6	45%	0.454	20%	0.201	S	C	.	.	S	Bend	trans	-80.4	-22.8	178.6	0	0	0	0	0	113.7	R463	R463-G503 PolarHBondContact NH1-O 3.43Å
504	T	65.6	Low	90.1	Very high	72 Å²	72	32 Å²	32	44%	0.442	17%	0.17	S	C	.	.	S	Bend	trans	-119.1	-10.8	-167.3	51.2	0	0	0	0	114
505	E	69.2	Low	90.2	Very high	75 Å²	75	27.3 Å²	27.3	35%	0.35	15%	0.152	S	C	.	.	S	Bend	trans	-138.1	148.3	-174.3	-65.1	174.3	97.2	0	0	108.3	K457 R463 S502 V507 R509	K457-E505 IonicContact NZ-OE1 2.91Å; K457-E505 PolarHBondContact NZ-OE1 3.25Å; K457-E505 IonicContact NZ-OE2 2.88Å; K457-E505 PolarHBondContact NZ-OE2 2.86Å; R463-E505 WeakPolarHBondContact CD-O 3.19Å; S502-E505 WeakPolarHBondContact CB-O 3.28Å; E505-V507 HydrophobicContact CB-CG1 4.44Å; E505-V507 HydrophobicContact CB-CG2 3.73Å; E505-V507 PolarHBondContact O-N 3.06Å; E505-R509 IonicContact OE2-CZ 2.57Å; E505-R509 IonicContact OE2-NH2 2.82Å; E505-R509 PolarHBondContact OE2-NH2 3.05Å
506	D	74.4	Confident	90.1	Very high	111 Å²	111	28.7 Å²	28.7	59%	0.594	16%	0.158	S	C	*	.	S	Bend	trans	-80	61.5	173.7	-69.9	-32.7	0	0	0	111.3	R463	R463-D506 IonicContact CZ-OD1 3.11Å; R463-D506 IonicContact NE-OD1 3.97Å; R463-D506 PolarHBondContact NE-OD1 2.79Å
507	V	86.4	Confident	89.9	Confident	14 Å²	14	28.6 Å²	28.6	9%	0.085	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157	179	-56.8	0	0	0	0	109.9	K457 V458 K459 S502 E505	K457-V507 HydrophobicContact CB-CG2 4.49Å; K457-V507 HydrophobicContact CD-CG2 4.36Å; V458-V507 CarbonylContact O-C 3.46Å; V458-V507 VanDerWaalsContact O-CA 3.32Å; V458-V507 WeakPolarHBondContact O-CA 3.43Å; V458-V507 WeakPolarHBondContact O-CB 3.36Å; K459-V507 HydrophobicContact CG-CG1 4.17Å; S502-V507 VanDerWaalsContact CB-O 3.26Å; S502-V507 WeakPolarHBondContact CB-O 3.49Å; S502-V507 PolarHBondContact N-O 3.18Å; E505-V507 HydrophobicContact CB-CG1 4.44Å; E505-V507 HydrophobicContact CB-CG2 3.73Å; E505-V507 PolarHBondContact O-N 3.06Å
508	V	91.8	Very high	89.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.9	168.5	176.9	0	0	0	0	107.9	K457 V458 V460 I466 V499 R500 V531	K457-V508 WeakPolarHBondContact CA-O 3.42Å; V458-V508 PolarHBondContact N-O 3.2Å; V458-V508 PolarHBondContact O-N 3.3Å; V460-V508 HydrophobicContact CG1-CG2 3.84Å; V460-V508 HydrophobicContact CG2-CG2 3.82Å; I466-V508 HydrophobicContact CD1-CB 4.12Å; I466-V508 HydrophobicContact CD1-CG1 3.56Å; I466-V508 HydrophobicContact CD1-CG2 3.47Å; I466-V508 VanDerWaalsContact CD1-CG2 3.47Å; I466-V508 HydrophobicContact CG1-CG2 4.3Å; V499-V508 HydrophobicContact CB-CG1 4.12Å; R500-V508 WeakPolarHBondContact O-CA 3.34Å; V508-V531 HydrophobicContact CB-CG1 4Å; V508-V531 HydrophobicContact CG1-CG1 3.88Å; V508-V531 HydrophobicContact CG2-CG1 4.32Å
509	R	93.1	Very high	89.8	Confident	36 Å²	36	35.9 Å²	35.9	14%	0.136	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.4	174.4	-64	-178.2	-173.6	-86.3	-7.6	108.6	Y331 V499 R500 S502 E505	Y331-R509 VanDerWaalsContact OH-CB 3.25Å; Y331-R509 WeakPolarHBondContact OH-CB 3.25Å; Y331-R509 VanDerWaalsContact OH-CD 3.32Å; Y331-R509 WeakPolarHBondContact OH-CD 3.33Å; V499-R509 VanDerWaalsContact CA-O 3.3Å; V499-R509 WeakPolarHBondContact CA-O 3.4Å; R500-R509 HydrophobicContact CG-CB 4.43Å; R500-R509 PolarHBondContact N-O 3.49Å; R500-R509 PolarHBondContact O-N 3.11Å; S502-R509 PolarHBondContact OG-NE 3.12Å; S502-R509 PolarHBondContact OG-NH2 3.31Å; E505-R509 IonicContact OE2-CZ 2.57Å; E505-R509 IonicContact OE2-NH2 2.82Å; E505-R509 PolarHBondContact OE2-NH2 3.05Å
510	V	95.9	Very high	89.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.9	174.1	178.6	0	0	0	0	107.2	Q455 L456 V458 V499 V527 V531	Q455-V510 CarbonylContact C-O 3.58Å; Q455-V510 WeakPolarHBondContact CA-O 3.4Å; L456-V510 HydrophobicContact CB-CB 4.44Å; L456-V510 PolarHBondContact N-O 2.95Å; L456-V510 PolarHBondContact O-N 3.33Å; V458-V510 HydrophobicContact CG2-CG2 3.86Å; V499-V510 HydrophobicContact CG1-CB 4.5Å; V499-V510 HydrophobicContact CG1-CG1 4.4Å; V499-V510 HydrophobicContact CG1-CG2 4Å; V510-V527 HydrophobicContact CG1-CB 3.88Å; V510-V527 HydrophobicContact CG1-CG1 3.52Å; V510-V527 HydrophobicContact CG2-CG1 4.48Å; V510-V531 HydrophobicContact CG2-CG2 4.11Å
511	Y	96.8	Very high	89.9	Confident	5 Å²	5	35.9 Å²	35.9	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.8	172.9	176.6	-89.8	0	0	0	109.2	Y331 N453 S497 F498 E513	Y331-Y511 AromaticContact CD1-CD2 3.95Å; Y331-Y511 HydrophobicContact CD1-CD2 3.95Å; Y331-Y511 HydrophobicContact CD1-CG 4.31Å; N453-Y511 HydrophobicContact CB-CE2 4.22Å; S497-Y511 WeakPolarHBondContact CA-O 3.26Å; S497-Y511 VanDerWaalsContact CB-O 3.29Å; S497-Y511 WeakPolarHBondContact CB-O 3.42Å; S497-Y511 PolarHBondContact OG-O 3.49Å; F498-Y511 AromaticContact CD1-CD1 3.86Å; F498-Y511 HydrophobicContact CD1-CD1 3.86Å; F498-Y511 HydrophobicContact CD1-CG 4.25Å; F498-Y511 VanDerWaalsContact CE1-CB 3.45Å; F498-Y511 AromaticContact CE1-CD1 3.47Å; F498-Y511 HydrophobicContact CE1-CD1 3.47Å; F498-Y511 VanDerWaalsContact CE1-CD1 3.47Å; F498-Y511 HydrophobicContact CE1-CE1 4.38Å; F498-Y511 AromaticContact CE1-CG 3.6Å; F498-Y511 HydrophobicContact CE1-CG 3.6Å; F498-Y511 HydrophobicContact CZ-CG 4.26Å; F498-Y511 PolarHBondContact N-O 2.94Å; F498-Y511 VanDerWaalsContact N-O 3.17Å; F498-Y511 PolarHBondContact O-N 3.18Å; Y511-E513 HydrophobicContact CE1-CB 4.1Å; Y511-E513 HydrophobicContact CE1-CG 4.09Å; Y511-E513 PolarHBondContact OH-OE2 3.37Å
512	A	97.4	Very high	90.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.3	169.6	0	0	0	0	0	110.8	N453 R454 R496 L523 A524	N453-A512 CarbonylContact C-O 3.56Å; N453-A512 WeakPolarHBondContact CA-O 3.24Å; N453-A512 WeakPolarHBondContact CB-O 3.48Å; R454-A512 PolarHBondContact N-O 2.89Å; R454-A512 PolarHBondContact O-N 2.57Å; R496-A512 CarbonylContact O-C 3.46Å; R496-A512 VanDerWaalsContact O-CA 3.32Å; R496-A512 WeakPolarHBondContact O-CA 3.38Å; A512-L523 HydrophobicContact CB-CB 4.13Å; A512-L523 HydrophobicContact CB-CD2 3.99Å; A512-L523 HydrophobicContact CB-CG 3.83Å; A512-A524 HydrophobicContact CB-CB 3.87Å
513	E	97.9	Very high	90.9	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.7	166.9	64.7	-173.5	-172	0	0	109	G334 L451 P452 N453 A495 R496 Y511	G334-E513 PolarHBondContact N-OE1 2.68Å; G334-E513 PolarHBondContact N-OE2 3.45Å; L451-E513 HydrophobicContact CB-CB 4.17Å; L451-E513 HydrophobicContact CD1-CG 4.18Å; P452-E513 VanDerWaalsContact O-CA 3.24Å; P452-E513 WeakPolarHBondContact O-CA 3.49Å; N453-E513 HydrophobicContact CB-CB 3.93Å; A495-E513 CarbonylContact C-O 3.47Å; A495-E513 WeakPolarHBondContact CA-O 3.3Å; R496-E513 HydrophobicContact CB-CG 3.88Å; R496-E513 IonicContact CZ-OE1 3.83Å; R496-E513 VanDerWaalsContact CZ-OE1 3.31Å; R496-E513 PolarHBondContact N-O 2.7Å; R496-E513 IonicContact NE-OE1 3.55Å; R496-E513 PolarHBondContact NE-OE1 3.01Å; R496-E513 IonicContact NH2-OE1 3.01Å; R496-E513 PolarHBondContact NH2-OE1 3.33Å; R496-E513 IonicContact NH2-OE2 3.93Å; R496-E513 PolarHBondContact NH2-OE2 2.87Å; R496-E513 PolarHBondContact O-N 2.86Å; Y511-E513 HydrophobicContact CE1-CB 4.1Å; Y511-E513 HydrophobicContact CE1-CG 4.09Å; Y511-E513 PolarHBondContact OH-OE2 3.37Å
514	A	98.1	Very high	92	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.			trans	-156.5	-177.8	177.8	0	0	0	0	0	110.9	P452 A495 A520	P452-A514 VanDerWaalsContact CD-O 3.29Å; P452-A514 WeakPolarHBondContact CD-O 3.26Å; P452-A514 PolarHBondContact O-N 3.43Å; A495-A514 HydrophobicContact CB-CB 4.24Å; A514-A520 HydrophobicContact CB-CB 4.1Å
515	D	97.1	Very high	93.5	Very high	56 Å²	56	32 Å²	32	30%	0.299	17%	0.167	S	C	.	.	S	Bend	trans	-66.9	-34.6	178	67.1	-39.6	0	0	0	114.8	E493 K494 S519	E493-D515 HydrophobicContact CB-CB 4.09Å; E493-D515 PolarHBondContact O-N 3.06Å; K494-D515 HydrophobicContact CB-CB 4.44Å; D515-S519 WeakPolarHBondContact OD1-CB 3.41Å; D515-S519 PolarHBondContact OD1-OG 3.48Å
516	T	96.4	Very high	94.9	Very high	51 Å²	51	31.2 Å²	31.2	31%	0.313	16%	0.163	S	C	.	.	S	Bend	trans	-125.2	161.2	175.8	83	0	0	0	0	112.6	P452 E518 S519 A520	P452-T516 VanDerWaalsContact CB-C 3.45Å; T516-E518 VanDerWaalsContact C-N 3.31Å; T516-E518 WeakPolarHBondContact CB-OE2 3.25Å; T516-E518 PolarHBondContact O-N 3.37Å; T516-E518 PolarHBondContact OG1-N 3.46Å; T516-E518 PolarHBondContact OG1-OE2 2.95Å; T516-S519 PolarHBondContact O-N 3.28Å; T516-S519 PolarHBondContact OG1-N 3.17Å; T516-S519 PolarHBondContact OG1-OG 3.45Å; T516-A520 PolarHBondContact O-N 2.87Å
517	Q	93.9	Very high	96	Very high	64 Å²	64	25.9 Å²	25.9	30%	0.299	14%	0.135	S	C	.	.	H	α-helix	trans	-64	-38.9	177.8	-171.3	62.5	55.5	0	0	111.5	P452 S519 A520 D521	P452-Q517 HydrophobicContact CB-CB 4.24Å; Q517-S519 PolarHBondContact O-N 3.05Å; Q517-A520 PolarHBondContact O-N 3.42Å; Q517-D521 PolarHBondContact NE2-OD1 3.09Å; Q517-D521 PolarHBondContact NE2-OD2 3.3Å; Q517-D521 VanDerWaalsContact O-CB 3.31Å; Q517-D521 WeakPolarHBondContact O-CB 3.21Å; Q517-D521 VanDerWaalsContact O-CG 3.29Å; Q517-D521 PolarHBondContact O-N 3.37Å
518	E	96	Very high	96.6	Very high	141 Å²	141	25.3 Å²	25.3	66%	0.659	13%	0.131	S	C	*	.	H	α-helix	trans	-62.5	-43	176.8	-58.7	76.9	-168.3	0	0	111.2	T516 A522	T516-E518 VanDerWaalsContact C-N 3.31Å; T516-E518 WeakPolarHBondContact CB-OE2 3.25Å; T516-E518 PolarHBondContact O-N 3.37Å; T516-E518 PolarHBondContact OG1-N 3.46Å; T516-E518 PolarHBondContact OG1-OE2 2.95Å; E518-A522 VanDerWaalsContact O-CB 3.22Å; E518-A522 WeakPolarHBondContact O-CB 3.45Å; E518-A522 PolarHBondContact O-N 3.28Å
519	S	97.4	Very high	96.8	Very high	24 Å²	24	27.9 Å²	27.9	17%	0.168	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-45.2	175.6	-69.7	0	0	0	0	111.8	D515 T516 Q517 L523	D515-S519 WeakPolarHBondContact OD1-CB 3.41Å; D515-S519 PolarHBondContact OD1-OG 3.48Å; T516-S519 PolarHBondContact O-N 3.28Å; T516-S519 PolarHBondContact OG1-N 3.17Å; T516-S519 PolarHBondContact OG1-OG 3.45Å; Q517-S519 PolarHBondContact O-N 3.05Å; S519-L523 VanDerWaalsContact O-CB 3.26Å; S519-L523 WeakPolarHBondContact O-CB 3.22Å; S519-L523 PolarHBondContact O-N 3.2Å
520	A	96.6	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-41.4	-179.7	0	0	0	0	0	111.9	P452 A514 T516 Q517 A524	P452-A520 HydrophobicContact CB-CB 4.31Å; P452-A520 WeakPolarHBondContact O-CB 3.23Å; A514-A520 HydrophobicContact CB-CB 4.1Å; T516-A520 PolarHBondContact O-N 2.87Å; Q517-A520 PolarHBondContact O-N 3.42Å; A520-A524 WeakPolarHBondContact O-CB 3.21Å; A520-A524 PolarHBondContact O-N 3.1Å
521	D	95.8	Very high	97.1	Very high	27 Å²	27	27 Å²	27	14%	0.144	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-42.7	178.2	-75.6	-8.8	0	0	0	111.8	R454 Q517 H525 L545	R454-D521 IonicContact CZ-OD1 2.97Å; R454-D521 VanDerWaalsContact CZ-OD1 3.28Å; R454-D521 IonicContact CZ-OD2 2.85Å; R454-D521 IonicContact NE-OD1 3.25Å; R454-D521 PolarHBondContact NE-OD1 2.87Å; R454-D521 IonicContact NE-OD2 3.32Å; R454-D521 IonicContact NH2-OD1 3.59Å; R454-D521 PolarHBondContact NH2-OD1 3.03Å; R454-D521 IonicContact NH2-OD2 2.83Å; R454-D521 PolarHBondContact NH2-OD2 3.33Å; Q517-D521 PolarHBondContact NE2-OD1 3.09Å; Q517-D521 PolarHBondContact NE2-OD2 3.3Å; Q517-D521 VanDerWaalsContact O-CB 3.31Å; Q517-D521 WeakPolarHBondContact O-CB 3.21Å; Q517-D521 VanDerWaalsContact O-CG 3.29Å; Q517-D521 PolarHBondContact O-N 3.37Å; D521-H525 WeakPolarHBondContact O-CB 3.14Å; D521-H525 PolarHBondContact O-N 3.37Å; D521-L545 HydrophobicContact CB-CB 4.2Å; D521-L545 HydrophobicContact CB-CD1 3.9Å
522	A	97.3	Very high	97	Very high	35 Å²	35	29.4 Å²	29.4	29%	0.289	16%	0.155	S	C	.	.	H	α-helix	trans	-63.4	-47.3	174.9	0	0	0	0	0	111.4	Y492 E518 A524 H525 E526	Y492-A522 HydrophobicContact CE1-CB 4.12Å; Y492-A522 VanDerWaalsContact OH-CB 3.32Å; Y492-A522 WeakPolarHBondContact OH-CB 3.39Å; E518-A522 VanDerWaalsContact O-CB 3.22Å; E518-A522 WeakPolarHBondContact O-CB 3.45Å; E518-A522 PolarHBondContact O-N 3.28Å; A522-A524 PolarHBondContact O-N 2.99Å; A522-H525 PolarHBondContact O-N 3.19Å; A522-E526 WeakPolarHBondContact O-CG 3.43Å; A522-E526 PolarHBondContact O-N 3.4Å
523	L	98.1	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-44.6	177.8	178.8	58.4	0	0	0	111.8	L488 V489 Y492 A495 A512 S519 H525 E526 V527	L488-L523 HydrophobicContact CB-CD1 3.92Å; V489-L523 HydrophobicContact CG2-CD1 4.28Å; V489-L523 HydrophobicContact CG2-CD2 4.32Å; Y492-L523 HydrophobicContact CD2-CB 3.92Å; Y492-L523 HydrophobicContact CD2-CD1 3.95Å; Y492-L523 HydrophobicContact CD2-CD2 4.29Å; Y492-L523 HydrophobicContact CD2-CG 4.27Å; Y492-L523 HydrophobicContact CE2-CB 3.81Å; Y492-L523 HydrophobicContact CE2-CD1 3.96Å; Y492-L523 HydrophobicContact CE2-CG 4.4Å; A495-L523 HydrophobicContact CB-CD2 3.91Å; A512-L523 HydrophobicContact CB-CB 4.13Å; A512-L523 HydrophobicContact CB-CD2 3.99Å; A512-L523 HydrophobicContact CB-CG 3.83Å; S519-L523 VanDerWaalsContact O-CB 3.26Å; S519-L523 WeakPolarHBondContact O-CB 3.22Å; S519-L523 PolarHBondContact O-N 3.2Å; L523-H525 VanDerWaalsContact C-N 3.29Å; L523-H525 PolarHBondContact O-N 2.95Å; L523-E526 PolarHBondContact O-N 3.48Å; L523-V527 HydrophobicContact CD1-CG2 3.89Å; L523-V527 HydrophobicContact CG-CG2 4.48Å; L523-V527 WeakPolarHBondContact O-CB 3.5Å; L523-V527 VanDerWaalsContact O-CG2 3.3Å; L523-V527 WeakPolarHBondContact O-CG2 3.42Å; L523-V527 PolarHBondContact O-N 3.29Å
524	A	97.2	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-40.4	176.5	0	0	0	0	0	112	R454 L456 A512 A520 A522 S528	R454-A524 HydrophobicContact CB-CB 3.87Å; R454-A524 HydrophobicContact CG-CB 3.81Å; L456-A524 HydrophobicContact CD1-CB 3.89Å; L456-A524 HydrophobicContact CG-CB 4.27Å; A512-A524 HydrophobicContact CB-CB 3.87Å; A520-A524 WeakPolarHBondContact O-CB 3.21Å; A520-A524 PolarHBondContact O-N 3.1Å; A522-A524 PolarHBondContact O-N 2.99Å; A524-S528 VanDerWaalsContact O-CB 3.3Å; A524-S528 WeakPolarHBondContact O-CB 3.36Å; A524-S528 PolarHBondContact O-N 3.46Å; A524-S528 PolarHBondContact O-OG 3.13Å
525	H	97.4	Very high	96.6	Very high	28 Å²	28	36 Å²	36	13%	0.13	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-49.9	177.1	178.1	-122.3	0	0	0	112	D521 A522 L523 V527 S528 L529 P542 K543	D521-H525 WeakPolarHBondContact O-CB 3.14Å; D521-H525 PolarHBondContact O-N 3.37Å; A522-H525 PolarHBondContact O-N 3.19Å; L523-H525 VanDerWaalsContact C-N 3.29Å; L523-H525 PolarHBondContact O-N 2.95Å; H525-V527 VanDerWaalsContact C-N 3.33Å; H525-V527 PolarHBondContact O-N 3.48Å; H525-S528 WeakPolarHBondContact O-CB 3.41Å; H525-S528 PolarHBondContact O-N 3.46Å; H525-S528 VanDerWaalsContact O-N 3.08Å; H525-L529 PolarHBondContact O-N 3.22Å; H525-P542 PolarHBondContact NE2-O 3.23Å; H525-K543 PolarHBondContact CD2-O 3.43Å; H525-K543 VanDerWaalsContact CD2-O 3.23Å; H525-K543 VanDerWaalsContact NE2-C 3.34Å
526	E	97.9	Very high	96.3	Very high	57 Å²	57	35 Å²	35	27%	0.266	21%	0.207	S	C	.	.	H	α-helix	trans	-59.3	-43.1	178.9	-70.2	-169.4	144.8	0	0	111.8	L488 K491 Y492 A522 L523 S528 L529 A530	L488-E526 HydrophobicContact CD1-CB 4Å; L488-E526 HydrophobicContact CD2-CB 4.04Å; L488-E526 WeakPolarHBondContact CD2-OE2 3.42Å; K491-E526 IonicContact NZ-OE1 3.22Å; K491-E526 PolarHBondContact NZ-OE1 3.29Å; K491-E526 IonicContact NZ-OE2 3.41Å; K491-E526 PolarHBondContact NZ-OE2 2.8Å; Y492-E526 PolarHBondContact OH-OE2 2.77Å; A522-E526 WeakPolarHBondContact O-CG 3.43Å; A522-E526 PolarHBondContact O-N 3.4Å; L523-E526 PolarHBondContact O-N 3.48Å; E526-S528 VanDerWaalsContact C-N 3.34Å; E526-L529 PolarHBondContact O-N 2.91Å; E526-A530 PolarHBondContact O-N 3.31Å
527	V	97.9	Very high	96	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-37	176.2	173	0	0	0	0	111.1	I485 L488 V499 V510 L523 H525 L529 A530 V531	I485-V527 HydrophobicContact CD1-CG1 4.4Å; I485-V527 HydrophobicContact CG1-CG1 4Å; I485-V527 HydrophobicContact CG1-CG2 4.5Å; L488-V527 HydrophobicContact CB-CG2 4.35Å; L488-V527 HydrophobicContact CD1-CB 4.43Å; L488-V527 HydrophobicContact CD1-CG2 3.71Å; V499-V527 HydrophobicContact CG1-CG1 3.55Å; V510-V527 HydrophobicContact CG1-CB 3.88Å; V510-V527 HydrophobicContact CG1-CG1 3.52Å; V510-V527 HydrophobicContact CG2-CG1 4.48Å; L523-V527 HydrophobicContact CD1-CG2 3.89Å; L523-V527 HydrophobicContact CG-CG2 4.48Å; L523-V527 WeakPolarHBondContact O-CB 3.5Å; L523-V527 VanDerWaalsContact O-CG2 3.3Å; L523-V527 WeakPolarHBondContact O-CG2 3.42Å; L523-V527 PolarHBondContact O-N 3.29Å; H525-V527 VanDerWaalsContact C-N 3.33Å; H525-V527 PolarHBondContact O-N 3.48Å; V527-L529 VanDerWaalsContact C-N 3.31Å; V527-L529 PolarHBondContact O-N 2.78Å; V527-A530 WeakPolarHBondContact O-CB 3.38Å; V527-A530 PolarHBondContact O-N 2.99Å; V527-V531 WeakPolarHBondContact O-CG2 3.35Å; V527-V531 PolarHBondContact O-N 2.89Å
528	S	97.6	Very high	95.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-38.6	175.2	-63.1	0	0	0	0	112.2	A524 H525 E526 V531 Y532	A524-S528 VanDerWaalsContact O-CB 3.3Å; A524-S528 WeakPolarHBondContact O-CB 3.36Å; A524-S528 PolarHBondContact O-N 3.46Å; A524-S528 PolarHBondContact O-OG 3.13Å; H525-S528 WeakPolarHBondContact O-CB 3.41Å; H525-S528 PolarHBondContact O-N 3.46Å; H525-S528 VanDerWaalsContact O-N 3.08Å; E526-S528 VanDerWaalsContact C-N 3.34Å; S528-V531 PolarHBondContact O-N 2.97Å; S528-Y532 WeakPolarHBondContact O-CB 3.32Å; S528-Y532 PolarHBondContact O-N 3.26Å
529	L	97.6	Very high	95.7	Very high	54 Å²	54	29.2 Å²	29.2	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-64.7	-42	173.2	-68.9	175.5	0	0	0	111.8	H525 E526 V527 V531 Y532 G533 E541 P542	H525-L529 PolarHBondContact O-N 3.22Å; E526-L529 PolarHBondContact O-N 2.91Å; V527-L529 VanDerWaalsContact C-N 3.31Å; V527-L529 PolarHBondContact O-N 2.78Å; L529-V531 VanDerWaalsContact C-N 3.35Å; L529-V531 PolarHBondContact O-N 3.27Å; L529-Y532 PolarHBondContact O-N 3.18Å; L529-G533 PolarHBondContact O-N 3.2Å; L529-E541 HydrophobicContact CD2-CG 3.64Å; L529-E541 WeakPolarHBondContact CD2-OE1 3.38Å; L529-P542 HydrophobicContact CD2-CB 4.22Å; L529-P542 HydrophobicContact CD2-CG 4.44Å
530	A	97.3	Very high	95.3	Very high	19 Å²	19	35 Å²	35	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-43.7	175.6	0	0	0	0	0	111.7	L481 A484 L488 E526 V527 G533 L534	L481-A530 HydrophobicContact CD1-CB 4.28Å; A484-A530 HydrophobicContact CB-CB 4.49Å; L488-A530 HydrophobicContact CD1-CB 4.35Å; E526-A530 PolarHBondContact O-N 3.31Å; V527-A530 WeakPolarHBondContact O-CB 3.38Å; V527-A530 PolarHBondContact O-N 2.99Å; A530-G533 PolarHBondContact O-N 3.4Å; A530-L534 VanDerWaalsContact O-CB 3.28Å; A530-L534 WeakPolarHBondContact O-CB 3.49Å; A530-L534 WeakPolarHBondContact O-CG 3.49Å; A530-L534 PolarHBondContact O-N 3.34Å
531	V	96.4	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-47.6	173.8	173.5	0	0	0	0	111	V458 V460 I466 L481 V499 V508 V510 V527 S528 L529 G533 A535	V458-V531 HydrophobicContact CB-CG1 3.98Å; V458-V531 HydrophobicContact CG1-CB 4.45Å; V458-V531 HydrophobicContact CG1-CG1 3.89Å; V458-V531 HydrophobicContact CG2-CB 4.37Å; V458-V531 HydrophobicContact CG2-CG1 4.27Å; V460-V531 HydrophobicContact CG1-CG1 4.44Å; I466-V531 HydrophobicContact CD1-CG1 4.2Å; L481-V531 HydrophobicContact CD1-CG2 4.13Å; V499-V531 HydrophobicContact CB-CG2 4.15Å; V499-V531 HydrophobicContact CG1-CG2 3.63Å; V499-V531 HydrophobicContact CG2-CG2 4.41Å; V508-V531 HydrophobicContact CB-CG1 4Å; V508-V531 HydrophobicContact CG1-CG1 3.88Å; V508-V531 HydrophobicContact CG2-CG1 4.32Å; V510-V531 HydrophobicContact CG2-CG2 4.11Å; V527-V531 WeakPolarHBondContact O-CG2 3.35Å; V527-V531 PolarHBondContact O-N 2.89Å; S528-V531 PolarHBondContact O-N 2.97Å; L529-V531 VanDerWaalsContact C-N 3.35Å; L529-V531 PolarHBondContact O-N 3.27Å; V531-G533 VanDerWaalsContact C-N 3.33Å; V531-G533 PolarHBondContact O-N 3.48Å; V531-A535 HydrophobicContact CG1-CB 4.27Å; V531-A535 WeakPolarHBondContact O-CA 3.12Å; V531-A535 VanDerWaalsContact O-CB 3.24Å; V531-A535 WeakPolarHBondContact O-CB 3.34Å; V531-A535 PolarHBondContact O-N 3.1Å
532	Y	96.2	Very high	94.8	Very high	55 Å²	55	40.7 Å²	40.7	22%	0.216	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-44.3	-179.5	-172.1	-84.2	0	0	0	111.5	V458 S528 L529 G537 G539 E541 P542	V458-Y532 HydrophobicContact CG1-CD2 4.21Å; S528-Y532 WeakPolarHBondContact O-CB 3.32Å; S528-Y532 PolarHBondContact O-N 3.26Å; L529-Y532 PolarHBondContact O-N 3.18Å; Y532-G537 WeakPolarHBondContact O-CA 3.38Å; Y532-G537 PolarHBondContact O-N 3.46Å; Y532-G539 PolarHBondContact OH-O 3.07Å; Y532-E541 HydrophobicContact CD1-CG 4.38Å; Y532-E541 HydrophobicContact CE1-CB 4.48Å; Y532-E541 HydrophobicContact CE1-CG 4.44Å; Y532-P542 HydrophobicContact CD2-CG 4.38Å
533	G	95.8	Very high	94.4	Very high	61 Å²	61	46.5 Å²	46.5	63%	0.629	28%	0.276	S	S	*	.	H	α-helix	trans	-72.1	-42	179.9	0	0	0	0	0	114.3	L529 A530 V531	L529-G533 PolarHBondContact O-N 3.2Å; A530-G533 PolarHBondContact O-N 3.4Å; V531-G533 VanDerWaalsContact C-N 3.33Å; V531-G533 PolarHBondContact O-N 3.48Å
534	L	94.9	Very high	93.7	Very high	82 Å²	82	49.8 Å²	49.8	43%	0.429	30%	0.298	S	S	.	.	H	α-helix	trans	-92.5	-27.1	-171.6	-63.6	172.5	0	0	0	113.8	P478 L481 A484 A530	P478-L534 HydrophobicContact CG-CB 4.19Å; P478-L534 VanDerWaalsContact CG-O 3.31Å; P478-L534 WeakPolarHBondContact CG-O 3.48Å; L481-L534 HydrophobicContact CB-CD1 4.25Å; L481-L534 HydrophobicContact CD1-CB 4.47Å; L481-L534 HydrophobicContact CD1-CD1 4.08Å; A484-L534 HydrophobicContact CB-CD1 4.35Å; A530-L534 VanDerWaalsContact O-CB 3.28Å; A530-L534 WeakPolarHBondContact O-CB 3.49Å; A530-L534 WeakPolarHBondContact O-CG 3.49Å; A530-L534 PolarHBondContact O-N 3.34Å
535	A	92.9	Very high	92.7	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	19.3	-174.3	0	0	0	0	0	114.1	I466 P478 V531	I466-A535 HydrophobicContact CD1-CB 3.86Å; I466-A535 HydrophobicContact CG1-CB 3.92Å; P478-A535 HydrophobicContact CG-CB 4.15Å; V531-A535 HydrophobicContact CG1-CB 4.27Å; V531-A535 WeakPolarHBondContact O-CA 3.12Å; V531-A535 VanDerWaalsContact O-CB 3.24Å; V531-A535 WeakPolarHBondContact O-CB 3.34Å; V531-A535 PolarHBondContact O-N 3.1Å
536	G	91.4	Very high	90.8	Very high	34 Å²	34	63.2 Å²	63.2	35%	0.351	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	50.4	176.2	0	0	0	0	0	113	V460 S461	V460-G536 WeakPolarHBondContact CA-O 3.4Å; S461-G536 PolarHBondContact N-O 3.35Å; S461-G536 PolarHBondContact OG-O 3.49Å
537	G	90.7	Very high	90.5	Very high	17 Å²	17	63.5 Å²	63.5	18%	0.175	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-55.8	143.8	174.2	0	0	0	0	0	112.7	K459 Y532	K459-G537 WeakPolarHBondContact O-CA 3.33Å; Y532-G537 WeakPolarHBondContact O-CA 3.38Å; Y532-G537 PolarHBondContact O-N 3.46Å
538	V	92	Very high	90.1	Very high	61 Å²	61	66.8 Å²	66.8	37%	0.37	39%	0.386	S	S	.	.			trans	-134.1	153.3	179.5	-62.8	0	0	0	0	111.7	K459	K459-V538 HydrophobicContact CB-CG2 4.1Å; K459-V538 WeakPolarHBondContact CB-O 3.42Å; K459-V538 PolarHBondContact O-N 2.87Å
539	G	91	Very high	89.7	Confident	56 Å²	56	70.5 Å²	70.5	58%	0.577	41%	0.407	S	S	*	.	S	Bend	trans	78.9	-151.8	-176.4	0	0	0	0	0	111.8	Y532 E541	Y532-G539 PolarHBondContact OH-O 3.07Å; G539-E541 PolarHBondContact O-N 2.74Å
540	D	89.2	Confident	89.2	Confident	145 Å²	145	71.5 Å²	71.5	78%	0.775	41%	0.414	S	S	*	.	S	Bend	trans	-66.1	133.8	-178.5	-64.4	-27.6	0	0	0	111.3
541	E	91.2	Very high	88.7	Confident	121 Å²	121	74.8 Å²	74.8	57%	0.565	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-61.2	141.5	172.8	-170.2	173.7	-163.9	0	0	110.5	L529 Y532 G539 K543	L529-E541 HydrophobicContact CD2-CG 3.64Å; L529-E541 WeakPolarHBondContact CD2-OE1 3.38Å; Y532-E541 HydrophobicContact CD1-CG 4.38Å; Y532-E541 HydrophobicContact CE1-CB 4.48Å; Y532-E541 HydrophobicContact CE1-CG 4.44Å; G539-E541 PolarHBondContact O-N 2.74Å; E541-K543 PolarHBondContact O-N 2.87Å
542	P	91.8	Very high	88.2	Confident	27 Å²	27	79.7 Å²	79.7	18%	0.175	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-52.4	124.9	175.8	-28.1	35	0	0	0	112.1	V458 H525 L529 Y532	V458-P542 HydrophobicContact CG2-CG 4.41Å; H525-P542 PolarHBondContact NE2-O 3.23Å; L529-P542 HydrophobicContact CD2-CB 4.22Å; L529-P542 HydrophobicContact CD2-CG 4.44Å; Y532-P542 HydrophobicContact CD2-CG 4.38Å
543	K	88.1	Confident	87.6	Confident	156 Å²	156	81.5 Å²	81.5	68%	0.678	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-93.4	152	178.4	-65.9	-177	-177.9	175.1	0	111	H525 E541	H525-K543 PolarHBondContact CD2-O 3.43Å; H525-K543 VanDerWaalsContact CD2-O 3.23Å; H525-K543 VanDerWaalsContact NE2-C 3.34Å; E541-K543 PolarHBondContact O-N 2.87Å
544	P	83.6	Confident	87	Confident	70 Å²	70	83.1 Å²	83.1	46%	0.455	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-56	145.1	170.4	-20.5	31.1	0	0	0	110.9
545	L	76.1	Confident	86.3	Confident	65 Å²	65	83.2 Å²	83.2	34%	0.34	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-80.7	128.4	169.5	-62.8	164.8	0	0	0	107.3	R454 L456 D521	R454-L545 HydrophobicContact CG-CD1 3.61Å; L456-L545 HydrophobicContact CD1-CD1 4.23Å; L456-L545 HydrophobicContact CD2-CD1 4.22Å; L456-L545 HydrophobicContact CD2-CD2 4.2Å; D521-L545 HydrophobicContact CB-CB 4.2Å; D521-L545 HydrophobicContact CB-CD1 3.9Å
546	H	57.9	Low	85.7	Confident	244 Å²	244	90.5 Å²	90.5	100%	1.13	51%	0.508	S	S	*	.			trans	-109.2	0	-180	-72.5	-47	0	0	0	110.8

Retrieved 546 of 546 residues in 1211.7 ms (Link to these results)

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