A0A087XN29_POEFO Loading...

tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A

Catalytic subunit of tRNA (adenine-N(1)-)-methyltransferase, which catalyzes the formation of N(1)-methyladenine at position 58 (m1A58) in initiator methionyl-tRNA. Catalytic subunit of mRNA N(1)-methyltransferase complex, which mediates methylation of adenosine residues at the N(1) position of a small subset of mRNAs: N(1) methylation takes place in tRNA T-loop-like structures of mRNAs and is only present at low stoichiometries.

AlphaFold DB , UniProt , Accession A0A087XN29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.3	Low	90.8	Very high	21 Å²	21	68.9 Å²	68.9	10%	0.103	33%	0.334	C	S	.	.				0	155.6	0	172.1	-119.3	-77.6	0	0	108.9	D14 Y54 P71 R152	M1-D14 WeakPolarHBondContact CA-OD1 3.31Å; M1-D14 HydrophobicContact CB-CB 4.19Å; M1-D14 WeakPolarHBondContact CB-OD1 3.42Å; M1-D14 WeakPolarHBondContact CB-OD2 3.29Å; M1-D14 HydrophobicContact CE-CB 3.77Å; M1-D14 PolarHBondContact N-OD1 3.35Å; M1-Y54 HydrophobicContact CE-CE1 3.89Å; M1-Y54 HydrophobicContact CE-CE2 3.6Å; M1-Y54 WeakPolarHBondContact CE-OH 3.39Å; M1-P71 HydrophobicContact CE-CG 3.76Å; M1-P71 WeakPolarHBondContact SD-CD 3.33Å; M1-P71 HydrophobicContact SD-CG 3.11Å; M1-P71 WeakPolarHBondContact SD-CG 3.32Å; M1-R152 VanDerWaalsContact N-NH1 3.14Å; M1-R152 WeakPolarHBondContact O-CD 3.28Å
2	S	80.3	Confident	91.2	Very high	18 Å²	18	69.4 Å²	69.4	13%	0.126	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-118.3	153.8	178.7	75	0	0	0	0	110.8	I4 E5	S2-I4 PolarHBondContact O-N 3.22Å; S2-I4 WeakPolarHBondContact OG-CG1 3.05Å; S2-I4 PolarHBondContact OG-N 3.44Å; S2-E5 VanDerWaalsContact O-O 3.07Å; S2-E5 PolarHBondContact OG-N 3.17Å; S2-E5 VanDerWaalsContact OG-N 3.1Å
3	F	92.6	Very high	91.4	Very high	13 Å²	13	65.7 Å²	65.7	6%	0.057	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.1	170.8	-88.5	-105.4	0	0	0	113.5	P71 P73 W76 H119 H151 V153	F3-P71 HydrophobicContact CD1-CB 4.43Å; F3-P71 HydrophobicContact CE1-CB 3.86Å; F3-P71 HydrophobicContact CE2-CB 4Å; F3-P71 HydrophobicContact CE2-CG 4.3Å; F3-P71 HydrophobicContact CZ-CB 3.64Å; F3-P71 HydrophobicContact CZ-CG 4.42Å; F3-P73 HydrophobicContact CD1-CG 4.41Å; F3-W76 HydrophobicContact CE1-CB 3.53Å; F3-W76 AromaticContact CE1-CG 3.95Å; F3-W76 HydrophobicContact CE1-CG 3.95Å; F3-W76 HydrophobicContact CZ-CB 3.94Å; F3-W76 HydrophobicContact CZ-CD2 4.14Å; F3-W76 HydrophobicContact CZ-CE3 4.18Å; F3-W76 HydrophobicContact CZ-CG 4.04Å; F3-H119 AromaticContact CD1-CD2 3.94Å; F3-H151 HydrophobicContact CD2-CB 3.73Å; F3-H151 AromaticContact CD2-CG 3.91Å; F3-H151 HydrophobicContact CE2-CB 3.88Å; F3-H151 AromaticContact CE2-CD2 3.91Å; F3-H151 AromaticContact CE2-CG 3.52Å; F3-H151 AromaticContact CE2-ND1 3.62Å; F3-V153 HydrophobicContact CB-CG1 4.22Å
4	I	94.1	Very high	91.7	Very high	43 Å²	43	61.1 Å²	61.1	22%	0.221	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-14.6	-172.7	63	172.6	0	0	0	112.8	S2 A126 V153 L156	S2-I4 PolarHBondContact O-N 3.22Å; S2-I4 WeakPolarHBondContact OG-CG1 3.05Å; S2-I4 PolarHBondContact OG-N 3.44Å; I4-A126 HydrophobicContact CB-CB 4.03Å; I4-A126 HydrophobicContact CD1-CB 4.27Å; I4-A126 HydrophobicContact CG2-CB 3.88Å; I4-V153 HydrophobicContact CG2-CG1 4.06Å; I4-L156 HydrophobicContact CD1-CD1 3.93Å; I4-L156 HydrophobicContact CG2-CD1 4.33Å
5	E	93.6	Very high	91.9	Very high	138 Å²	138	57.7 Å²	57.7	65%	0.645	29%	0.291	S	S	*	.	B	Isolated β-bridge	trans	-138.3	144.5	178.7	-69.1	179.8	172.6	0	0	111.2	S2 H70	S2-E5 VanDerWaalsContact O-O 3.07Å; S2-E5 PolarHBondContact OG-N 3.17Å; S2-E5 VanDerWaalsContact OG-N 3.1Å; E5-H70 PolarHBondContact O-CE1 3.44Å
6	Y	95.1	Very high	92.1	Very high	189 Å²	189	54.1 Å²	54.1	74%	0.741	27%	0.273	S	S	*	.			trans	-81.4	134.7	177.3	-76.4	-70.7	0	0	0	112.2	H70	Y6-H70 HydrophobicContact CD1-CB 4.31Å; Y6-H70 AromaticContact CD1-CD2 3.95Å; Y6-H70 AromaticContact CD1-CE1 3.81Å; Y6-H70 AromaticContact CD1-CG 3.7Å; Y6-H70 AromaticContact CD1-ND1 3.61Å; Y6-H70 HydrophobicContact CE1-CB 4.38Å; Y6-H70 AromaticContact CE1-ND1 3.82Å
7	S	92.8	Very high	92.3	Very high	35 Å²	35	50.9 Å²	50.9	25%	0.245	26%	0.257	C	S	.	.			trans	-108	147.1	164.9	179.6	0	0	0	0	111.1	L9 Y54 H70	S7-L9 PolarHBondContact OG-N 2.88Å; S7-L9 PolarHBondContact OG-O 2.89Å; S7-Y54 WeakPolarHBondContact O-CD2 3.42Å; S7-H70 PolarHBondContact N-NE2 3.31Å; S7-H70 PolarHBondContact O-CD2 2.92Å
8	N	93.8	Very high	92.5	Very high	123 Å²	123	48.2 Å²	48.2	66%	0.658	24%	0.243	S	C	*	.	S	Bend	trans	-79.6	-36.1	173.9	-77.5	-35.1	0	0	0	112.9	R53 Y54	N8-R53 VanDerWaalsContact O-CA 3.27Å; N8-R53 WeakPolarHBondContact O-CA 3.34Å; N8-Y54 PolarHBondContact O-N 3.04Å; N8-Y54 VanDerWaalsContact O-N 3.11Å
9	L	96.1	Very high	92.6	Very high	77 Å²	77	48.7 Å²	48.7	40%	0.403	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-115.6	143.3	-171.6	-59.1	179.1	0	0	0	110.7	S7 Q52 R53 Y54	S7-L9 PolarHBondContact OG-N 2.88Å; S7-L9 PolarHBondContact OG-O 2.89Å; L9-Q52 WeakPolarHBondContact CA-O 3.26Å; L9-R53 HydrophobicContact CD2-CG 3.66Å; L9-Y54 WeakPolarHBondContact O-CE2 3.41Å
10	I	96.7	Very high	92.3	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.237	C	C	.	.			trans	-74.9	128.1	172.1	-61.6	154.4	0	0	0	108.8	V30 L49 G51 Q52 Y54 V68	I10-V30 HydrophobicContact CG2-CB 4.45Å; I10-V30 HydrophobicContact CG2-CG1 4.05Å; I10-V30 HydrophobicContact CG2-CG2 3.93Å; I10-L49 WeakPolarHBondContact CB-O 3.22Å; I10-L49 WeakPolarHBondContact CD1-O 3.29Å; I10-L49 HydrophobicContact CG2-CB 4.2Å; I10-G51 PolarHBondContact O-N 2.91Å; I10-Q52 HydrophobicContact CD1-CB 4.14Å; I10-Q52 PolarHBondContact N-O 3.4Å; I10-Y54 HydrophobicContact CB-CE2 4.25Å; I10-Y54 HydrophobicContact CD1-CD1 4.4Å; I10-Y54 HydrophobicContact CD1-CE1 4.28Å; I10-Y54 HydrophobicContact CG1-CD1 3.83Å; I10-Y54 HydrophobicContact CG1-CD2 4.07Å; I10-Y54 HydrophobicContact CG1-CE1 3.44Å; I10-Y54 VanDerWaalsContact CG1-CE1 3.44Å; I10-Y54 HydrophobicContact CG1-CE2 3.67Å; I10-Y54 HydrophobicContact CG1-CG 4.12Å; I10-Y54 WeakPolarHBondContact CG1-OH 3.45Å; I10-V68 HydrophobicContact CD1-CB 4.35Å; I10-V68 HydrophobicContact CD1-CG1 3.78Å
11	Q	95.5	Very high	91.7	Very high	99 Å²	99	45.9 Å²	45.9	46%	0.463	24%	0.235	S	C	.	.			trans	-117.3	165.1	178.5	-61	-178.2	-7.9	0	0	111.9	D14	Q11-D14 WeakPolarHBondContact CB-OD2 2.91Å; Q11-D14 PolarHBondContact N-OD2 2.94Å; Q11-D14 VanDerWaalsContact O-CB 3.31Å; Q11-D14 WeakPolarHBondContact O-CB 3.39Å; Q11-D14 PolarHBondContact O-N 2.68Å
12	D	95.7	Very high	91.7	Very high	75 Å²	75	53.9 Å²	53.9	40%	0.401	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	137.2	170.6	-169.6	63	0	0	0	111	D14 Q31 H32 I50	D12-D14 VanDerWaalsContact C-N 3.27Å; D12-D14 PolarHBondContact O-N 2.83Å; D12-Q31 WeakPolarHBondContact OD1-CA 3.42Å; D12-H32 IonicContact OD1-CD2 2.68Å; D12-H32 IonicContact OD1-CG 3.66Å; D12-H32 PolarHBondContact OD1-N 2.9Å; D12-I50 HydrophobicContact CB-CD1 4.16Å
13	G	93.8	Very high	91.4	Very high	21 Å²	21	60.6 Å²	60.6	22%	0.216	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-1.1	-175.9	0	0	0	0	0	115.2	V30	G13-V30 WeakPolarHBondContact CA-O 3.5Å; G13-V30 PolarHBondContact N-O 2.89Å
14	D	95.2	Very high	91.1	Very high	1 Å²	1	62 Å²	62	1%	0.005	32%	0.317	C	S	.	.			trans	-72	150.5	174.6	-73	-9	0	0	0	111.8	M1 Q11 D12 V30 Y54	M1-D14 WeakPolarHBondContact CA-OD1 3.31Å; M1-D14 HydrophobicContact CB-CB 4.19Å; M1-D14 WeakPolarHBondContact CB-OD1 3.42Å; M1-D14 WeakPolarHBondContact CB-OD2 3.29Å; M1-D14 HydrophobicContact CE-CB 3.77Å; M1-D14 PolarHBondContact N-OD1 3.35Å; Q11-D14 WeakPolarHBondContact CB-OD2 2.91Å; Q11-D14 PolarHBondContact N-OD2 2.94Å; Q11-D14 VanDerWaalsContact O-CB 3.31Å; Q11-D14 WeakPolarHBondContact O-CB 3.39Å; Q11-D14 PolarHBondContact O-N 2.68Å; D12-D14 VanDerWaalsContact C-N 3.27Å; D12-D14 PolarHBondContact O-N 2.83Å; D14-V30 WeakPolarHBondContact O-CB 3.42Å; D14-V30 WeakPolarHBondContact O-CG2 3.43Å; D14-V30 PolarHBondContact O-N 2.83Å; D14-Y54 PolarHBondContact OD2-OH 2.9Å
15	V	95.1	Very high	90.9	Very high	11 Å²	11	61.1 Å²	61.1	7%	0.067	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.3	166.1	177.6	0	0	0	0	108.3	A27 V28 P71 W76	V15-A27 HydrophobicContact CG1-CB 4.16Å; V15-V28 WeakPolarHBondContact CA-O 3.42Å; V15-P71 WeakPolarHBondContact O-CD 3.34Å; V15-P71 WeakPolarHBondContact O-CG 3.19Å; V15-W76 HydrophobicContact CG1-CZ3 4.34Å
16	A	95.4	Very high	90.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.4	179.9	0	0	0	0	0	111	V28 V30 Y54 V68	A16-V28 PolarHBondContact N-O 3.03Å; A16-V28 PolarHBondContact O-N 3.34Å; A16-V30 HydrophobicContact CB-CG2 3.89Å; A16-Y54 HydrophobicContact CB-CE1 4.07Å; A16-V68 HydrophobicContact CB-CG1 3.78Å
17	I	96	Very high	90.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113	177.1	-56.2	-61.7	0	0	0	109.2	V25 A27 L69 P71 L75 A79	I17-V25 HydrophobicContact CG2-CB 4.11Å; I17-V25 HydrophobicContact CG2-CG1 4.36Å; I17-A27 HydrophobicContact CD1-CB 3.86Å; I17-L69 HydrophobicContact CB-CB 4.32Å; I17-L69 PolarHBondContact N-O 3.27Å; I17-L69 VanDerWaalsContact N-O 3.1Å; I17-L69 PolarHBondContact O-N 3.22Å; I17-P71 HydrophobicContact CG1-CB 4.07Å; I17-L75 HydrophobicContact CB-CD1 4.44Å; I17-L75 HydrophobicContact CG1-CB 3.99Å; I17-L75 HydrophobicContact CG1-CD1 4.41Å; I17-L75 HydrophobicContact CG2-CB 4.23Å; I17-L75 HydrophobicContact CG2-CD1 4.41Å; I17-A79 HydrophobicContact CD1-CB 4.09Å
18	V	95.6	Very high	91	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.3	175.7	-177.6	0	0	0	0	109	L20 V25 T26 V28 I43 V66	V18-L20 HydrophobicContact CG1-CD2 3.81Å; V18-L20 HydrophobicContact CG1-CG 4.23Å; V18-V25 WeakPolarHBondContact O-CA 3.41Å; V18-T26 PolarHBondContact N-O 3.13Å; V18-T26 PolarHBondContact O-N 2.86Å; V18-V28 HydrophobicContact CB-CG2 4.49Å; V18-V28 HydrophobicContact CG2-CB 4.27Å; V18-V28 HydrophobicContact CG2-CG2 3.69Å; V18-I43 HydrophobicContact CG1-CD1 4.05Å; V18-I43 HydrophobicContact CG2-CD1 4.47Å; V18-V66 HydrophobicContact CG1-CB 3.88Å; V18-V66 HydrophobicContact CG1-CG1 4.07Å; V18-V66 HydrophobicContact CG1-CG2 3.88Å
19	H	93.8	Very high	91.1	Very high	58 Å²	58	46.6 Å²	46.6	27%	0.269	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	104.5	177.9	-174.9	-83.6	0	0	0	110.3	G21 V25 H67 L69	H19-G21 VanDerWaalsContact CE1-C 3.41Å; H19-G21 PolarHBondContact CE1-O 2.87Å; H19-G21 PolarHBondContact NE2-O 3.44Å; H19-V25 HydrophobicContact CB-CG1 4.46Å; H19-H67 HydrophobicContact CB-CB 4.35Å; H19-H67 PolarHBondContact N-O 3.17Å; H19-H67 PolarHBondContact O-N 3.05Å; H19-L69 HydrophobicContact CB-CD1 4.06Å; H19-L69 HydrophobicContact CB-CG 4.38Å
20	L	86.6	Confident	91.1	Very high	20 Å²	20	42.9 Å²	42.9	11%	0.105	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-8.5	-175.6	-59.8	169.1	0	0	0	112.5	V18 S24 T38 R39 F40 V66	V18-L20 HydrophobicContact CG1-CD2 3.81Å; V18-L20 HydrophobicContact CG1-CG 4.23Å; L20-S24 WeakPolarHBondContact CA-O 3.49Å; L20-S24 WeakPolarHBondContact CB-O 3.4Å; L20-S24 PolarHBondContact N-O 2.94Å; L20-T38 HydrophobicContact CD2-CG2 3.85Å; L20-R39 PolarHBondContact O-NH2 2.66Å; L20-F40 HydrophobicContact CB-CE2 4.2Å; L20-F40 HydrophobicContact CD2-CD2 4.12Å; L20-F40 HydrophobicContact CD2-CE2 4.29Å; L20-F40 WeakPolarHBondContact O-CE2 3.25Å; L20-F40 WeakPolarHBondContact O-CZ 3.15Å; L20-V66 HydrophobicContact CD2-CG1 3.64Å
21	G	79.9	Confident	91.2	Very high	18 Å²	18	47 Å²	47	19%	0.186	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-175.9	179	0	0	0	0	0	111.6	H19 N23 S24	H19-G21 VanDerWaalsContact CE1-C 3.41Å; H19-G21 PolarHBondContact CE1-O 2.87Å; H19-G21 PolarHBondContact NE2-O 3.44Å; G21-N23 PolarHBondContact O-N 2.99Å; G21-S24 PolarHBondContact N-O 2.84Å; G21-S24 PolarHBondContact O-N 2.67Å; G21-S24 VanDerWaalsContact O-N 3.11Å
22	H	69.4	Low	91.2	Very high	189 Å²	189	48 Å²	48	88%	0.875	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	-38.9	-167.8	-81.1	-84.8	0	0	0	115.9
23	N	72	Confident	91.2	Very high	159 Å²	159	47.4 Å²	47.4	85%	0.85	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	16.3	-176.8	-61.6	0.2	0	0	0	113.2	G21	G21-N23 PolarHBondContact O-N 2.99Å
24	S	86.1	Confident	91.3	Very high	43 Å²	43	47.7 Å²	47.7	30%	0.301	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	109.5	-174.7	-175.7	0	0	0	0	110.2	L20 G21	L20-S24 WeakPolarHBondContact CA-O 3.49Å; L20-S24 WeakPolarHBondContact CB-O 3.4Å; L20-S24 PolarHBondContact N-O 2.94Å; G21-S24 PolarHBondContact N-O 2.84Å; G21-S24 PolarHBondContact O-N 2.67Å; G21-S24 VanDerWaalsContact O-N 3.11Å
25	V	92	Very high	91.4	Very high	24 Å²	24	53.2 Å²	53.2	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.3	173.9	-67.1	0	0	0	0	109	I17 V18 H19 V78 A79	I17-V25 HydrophobicContact CG2-CB 4.11Å; I17-V25 HydrophobicContact CG2-CG1 4.36Å; V18-V25 WeakPolarHBondContact O-CA 3.41Å; H19-V25 HydrophobicContact CB-CG1 4.46Å; V25-V78 HydrophobicContact CG2-CB 3.78Å; V25-V78 HydrophobicContact CG2-CG1 3.44Å; V25-V78 VanDerWaalsContact CG2-CG1 3.44Å; V25-A79 HydrophobicContact CB-CB 4.46Å; V25-A79 HydrophobicContact CG2-CB 3.94Å
26	T	93.6	Very high	91.4	Very high	60 Å²	60	54.1 Å²	54.1	37%	0.368	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132.7	177	-56.5	0	0	0	0	109.1	V18 V28	V18-T26 PolarHBondContact N-O 3.13Å; V18-T26 PolarHBondContact O-N 2.86Å; T26-V28 HydrophobicContact CG2-CG2 4.48Å
27	A	94.9	Very high	91.4	Very high	28 Å²	28	60.6 Å²	60.6	23%	0.231	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.7	173	0	0	0	0	0	109.8	V15 I17 W76 A79	V15-A27 HydrophobicContact CG1-CB 4.16Å; I17-A27 HydrophobicContact CD1-CB 3.86Å; A27-W76 HydrophobicContact CB-CE3 3.95Å; A27-W76 HydrophobicContact CB-CZ3 3.58Å; A27-A79 HydrophobicContact CB-CB 4.07Å
28	V	95.1	Very high	91.2	Very high	10 Å²	10	61.7 Å²	61.7	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124	-177.8	175.8	0	0	0	0	109	V15 A16 V18 T26 V30 T36	V15-V28 WeakPolarHBondContact CA-O 3.42Å; A16-V28 PolarHBondContact N-O 3.03Å; A16-V28 PolarHBondContact O-N 3.34Å; V18-V28 HydrophobicContact CB-CG2 4.49Å; V18-V28 HydrophobicContact CG2-CB 4.27Å; V18-V28 HydrophobicContact CG2-CG2 3.69Å; T26-V28 HydrophobicContact CG2-CG2 4.48Å; V28-V30 PolarHBondContact O-N 2.95Å; V28-T36 VanDerWaalsContact CG1-OG1 3.28Å; V28-T36 WeakPolarHBondContact CG1-OG1 3.19Å; V28-T36 HydrophobicContact CG2-CG2 3.92Å
29	K	95.6	Very high	90.9	Very high	82 Å²	82	69.5 Å²	69.5	36%	0.357	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.7	168.4	-170.3	172.5	-179.5	-177.1	0	108.9	Q31 H45 E150	K29-Q31 HydrophobicContact CG-CG 4.27Å; K29-H45 PolarHBondContact O-CE1 2.84Å; K29-E150 VanDerWaalsContact NZ-CD 3.32Å; K29-E150 IonicContact NZ-OE1 2.76Å; K29-E150 PolarHBondContact NZ-OE1 3.23Å; K29-E150 IonicContact NZ-OE2 2.69Å
30	V	96.4	Very high	90.8	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.367	C	S	.	.			trans	-73.9	127.8	180	-175.9	0	0	0	0	108.6	I10 G13 D14 A16 V28 H45 L49 I50	I10-V30 HydrophobicContact CG2-CB 4.45Å; I10-V30 HydrophobicContact CG2-CG1 4.05Å; I10-V30 HydrophobicContact CG2-CG2 3.93Å; G13-V30 WeakPolarHBondContact CA-O 3.5Å; G13-V30 PolarHBondContact N-O 2.89Å; D14-V30 WeakPolarHBondContact O-CB 3.42Å; D14-V30 WeakPolarHBondContact O-CG2 3.43Å; D14-V30 PolarHBondContact O-N 2.83Å; A16-V30 HydrophobicContact CB-CG2 3.89Å; V28-V30 PolarHBondContact O-N 2.95Å; V30-H45 HydrophobicContact CG1-CB 4.37Å; V30-L49 HydrophobicContact CG1-CB 4.32Å; V30-L49 HydrophobicContact CG2-CD1 4.13Å; V30-I50 HydrophobicContact CG1-CD1 4Å; V30-I50 HydrophobicContact CG1-CG1 3.47Å; V30-I50 VanDerWaalsContact CG1-CG1 3.47Å
31	Q	97.1	Very high	91.1	Very high	88 Å²	88	68.7 Å²	68.7	41%	0.411	36%	0.363	S	S	.	.			trans	-148.4	134.3	-175.7	-67.9	-177.5	6.4	0	0	109.5	D12 K29 G33 A34 H45	D12-Q31 WeakPolarHBondContact OD1-CA 3.42Å; K29-Q31 HydrophobicContact CG-CG 4.27Å; Q31-G33 PolarHBondContact O-N 2.95Å; Q31-A34 HydrophobicContact CB-CB 3.84Å; Q31-A34 WeakPolarHBondContact O-CB 3.47Å; Q31-A34 PolarHBondContact O-N 3.11Å; Q31-A34 VanDerWaalsContact O-N 3.15Å; Q31-H45 PolarHBondContact N-ND1 2.82Å; Q31-H45 WeakPolarHBondContact O-CB 3.4Å
32	H	96.3	Very high	91.8	Very high	119 Å²	119	68.9 Å²	68.9	55%	0.551	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	132.5	173.2	-90.9	-63.2	0	0	0	112	D12 A34 S46	D12-H32 IonicContact OD1-CD2 2.68Å; D12-H32 IonicContact OD1-CG 3.66Å; D12-H32 PolarHBondContact OD1-N 2.9Å; H32-A34 PolarHBondContact O-N 3.29Å; H32-S46 PolarHBondContact ND1-OG 3.14Å
33	G	94.8	Very high	93.1	Very high	63 Å²	63	59.9 Å²	59.9	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-13.4	179.8	0	0	0	0	0	114.9	Q31 S46	Q31-G33 PolarHBondContact O-N 2.95Å; G33-S46 PolarHBondContact N-OG 3.42Å
34	A	97.3	Very high	94.3	Very high	28 Å²	28	59.1 Å²	59.1	23%	0.231	30%	0.304	C	S	.	.			trans	-76.2	159.8	178.7	0	0	0	0	0	112.7	Q31 H32 H45	Q31-A34 HydrophobicContact CB-CB 3.84Å; Q31-A34 WeakPolarHBondContact O-CB 3.47Å; Q31-A34 PolarHBondContact O-N 3.11Å; Q31-A34 VanDerWaalsContact O-N 3.15Å; H32-A34 PolarHBondContact O-N 3.29Å; A34-H45 WeakPolarHBondContact CB-ND1 3.47Å; A34-H45 WeakPolarHBondContact O-CB 3.37Å; A34-H45 PolarHBondContact O-N 3.36Å
35	Q	96.6	Very high	94.8	Very high	117 Å²	117	57.2 Å²	57.2	55%	0.547	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.1	179.7	-61.8	-176.1	3.2	0	0	109.8	V42 I43 R44	Q35-V42 HydrophobicContact CB-CG1 3.91Å; Q35-V42 HydrophobicContact CG-CG1 4.25Å; Q35-I43 WeakPolarHBondContact CA-O 3.48Å; Q35-R44 HydrophobicContact CG-CG 4.31Å
36	T	95.4	Very high	95	Very high	29 Å²	29	58.4 Å²	58.4	18%	0.178	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.3	172.8	-66.7	0	0	0	0	110	V28 T38 I43 H45	V28-T36 VanDerWaalsContact CG1-OG1 3.28Å; V28-T36 WeakPolarHBondContact CG1-OG1 3.19Å; V28-T36 HydrophobicContact CG2-CG2 3.92Å; T36-T38 HydrophobicContact CG2-CG2 4.33Å; T36-I43 PolarHBondContact N-O 3.25Å; T36-I43 PolarHBondContact O-N 2.98Å; T36-H45 PolarHBondContact OG1-CE1 3.5Å; T36-H45 PolarHBondContact OG1-NE2 3.43Å
37	Q	94.4	Very high	95.1	Very high	137 Å²	137	59.6 Å²	59.6	64%	0.64	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.5	174.9	-66.9	-68.3	-9.5	0	0	110.1
38	T	92.4	Very high	95.2	Very high	23 Å²	23	60.2 Å²	60.2	14%	0.141	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	167.3	173.7	78.4	0	0	0	0	110.3	L20 T36 F40 G41 I43	L20-T38 HydrophobicContact CD2-CG2 3.85Å; T36-T38 HydrophobicContact CG2-CG2 4.33Å; T38-F40 PolarHBondContact O-N 3.44Å; T38-F40 VanDerWaalsContact O-N 3.13Å; T38-F40 PolarHBondContact OG1-N 2.88Å; T38-F40 VanDerWaalsContact OG1-N 3.11Å; T38-G41 PolarHBondContact N-O 3.07Å; T38-G41 PolarHBondContact O-N 2.89Å; T38-G41 PolarHBondContact OG1-N 2.98Å; T38-G41 PolarHBondContact OG1-O 2.87Å; T38-I43 HydrophobicContact CG2-CD1 3.65Å; T38-I43 HydrophobicContact CG2-CG1 4.2Å
39	R	90	Very high	95.2	Very high	164 Å²	164	59.8 Å²	59.8	62%	0.619	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.7	171.4	67.8	-177.6	-177.5	175.6	1.3	113.7	L20	L20-R39 PolarHBondContact O-NH2 2.66Å
40	F	90.4	Very high	95.3	Very high	61 Å²	61	57.5 Å²	57.5	27%	0.268	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.6	179.2	-56.9	-65.5	0	0	0	113.7	L20 T38 C60 K62 V66	L20-F40 HydrophobicContact CB-CE2 4.2Å; L20-F40 HydrophobicContact CD2-CD2 4.12Å; L20-F40 HydrophobicContact CD2-CE2 4.29Å; L20-F40 WeakPolarHBondContact O-CE2 3.25Å; L20-F40 WeakPolarHBondContact O-CZ 3.15Å; T38-F40 PolarHBondContact O-N 3.44Å; T38-F40 VanDerWaalsContact O-N 3.13Å; T38-F40 PolarHBondContact OG1-N 2.88Å; T38-F40 VanDerWaalsContact OG1-N 3.11Å; F40-C60 HydrophobicContact CB-CB 4.3Å; F40-C60 WeakPolarHBondContact O-CB 3.2Å; F40-K62 WeakPolarHBondContact O-CB 3.33Å; F40-V66 HydrophobicContact CD2-CG1 3.77Å; F40-V66 HydrophobicContact CE2-CG1 4.43Å
41	G	93	Very high	95.3	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.5	-170.1	-177.6	0	0	0	0	0	112.9	T38	T38-G41 PolarHBondContact N-O 3.07Å; T38-G41 PolarHBondContact O-N 2.89Å; T38-G41 PolarHBondContact OG1-N 2.98Å; T38-G41 PolarHBondContact OG1-O 2.87Å
42	V	95.8	Very high	95.2	Very high	22 Å²	22	59.7 Å²	59.7	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.7	-178.3	-171.5	0	0	0	0	109.9	Q35 R44 S61	Q35-V42 HydrophobicContact CB-CG1 3.91Å; Q35-V42 HydrophobicContact CG-CG1 4.25Å; V42-R44 HydrophobicContact CG1-CG 4.38Å; V42-S61 PolarHBondContact N-OG 3.14Å; V42-S61 PolarHBondContact O-N 3.08Å
43	I	95.9	Very high	95.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118	165.6	-56.9	170	0	0	0	107.6	V18 Q35 T36 T38 D48 L49 V58 V66	V18-I43 HydrophobicContact CG1-CD1 4.05Å; V18-I43 HydrophobicContact CG2-CD1 4.47Å; Q35-I43 WeakPolarHBondContact CA-O 3.48Å; T36-I43 PolarHBondContact N-O 3.25Å; T36-I43 PolarHBondContact O-N 2.98Å; T38-I43 HydrophobicContact CG2-CD1 3.65Å; T38-I43 HydrophobicContact CG2-CG1 4.2Å; I43-D48 HydrophobicContact CG2-CB 4.15Å; I43-L49 HydrophobicContact CG2-CD1 3.92Å; I43-L49 HydrophobicContact CG2-CD2 3.75Å; I43-L49 HydrophobicContact CG2-CG 3.68Å; I43-V58 HydrophobicContact CG2-CG1 4.4Å; I43-V66 HydrophobicContact CD1-CG2 3.76Å
44	R	96.3	Very high	95.4	Very high	142 Å²	142	60.3 Å²	60.3	54%	0.536	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117	176.9	-62.7	172.7	179.3	162.9	0	109	Q35 V42 S46 T47 D48	Q35-R44 HydrophobicContact CG-CG 4.31Å; V42-R44 HydrophobicContact CG1-CG 4.38Å; R44-S46 PolarHBondContact O-N 2.77Å; R44-T47 WeakPolarHBondContact CB-OG1 3.42Å; R44-T47 PolarHBondContact O-N 3.17Å; R44-D48 WeakPolarHBondContact CB-OD2 3.45Å; R44-D48 PolarHBondContact N-OD2 3.29Å; R44-D48 WeakPolarHBondContact O-CA 3.48Å; R44-D48 WeakPolarHBondContact O-CB 3.28Å; R44-D48 PolarHBondContact O-N 3.1Å
45	H	97.3	Very high	95.2	Very high	4 Å²	4	61 Å²	61	2%	0.019	31%	0.306	C	S	.	.	I	π-helix	trans	-63.1	-42.9	-169.7	-66.4	-173.1	0	0	0	112.3	K29 V30 Q31 A34 T36 T47 L49 I50	K29-H45 PolarHBondContact O-CE1 2.84Å; V30-H45 HydrophobicContact CG1-CB 4.37Å; Q31-H45 PolarHBondContact N-ND1 2.82Å; Q31-H45 WeakPolarHBondContact O-CB 3.4Å; A34-H45 WeakPolarHBondContact CB-ND1 3.47Å; A34-H45 WeakPolarHBondContact O-CB 3.37Å; A34-H45 PolarHBondContact O-N 3.36Å; T36-H45 PolarHBondContact OG1-CE1 3.5Å; T36-H45 PolarHBondContact OG1-NE2 3.43Å; H45-T47 VanDerWaalsContact C-N 3.34Å; H45-T47 PolarHBondContact O-N 3.29Å; H45-L49 HydrophobicContact CB-CD1 4.36Å; H45-L49 WeakPolarHBondContact O-CB 3.25Å; H45-L49 PolarHBondContact O-N 3.03Å; H45-I50 WeakPolarHBondContact O-CG1 3.22Å; H45-I50 PolarHBondContact O-N 3.23Å
46	S	97	Very high	95.1	Very high	49 Å²	49	57 Å²	57	34%	0.343	29%	0.29	S	S	.	.	I	π-helix	trans	-61.5	-36.1	-178.2	-63.2	0	0	0	0	114.6	H32 G33 R44	H32-S46 PolarHBondContact ND1-OG 3.14Å; G33-S46 PolarHBondContact N-OG 3.42Å; R44-S46 PolarHBondContact O-N 2.77Å
47	T	95.6	Very high	95.1	Very high	85 Å²	85	61.3 Å²	61.3	52%	0.521	31%	0.306	S	S	.	.	I	π-helix	trans	-105	-34.5	-172.9	54.2	0	0	0	0	112.7	R44 H45	R44-T47 WeakPolarHBondContact CB-OG1 3.42Å; R44-T47 PolarHBondContact O-N 3.17Å; H45-T47 VanDerWaalsContact C-N 3.34Å; H45-T47 PolarHBondContact O-N 3.29Å
48	D	95.9	Very high	95.1	Very high	41 Å²	41	55.2 Å²	55.2	22%	0.219	28%	0.279	C	S	.	.	I	π-helix	trans	-101.5	-17.4	-168	-48.4	-18.7	0	0	0	111.9	I43 R44 V58	I43-D48 HydrophobicContact CG2-CB 4.15Å; R44-D48 WeakPolarHBondContact CB-OD2 3.45Å; R44-D48 PolarHBondContact N-OD2 3.29Å; R44-D48 WeakPolarHBondContact O-CA 3.48Å; R44-D48 WeakPolarHBondContact O-CB 3.28Å; R44-D48 PolarHBondContact O-N 3.1Å; D48-V58 HydrophobicContact CB-CG1 3.84Å
49	L	96.1	Very high	95.2	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.299	C	S	.	.	I	π-helix	trans	-118.2	-60.4	-178.6	-59.4	-176.9	0	0	0	112.7	I10 V30 I43 H45 G51 Q52 V58 V68	I10-L49 WeakPolarHBondContact CB-O 3.22Å; I10-L49 WeakPolarHBondContact CD1-O 3.29Å; I10-L49 HydrophobicContact CG2-CB 4.2Å; V30-L49 HydrophobicContact CG1-CB 4.32Å; V30-L49 HydrophobicContact CG2-CD1 4.13Å; I43-L49 HydrophobicContact CG2-CD1 3.92Å; I43-L49 HydrophobicContact CG2-CD2 3.75Å; I43-L49 HydrophobicContact CG2-CG 3.68Å; H45-L49 HydrophobicContact CB-CD1 4.36Å; H45-L49 WeakPolarHBondContact O-CB 3.25Å; H45-L49 PolarHBondContact O-N 3.03Å; L49-G51 PolarHBondContact O-N 2.87Å; L49-Q52 VanDerWaalsContact O-CB 3.24Å; L49-Q52 WeakPolarHBondContact O-CB 3.34Å; L49-Q52 WeakPolarHBondContact O-CG 3.32Å; L49-Q52 PolarHBondContact O-N 2.91Å; L49-V58 HydrophobicContact CD2-CG2 4.36Å; L49-V68 HydrophobicContact CD2-CG1 4.25Å; L49-V68 HydrophobicContact CD2-CG2 3.66Å
50	I	97.1	Very high	95.3	Very high	34 Å²	34	50.9 Å²	50.9	17%	0.174	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	129.6	-171.7	-65	173.3	0	0	0	110.2	D12 V30 H45 Q52	D12-I50 HydrophobicContact CB-CD1 4.16Å; V30-I50 HydrophobicContact CG1-CD1 4Å; V30-I50 HydrophobicContact CG1-CG1 3.47Å; V30-I50 VanDerWaalsContact CG1-CG1 3.47Å; H45-I50 WeakPolarHBondContact O-CG1 3.22Å; H45-I50 PolarHBondContact O-N 3.23Å; I50-Q52 PolarHBondContact O-N 2.91Å
51	G	95.9	Very high	95.2	Very high	47 Å²	47	51.6 Å²	51.6	49%	0.485	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-8.2	-176.4	0	0	0	0	0	114.7	I10 L49	I10-G51 PolarHBondContact O-N 2.91Å; L49-G51 PolarHBondContact O-N 2.87Å
52	Q	96.6	Very high	94.8	Very high	87 Å²	87	59.5 Å²	59.5	41%	0.407	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-79.6	158.4	173.7	-57.8	-60.5	-26.4	0	0	111.3	L9 I10 L49 I50	L9-Q52 WeakPolarHBondContact CA-O 3.26Å; I10-Q52 HydrophobicContact CD1-CB 4.14Å; I10-Q52 PolarHBondContact N-O 3.4Å; L49-Q52 VanDerWaalsContact O-CB 3.24Å; L49-Q52 WeakPolarHBondContact O-CB 3.34Å; L49-Q52 WeakPolarHBondContact O-CG 3.32Å; L49-Q52 PolarHBondContact O-N 2.91Å; I50-Q52 PolarHBondContact O-N 2.91Å
53	R	96.8	Very high	94.2	Very high	165 Å²	165	61.2 Å²	61.2	62%	0.623	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-79.6	142.4	177.1	-67.4	-179.6	69	-170.1	1.1	111.5	N8 L9 C56	N8-R53 VanDerWaalsContact O-CA 3.27Å; N8-R53 WeakPolarHBondContact O-CA 3.34Å; L9-R53 HydrophobicContact CD2-CG 3.66Å; R53-C56 VanDerWaalsContact O-CB 3.27Å; R53-C56 WeakPolarHBondContact O-CB 3.43Å; R53-C56 PolarHBondContact O-N 3.17Å; R53-C56 PolarHBondContact O-SG 3.18Å
54	Y	96.7	Very high	94	Very high	30 Å²	30	62.1 Å²	62.1	12%	0.118	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	145.1	165.6	-76.3	-70.8	0	0	0	111.3	M1 S7 N8 L9 I10 D14 A16 C56 V68 L69 H70	M1-Y54 HydrophobicContact CE-CE1 3.89Å; M1-Y54 HydrophobicContact CE-CE2 3.6Å; M1-Y54 WeakPolarHBondContact CE-OH 3.39Å; S7-Y54 WeakPolarHBondContact O-CD2 3.42Å; N8-Y54 PolarHBondContact O-N 3.04Å; N8-Y54 VanDerWaalsContact O-N 3.11Å; L9-Y54 WeakPolarHBondContact O-CE2 3.41Å; I10-Y54 HydrophobicContact CB-CE2 4.25Å; I10-Y54 HydrophobicContact CD1-CD1 4.4Å; I10-Y54 HydrophobicContact CD1-CE1 4.28Å; I10-Y54 HydrophobicContact CG1-CD1 3.83Å; I10-Y54 HydrophobicContact CG1-CD2 4.07Å; I10-Y54 HydrophobicContact CG1-CE1 3.44Å; I10-Y54 VanDerWaalsContact CG1-CE1 3.44Å; I10-Y54 HydrophobicContact CG1-CE2 3.67Å; I10-Y54 HydrophobicContact CG1-CG 4.12Å; I10-Y54 WeakPolarHBondContact CG1-OH 3.45Å; D14-Y54 PolarHBondContact OD2-OH 2.9Å; A16-Y54 HydrophobicContact CB-CE1 4.07Å; Y54-C56 VanDerWaalsContact C-N 3.3Å; Y54-V68 HydrophobicContact CD1-CG1 4.5Å; Y54-V68 HydrophobicContact CE1-CG1 4.41Å; Y54-L69 WeakPolarHBondContact CD1-O 3.46Å; Y54-H70 VanDerWaalsContact CD1-CA 3.44Å; Y54-H70 HydrophobicContact CD1-CB 4.04Å; Y54-H70 VanDerWaalsContact CD1-N 3.25Å; Y54-H70 HydrophobicContact CD2-CB 4.44Å; Y54-H70 AromaticContact CD2-CD2 3.73Å; Y54-H70 HydrophobicContact CG-CB 3.93Å
55	G	94.9	Very high	93.8	Very high	43 Å²	43	61 Å²	61	44%	0.443	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-3.1	-173.5	0	0	0	0	0	114.5	V68	G55-V68 WeakPolarHBondContact CA-O 3.32Å; G55-V68 PolarHBondContact N-O 2.88Å
56	C	94.3	Very high	93.7	Very high	31 Å²	31	60.8 Å²	60.8	21%	0.209	34%	0.344	C	S	.	.			trans	-70.8	155.5	179.5	73.2	0	0	0	0	112.6	R53 Y54 H67 V68	R53-C56 VanDerWaalsContact O-CB 3.27Å; R53-C56 WeakPolarHBondContact O-CB 3.43Å; R53-C56 PolarHBondContact O-N 3.17Å; R53-C56 PolarHBondContact O-SG 3.18Å; Y54-C56 VanDerWaalsContact C-N 3.3Å; C56-H67 WeakPolarHBondContact O-CA 3.4Å; C56-V68 PolarHBondContact O-N 2.88Å
57	K	95.4	Very high	93.7	Very high	120 Å²	120	61.6 Å²	61.6	52%	0.522	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.1	169.3	-177.3	-174	-176.3	-178.8	0	108.5	W65 V66	K57-W65 HydrophobicContact CD-CB 4.42Å; K57-W65 HydrophobicContact CD-CD2 4.19Å; K57-W65 HydrophobicContact CD-CE3 4.34Å; K57-W65 HydrophobicContact CD-CG 4.23Å; K57-W65 VanDerWaalsContact CE-CB 3.49Å; K57-W65 HydrophobicContact CG-CB 4Å; K57-W65 HydrophobicContact CG-CD2 4.15Å; K57-W65 HydrophobicContact CG-CE3 3.97Å; K57-W65 HydrophobicContact CG-CG 4.2Å; K57-V66 CarbonylContact C-O 3.59Å; K57-V66 WeakPolarHBondContact CA-O 3.18Å
58	V	94.4	Very high	93.7	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.2	178	178.7	0	0	0	0	109.2	I43 D48 L49 W65 V66 V68	I43-V58 HydrophobicContact CG2-CG1 4.4Å; D48-V58 HydrophobicContact CB-CG1 3.84Å; L49-V58 HydrophobicContact CD2-CG2 4.36Å; V58-W65 CarbonylContact O-C 3.56Å; V58-W65 WeakPolarHBondContact O-CA 3.24Å; V58-W65 WeakPolarHBondContact O-CB 3.21Å; V58-V66 HydrophobicContact CB-CG2 4.04Å; V58-V66 PolarHBondContact N-O 2.83Å; V58-V66 PolarHBondContact O-N 2.92Å; V58-V68 HydrophobicContact CB-CG2 4.3Å; V58-V68 HydrophobicContact CG2-CG2 3.63Å
59	T	93.8	Very high	93.7	Very high	92 Å²	92	58 Å²	58	56%	0.564	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.5	175.7	-55.5	0	0	0	0	109.5
60	C	92.1	Very high	93.7	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.034	32%	0.323	C	S	.	.			trans	-88.7	165.7	178.3	-56.9	0	0	0	0	111.4	F40 K62 G63 G64	F40-C60 HydrophobicContact CB-CB 4.3Å; F40-C60 WeakPolarHBondContact O-CB 3.2Å; C60-K62 PolarHBondContact O-N 3.41Å; C60-G63 PolarHBondContact O-N 3.44Å; C60-G64 PolarHBondContact N-O 3.49Å
61	S	87.4	Confident	93.7	Very high	75 Å²	75	57.3 Å²	57.3	52%	0.524	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.6	-173.9	64.9	0	0	0	0	116.8	V42	V42-S61 PolarHBondContact N-OG 3.14Å; V42-S61 PolarHBondContact O-N 3.08Å
62	K	84.8	Confident	93.7	Very high	167 Å²	167	56.1 Å²	56.1	73%	0.726	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	11.7	178.4	-60.4	-178.9	176.6	179	0	113.4	F40 C60 G64	F40-K62 WeakPolarHBondContact O-CB 3.33Å; C60-K62 PolarHBondContact O-N 3.41Å; K62-G64 VanDerWaalsContact C-N 3.25Å; K62-G64 PolarHBondContact O-N 3.4Å
63	G	84.9	Confident	93.8	Very high	58 Å²	58	52.1 Å²	52.1	60%	0.598	28%	0.28	S	S	*	.	S	Bend	trans	81.9	-7.3	-178.3	0	0	0	0	0	115	C60	C60-G63 PolarHBondContact O-N 3.44Å
64	G	90.6	Very high	93.8	Very high	19 Å²	19	47.3 Å²	47.3	20%	0.196	27%	0.265	C	S	.	.			trans	-72.9	173.7	167.5	0	0	0	0	0	111.9	C60 K62	C60-G64 PolarHBondContact N-O 3.49Å; K62-G64 VanDerWaalsContact C-N 3.25Å; K62-G64 PolarHBondContact O-N 3.4Å
65	W	93.2	Very high	93.8	Very high	119 Å²	119	48 Å²	48	45%	0.451	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	159.3	-175.9	57.6	-95.8	0	0	0	112.5	K57 V58 H67	K57-W65 HydrophobicContact CD-CB 4.42Å; K57-W65 HydrophobicContact CD-CD2 4.19Å; K57-W65 HydrophobicContact CD-CE3 4.34Å; K57-W65 HydrophobicContact CD-CG 4.23Å; K57-W65 VanDerWaalsContact CE-CB 3.49Å; K57-W65 HydrophobicContact CG-CB 4Å; K57-W65 HydrophobicContact CG-CD2 4.15Å; K57-W65 HydrophobicContact CG-CE3 3.97Å; K57-W65 HydrophobicContact CG-CG 4.2Å; V58-W65 CarbonylContact O-C 3.56Å; V58-W65 WeakPolarHBondContact O-CA 3.24Å; V58-W65 WeakPolarHBondContact O-CB 3.21Å; W65-H67 AromaticContact CH2-CE1 3.95Å; W65-H67 AromaticContact CZ3-CE1 3.27Å; W65-H67 WeakPolarHBondContact CZ3-CE1 3.3Å; W65-H67 AromaticContact CZ3-ND1 3.47Å; W65-H67 WeakPolarHBondContact CZ3-ND1 3.38Å
66	V	95	Very high	93.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.7	178.1	-59	0	0	0	0	110.5	V18 L20 F40 I43 K57 V58 V68	V18-V66 HydrophobicContact CG1-CB 3.88Å; V18-V66 HydrophobicContact CG1-CG1 4.07Å; V18-V66 HydrophobicContact CG1-CG2 3.88Å; L20-V66 HydrophobicContact CD2-CG1 3.64Å; F40-V66 HydrophobicContact CD2-CG1 3.77Å; F40-V66 HydrophobicContact CE2-CG1 4.43Å; I43-V66 HydrophobicContact CD1-CG2 3.76Å; K57-V66 CarbonylContact C-O 3.59Å; K57-V66 WeakPolarHBondContact CA-O 3.18Å; V58-V66 HydrophobicContact CB-CG2 4.04Å; V58-V66 PolarHBondContact N-O 2.83Å; V58-V66 PolarHBondContact O-N 2.92Å; V66-V68 HydrophobicContact CG2-CG2 4.38Å
67	H	95.6	Very high	94	Very high	66 Å²	66	45 Å²	45	31%	0.306	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.8	163.5	-70.2	100.2	0	0	0	109.8	H19 C56 W65 L69	H19-H67 HydrophobicContact CB-CB 4.35Å; H19-H67 PolarHBondContact N-O 3.17Å; H19-H67 PolarHBondContact O-N 3.05Å; C56-H67 WeakPolarHBondContact O-CA 3.4Å; W65-H67 AromaticContact CH2-CE1 3.95Å; W65-H67 AromaticContact CZ3-CE1 3.27Å; W65-H67 WeakPolarHBondContact CZ3-CE1 3.3Å; W65-H67 AromaticContact CZ3-ND1 3.47Å; W65-H67 WeakPolarHBondContact CZ3-ND1 3.38Å; H67-L69 HydrophobicContact CB-CD2 4.23Å
68	V	96	Very high	93.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.1	175.7	-175.6	0	0	0	0	108.4	I10 A16 L49 Y54 G55 C56 V58 V66	I10-V68 HydrophobicContact CD1-CB 4.35Å; I10-V68 HydrophobicContact CD1-CG1 3.78Å; A16-V68 HydrophobicContact CB-CG1 3.78Å; L49-V68 HydrophobicContact CD2-CG1 4.25Å; L49-V68 HydrophobicContact CD2-CG2 3.66Å; Y54-V68 HydrophobicContact CD1-CG1 4.5Å; Y54-V68 HydrophobicContact CE1-CG1 4.41Å; G55-V68 WeakPolarHBondContact CA-O 3.32Å; G55-V68 PolarHBondContact N-O 2.88Å; C56-V68 PolarHBondContact O-N 2.88Å; V58-V68 HydrophobicContact CB-CG2 4.3Å; V58-V68 HydrophobicContact CG2-CG2 3.63Å; V66-V68 HydrophobicContact CG2-CG2 4.38Å
69	L	95.9	Very high	93.9	Very high	49 Å²	49	43.5 Å²	43.5	26%	0.257	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.3	-173.4	-54.3	-179.7	0	0	0	110.9	I17 H19 Y54 H67 L75	I17-L69 HydrophobicContact CB-CB 4.32Å; I17-L69 PolarHBondContact N-O 3.27Å; I17-L69 VanDerWaalsContact N-O 3.1Å; I17-L69 PolarHBondContact O-N 3.22Å; H19-L69 HydrophobicContact CB-CD1 4.06Å; H19-L69 HydrophobicContact CB-CG 4.38Å; Y54-L69 WeakPolarHBondContact CD1-O 3.46Å; H67-L69 HydrophobicContact CB-CD2 4.23Å; L69-L75 HydrophobicContact CB-CD1 4.04Å; L69-L75 HydrophobicContact CD1-CD1 4.11Å; L69-L75 HydrophobicContact CD1-CD2 4.45Å
70	H	96.5	Very high	93.9	Very high	20 Å²	20	39.4 Å²	39.4	9%	0.093	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-62.9	135.5	169.3	-167.6	-76.2	0	0	0	108.4	E5 Y6 S7 Y54 L75	E5-H70 PolarHBondContact O-CE1 3.44Å; Y6-H70 HydrophobicContact CD1-CB 4.31Å; Y6-H70 AromaticContact CD1-CD2 3.95Å; Y6-H70 AromaticContact CD1-CE1 3.81Å; Y6-H70 AromaticContact CD1-CG 3.7Å; Y6-H70 AromaticContact CD1-ND1 3.61Å; Y6-H70 HydrophobicContact CE1-CB 4.38Å; Y6-H70 AromaticContact CE1-ND1 3.82Å; S7-H70 PolarHBondContact N-NE2 3.31Å; S7-H70 PolarHBondContact O-CD2 2.92Å; Y54-H70 VanDerWaalsContact CD1-CA 3.44Å; Y54-H70 HydrophobicContact CD1-CB 4.04Å; Y54-H70 VanDerWaalsContact CD1-N 3.25Å; Y54-H70 HydrophobicContact CD2-CB 4.44Å; Y54-H70 AromaticContact CD2-CD2 3.73Å; Y54-H70 HydrophobicContact CG-CB 3.93Å; H70-L75 WeakPolarHBondContact O-CD1 3.46Å
71	P	96.1	Very high	93.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.013	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65.9	141.5	177.7	31.3	-38.1	0	0	0	110.4	M1 F3 V15 I17	M1-P71 HydrophobicContact CE-CG 3.76Å; M1-P71 WeakPolarHBondContact SD-CD 3.33Å; M1-P71 HydrophobicContact SD-CG 3.11Å; M1-P71 WeakPolarHBondContact SD-CG 3.32Å; F3-P71 HydrophobicContact CD1-CB 4.43Å; F3-P71 HydrophobicContact CE1-CB 3.86Å; F3-P71 HydrophobicContact CE2-CB 4Å; F3-P71 HydrophobicContact CE2-CG 4.3Å; F3-P71 HydrophobicContact CZ-CB 3.64Å; F3-P71 HydrophobicContact CZ-CG 4.42Å; V15-P71 WeakPolarHBondContact O-CD 3.34Å; V15-P71 WeakPolarHBondContact O-CG 3.19Å; I17-P71 HydrophobicContact CG1-CB 4.07Å
72	T	97.2	Very high	94.1	Very high	22 Å²	22	43.6 Å²	43.6	14%	0.135	24%	0.235	C	C	.	.			trans	-133.7	160	166.2	74.7	0	0	0	0	107.6	E74 L75 W76	T72-E74 VanDerWaalsContact CB-OE2 3.22Å; T72-E74 WeakPolarHBondContact CB-OE2 3.46Å; T72-E74 PolarHBondContact O-N 2.94Å; T72-E74 PolarHBondContact OG1-N 3.34Å; T72-E74 PolarHBondContact OG1-OE2 2.88Å; T72-L75 PolarHBondContact O-N 3.06Å; T72-L75 VanDerWaalsContact O-N 3.15Å; T72-L75 PolarHBondContact OG1-N 2.75Å; T72-W76 WeakPolarHBondContact O-CB 3.2Å; T72-W76 PolarHBondContact O-N 3.35Å
73	P	97.9	Very high	94.4	Very high	3 Å²	3	39 Å²	39	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-52.9	-38.9	174.4	-28.4	36.7	0	0	0	112.9	F3 W76 T77 H119 A120 R123	F3-P73 HydrophobicContact CD1-CG 4.41Å; P73-W76 PolarHBondContact O-N 2.9Å; P73-T77 WeakPolarHBondContact O-CB 3.42Å; P73-T77 PolarHBondContact O-N 3.24Å; P73-T77 PolarHBondContact O-OG1 2.82Å; P73-H119 HydrophobicContact CB-CB 4.19Å; P73-H119 HydrophobicContact CG-CB 4.46Å; P73-H119 WeakPolarHBondContact CG-O 3.48Å; P73-A120 HydrophobicContact CB-CB 4.15Å; P73-R123 HydrophobicContact CG-CB 3.65Å; P73-R123 HydrophobicContact CG-CG 3.99Å
74	E	96.8	Very high	94.8	Very high	64 Å²	64	38.3 Å²	38.3	30%	0.299	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-44.5	178.3	-60	76.1	-165.4	0	0	112.4	T72 W76 T89 R123	T72-E74 VanDerWaalsContact CB-OE2 3.22Å; T72-E74 WeakPolarHBondContact CB-OE2 3.46Å; T72-E74 PolarHBondContact O-N 2.94Å; T72-E74 PolarHBondContact OG1-N 3.34Å; T72-E74 PolarHBondContact OG1-OE2 2.88Å; E74-W76 VanDerWaalsContact C-N 3.34Å; E74-T89 HydrophobicContact CB-CG2 4.49Å; E74-T89 HydrophobicContact CG-CG2 3.78Å; E74-R123 IonicContact OE1-CZ 2.71Å; E74-R123 IonicContact OE1-NH1 3.67Å; E74-R123 PolarHBondContact OE1-NH1 2.85Å; E74-R123 IonicContact OE1-NH2 3.45Å; E74-R123 PolarHBondContact OE1-NH2 2.91Å; E74-R123 IonicContact OE2-NH1 2.89Å; E74-R123 PolarHBondContact OE2-NH1 3.15Å; E74-R123 IonicContact OE2-NH2 3.32Å
75	L	96.1	Very high	94.9	Very high	43 Å²	43	43.9 Å²	43.9	23%	0.225	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-36.3	177.7	-70.8	175.6	0	0	0	111.3	I17 L69 H70 T72 V78 A79	I17-L75 HydrophobicContact CB-CD1 4.44Å; I17-L75 HydrophobicContact CG1-CB 3.99Å; I17-L75 HydrophobicContact CG1-CD1 4.41Å; I17-L75 HydrophobicContact CG2-CB 4.23Å; I17-L75 HydrophobicContact CG2-CD1 4.41Å; L69-L75 HydrophobicContact CB-CD1 4.04Å; L69-L75 HydrophobicContact CD1-CD1 4.11Å; L69-L75 HydrophobicContact CD1-CD2 4.45Å; H70-L75 WeakPolarHBondContact O-CD1 3.46Å; T72-L75 PolarHBondContact O-N 3.06Å; T72-L75 VanDerWaalsContact O-N 3.15Å; T72-L75 PolarHBondContact OG1-N 2.75Å; L75-V78 PolarHBondContact O-N 3.17Å; L75-A79 VanDerWaalsContact O-CB 3.27Å; L75-A79 WeakPolarHBondContact O-CB 3.45Å; L75-A79 PolarHBondContact O-N 2.98Å
76	W	96.7	Very high	95	Very high	11 Å²	11	38.7 Å²	38.7	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-42.7	175.2	175.4	-106.2	0	0	0	112.3	F3 V15 A27 T72 P73 E74 V78 A79 L80 H119 H151	F3-W76 HydrophobicContact CE1-CB 3.53Å; F3-W76 AromaticContact CE1-CG 3.95Å; F3-W76 HydrophobicContact CE1-CG 3.95Å; F3-W76 HydrophobicContact CZ-CB 3.94Å; F3-W76 HydrophobicContact CZ-CD2 4.14Å; F3-W76 HydrophobicContact CZ-CE3 4.18Å; F3-W76 HydrophobicContact CZ-CG 4.04Å; V15-W76 HydrophobicContact CG1-CZ3 4.34Å; A27-W76 HydrophobicContact CB-CE3 3.95Å; A27-W76 HydrophobicContact CB-CZ3 3.58Å; T72-W76 WeakPolarHBondContact O-CB 3.2Å; T72-W76 PolarHBondContact O-N 3.35Å; P73-W76 PolarHBondContact O-N 2.9Å; E74-W76 VanDerWaalsContact C-N 3.34Å; W76-V78 PolarHBondContact O-N 3.35Å; W76-V78 VanDerWaalsContact O-N 3.1Å; W76-A79 CarbonylContact O-C 3.56Å; W76-A79 PolarHBondContact O-N 2.83Å; W76-L80 HydrophobicContact CD2-CB 3.85Å; W76-L80 VanDerWaalsContact CE2-CB 3.44Å; W76-L80 HydrophobicContact CE3-CB 4.36Å; W76-L80 HydrophobicContact CG-CB 4.31Å; W76-L80 HydrophobicContact CH2-CB 4.15Å; W76-L80 HydrophobicContact CZ2-CB 3.6Å; W76-L80 WeakPolarHBondContact O-CB 3.42Å; W76-L80 WeakPolarHBondContact O-CG 3.3Å; W76-L80 PolarHBondContact O-N 3.29Å; W76-H119 AromaticContact CD1-CG 3.75Å; W76-H119 AromaticContact CD1-ND1 3.7Å; W76-H119 AromaticContact NE1-CE1 3.58Å; W76-H119 AromaticContact NE1-CG 3.99Å; W76-H119 AromaticContact NE1-ND1 3.49Å; W76-H119 PolarHBondContact NE1-ND1 2.86Å; W76-H151 AromaticContact CE2-CE1 3.87Å; W76-H151 AromaticContact CH2-CE1 3.58Å; W76-H151 AromaticContact CH2-NE2 3.94Å; W76-H151 AromaticContact CZ2-CE1 3.58Å; W76-H151 AromaticContact CZ3-CE1 3.9Å
77	T	96.7	Very high	95.1	Very high	2 Å²	2	39 Å²	39	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-51	-36.6	173.5	-71.2	0	0	0	0	112.3	P73 I86 Y88 S116	P73-T77 WeakPolarHBondContact O-CB 3.42Å; P73-T77 PolarHBondContact O-N 3.24Å; P73-T77 PolarHBondContact O-OG1 2.82Å; T77-I86 HydrophobicContact CG2-CD1 4.06Å; T77-I86 VanDerWaalsContact O-CD1 3.29Å; T77-I86 WeakPolarHBondContact O-CD1 3.43Å; T77-Y88 HydrophobicContact CG2-CD1 3.93Å; T77-S116 WeakPolarHBondContact CG2-OG 3.43Å; T77-S116 PolarHBondContact OG1-OG 2.92Å
78	V	94.1	Very high	95.1	Very high	80 Å²	80	40.3 Å²	40.3	49%	0.485	20%	0.204	S	C	.	.	H	α-helix	trans	-84.7	-27.1	178.6	-172.5	0	0	0	0	112.4	V25 L75 W76	V25-V78 HydrophobicContact CG2-CB 3.78Å; V25-V78 HydrophobicContact CG2-CG1 3.44Å; V25-V78 VanDerWaalsContact CG2-CG1 3.44Å; L75-V78 PolarHBondContact O-N 3.17Å; W76-V78 PolarHBondContact O-N 3.35Å; W76-V78 VanDerWaalsContact O-N 3.1Å
79	A	94.6	Very high	95.1	Very high	17 Å²	17	43 Å²	43	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-101.8	-13.4	-171.8	0	0	0	0	0	114.9	I17 V25 A27 L75 W76	I17-A79 HydrophobicContact CD1-CB 4.09Å; V25-A79 HydrophobicContact CB-CB 4.46Å; V25-A79 HydrophobicContact CG2-CB 3.94Å; A27-A79 HydrophobicContact CB-CB 4.07Å; L75-A79 VanDerWaalsContact O-CB 3.27Å; L75-A79 WeakPolarHBondContact O-CB 3.45Å; L75-A79 PolarHBondContact O-N 2.98Å; W76-A79 CarbonylContact O-C 3.56Å; W76-A79 PolarHBondContact O-N 2.83Å
80	L	94.1	Very high	95.1	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.218	C	C	.	.	S	Bend	trans	-67	150.6	-172.3	65.8	82.3	0	0	0	112.2	W76 H82 I86	W76-L80 HydrophobicContact CD2-CB 3.85Å; W76-L80 VanDerWaalsContact CE2-CB 3.44Å; W76-L80 HydrophobicContact CE3-CB 4.36Å; W76-L80 HydrophobicContact CG-CB 4.31Å; W76-L80 HydrophobicContact CH2-CB 4.15Å; W76-L80 HydrophobicContact CZ2-CB 3.6Å; W76-L80 WeakPolarHBondContact O-CB 3.42Å; W76-L80 WeakPolarHBondContact O-CG 3.3Å; W76-L80 PolarHBondContact O-N 3.29Å; L80-H82 PolarHBondContact O-N 3.39Å; L80-H82 VanDerWaalsContact O-N 3.15Å; L80-I86 HydrophobicContact CD1-CD1 4.35Å; L80-I86 HydrophobicContact CD1-CG2 4.37Å; L80-I86 HydrophobicContact CD2-CD1 4.25Å; L80-I86 HydrophobicContact CG-CD1 4.46Å
81	P	92.2	Very high	95.2	Very high	68 Å²	68	41.7 Å²	41.7	44%	0.442	22%	0.215	S	C	.	.			trans	-71.6	108.1	172.9	27.6	-31.6	0	0	0	110.2	R83	P81-R83 PolarHBondContact O-N 3.23Å; P81-R83 PolarHBondContact O-NH1 3.07Å
82	H	90.8	Very high	95.3	Very high	100 Å²	100	42 Å²	42	46%	0.463	22%	0.217	S	C	.	.			trans	-63.4	121.6	179.6	-71.4	-94.6	0	0	0	111.8	L80 I86	L80-H82 PolarHBondContact O-N 3.39Å; L80-H82 VanDerWaalsContact O-N 3.15Å; H82-I86 WeakPolarHBondContact CE1-CD1 3.18Å
83	R	92.3	Very high	95.4	Very high	71 Å²	71	43.6 Å²	43.6	27%	0.268	23%	0.232	S	C	.	.	S	Bend	trans	-111.2	-18.4	169.5	-64.1	176.5	-69.8	-91.3	12.1	112.2	P81 S114 E147	P81-R83 PolarHBondContact O-N 3.23Å; P81-R83 PolarHBondContact O-NH1 3.07Å; R83-S114 PolarHBondContact N-OG 2.81Å; R83-E147 IonicContact CZ-OE1 3.48Å; R83-E147 IonicContact CZ-OE2 3.01Å; R83-E147 IonicContact NH1-OE1 2.83Å; R83-E147 PolarHBondContact NH1-OE1 3.01Å; R83-E147 IonicContact NH1-OE2 3.98Å; R83-E147 IonicContact NH2-OE1 3.72Å; R83-E147 PolarHBondContact NH2-OE1 2.8Å; R83-E147 IonicContact NH2-OE2 3.31Å; R83-E147 PolarHBondContact NH2-OE2 3.19Å
84	T	92.9	Very high	95.4	Very high	43 Å²	43	45.6 Å²	45.6	26%	0.264	24%	0.242	S	C	.	.	S	Bend	trans	-142.7	169	-179.1	60.8	0	0	0	0	108.8	S114	T84-S114 PolarHBondContact N-OG 2.64Å; T84-S114 PolarHBondContact OG1-N 2.82Å; T84-S114 PolarHBondContact OG1-OG 2.7Å
85	Q	92.5	Very high	95.5	Very high	135 Å²	135	42.6 Å²	42.6	63%	0.631	23%	0.228	S	C	*	.			trans	-58.1	145.3	155	-174.6	59.6	21.4	0	0	108.7
86	I	95.5	Very high	95.6	Very high	11 Å²	11	41.6 Å²	41.6	6%	0.056	22%	0.223	C	C	.	.			trans	-126.1	158.1	-179.6	65.1	171.5	0	0	0	110.7	T77 L80 H82 Y88	T77-I86 HydrophobicContact CG2-CD1 4.06Å; T77-I86 VanDerWaalsContact O-CD1 3.29Å; T77-I86 WeakPolarHBondContact O-CD1 3.43Å; L80-I86 HydrophobicContact CD1-CD1 4.35Å; L80-I86 HydrophobicContact CD1-CG2 4.37Å; L80-I86 HydrophobicContact CD2-CD1 4.25Å; L80-I86 HydrophobicContact CG-CD1 4.46Å; H82-I86 WeakPolarHBondContact CE1-CD1 3.18Å; I86-Y88 HydrophobicContact CD1-CE1 4.22Å; I86-Y88 HydrophobicContact CG1-CD2 4.38Å; I86-Y88 HydrophobicContact CG1-CE2 4Å
87	L	96.2	Very high	95.7	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	25%	0.249	C	C	.	.			trans	-74.2	140.1	158.8	-65.4	-173.9	0	0	0	110.8	D91 I92 V95 S116 L117 F179 F206	L87-D91 HydrophobicContact CD2-CB 4.06Å; L87-I92 HydrophobicContact CB-CD1 4.17Å; L87-I92 HydrophobicContact CB-CG1 3.71Å; L87-I92 WeakPolarHBondContact O-CD1 3.34Å; L87-V95 HydrophobicContact CD1-CG2 4.41Å; L87-S116 PolarHBondContact O-OG 3.03Å; L87-L117 HydrophobicContact CD1-CD2 4.32Å; L87-F179 HydrophobicContact CD1-CE1 4.26Å; L87-F179 HydrophobicContact CD1-CE2 4.05Å; L87-F179 HydrophobicContact CD1-CZ 3.49Å; L87-F179 VanDerWaalsContact CD1-CZ 3.49Å; L87-F206 HydrophobicContact CD2-CD1 4.23Å; L87-F206 HydrophobicContact CD2-CD2 3.54Å; L87-F206 HydrophobicContact CD2-CE1 4.2Å; L87-F206 HydrophobicContact CD2-CE2 3.49Å; L87-F206 VanDerWaalsContact CD2-CE2 3.49Å; L87-F206 HydrophobicContact CD2-CG 3.9Å; L87-F206 HydrophobicContact CD2-CZ 3.84Å
88	Y	95.8	Very high	95.8	Very high	95 Å²	95	48.3 Å²	48.3	37%	0.373	26%	0.257	S	S	.	.			trans	-99.1	168.2	172.5	-73	-87.9	0	0	0	111.1	T77 I86 T90 D91 I92	T77-Y88 HydrophobicContact CG2-CD1 3.93Å; I86-Y88 HydrophobicContact CD1-CE1 4.22Å; I86-Y88 HydrophobicContact CG1-CD2 4.38Å; I86-Y88 HydrophobicContact CG1-CE2 4Å; Y88-T90 PolarHBondContact O-N 3.4Å; Y88-D91 PolarHBondContact O-N 3.08Å; Y88-D91 VanDerWaalsContact O-N 3.12Å; Y88-I92 WeakPolarHBondContact O-CG1 3.29Å; Y88-I92 PolarHBondContact O-N 2.8Å
89	T	96.1	Very high	96	Very high	55 Å²	55	44.7 Å²	44.7	34%	0.337	24%	0.235	S	C	.	.	H	α-helix	trans	-49.7	-37.2	-171.6	-50	0	0	0	0	114.6	E74 I92 A93	E74-T89 HydrophobicContact CB-CG2 4.49Å; E74-T89 HydrophobicContact CG-CG2 3.78Å; T89-I92 PolarHBondContact O-N 3.39Å; T89-A93 VanDerWaalsContact O-CB 3.27Å; T89-A93 WeakPolarHBondContact O-CB 3.5Å; T89-A93 PolarHBondContact O-N 3.1Å
90	T	96.8	Very high	96.2	Very high	37 Å²	37	49.6 Å²	49.6	23%	0.227	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-51.1	-179.7	-50.5	0	0	0	0	112.2	Y88 A93 M94 V233 L235	Y88-T90 PolarHBondContact O-N 3.4Å; T90-A93 PolarHBondContact O-N 3.22Å; T90-M94 PolarHBondContact O-N 2.92Å; T90-V233 HydrophobicContact CG2-CB 4.35Å; T90-V233 HydrophobicContact CG2-CG1 3.59Å; T90-L235 HydrophobicContact CG2-CB 4.2Å
91	D	97.9	Very high	96.4	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-41.6	177.9	-70.1	-35.9	0	0	0	110.2	L87 Y88 A93 M94 V95 T291 L294	L87-D91 HydrophobicContact CD2-CB 4.06Å; Y88-D91 PolarHBondContact O-N 3.08Å; Y88-D91 VanDerWaalsContact O-N 3.12Å; D91-A93 VanDerWaalsContact C-N 3.32Å; D91-A93 PolarHBondContact O-N 2.88Å; D91-M94 WeakPolarHBondContact O-CB 3.27Å; D91-M94 PolarHBondContact O-N 3.44Å; D91-M94 VanDerWaalsContact O-N 3.17Å; D91-V95 WeakPolarHBondContact O-CB 3.48Å; D91-V95 VanDerWaalsContact O-CG2 3.28Å; D91-V95 WeakPolarHBondContact O-CG2 3.26Å; D91-V95 PolarHBondContact O-N 3.19Å; D91-T291 WeakPolarHBondContact OD2-CB 3.12Å; D91-T291 PolarHBondContact OD2-OG1 2.82Å; D91-L294 HydrophobicContact CB-CD1 4.34Å
92	I	98.6	Very high	96.8	Very high	9 Å²	9	53 Å²	53	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-43	177.1	-69	174.7	0	0	0	111.5	L87 Y88 T89 M94 V95 T96 L117 A120	L87-I92 HydrophobicContact CB-CD1 4.17Å; L87-I92 HydrophobicContact CB-CG1 3.71Å; L87-I92 WeakPolarHBondContact O-CD1 3.34Å; Y88-I92 WeakPolarHBondContact O-CG1 3.29Å; Y88-I92 PolarHBondContact O-N 2.8Å; T89-I92 PolarHBondContact O-N 3.39Å; I92-M94 VanDerWaalsContact C-N 3.32Å; I92-M94 PolarHBondContact O-N 3.5Å; I92-V95 PolarHBondContact O-N 3.01Å; I92-T96 VanDerWaalsContact O-CB 3.3Å; I92-T96 WeakPolarHBondContact O-CB 3.48Å; I92-T96 PolarHBondContact O-N 3.31Å; I92-T96 PolarHBondContact O-OG1 3.29Å; I92-L117 HydrophobicContact CB-CD1 4.42Å; I92-L117 HydrophobicContact CG1-CD1 4.02Å; I92-L117 HydrophobicContact CG2-CD1 4.06Å; I92-A120 HydrophobicContact CG2-CB 3.36Å
93	A	98.4	Very high	97.1	Very high	56 Å²	56	52.3 Å²	52.3	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-43.2	178.5	0	0	0	0	0	111.2	T89 T90 D91 M97	T89-A93 VanDerWaalsContact O-CB 3.27Å; T89-A93 WeakPolarHBondContact O-CB 3.5Å; T89-A93 PolarHBondContact O-N 3.1Å; T90-A93 PolarHBondContact O-N 3.22Å; D91-A93 VanDerWaalsContact C-N 3.32Å; D91-A93 PolarHBondContact O-N 2.88Å; A93-M97 WeakPolarHBondContact O-CB 3.3Å; A93-M97 PolarHBondContact O-N 2.8Å; A93-M97 VanDerWaalsContact O-N 3.08Å
94	M	98.4	Very high	97.4	Very high	45 Å²	45	50.3 Å²	50.3	22%	0.222	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-46.4	176.6	-70.8	-63.1	-51.1	0	0	112.2	T90 D91 I92 T96 M97 M98 L231 V233 L294	T90-M94 PolarHBondContact O-N 2.92Å; D91-M94 WeakPolarHBondContact O-CB 3.27Å; D91-M94 PolarHBondContact O-N 3.44Å; D91-M94 VanDerWaalsContact O-N 3.17Å; I92-M94 VanDerWaalsContact C-N 3.32Å; I92-M94 PolarHBondContact O-N 3.5Å; M94-T96 PolarHBondContact O-N 3.26Å; M94-M97 HydrophobicContact CE-CE 4.23Å; M94-M97 PolarHBondContact O-N 3.42Å; M94-M97 HydrophobicContact SD-CE 4.29Å; M94-M98 HydrophobicContact CE-CG 4.04Å; M94-M98 WeakPolarHBondContact O-CB 3.49Å; M94-M98 WeakPolarHBondContact O-CG 3.28Å; M94-M98 PolarHBondContact O-N 3.5Å; M94-L231 HydrophobicContact CE-CD1 4.37Å; M94-V233 HydrophobicContact CE-CG2 4.34Å; M94-V233 HydrophobicContact CG-CB 4.33Å; M94-V233 HydrophobicContact CG-CG1 4.3Å; M94-V233 HydrophobicContact CG-CG2 3.77Å; M94-V233 HydrophobicContact SD-CG2 4.34Å; M94-L294 HydrophobicContact CB-CD1 4.18Å
95	V	98.7	Very high	97.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-50.5	175.7	168.9	0	0	0	0	110.5	L87 D91 I92 M97 M98 L99 L117 F179 L294	L87-V95 HydrophobicContact CD1-CG2 4.41Å; D91-V95 WeakPolarHBondContact O-CB 3.48Å; D91-V95 VanDerWaalsContact O-CG2 3.28Å; D91-V95 WeakPolarHBondContact O-CG2 3.26Å; D91-V95 PolarHBondContact O-N 3.19Å; I92-V95 PolarHBondContact O-N 3.01Å; V95-M97 VanDerWaalsContact C-N 3.35Å; V95-M97 PolarHBondContact O-N 2.94Å; V95-M98 PolarHBondContact O-N 2.8Å; V95-L99 HydrophobicContact CG1-CD1 3.64Å; V95-L99 HydrophobicContact CG1-CG 4.27Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 VanDerWaalsContact O-CG 3.32Å; V95-L99 WeakPolarHBondContact O-CG 3.5Å; V95-L99 PolarHBondContact O-N 2.8Å; V95-L117 HydrophobicContact CG1-CD1 4.15Å; V95-L117 HydrophobicContact CG1-CD2 4.47Å; V95-F179 HydrophobicContact CG1-CD2 3.56Å; V95-F179 HydrophobicContact CG1-CE2 3.89Å; V95-F179 HydrophobicContact CG1-CG 4.45Å; V95-F179 HydrophobicContact CG2-CD2 4.27Å; V95-F179 HydrophobicContact CG2-CE2 3.77Å; V95-L294 HydrophobicContact CG2-CD1 4.09Å; V95-L294 HydrophobicContact CG2-CD2 3.68Å
96	T	98.8	Very high	98	Very high	22 Å²	22	43.4 Å²	43.4	14%	0.135	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-46.8	-177.3	-56.8	0	0	0	0	111.3	I92 M94 E100 L101 T124	I92-T96 VanDerWaalsContact O-CB 3.3Å; I92-T96 WeakPolarHBondContact O-CB 3.48Å; I92-T96 PolarHBondContact O-N 3.31Å; I92-T96 PolarHBondContact O-OG1 3.29Å; M94-T96 PolarHBondContact O-N 3.26Å; T96-E100 PolarHBondContact O-N 2.97Å; T96-L101 HydrophobicContact CG2-CB 4.03Å; T96-L101 HydrophobicContact CG2-CD1 4.32Å; T96-L101 PolarHBondContact O-N 3.39Å; T96-L101 VanDerWaalsContact O-N 3.11Å; T96-T124 HydrophobicContact CG2-CG2 3.75Å
97	M	98.7	Very high	98.2	Very high	120 Å²	120	42.9 Å²	42.9	59%	0.591	23%	0.234	S	C	*	.	H	α-helix	trans	-68.9	-47.9	-180	-174.9	-177.6	72	0	0	112.1	A93 M94 V95 L99 E100	A93-M97 WeakPolarHBondContact O-CB 3.3Å; A93-M97 PolarHBondContact O-N 2.8Å; A93-M97 VanDerWaalsContact O-N 3.08Å; M94-M97 HydrophobicContact CE-CE 4.23Å; M94-M97 PolarHBondContact O-N 3.42Å; M94-M97 HydrophobicContact SD-CE 4.29Å; V95-M97 VanDerWaalsContact C-N 3.35Å; V95-M97 PolarHBondContact O-N 2.94Å; M97-L99 VanDerWaalsContact C-N 3.32Å; M97-L99 PolarHBondContact O-N 2.93Å; M97-E100 WeakPolarHBondContact O-CA 3.43Å; M97-E100 PolarHBondContact O-N 3.31Å
98	M	98.7	Very high	98.3	Very high	35 Å²	35	42.7 Å²	42.7	17%	0.172	23%	0.232	C	C	.	.	H	α-helix	trans	-76.6	-18.1	-173.8	-66.3	-66.6	-66.9	0	0	113.6	M94 V95 E100 R202 L231 F296	M94-M98 HydrophobicContact CE-CG 4.04Å; M94-M98 WeakPolarHBondContact O-CB 3.49Å; M94-M98 WeakPolarHBondContact O-CG 3.28Å; M94-M98 PolarHBondContact O-N 3.5Å; V95-M98 PolarHBondContact O-N 2.8Å; M98-E100 VanDerWaalsContact C-N 3.31Å; M98-R202 PolarHBondContact O-NE 2.92Å; M98-R202 PolarHBondContact O-NH2 3.22Å; M98-L231 HydrophobicContact CE-CD1 4.22Å; M98-F296 HydrophobicContact CB-CD1 3.58Å; M98-F296 HydrophobicContact CB-CD2 4.44Å; M98-F296 HydrophobicContact CB-CE1 3.25Å; M98-F296 HydrophobicContact CB-CE2 4.17Å; M98-F296 HydrophobicContact CB-CG 4.17Å; M98-F296 HydrophobicContact CB-CZ 3.57Å; M98-F296 HydrophobicContact CE-CD2 4.39Å; M98-F296 HydrophobicContact CE-CG 4.48Å; M98-F296 HydrophobicContact CG-CE1 4.16Å; M98-F296 HydrophobicContact CG-CE2 4.25Å; M98-F296 HydrophobicContact CG-CZ 3.97Å
99	L	98.8	Very high	98.5	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.9	166.1	-72.7	-177.6	0	0	0	113.2	V95 M97 L101 A177 F179 R202 C204	V95-L99 HydrophobicContact CG1-CD1 3.64Å; V95-L99 HydrophobicContact CG1-CG 4.27Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 VanDerWaalsContact O-CG 3.32Å; V95-L99 WeakPolarHBondContact O-CG 3.5Å; V95-L99 PolarHBondContact O-N 2.8Å; M97-L99 VanDerWaalsContact C-N 3.32Å; M97-L99 PolarHBondContact O-N 2.93Å; L99-L101 HydrophobicContact CB-CD2 3.75Å; L99-L101 HydrophobicContact CB-CG 3.82Å; L99-L101 PolarHBondContact O-N 3.17Å; L99-A177 HydrophobicContact CB-CB 4.12Å; L99-A177 HydrophobicContact CD1-CB 4.39Å; L99-A177 HydrophobicContact CD2-CB 4.25Å; L99-F179 HydrophobicContact CD1-CB 4.14Å; L99-F179 HydrophobicContact CD1-CD2 4.43Å; L99-R202 HydrophobicContact CD2-CB 3.76Å; L99-C204 HydrophobicContact CD1-CB 4.04Å; L99-C204 HydrophobicContact CD2-CB 3.58Å; L99-C204 HydrophobicContact CG-CB 3.86Å
100	E	98.6	Very high	98.6	Very high	121 Å²	121	35.9 Å²	35.9	57%	0.565	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	34.9	179.7	-55.1	173.7	-161.9	0	0	113.2	T96 M97 M98 K102 R202	T96-E100 PolarHBondContact O-N 2.97Å; M97-E100 WeakPolarHBondContact O-CA 3.43Å; M97-E100 PolarHBondContact O-N 3.31Å; M98-E100 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 2.83Å; E100-R202 HydrophobicContact CG-CG 4.32Å
101	L	98.8	Very high	98.6	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.089	20%	0.197	C	C	.	.			trans	-67.6	135.3	-179.4	-55.1	-169.8	0	0	0	110.3	T96 L99 V107 I121 T124 A177	T96-L101 HydrophobicContact CG2-CB 4.03Å; T96-L101 HydrophobicContact CG2-CD1 4.32Å; T96-L101 PolarHBondContact O-N 3.39Å; T96-L101 VanDerWaalsContact O-N 3.11Å; L99-L101 HydrophobicContact CB-CD2 3.75Å; L99-L101 HydrophobicContact CB-CG 3.82Å; L99-L101 PolarHBondContact O-N 3.17Å; L101-V107 HydrophobicContact CD1-CG2 4.48Å; L101-V107 HydrophobicContact CD2-CG2 3.62Å; L101-I121 HydrophobicContact CD1-CG1 3.92Å; L101-I121 HydrophobicContact CD1-CG2 4.47Å; L101-T124 HydrophobicContact CB-CG2 3.73Å; L101-T124 WeakPolarHBondContact O-CG2 3.44Å; L101-A177 HydrophobicContact CD2-CB 3.56Å
102	K	98.8	Very high	98.6	Very high	127 Å²	127	34.9 Å²	34.9	55%	0.552	20%	0.198	S	C	*	.			trans	-154.9	168.8	-178.8	61.2	-171.3	173	-158.3	0	110.3	E100 G104 S105 T124 I125	E100-K102 PolarHBondContact O-N 2.83Å; K102-G104 PolarHBondContact O-N 3.3Å; K102-S105 PolarHBondContact N-OG 2.83Å; K102-S105 VanDerWaalsContact N-OG 3.14Å; K102-S105 VanDerWaalsContact O-CB 3.28Å; K102-S105 WeakPolarHBondContact O-CB 3.31Å; K102-S105 PolarHBondContact O-N 3.37Å; K102-S105 PolarHBondContact O-OG 2.8Å; K102-S105 VanDerWaalsContact O-OG 3.07Å; K102-T124 CarbonylContact C-O 3.6Å; K102-I125 WeakPolarHBondContact O-CA 3.49Å
103	P	98.8	Very high	98.5	Very high	87 Å²	87	34.9 Å²	34.9	57%	0.565	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	128.5	173.3	-31.3	38.5	0	0	0	111.6	T124 I125 A126	P103-T124 WeakPolarHBondContact CD-O 3.49Å; P103-T124 VanDerWaalsContact N-O 3.09Å; P103-I125 WeakPolarHBondContact CA-O 3.23Å; P103-A126 WeakPolarHBondContact CB-O 3.3Å
104	G	98.6	Very high	98.4	Very high	28 Å²	28	32.3 Å²	32.3	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-8	-177.3	0	0	0	0	0	115.7	K102 I125 T128	K102-G104 PolarHBondContact O-N 3.3Å; G104-I125 PolarHBondContact N-O 3.46Å; G104-T128 VanDerWaalsContact CA-OG1 3.29Å; G104-T128 WeakPolarHBondContact CA-OG1 3.49Å; G104-T128 PolarHBondContact N-OG1 3.33Å
105	S	98.8	Very high	98.4	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.035	17%	0.169	C	C	.	.			trans	-63.6	136	175.1	-68.1	0	0	0	0	111.4	K102 G129 H130	K102-S105 PolarHBondContact N-OG 2.83Å; K102-S105 VanDerWaalsContact N-OG 3.14Å; K102-S105 VanDerWaalsContact O-CB 3.28Å; K102-S105 WeakPolarHBondContact O-CB 3.31Å; K102-S105 PolarHBondContact O-N 3.37Å; K102-S105 PolarHBondContact O-OG 2.8Å; K102-S105 VanDerWaalsContact O-OG 3.07Å; S105-G129 VanDerWaalsContact O-CA 3.22Å; S105-G129 WeakPolarHBondContact O-CA 3.22Å; S105-H130 PolarHBondContact O-N 3.38Å
106	V	98.9	Very high	98.3	Very high	29 Å²	29	30.4 Å²	30.4	18%	0.176	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122	167.9	180	0	0	0	0	108.7	H130 V174 A175 D176 A177	V106-H130 CarbonylContact C-O 3.49Å; V106-H130 WeakPolarHBondContact CA-O 3.25Å; V106-V174 WeakPolarHBondContact CB-O 3.47Å; V106-V174 HydrophobicContact CG1-CG2 4.24Å; V106-A175 CarbonylContact O-C 3.6Å; V106-A175 WeakPolarHBondContact O-CA 3.22Å; V106-D176 PolarHBondContact N-OD2 2.78Å; V106-D176 PolarHBondContact O-N 3.22Å; V106-A177 PolarHBondContact O-N 3.28Å
107	V	98.9	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138	-172.4	-172.7	0	0	0	0	110	L101 I121 I125 H130 L131 H132 A177	L101-V107 HydrophobicContact CD1-CG2 4.48Å; L101-V107 HydrophobicContact CD2-CG2 3.62Å; V107-I121 HydrophobicContact CB-CG2 4.03Å; V107-I121 HydrophobicContact CG1-CD1 4.1Å; V107-I121 HydrophobicContact CG1-CG2 4.23Å; V107-I121 HydrophobicContact CG2-CG2 3.99Å; V107-I125 HydrophobicContact CG2-CG2 3.94Å; V107-H130 PolarHBondContact N-O 3.5Å; V107-L131 HydrophobicContact CB-CD1 4.1Å; V107-L131 HydrophobicContact CG1-CD1 4.23Å; V107-L131 CarbonylContact O-C 3.19Å; V107-L131 WeakPolarHBondContact O-CA 3.37Å; V107-H132 PolarHBondContact O-N 2.97Å; V107-A177 WeakPolarHBondContact CA-O 3.28Å; V107-A177 HydrophobicContact CG1-CB 4.43Å; V107-A177 HydrophobicContact CG2-CB 4.48Å
108	C	98.9	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.8	167.8	-74	0	0	0	0	110	H132 F169 V171 A175 A177 V178 F179	C108-H132 CarbonylContact C-O 3.56Å; C108-H132 VanDerWaalsContact CA-O 3.26Å; C108-H132 WeakPolarHBondContact CA-O 3.43Å; C108-F169 HydrophobicContact CB-CB 4.39Å; C108-F169 HydrophobicContact CB-CD1 3.54Å; C108-F169 HydrophobicContact CB-CD2 4.33Å; C108-F169 HydrophobicContact CB-CE1 3.76Å; C108-F169 HydrophobicContact CB-CG 3.83Å; C108-F169 HydrophobicContact CB-CZ 4.25Å; C108-V171 VanDerWaalsContact SG-CG2 3.58Å; C108-A175 HydrophobicContact CB-CB 4.34Å; C108-A177 PolarHBondContact N-O 2.84Å; C108-V178 HydrophobicContact CB-CG1 4.36Å; C108-V178 HydrophobicContact CB-CG2 4.14Å; C108-V178 CarbonylContact O-C 3.57Å; C108-V178 VanDerWaalsContact O-CA 3.3Å; C108-V178 WeakPolarHBondContact O-CA 3.38Å; C108-F179 PolarHBondContact O-N 2.87Å
109	E	98.9	Very high	98.3	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.3	-178.5	174.9	-179.7	-134.5	0	0	110.1	S118 L131 H132 T133 V134 F179	E109-S118 VanDerWaalsContact CD-OG 3.3Å; E109-S118 PolarHBondContact OE1-N 3.46Å; E109-S118 PolarHBondContact OE1-OG 3.04Å; E109-S118 WeakPolarHBondContact OE2-CB 3.49Å; E109-S118 PolarHBondContact OE2-OG 3.45Å; E109-L131 HydrophobicContact CB-CD1 3.78Å; E109-H132 PolarHBondContact N-O 3.22Å; E109-T133 CarbonylContact O-C 3.57Å; E109-T133 VanDerWaalsContact O-CA 3.27Å; E109-T133 WeakPolarHBondContact O-CA 3.43Å; E109-T133 PolarHBondContact O-OG1 2.85Å; E109-T133 PolarHBondContact OE2-OG1 2.92Å; E109-V134 PolarHBondContact O-N 3.41Å; E109-F179 WeakPolarHBondContact CA-O 3.29Å; E109-F179 HydrophobicContact CG-CD1 4.35Å
110	S	98.6	Very high	98.3	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.028	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	135	162.2	-166.9	0	0	0	0	109.6	V134 V164 F179 L180 D181	S110-V134 PolarHBondContact OG-O 2.95Å; S110-V164 WeakPolarHBondContact OG-CG1 3.47Å; S110-F179 PolarHBondContact N-O 3.43Å; S110-L180 CarbonylContact O-C 3.58Å; S110-L180 WeakPolarHBondContact O-CA 3.23Å; S110-D181 PolarHBondContact O-N 3.06Å
111	G	97.3	Very high	98.3	Very high	15 Å²	15	16.6 Å²	16.6	16%	0.155	10%	0.103	C	C	.	.			cis	-84.1	149.8	-1.5	0	0	0	0	0	113.6	G113 V134 D181	G111-G113 VanDerWaalsContact C-N 3.33Å; G111-G113 PolarHBondContact O-N 2.85Å; G111-V134 WeakPolarHBondContact CA-O 3.5Å; G111-D181 PolarHBondContact N-O 3.07Å
112	T	97.9	Very high	98.3	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.031	10%	0.099	C	C	.	.			trans	-64.9	-37.1	174.7	-37.9	0	0	0	0	112.4	S114 G115 T133 V134 E135 V144 F148	T112-S114 PolarHBondContact O-N 3.4Å; T112-G115 PolarHBondContact O-N 2.84Å; T112-T133 WeakPolarHBondContact CB-OG1 3.16Å; T112-T133 HydrophobicContact CG2-CG2 3.68Å; T112-T133 WeakPolarHBondContact OG1-CG2 3.38Å; T112-T133 PolarHBondContact OG1-OG1 3.36Å; T112-V134 PolarHBondContact N-O 3.48Å; T112-E135 WeakPolarHBondContact OG1-CB 3.47Å; T112-V144 HydrophobicContact CG2-CB 4.37Å; T112-V144 HydrophobicContact CG2-CG1 3.76Å; T112-V144 HydrophobicContact CG2-CG2 4Å; T112-F148 HydrophobicContact CG2-CE2 4.49Å; T112-F148 HydrophobicContact CG2-CZ 4.42Å
113	G	96.1	Very high	98.3	Very high	10 Å²	10	14 Å²	14	10%	0.103	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-122.6	176.8	0	0	0	0	0	113.4	G111 E135	G111-G113 VanDerWaalsContact C-N 3.33Å; G111-G113 PolarHBondContact O-N 2.85Å; G113-E135 PolarHBondContact N-OE2 2.87Å; G113-E135 VanDerWaalsContact N-OE2 3.12Å
114	S	96.7	Very high	98.3	Very high	2 Å²	2	11 Å²	11	1%	0.014	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.3	177.2	-47.7	0	0	0	0	113.6	R83 T84 T112 S116	R83-S114 PolarHBondContact N-OG 2.81Å; T84-S114 PolarHBondContact N-OG 2.64Å; T84-S114 PolarHBondContact OG1-N 2.82Å; T84-S114 PolarHBondContact OG1-OG 2.7Å; T112-S114 PolarHBondContact O-N 3.4Å; S114-S116 PolarHBondContact O-N 3.24Å
115	G	97.3	Very high	98.3	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.01	5%	0.054	C	C	.	.	S	Bend	trans	74.7	15.7	175.2	0	0	0	0	0	115.9	T112 H119	T112-G115 PolarHBondContact O-N 2.84Å; G115-H119 PolarHBondContact O-N 2.97Å; G115-H119 PolarHBondContact O-ND1 3.34Å
116	S	98.3	Very high	98.3	Very high	4 Å²	4	10.1 Å²	10.1	3%	0.028	6%	0.058	C	C	.	.	H	α-helix	trans	-60.2	-57.4	178.1	-175.7	0	0	0	0	111.4	T77 L87 S114	T77-S116 WeakPolarHBondContact CG2-OG 3.43Å; T77-S116 PolarHBondContact OG1-OG 2.92Å; L87-S116 PolarHBondContact O-OG 3.03Å; S114-S116 PolarHBondContact O-N 3.24Å
117	L	98.6	Very high	98.3	Very high	9 Å²	9	13.4 Å²	13.4	5%	0.047	8%	0.08	C	C	.	.	H	α-helix	trans	-66.2	-40.6	177.7	177.3	66	0	0	0	111.3	L87 I92 V95 H119 A120 I121 F179	L87-L117 HydrophobicContact CD1-CD2 4.32Å; I92-L117 HydrophobicContact CB-CD1 4.42Å; I92-L117 HydrophobicContact CG1-CD1 4.02Å; I92-L117 HydrophobicContact CG2-CD1 4.06Å; V95-L117 HydrophobicContact CG1-CD1 4.15Å; V95-L117 HydrophobicContact CG1-CD2 4.47Å; L117-H119 VanDerWaalsContact C-N 3.3Å; L117-H119 PolarHBondContact O-N 2.82Å; L117-A120 WeakPolarHBondContact O-CA 3.21Å; L117-A120 WeakPolarHBondContact O-CB 3.44Å; L117-A120 PolarHBondContact O-N 3.25Å; L117-I121 HydrophobicContact CD1-CD1 4.22Å; L117-I121 HydrophobicContact CD1-CG1 4.09Å; L117-I121 HydrophobicContact CD2-CD1 4.01Å; L117-I121 HydrophobicContact CG-CD1 3.68Å; L117-I121 HydrophobicContact CG-CG1 4.03Å; L117-I121 WeakPolarHBondContact O-CG1 3.41Å; L117-I121 PolarHBondContact O-N 3.41Å; L117-F179 HydrophobicContact CD2-CB 4.28Å; L117-F179 HydrophobicContact CD2-CD1 3.12Å; L117-F179 HydrophobicContact CD2-CD2 3.86Å; L117-F179 HydrophobicContact CD2-CE1 3.22Å; L117-F179 HydrophobicContact CD2-CE2 3.97Å; L117-F179 HydrophobicContact CD2-CG 3.46Å; L117-F179 VanDerWaalsContact CD2-CG 3.46Å; L117-F179 HydrophobicContact CD2-CZ 3.69Å
118	S	98.8	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-52.9	-44.7	179.1	-42.2	0	0	0	0	112.5	E109 A120 I121 L122	E109-S118 VanDerWaalsContact CD-OG 3.3Å; E109-S118 PolarHBondContact OE1-N 3.46Å; E109-S118 PolarHBondContact OE1-OG 3.04Å; E109-S118 WeakPolarHBondContact OE2-CB 3.49Å; E109-S118 PolarHBondContact OE2-OG 3.45Å; S118-A120 VanDerWaalsContact C-N 3.35Å; S118-A120 PolarHBondContact O-N 3.3Å; S118-I121 PolarHBondContact O-N 3.05Å; S118-L122 WeakPolarHBondContact O-CB 3.48Å; S118-L122 WeakPolarHBondContact O-CD1 3.44Å; S118-L122 WeakPolarHBondContact O-CG 3.37Å; S118-L122 PolarHBondContact O-N 3.07Å
119	H	98.6	Very high	98.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-37.1	177	-77	79.7	0	0	0	112.7	F3 P73 W76 G115 L117 R123 F148 H151	F3-H119 AromaticContact CD1-CD2 3.94Å; P73-H119 HydrophobicContact CB-CB 4.19Å; P73-H119 HydrophobicContact CG-CB 4.46Å; P73-H119 WeakPolarHBondContact CG-O 3.48Å; W76-H119 AromaticContact CD1-CG 3.75Å; W76-H119 AromaticContact CD1-ND1 3.7Å; W76-H119 AromaticContact NE1-CE1 3.58Å; W76-H119 AromaticContact NE1-CG 3.99Å; W76-H119 AromaticContact NE1-ND1 3.49Å; W76-H119 PolarHBondContact NE1-ND1 2.86Å; G115-H119 PolarHBondContact O-N 2.97Å; G115-H119 PolarHBondContact O-ND1 3.34Å; L117-H119 VanDerWaalsContact C-N 3.3Å; L117-H119 PolarHBondContact O-N 2.82Å; H119-R123 WeakPolarHBondContact O-CB 3.27Å; H119-R123 PolarHBondContact O-N 3.27Å; H119-R123 VanDerWaalsContact O-N 3.08Å; H119-F148 AromaticContact CE1-CD1 3.93Å; H119-F148 AromaticContact CE1-CE1 3.66Å; H119-H151 AromaticContact CD2-ND1 3.81Å; H119-H151 AromaticContact CE1-ND1 3.68Å; H119-H151 AromaticContact NE2-CE1 3.69Å; H119-H151 AromaticContact NE2-CG 3.89Å; H119-H151 AromaticContact NE2-ND1 2.84Å; H119-H151 PolarHBondContact NE2-ND1 2.81Å
120	A	98.8	Very high	98.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-68.7	-39.6	176.4	0	0	0	0	0	112.1	P73 I92 L117 S118 T124	P73-A120 HydrophobicContact CB-CB 4.15Å; I92-A120 HydrophobicContact CG2-CB 3.36Å; L117-A120 WeakPolarHBondContact O-CA 3.21Å; L117-A120 WeakPolarHBondContact O-CB 3.44Å; L117-A120 PolarHBondContact O-N 3.25Å; S118-A120 VanDerWaalsContact C-N 3.35Å; S118-A120 PolarHBondContact O-N 3.3Å; A120-T124 WeakPolarHBondContact O-CB 3.27Å; A120-T124 PolarHBondContact O-N 3.11Å; A120-T124 VanDerWaalsContact O-N 3.17Å; A120-T124 PolarHBondContact O-OG1 2.61Å
121	I	98.9	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-53.3	172.4	-68.1	170.1	0	0	0	109.4	L101 V107 L117 S118 R123 T124 I125 L131	L101-I121 HydrophobicContact CD1-CG1 3.92Å; L101-I121 HydrophobicContact CD1-CG2 4.47Å; V107-I121 HydrophobicContact CB-CG2 4.03Å; V107-I121 HydrophobicContact CG1-CD1 4.1Å; V107-I121 HydrophobicContact CG1-CG2 4.23Å; V107-I121 HydrophobicContact CG2-CG2 3.99Å; L117-I121 HydrophobicContact CD1-CD1 4.22Å; L117-I121 HydrophobicContact CD1-CG1 4.09Å; L117-I121 HydrophobicContact CD2-CD1 4.01Å; L117-I121 HydrophobicContact CG-CD1 3.68Å; L117-I121 HydrophobicContact CG-CG1 4.03Å; L117-I121 WeakPolarHBondContact O-CG1 3.41Å; L117-I121 PolarHBondContact O-N 3.41Å; S118-I121 PolarHBondContact O-N 3.05Å; I121-R123 VanDerWaalsContact C-N 3.32Å; I121-R123 PolarHBondContact O-N 3.34Å; I121-T124 WeakPolarHBondContact O-CA 3.38Å; I121-T124 WeakPolarHBondContact O-CB 3.41Å; I121-T124 PolarHBondContact O-N 3.45Å; I121-I125 HydrophobicContact CG2-CD1 3.88Å; I121-I125 HydrophobicContact CG2-CG1 4.43Å; I121-I125 HydrophobicContact CG2-CG2 3.99Å; I121-I125 WeakPolarHBondContact O-CG1 3.27Å; I121-I125 WeakPolarHBondContact O-CG2 3Å; I121-I125 PolarHBondContact O-N 3.18Å; I121-L131 HydrophobicContact CB-CD2 4.48Å; I121-L131 HydrophobicContact CD1-CD1 4.28Å; I121-L131 HydrophobicContact CG2-CD1 4.09Å; I121-L131 HydrophobicContact CG2-CD2 4.31Å
122	L	98.8	Very high	98.3	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-55	-46.1	-177.7	-72.2	165.7	0	0	0	112.3	S118 T124 I125 A126 L131 F148 V153 L156 V157	S118-L122 WeakPolarHBondContact O-CB 3.48Å; S118-L122 WeakPolarHBondContact O-CD1 3.44Å; S118-L122 WeakPolarHBondContact O-CG 3.37Å; S118-L122 PolarHBondContact O-N 3.07Å; L122-T124 VanDerWaalsContact C-N 3.26Å; L122-T124 PolarHBondContact O-N 3.17Å; L122-I125 PolarHBondContact O-N 2.72Å; L122-A126 VanDerWaalsContact O-CB 3.29Å; L122-A126 WeakPolarHBondContact O-CB 3.46Å; L122-A126 PolarHBondContact O-N 2.86Å; L122-L131 HydrophobicContact CD2-CB 4.02Å; L122-L131 HydrophobicContact CD2-CD2 4.3Å; L122-L131 HydrophobicContact CG-CD2 4.11Å; L122-F148 HydrophobicContact CD1-CD1 3.91Å; L122-F148 HydrophobicContact CD1-CE1 3.68Å; L122-F148 HydrophobicContact CD1-CZ 4.42Å; L122-V153 HydrophobicContact CD1-CB 4.2Å; L122-V153 HydrophobicContact CD1-CG2 3.84Å; L122-L156 HydrophobicContact CD2-CB 3.56Å; L122-V157 HydrophobicContact CD1-CB 4.43Å; L122-V157 HydrophobicContact CD1-CG1 4.45Å; L122-V157 HydrophobicContact CD2-CB 3.88Å; L122-V157 HydrophobicContact CD2-CG1 4.48Å
123	R	98.7	Very high	98.4	Very high	87 Å²	87	20.9 Å²	20.9	33%	0.328	12%	0.119	S	C	.	.	H	α-helix	trans	-62.2	-32.2	175.2	179.7	-90.5	-52.4	-92.2	-4.6	113.3	P73 E74 H119 I121	P73-R123 HydrophobicContact CG-CB 3.65Å; P73-R123 HydrophobicContact CG-CG 3.99Å; E74-R123 IonicContact OE1-CZ 2.71Å; E74-R123 IonicContact OE1-NH1 3.67Å; E74-R123 PolarHBondContact OE1-NH1 2.85Å; E74-R123 IonicContact OE1-NH2 3.45Å; E74-R123 PolarHBondContact OE1-NH2 2.91Å; E74-R123 IonicContact OE2-NH1 2.89Å; E74-R123 PolarHBondContact OE2-NH1 3.15Å; E74-R123 IonicContact OE2-NH2 3.32Å; H119-R123 WeakPolarHBondContact O-CB 3.27Å; H119-R123 PolarHBondContact O-N 3.27Å; H119-R123 VanDerWaalsContact O-N 3.08Å; I121-R123 VanDerWaalsContact C-N 3.32Å; I121-R123 PolarHBondContact O-N 3.34Å
124	T	98.8	Very high	98.5	Very high	24 Å²	24	20.4 Å²	20.4	15%	0.147	11%	0.114	C	C	.	.	H	α-helix	trans	-80.4	-36.5	-179.1	-54.6	0	0	0	0	112.4	T96 L101 K102 P103 A120 I121 L122	T96-T124 HydrophobicContact CG2-CG2 3.75Å; L101-T124 HydrophobicContact CB-CG2 3.73Å; L101-T124 WeakPolarHBondContact O-CG2 3.44Å; K102-T124 CarbonylContact C-O 3.6Å; P103-T124 WeakPolarHBondContact CD-O 3.49Å; P103-T124 VanDerWaalsContact N-O 3.09Å; A120-T124 WeakPolarHBondContact O-CB 3.27Å; A120-T124 PolarHBondContact O-N 3.11Å; A120-T124 VanDerWaalsContact O-N 3.17Å; A120-T124 PolarHBondContact O-OG1 2.61Å; I121-T124 WeakPolarHBondContact O-CA 3.38Å; I121-T124 WeakPolarHBondContact O-CB 3.41Å; I121-T124 PolarHBondContact O-N 3.45Å; L122-T124 VanDerWaalsContact C-N 3.26Å; L122-T124 PolarHBondContact O-N 3.17Å
125	I	98.8	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-91.7	-17.4	-173.6	73.2	179	0	0	0	113.6	K102 P103 G104 V107 I121 L122 G129 H130 L131	K102-I125 WeakPolarHBondContact O-CA 3.49Å; P103-I125 WeakPolarHBondContact CA-O 3.23Å; G104-I125 PolarHBondContact N-O 3.46Å; V107-I125 HydrophobicContact CG2-CG2 3.94Å; I121-I125 HydrophobicContact CG2-CD1 3.88Å; I121-I125 HydrophobicContact CG2-CG1 4.43Å; I121-I125 HydrophobicContact CG2-CG2 3.99Å; I121-I125 WeakPolarHBondContact O-CG1 3.27Å; I121-I125 WeakPolarHBondContact O-CG2 3Å; I121-I125 PolarHBondContact O-N 3.18Å; L122-I125 PolarHBondContact O-N 2.72Å; I125-G129 VanDerWaalsContact O-CA 3.32Å; I125-G129 WeakPolarHBondContact O-CA 3.46Å; I125-G129 PolarHBondContact O-N 3.46Å; I125-H130 VanDerWaalsContact CD1-C 3.47Å; I125-L131 HydrophobicContact CD1-CB 4.1Å
126	A	98.4	Very high	98.6	Very high	14 Å²	14	26.9 Å²	26.9	12%	0.116	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	151.6	173	0	0	0	0	0	111.9	I4 P103 L122 L156	I4-A126 HydrophobicContact CB-CB 4.03Å; I4-A126 HydrophobicContact CD1-CB 4.27Å; I4-A126 HydrophobicContact CG2-CB 3.88Å; P103-A126 WeakPolarHBondContact CB-O 3.3Å; L122-A126 VanDerWaalsContact O-CB 3.29Å; L122-A126 WeakPolarHBondContact O-CB 3.46Å; L122-A126 PolarHBondContact O-N 2.86Å; A126-L156 HydrophobicContact CB-CD1 3.75Å
127	P	97.9	Very high	98.6	Very high	98 Å²	98	30 Å²	30	64%	0.636	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92	-6	0.8	34	-31.8	0	0	0	114.1
128	T	98.5	Very high	98.5	Very high	108 Å²	108	35.1 Å²	35.1	66%	0.663	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-5.5	-168.4	49.4	0	0	0	0	114.8	G104	G104-T128 VanDerWaalsContact CA-OG1 3.29Å; G104-T128 WeakPolarHBondContact CA-OG1 3.49Å; G104-T128 PolarHBondContact N-OG1 3.33Å
129	G	98.7	Very high	98.5	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	21%	0.211	C	C	.	.			trans	-82.4	175.2	176.4	0	0	0	0	0	112.6	S105 I125 L156	S105-G129 VanDerWaalsContact O-CA 3.22Å; S105-G129 WeakPolarHBondContact O-CA 3.22Å; I125-G129 VanDerWaalsContact O-CA 3.32Å; I125-G129 WeakPolarHBondContact O-CA 3.46Å; I125-G129 PolarHBondContact O-N 3.46Å; G129-L156 WeakPolarHBondContact O-CD2 3.38Å
130	H	98.9	Very high	98.4	Very high	50 Å²	50	44.1 Å²	44.1	23%	0.231	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	139	176.9	-155.9	88.1	0	0	0	111.8	S105 V106 V107 I125 H132 L156 T158	S105-H130 PolarHBondContact O-N 3.38Å; V106-H130 CarbonylContact C-O 3.49Å; V106-H130 WeakPolarHBondContact CA-O 3.25Å; V107-H130 PolarHBondContact N-O 3.5Å; I125-H130 VanDerWaalsContact CD1-C 3.47Å; H130-H132 AromaticContact CD2-CE1 3.4Å; H130-H132 PolarHBondContact CD2-CE1 3.33Å; H130-H132 VanDerWaalsContact CD2-CE1 3.4Å; H130-H132 AromaticContact CD2-ND1 3.78Å; H130-H132 AromaticContact CD2-NE2 3.76Å; H130-H132 AromaticContact NE2-CE1 3.92Å; H130-L156 CarbonylContact C-O 3.57Å; H130-L156 WeakPolarHBondContact CA-O 3.09Å; H130-T158 PolarHBondContact NE2-OG1 3.12Å
131	L	98.9	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.3	175.8	176.2	58	0	0	0	110.4	V107 E109 I121 L122 I125 L156 V157 T158	V107-L131 HydrophobicContact CB-CD1 4.1Å; V107-L131 HydrophobicContact CG1-CD1 4.23Å; V107-L131 CarbonylContact O-C 3.19Å; V107-L131 WeakPolarHBondContact O-CA 3.37Å; E109-L131 HydrophobicContact CB-CD1 3.78Å; I121-L131 HydrophobicContact CB-CD2 4.48Å; I121-L131 HydrophobicContact CD1-CD1 4.28Å; I121-L131 HydrophobicContact CG2-CD1 4.09Å; I121-L131 HydrophobicContact CG2-CD2 4.31Å; L122-L131 HydrophobicContact CD2-CB 4.02Å; L122-L131 HydrophobicContact CD2-CD2 4.3Å; L122-L131 HydrophobicContact CG-CD2 4.11Å; I125-L131 HydrophobicContact CD1-CB 4.1Å; L131-L156 PolarHBondContact N-O 2.98Å; L131-V157 HydrophobicContact CB-CB 4.24Å; L131-V157 HydrophobicContact CB-CG2 4.05Å; L131-V157 HydrophobicContact CD2-CG2 3.97Å; L131-V157 HydrophobicContact CG-CG2 3.97Å; L131-V157 CarbonylContact O-C 3.57Å; L131-V157 VanDerWaalsContact O-CA 3.29Å; L131-V157 WeakPolarHBondContact O-CA 3.34Å; L131-T158 PolarHBondContact O-N 3.12Å
132	H	98.9	Very high	98.3	Very high	24 Å²	24	49 Å²	49	11%	0.111	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	100.6	167.3	-64	-63.5	0	0	0	109.1	V107 C108 E109 H130 R160 V171	V107-H132 PolarHBondContact O-N 2.97Å; C108-H132 CarbonylContact C-O 3.56Å; C108-H132 VanDerWaalsContact CA-O 3.26Å; C108-H132 WeakPolarHBondContact CA-O 3.43Å; E109-H132 PolarHBondContact N-O 3.22Å; H130-H132 AromaticContact CD2-CE1 3.4Å; H130-H132 PolarHBondContact CD2-CE1 3.33Å; H130-H132 VanDerWaalsContact CD2-CE1 3.4Å; H130-H132 AromaticContact CD2-ND1 3.78Å; H130-H132 AromaticContact CD2-NE2 3.76Å; H130-H132 AromaticContact NE2-CE1 3.92Å; H132-R160 PolarHBondContact ND1-NH1 3.19Å; H132-V171 HydrophobicContact CB-CG2 4.44Å
133	T	98.9	Very high	98.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.3	-179.3	-168.8	0	0	0	0	112.2	E109 T112 V157 T158 V159 R160	E109-T133 CarbonylContact O-C 3.57Å; E109-T133 VanDerWaalsContact O-CA 3.27Å; E109-T133 WeakPolarHBondContact O-CA 3.43Å; E109-T133 PolarHBondContact O-OG1 2.85Å; E109-T133 PolarHBondContact OE2-OG1 2.92Å; T112-T133 WeakPolarHBondContact CB-OG1 3.16Å; T112-T133 HydrophobicContact CG2-CG2 3.68Å; T112-T133 WeakPolarHBondContact OG1-CG2 3.38Å; T112-T133 PolarHBondContact OG1-OG1 3.36Å; T133-V157 HydrophobicContact CG2-CG2 3.97Å; T133-T158 PolarHBondContact N-O 3.25Å; T133-V159 HydrophobicContact CG2-CB 4.19Å; T133-V159 HydrophobicContact CG2-CG1 4.24Å; T133-V159 HydrophobicContact CG2-CG2 3.75Å; T133-V159 CarbonylContact O-C 3.53Å; T133-V159 WeakPolarHBondContact O-CA 3.19Å; T133-R160 PolarHBondContact O-N 3.32Å
134	V	98.9	Very high	98.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.4	-179.3	-179.4	0	0	0	0	110.3	E109 S110 G111 T112 R160 Q162 V164 F169	E109-V134 PolarHBondContact O-N 3.41Å; S110-V134 PolarHBondContact OG-O 2.95Å; G111-V134 WeakPolarHBondContact CA-O 3.5Å; T112-V134 PolarHBondContact N-O 3.48Å; V134-R160 WeakPolarHBondContact CA-O 3.11Å; V134-R160 HydrophobicContact CG2-CB 4.38Å; V134-Q162 HydrophobicContact CG1-CG 3.66Å; V134-Q162 WeakPolarHBondContact CG1-O 3.31Å; V134-V164 HydrophobicContact CB-CB 4.4Å; V134-V164 HydrophobicContact CG1-CB 4.05Å; V134-F169 HydrophobicContact CG2-CD1 3.97Å
135	E	98.4	Very high	98.1	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.023	25%	0.248	C	C	.	.			trans	-133.4	114.8	173.3	166.7	61.9	-105.6	0	0	109.5	T112 G113 H137 R140 A141 R160 N161	T112-E135 WeakPolarHBondContact OG1-CB 3.47Å; G113-E135 PolarHBondContact N-OE2 2.87Å; G113-E135 VanDerWaalsContact N-OE2 3.12Å; E135-H137 VanDerWaalsContact C-N 3.31Å; E135-H137 PolarHBondContact O-N 2.92Å; E135-H137 VanDerWaalsContact OE1-CB 3.28Å; E135-H137 WeakPolarHBondContact OE1-CB 3.34Å; E135-H137 PolarHBondContact OE1-N 2.82Å; E135-R140 VanDerWaalsContact CD-NE 3.32Å; E135-R140 HydrophobicContact CG-CB 3.78Å; E135-R140 IonicContact OE1-CZ 2.84Å; E135-R140 IonicContact OE1-NE 3.24Å; E135-R140 PolarHBondContact OE1-NE 3.18Å; E135-R140 IonicContact OE1-NH2 2.81Å; E135-R140 PolarHBondContact OE1-NH2 2.82Å; E135-R140 IonicContact OE2-CZ 3.95Å; E135-R140 IonicContact OE2-NE 2.64Å; E135-R140 PolarHBondContact OE2-NE 3.17Å; E135-R140 IonicContact OE2-NH2 3.16Å; E135-A141 HydrophobicContact CB-CB 4.13Å; E135-A141 HydrophobicContact CG-CB 4.02Å; E135-R160 PolarHBondContact N-O 3.26Å; E135-N161 VanDerWaalsContact O-CA 3.28Å; E135-N161 WeakPolarHBondContact O-CA 3.49Å; E135-N161 PolarHBondContact O-ND2 3Å
136	F	97.1	Very high	98	Very high	135 Å²	135	53.9 Å²	53.9	59%	0.592	27%	0.269	S	S	*	.	S	Bend	trans	-70.4	-25.2	-176	81.4	-71.1	0	0	0	113.4	Q138 R140 N161 Q162	F136-Q138 PolarHBondContact O-N 2.88Å; F136-R140 VanDerWaalsContact CE1-NH2 3.34Å; F136-N161 PolarHBondContact O-ND2 2.85Å; F136-Q162 VanDerWaalsContact CA-O 3.29Å; F136-Q162 WeakPolarHBondContact CA-O 3.38Å; F136-Q162 WeakPolarHBondContact CB-O 3.24Å; F136-Q162 PolarHBondContact N-O 3.43Å
137	H	97.9	Very high	97.9	Very high	69 Å²	69	53.5 Å²	53.5	32%	0.319	27%	0.265	S	S	.	.	S	Bend	trans	-87.5	110.4	-178.5	-169.5	-69.8	0	0	0	111.8	E135 Q139 R140 A141	E135-H137 VanDerWaalsContact C-N 3.31Å; E135-H137 PolarHBondContact O-N 2.92Å; E135-H137 VanDerWaalsContact OE1-CB 3.28Å; E135-H137 WeakPolarHBondContact OE1-CB 3.34Å; E135-H137 PolarHBondContact OE1-N 2.82Å; H137-Q139 PolarHBondContact O-N 2.66Å; H137-R140 HydrophobicContact CB-CB 4.47Å; H137-R140 PolarHBondContact O-N 3.49Å; H137-A141 PolarHBondContact O-N 3.07Å; H137-A141 VanDerWaalsContact O-N 3.09Å
138	Q	97.5	Very high	97.9	Very high	116 Å²	116	48.9 Å²	48.9	54%	0.542	24%	0.235	S	C	.	.	H	α-helix	trans	-48.8	-52.9	-171.6	-175.7	177.4	-4.8	0	0	114	F136 R140 A141 E142 N161	F136-Q138 PolarHBondContact O-N 2.88Å; Q138-R140 PolarHBondContact O-N 3.12Å; Q138-A141 WeakPolarHBondContact O-CB 3.4Å; Q138-A141 PolarHBondContact O-N 3.03Å; Q138-A141 VanDerWaalsContact O-N 3.1Å; Q138-E142 HydrophobicContact CG-CG 4.4Å; Q138-E142 VanDerWaalsContact CG-OE1 3.28Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.38Å; Q138-E142 PolarHBondContact NE2-OE1 2.84Å; Q138-E142 WeakPolarHBondContact O-CG 3.42Å; Q138-E142 PolarHBondContact O-N 3.49Å; Q138-N161 WeakPolarHBondContact CA-ND2 3.38Å; Q138-N161 PolarHBondContact N-ND2 2.86Å
139	Q	97.6	Very high	97.8	Very high	142 Å²	142	49.7 Å²	49.7	66%	0.664	23%	0.23	S	C	*	.	H	α-helix	trans	-60.2	-32.9	-178.1	-63.7	175.3	-7.7	0	0	113.3	H137 K143	H137-Q139 PolarHBondContact O-N 2.66Å; Q139-K143 WeakPolarHBondContact O-CB 3.4Å; Q139-K143 PolarHBondContact O-N 2.85Å; Q139-K143 VanDerWaalsContact O-N 3.1Å
140	R	97.2	Very high	97.6	Very high	49 Å²	49	52.8 Å²	52.8	19%	0.185	24%	0.243	C	C	.	.	H	α-helix	trans	-75.1	-40.4	177.6	-71.7	-163.2	-63.7	-92	0.1	110.8	E135 F136 H137 Q138 K143 V144	E135-R140 VanDerWaalsContact CD-NE 3.32Å; E135-R140 HydrophobicContact CG-CB 3.78Å; E135-R140 IonicContact OE1-CZ 2.84Å; E135-R140 IonicContact OE1-NE 3.24Å; E135-R140 PolarHBondContact OE1-NE 3.18Å; E135-R140 IonicContact OE1-NH2 2.81Å; E135-R140 PolarHBondContact OE1-NH2 2.82Å; E135-R140 IonicContact OE2-CZ 3.95Å; E135-R140 IonicContact OE2-NE 2.64Å; E135-R140 PolarHBondContact OE2-NE 3.17Å; E135-R140 IonicContact OE2-NH2 3.16Å; F136-R140 VanDerWaalsContact CE1-NH2 3.34Å; H137-R140 HydrophobicContact CB-CB 4.47Å; H137-R140 PolarHBondContact O-N 3.49Å; Q138-R140 PolarHBondContact O-N 3.12Å; R140-K143 PolarHBondContact O-N 3.22Å; R140-V144 PolarHBondContact O-N 3.32Å
141	A	97.8	Very high	97.5	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-45.1	175.4	0	0	0	0	0	111.5	E135 H137 Q138 V144 V145 V159 N161	E135-A141 HydrophobicContact CB-CB 4.13Å; E135-A141 HydrophobicContact CG-CB 4.02Å; H137-A141 PolarHBondContact O-N 3.07Å; H137-A141 VanDerWaalsContact O-N 3.09Å; Q138-A141 WeakPolarHBondContact O-CB 3.4Å; Q138-A141 PolarHBondContact O-N 3.03Å; Q138-A141 VanDerWaalsContact O-N 3.1Å; A141-V144 WeakPolarHBondContact O-CG1 3.42Å; A141-V145 VanDerWaalsContact O-CG2 3.25Å; A141-V145 WeakPolarHBondContact O-CG2 3.34Å; A141-V145 PolarHBondContact O-N 3.32Å; A141-V145 VanDerWaalsContact O-N 3.13Å; A141-V159 HydrophobicContact CB-CG1 4.18Å; A141-N161 HydrophobicContact CB-CB 4.01Å
142	E	97.9	Very high	97.4	Very high	98 Å²	98	55.9 Å²	55.9	46%	0.458	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-47.1	175.9	-71	169.1	178.2	0	0	111.2	Q138 V144 V145 E146	Q138-E142 HydrophobicContact CG-CG 4.4Å; Q138-E142 VanDerWaalsContact CG-OE1 3.28Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.38Å; Q138-E142 PolarHBondContact NE2-OE1 2.84Å; Q138-E142 WeakPolarHBondContact O-CG 3.42Å; Q138-E142 PolarHBondContact O-N 3.49Å; E142-V144 PolarHBondContact O-N 3.45Å; E142-V145 WeakPolarHBondContact O-CB 3.26Å; E142-V145 PolarHBondContact O-N 3.42Å; E142-E146 PolarHBondContact O-N 3.17Å; E142-E146 VanDerWaalsContact O-N 3.07Å
143	K	97.1	Very high	97.3	Very high	75 Å²	75	54.8 Å²	54.8	33%	0.326	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-42.9	-179.1	-170.6	69.8	-145.4	155.4	0	113	Q139 R140 V145 E146 E147	Q139-K143 WeakPolarHBondContact O-CB 3.4Å; Q139-K143 PolarHBondContact O-N 2.85Å; Q139-K143 VanDerWaalsContact O-N 3.1Å; R140-K143 PolarHBondContact O-N 3.22Å; K143-V145 VanDerWaalsContact C-N 3.34Å; K143-E146 IonicContact NZ-OE2 3.89Å; K143-E146 PolarHBondContact NZ-OE2 3.12Å; K143-E146 WeakPolarHBondContact O-CB 3.45Å; K143-E146 PolarHBondContact O-N 3Å; K143-E147 WeakPolarHBondContact O-CG 3.45Å; K143-E147 PolarHBondContact O-N 3.44Å
144	V	96.4	Very high	97.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-72.8	-30.1	-179.1	84.4	0	0	0	0	111.8	T112 R140 A141 E142 E147 F148 V159	T112-V144 HydrophobicContact CG2-CB 4.37Å; T112-V144 HydrophobicContact CG2-CG1 3.76Å; T112-V144 HydrophobicContact CG2-CG2 4Å; R140-V144 PolarHBondContact O-N 3.32Å; A141-V144 WeakPolarHBondContact O-CG1 3.42Å; E142-V144 PolarHBondContact O-N 3.45Å; V144-E147 PolarHBondContact O-N 2.94Å; V144-F148 HydrophobicContact CB-CE2 4.28Å; V144-F148 HydrophobicContact CG1-CD2 4.39Å; V144-F148 HydrophobicContact CG1-CE2 3.88Å; V144-F148 HydrophobicContact CG2-CD2 4.27Å; V144-F148 HydrophobicContact CG2-CE1 4.19Å; V144-F148 HydrophobicContact CG2-CE2 3.65Å; V144-F148 HydrophobicContact CG2-CZ 3.6Å; V144-F148 WeakPolarHBondContact O-CD2 3.44Å; V144-F148 VanDerWaalsContact O-CG 3.25Å; V144-F148 WeakPolarHBondContact O-CG 3.41Å; V144-F148 PolarHBondContact O-N 2.8Å; V144-V159 HydrophobicContact CG1-CG1 4.08Å; V144-V159 HydrophobicContact CG1-CG2 4.07Å
145	V	98.1	Very high	97.2	Very high	46 Å²	46	63.7 Å²	63.7	28%	0.279	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-42.3	171.1	167.9	0	0	0	0	111.2	A141 E142 K143 K149 V159	A141-V145 VanDerWaalsContact O-CG2 3.25Å; A141-V145 WeakPolarHBondContact O-CG2 3.34Å; A141-V145 PolarHBondContact O-N 3.32Å; A141-V145 VanDerWaalsContact O-N 3.13Å; E142-V145 WeakPolarHBondContact O-CB 3.26Å; E142-V145 PolarHBondContact O-N 3.42Å; K143-V145 VanDerWaalsContact C-N 3.34Å; V145-K149 HydrophobicContact CG1-CD 4.38Å; V145-K149 WeakPolarHBondContact O-CG 3.43Å; V145-K149 PolarHBondContact O-N 3.31Å; V145-K149 VanDerWaalsContact O-N 3.17Å; V145-V159 HydrophobicContact CG2-CB 3.58Å; V145-V159 HydrophobicContact CG2-CG1 4.06Å; V145-V159 HydrophobicContact CG2-CG2 3.6Å
146	E	96.9	Very high	97.2	Very high	94 Å²	94	63.8 Å²	63.8	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-48.8	172.9	-67.2	172.8	177.7	0	0	111	E142 K143 F148 K149 E150	E142-E146 PolarHBondContact O-N 3.17Å; E142-E146 VanDerWaalsContact O-N 3.07Å; K143-E146 IonicContact NZ-OE2 3.89Å; K143-E146 PolarHBondContact NZ-OE2 3.12Å; K143-E146 WeakPolarHBondContact O-CB 3.45Å; K143-E146 PolarHBondContact O-N 3Å; E146-F148 PolarHBondContact O-N 2.87Å; E146-K149 WeakPolarHBondContact O-CB 3.34Å; E146-K149 PolarHBondContact O-N 3.29Å; E146-E150 WeakPolarHBondContact O-CG 3.27Å; E146-E150 PolarHBondContact O-N 3.46Å
147	E	96.4	Very high	97.2	Very high	6 Å²	6	58 Å²	58	3%	0.028	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-44.9	179.2	-72.3	172.2	174.7	0	0	111.7	R83 K143 V144 K149 E150 H151	R83-E147 IonicContact CZ-OE1 3.48Å; R83-E147 IonicContact CZ-OE2 3.01Å; R83-E147 IonicContact NH1-OE1 2.83Å; R83-E147 PolarHBondContact NH1-OE1 3.01Å; R83-E147 IonicContact NH1-OE2 3.98Å; R83-E147 IonicContact NH2-OE1 3.72Å; R83-E147 PolarHBondContact NH2-OE1 2.8Å; R83-E147 IonicContact NH2-OE2 3.31Å; R83-E147 PolarHBondContact NH2-OE2 3.19Å; K143-E147 WeakPolarHBondContact O-CG 3.45Å; K143-E147 PolarHBondContact O-N 3.44Å; V144-E147 PolarHBondContact O-N 2.94Å; E147-K149 VanDerWaalsContact C-N 3.3Å; E147-K149 PolarHBondContact O-N 3.49Å; E147-E150 PolarHBondContact O-N 3.2Å; E147-H151 VanDerWaalsContact O-CB 3.22Å; E147-H151 WeakPolarHBondContact O-CB 3.48Å; E147-H151 PolarHBondContact O-CD2 2.82Å; E147-H151 PolarHBondContact O-N 2.71Å; E147-H151 PolarHBondContact O-ND1 2.92Å
148	F	97.7	Very high	97.3	Very high	2 Å²	2	57 Å²	57	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-36.7	177.7	-66.2	-41.5	0	0	0	113	T112 H119 L122 V144 E146 R152 V153 D154 V157 V159	T112-F148 HydrophobicContact CG2-CE2 4.49Å; T112-F148 HydrophobicContact CG2-CZ 4.42Å; H119-F148 AromaticContact CE1-CD1 3.93Å; H119-F148 AromaticContact CE1-CE1 3.66Å; L122-F148 HydrophobicContact CD1-CD1 3.91Å; L122-F148 HydrophobicContact CD1-CE1 3.68Å; L122-F148 HydrophobicContact CD1-CZ 4.42Å; V144-F148 HydrophobicContact CB-CE2 4.28Å; V144-F148 HydrophobicContact CG1-CD2 4.39Å; V144-F148 HydrophobicContact CG1-CE2 3.88Å; V144-F148 HydrophobicContact CG2-CD2 4.27Å; V144-F148 HydrophobicContact CG2-CE1 4.19Å; V144-F148 HydrophobicContact CG2-CE2 3.65Å; V144-F148 HydrophobicContact CG2-CZ 3.6Å; V144-F148 WeakPolarHBondContact O-CD2 3.44Å; V144-F148 VanDerWaalsContact O-CG 3.25Å; V144-F148 WeakPolarHBondContact O-CG 3.41Å; V144-F148 PolarHBondContact O-N 2.8Å; E146-F148 PolarHBondContact O-N 2.87Å; F148-R152 PolarHBondContact O-N 2.74Å; F148-R152 VanDerWaalsContact O-N 3.12Å; F148-V153 HydrophobicContact CB-CG2 4.13Å; F148-V153 HydrophobicContact CD1-CG2 3.82Å; F148-V153 HydrophobicContact CG-CG2 4.39Å; F148-V153 PolarHBondContact O-N 3.1Å; F148-D154 HydrophobicContact CB-CB 4.28Å; F148-D154 PolarHBondContact O-N 3.42Å; F148-V157 HydrophobicContact CB-CG1 3.95Å; F148-V157 HydrophobicContact CD1-CG1 4.3Å; F148-V157 HydrophobicContact CD2-CG1 3.61Å; F148-V157 HydrophobicContact CD2-CG2 4.17Å; F148-V157 HydrophobicContact CE2-CG1 4.13Å; F148-V157 HydrophobicContact CE2-CG2 3.86Å; F148-V157 HydrophobicContact CG-CG1 3.71Å; F148-V157 HydrophobicContact CZ-CG2 4.33Å; F148-V159 HydrophobicContact CD2-CG2 3.79Å; F148-V159 HydrophobicContact CE2-CG2 3.62Å
149	K	96.6	Very high	97.3	Very high	125 Å²	125	53 Å²	53	54%	0.543	25%	0.25	S	C	.	.	H	α-helix	trans	-69	-46.6	174.3	-71.6	173.6	-179.6	177.9	0	111.4	V145 E146 E147 H151 R152 D154	V145-K149 HydrophobicContact CG1-CD 4.38Å; V145-K149 WeakPolarHBondContact O-CG 3.43Å; V145-K149 PolarHBondContact O-N 3.31Å; V145-K149 VanDerWaalsContact O-N 3.17Å; E146-K149 WeakPolarHBondContact O-CB 3.34Å; E146-K149 PolarHBondContact O-N 3.29Å; E147-K149 VanDerWaalsContact C-N 3.3Å; E147-K149 PolarHBondContact O-N 3.49Å; K149-H151 PolarHBondContact O-N 3.15Å; K149-R152 PolarHBondContact O-N 3.38Å; K149-D154 HydrophobicContact CG-CB 3.81Å
150	E	94.4	Very high	97.4	Very high	68 Å²	68	48.9 Å²	48.9	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-59.2	-37.1	177.1	-71.7	-174.4	160.3	0	0	111.6	K29 E146 E147 R152	K29-E150 VanDerWaalsContact NZ-CD 3.32Å; K29-E150 IonicContact NZ-OE1 2.76Å; K29-E150 PolarHBondContact NZ-OE1 3.23Å; K29-E150 IonicContact NZ-OE2 2.69Å; E146-E150 WeakPolarHBondContact O-CG 3.27Å; E146-E150 PolarHBondContact O-N 3.46Å; E147-E150 PolarHBondContact O-N 3.2Å; E150-R152 VanDerWaalsContact C-N 3.29Å; E150-R152 PolarHBondContact O-N 3.27Å
151	H	96.6	Very high	97.5	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.023	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	0.3	179.6	-61.1	170.9	0	0	0	113.7	F3 W76 H119 E147 K149 V153	F3-H151 HydrophobicContact CD2-CB 3.73Å; F3-H151 AromaticContact CD2-CG 3.91Å; F3-H151 HydrophobicContact CE2-CB 3.88Å; F3-H151 AromaticContact CE2-CD2 3.91Å; F3-H151 AromaticContact CE2-CG 3.52Å; F3-H151 AromaticContact CE2-ND1 3.62Å; W76-H151 AromaticContact CE2-CE1 3.87Å; W76-H151 AromaticContact CH2-CE1 3.58Å; W76-H151 AromaticContact CH2-NE2 3.94Å; W76-H151 AromaticContact CZ2-CE1 3.58Å; W76-H151 AromaticContact CZ3-CE1 3.9Å; H119-H151 AromaticContact CD2-ND1 3.81Å; H119-H151 AromaticContact CE1-ND1 3.68Å; H119-H151 AromaticContact NE2-CE1 3.69Å; H119-H151 AromaticContact NE2-CG 3.89Å; H119-H151 AromaticContact NE2-ND1 2.84Å; H119-H151 PolarHBondContact NE2-ND1 2.81Å; E147-H151 VanDerWaalsContact O-CB 3.22Å; E147-H151 WeakPolarHBondContact O-CB 3.48Å; E147-H151 PolarHBondContact O-CD2 2.82Å; E147-H151 PolarHBondContact O-N 2.71Å; E147-H151 PolarHBondContact O-ND1 2.92Å; K149-H151 PolarHBondContact O-N 3.15Å; H151-V153 VanDerWaalsContact C-N 3.3Å; H151-V153 HydrophobicContact CB-CG2 4.1Å; H151-V153 PolarHBondContact O-N 3.03Å
152	R	96.4	Very high	97.4	Very high	110 Å²	110	52.4 Å²	52.4	42%	0.415	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	39	177.9	-49.3	-174.2	-172.3	176.6	2.6	113.4	M1 F148 K149 E150 H155	M1-R152 VanDerWaalsContact N-NH1 3.14Å; M1-R152 WeakPolarHBondContact O-CD 3.28Å; F148-R152 PolarHBondContact O-N 2.74Å; F148-R152 VanDerWaalsContact O-N 3.12Å; K149-R152 PolarHBondContact O-N 3.38Å; E150-R152 VanDerWaalsContact C-N 3.29Å; E150-R152 PolarHBondContact O-N 3.27Å; R152-H155 PolarHBondContact O-CE1 3.07Å; R152-H155 VanDerWaalsContact O-CE1 3.26Å; R152-H155 PolarHBondContact O-ND1 2.74Å
153	V	97.4	Very high	97.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.			trans	-121.3	3	177.5	-65.1	0	0	0	0	112.7	F3 I4 L122 F148 H151 H155 L156	F3-V153 HydrophobicContact CB-CG1 4.22Å; I4-V153 HydrophobicContact CG2-CG1 4.06Å; L122-V153 HydrophobicContact CD1-CB 4.2Å; L122-V153 HydrophobicContact CD1-CG2 3.84Å; F148-V153 HydrophobicContact CB-CG2 4.13Å; F148-V153 HydrophobicContact CD1-CG2 3.82Å; F148-V153 HydrophobicContact CG-CG2 4.39Å; F148-V153 PolarHBondContact O-N 3.1Å; H151-V153 VanDerWaalsContact C-N 3.3Å; H151-V153 HydrophobicContact CB-CG2 4.1Å; H151-V153 PolarHBondContact O-N 3.03Å; V153-H155 PolarHBondContact O-N 3.49Å; V153-L156 PolarHBondContact O-N 2.78Å
154	D	97.6	Very high	97.5	Very high	73 Å²	73	46.8 Å²	46.8	39%	0.39	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-58.6	-27.7	-179.9	62.9	-52.2	0	0	0	113.7	F148 K149 L156 V157	F148-D154 HydrophobicContact CB-CB 4.28Å; F148-D154 PolarHBondContact O-N 3.42Å; K149-D154 HydrophobicContact CG-CB 3.81Å; D154-L156 PolarHBondContact O-N 2.95Å; D154-V157 PolarHBondContact O-N 3.49Å
155	H	97.8	Very high	97.6	Very high	115 Å²	115	48 Å²	48	53%	0.532	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-67	-17.8	174.8	64.5	-79.1	0	0	0	114.4	R152 V153	R152-H155 PolarHBondContact O-CE1 3.07Å; R152-H155 VanDerWaalsContact O-CE1 3.26Å; R152-H155 PolarHBondContact O-ND1 2.74Å; V153-H155 PolarHBondContact O-N 3.49Å
156	L	98.4	Very high	97.6	Very high	6 Å²	6	53 Å²	53	3%	0.031	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-101.9	0.4	178.8	-64.7	172.4	0	0	0	113	I4 L122 A126 G129 H130 L131 V153 D154	I4-L156 HydrophobicContact CD1-CD1 3.93Å; I4-L156 HydrophobicContact CG2-CD1 4.33Å; L122-L156 HydrophobicContact CD2-CB 3.56Å; A126-L156 HydrophobicContact CB-CD1 3.75Å; G129-L156 WeakPolarHBondContact O-CD2 3.38Å; H130-L156 CarbonylContact C-O 3.57Å; H130-L156 WeakPolarHBondContact CA-O 3.09Å; L131-L156 PolarHBondContact N-O 2.98Å; V153-L156 PolarHBondContact O-N 2.78Å; D154-L156 PolarHBondContact O-N 2.95Å
157	V	98.8	Very high	97.6	Very high	13 Å²	13	53.4 Å²	53.4	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.1	-172.9	60.6	0	0	0	0	112.5	L122 L131 T133 F148 D154 V159	L122-V157 HydrophobicContact CD1-CB 4.43Å; L122-V157 HydrophobicContact CD1-CG1 4.45Å; L122-V157 HydrophobicContact CD2-CB 3.88Å; L122-V157 HydrophobicContact CD2-CG1 4.48Å; L131-V157 HydrophobicContact CB-CB 4.24Å; L131-V157 HydrophobicContact CB-CG2 4.05Å; L131-V157 HydrophobicContact CD2-CG2 3.97Å; L131-V157 HydrophobicContact CG-CG2 3.97Å; L131-V157 CarbonylContact O-C 3.57Å; L131-V157 VanDerWaalsContact O-CA 3.29Å; L131-V157 WeakPolarHBondContact O-CA 3.34Å; T133-V157 HydrophobicContact CG2-CG2 3.97Å; F148-V157 HydrophobicContact CB-CG1 3.95Å; F148-V157 HydrophobicContact CD1-CG1 4.3Å; F148-V157 HydrophobicContact CD2-CG1 3.61Å; F148-V157 HydrophobicContact CD2-CG2 4.17Å; F148-V157 HydrophobicContact CE2-CG1 4.13Å; F148-V157 HydrophobicContact CE2-CG2 3.86Å; F148-V157 HydrophobicContact CG-CG1 3.71Å; F148-V157 HydrophobicContact CZ-CG2 4.33Å; D154-V157 PolarHBondContact O-N 3.49Å; V157-V159 HydrophobicContact CG2-CG2 4.25Å
158	T	98.8	Very high	97.7	Very high	50 Å²	50	53.2 Å²	53.2	31%	0.307	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.3	167.9	-55.7	0	0	0	0	108.8	H130 L131 T133 R160	H130-T158 PolarHBondContact NE2-OG1 3.12Å; L131-T158 PolarHBondContact O-N 3.12Å; T133-T158 PolarHBondContact N-O 3.25Å; T158-R160 HydrophobicContact CG2-CG 4.48Å
159	V	98.7	Very high	97.8	Very high	30 Å²	30	53.3 Å²	53.3	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.1	175.1	-172.3	0	0	0	0	108.8	T133 A141 V144 V145 F148 V157	T133-V159 HydrophobicContact CG2-CB 4.19Å; T133-V159 HydrophobicContact CG2-CG1 4.24Å; T133-V159 HydrophobicContact CG2-CG2 3.75Å; T133-V159 CarbonylContact O-C 3.53Å; T133-V159 WeakPolarHBondContact O-CA 3.19Å; A141-V159 HydrophobicContact CB-CG1 4.18Å; V144-V159 HydrophobicContact CG1-CG1 4.08Å; V144-V159 HydrophobicContact CG1-CG2 4.07Å; V145-V159 HydrophobicContact CG2-CB 3.58Å; V145-V159 HydrophobicContact CG2-CG1 4.06Å; V145-V159 HydrophobicContact CG2-CG2 3.6Å; F148-V159 HydrophobicContact CD2-CG2 3.79Å; F148-V159 HydrophobicContact CE2-CG2 3.62Å; V157-V159 HydrophobicContact CG2-CG2 4.25Å
160	R	98.6	Very high	97.8	Very high	57 Å²	57	49.5 Å²	49.5	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.2	172.6	-63.4	-174.4	177.8	84.3	3.1	110.5	H132 T133 V134 E135 T158 Q162 F169 G170	H132-R160 PolarHBondContact ND1-NH1 3.19Å; T133-R160 PolarHBondContact O-N 3.32Å; V134-R160 WeakPolarHBondContact CA-O 3.11Å; V134-R160 HydrophobicContact CG2-CB 4.38Å; E135-R160 PolarHBondContact N-O 3.26Å; T158-R160 HydrophobicContact CG2-CG 4.48Å; R160-Q162 HydrophobicContact CB-CG 4.07Å; R160-Q162 PolarHBondContact O-N 2.95Å; R160-F169 PolarHBondContact NH1-O 2.84Å; R160-G170 PolarHBondContact NH2-O 3.31Å
161	N	98.3	Very high	98	Very high	78 Å²	78	47.5 Å²	47.5	42%	0.417	25%	0.246	S	C	.	.			trans	-92.4	89.6	173.5	-179	-121.5	0	0	0	110.4	E135 F136 Q138 A141	E135-N161 VanDerWaalsContact O-CA 3.28Å; E135-N161 WeakPolarHBondContact O-CA 3.49Å; E135-N161 PolarHBondContact O-ND2 3Å; F136-N161 PolarHBondContact O-ND2 2.85Å; Q138-N161 WeakPolarHBondContact CA-ND2 3.38Å; Q138-N161 PolarHBondContact N-ND2 2.86Å; A141-N161 HydrophobicContact CB-CB 4.01Å
162	Q	97.6	Very high	98.1	Very high	50 Å²	50	52.7 Å²	52.7	23%	0.234	28%	0.278	C	S	.	.	S	Bend	trans	-158.1	171	-177.4	60.7	-172.2	71.2	0	0	111	V134 F136 R160 D167 G168	V134-Q162 HydrophobicContact CG1-CG 3.66Å; V134-Q162 WeakPolarHBondContact CG1-O 3.31Å; F136-Q162 VanDerWaalsContact CA-O 3.29Å; F136-Q162 WeakPolarHBondContact CA-O 3.38Å; F136-Q162 WeakPolarHBondContact CB-O 3.24Å; F136-Q162 PolarHBondContact N-O 3.43Å; R160-Q162 HydrophobicContact CB-CG 4.07Å; R160-Q162 PolarHBondContact O-N 2.95Å; Q162-D167 HydrophobicContact CB-CB 4.43Å; Q162-G168 PolarHBondContact NE2-O 3.34Å
163	D	98.2	Very high	98.1	Very high	49 Å²	49	49 Å²	49	26%	0.262	28%	0.275	S	S	.	.			trans	-90.1	109.3	176.8	-175.2	-15.8	0	0	0	109.7	C165 K166 D167	D163-C165 PolarHBondContact O-N 3.32Å; D163-C165 WeakPolarHBondContact OD1-CB 2.75Å; D163-C165 PolarHBondContact OD1-N 3.42Å; D163-K166 HydrophobicContact CB-CB 4.28Å; D163-K166 HydrophobicContact CB-CD 4.29Å; D163-K166 HydrophobicContact CB-CG 4.4Å; D163-K166 PolarHBondContact O-N 3.37Å; D163-K166 VanDerWaalsContact O-N 3.12Å; D163-K166 VanDerWaalsContact OD2-CD 3.32Å; D163-K166 WeakPolarHBondContact OD2-CD 3.5Å; D163-K166 VanDerWaalsContact OD2-CE 3.23Å; D163-K166 WeakPolarHBondContact OD2-CE 3.49Å; D163-K166 IonicContact OD2-NZ 2.73Å; D163-K166 PolarHBondContact OD2-NZ 2.95Å; D163-D167 PolarHBondContact O-N 3.24Å
164	V	98.6	Very high	98.2	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-26.2	-178.2	72.3	0	0	0	0	112.9	S110 V134 K166 G168 F169 I182 A188 H191	S110-V164 WeakPolarHBondContact OG-CG1 3.47Å; V134-V164 HydrophobicContact CB-CB 4.4Å; V134-V164 HydrophobicContact CG1-CB 4.05Å; V164-K166 VanDerWaalsContact C-N 3.29Å; V164-K166 PolarHBondContact O-N 2.84Å; V164-G168 VanDerWaalsContact O-CA 3.27Å; V164-G168 WeakPolarHBondContact O-CA 3.35Å; V164-G168 PolarHBondContact O-N 3.39Å; V164-F169 HydrophobicContact CG2-CD1 4.03Å; V164-F169 HydrophobicContact CG2-CD2 4.11Å; V164-F169 HydrophobicContact CG2-CE1 3.77Å; V164-F169 HydrophobicContact CG2-CE2 3.83Å; V164-F169 HydrophobicContact CG2-CG 4.22Å; V164-F169 HydrophobicContact CG2-CZ 3.67Å; V164-I182 HydrophobicContact CG1-CD1 3.56Å; V164-I182 HydrophobicContact CG1-CG2 4.4Å; V164-A188 HydrophobicContact CG1-CB 4.25Å; V164-H191 PolarHBondContact O-CD2 2.71Å
165	C	98.2	Very high	98.2	Very high	24 Å²	24	48.3 Å²	48.3	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-75.7	-19.7	179.1	-66.6	0	0	0	0	112.6	D163 E187 H191	D163-C165 PolarHBondContact O-N 3.32Å; D163-C165 WeakPolarHBondContact OD1-CB 2.75Å; D163-C165 PolarHBondContact OD1-N 3.42Å; C165-E187 HydrophobicContact CB-CB 3.93Å; C165-H191 PolarHBondContact O-NE2 2.92Å
166	K	97.6	Very high	98.3	Very high	153 Å²	153	45 Å²	45	67%	0.665	26%	0.259	S	S	*	.	H	α-helix	trans	-107.6	-47.6	-179.8	-64.1	177.7	-173.6	159.6	0	112.3	D163 V164 H191	D163-K166 HydrophobicContact CB-CB 4.28Å; D163-K166 HydrophobicContact CB-CD 4.29Å; D163-K166 HydrophobicContact CB-CG 4.4Å; D163-K166 PolarHBondContact O-N 3.37Å; D163-K166 VanDerWaalsContact O-N 3.12Å; D163-K166 VanDerWaalsContact OD2-CD 3.32Å; D163-K166 WeakPolarHBondContact OD2-CD 3.5Å; D163-K166 VanDerWaalsContact OD2-CE 3.23Å; D163-K166 WeakPolarHBondContact OD2-CE 3.49Å; D163-K166 IonicContact OD2-NZ 2.73Å; D163-K166 PolarHBondContact OD2-NZ 2.95Å; V164-K166 VanDerWaalsContact C-N 3.29Å; V164-K166 PolarHBondContact O-N 2.84Å; K166-H191 PolarHBondContact O-CE1 3.45Å
167	D	97.9	Very high	98.3	Very high	101 Å²	101	44.8 Å²	44.8	54%	0.54	26%	0.258	S	S	.	.	H	α-helix	trans	-104.9	-9.6	-168.7	-52.9	-51.7	0	0	0	112.2	Q162 D163	Q162-D167 HydrophobicContact CB-CB 4.43Å; D163-D167 PolarHBondContact O-N 3.24Å
168	G	98.2	Very high	98.3	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-156.5	-176.5	0	0	0	0	0	113.9	Q162 V164	Q162-G168 PolarHBondContact NE2-O 3.34Å; V164-G168 VanDerWaalsContact O-CA 3.27Å; V164-G168 WeakPolarHBondContact O-CA 3.35Å; V164-G168 PolarHBondContact O-N 3.39Å
169	F	98.5	Very high	98.3	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.2	-173.8	-67.4	-83.8	0	0	0	114.6	C108 V134 R160 V164 V171 V178 L180 A192 A195	C108-F169 HydrophobicContact CB-CB 4.39Å; C108-F169 HydrophobicContact CB-CD1 3.54Å; C108-F169 HydrophobicContact CB-CD2 4.33Å; C108-F169 HydrophobicContact CB-CE1 3.76Å; C108-F169 HydrophobicContact CB-CG 3.83Å; C108-F169 HydrophobicContact CB-CZ 4.25Å; V134-F169 HydrophobicContact CG2-CD1 3.97Å; R160-F169 PolarHBondContact NH1-O 2.84Å; V164-F169 HydrophobicContact CG2-CD1 4.03Å; V164-F169 HydrophobicContact CG2-CD2 4.11Å; V164-F169 HydrophobicContact CG2-CE1 3.77Å; V164-F169 HydrophobicContact CG2-CE2 3.83Å; V164-F169 HydrophobicContact CG2-CG 4.22Å; V164-F169 HydrophobicContact CG2-CZ 3.67Å; F169-V171 HydrophobicContact CB-CG2 4.03Å; F169-V171 PolarHBondContact O-N 2.89Å; F169-V178 HydrophobicContact CE1-CG1 4.29Å; F169-V178 HydrophobicContact CE2-CG1 3.87Å; F169-V178 HydrophobicContact CZ-CG1 3.48Å; F169-V178 VanDerWaalsContact CZ-CG1 3.48Å; F169-L180 HydrophobicContact CZ-CD2 3.76Å; F169-A192 HydrophobicContact CE2-CB 4.15Å; F169-A195 HydrophobicContact CB-CB 4.24Å; F169-A195 HydrophobicContact CD2-CB 3.82Å; F169-A195 HydrophobicContact CG-CB 4.3Å
170	G	97.6	Very high	98.3	Very high	45 Å²	45	40.4 Å²	40.4	46%	0.464	23%	0.231	S	C	.	.	S	Bend	trans	67.7	15.3	-173	0	0	0	0	0	114.2	R160	R160-G170 PolarHBondContact NH2-O 3.31Å
171	V	98.2	Very high	98.3	Very high	27 Å²	27	40.2 Å²	40.2	16%	0.164	23%	0.234	C	C	.	.			trans	-140.9	157.4	174.9	-63	0	0	0	0	110.2	C108 H132 F169 V174 A195	C108-V171 VanDerWaalsContact SG-CG2 3.58Å; H132-V171 HydrophobicContact CB-CG2 4.44Å; F169-V171 HydrophobicContact CB-CG2 4.03Å; F169-V171 PolarHBondContact O-N 2.89Å; V171-V174 HydrophobicContact CB-CG2 3.65Å; V171-V174 HydrophobicContact CG1-CG2 4.34Å; V171-V174 HydrophobicContact CG2-CG2 3.7Å; V171-A195 HydrophobicContact CG2-CB 4.35Å
172	T	98.1	Very high	98.3	Very high	113 Å²	113	37.7 Å²	37.7	69%	0.693	22%	0.22	S	C	*	.			trans	-143.7	131.1	-177.5	-59.6	0	0	0	0	110.1	V174 A194	T172-V174 VanDerWaalsContact C-N 3.3Å; T172-V174 PolarHBondContact O-N 2.79Å; T172-A194 CarbonylContact C-O 3.52Å; T172-A194 WeakPolarHBondContact CA-O 3.32Å; T172-A194 WeakPolarHBondContact CG2-O 3.33Å
173	G	98	Very high	98.3	Very high	34 Å²	34	40 Å²	40	35%	0.351	24%	0.24	S	C	.	.	S	Bend	trans	70.8	17	173.6	0	0	0	0	0	115.8	A194 A195 M196 K197	G173-A194 PolarHBondContact N-O 3.49Å; G173-A195 CarbonylContact C-O 3.51Å; G173-A195 PolarHBondContact N-O 3.39Å; G173-A195 VanDerWaalsContact N-O 3.13Å; G173-M196 WeakPolarHBondContact CA-O 3.38Å; G173-K197 WeakPolarHBondContact O-CG 3.25Å
174	V	98.3	Very high	98.3	Very high	57 Å²	57	39.3 Å²	39.3	35%	0.345	24%	0.239	S	C	.	.			trans	-115.1	-24	-173.4	-59.9	0	0	0	0	114.5	V106 V171 T172 A195 K197	V106-V174 WeakPolarHBondContact CB-O 3.47Å; V106-V174 HydrophobicContact CG1-CG2 4.24Å; V171-V174 HydrophobicContact CB-CG2 3.65Å; V171-V174 HydrophobicContact CG1-CG2 4.34Å; V171-V174 HydrophobicContact CG2-CG2 3.7Å; T172-V174 VanDerWaalsContact C-N 3.3Å; T172-V174 PolarHBondContact O-N 2.79Å; V174-A195 PolarHBondContact N-O 3.38Å; V174-K197 WeakPolarHBondContact O-CE 3.47Å
175	A	98.7	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-82.7	136	-171.7	0	0	0	0	0	112.5	V106 C108 A195 M196 K197	V106-A175 CarbonylContact O-C 3.6Å; V106-A175 WeakPolarHBondContact O-CA 3.22Å; C108-A175 HydrophobicContact CB-CB 4.34Å; A175-A195 PolarHBondContact N-O 2.86Å; A175-M196 CarbonylContact O-C 3.56Å; A175-M196 VanDerWaalsContact O-CA 3.25Å; A175-M196 WeakPolarHBondContact O-CA 3.31Å; A175-K197 PolarHBondContact O-N 2.76Å
176	D	98.8	Very high	98.3	Very high	47 Å²	47	40.1 Å²	40.1	25%	0.251	24%	0.238	S	C	.	.	S	Bend	trans	-80.4	-34.2	167.4	-63.1	-66.5	0	0	0	111	V106 K197 G201 R202	V106-D176 PolarHBondContact N-OD2 2.78Å; V106-D176 PolarHBondContact O-N 3.22Å; D176-K197 WeakPolarHBondContact OD1-CD 3.48Å; D176-K197 VanDerWaalsContact OD1-CE 3.26Å; D176-K197 WeakPolarHBondContact OD1-CE 3.39Å; D176-K197 IonicContact OD1-NZ 3.63Å; D176-K197 PolarHBondContact OD1-NZ 3.28Å; D176-K197 IonicContact OD2-NZ 3.38Å; D176-K197 PolarHBondContact OD2-NZ 3.44Å; D176-G201 CarbonylContact O-C 3.51Å; D176-G201 WeakPolarHBondContact O-CA 3.17Å; D176-R202 PolarHBondContact O-N 2.97Å
177	A	98.9	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.5	-179.1	0	0	0	0	0	112.9	L99 L101 V106 V107 C108 R202	L99-A177 HydrophobicContact CB-CB 4.12Å; L99-A177 HydrophobicContact CD1-CB 4.39Å; L99-A177 HydrophobicContact CD2-CB 4.25Å; L101-A177 HydrophobicContact CD2-CB 3.56Å; V106-A177 PolarHBondContact O-N 3.28Å; V107-A177 WeakPolarHBondContact CA-O 3.28Å; V107-A177 HydrophobicContact CG1-CB 4.43Å; V107-A177 HydrophobicContact CG2-CB 4.48Å; C108-A177 PolarHBondContact N-O 2.84Å; A177-R202 CarbonylContact C-O 3.55Å; A177-R202 WeakPolarHBondContact CA-O 3.47Å
178	V	98.9	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.6	172	-176	0	0	0	0	109.8	C108 F169 L180 A192 M196 R202 L203 C204	C108-V178 HydrophobicContact CB-CG1 4.36Å; C108-V178 HydrophobicContact CB-CG2 4.14Å; C108-V178 CarbonylContact O-C 3.57Å; C108-V178 VanDerWaalsContact O-CA 3.3Å; C108-V178 WeakPolarHBondContact O-CA 3.38Å; F169-V178 HydrophobicContact CE1-CG1 4.29Å; F169-V178 HydrophobicContact CE2-CG1 3.87Å; F169-V178 HydrophobicContact CZ-CG1 3.48Å; F169-V178 VanDerWaalsContact CZ-CG1 3.48Å; V178-L180 HydrophobicContact CG1-CD2 4.37Å; V178-L180 HydrophobicContact CG1-CG 4.31Å; V178-A192 HydrophobicContact CB-CB 4.24Å; V178-A192 HydrophobicContact CG1-CB 3.77Å; V178-A192 HydrophobicContact CG2-CB 4.16Å; V178-M196 HydrophobicContact CG2-CG 3.47Å; V178-M196 VanDerWaalsContact CG2-CG 3.47Å; V178-M196 HydrophobicContact CG2-SD 3.86Å; V178-R202 PolarHBondContact N-O 3.02Å; V178-L203 HydrophobicContact CB-CG 4.43Å; V178-L203 CarbonylContact O-C 3.51Å; V178-L203 WeakPolarHBondContact O-CA 3.42Å; V178-C204 PolarHBondContact O-N 3.24Å
179	F	98.9	Very high	98.5	Very high	2 Å²	2	33 Å²	33	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.4	171.2	-179	-93	0	0	0	111.2	L87 V95 L99 C108 E109 S110 L117 D181 C204 F206	L87-F179 HydrophobicContact CD1-CE1 4.26Å; L87-F179 HydrophobicContact CD1-CE2 4.05Å; L87-F179 HydrophobicContact CD1-CZ 3.49Å; L87-F179 VanDerWaalsContact CD1-CZ 3.49Å; V95-F179 HydrophobicContact CG1-CD2 3.56Å; V95-F179 HydrophobicContact CG1-CE2 3.89Å; V95-F179 HydrophobicContact CG1-CG 4.45Å; V95-F179 HydrophobicContact CG2-CD2 4.27Å; V95-F179 HydrophobicContact CG2-CE2 3.77Å; L99-F179 HydrophobicContact CD1-CB 4.14Å; L99-F179 HydrophobicContact CD1-CD2 4.43Å; C108-F179 PolarHBondContact O-N 2.87Å; E109-F179 WeakPolarHBondContact CA-O 3.29Å; E109-F179 HydrophobicContact CG-CD1 4.35Å; S110-F179 PolarHBondContact N-O 3.43Å; L117-F179 HydrophobicContact CD2-CB 4.28Å; L117-F179 HydrophobicContact CD2-CD1 3.12Å; L117-F179 HydrophobicContact CD2-CD2 3.86Å; L117-F179 HydrophobicContact CD2-CE1 3.22Å; L117-F179 HydrophobicContact CD2-CE2 3.97Å; L117-F179 HydrophobicContact CD2-CG 3.46Å; L117-F179 VanDerWaalsContact CD2-CG 3.46Å; L117-F179 HydrophobicContact CD2-CZ 3.69Å; F179-D181 HydrophobicContact CD1-CB 4.45Å; F179-D181 HydrophobicContact CE1-CB 3.46Å; F179-D181 VanDerWaalsContact CE1-CB 3.46Å; F179-D181 HydrophobicContact CZ-CB 3.94Å; F179-C204 CarbonylContact C-O 3.59Å; F179-C204 VanDerWaalsContact CA-O 3.31Å; F179-C204 WeakPolarHBondContact CA-O 3.36Å; F179-C204 HydrophobicContact CD2-CB 3.92Å; F179-C204 HydrophobicContact CE2-CB 4.48Å; F179-F206 HydrophobicContact CE2-CB 4.34Å; F179-F206 HydrophobicContact CZ-CB 3.89Å
180	L	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.2	179.9	-64.4	175.7	0	0	0	111.7	S110 F169 V178 I182 P185 A188 C204 S205 F206	S110-L180 CarbonylContact O-C 3.58Å; S110-L180 WeakPolarHBondContact O-CA 3.23Å; F169-L180 HydrophobicContact CZ-CD2 3.76Å; V178-L180 HydrophobicContact CG1-CD2 4.37Å; V178-L180 HydrophobicContact CG1-CG 4.31Å; L180-I182 HydrophobicContact CD2-CD1 4.33Å; L180-P185 HydrophobicContact CB-CB 4.14Å; L180-P185 HydrophobicContact CD1-CB 4.12Å; L180-A188 HydrophobicContact CD1-CB 4.17Å; L180-A188 HydrophobicContact CD2-CB 3.97Å; L180-C204 PolarHBondContact N-O 2.86Å; L180-S205 CarbonylContact O-C 3.57Å; L180-S205 VanDerWaalsContact O-CA 3.3Å; L180-S205 WeakPolarHBondContact O-CA 3.35Å; L180-F206 PolarHBondContact O-N 3.38Å
181	D	98.4	Very high	98.5	Very high	53 Å²	53	34.8 Å²	34.8	28%	0.283	21%	0.205	S	C	.	.			trans	-127.1	79	167.1	179.9	15.9	0	0	0	108.4	S110 G111 F179 F206	S110-D181 PolarHBondContact O-N 3.06Å; G111-D181 PolarHBondContact N-O 3.07Å; F179-D181 HydrophobicContact CD1-CB 4.45Å; F179-D181 HydrophobicContact CE1-CB 3.46Å; F179-D181 VanDerWaalsContact CE1-CB 3.46Å; F179-D181 HydrophobicContact CZ-CB 3.94Å; D181-F206 HydrophobicContact CB-CB 4.42Å; D181-F206 WeakPolarHBondContact OD1-CD1 3.42Å
182	I	98.3	Very high	98.5	Very high	24 Å²	24	33.5 Å²	33.5	12%	0.123	20%	0.198	C	C	.	.	S	Bend	trans	-139.8	161.6	179.9	57.7	179.4	0	0	0	109.3	V164 L180 S184 P185 A188	V164-I182 HydrophobicContact CG1-CD1 3.56Å; V164-I182 HydrophobicContact CG1-CG2 4.4Å; L180-I182 HydrophobicContact CD2-CD1 4.33Å; I182-S184 VanDerWaalsContact C-N 3.34Å; I182-S184 PolarHBondContact O-N 3.33Å; I182-P185 HydrophobicContact CG1-CB 4.09Å; I182-P185 WeakPolarHBondContact O-CD 3.46Å; I182-A188 HydrophobicContact CD1-CB 3.84Å
183	P	97.5	Very high	98.5	Very high	99 Å²	99	31.1 Å²	31.1	64%	0.643	18%	0.178	S	C	*	.	S	Bend	trans	-65.1	-31.3	-178.8	-25.2	35.7	0	0	0	115.1	P185 W186 Q212	P183-P185 VanDerWaalsContact C-CD 3.43Å; P183-P185 WeakPolarHBondContact O-CD 3.45Å; P183-W186 WeakPolarHBondContact O-CH2 3.32Å; P183-Q212 PolarHBondContact O-NE2 3.01Å
184	S	98.3	Very high	98.5	Very high	34 Å²	34	31.8 Å²	31.8	24%	0.238	18%	0.18	C	C	.	.			trans	-124.1	61.7	-175.9	-59	0	0	0	0	112.5	I182 W186 E187	I182-S184 VanDerWaalsContact C-N 3.34Å; I182-S184 PolarHBondContact O-N 3.33Å; S184-W186 PolarHBondContact O-N 3.24Å; S184-E187 PolarHBondContact O-N 3.13Å; S184-E187 VanDerWaalsContact O-N 3.15Å
185	P	98.6	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-26.5	-173	23.5	-29.9	0	0	0	113.4	L180 I182 P183 E187 A188 V189 S205 T216	L180-P185 HydrophobicContact CB-CB 4.14Å; L180-P185 HydrophobicContact CD1-CB 4.12Å; I182-P185 HydrophobicContact CG1-CB 4.09Å; I182-P185 WeakPolarHBondContact O-CD 3.46Å; P183-P185 VanDerWaalsContact C-CD 3.43Å; P183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-E187 PolarHBondContact O-N 3.4Å; P185-A188 PolarHBondContact O-N 3.26Å; P185-V189 PolarHBondContact O-N 2.78Å; P185-S205 VanDerWaalsContact CB-OG 3.26Å; P185-S205 WeakPolarHBondContact CB-OG 3.38Å; P185-S205 WeakPolarHBondContact CG-OG 3.37Å; P185-T216 WeakPolarHBondContact CG-OG1 3.29Å
186	W	98.8	Very high	98.5	Very high	48 Å²	48	29.1 Å²	29.1	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-30.5	175.6	54.9	83.9	0	0	0	113.6	P183 S184 Q212 R215 A219	P183-W186 WeakPolarHBondContact O-CH2 3.32Å; S184-W186 PolarHBondContact O-N 3.24Å; W186-Q212 HydrophobicContact CH2-CG 4.11Å; W186-Q212 HydrophobicContact CZ3-CB 3.69Å; W186-Q212 HydrophobicContact CZ3-CG 3.75Å; W186-R215 HydrophobicContact CB-CB 4.1Å; W186-R215 HydrophobicContact CD2-CB 3.65Å; W186-R215 HydrophobicContact CD2-CG 4.44Å; W186-R215 HydrophobicContact CE3-CB 3.56Å; W186-R215 HydrophobicContact CE3-CG 4.44Å; W186-R215 HydrophobicContact CG-CB 3.9Å; W186-R215 HydrophobicContact CZ3-CB 4.27Å; W186-A219 HydrophobicContact CB-CB 3.91Å
187	E	98.7	Very high	98.5	Very high	107 Å²	107	30 Å²	30	50%	0.5	17%	0.166	S	C	.	.	H	α-helix	trans	-73.1	-30.2	176.5	-74.7	163.8	-145.2	0	0	111.9	C165 S184 P185	C165-E187 HydrophobicContact CB-CB 3.93Å; S184-E187 PolarHBondContact O-N 3.13Å; S184-E187 VanDerWaalsContact O-N 3.15Å; P185-E187 PolarHBondContact O-N 3.4Å
188	A	98.7	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-85.1	-10.6	-179.1	0	0	0	0	0	114	V164 L180 I182 P185 G190 H191 A192	V164-A188 HydrophobicContact CG1-CB 4.25Å; L180-A188 HydrophobicContact CD1-CB 4.17Å; L180-A188 HydrophobicContact CD2-CB 3.97Å; I182-A188 HydrophobicContact CD1-CB 3.84Å; P185-A188 PolarHBondContact O-N 3.26Å; A188-G190 VanDerWaalsContact C-N 3.27Å; A188-G190 PolarHBondContact O-N 2.96Å; A188-H191 PolarHBondContact O-N 3.43Å; A188-A192 PolarHBondContact O-N 3.23Å
189	V	98.7	Very high	97.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-57	-39.3	-176.7	173.6	0	0	0	0	112.4	P185 A192 K193 A219 L220 R223 F225	P185-V189 PolarHBondContact O-N 2.78Å; V189-A192 PolarHBondContact O-N 3.03Å; V189-K193 PolarHBondContact O-N 2.8Å; V189-A219 HydrophobicContact CB-CB 4.27Å; V189-A219 HydrophobicContact CG2-CB 4Å; V189-L220 HydrophobicContact CG1-CD2 3.81Å; V189-L220 HydrophobicContact CG1-CG 4.33Å; V189-L220 HydrophobicContact CG2-CD2 4.18Å; V189-L220 HydrophobicContact CG2-CG 4.27Å; V189-R223 HydrophobicContact CG1-CB 4.09Å; V189-R223 HydrophobicContact CG1-CG 4.03Å; V189-F225 HydrophobicContact CG1-CD2 4.15Å; V189-F225 HydrophobicContact CG1-CE2 3.72Å
190	G	98.3	Very high	97.8	Very high	24 Å²	24	44.6 Å²	44.6	25%	0.247	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-46.4	176.2	0	0	0	0	0	112.3	A188 K193 A194	A188-G190 VanDerWaalsContact C-N 3.27Å; A188-G190 PolarHBondContact O-N 2.96Å; G190-K193 PolarHBondContact O-N 2.87Å; G190-A194 PolarHBondContact O-N 2.84Å; G190-A194 VanDerWaalsContact O-N 3.1Å
191	H	98.7	Very high	97.7	Very high	60 Å²	60	45.4 Å²	45.4	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-67.1	-36	177	-65.5	-69.7	0	0	0	112.4	V164 C165 K166 A188 A194 A195	V164-H191 PolarHBondContact O-CD2 2.71Å; C165-H191 PolarHBondContact O-NE2 2.92Å; K166-H191 PolarHBondContact O-CE1 3.45Å; A188-H191 PolarHBondContact O-N 3.43Å; H191-A194 PolarHBondContact O-N 3.06Å; H191-A195 WeakPolarHBondContact O-CB 3.44Å; H191-A195 PolarHBondContact O-N 2.95Å
192	A	98.6	Very high	97.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-49.3	172.8	0	0	0	0	0	111	F169 V178 A188 V189 A194 A195 M196 L203	F169-A192 HydrophobicContact CE2-CB 4.15Å; V178-A192 HydrophobicContact CB-CB 4.24Å; V178-A192 HydrophobicContact CG1-CB 3.77Å; V178-A192 HydrophobicContact CG2-CB 4.16Å; A188-A192 PolarHBondContact O-N 3.23Å; V189-A192 PolarHBondContact O-N 3.03Å; A192-A194 VanDerWaalsContact C-N 3.26Å; A192-A194 PolarHBondContact O-N 3.14Å; A192-A195 PolarHBondContact O-N 3.31Å; A192-A195 VanDerWaalsContact O-N 3.17Å; A192-M196 WeakPolarHBondContact O-CG 3.5Å; A192-M196 PolarHBondContact O-N 3.33Å; A192-M196 VanDerWaalsContact O-N 3.14Å; A192-L203 HydrophobicContact CB-CD1 3.58Å
193	K	98.1	Very high	97.7	Very high	64 Å²	64	42.4 Å²	42.4	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-58.5	-39.1	176.6	-170.3	174.2	-178.5	176.2	0	112.3	V189 G190 R223 F225 K299	V189-K193 PolarHBondContact O-N 2.8Å; G190-K193 PolarHBondContact O-N 2.87Å; K193-R223 HydrophobicContact CD-CB 4.49Å; K193-R223 WeakPolarHBondContact CD-O 3.28Å; K193-R223 WeakPolarHBondContact CE-O 3.41Å; K193-R223 PolarHBondContact NZ-O 3.03Å; K193-F225 HydrophobicContact CB-CE2 3.85Å; K193-F225 HydrophobicContact CB-CZ 3.91Å; K193-F225 HydrophobicContact CD-CE2 4.28Å; K193-F225 HydrophobicContact CG-CE2 4.24Å; K193-F225 HydrophobicContact CG-CZ 4.35Å; K193-K299 HydrophobicContact CG-CD 4.12Å; K193-K299 PolarHBondContact O-NZ 2.9Å
194	A	98	Very high	97.8	Very high	48 Å²	48	37.7 Å²	37.7	40%	0.397	20%	0.195	S	C	.	.	H	α-helix	trans	-68.4	-39.6	177.6	0	0	0	0	0	112.6	T172 G173 G190 H191 A192 M196	T172-A194 CarbonylContact C-O 3.52Å; T172-A194 WeakPolarHBondContact CA-O 3.32Å; T172-A194 WeakPolarHBondContact CG2-O 3.33Å; G173-A194 PolarHBondContact N-O 3.49Å; G190-A194 PolarHBondContact O-N 2.84Å; G190-A194 VanDerWaalsContact O-N 3.1Å; H191-A194 PolarHBondContact O-N 3.06Å; A192-A194 VanDerWaalsContact C-N 3.26Å; A192-A194 PolarHBondContact O-N 3.14Å; A194-M196 VanDerWaalsContact C-N 3.29Å; A194-M196 PolarHBondContact O-N 3.1Å
195	A	98.4	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-33.1	177.4	0	0	0	0	0	112.6	F169 V171 G173 V174 A175 H191 A192	F169-A195 HydrophobicContact CB-CB 4.24Å; F169-A195 HydrophobicContact CD2-CB 3.82Å; F169-A195 HydrophobicContact CG-CB 4.3Å; V171-A195 HydrophobicContact CG2-CB 4.35Å; G173-A195 CarbonylContact C-O 3.51Å; G173-A195 PolarHBondContact N-O 3.39Å; G173-A195 VanDerWaalsContact N-O 3.13Å; V174-A195 PolarHBondContact N-O 3.38Å; A175-A195 PolarHBondContact N-O 2.86Å; H191-A195 WeakPolarHBondContact O-CB 3.44Å; H191-A195 PolarHBondContact O-N 2.95Å; A192-A195 PolarHBondContact O-N 3.31Å; A192-A195 VanDerWaalsContact O-N 3.17Å
196	M	98.5	Very high	97.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-73.3	147.5	-176.5	-66.3	164.8	84.3	0	0	113.8	G173 A175 V178 A192 A194 G201 R202 F225 K299	G173-M196 WeakPolarHBondContact CA-O 3.38Å; A175-M196 CarbonylContact O-C 3.56Å; A175-M196 VanDerWaalsContact O-CA 3.25Å; A175-M196 WeakPolarHBondContact O-CA 3.31Å; V178-M196 HydrophobicContact CG2-CG 3.47Å; V178-M196 VanDerWaalsContact CG2-CG 3.47Å; V178-M196 HydrophobicContact CG2-SD 3.86Å; A192-M196 WeakPolarHBondContact O-CG 3.5Å; A192-M196 PolarHBondContact O-N 3.33Å; A192-M196 VanDerWaalsContact O-N 3.14Å; A194-M196 VanDerWaalsContact C-N 3.29Å; A194-M196 PolarHBondContact O-N 3.1Å; M196-G201 VanDerWaalsContact CE-O 3.25Å; M196-G201 WeakPolarHBondContact CE-O 3.4Å; M196-R202 VanDerWaalsContact CE-N 3.3Å; M196-R202 WeakPolarHBondContact CE-O 3.48Å; M196-F225 HydrophobicContact CE-CE1 4.29Å; M196-F225 HydrophobicContact SD-CE1 3.92Å; M196-F225 HydrophobicContact SD-CZ 4.06Å; M196-K299 HydrophobicContact CB-CD 3.65Å; M196-K299 HydrophobicContact CE-CB 3.59Å; M196-K299 HydrophobicContact CE-CD 4.3Å; M196-K299 PolarHBondContact O-NZ 3.14Å; M196-K299 HydrophobicContact SD-CB 4.14Å; M196-K299 HydrophobicContact SD-CD 4.14Å
197	K	97.8	Very high	97.8	Very high	66 Å²	66	34.7 Å²	34.7	29%	0.287	18%	0.178	S	C	.	.			trans	-53.6	156.4	174.9	-67.1	177.1	-170.7	171.3	0	112.3	G173 V174 A175 D176 H199 K299	G173-K197 WeakPolarHBondContact O-CG 3.25Å; V174-K197 WeakPolarHBondContact O-CE 3.47Å; A175-K197 PolarHBondContact O-N 2.76Å; D176-K197 WeakPolarHBondContact OD1-CD 3.48Å; D176-K197 VanDerWaalsContact OD1-CE 3.26Å; D176-K197 WeakPolarHBondContact OD1-CE 3.39Å; D176-K197 IonicContact OD1-NZ 3.63Å; D176-K197 PolarHBondContact OD1-NZ 3.28Å; D176-K197 IonicContact OD2-NZ 3.38Å; D176-K197 PolarHBondContact OD2-NZ 3.44Å; K197-H199 VanDerWaalsContact C-N 3.32Å; K197-K299 WeakPolarHBondContact O-CE 3.2Å; K197-K299 PolarHBondContact O-NZ 3.17Å
198	K	94.2	Very high	97.7	Very high	153 Å²	153	32.5 Å²	32.5	67%	0.665	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.2	176.4	-67.3	-172.8	178.5	-177.4	0	112.5	G200 T302	K198-G200 PolarHBondContact O-N 2.79Å; K198-T302 PolarHBondContact O-N 3.23Å; K198-T302 PolarHBondContact O-OG1 3.25Å
199	H	92.4	Very high	97.7	Very high	144 Å²	144	35.4 Å²	35.4	67%	0.667	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	19.1	178.5	-51.7	-59.9	0	0	0	114.2	K197 R301	K197-H199 VanDerWaalsContact C-N 3.32Å; H199-R301 VanDerWaalsContact O-CG 3.31Å; H199-R301 WeakPolarHBondContact O-CG 3.39Å; H199-R301 PolarHBondContact O-NE 3.31Å
200	G	94.9	Very high	97.7	Very high	11 Å²	11	38.7 Å²	38.7	11%	0.113	21%	0.21	C	C	.	.			trans	92	-178.7	179.4	0	0	0	0	0	114.3	K198 K299	K198-G200 PolarHBondContact O-N 2.79Å; G200-K299 WeakPolarHBondContact CA-O 3.1Å
201	G	97.4	Very high	97.7	Very high	16 Å²	16	42.8 Å²	42.8	17%	0.165	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	179.4	176.4	0	0	0	0	0	112.1	D176 M196 K299	D176-G201 CarbonylContact O-C 3.51Å; D176-G201 WeakPolarHBondContact O-CA 3.17Å; M196-G201 VanDerWaalsContact CE-O 3.25Å; M196-G201 WeakPolarHBondContact CE-O 3.4Å; G201-K299 PolarHBondContact N-O 2.82Å; G201-K299 PolarHBondContact O-N 2.84Å
202	R	98.7	Very high	97.7	Very high	15 Å²	15	41.4 Å²	41.4	6%	0.057	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.1	-178.3	-63.9	-69.4	-66.8	175.5	-10.8	112.2	M98 L99 E100 D176 A177 V178 M196 E227 T298	M98-R202 PolarHBondContact O-NE 2.92Å; M98-R202 PolarHBondContact O-NH2 3.22Å; L99-R202 HydrophobicContact CD2-CB 3.76Å; E100-R202 HydrophobicContact CG-CG 4.32Å; D176-R202 PolarHBondContact O-N 2.97Å; A177-R202 CarbonylContact C-O 3.55Å; A177-R202 WeakPolarHBondContact CA-O 3.47Å; V178-R202 PolarHBondContact N-O 3.02Å; M196-R202 VanDerWaalsContact CE-N 3.3Å; M196-R202 WeakPolarHBondContact CE-O 3.48Å; R202-E227 IonicContact CZ-OE2 3.96Å; R202-E227 IonicContact NH1-OE2 3.67Å; R202-E227 PolarHBondContact NH1-OE2 2.91Å; R202-T298 PolarHBondContact NH1-OG1 3.48Å
203	L	98.8	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.1	172.9	-177.1	151.4	0	0	0	109.4	V178 A192 L220 F225 F296 A297	V178-L203 HydrophobicContact CB-CG 4.43Å; V178-L203 CarbonylContact O-C 3.51Å; V178-L203 WeakPolarHBondContact O-CA 3.42Å; A192-L203 HydrophobicContact CB-CD1 3.58Å; L203-L220 HydrophobicContact CD1-CD2 3.98Å; L203-L220 HydrophobicContact CD2-CD1 4.37Å; L203-L220 HydrophobicContact CD2-CD2 3.81Å; L203-L220 HydrophobicContact CG-CD2 4.44Å; L203-F225 HydrophobicContact CB-CE1 3.94Å; L203-F225 HydrophobicContact CD1-CE1 3.96Å; L203-F225 HydrophobicContact CD1-CZ 3.84Å; L203-F296 CarbonylContact O-C 3.52Å; L203-F296 VanDerWaalsContact O-CA 3.24Å; L203-F296 WeakPolarHBondContact O-CA 3.44Å; L203-A297 PolarHBondContact N-O 2.89Å; L203-A297 PolarHBondContact O-N 3.26Å
204	C	98.9	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.3	169.3	177.7	0	0	0	0	109.4	L99 V178 F179 L180 T295 F296	L99-C204 HydrophobicContact CD1-CB 4.04Å; L99-C204 HydrophobicContact CD2-CB 3.58Å; L99-C204 HydrophobicContact CG-CB 3.86Å; V178-C204 PolarHBondContact O-N 3.24Å; F179-C204 CarbonylContact C-O 3.59Å; F179-C204 VanDerWaalsContact CA-O 3.31Å; F179-C204 WeakPolarHBondContact CA-O 3.36Å; F179-C204 HydrophobicContact CD2-CB 3.92Å; F179-C204 HydrophobicContact CE2-CB 4.48Å; L180-C204 PolarHBondContact N-O 2.86Å; C204-T295 CarbonylContact C-O 3.59Å; C204-T295 VanDerWaalsContact CA-O 3.3Å; C204-T295 WeakPolarHBondContact CA-O 3.16Å; C204-F296 HydrophobicContact CB-CD1 3.65Å; C204-F296 HydrophobicContact CB-CE1 3.55Å; C204-F296 HydrophobicContact CB-CZ 4.49Å; C204-F296 WeakPolarHBondContact SG-CE1 3.46Å
205	S	98.9	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.3	168.4	-179.3	0	0	0	0	110	L180 P185 L294 T295	L180-S205 CarbonylContact O-C 3.57Å; L180-S205 VanDerWaalsContact O-CA 3.3Å; L180-S205 WeakPolarHBondContact O-CA 3.35Å; P185-S205 VanDerWaalsContact CB-OG 3.26Å; P185-S205 WeakPolarHBondContact CB-OG 3.38Å; P185-S205 WeakPolarHBondContact CG-OG 3.37Å; S205-L294 CarbonylContact O-C 3.58Å; S205-L294 WeakPolarHBondContact O-CA 3.44Å; S205-T295 PolarHBondContact N-O 3.36Å; S205-T295 PolarHBondContact O-N 3.26Å
206	F	98.8	Very high	97.8	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.075	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.3	166.8	177.4	-98.5	0	0	0	110.1	L87 F179 L180 D181 T291 Y293 L294	L87-F206 HydrophobicContact CD2-CD1 4.23Å; L87-F206 HydrophobicContact CD2-CD2 3.54Å; L87-F206 HydrophobicContact CD2-CE1 4.2Å; L87-F206 HydrophobicContact CD2-CE2 3.49Å; L87-F206 VanDerWaalsContact CD2-CE2 3.49Å; L87-F206 HydrophobicContact CD2-CG 3.9Å; L87-F206 HydrophobicContact CD2-CZ 3.84Å; F179-F206 HydrophobicContact CE2-CB 4.34Å; F179-F206 HydrophobicContact CZ-CB 3.89Å; L180-F206 PolarHBondContact O-N 3.38Å; D181-F206 HydrophobicContact CB-CB 4.42Å; D181-F206 WeakPolarHBondContact OD1-CD1 3.42Å; F206-T291 WeakPolarHBondContact CZ-O 3.2Å; F206-Y293 CarbonylContact C-O 3.52Å; F206-Y293 WeakPolarHBondContact CA-O 3.47Å; F206-L294 HydrophobicContact CB-CD2 4.08Å; F206-L294 HydrophobicContact CD2-CD2 3.77Å; F206-L294 HydrophobicContact CG-CD2 4.43Å
207	S	98.5	Very high	97.8	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	126.6	177.5	-69.3	0	0	0	0	111.3	Y293	S207-Y293 PolarHBondContact N-O 3.42Å; S207-Y293 WeakPolarHBondContact O-CD2 3.45Å; S207-Y293 PolarHBondContact O-N 3.21Å
208	P	97.3	Very high	97.9	Very high	62 Å²	62	52.5 Å²	52.5	40%	0.403	26%	0.26	S	S	.	.	S	Bend	trans	-73.4	-26.1	177.5	28.7	-36	0	0	0	113.5	H290	P208-H290 PolarHBondContact O-NE2 2.96Å
209	C	97.9	Very high	98.1	Very high	61 Å²	61	45.9 Å²	45.9	41%	0.412	23%	0.233	S	C	.	.	S	Bend	trans	-109.5	141.9	-176	-57.6	0	0	0	0	111.7	E211 Q212 V213	C209-E211 VanDerWaalsContact C-N 3.25Å; C209-E211 WeakPolarHBondContact CB-OE2 3.42Å; C209-E211 PolarHBondContact O-N 3.32Å; C209-Q212 HydrophobicContact CB-CG 4.1Å; C209-Q212 WeakPolarHBondContact O-CB 3.35Å; C209-Q212 PolarHBondContact O-N 2.73Å; C209-Q212 VanDerWaalsContact O-N 3.14Å; C209-V213 PolarHBondContact O-N 3.31Å
210	I	98.3	Very high	98.4	Very high	70 Å²	70	39 Å²	39	36%	0.359	20%	0.202	S	C	.	.	H	α-helix	trans	-68	-27	-177.1	-163.2	64.4	0	0	0	112.1	Q212 V213 Q214 Y293	I210-Q212 VanDerWaalsContact C-N 3.29Å; I210-Q212 PolarHBondContact O-N 2.75Å; I210-V213 HydrophobicContact CD1-CB 4.2Å; I210-V213 HydrophobicContact CD1-CG1 4.39Å; I210-V213 HydrophobicContact CD1-CG2 4.39Å; I210-V213 WeakPolarHBondContact O-CB 3.27Å; I210-V213 PolarHBondContact O-N 3.39Å; I210-Q214 VanDerWaalsContact O-CG 3.31Å; I210-Q214 WeakPolarHBondContact O-CG 3.47Å; I210-Q214 PolarHBondContact O-N 3Å; I210-Y293 HydrophobicContact CB-CE2 4.21Å; I210-Y293 HydrophobicContact CD1-CD1 4.46Å; I210-Y293 HydrophobicContact CD1-CD2 4.35Å; I210-Y293 HydrophobicContact CD1-CE1 4.18Å; I210-Y293 HydrophobicContact CD1-CE2 4.08Å
211	E	98.5	Very high	98.5	Very high	109 Å²	109	42.9 Å²	42.9	51%	0.509	22%	0.223	S	C	.	.	H	α-helix	trans	-67.2	-33.2	175.9	-57.5	83.4	172.4	0	0	111.5	C209 R215	C209-E211 VanDerWaalsContact C-N 3.25Å; C209-E211 WeakPolarHBondContact CB-OE2 3.42Å; C209-E211 PolarHBondContact O-N 3.32Å; E211-R215 WeakPolarHBondContact O-CG 3.41Å; E211-R215 PolarHBondContact O-N 3.23Å
212	Q	98.8	Very high	98.6	Very high	31 Å²	31	48.2 Å²	48.2	15%	0.145	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-40.8	173.7	-63	174.3	-66.1	0	0	110.6	P183 W186 C209 I210 R215 T216	P183-Q212 PolarHBondContact O-NE2 3.01Å; W186-Q212 HydrophobicContact CH2-CG 4.11Å; W186-Q212 HydrophobicContact CZ3-CB 3.69Å; W186-Q212 HydrophobicContact CZ3-CG 3.75Å; C209-Q212 HydrophobicContact CB-CG 4.1Å; C209-Q212 WeakPolarHBondContact O-CB 3.35Å; C209-Q212 PolarHBondContact O-N 2.73Å; C209-Q212 VanDerWaalsContact O-N 3.14Å; I210-Q212 VanDerWaalsContact C-N 3.29Å; I210-Q212 PolarHBondContact O-N 2.75Å; Q212-R215 PolarHBondContact O-N 3.09Å; Q212-T216 WeakPolarHBondContact O-CB 3.27Å; Q212-T216 PolarHBondContact O-N 2.91Å; Q212-T216 PolarHBondContact O-OG1 2.83Å
213	V	98.8	Very high	98.5	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-47.9	173.6	174.4	0	0	0	0	110.9	C209 I210 R215 T216 C217 T230 Y293	C209-V213 PolarHBondContact O-N 3.31Å; I210-V213 HydrophobicContact CD1-CB 4.2Å; I210-V213 HydrophobicContact CD1-CG1 4.39Å; I210-V213 HydrophobicContact CD1-CG2 4.39Å; I210-V213 WeakPolarHBondContact O-CB 3.27Å; I210-V213 PolarHBondContact O-N 3.39Å; V213-R215 PolarHBondContact O-N 2.98Å; V213-T216 PolarHBondContact O-N 3.43Å; V213-C217 WeakPolarHBondContact O-CB 3.4Å; V213-C217 PolarHBondContact O-N 2.85Å; V213-C217 PolarHBondContact O-SG 3.34Å; V213-T230 HydrophobicContact CG1-CG2 3.91Å; V213-Y293 HydrophobicContact CG2-CD2 3.81Å; V213-Y293 HydrophobicContact CG2-CG 3.84Å
214	Q	98.8	Very high	98.5	Very high	122 Å²	122	56.1 Å²	56.1	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-55.8	-51	-180	-73.9	168.3	-16	0	0	111.7	I210 T216 C217 Q218	I210-Q214 VanDerWaalsContact O-CG 3.31Å; I210-Q214 WeakPolarHBondContact O-CG 3.47Å; I210-Q214 PolarHBondContact O-N 3Å; Q214-T216 VanDerWaalsContact C-N 3.31Å; Q214-T216 PolarHBondContact O-N 2.89Å; Q214-C217 PolarHBondContact O-N 3.35Å; Q214-Q218 PolarHBondContact O-N 3.29Å
215	R	98.8	Very high	98.4	Very high	141 Å²	141	56.6 Å²	56.6	53%	0.532	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-39	178	-68.9	178	-177.1	-171.6	0.6	112.3	W186 E211 Q212 V213 Q218 A219	W186-R215 HydrophobicContact CB-CB 4.1Å; W186-R215 HydrophobicContact CD2-CB 3.65Å; W186-R215 HydrophobicContact CD2-CG 4.44Å; W186-R215 HydrophobicContact CE3-CB 3.56Å; W186-R215 HydrophobicContact CE3-CG 4.44Å; W186-R215 HydrophobicContact CG-CB 3.9Å; W186-R215 HydrophobicContact CZ3-CB 4.27Å; E211-R215 WeakPolarHBondContact O-CG 3.41Å; E211-R215 PolarHBondContact O-N 3.23Å; Q212-R215 PolarHBondContact O-N 3.09Å; V213-R215 PolarHBondContact O-N 2.98Å; R215-Q218 PolarHBondContact O-N 3.34Å; R215-A219 WeakPolarHBondContact O-CB 3.47Å; R215-A219 PolarHBondContact O-N 2.89Å
216	T	98.9	Very high	98.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-45.4	179.1	-54.4	0	0	0	0	111.5	P185 Q212 V213 Q214 Q218 A219 L220	P185-T216 WeakPolarHBondContact CG-OG1 3.29Å; Q212-T216 WeakPolarHBondContact O-CB 3.27Å; Q212-T216 PolarHBondContact O-N 2.91Å; Q212-T216 PolarHBondContact O-OG1 2.83Å; V213-T216 PolarHBondContact O-N 3.43Å; Q214-T216 VanDerWaalsContact C-N 3.31Å; Q214-T216 PolarHBondContact O-N 2.89Å; T216-Q218 VanDerWaalsContact C-N 3.3Å; T216-Q218 PolarHBondContact O-N 2.69Å; T216-A219 PolarHBondContact O-N 3.1Å; T216-L220 HydrophobicContact CG2-CD1 3.96Å; T216-L220 HydrophobicContact CG2-CG 4.37Å; T216-L220 WeakPolarHBondContact O-CB 3.47Å; T216-L220 WeakPolarHBondContact O-CG 3.45Å; T216-L220 PolarHBondContact O-N 2.93Å
217	C	98.8	Very high	98.3	Very high	29 Å²	29	67.2 Å²	67.2	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-40.9	176.4	-66.6	0	0	0	0	111.8	V213 Q214 L220 T221 V228	V213-C217 WeakPolarHBondContact O-CB 3.4Å; V213-C217 PolarHBondContact O-N 2.85Å; V213-C217 PolarHBondContact O-SG 3.34Å; Q214-C217 PolarHBondContact O-N 3.35Å; C217-L220 PolarHBondContact O-N 3.37Å; C217-T221 PolarHBondContact O-N 3.21Å; C217-T221 PolarHBondContact O-OG1 2.94Å; C217-V228 HydrophobicContact CB-CG1 4.18Å
218	Q	98.7	Very high	98.3	Very high	114 Å²	114	69.5 Å²	69.5	53%	0.533	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-52.8	174.6	-179.5	178	-6	0	0	111	Q214 R215 T216 L220 T221 E222	Q214-Q218 PolarHBondContact O-N 3.29Å; R215-Q218 PolarHBondContact O-N 3.34Å; T216-Q218 VanDerWaalsContact C-N 3.3Å; T216-Q218 PolarHBondContact O-N 2.69Å; Q218-L220 VanDerWaalsContact C-N 3.31Å; Q218-L220 PolarHBondContact O-N 2.76Å; Q218-T221 PolarHBondContact O-N 3.15Å; Q218-T221 VanDerWaalsContact O-N 3.17Å; Q218-E222 HydrophobicContact CG-CG 4.4Å; Q218-E222 VanDerWaalsContact CG-OE1 3.23Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.2Å; Q218-E222 PolarHBondContact NE2-OE1 3.1Å; Q218-E222 WeakPolarHBondContact O-CG 3.48Å; Q218-E222 PolarHBondContact O-N 2.96Å
219	A	98.8	Very high	98.3	Very high	14 Å²	14	73.1 Å²	73.1	12%	0.116	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-37.9	179.6	0	0	0	0	0	112.8	W186 V189 R215 T216 R223	W186-A219 HydrophobicContact CB-CB 3.91Å; V189-A219 HydrophobicContact CB-CB 4.27Å; V189-A219 HydrophobicContact CG2-CB 4Å; R215-A219 WeakPolarHBondContact O-CB 3.47Å; R215-A219 PolarHBondContact O-N 2.89Å; T216-A219 PolarHBondContact O-N 3.1Å; A219-R223 WeakPolarHBondContact O-CB 3.45Å; A219-R223 WeakPolarHBondContact O-CG 3.35Å; A219-R223 PolarHBondContact O-N 3.19Å
220	L	98.8	Very high	98.4	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-48.4	174.6	-74.2	167	0	0	0	111.2	V189 L203 T216 C217 Q218 R223 G224 F225 V228 T295 A297	V189-L220 HydrophobicContact CG1-CD2 3.81Å; V189-L220 HydrophobicContact CG1-CG 4.33Å; V189-L220 HydrophobicContact CG2-CD2 4.18Å; V189-L220 HydrophobicContact CG2-CG 4.27Å; L203-L220 HydrophobicContact CD1-CD2 3.98Å; L203-L220 HydrophobicContact CD2-CD1 4.37Å; L203-L220 HydrophobicContact CD2-CD2 3.81Å; L203-L220 HydrophobicContact CG-CD2 4.44Å; T216-L220 HydrophobicContact CG2-CD1 3.96Å; T216-L220 HydrophobicContact CG2-CG 4.37Å; T216-L220 WeakPolarHBondContact O-CB 3.47Å; T216-L220 WeakPolarHBondContact O-CG 3.45Å; T216-L220 PolarHBondContact O-N 2.93Å; C217-L220 PolarHBondContact O-N 3.37Å; Q218-L220 VanDerWaalsContact C-N 3.31Å; Q218-L220 PolarHBondContact O-N 2.76Å; L220-R223 CarbonylContact O-C 3.55Å; L220-R223 PolarHBondContact O-N 3.28Å; L220-G224 PolarHBondContact O-N 2.88Å; L220-F225 HydrophobicContact CB-CB 4.12Å; L220-F225 HydrophobicContact CB-CD2 4.49Å; L220-F225 HydrophobicContact CB-CG 4.49Å; L220-F225 HydrophobicContact CD2-CB 4.14Å; L220-F225 HydrophobicContact CD2-CD1 4.04Å; L220-F225 HydrophobicContact CD2-CD2 3.68Å; L220-F225 HydrophobicContact CD2-CE1 4.35Å; L220-F225 HydrophobicContact CD2-CE2 4Å; L220-F225 HydrophobicContact CD2-CG 3.7Å; L220-F225 HydrophobicContact CD2-CZ 4.33Å; L220-F225 WeakPolarHBondContact O-CB 3.11Å; L220-F225 PolarHBondContact O-N 2.83Å; L220-V228 HydrophobicContact CB-CG2 4.15Å; L220-V228 HydrophobicContact CD1-CG1 4.29Å; L220-T295 HydrophobicContact CD1-CG2 4.01Å; L220-A297 HydrophobicContact CD1-CB 4.03Å; L220-A297 HydrophobicContact CD2-CB 4.06Å
221	T	98	Very high	98.4	Very high	91 Å²	91	71.2 Å²	71.2	56%	0.558	34%	0.344	S	S	*	.	H	α-helix	trans	-64.1	-46.9	-179.9	-52.9	0	0	0	0	111.4	C217 Q218 R223 G224	C217-T221 PolarHBondContact O-N 3.21Å; C217-T221 PolarHBondContact O-OG1 2.94Å; Q218-T221 PolarHBondContact O-N 3.15Å; Q218-T221 VanDerWaalsContact O-N 3.17Å; T221-R223 PolarHBondContact O-N 3.38Å; T221-G224 PolarHBondContact O-N 2.84Å
222	E	98.3	Very high	98.3	Very high	129 Å²	129	69.9 Å²	69.9	60%	0.603	34%	0.338	S	S	*	.	H	α-helix	trans	-60.8	-30.3	177.5	-72.6	172.9	-177.1	0	0	112.6	Q218 G224	Q218-E222 HydrophobicContact CG-CG 4.4Å; Q218-E222 VanDerWaalsContact CG-OE1 3.23Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.2Å; Q218-E222 PolarHBondContact NE2-OE1 3.1Å; Q218-E222 WeakPolarHBondContact O-CG 3.48Å; Q218-E222 PolarHBondContact O-N 2.96Å; E222-G224 VanDerWaalsContact C-N 3.3Å
223	R	97.8	Very high	98.1	Very high	145 Å²	145	70.3 Å²	70.3	55%	0.547	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	8.3	176	-63.3	-64.1	-175.6	158.2	1.6	113	V189 K193 A219 L220 T221 F225	V189-R223 HydrophobicContact CG1-CB 4.09Å; V189-R223 HydrophobicContact CG1-CG 4.03Å; K193-R223 HydrophobicContact CD-CB 4.49Å; K193-R223 WeakPolarHBondContact CD-O 3.28Å; K193-R223 WeakPolarHBondContact CE-O 3.41Å; K193-R223 PolarHBondContact NZ-O 3.03Å; A219-R223 WeakPolarHBondContact O-CB 3.45Å; A219-R223 WeakPolarHBondContact O-CG 3.35Å; A219-R223 PolarHBondContact O-N 3.19Å; L220-R223 CarbonylContact O-C 3.55Å; L220-R223 PolarHBondContact O-N 3.28Å; T221-R223 PolarHBondContact O-N 3.38Å; R223-F225 HydrophobicContact CB-CD2 4.18Å; R223-F225 HydrophobicContact CB-CE2 4.34Å
224	G	97.3	Very high	97.9	Very high	35 Å²	35	75.1 Å²	75.1	36%	0.361	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	32.8	174.5	0	0	0	0	0	113.7	L220 T221 E222 P300	L220-G224 PolarHBondContact O-N 2.88Å; T221-G224 PolarHBondContact O-N 2.84Å; E222-G224 VanDerWaalsContact C-N 3.3Å; G224-P300 VanDerWaalsContact O-CD 3.28Å; G224-P300 WeakPolarHBondContact O-CD 3.39Å
225	F	98.4	Very high	97.5	Very high	10 Å²	10	74.2 Å²	74.2	4%	0.044	37%	0.366	C	S	.	.			trans	-76.5	148.9	160.6	-75.2	-100.2	0	0	0	109.7	V189 K193 M196 L203 L220 R223 A297 T298 K299	V189-F225 HydrophobicContact CG1-CD2 4.15Å; V189-F225 HydrophobicContact CG1-CE2 3.72Å; K193-F225 HydrophobicContact CB-CE2 3.85Å; K193-F225 HydrophobicContact CB-CZ 3.91Å; K193-F225 HydrophobicContact CD-CE2 4.28Å; K193-F225 HydrophobicContact CG-CE2 4.24Å; K193-F225 HydrophobicContact CG-CZ 4.35Å; M196-F225 HydrophobicContact CE-CE1 4.29Å; M196-F225 HydrophobicContact SD-CE1 3.92Å; M196-F225 HydrophobicContact SD-CZ 4.06Å; L203-F225 HydrophobicContact CB-CE1 3.94Å; L203-F225 HydrophobicContact CD1-CE1 3.96Å; L203-F225 HydrophobicContact CD1-CZ 3.84Å; L220-F225 HydrophobicContact CB-CB 4.12Å; L220-F225 HydrophobicContact CB-CD2 4.49Å; L220-F225 HydrophobicContact CB-CG 4.49Å; L220-F225 HydrophobicContact CD2-CB 4.14Å; L220-F225 HydrophobicContact CD2-CD1 4.04Å; L220-F225 HydrophobicContact CD2-CD2 3.68Å; L220-F225 HydrophobicContact CD2-CE1 4.35Å; L220-F225 HydrophobicContact CD2-CE2 4Å; L220-F225 HydrophobicContact CD2-CG 3.7Å; L220-F225 HydrophobicContact CD2-CZ 4.33Å; L220-F225 WeakPolarHBondContact O-CB 3.11Å; L220-F225 PolarHBondContact O-N 2.83Å; R223-F225 HydrophobicContact CB-CD2 4.18Å; R223-F225 HydrophobicContact CB-CE2 4.34Å; F225-A297 HydrophobicContact CB-CB 3.98Å; F225-A297 HydrophobicContact CD1-CB 3.97Å; F225-A297 HydrophobicContact CG-CB 4.31Å; F225-T298 WeakPolarHBondContact CA-O 3.36Å; F225-K299 HydrophobicContact CD1-CB 4.18Å; F225-K299 HydrophobicContact CE1-CB 3.86Å
226	E	97.8	Very high	97.2	Very high	118 Å²	118	74.8 Å²	74.8	55%	0.551	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	172.9	179	-64.2	177.9	-172.7	0	0	110.2	V228 T298 P300	E226-V228 PolarHBondContact O-N 3.3Å; E226-V228 VanDerWaalsContact O-N 3.17Å; E226-T298 PolarHBondContact N-O 3.13Å; E226-T298 PolarHBondContact O-N 3.07Å; E226-P300 HydrophobicContact CG-CG 4.29Å
227	E	97.3	Very high	96.8	Very high	122 Å²	122	78.9 Å²	78.9	57%	0.57	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.8	37.3	176.4	-154.5	-162	170.7	0	0	113.5	R202 R229 T298	R202-E227 IonicContact CZ-OE2 3.96Å; R202-E227 IonicContact NH1-OE2 3.67Å; R202-E227 PolarHBondContact NH1-OE2 2.91Å; E227-R229 PolarHBondContact O-N 3.17Å; E227-T298 PolarHBondContact OE2-OG1 2.88Å
228	V	98.4	Very high	96.5	Very high	50 Å²	50	81.6 Å²	81.6	30%	0.303	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	116.7	179.7	-176	0	0	0	0	109.3	C217 L220 E226 T295 F296 A297	C217-V228 HydrophobicContact CB-CG1 4.18Å; L220-V228 HydrophobicContact CB-CG2 4.15Å; L220-V228 HydrophobicContact CD1-CG1 4.29Å; E226-V228 PolarHBondContact O-N 3.3Å; E226-V228 VanDerWaalsContact O-N 3.17Å; V228-T295 HydrophobicContact CG1-CG2 4.16Å; V228-F296 CarbonylContact C-O 3.52Å; V228-F296 VanDerWaalsContact CA-O 3.32Å; V228-F296 WeakPolarHBondContact CA-O 3.32Å; V228-A297 HydrophobicContact CG2-CB 4.07Å
229	R	98.2	Very high	96.1	Very high	138 Å²	138	80.4 Å²	80.4	52%	0.521	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	125.3	-176.7	-175	177.3	179.9	-175.6	-2.1	111.3	E227 L231 T295 F296	E227-R229 PolarHBondContact O-N 3.17Å; R229-L231 HydrophobicContact CG-CD2 4.42Å; R229-L231 HydrophobicContact CG-CG 4.42Å; R229-T295 WeakPolarHBondContact O-CA 3.47Å; R229-F296 PolarHBondContact N-O 3.11Å; R229-F296 PolarHBondContact O-N 2.94Å
230	T	98.6	Very high	95.9	Very high	52 Å²	52	85.1 Å²	85.1	32%	0.319	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.5	173.7	-56.6	0	0	0	0	111	V213 Y293 L294 T295	V213-T230 HydrophobicContact CG1-CG2 3.91Å; T230-Y293 HydrophobicContact CG2-CD1 4.25Å; T230-Y293 HydrophobicContact CG2-CG 4.39Å; T230-L294 CarbonylContact C-O 3.43Å; T230-L294 WeakPolarHBondContact CA-O 3.39Å; T230-T295 PolarHBondContact OG1-OG1 3.25Å
231	L	97.7	Very high	95.6	Very high	38 Å²	38	91.3 Å²	91.3	20%	0.199	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.7	179.3	-62.9	173	0	0	0	110.2	M94 M98 R229 L294 F296	M94-L231 HydrophobicContact CE-CD1 4.37Å; M98-L231 HydrophobicContact CE-CD1 4.22Å; R229-L231 HydrophobicContact CG-CD2 4.42Å; R229-L231 HydrophobicContact CG-CG 4.42Å; L231-L294 PolarHBondContact N-O 3.44Å; L231-L294 PolarHBondContact O-N 2.86Å; L231-F296 HydrophobicContact CD1-CD2 4.08Å; L231-F296 HydrophobicContact CD1-CE2 3.93Å
232	E	97.6	Very high	95.3	Very high	81 Å²	81	92 Å²	92	38%	0.379	46%	0.457	S	S	.	.			trans	-131.4	139.9	164.6	177.6	-176	-157.5	0	0	107.2	L234 H290 Y293	E232-L234 HydrophobicContact CG-CD2 4.24Å; E232-L234 HydrophobicContact CG-CG 4.36Å; E232-H290 IonicContact OE1-CE1 2.75Å; E232-H290 IonicContact OE1-CG 3.83Å; E232-H290 IonicContact OE1-ND1 3.68Å; E232-H290 PolarHBondContact OE1-ND1 2.93Å; E232-Y293 HydrophobicContact CB-CD1 4.4Å
233	V	95.1	Very high	95.1	Very high	40 Å²	40	87.6 Å²	87.6	24%	0.242	44%	0.438	C	S	.	.			trans	-126.5	116.4	-179.8	-173.7	0	0	0	0	110.9	T90 M94	T90-V233 HydrophobicContact CG2-CB 4.35Å; T90-V233 HydrophobicContact CG2-CG1 3.59Å; M94-V233 HydrophobicContact CE-CG2 4.34Å; M94-V233 HydrophobicContact CG-CB 4.33Å; M94-V233 HydrophobicContact CG-CG1 4.3Å; M94-V233 HydrophobicContact CG-CG2 3.77Å; M94-V233 HydrophobicContact SD-CG2 4.34Å
234	L	93.4	Very high	94.9	Very high	109 Å²	109	84 Å²	84	57%	0.571	43%	0.432	S	S	*	.			trans	-104.6	115.7	-176.9	-61.6	176.3	0	0	0	111	E232 G289	E232-L234 HydrophobicContact CG-CD2 4.24Å; E232-L234 HydrophobicContact CG-CG 4.36Å; L234-G289 WeakPolarHBondContact CD2-O 3.28Å
235	L	91.8	Very high	94.6	Very high	103 Å²	103	86.4 Å²	86.4	54%	0.539	44%	0.437	S	S	.	.			trans	-79.7	129.2	176.1	179.4	66.4	0	0	0	111.2	T90 V237	T90-L235 HydrophobicContact CG2-CB 4.2Å; L235-V237 HydrophobicContact CD1-CG2 4.39Å; L235-V237 HydrophobicContact CD2-CG2 3.82Å; L235-V237 HydrophobicContact CG-CG2 3.94Å
236	R	90.9	Very high	94.3	Very high	153 Å²	153	91.9 Å²	91.9	58%	0.577	46%	0.462	S	S	*	.			trans	-119.7	110.9	169.7	-172.9	172.6	-65.3	168.3	3.8	110.6	P283 M287	R236-P283 HydrophobicContact CG-CB 4.38Å; R236-M287 HydrophobicContact CB-SD 4.35Å; R236-M287 HydrophobicContact CG-SD 3.69Å; R236-M287 PolarHBondContact NE-SD 3.43Å; R236-M287 VanDerWaalsContact NE-SD 3.43Å
237	V	90.3	Very high	93.7	Very high	85 Å²	85	90.2 Å²	90.2	52%	0.515	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-93.9	125.8	178.6	-177.5	0	0	0	0	110.1	L235 P284	L235-V237 HydrophobicContact CD1-CG2 4.39Å; L235-V237 HydrophobicContact CD2-CG2 3.82Å; L235-V237 HydrophobicContact CG-CG2 3.94Å; V237-P284 WeakPolarHBondContact O-CD 3.45Å; V237-P284 WeakPolarHBondContact O-CG 3.38Å
238	H	92.6	Very high	93.3	Very high	86 Å²	86	88.5 Å²	88.5	40%	0.398	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-99.5	129	-177.2	-80.7	-118.7	0	0	0	111.7	T281	H238-T281 PolarHBondContact ND1-OG1 2.97Å
239	N	91.6	Very high	92.6	Very high	89 Å²	89	92.6 Å²	92.6	48%	0.476	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.4	170.8	-72.5	-44.3	0	0	0	110	T281 T282	N239-T281 CarbonylContact O-C 3.6Å; N239-T281 VanDerWaalsContact O-CA 3.31Å; N239-T281 WeakPolarHBondContact O-CA 3.48Å; N239-T282 PolarHBondContact N-O 2.82Å; N239-T282 PolarHBondContact O-N 3.11Å
240	V	93.2	Very high	92	Very high	114 Å²	114	95 Å²	95	69%	0.691	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.7	174.5	-175.4	0	0	0	0	108.8	T281	V240-T281 HydrophobicContact CG2-CG2 4.19Å
241	R	92.6	Very high	91.1	Very high	129 Å²	129	94.3 Å²	94.3	49%	0.487	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.3	178.5	63.9	179.5	-174.4	165.1	5.1	112.5	V243 T280 T282	R241-V243 HydrophobicContact CG-CG2 4.09Å; R241-T280 PolarHBondContact N-O 2.89Å; R241-T280 PolarHBondContact O-N 2.96Å; R241-T280 VanDerWaalsContact O-O 3.06Å; R241-T282 PolarHBondContact NE-OG1 2.98Å; R241-T282 VanDerWaalsContact NE-OG1 3.12Å
242	P	93.5	Very high	90.3	Very high	107 Å²	107	98.4 Å²	98.4	70%	0.695	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.8	164.2	30.5	-31.8	0	0	0	109.3	I278	P242-I278 CarbonylContact C-O 3.52Å; P242-I278 WeakPolarHBondContact CA-O 3.21Å
243	V	92.6	Very high	89	Confident	36 Å²	36	100.5 Å²	100.5	22%	0.218	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.6	171.9	177.2	0	0	0	0	108	R241 L245 I278 T280	R241-V243 HydrophobicContact CG-CG2 4.09Å; V243-L245 HydrophobicContact CG1-CD2 4.17Å; V243-I278 HydrophobicContact CB-CG1 4.49Å; V243-I278 PolarHBondContact N-O 3.19Å; V243-I278 PolarHBondContact O-N 3.32Å; V243-T280 HydrophobicContact CB-CG2 4.02Å; V243-T280 HydrophobicContact CG2-CG2 3.44Å; V243-T280 VanDerWaalsContact CG2-CG2 3.44Å
244	T	93.6	Very high	87.4	Confident	69 Å²	69	104.1 Å²	104.1	42%	0.423	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.9	116.1	172.6	-54.6	0	0	0	0	107.9	L276 K277	T244-L276 WeakPolarHBondContact CA-O 3.45Å; T244-K277 HydrophobicContact CG2-CG 4.36Å
245	L	92	Very high	85.6	Confident	86 Å²	86	103.8 Å²	103.8	45%	0.45	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.6	121.2	170.5	-62.7	176	0	0	0	107.7	V243 L247 S275 L276 I278	V243-L245 HydrophobicContact CG1-CD2 4.17Å; L245-L247 PolarHBondContact O-N 3.15Å; L245-S275 WeakPolarHBondContact O-CA 3.38Å; L245-L276 PolarHBondContact N-O 2.77Å; L245-L276 PolarHBondContact O-N 3.11Å; L245-I278 HydrophobicContact CD1-CD1 3.79Å; L245-I278 HydrophobicContact CG-CD1 4.38Å
246	Q	90.9	Very high	83.7	Confident	124 Å²	124	103 Å²	103	58%	0.579	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.4	124.3	170.8	-60.1	-63.2	-3.8	0	0	107.7
247	L	86.8	Confident	81.7	Confident	83 Å²	83	100.7 Å²	100.7	44%	0.435	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-72.6	138.6	172.1	-62.5	171.5	0	0	0	107.8	L245 D249 A274	L245-L247 PolarHBondContact O-N 3.15Å; L247-D249 PolarHBondContact O-N 3.27Å; L247-A274 HydrophobicContact CB-CB 4.38Å; L247-A274 WeakPolarHBondContact CB-O 3.37Å; L247-A274 HydrophobicContact CD1-CB 3.76Å; L247-A274 WeakPolarHBondContact CG-O 3.31Å; L247-A274 PolarHBondContact N-O 2.8Å
248	P	87.1	Confident	79.7	Confident	86 Å²	86	101.6 Å²	101.6	56%	0.558	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-60.1	133.7	174.1	-16	28.4	0	0	0	109.4	F250	P248-F250 HydrophobicContact CB-CD2 4.31Å; P248-F250 HydrophobicContact CB-CE1 4.12Å; P248-F250 HydrophobicContact CB-CE2 3.73Å; P248-F250 HydrophobicContact CB-CZ 3.63Å; P248-F250 HydrophobicContact CG-CE2 4.03Å; P248-F250 HydrophobicContact CG-CZ 3.87Å; P248-F250 WeakPolarHBondContact O-CD2 3.13Å; P248-F250 PolarHBondContact O-N 3.48Å
249	D	85.6	Confident	77.4	Confident	136 Å²	136	102.6 Å²	102.6	73%	0.727	61%	0.607	S	S	*	*			trans	-79.4	112.4	168.4	-176.2	1	0	0	0	108.1	L247 G251	L247-D249 PolarHBondContact O-N 3.27Å; D249-G251 VanDerWaalsContact C-N 3.32Å; D249-G251 PolarHBondContact OD1-N 2.78Å
250	F	84.3	Confident	75	Confident	190 Å²	190	107.4 Å²	107.4	83%	0.833	63%	0.627	S	S	*	*			trans	-93.2	8.7	178.6	-66.2	-72.8	0	0	0	112.6	P248	P248-F250 HydrophobicContact CB-CD2 4.31Å; P248-F250 HydrophobicContact CB-CE1 4.12Å; P248-F250 HydrophobicContact CB-CE2 3.73Å; P248-F250 HydrophobicContact CB-CZ 3.63Å; P248-F250 HydrophobicContact CG-CE2 4.03Å; P248-F250 HydrophobicContact CG-CZ 3.87Å; P248-F250 WeakPolarHBondContact O-CD2 3.13Å; P248-F250 PolarHBondContact O-N 3.48Å
251	G	81.1	Confident	72.8	Confident	36 Å²	36	106.7 Å²	106.7	37%	0.371	63%	0.633	S	S	.	*			trans	82.6	179.5	-173.1	0	0	0	0	0	112.6	D249	D249-G251 VanDerWaalsContact C-N 3.32Å; D249-G251 PolarHBondContact OD1-N 2.78Å
252	P	79.6	Confident	70.3	Confident	124 Å²	124	106.6 Å²	106.6	81%	0.805	65%	0.647	S	S	*	*	S	Bend	trans	-63.7	138.5	-178.7	24.8	-32.1	0	0	0	111.5	S254	P252-S254 PolarHBondContact O-N 3.44Å
253	D	71.5	Confident	67.9	Low	126 Å²	126	110.4 Å²	110.4	67%	0.674	66%	0.655	S	S	*	*			trans	-55.9	122.6	176	-77	-34.4	0	0	0	110.3	S255 S256	D253-S255 PolarHBondContact O-N 2.77Å; D253-S256 PolarHBondContact O-N 2.98Å; D253-S256 VanDerWaalsContact O-N 3.1Å; D253-S256 PolarHBondContact O-OG 2.93Å
254	S	60.7	Low	65.8	Low	116 Å²	116	118.4 Å²	118.4	81%	0.811	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-3.2	179.4	56.6	0	0	0	0	114.1	P252 S257	P252-S254 PolarHBondContact O-N 3.44Å; S254-S257 PolarHBondContact O-OG 2.9Å
255	S	56	Low	63.5	Low	102 Å²	102	119 Å²	119	71%	0.713	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-2.1	174.9	56.4	0	0	0	0	114.3	D253	D253-S255 PolarHBondContact O-N 2.77Å
256	S	52.4	Low	61.3	Low	85 Å²	85	120.2 Å²	120.2	59%	0.594	72%	0.716	S	S	*	*	S	Bend	trans	-101.6	-2.1	-179.1	63.4	0	0	0	0	114.9	D253 S258	D253-S256 PolarHBondContact O-N 2.98Å; D253-S256 VanDerWaalsContact O-N 3.1Å; D253-S256 PolarHBondContact O-OG 2.93Å; S256-S258 VanDerWaalsContact C-N 3.3Å; S256-S258 PolarHBondContact O-N 3.43Å; S256-S258 VanDerWaalsContact O-N 3.11Å
257	S	48.5	Very low	59.1	Low	105 Å²	105	120.7 Å²	120.7	73%	0.734	73%	0.729	S	S	*	*			trans	-88.2	49.6	-177.2	55.7	0	0	0	0	114	S254	S254-S257 PolarHBondContact O-OG 2.9Å
258	S	48.6	Very low	57.4	Low	105 Å²	105	121.6 Å²	121.6	73%	0.734	74%	0.743	S	S	*	*			trans	-142.8	61.2	167.4	61.1	0	0	0	0	114.1	S256	S256-S258 VanDerWaalsContact C-N 3.3Å; S256-S258 PolarHBondContact O-N 3.43Å; S256-S258 VanDerWaalsContact O-N 3.11Å
259	S	43.4	Very low	55.7	Low	106 Å²	106	122 Å²	122	74%	0.741	75%	0.754	S	S	*	*	S	Bend	trans	-177	112.1	139.3	49.5	0	0	0	0	112.6
260	Q	41.9	Very low	54.3	Low	190 Å²	190	119.6 Å²	119.6	89%	0.888	75%	0.753	S	S	*	*			trans	62.1	115.3	143.6	-66.4	-179.6	-12.2	0	0	119.8
261	A	46.4	Very low	53.1	Low	99 Å²	99	116.2 Å²	116.2	82%	0.818	75%	0.75	S	S	*	*			trans	-63.5	133.7	166.1	0	0	0	0	0	111.8
262	T	40.8	Very low	52.1	Low	128 Å²	128	121.9 Å²	121.9	79%	0.785	77%	0.771	S	S	*	*			trans	-162.9	135.2	146.2	2.9	0	0	0	0	111.3
263	E	43.1	Very low	51.5	Low	186 Å²	186	119.5 Å²	119.5	87%	0.869	76%	0.756	S	S	*	*			trans	71.1	128.3	156.7	-69.1	-177.6	156.1	0	0	121.9	A265	E263-A265 PolarHBondContact O-N 2.87Å
264	E	48.4	Very low	52	Low	204 Å²	204	116.6 Å²	116.6	95%	0.953	75%	0.749	S	S	*	*			trans	-62.4	105.7	174.8	-70.3	175.9	142.2	0	0	111.4
265	A	44.2	Very low	53.2	Low	83 Å²	83	113.9 Å²	113.9	69%	0.686	73%	0.731	S	S	*	*			trans	-93.5	146.4	159.5	0	0	0	0	0	109.5	E263	E263-A265 PolarHBondContact O-N 2.87Å
266	P	45.3	Very low	54.9	Low	111 Å²	111	113.3 Å²	113.3	72%	0.721	72%	0.719	S	S	*	*			trans	-59	154	176.2	27.1	-33.3	0	0	0	109.7	S268	P266-S268 PolarHBondContact O-N 3.12Å
267	P	44.8	Very low	56.8	Low	133 Å²	133	117.1 Å²	117.1	86%	0.864	73%	0.725	S	S	*	*			trans	-60.8	100.7	-175.8	24.9	-32.4	0	0	0	109.2	A269	P267-A269 PolarHBondContact O-N 3.31Å
268	S	51.4	Low	58.9	Low	103 Å²	103	115.2 Å²	115.2	72%	0.72	71%	0.706	S	S	*	*			trans	-62	127.6	170.1	61.1	0	0	0	0	106.5	P266 A270	P266-S268 PolarHBondContact O-N 3.12Å; S268-A270 PolarHBondContact O-N 2.7Å; S268-A270 VanDerWaalsContact O-N 3.17Å
269	A	52	Low	61.2	Low	95 Å²	95	119.2 Å²	119.2	79%	0.785	71%	0.71	S	S	*	*			trans	-41.3	126	175.7	0	0	0	0	0	109.6	P267	P267-A269 PolarHBondContact O-N 3.31Å
270	A	54.9	Low	63.6	Low	85 Å²	85	116.7 Å²	116.7	70%	0.702	69%	0.69	S	S	*	*			trans	-45.9	132.4	-177.3	0	0	0	0	0	109.5	S268 N272	S268-A270 PolarHBondContact O-N 2.7Å; S268-A270 VanDerWaalsContact O-N 3.17Å; A270-N272 PolarHBondContact O-N 3.35Å; A270-N272 VanDerWaalsContact O-N 3.14Å
271	P	59.5	Low	66.1	Low	119 Å²	119	110.9 Å²	110.9	77%	0.773	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-54.2	127.5	177.6	21.6	-30.5	0	0	0	107.8
272	N	60.3	Low	68.2	Low	155 Å²	155	107.7 Å²	107.7	83%	0.829	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-49.9	129.8	178.3	-89.4	-29.8	0	0	0	108.3	A270 A274	A270-N272 PolarHBondContact O-N 3.35Å; A270-N272 VanDerWaalsContact O-N 3.14Å; N272-A274 PolarHBondContact O-N 3.04Å
273	P	66.4	Low	70.5	Confident	73 Å²	73	104.7 Å²	104.7	47%	0.474	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-53	133.5	-177.9	19.2	-30.5	0	0	0	109.1	S275	P273-S275 PolarHBondContact O-N 3.01Å
274	A	82.4	Confident	72.4	Confident	65 Å²	65	98 Å²	98	54%	0.537	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-55.2	131.8	-179.9	0	0	0	0	0	108.4	L247 N272	L247-A274 HydrophobicContact CB-CB 4.38Å; L247-A274 WeakPolarHBondContact CB-O 3.37Å; L247-A274 HydrophobicContact CD1-CB 3.76Å; L247-A274 WeakPolarHBondContact CG-O 3.31Å; L247-A274 PolarHBondContact N-O 2.8Å; N272-A274 PolarHBondContact O-N 3.04Å
275	S	86.9	Confident	74	Confident	60 Å²	60	100.7 Å²	100.7	42%	0.42	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.3	140	-175.4	64	0	0	0	0	110.7	L245 P273	L245-S275 WeakPolarHBondContact O-CA 3.38Å; P273-S275 PolarHBondContact O-N 3.01Å
276	L	90.3	Very high	75.8	Confident	89 Å²	89	105 Å²	105	47%	0.466	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.4	118.5	177.2	-175.4	70.4	0	0	0	109.1	T244 L245 I278	T244-L276 WeakPolarHBondContact CA-O 3.45Å; L245-L276 PolarHBondContact N-O 2.77Å; L245-L276 PolarHBondContact O-N 3.11Å; L276-I278 HydrophobicContact CD2-CG2 3.87Å; L276-I278 HydrophobicContact CG-CG2 3.9Å
277	K	92.4	Very high	77.3	Confident	166 Å²	166	103.8 Å²	103.8	72%	0.722	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.7	118.1	172.9	-68.4	-179.2	-177.8	174.5	0	109.7	T244	T244-K277 HydrophobicContact CG2-CG 4.36Å
278	I	94.1	Very high	78.8	Confident	64 Å²	64	102.7 Å²	102.7	33%	0.328	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.5	144.3	176.3	58.8	173.2	0	0	0	110.8	P242 V243 L245 L276	P242-I278 CarbonylContact C-O 3.52Å; P242-I278 WeakPolarHBondContact CA-O 3.21Å; V243-I278 HydrophobicContact CB-CG1 4.49Å; V243-I278 PolarHBondContact N-O 3.19Å; V243-I278 PolarHBondContact O-N 3.32Å; L245-I278 HydrophobicContact CD1-CD1 3.79Å; L245-I278 HydrophobicContact CG-CD1 4.38Å; L276-I278 HydrophobicContact CD2-CG2 3.87Å; L276-I278 HydrophobicContact CG-CG2 3.9Å
279	K	95.3	Very high	80.4	Confident	189 Å²	189	100.4 Å²	100.4	82%	0.822	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.4	126.2	164.1	-76	-177.5	-179.3	175.9	0	108
280	T	94.6	Very high	82.2	Confident	53 Å²	53	99.8 Å²	99.8	33%	0.325	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.4	173.1	178.8	-171.2	0	0	0	0	110.3	R241 V243	R241-T280 PolarHBondContact N-O 2.89Å; R241-T280 PolarHBondContact O-N 2.96Å; R241-T280 VanDerWaalsContact O-O 3.06Å; V243-T280 HydrophobicContact CB-CG2 4.02Å; V243-T280 HydrophobicContact CG2-CG2 3.44Å; V243-T280 VanDerWaalsContact CG2-CG2 3.44Å
281	T	94.4	Very high	83.9	Confident	68 Å²	68	98 Å²	98	42%	0.417	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.6	172.2	77.7	0	0	0	0	110.1	H238 N239 V240	H238-T281 PolarHBondContact ND1-OG1 2.97Å; N239-T281 CarbonylContact O-C 3.6Å; N239-T281 VanDerWaalsContact O-CA 3.31Å; N239-T281 WeakPolarHBondContact O-CA 3.48Å; V240-T281 HydrophobicContact CG2-CG2 4.19Å
282	T	91.1	Very high	85.6	Confident	32 Å²	32	92.4 Å²	92.4	20%	0.196	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.9	174.4	53.1	0	0	0	0	110.1	N239 R241	N239-T282 PolarHBondContact N-O 2.82Å; N239-T282 PolarHBondContact O-N 3.11Å; R241-T282 PolarHBondContact NE-OG1 2.98Å; R241-T282 VanDerWaalsContact NE-OG1 3.12Å
283	P	88.8	Confident	87.4	Confident	65 Å²	65	88 Å²	88	42%	0.422	47%	0.469	S	S	.	.			trans	-62.3	159	170	29.6	-34.3	0	0	0	109.7	R236	R236-P283 HydrophobicContact CG-CB 4.38Å
284	P	83.8	Confident	89	Confident	46 Å²	46	84.5 Å²	84.5	30%	0.299	45%	0.447	S	S	.	.			trans	-68.3	156.1	175	-6.1	27.4	0	0	0	108.3	V237 E286	V237-P284 WeakPolarHBondContact O-CD 3.45Å; V237-P284 WeakPolarHBondContact O-CG 3.38Å; P284-E286 PolarHBondContact O-N 2.86Å
285	R	80.9	Confident	89.8	Confident	260 Å²	260	81.4 Å²	81.4	98%	0.981	42%	0.421	S	S	*	.	S	Bend	trans	-63.7	-30.3	-179.1	-72.6	-176.2	174.9	179.8	-2.3	112.6
286	E	82.4	Confident	90.3	Very high	175 Å²	175	78.6 Å²	78.6	82%	0.818	40%	0.401	S	S	*	.	S	Bend	trans	-121.2	134.3	177.1	-67.4	171.2	-166.7	0	0	108.1	P284	P284-E286 PolarHBondContact O-N 2.86Å
287	M	76.4	Confident	90.7	Very high	85 Å²	85	74.3 Å²	74.3	42%	0.419	38%	0.379	S	S	.	.			trans	-120.2	143.1	173.4	-63.7	-172.5	-49.2	0	0	108.6	R236 G289	R236-M287 HydrophobicContact CB-SD 4.35Å; R236-M287 HydrophobicContact CG-SD 3.69Å; R236-M287 PolarHBondContact NE-SD 3.43Å; R236-M287 VanDerWaalsContact NE-SD 3.43Å; M287-G289 PolarHBondContact O-N 3.1Å
288	P	76.5	Confident	91	Very high	110 Å²	110	68 Å²	68	71%	0.714	35%	0.354	S	S	*	.			trans	-52.5	131.9	164.7	-20.1	31.6	0	0	0	109
289	G	85	Confident	91.2	Very high	55 Å²	55	65.7 Å²	65.7	57%	0.567	34%	0.341	S	S	*	.			trans	-80.3	-123.2	176.4	0	0	0	0	0	110.6	L234 M287	L234-G289 WeakPolarHBondContact CD2-O 3.28Å; M287-G289 PolarHBondContact O-N 3.1Å
290	H	89.6	Confident	91.2	Very high	81 Å²	81	58.1 Å²	58.1	38%	0.375	31%	0.312	S	S	.	.			trans	-79.3	131	-179.5	-177.9	63.2	0	0	0	111.9	P208 E232 G292 Y293	P208-H290 PolarHBondContact O-NE2 2.96Å; E232-H290 IonicContact OE1-CE1 2.75Å; E232-H290 IonicContact OE1-CG 3.83Å; E232-H290 IonicContact OE1-ND1 3.68Å; E232-H290 PolarHBondContact OE1-ND1 2.93Å; H290-G292 VanDerWaalsContact CE1-C 3.43Å; H290-G292 WeakPolarHBondContact CE1-CA 3.4Å; H290-G292 WeakPolarHBondContact NE2-CA 3.28Å; H290-Y293 AromaticContact CE1-CD2 3.72Å; H290-Y293 AromaticContact CE1-CE1 3.97Å; H290-Y293 AromaticContact CE1-CE2 3.47Å; H290-Y293 VanDerWaalsContact CE1-CE2 3.47Å; H290-Y293 WeakPolarHBondContact CE1-CE2 3.35Å; H290-Y293 AromaticContact CE1-CZ 3.61Å; H290-Y293 AromaticContact NE2-CD2 3.81Å; H290-Y293 AromaticContact NE2-CE2 3.48Å; H290-Y293 WeakPolarHBondContact NE2-CE2 3.42Å
291	T	90.5	Very high	91	Very high	49 Å²	49	65.5 Å²	65.5	30%	0.301	33%	0.334	S	S	.	.			trans	-91.6	-60.2	165.4	52.5	0	0	0	0	110.2	D91 F206	D91-T291 WeakPolarHBondContact OD2-CB 3.12Å; D91-T291 PolarHBondContact OD2-OG1 2.82Å; F206-T291 WeakPolarHBondContact CZ-O 3.2Å
292	G	95.8	Very high	90	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.355	C	S	.	.			trans	177	169.5	179	0	0	0	0	0	111.7	H290	H290-G292 VanDerWaalsContact CE1-C 3.43Å; H290-G292 WeakPolarHBondContact CE1-CA 3.4Å; H290-G292 WeakPolarHBondContact NE2-CA 3.28Å
293	Y	98.5	Very high	90	Very high	62 Å²	62	70.9 Å²	70.9	24%	0.243	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.1	174	-57.3	-79.7	0	0	0	110.3	F206 S207 I210 V213 T230 E232 H290	F206-Y293 CarbonylContact C-O 3.52Å; F206-Y293 WeakPolarHBondContact CA-O 3.47Å; S207-Y293 PolarHBondContact N-O 3.42Å; S207-Y293 WeakPolarHBondContact O-CD2 3.45Å; S207-Y293 PolarHBondContact O-N 3.21Å; I210-Y293 HydrophobicContact CB-CE2 4.21Å; I210-Y293 HydrophobicContact CD1-CD1 4.46Å; I210-Y293 HydrophobicContact CD1-CD2 4.35Å; I210-Y293 HydrophobicContact CD1-CE1 4.18Å; I210-Y293 HydrophobicContact CD1-CE2 4.08Å; V213-Y293 HydrophobicContact CG2-CD2 3.81Å; V213-Y293 HydrophobicContact CG2-CG 3.84Å; T230-Y293 HydrophobicContact CG2-CD1 4.25Å; T230-Y293 HydrophobicContact CG2-CG 4.39Å; E232-Y293 HydrophobicContact CB-CD1 4.4Å; H290-Y293 AromaticContact CE1-CD2 3.72Å; H290-Y293 AromaticContact CE1-CE1 3.97Å; H290-Y293 AromaticContact CE1-CE2 3.47Å; H290-Y293 VanDerWaalsContact CE1-CE2 3.47Å; H290-Y293 WeakPolarHBondContact CE1-CE2 3.35Å; H290-Y293 AromaticContact CE1-CZ 3.61Å; H290-Y293 AromaticContact NE2-CD2 3.81Å; H290-Y293 AromaticContact NE2-CE2 3.48Å; H290-Y293 WeakPolarHBondContact NE2-CE2 3.42Å
294	L	98.8	Very high	90	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.3	172.3	-65.2	171.7	0	0	0	109.2	D91 M94 V95 S205 F206 T230 L231 F296	D91-L294 HydrophobicContact CB-CD1 4.34Å; M94-L294 HydrophobicContact CB-CD1 4.18Å; V95-L294 HydrophobicContact CG2-CD1 4.09Å; V95-L294 HydrophobicContact CG2-CD2 3.68Å; S205-L294 CarbonylContact O-C 3.58Å; S205-L294 WeakPolarHBondContact O-CA 3.44Å; F206-L294 HydrophobicContact CB-CD2 4.08Å; F206-L294 HydrophobicContact CD2-CD2 3.77Å; F206-L294 HydrophobicContact CG-CD2 4.43Å; T230-L294 CarbonylContact C-O 3.43Å; T230-L294 WeakPolarHBondContact CA-O 3.39Å; L231-L294 PolarHBondContact N-O 3.44Å; L231-L294 PolarHBondContact O-N 2.86Å; L294-F296 HydrophobicContact CB-CD2 4.44Å; L294-F296 HydrophobicContact CB-CE2 3.58Å; L294-F296 HydrophobicContact CB-CZ 3.92Å; L294-F296 HydrophobicContact CD1-CE2 4.47Å; L294-F296 HydrophobicContact CD1-CZ 4.28Å
295	T	98.9	Very high	90.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.6	177.6	-59.5	0	0	0	0	110.1	C204 S205 L220 V228 R229 T230	C204-T295 CarbonylContact C-O 3.59Å; C204-T295 VanDerWaalsContact CA-O 3.3Å; C204-T295 WeakPolarHBondContact CA-O 3.16Å; S205-T295 PolarHBondContact N-O 3.36Å; S205-T295 PolarHBondContact O-N 3.26Å; L220-T295 HydrophobicContact CD1-CG2 4.01Å; V228-T295 HydrophobicContact CG1-CG2 4.16Å; R229-T295 WeakPolarHBondContact O-CA 3.47Å; T230-T295 PolarHBondContact OG1-OG1 3.25Å
296	F	98.9	Very high	90.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	150.2	178.9	-61.2	-83.5	0	0	0	111.3	M98 L203 C204 V228 R229 L231 L294	M98-F296 HydrophobicContact CB-CD1 3.58Å; M98-F296 HydrophobicContact CB-CD2 4.44Å; M98-F296 HydrophobicContact CB-CE1 3.25Å; M98-F296 HydrophobicContact CB-CE2 4.17Å; M98-F296 HydrophobicContact CB-CG 4.17Å; M98-F296 HydrophobicContact CB-CZ 3.57Å; M98-F296 HydrophobicContact CE-CD2 4.39Å; M98-F296 HydrophobicContact CE-CG 4.48Å; M98-F296 HydrophobicContact CG-CE1 4.16Å; M98-F296 HydrophobicContact CG-CE2 4.25Å; M98-F296 HydrophobicContact CG-CZ 3.97Å; L203-F296 CarbonylContact O-C 3.52Å; L203-F296 VanDerWaalsContact O-CA 3.24Å; L203-F296 WeakPolarHBondContact O-CA 3.44Å; C204-F296 HydrophobicContact CB-CD1 3.65Å; C204-F296 HydrophobicContact CB-CE1 3.55Å; C204-F296 HydrophobicContact CB-CZ 4.49Å; C204-F296 WeakPolarHBondContact SG-CE1 3.46Å; V228-F296 CarbonylContact C-O 3.52Å; V228-F296 VanDerWaalsContact CA-O 3.32Å; V228-F296 WeakPolarHBondContact CA-O 3.32Å; R229-F296 PolarHBondContact N-O 3.11Å; R229-F296 PolarHBondContact O-N 2.94Å; L231-F296 HydrophobicContact CD1-CD2 4.08Å; L231-F296 HydrophobicContact CD1-CE2 3.93Å; L294-F296 HydrophobicContact CB-CD2 4.44Å; L294-F296 HydrophobicContact CB-CE2 3.58Å; L294-F296 HydrophobicContact CB-CZ 3.92Å; L294-F296 HydrophobicContact CD1-CE2 4.47Å; L294-F296 HydrophobicContact CD1-CZ 4.28Å
297	A	98.8	Very high	91.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	159.1	171.2	0	0	0	0	0	111.9	L203 L220 F225 V228	L203-A297 PolarHBondContact N-O 2.89Å; L203-A297 PolarHBondContact O-N 3.26Å; L220-A297 HydrophobicContact CD1-CB 4.03Å; L220-A297 HydrophobicContact CD2-CB 4.06Å; F225-A297 HydrophobicContact CB-CB 3.98Å; F225-A297 HydrophobicContact CD1-CB 3.97Å; F225-A297 HydrophobicContact CG-CB 4.31Å; V228-A297 HydrophobicContact CG2-CB 4.07Å
298	T	98.8	Very high	92.4	Very high	32 Å²	32	52.4 Å²	52.4	20%	0.196	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.7	176	-66.1	0	0	0	0	110.3	R202 F225 E226 E227 P300	R202-T298 PolarHBondContact NH1-OG1 3.48Å; F225-T298 WeakPolarHBondContact CA-O 3.36Å; E226-T298 PolarHBondContact N-O 3.13Å; E226-T298 PolarHBondContact O-N 3.07Å; E227-T298 PolarHBondContact OE2-OG1 2.88Å; T298-P300 WeakPolarHBondContact O-CD 3.47Å
299	K	98.1	Very high	93.6	Very high	16 Å²	16	48.3 Å²	48.3	7%	0.07	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.7	161.8	179.5	-176.2	175.1	-177.3	0	107.6	K193 M196 K197 G200 G201 F225	K193-K299 HydrophobicContact CG-CD 4.12Å; K193-K299 PolarHBondContact O-NZ 2.9Å; M196-K299 HydrophobicContact CB-CD 3.65Å; M196-K299 HydrophobicContact CE-CB 3.59Å; M196-K299 HydrophobicContact CE-CD 4.3Å; M196-K299 PolarHBondContact O-NZ 3.14Å; M196-K299 HydrophobicContact SD-CB 4.14Å; M196-K299 HydrophobicContact SD-CD 4.14Å; K197-K299 WeakPolarHBondContact O-CE 3.2Å; K197-K299 PolarHBondContact O-NZ 3.17Å; G200-K299 WeakPolarHBondContact CA-O 3.1Å; G201-K299 PolarHBondContact N-O 2.82Å; G201-K299 PolarHBondContact O-N 2.84Å; F225-K299 HydrophobicContact CD1-CB 4.18Å; F225-K299 HydrophobicContact CE1-CB 3.86Å
300	P	95	Very high	94.2	Very high	30 Å²	30	47.8 Å²	47.8	20%	0.195	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-66.8	161.2	177.7	28	-34.2	0	0	0	111	G224 E226 T298 T302	G224-P300 VanDerWaalsContact O-CD 3.28Å; G224-P300 WeakPolarHBondContact O-CD 3.39Å; E226-P300 HydrophobicContact CG-CG 4.29Å; T298-P300 WeakPolarHBondContact O-CD 3.47Å; P300-T302 PolarHBondContact O-N 2.75Å
301	R	89.8	Confident	94.6	Very high	209 Å²	209	45 Å²	45	79%	0.789	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-68.9	128.5	173.4	-54.4	-158.8	167.6	155.8	0.8	109	H199	H199-R301 VanDerWaalsContact O-CG 3.31Å; H199-R301 WeakPolarHBondContact O-CG 3.39Å; H199-R301 PolarHBondContact O-NE 3.31Å
302	T	73.8	Confident	95	Very high	141 Å²	141	44.6 Å²	44.6	87%	0.865	22%	0.215	S	C	*	.			trans	-113.8	0	173.1	57.9	0	0	0	0	110.7	K198 P300	K198-T302 PolarHBondContact O-N 3.23Å; K198-T302 PolarHBondContact O-OG1 3.25Å; P300-T302 PolarHBondContact O-N 2.75Å

Retrieved 302 of 302 residues in 139.6 ms (Link to these results)

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