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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 A0A060VY90, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 296 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	67.9	Low	91.6	Very high	24 Å²	24	69.1 Å²	69.1	12%	0.118	33%	0.325	C	S	.	.				0	154.1	0	-178.7	-138.4	-72.7	0	0	110.7	S7 D14 F54 H70 P71 R152	M1-S7 WeakPolarHBondContact CG-OG 3.47Å; M1-D14 HydrophobicContact CB-CB 4.37Å; M1-D14 VanDerWaalsContact CB-CG 3.45Å; M1-D14 WeakPolarHBondContact CB-OD1 3.4Å; M1-D14 HydrophobicContact CE-CB 4.07Å; M1-D14 PolarHBondContact N-OD1 3.36Å; M1-F54 HydrophobicContact CE-CD2 4.12Å; M1-F54 HydrophobicContact CE-CE1 3.66Å; M1-F54 HydrophobicContact CE-CE2 3.11Å; M1-F54 HydrophobicContact CE-CZ 2.84Å; M1-H70 WeakPolarHBondContact CG-NE2 3.36Å; M1-H70 VanDerWaalsContact SD-CE1 3.54Å; M1-H70 PolarHBondContact SD-NE2 2.91Å; M1-P71 HydrophobicContact CE-CG 4.08Å; M1-P71 WeakPolarHBondContact SD-CD 3.39Å; M1-P71 HydrophobicContact SD-CG 3.12Å; M1-P71 WeakPolarHBondContact SD-CG 3.22Å; M1-R152 VanDerWaalsContact N-NH1 3.18Å; M1-R152 WeakPolarHBondContact O-CD 3.39Å
2	S	81.6	Confident	92	Very high	16 Å²	16	71.8 Å²	71.8	11%	0.112	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-123.6	160.9	170.1	72.7	0	0	0	0	110.7	V4 E5	S2-V4 PolarHBondContact O-N 3.18Å; S2-V4 VanDerWaalsContact O-N 3.14Å; S2-V4 WeakPolarHBondContact OG-CG2 3.3Å; S2-V4 PolarHBondContact OG-N 2.97Å; S2-E5 PolarHBondContact OG-N 3.37Å; S2-E5 VanDerWaalsContact OG-N 3.15Å
3	F	92.9	Very high	92.2	Very high	13 Å²	13	68.1 Å²	68.1	6%	0.057	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-2.4	169.4	-86.2	-105.8	0	0	0	113.8	P71 P73 W76 H119 H151 V153	F3-P71 HydrophobicContact CE1-CB 3.95Å; F3-P71 HydrophobicContact CE2-CB 4.01Å; F3-P71 HydrophobicContact CE2-CG 4.33Å; F3-P71 HydrophobicContact CZ-CB 3.68Å; F3-P71 HydrophobicContact CZ-CG 4.48Å; F3-P73 HydrophobicContact CD1-CG 4.41Å; F3-W76 HydrophobicContact CE1-CB 3.54Å; F3-W76 AromaticContact CE1-CG 3.97Å; F3-W76 HydrophobicContact CE1-CG 3.97Å; F3-W76 HydrophobicContact CZ-CB 3.94Å; F3-W76 HydrophobicContact CZ-CD2 4.16Å; F3-W76 HydrophobicContact CZ-CE3 4.23Å; F3-W76 HydrophobicContact CZ-CG 4.05Å; F3-H119 AromaticContact CD1-CD2 3.94Å; F3-H151 HydrophobicContact CD2-CB 3.75Å; F3-H151 AromaticContact CD2-CG 3.99Å; F3-H151 HydrophobicContact CE2-CB 3.88Å; F3-H151 AromaticContact CE2-CG 3.58Å; F3-H151 AromaticContact CE2-ND1 3.66Å; F3-V153 HydrophobicContact CB-CG1 4.12Å
4	V	94.8	Very high	92.5	Very high	48 Å²	48	63.4 Å²	63.4	29%	0.291	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-9.2	-174.6	-54.6	0	0	0	0	113.3	S2 A126 V153 L156	S2-V4 PolarHBondContact O-N 3.18Å; S2-V4 VanDerWaalsContact O-N 3.14Å; S2-V4 WeakPolarHBondContact OG-CG2 3.3Å; S2-V4 PolarHBondContact OG-N 2.97Å; V4-A126 HydrophobicContact CB-CB 3.89Å; V4-A126 HydrophobicContact CG1-CB 3.85Å; V4-A126 HydrophobicContact CG2-CB 4.49Å; V4-V153 HydrophobicContact CG1-CG1 3.95Å; V4-L156 HydrophobicContact CG1-CD1 4.05Å
5	E	94.1	Very high	92.7	Very high	146 Å²	146	60.1 Å²	60.1	68%	0.682	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-145.3	137	179.2	-173.1	178.2	-165.9	0	0	110.7	S2	S2-E5 PolarHBondContact OG-N 3.37Å; S2-E5 VanDerWaalsContact OG-N 3.15Å
6	Y	95.8	Very high	92.9	Very high	177 Å²	177	56.3 Å²	56.3	69%	0.694	27%	0.274	S	S	*	.			trans	-74.1	134.4	176.4	-77.1	-68.8	0	0	0	111.8	H70	Y6-H70 WeakPolarHBondContact CA-NE2 3.22Å; Y6-H70 HydrophobicContact CD1-CB 4.29Å; Y6-H70 AromaticContact CD1-CD2 3.83Å; Y6-H70 AromaticContact CD1-CE1 3.74Å; Y6-H70 AromaticContact CD1-CG 3.66Å; Y6-H70 AromaticContact CD1-ND1 3.6Å; Y6-H70 AromaticContact CD1-NE2 3.87Å; Y6-H70 HydrophobicContact CE1-CB 4.31Å; Y6-H70 AromaticContact CE1-CG 4Å; Y6-H70 AromaticContact CE1-ND1 3.79Å
7	S	94.1	Very high	93.2	Very high	32 Å²	32	53 Å²	53	22%	0.224	26%	0.258	C	S	.	.			trans	-110.7	145.9	165.1	70.7	0	0	0	0	111.4	M1 F9 F54 H70	M1-S7 WeakPolarHBondContact CG-OG 3.47Å; S7-F9 PolarHBondContact OG-O 3.2Å; S7-F54 WeakPolarHBondContact O-CD2 3.46Å; S7-H70 PolarHBondContact N-NE2 3.21Å; S7-H70 PolarHBondContact O-CD2 3.42Å
8	E	95.8	Very high	93.4	Very high	105 Å²	105	50.1 Å²	50.1	49%	0.491	24%	0.243	S	C	.	.	S	Bend	trans	-75.6	-40.9	179	-177.6	171.3	-164.3	0	0	112.2	R53 F54	E8-R53 HydrophobicContact CG-CG 4.27Å; E8-R53 VanDerWaalsContact O-CA 3.25Å; E8-R53 WeakPolarHBondContact O-CA 3.38Å; E8-R53 IonicContact OE1-CZ 3.53Å; E8-R53 IonicContact OE1-NE 2.73Å; E8-R53 PolarHBondContact OE1-NE 2.97Å; E8-R53 IonicContact OE1-NH2 3.53Å; E8-R53 PolarHBondContact OE1-NH2 2.7Å; E8-F54 PolarHBondContact O-N 2.81Å
9	F	96.8	Very high	93.5	Very high	94 Å²	94	50.9 Å²	50.9	41%	0.412	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-113	145.8	-173.5	-58.8	-84	0	0	0	111.9	S7 G51 Q52 R53	S7-F9 PolarHBondContact OG-O 3.2Å; F9-G51 WeakPolarHBondContact CD1-O 3.36Å; F9-Q52 CarbonylContact C-O 3.6Å; F9-Q52 WeakPolarHBondContact CA-O 3.36Å; F9-R53 HydrophobicContact CD1-CG 3.62Å; F9-R53 HydrophobicContact CE1-CG 3.32Å; F9-R53 HydrophobicContact CZ-CG 4.07Å
10	I	97.4	Very high	93.5	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.238	C	C	.	.			trans	-74.3	130.5	173.9	-62.5	152	0	0	0	109.5	V30 L49 G51 Q52 F54 V68	I10-V30 HydrophobicContact CG2-CB 4.43Å; I10-V30 HydrophobicContact CG2-CG1 4.05Å; I10-V30 HydrophobicContact CG2-CG2 3.88Å; I10-L49 WeakPolarHBondContact CB-O 3.43Å; I10-L49 WeakPolarHBondContact CD1-O 3.42Å; I10-L49 HydrophobicContact CG2-CB 4.25Å; I10-G51 PolarHBondContact O-N 2.87Å; I10-Q52 HydrophobicContact CD1-CB 4.09Å; I10-Q52 PolarHBondContact N-O 3.39Å; I10-F54 HydrophobicContact CB-CE2 4.14Å; I10-F54 HydrophobicContact CB-CZ 3.92Å; I10-F54 HydrophobicContact CD1-CD1 4.41Å; I10-F54 HydrophobicContact CD1-CE1 4.21Å; I10-F54 HydrophobicContact CD1-CZ 4.37Å; I10-F54 HydrophobicContact CG1-CD1 3.88Å; I10-F54 HydrophobicContact CG1-CD2 4.01Å; I10-F54 HydrophobicContact CG1-CE1 3.41Å; I10-F54 VanDerWaalsContact CG1-CE1 3.41Å; I10-F54 HydrophobicContact CG1-CE2 3.52Å; I10-F54 HydrophobicContact CG1-CG 4.15Å; I10-F54 HydrophobicContact CG1-CZ 3.15Å; I10-F54 HydrophobicContact CG2-CZ 4.33Å; I10-V68 HydrophobicContact CD1-CB 4.26Å; I10-V68 HydrophobicContact CD1-CG1 3.69Å; I10-V68 HydrophobicContact CG1-CG1 4.44Å
11	Q	96.4	Very high	93.1	Very high	103 Å²	103	47.8 Å²	47.8	48%	0.481	24%	0.235	S	C	.	.			trans	-120.2	166.2	177.3	-61.2	-179.6	-9.6	0	0	111.9	D14	Q11-D14 PolarHBondContact N-OD2 3.38Å; Q11-D14 WeakPolarHBondContact O-CB 3.49Å; Q11-D14 PolarHBondContact O-N 2.91Å
12	E	96.4	Very high	93.5	Very high	102 Å²	102	53.6 Å²	53.6	48%	0.477	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	139.7	170	-179.5	164	-142.2	0	0	111.5	D14 Q32 I50 R152	E12-D14 PolarHBondContact O-N 3.23Å; E12-Q32 WeakPolarHBondContact OE1-CB 3.34Å; E12-Q32 PolarHBondContact OE1-N 2.94Å; E12-I50 HydrophobicContact CB-CD1 4.26Å; E12-R152 PolarHBondContact O-NH2 2.94Å
13	G	94.8	Very high	93.5	Very high	23 Å²	23	60 Å²	60	24%	0.237	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-3.5	-177.1	0	0	0	0	0	114.4	V30	G13-V30 WeakPolarHBondContact CA-O 3.41Å; G13-V30 PolarHBondContact N-O 3.02Å
14	D	96	Very high	93.4	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	31%	0.305	C	S	.	.			trans	-70.4	150.5	172.9	-70	-13.7	0	0	0	111	M1 Q11 E12 V30 R152	M1-D14 HydrophobicContact CB-CB 4.37Å; M1-D14 VanDerWaalsContact CB-CG 3.45Å; M1-D14 WeakPolarHBondContact CB-OD1 3.4Å; M1-D14 HydrophobicContact CE-CB 4.07Å; M1-D14 PolarHBondContact N-OD1 3.36Å; Q11-D14 PolarHBondContact N-OD2 3.38Å; Q11-D14 WeakPolarHBondContact O-CB 3.49Å; Q11-D14 PolarHBondContact O-N 2.91Å; E12-D14 PolarHBondContact O-N 3.23Å; D14-V30 PolarHBondContact O-N 3Å; D14-R152 IonicContact OD1-CZ 2.71Å; D14-R152 IonicContact OD1-NH2 2.79Å
15	V	95.7	Very high	93.4	Very high	13 Å²	13	60.8 Å²	60.8	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.3	166.2	177.3	0	0	0	0	107.8	P27 V28 P71 W76	V15-P27 HydrophobicContact CG1-CB 4.1Å; V15-V28 WeakPolarHBondContact CA-O 3.4Å; V15-P71 VanDerWaalsContact O-CD 3.3Å; V15-P71 WeakPolarHBondContact O-CD 3.18Å; V15-P71 WeakPolarHBondContact O-CG 3.3Å; V15-W76 HydrophobicContact CG1-CZ3 4.3Å
16	A	96.2	Very high	93.4	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.9	178.3	0	0	0	0	0	110.6	P27 V28 V30 F54 V68	A16-P27 CarbonylContact O-C 3.57Å; A16-P27 WeakPolarHBondContact O-CA 3.49Å; A16-V28 PolarHBondContact N-O 3.36Å; A16-V28 PolarHBondContact O-N 3.41Å; A16-V30 HydrophobicContact CB-CG2 4.04Å; A16-F54 HydrophobicContact CB-CE1 4.07Å; A16-V68 HydrophobicContact CB-CG1 3.77Å
17	I	97.1	Very high	93.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.6	175.8	-54.6	-61.1	0	0	0	108.8	F19 M25 P27 L69 P71 L75	I17-F19 PolarHBondContact O-N 3.33Å; I17-M25 HydrophobicContact CG2-CB 4.14Å; I17-M25 HydrophobicContact CG2-CG 4.42Å; I17-M25 HydrophobicContact CG2-SD 4.39Å; I17-P27 HydrophobicContact CD1-CB 3.89Å; I17-L69 HydrophobicContact CB-CB 4.23Å; I17-L69 PolarHBondContact N-O 2.81Å; I17-L69 VanDerWaalsContact N-O 3.08Å; I17-L69 PolarHBondContact O-N 2.84Å; I17-P71 HydrophobicContact CG1-CB 4.29Å; I17-L75 HydrophobicContact CB-CD1 4.45Å; I17-L75 HydrophobicContact CG1-CB 4.02Å; I17-L75 HydrophobicContact CG1-CD1 4.28Å; I17-L75 HydrophobicContact CG2-CB 4.5Å
18	I	97	Very high	93.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.1	176.5	-52	-57.5	0	0	0	108.5	L20 M25 M26 V28 I43 L49 V66 V68	I18-L20 HydrophobicContact CG2-CD2 4.1Å; I18-L20 HydrophobicContact CG2-CG 4.48Å; I18-M25 VanDerWaalsContact O-CA 3.28Å; I18-M25 WeakPolarHBondContact O-CA 3.36Å; I18-M26 HydrophobicContact CB-CG 3.86Å; I18-M26 HydrophobicContact CG1-CG 4.3Å; I18-M26 PolarHBondContact N-O 3.2Å; I18-M26 PolarHBondContact O-N 3.38Å; I18-V28 HydrophobicContact CD1-CG2 4.49Å; I18-V28 HydrophobicContact CG1-CB 4.14Å; I18-V28 HydrophobicContact CG1-CG2 3.56Å; I18-I43 HydrophobicContact CD1-CD1 4.39Å; I18-I43 HydrophobicContact CG2-CD1 4.03Å; I18-L49 HydrophobicContact CD1-CD2 4.44Å; I18-V66 HydrophobicContact CG2-CB 3.94Å; I18-V66 HydrophobicContact CG2-CG1 4.06Å; I18-V66 HydrophobicContact CG2-CG2 3.95Å; I18-V68 HydrophobicContact CD1-CG1 4.12Å; I18-V68 HydrophobicContact CD1-CG2 3.95Å
19	F	96.5	Very high	93.5	Very high	67 Å²	67	47.3 Å²	47.3	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	110	178	-177.6	-93.5	0	0	0	110.4	I17 G21 M25 Y67 L69	I17-F19 PolarHBondContact O-N 3.33Å; F19-G21 VanDerWaalsContact CE2-O 3.28Å; F19-G21 WeakPolarHBondContact CE2-O 3.42Å; F19-M25 HydrophobicContact CB-CG 4.49Å; F19-M25 HydrophobicContact CD2-CG 3.65Å; F19-M25 HydrophobicContact CD2-SD 3.83Å; F19-M25 HydrophobicContact CE2-CG 4.36Å; F19-M25 HydrophobicContact CE2-SD 4.33Å; F19-M25 HydrophobicContact CG-CG 4.46Å; F19-Y67 HydrophobicContact CD1-CD2 4.43Å; F19-Y67 PolarHBondContact N-O 2.84Å; F19-Y67 PolarHBondContact O-N 2.99Å; F19-L69 HydrophobicContact CB-CD1 3.93Å; F19-L69 HydrophobicContact CB-CG 4.14Å; F19-L69 HydrophobicContact CD2-CD1 4.18Å; F19-L69 HydrophobicContact CG-CD1 4.32Å
20	L	92.3	Very high	93.6	Very high	18 Å²	18	42.9 Å²	42.9	9%	0.094	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-18.9	177.9	-57.6	172.2	0	0	0	112.4	I18 S24 M26 T38 R39 Y40 V66	I18-L20 HydrophobicContact CG2-CD2 4.1Å; I18-L20 HydrophobicContact CG2-CG 4.48Å; L20-S24 CarbonylContact C-O 3.5Å; L20-S24 WeakPolarHBondContact CA-O 3.34Å; L20-S24 VanDerWaalsContact CB-O 3.28Å; L20-S24 WeakPolarHBondContact CB-O 3.39Å; L20-S24 PolarHBondContact N-O 3.09Å; L20-M26 HydrophobicContact CD1-CE 3.54Å; L20-M26 HydrophobicContact CD2-CE 4.35Å; L20-M26 HydrophobicContact CG-CE 4.26Å; L20-T38 HydrophobicContact CD2-CG2 4.07Å; L20-R39 PolarHBondContact O-NH2 3.05Å; L20-Y40 HydrophobicContact CB-CE2 4.04Å; L20-Y40 HydrophobicContact CD2-CD2 3.75Å; L20-Y40 HydrophobicContact CD2-CE2 3.99Å; L20-Y40 WeakPolarHBondContact O-CE2 3.44Å; L20-Y40 PolarHBondContact O-OH 2.78Å; L20-Y40 VanDerWaalsContact O-OH 3.11Å; L20-V66 HydrophobicContact CD2-CG1 3.6Å
21	G	86.5	Confident	93.6	Very high	17 Å²	17	47 Å²	47	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.2	174.7	-178.4	0	0	0	0	0	110.4	F19 D23 S24	F19-G21 VanDerWaalsContact CE2-O 3.28Å; F19-G21 WeakPolarHBondContact CE2-O 3.42Å; G21-D23 VanDerWaalsContact C-N 3.26Å; G21-D23 PolarHBondContact O-N 2.92Å; G21-S24 PolarHBondContact N-O 2.7Å; G21-S24 VanDerWaalsContact N-O 3.08Å; G21-S24 CarbonylContact O-C 3.58Å; G21-S24 PolarHBondContact O-N 2.86Å
22	H	75.7	Confident	93.6	Very high	147 Å²	147	48.8 Å²	48.8	68%	0.681	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-44	-174.7	-172.6	-89.9	0	0	0	113
23	D	81.8	Confident	93.5	Very high	149 Å²	149	46.8 Å²	46.8	80%	0.797	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	11.1	-176.9	-44.9	-45.7	0	0	0	112.9	G21	G21-D23 VanDerWaalsContact C-N 3.26Å; G21-D23 PolarHBondContact O-N 2.92Å
24	S	90.6	Very high	93.7	Very high	38 Å²	38	47 Å²	47	27%	0.266	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	106.4	-174.8	-170.8	0	0	0	0	110.9	L20 G21	L20-S24 CarbonylContact C-O 3.5Å; L20-S24 WeakPolarHBondContact CA-O 3.34Å; L20-S24 VanDerWaalsContact CB-O 3.28Å; L20-S24 WeakPolarHBondContact CB-O 3.39Å; L20-S24 PolarHBondContact N-O 3.09Å; G21-S24 PolarHBondContact N-O 2.7Å; G21-S24 VanDerWaalsContact N-O 3.08Å; G21-S24 CarbonylContact O-C 3.58Å; G21-S24 PolarHBondContact O-N 2.86Å
25	M	95.1	Very high	93.8	Very high	40 Å²	40	52.3 Å²	52.3	20%	0.197	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	162.8	173.4	-70.9	171.9	-87	0	0	108.1	I17 I18 F19 L75 L78 N79	I17-M25 HydrophobicContact CG2-CB 4.14Å; I17-M25 HydrophobicContact CG2-CG 4.42Å; I17-M25 HydrophobicContact CG2-SD 4.39Å; I18-M25 VanDerWaalsContact O-CA 3.28Å; I18-M25 WeakPolarHBondContact O-CA 3.36Å; F19-M25 HydrophobicContact CB-CG 4.49Å; F19-M25 HydrophobicContact CD2-CG 3.65Å; F19-M25 HydrophobicContact CD2-SD 3.83Å; F19-M25 HydrophobicContact CE2-CG 4.36Å; F19-M25 HydrophobicContact CE2-SD 4.33Å; F19-M25 HydrophobicContact CG-CG 4.46Å; M25-L75 HydrophobicContact SD-CD2 3.93Å; M25-L78 HydrophobicContact CE-CD1 4.02Å; M25-N79 WeakPolarHBondContact CB-ND2 3.32Å; M25-N79 WeakPolarHBondContact CB-OD1 3.41Å; M25-N79 PolarHBondContact O-OD1 3.01Å
26	M	94.3	Very high	93.8	Very high	45 Å²	45	52.8 Å²	52.8	22%	0.222	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	144.3	168.4	64.3	172.2	106.1	0	0	110.8	I18 L20 V28 T36 T38 N79	I18-M26 HydrophobicContact CB-CG 3.86Å; I18-M26 HydrophobicContact CG1-CG 4.3Å; I18-M26 PolarHBondContact N-O 3.2Å; I18-M26 PolarHBondContact O-N 3.38Å; L20-M26 HydrophobicContact CD1-CE 3.54Å; L20-M26 HydrophobicContact CD2-CE 4.35Å; L20-M26 HydrophobicContact CG-CE 4.26Å; M26-V28 HydrophobicContact CG-CG2 4.12Å; M26-V28 HydrophobicContact SD-CG2 4.09Å; M26-T36 HydrophobicContact CE-CG2 4.49Å; M26-T36 HydrophobicContact SD-CG2 3.84Å; M26-T38 HydrophobicContact CE-CG2 3.78Å; M26-N79 PolarHBondContact N-OD1 2.9Å
27	P	95.8	Very high	93.8	Very high	43 Å²	43	59 Å²	59	28%	0.279	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.3	170.5	32.9	-23.8	0	0	0	109.8	V15 A16 I17 W76 N79	V15-P27 HydrophobicContact CG1-CB 4.1Å; A16-P27 CarbonylContact O-C 3.57Å; A16-P27 WeakPolarHBondContact O-CA 3.49Å; I17-P27 HydrophobicContact CD1-CB 3.89Å; P27-W76 HydrophobicContact CB-CE3 4.2Å; P27-W76 HydrophobicContact CB-CZ3 3.79Å; P27-W76 HydrophobicContact CG-CZ3 4.04Å; P27-N79 WeakPolarHBondContact CD-O 3.47Å; P27-N79 HydrophobicContact CG-CB 4.11Å; P27-N79 VanDerWaalsContact CG-O 3.3Å; P27-N79 WeakPolarHBondContact CG-O 3.4Å
28	V	95.9	Very high	93.7	Very high	9 Å²	9	59.8 Å²	59.8	6%	0.055	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.2	179.1	173.6	0	0	0	0	109.4	V15 A16 I18 M26 V30 T36 H45	V15-V28 WeakPolarHBondContact CA-O 3.4Å; A16-V28 PolarHBondContact N-O 3.36Å; A16-V28 PolarHBondContact O-N 3.41Å; I18-V28 HydrophobicContact CD1-CG2 4.49Å; I18-V28 HydrophobicContact CG1-CB 4.14Å; I18-V28 HydrophobicContact CG1-CG2 3.56Å; M26-V28 HydrophobicContact CG-CG2 4.12Å; M26-V28 HydrophobicContact SD-CG2 4.09Å; V28-V30 PolarHBondContact O-N 3.07Å; V28-T36 WeakPolarHBondContact CG1-OG1 3.4Å; V28-T36 HydrophobicContact CG2-CG2 3.94Å; V28-H45 VanDerWaalsContact CG1-CE1 3.42Å; V28-H45 WeakPolarHBondContact CG1-CE1 3.27Å
29	K	96.3	Very high	93.4	Very high	81 Å²	81	67.1 Å²	67.1	35%	0.352	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	113.8	167.5	-171.2	172.5	-179.8	-176.9	0	109	Q31 H45 E150	K29-Q31 HydrophobicContact CG-CG 4.28Å; K29-H45 PolarHBondContact O-CE1 2.86Å; K29-E150 IonicContact NZ-OE1 3.13Å; K29-E150 PolarHBondContact NZ-OE1 3.3Å
30	V	97	Very high	93.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.348	C	S	.	.			trans	-74.1	126.4	-179.2	-177.2	0	0	0	0	109	I10 G13 D14 A16 V28 H45 L49 I50	I10-V30 HydrophobicContact CG2-CB 4.43Å; I10-V30 HydrophobicContact CG2-CG1 4.05Å; I10-V30 HydrophobicContact CG2-CG2 3.88Å; G13-V30 WeakPolarHBondContact CA-O 3.41Å; G13-V30 PolarHBondContact N-O 3.02Å; D14-V30 PolarHBondContact O-N 3Å; A16-V30 HydrophobicContact CB-CG2 4.04Å; V28-V30 PolarHBondContact O-N 3.07Å; V30-H45 HydrophobicContact CG1-CB 4.44Å; V30-L49 HydrophobicContact CG1-CB 4.41Å; V30-L49 HydrophobicContact CG2-CD1 4.19Å; V30-I50 HydrophobicContact CG1-CD1 4.04Å; V30-I50 HydrophobicContact CG1-CG1 3.48Å; V30-I50 VanDerWaalsContact CG1-CG1 3.48Å
31	Q	97.5	Very high	93.4	Very high	88 Å²	88	66.8 Å²	66.8	41%	0.411	34%	0.344	S	S	.	.			trans	-145.3	138.3	-175	-66.7	-179.6	3.7	0	0	109.2	K29 G33 A34 H45	K29-Q31 HydrophobicContact CG-CG 4.28Å; Q31-G33 PolarHBondContact O-N 2.89Å; Q31-A34 HydrophobicContact CB-CB 3.86Å; Q31-A34 WeakPolarHBondContact O-CB 3.18Å; Q31-A34 PolarHBondContact O-N 3.37Å; Q31-H45 PolarHBondContact N-ND1 3.29Å; Q31-H45 WeakPolarHBondContact O-CB 3.35Å
32	Q	96.9	Very high	93.9	Very high	141 Å²	141	66.9 Å²	66.9	66%	0.659	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	134.7	177.7	-163.2	178.8	20.2	0	0	110.7	E12 A34 S46	E12-Q32 WeakPolarHBondContact OE1-CB 3.34Å; E12-Q32 PolarHBondContact OE1-N 2.94Å; Q32-A34 PolarHBondContact O-N 2.88Å; Q32-S46 WeakPolarHBondContact CG-OG 3.39Å
33	G	95.7	Very high	94.9	Very high	61 Å²	61	60 Å²	60	63%	0.629	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-14.1	179.6	0	0	0	0	0	114.9	Q31 S46	Q31-G33 PolarHBondContact O-N 2.89Å; G33-S46 PolarHBondContact N-OG 2.9Å
34	A	97.8	Very high	95.6	Very high	26 Å²	26	58.3 Å²	58.3	22%	0.215	29%	0.292	C	S	.	.			trans	-74.2	159.6	179.2	0	0	0	0	0	113	Q31 Q32 H45	Q31-A34 HydrophobicContact CB-CB 3.86Å; Q31-A34 WeakPolarHBondContact O-CB 3.18Å; Q31-A34 PolarHBondContact O-N 3.37Å; Q32-A34 PolarHBondContact O-N 2.88Å; A34-H45 WeakPolarHBondContact CB-ND1 3.48Å; A34-H45 WeakPolarHBondContact O-CB 3.47Å; A34-H45 PolarHBondContact O-N 3.18Å
35	Q	97.4	Very high	95.9	Very high	116 Å²	116	56.8 Å²	56.8	54%	0.542	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140	178.8	-61.2	-175.6	5.3	0	0	110.1	V42 I43 R44	Q35-V42 HydrophobicContact CB-CG1 3.98Å; Q35-V42 HydrophobicContact CG-CG1 4.3Å; Q35-I43 WeakPolarHBondContact CA-O 3.36Å; Q35-R44 HydrophobicContact CG-CG 4.3Å
36	T	96.8	Very high	96.1	Very high	22 Å²	22	57.6 Å²	57.6	14%	0.135	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131	172.6	-66.9	0	0	0	0	110	M26 V28 T38 I43 H45	M26-T36 HydrophobicContact CE-CG2 4.49Å; M26-T36 HydrophobicContact SD-CG2 3.84Å; V28-T36 WeakPolarHBondContact CG1-OG1 3.4Å; V28-T36 HydrophobicContact CG2-CG2 3.94Å; T36-T38 HydrophobicContact CG2-CG2 4.35Å; T36-I43 PolarHBondContact N-O 3.4Å; T36-I43 PolarHBondContact O-N 3.03Å; T36-H45 PolarHBondContact OG1-CE1 2.87Å; T36-H45 PolarHBondContact OG1-NE2 2.79Å
37	Q	95.9	Very high	96.1	Very high	130 Å²	130	62.6 Å²	62.6	61%	0.607	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.6	175.8	-65.6	-68.3	-10	0	0	110.1
38	T	94.8	Very high	96.2	Very high	18 Å²	18	61.7 Å²	61.7	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	167.1	174.3	78.7	0	0	0	0	110.4	L20 M26 T36 Y40 G41 I43	L20-T38 HydrophobicContact CD2-CG2 4.07Å; M26-T38 HydrophobicContact CE-CG2 3.78Å; T36-T38 HydrophobicContact CG2-CG2 4.35Å; T38-Y40 PolarHBondContact O-N 2.89Å; T38-Y40 VanDerWaalsContact O-N 3.13Å; T38-Y40 PolarHBondContact OG1-N 2.71Å; T38-Y40 VanDerWaalsContact OG1-N 3.07Å; T38-G41 PolarHBondContact N-O 2.95Å; T38-G41 PolarHBondContact O-N 3.29Å; T38-G41 VanDerWaalsContact O-N 3.1Å; T38-G41 PolarHBondContact OG1-N 2.67Å; T38-G41 PolarHBondContact OG1-O 3.43Å; T38-I43 HydrophobicContact CG2-CD1 3.69Å; T38-I43 HydrophobicContact CG2-CG1 4.23Å
39	R	92.1	Very high	96.2	Very high	154 Å²	154	61.2 Å²	61.2	58%	0.581	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.5	170.7	68	-177.9	-178.7	-173.1	-0.7	113.5	L20	L20-R39 PolarHBondContact O-NH2 3.05Å
40	Y	92.6	Very high	96.3	Very high	76 Å²	76	59.8 Å²	59.8	30%	0.298	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.1	179.8	-58.5	-61.6	0	0	0	113.8	L20 T38 C60 V66	L20-Y40 HydrophobicContact CB-CE2 4.04Å; L20-Y40 HydrophobicContact CD2-CD2 3.75Å; L20-Y40 HydrophobicContact CD2-CE2 3.99Å; L20-Y40 WeakPolarHBondContact O-CE2 3.44Å; L20-Y40 PolarHBondContact O-OH 2.78Å; L20-Y40 VanDerWaalsContact O-OH 3.11Å; T38-Y40 PolarHBondContact O-N 2.89Å; T38-Y40 VanDerWaalsContact O-N 3.13Å; T38-Y40 PolarHBondContact OG1-N 2.71Å; T38-Y40 VanDerWaalsContact OG1-N 3.07Å; Y40-C60 WeakPolarHBondContact O-CB 3.48Å; Y40-V66 HydrophobicContact CD2-CG1 3.9Å
41	G	94.6	Very high	96.3	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.9	-169.9	-179.2	0	0	0	0	0	113.2	T38	T38-G41 PolarHBondContact N-O 2.95Å; T38-G41 PolarHBondContact O-N 3.29Å; T38-G41 VanDerWaalsContact O-N 3.1Å; T38-G41 PolarHBondContact OG1-N 2.67Å; T38-G41 PolarHBondContact OG1-O 3.43Å
42	V	96.9	Very high	96.2	Very high	20 Å²	20	61.6 Å²	61.6	12%	0.121	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.7	-178.1	-172.5	0	0	0	0	110.2	Q35 R44 S61	Q35-V42 HydrophobicContact CB-CG1 3.98Å; Q35-V42 HydrophobicContact CG-CG1 4.3Å; V42-R44 HydrophobicContact CG1-CG 4.34Å; V42-S61 WeakPolarHBondContact CB-OG 3.35Å; V42-S61 WeakPolarHBondContact CG2-OG 3.22Å; V42-S61 PolarHBondContact N-OG 3.19Å; V42-S61 PolarHBondContact O-N 3.25Å; V42-S61 VanDerWaalsContact O-N 3.11Å
43	I	96.9	Very high	96.3	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.3	167.2	-55.6	170.1	0	0	0	107.9	I18 Q35 T36 T38 D48 L49 V66	I18-I43 HydrophobicContact CD1-CD1 4.39Å; I18-I43 HydrophobicContact CG2-CD1 4.03Å; Q35-I43 WeakPolarHBondContact CA-O 3.36Å; T36-I43 PolarHBondContact N-O 3.4Å; T36-I43 PolarHBondContact O-N 3.03Å; T38-I43 HydrophobicContact CG2-CD1 3.69Å; T38-I43 HydrophobicContact CG2-CG1 4.23Å; I43-D48 HydrophobicContact CG2-CB 4.04Å; I43-L49 HydrophobicContact CG2-CD1 3.97Å; I43-L49 HydrophobicContact CG2-CD2 3.77Å; I43-L49 HydrophobicContact CG2-CG 3.68Å; I43-V66 HydrophobicContact CD1-CG2 3.76Å
44	R	97.1	Very high	96.3	Very high	114 Å²	114	60 Å²	60	43%	0.43	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.1	177.3	-56.7	-179	-177.9	102.8	-6.2	109.2	Q35 V42 S46 K47 D48	Q35-R44 HydrophobicContact CG-CG 4.3Å; V42-R44 HydrophobicContact CG1-CG 4.34Å; R44-S46 VanDerWaalsContact C-N 3.34Å; R44-S46 PolarHBondContact O-N 3Å; R44-K47 PolarHBondContact O-N 3.47Å; R44-K47 VanDerWaalsContact O-N 3.13Å; R44-D48 WeakPolarHBondContact CA-OD2 3.39Å; R44-D48 WeakPolarHBondContact CB-OD2 3.49Å; R44-D48 PolarHBondContact N-OD2 3.17Å; R44-D48 VanDerWaalsContact O-CB 3.31Å; R44-D48 WeakPolarHBondContact O-CB 3.46Å; R44-D48 PolarHBondContact O-N 3.44Å
45	H	97.8	Very high	96.2	Very high	6 Å²	6	60.7 Å²	60.7	3%	0.028	30%	0.298	C	S	.	.	I	π-helix	trans	-58.5	-44.2	-167.8	-66.4	-173.9	0	0	0	112.8	V28 K29 V30 Q31 A34 T36 K47 L49 I50	V28-H45 VanDerWaalsContact CG1-CE1 3.42Å; V28-H45 WeakPolarHBondContact CG1-CE1 3.27Å; K29-H45 PolarHBondContact O-CE1 2.86Å; V30-H45 HydrophobicContact CG1-CB 4.44Å; Q31-H45 PolarHBondContact N-ND1 3.29Å; Q31-H45 WeakPolarHBondContact O-CB 3.35Å; A34-H45 WeakPolarHBondContact CB-ND1 3.48Å; A34-H45 WeakPolarHBondContact O-CB 3.47Å; A34-H45 PolarHBondContact O-N 3.18Å; T36-H45 PolarHBondContact OG1-CE1 2.87Å; T36-H45 PolarHBondContact OG1-NE2 2.79Å; H45-K47 VanDerWaalsContact C-N 3.28Å; H45-K47 PolarHBondContact O-N 3.3Å; H45-L49 HydrophobicContact CB-CD1 4.36Å; H45-L49 WeakPolarHBondContact O-CB 3.07Å; H45-L49 PolarHBondContact O-N 3.09Å; H45-L49 VanDerWaalsContact O-N 3.17Å; H45-I50 PolarHBondContact O-N 3.25Å
46	S	97.4	Very high	96.1	Very high	57 Å²	57	57.6 Å²	57.6	40%	0.399	29%	0.286	S	S	.	.	I	π-helix	trans	-61.3	-32	-179	-55	0	0	0	0	114.8	Q32 G33 R44	Q32-S46 WeakPolarHBondContact CG-OG 3.39Å; G33-S46 PolarHBondContact N-OG 2.9Å; R44-S46 VanDerWaalsContact C-N 3.34Å; R44-S46 PolarHBondContact O-N 3Å
47	K	95.9	Very high	96.1	Very high	150 Å²	150	61.4 Å²	61.4	65%	0.652	30%	0.301	S	S	*	.	I	π-helix	trans	-103.6	-41.6	-173.1	-177.4	-176.3	174.7	-179.2	0	111.8	R44 H45	R44-K47 PolarHBondContact O-N 3.47Å; R44-K47 VanDerWaalsContact O-N 3.13Å; H45-K47 VanDerWaalsContact C-N 3.28Å; H45-K47 PolarHBondContact O-N 3.3Å
48	D	96.6	Very high	96.1	Very high	24 Å²	24	55.7 Å²	55.7	13%	0.128	28%	0.275	C	S	.	.	I	π-helix	trans	-100.2	-15.4	-165.5	-51.9	-33.3	0	0	0	111.9	I43 R44 V58	I43-D48 HydrophobicContact CG2-CB 4.04Å; R44-D48 WeakPolarHBondContact CA-OD2 3.39Å; R44-D48 WeakPolarHBondContact CB-OD2 3.49Å; R44-D48 PolarHBondContact N-OD2 3.17Å; R44-D48 VanDerWaalsContact O-CB 3.31Å; R44-D48 WeakPolarHBondContact O-CB 3.46Å; R44-D48 PolarHBondContact O-N 3.44Å; D48-V58 HydrophobicContact CB-CG1 3.86Å; D48-V58 WeakPolarHBondContact O-CG1 3.34Å
49	L	96.8	Very high	96.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-119.2	-59.7	179.9	-59.8	-178.2	0	0	0	113.1	I10 I18 V30 I43 H45 G51 Q52 V68	I10-L49 WeakPolarHBondContact CB-O 3.43Å; I10-L49 WeakPolarHBondContact CD1-O 3.42Å; I10-L49 HydrophobicContact CG2-CB 4.25Å; I18-L49 HydrophobicContact CD1-CD2 4.44Å; V30-L49 HydrophobicContact CG1-CB 4.41Å; V30-L49 HydrophobicContact CG2-CD1 4.19Å; I43-L49 HydrophobicContact CG2-CD1 3.97Å; I43-L49 HydrophobicContact CG2-CD2 3.77Å; I43-L49 HydrophobicContact CG2-CG 3.68Å; H45-L49 HydrophobicContact CB-CD1 4.36Å; H45-L49 WeakPolarHBondContact O-CB 3.07Å; H45-L49 PolarHBondContact O-N 3.09Å; H45-L49 VanDerWaalsContact O-N 3.17Å; L49-G51 PolarHBondContact O-N 3.3Å; L49-Q52 VanDerWaalsContact O-CB 3.25Å; L49-Q52 WeakPolarHBondContact O-CB 3.49Å; L49-Q52 WeakPolarHBondContact O-CG 3.42Å; L49-Q52 PolarHBondContact O-N 3.42Å; L49-V68 HydrophobicContact CD2-CG1 4.29Å; L49-V68 HydrophobicContact CD2-CG2 3.65Å
50	I	97.8	Very high	96.2	Very high	51 Å²	51	52 Å²	52	26%	0.262	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	129.1	-172.6	-64.4	175.2	0	0	0	110.3	E12 V30 H45 Q52	E12-I50 HydrophobicContact CB-CD1 4.26Å; V30-I50 HydrophobicContact CG1-CD1 4.04Å; V30-I50 HydrophobicContact CG1-CG1 3.48Å; V30-I50 VanDerWaalsContact CG1-CG1 3.48Å; H45-I50 PolarHBondContact O-N 3.25Å; I50-Q52 VanDerWaalsContact C-N 3.25Å; I50-Q52 PolarHBondContact O-N 3.38Å
51	G	96.6	Very high	96	Very high	48 Å²	48	51.4 Å²	51.4	50%	0.495	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-6.3	-177.2	0	0	0	0	0	114.9	F9 I10 L49	F9-G51 WeakPolarHBondContact CD1-O 3.36Å; I10-G51 PolarHBondContact O-N 2.87Å; L49-G51 PolarHBondContact O-N 3.3Å
52	Q	96.9	Very high	95.5	Very high	77 Å²	77	59.7 Å²	59.7	36%	0.36	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-78.9	153.6	172.7	-58.4	-62.6	-20.8	0	0	110.8	F9 I10 L49 I50	F9-Q52 CarbonylContact C-O 3.6Å; F9-Q52 WeakPolarHBondContact CA-O 3.36Å; I10-Q52 HydrophobicContact CD1-CB 4.09Å; I10-Q52 PolarHBondContact N-O 3.39Å; L49-Q52 VanDerWaalsContact O-CB 3.25Å; L49-Q52 WeakPolarHBondContact O-CB 3.49Å; L49-Q52 WeakPolarHBondContact O-CG 3.42Å; L49-Q52 PolarHBondContact O-N 3.42Å; I50-Q52 VanDerWaalsContact C-N 3.25Å; I50-Q52 PolarHBondContact O-N 3.38Å
53	R	97.3	Very high	95	Very high	136 Å²	136	61.5 Å²	61.5	51%	0.513	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-77.4	141.6	176	-63	174.4	80.9	-147.9	5	110.7	E8 F9 T56	E8-R53 HydrophobicContact CG-CG 4.27Å; E8-R53 VanDerWaalsContact O-CA 3.25Å; E8-R53 WeakPolarHBondContact O-CA 3.38Å; E8-R53 IonicContact OE1-CZ 3.53Å; E8-R53 IonicContact OE1-NE 2.73Å; E8-R53 PolarHBondContact OE1-NE 2.97Å; E8-R53 IonicContact OE1-NH2 3.53Å; E8-R53 PolarHBondContact OE1-NH2 2.7Å; F9-R53 HydrophobicContact CD1-CG 3.62Å; F9-R53 HydrophobicContact CE1-CG 3.32Å; F9-R53 HydrophobicContact CZ-CG 4.07Å; R53-T56 WeakPolarHBondContact O-CB 3.37Å; R53-T56 PolarHBondContact O-N 3.32Å; R53-T56 PolarHBondContact O-OG1 3.1Å
54	F	97.4	Very high	94.8	Very high	32 Å²	32	62.3 Å²	62.3	14%	0.14	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	147.1	167.7	-75.7	-74.6	0	0	0	111.3	M1 S7 E8 I10 A16 T56 V68 L69 H70	M1-F54 HydrophobicContact CE-CD2 4.12Å; M1-F54 HydrophobicContact CE-CE1 3.66Å; M1-F54 HydrophobicContact CE-CE2 3.11Å; M1-F54 HydrophobicContact CE-CZ 2.84Å; S7-F54 WeakPolarHBondContact O-CD2 3.46Å; E8-F54 PolarHBondContact O-N 2.81Å; I10-F54 HydrophobicContact CB-CE2 4.14Å; I10-F54 HydrophobicContact CB-CZ 3.92Å; I10-F54 HydrophobicContact CD1-CD1 4.41Å; I10-F54 HydrophobicContact CD1-CE1 4.21Å; I10-F54 HydrophobicContact CD1-CZ 4.37Å; I10-F54 HydrophobicContact CG1-CD1 3.88Å; I10-F54 HydrophobicContact CG1-CD2 4.01Å; I10-F54 HydrophobicContact CG1-CE1 3.41Å; I10-F54 VanDerWaalsContact CG1-CE1 3.41Å; I10-F54 HydrophobicContact CG1-CE2 3.52Å; I10-F54 HydrophobicContact CG1-CG 4.15Å; I10-F54 HydrophobicContact CG1-CZ 3.15Å; I10-F54 HydrophobicContact CG2-CZ 4.33Å; A16-F54 HydrophobicContact CB-CE1 4.07Å; F54-T56 PolarHBondContact O-N 2.76Å; F54-V68 HydrophobicContact CD1-CG1 4.31Å; F54-V68 HydrophobicContact CE1-CG1 4.22Å; F54-L69 VanDerWaalsContact CD1-C 3.46Å; F54-H70 HydrophobicContact CB-CB 4.19Å; F54-H70 HydrophobicContact CD1-CB 4.04Å; F54-H70 VanDerWaalsContact CD1-N 3.33Å; F54-H70 AromaticContact CD2-CD2 3.83Å; F54-H70 HydrophobicContact CG-CB 3.97Å
55	G	95.8	Very high	94.7	Very high	42 Å²	42	62.4 Å²	62.4	43%	0.433	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-2.6	-173.2	0	0	0	0	0	114.5	Y67 V68	G55-Y67 WeakPolarHBondContact O-CD1 3.26Å; G55-V68 WeakPolarHBondContact CA-O 3.28Å; G55-V68 PolarHBondContact N-O 2.97Å
56	T	94.5	Very high	94.6	Very high	50 Å²	50	62.2 Å²	62.2	31%	0.307	34%	0.343	S	S	.	.			trans	-72.5	144.8	178.3	-56.3	0	0	0	0	111.4	R53 F54 V68	R53-T56 WeakPolarHBondContact O-CB 3.37Å; R53-T56 PolarHBondContact O-N 3.32Å; R53-T56 PolarHBondContact O-OG1 3.1Å; F54-T56 PolarHBondContact O-N 2.76Å; T56-V68 PolarHBondContact O-N 2.9Å
57	K	96.5	Very high	94.6	Very high	102 Å²	102	63.8 Å²	63.8	44%	0.443	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.3	169	-178.9	-179.5	178.9	166.2	0	109.8	W65 V66 Y67	K57-W65 HydrophobicContact CD-CB 4.48Å; K57-W65 HydrophobicContact CD-CD2 4.18Å; K57-W65 HydrophobicContact CD-CE3 4.26Å; K57-W65 HydrophobicContact CD-CG 4.28Å; K57-W65 HydrophobicContact CG-CB 4.04Å; K57-W65 HydrophobicContact CG-CD2 4.23Å; K57-W65 HydrophobicContact CG-CE3 4.02Å; K57-W65 HydrophobicContact CG-CG 4.26Å; K57-V66 CarbonylContact C-O 3.51Å; K57-V66 WeakPolarHBondContact CA-O 3.45Å; K57-Y67 HydrophobicContact CB-CD1 4.36Å; K57-Y67 HydrophobicContact CB-CE1 3.93Å
58	V	95.4	Very high	94.7	Very high	11 Å²	11	56.7 Å²	56.7	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.8	-179.4	177.2	0	0	0	0	110	D48 W65 V66 V68	D48-V58 HydrophobicContact CB-CG1 3.86Å; D48-V58 WeakPolarHBondContact O-CG1 3.34Å; V58-W65 CarbonylContact O-C 3.58Å; V58-W65 VanDerWaalsContact O-CA 3.23Å; V58-W65 WeakPolarHBondContact O-CA 3.44Å; V58-V66 HydrophobicContact CB-CG2 4.1Å; V58-V66 PolarHBondContact N-O 3.49Å; V58-V66 PolarHBondContact O-N 3.36Å; V58-V68 HydrophobicContact CB-CG2 4.27Å; V58-V68 HydrophobicContact CG2-CG2 3.63Å
59	T	94.9	Very high	94.7	Very high	89 Å²	89	57.9 Å²	57.9	55%	0.546	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.6	176.7	-55.8	0	0	0	0	110.3
60	C	93.9	Very high	94.7	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.041	32%	0.321	C	S	.	.			trans	-87.6	166.4	177.6	-61.8	0	0	0	0	111.6	Y40 K62 G63 G64	Y40-C60 WeakPolarHBondContact O-CB 3.48Å; C60-K62 PolarHBondContact O-N 3.23Å; C60-G63 PolarHBondContact O-N 2.96Å; C60-G64 PolarHBondContact N-O 2.82Å
61	S	89.1	Confident	94.6	Very high	62 Å²	62	56.6 Å²	56.6	43%	0.434	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.3	-174.7	64.4	0	0	0	0	116.7	V42	V42-S61 WeakPolarHBondContact CB-OG 3.35Å; V42-S61 WeakPolarHBondContact CG2-OG 3.22Å; V42-S61 PolarHBondContact N-OG 3.19Å; V42-S61 PolarHBondContact O-N 3.25Å; V42-S61 VanDerWaalsContact O-N 3.11Å
62	K	84.9	Confident	94.7	Very high	176 Å²	176	55.4 Å²	55.4	77%	0.765	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	10.6	-179.7	-65.3	-179	177.1	178.5	0	113.5	C60 G64	C60-K62 PolarHBondContact O-N 3.23Å; K62-G64 VanDerWaalsContact C-N 3.25Å; K62-G64 PolarHBondContact O-N 2.83Å
63	G	86.2	Confident	94.8	Very high	58 Å²	58	51.9 Å²	51.9	60%	0.598	28%	0.277	S	S	*	.	S	Bend	trans	82.7	-8.4	-177	0	0	0	0	0	114.9	C60	C60-G63 PolarHBondContact O-N 2.96Å
64	G	92.4	Very high	94.8	Very high	18 Å²	18	48.1 Å²	48.1	19%	0.186	27%	0.265	C	S	.	.			trans	-70.5	173.1	166.9	0	0	0	0	0	112	C60 K62	C60-G64 PolarHBondContact N-O 2.82Å; K62-G64 VanDerWaalsContact C-N 3.25Å; K62-G64 PolarHBondContact O-N 2.83Å
65	W	94.8	Very high	94.7	Very high	116 Å²	116	48.2 Å²	48.2	44%	0.439	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.5	-174.8	56.1	-96.9	0	0	0	112.4	K57 V58 Y67	K57-W65 HydrophobicContact CD-CB 4.48Å; K57-W65 HydrophobicContact CD-CD2 4.18Å; K57-W65 HydrophobicContact CD-CE3 4.26Å; K57-W65 HydrophobicContact CD-CG 4.28Å; K57-W65 HydrophobicContact CG-CB 4.04Å; K57-W65 HydrophobicContact CG-CD2 4.23Å; K57-W65 HydrophobicContact CG-CE3 4.02Å; K57-W65 HydrophobicContact CG-CG 4.26Å; V58-W65 CarbonylContact O-C 3.58Å; V58-W65 VanDerWaalsContact O-CA 3.23Å; V58-W65 WeakPolarHBondContact O-CA 3.44Å; W65-Y67 HydrophobicContact CE3-CD2 4.32Å; W65-Y67 HydrophobicContact CE3-CE2 4.18Å; W65-Y67 AromaticContact CH2-CE2 3.99Å; W65-Y67 HydrophobicContact CH2-CE2 3.99Å; W65-Y67 AromaticContact CZ3-CD2 3.65Å; W65-Y67 HydrophobicContact CZ3-CD2 3.65Å; W65-Y67 AromaticContact CZ3-CE2 3.33Å; W65-Y67 HydrophobicContact CZ3-CE2 3.33Å
66	V	96.4	Very high	94.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	162.2	177.3	-59.2	0	0	0	0	110.6	I18 L20 Y40 I43 K57 V58 V68	I18-V66 HydrophobicContact CG2-CB 3.94Å; I18-V66 HydrophobicContact CG2-CG1 4.06Å; I18-V66 HydrophobicContact CG2-CG2 3.95Å; L20-V66 HydrophobicContact CD2-CG1 3.6Å; Y40-V66 HydrophobicContact CD2-CG1 3.9Å; I43-V66 HydrophobicContact CD1-CG2 3.76Å; K57-V66 CarbonylContact C-O 3.51Å; K57-V66 WeakPolarHBondContact CA-O 3.45Å; V58-V66 HydrophobicContact CB-CG2 4.1Å; V58-V66 PolarHBondContact N-O 3.49Å; V58-V66 PolarHBondContact O-N 3.36Å; V66-V68 HydrophobicContact CG2-CG2 4.49Å
67	Y	97.1	Very high	95	Very high	91 Å²	91	44.4 Å²	44.4	36%	0.357	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.9	162.9	-75.9	-77.7	0	0	0	109.8	F19 G55 K57 W65	F19-Y67 HydrophobicContact CD1-CD2 4.43Å; F19-Y67 PolarHBondContact N-O 2.84Å; F19-Y67 PolarHBondContact O-N 2.99Å; G55-Y67 WeakPolarHBondContact O-CD1 3.26Å; K57-Y67 HydrophobicContact CB-CD1 4.36Å; K57-Y67 HydrophobicContact CB-CE1 3.93Å; W65-Y67 HydrophobicContact CE3-CD2 4.32Å; W65-Y67 HydrophobicContact CE3-CE2 4.18Å; W65-Y67 AromaticContact CH2-CE2 3.99Å; W65-Y67 HydrophobicContact CH2-CE2 3.99Å; W65-Y67 AromaticContact CZ3-CD2 3.65Å; W65-Y67 HydrophobicContact CZ3-CD2 3.65Å; W65-Y67 AromaticContact CZ3-CE2 3.33Å; W65-Y67 HydrophobicContact CZ3-CE2 3.33Å
68	V	96.7	Very high	94.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.7	176.2	-173.8	0	0	0	0	108.4	I10 A16 I18 L49 F54 G55 T56 V58 V66	I10-V68 HydrophobicContact CD1-CB 4.26Å; I10-V68 HydrophobicContact CD1-CG1 3.69Å; I10-V68 HydrophobicContact CG1-CG1 4.44Å; A16-V68 HydrophobicContact CB-CG1 3.77Å; I18-V68 HydrophobicContact CD1-CG1 4.12Å; I18-V68 HydrophobicContact CD1-CG2 3.95Å; L49-V68 HydrophobicContact CD2-CG1 4.29Å; L49-V68 HydrophobicContact CD2-CG2 3.65Å; F54-V68 HydrophobicContact CD1-CG1 4.31Å; F54-V68 HydrophobicContact CE1-CG1 4.22Å; G55-V68 WeakPolarHBondContact CA-O 3.28Å; G55-V68 PolarHBondContact N-O 2.97Å; T56-V68 PolarHBondContact O-N 2.9Å; V58-V68 HydrophobicContact CB-CG2 4.27Å; V58-V68 HydrophobicContact CG2-CG2 3.63Å; V66-V68 HydrophobicContact CG2-CG2 4.49Å
69	L	96.8	Very high	94.9	Very high	49 Å²	49	44.6 Å²	44.6	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.6	-174.8	-52.7	179.8	0	0	0	110.9	I17 F19 F54 L75	I17-L69 HydrophobicContact CB-CB 4.23Å; I17-L69 PolarHBondContact N-O 2.81Å; I17-L69 VanDerWaalsContact N-O 3.08Å; I17-L69 PolarHBondContact O-N 2.84Å; F19-L69 HydrophobicContact CB-CD1 3.93Å; F19-L69 HydrophobicContact CB-CG 4.14Å; F19-L69 HydrophobicContact CD2-CD1 4.18Å; F19-L69 HydrophobicContact CG-CD1 4.32Å; F54-L69 VanDerWaalsContact CD1-C 3.46Å; L69-L75 HydrophobicContact CB-CD1 4.12Å; L69-L75 HydrophobicContact CD1-CD1 4.23Å
70	H	97.3	Very high	94.9	Very high	21 Å²	21	40.6 Å²	40.6	10%	0.097	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-65.4	134.7	169.9	-168.2	-73.7	0	0	0	108.5	M1 Y6 S7 F54 L75	M1-H70 WeakPolarHBondContact CG-NE2 3.36Å; M1-H70 VanDerWaalsContact SD-CE1 3.54Å; M1-H70 PolarHBondContact SD-NE2 2.91Å; Y6-H70 WeakPolarHBondContact CA-NE2 3.22Å; Y6-H70 HydrophobicContact CD1-CB 4.29Å; Y6-H70 AromaticContact CD1-CD2 3.83Å; Y6-H70 AromaticContact CD1-CE1 3.74Å; Y6-H70 AromaticContact CD1-CG 3.66Å; Y6-H70 AromaticContact CD1-ND1 3.6Å; Y6-H70 AromaticContact CD1-NE2 3.87Å; Y6-H70 HydrophobicContact CE1-CB 4.31Å; Y6-H70 AromaticContact CE1-CG 4Å; Y6-H70 AromaticContact CE1-ND1 3.79Å; S7-H70 PolarHBondContact N-NE2 3.21Å; S7-H70 PolarHBondContact O-CD2 3.42Å; F54-H70 HydrophobicContact CB-CB 4.19Å; F54-H70 HydrophobicContact CD1-CB 4.04Å; F54-H70 VanDerWaalsContact CD1-N 3.33Å; F54-H70 AromaticContact CD2-CD2 3.83Å; F54-H70 HydrophobicContact CG-CB 3.97Å; H70-L75 WeakPolarHBondContact O-CD1 3.23Å
71	P	96.5	Very high	94.9	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.019	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.8	143.4	178.1	31.4	-39	0	0	0	110.9	M1 F3 V15 I17	M1-P71 HydrophobicContact CE-CG 4.08Å; M1-P71 WeakPolarHBondContact SD-CD 3.39Å; M1-P71 HydrophobicContact SD-CG 3.12Å; M1-P71 WeakPolarHBondContact SD-CG 3.22Å; F3-P71 HydrophobicContact CE1-CB 3.95Å; F3-P71 HydrophobicContact CE2-CB 4.01Å; F3-P71 HydrophobicContact CE2-CG 4.33Å; F3-P71 HydrophobicContact CZ-CB 3.68Å; F3-P71 HydrophobicContact CZ-CG 4.48Å; V15-P71 VanDerWaalsContact O-CD 3.3Å; V15-P71 WeakPolarHBondContact O-CD 3.18Å; V15-P71 WeakPolarHBondContact O-CG 3.3Å; I17-P71 HydrophobicContact CG1-CB 4.29Å
72	T	97.9	Very high	95.1	Very high	22 Å²	22	45.3 Å²	45.3	14%	0.135	23%	0.234	C	C	.	.			trans	-136.2	160.6	167.8	77.8	0	0	0	0	108.2	E74 L75 W76	T72-E74 WeakPolarHBondContact CB-OE2 3.26Å; T72-E74 PolarHBondContact O-N 3.43Å; T72-E74 PolarHBondContact OG1-N 3.04Å; T72-E74 PolarHBondContact OG1-OE2 3.07Å; T72-L75 HydrophobicContact CG2-CD1 4.47Å; T72-L75 PolarHBondContact O-N 3.29Å; T72-L75 PolarHBondContact OG1-N 3.32Å; T72-W76 WeakPolarHBondContact O-CB 3.46Å; T72-W76 PolarHBondContact O-N 2.92Å
73	P	98.3	Very high	95.5	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-55.1	-33.9	175.1	-26.8	35.8	0	0	0	113.7	F3 T77 H119 A120 R123	F3-P73 HydrophobicContact CD1-CG 4.41Å; P73-T77 VanDerWaalsContact O-CB 3.3Å; P73-T77 WeakPolarHBondContact O-CB 3.25Å; P73-T77 PolarHBondContact O-N 3.43Å; P73-T77 PolarHBondContact O-OG1 3.14Å; P73-H119 HydrophobicContact CB-CB 4.18Å; P73-H119 HydrophobicContact CG-CB 4.49Å; P73-H119 WeakPolarHBondContact CG-O 3.4Å; P73-A120 HydrophobicContact CB-CB 4.14Å; P73-R123 HydrophobicContact CG-CB 3.64Å; P73-R123 HydrophobicContact CG-CG 4Å
74	E	97.5	Very high	95.9	Very high	57 Å²	57	39.5 Å²	39.5	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-67.9	-49	177.6	-57.5	76.1	-165.2	0	0	111.2	T72 W76 T77 L78 T89 R123	T72-E74 WeakPolarHBondContact CB-OE2 3.26Å; T72-E74 PolarHBondContact O-N 3.43Å; T72-E74 PolarHBondContact OG1-N 3.04Å; T72-E74 PolarHBondContact OG1-OE2 3.07Å; E74-W76 VanDerWaalsContact C-N 3.31Å; E74-W76 PolarHBondContact O-N 2.89Å; E74-T77 PolarHBondContact O-N 2.89Å; E74-L78 PolarHBondContact O-N 3.28Å; E74-T89 HydrophobicContact CG-CG2 3.79Å; E74-R123 IonicContact OE1-CZ 2.68Å; E74-R123 IonicContact OE1-NH1 2.83Å; E74-R123 PolarHBondContact OE1-NH1 2.97Å; E74-R123 IonicContact OE1-NH2 3.01Å; E74-R123 PolarHBondContact OE1-NH2 3.01Å; E74-R123 IonicContact OE2-NH1 3.67Å
75	L	96.9	Very high	95.9	Very high	35 Å²	35	45.4 Å²	45.4	18%	0.183	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-39.1	176.4	-67.6	177.5	0	0	0	111.1	I17 M25 L69 H70 T72 L78 N79	I17-L75 HydrophobicContact CB-CD1 4.45Å; I17-L75 HydrophobicContact CG1-CB 4.02Å; I17-L75 HydrophobicContact CG1-CD1 4.28Å; I17-L75 HydrophobicContact CG2-CB 4.5Å; M25-L75 HydrophobicContact SD-CD2 3.93Å; L69-L75 HydrophobicContact CB-CD1 4.12Å; L69-L75 HydrophobicContact CD1-CD1 4.23Å; H70-L75 WeakPolarHBondContact O-CD1 3.23Å; T72-L75 HydrophobicContact CG2-CD1 4.47Å; T72-L75 PolarHBondContact O-N 3.29Å; T72-L75 PolarHBondContact OG1-N 3.32Å; L75-L78 PolarHBondContact O-N 2.83Å; L75-N79 WeakPolarHBondContact O-CB 3.12Å; L75-N79 PolarHBondContact O-N 2.88Å; L75-N79 PolarHBondContact O-ND2 3.45Å
76	W	97.4	Very high	96	Very high	11 Å²	11	40.4 Å²	40.4	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-41.8	175.6	176.8	-107.5	0	0	0	112.3	F3 V15 P27 T72 E74 L78 N79 L80 H119 H151	F3-W76 HydrophobicContact CE1-CB 3.54Å; F3-W76 AromaticContact CE1-CG 3.97Å; F3-W76 HydrophobicContact CE1-CG 3.97Å; F3-W76 HydrophobicContact CZ-CB 3.94Å; F3-W76 HydrophobicContact CZ-CD2 4.16Å; F3-W76 HydrophobicContact CZ-CE3 4.23Å; F3-W76 HydrophobicContact CZ-CG 4.05Å; V15-W76 HydrophobicContact CG1-CZ3 4.3Å; P27-W76 HydrophobicContact CB-CE3 4.2Å; P27-W76 HydrophobicContact CB-CZ3 3.79Å; P27-W76 HydrophobicContact CG-CZ3 4.04Å; T72-W76 WeakPolarHBondContact O-CB 3.46Å; T72-W76 PolarHBondContact O-N 2.92Å; E74-W76 VanDerWaalsContact C-N 3.31Å; E74-W76 PolarHBondContact O-N 2.89Å; W76-L78 PolarHBondContact O-N 2.86Å; W76-N79 CarbonylContact O-C 3.56Å; W76-N79 PolarHBondContact O-N 3.45Å; W76-L80 HydrophobicContact CD2-CB 3.87Å; W76-L80 VanDerWaalsContact CE2-CB 3.41Å; W76-L80 HydrophobicContact CE3-CB 4.45Å; W76-L80 HydrophobicContact CG-CB 4.29Å; W76-L80 HydrophobicContact CH2-CB 4.23Å; W76-L80 HydrophobicContact CZ2-CB 3.6Å; W76-L80 VanDerWaalsContact O-CB 3.28Å; W76-L80 WeakPolarHBondContact O-CB 3.16Å; W76-L80 PolarHBondContact O-N 2.93Å; W76-H119 AromaticContact CD1-CG 3.84Å; W76-H119 AromaticContact CD1-ND1 3.74Å; W76-H119 AromaticContact NE1-CE1 3.63Å; W76-H119 AromaticContact NE1-ND1 3.58Å; W76-H151 AromaticContact CE2-CE1 3.83Å; W76-H151 AromaticContact CH2-CE1 3.6Å; W76-H151 AromaticContact CH2-NE2 3.93Å; W76-H151 AromaticContact CZ2-CE1 3.55Å; W76-H151 AromaticContact CZ3-CE1 3.97Å
77	T	97.4	Very high	96	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-56.1	-36.8	176.4	-67.6	0	0	0	0	112.5	P73 E74 N79 I86 Y88 S116	P73-T77 VanDerWaalsContact O-CB 3.3Å; P73-T77 WeakPolarHBondContact O-CB 3.25Å; P73-T77 PolarHBondContact O-N 3.43Å; P73-T77 PolarHBondContact O-OG1 3.14Å; E74-T77 PolarHBondContact O-N 2.89Å; T77-N79 VanDerWaalsContact C-N 3.29Å; T77-N79 PolarHBondContact O-N 2.97Å; T77-I86 HydrophobicContact CG2-CD1 4.07Å; T77-I86 WeakPolarHBondContact O-CD1 3.29Å; T77-Y88 HydrophobicContact CG2-CD1 4.07Å; T77-S116 VanDerWaalsContact CG2-OG 3.28Å; T77-S116 WeakPolarHBondContact CG2-OG 3.39Å; T77-S116 PolarHBondContact OG1-OG 3.13Å
78	L	94.9	Very high	96	Very high	94 Å²	94	40.5 Å²	40.5	49%	0.492	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.6	177.5	-63.2	176.2	0	0	0	114.2	M25 E74 L75 W76 Y88	M25-L78 HydrophobicContact CE-CD1 4.02Å; E74-L78 PolarHBondContact O-N 3.28Å; L75-L78 PolarHBondContact O-N 2.83Å; W76-L78 PolarHBondContact O-N 2.86Å; L78-Y88 HydrophobicContact CD2-CD1 4.45Å
79	N	95.5	Very high	95.9	Very high	23 Å²	23	43 Å²	43	12%	0.123	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-11.1	-163.3	-77.4	-75.4	0	0	0	114.4	M25 M26 P27 L75 W76 T77	M25-N79 WeakPolarHBondContact CB-ND2 3.32Å; M25-N79 WeakPolarHBondContact CB-OD1 3.41Å; M25-N79 PolarHBondContact O-OD1 3.01Å; M26-N79 PolarHBondContact N-OD1 2.9Å; P27-N79 WeakPolarHBondContact CD-O 3.47Å; P27-N79 HydrophobicContact CG-CB 4.11Å; P27-N79 VanDerWaalsContact CG-O 3.3Å; P27-N79 WeakPolarHBondContact CG-O 3.4Å; L75-N79 WeakPolarHBondContact O-CB 3.12Å; L75-N79 PolarHBondContact O-N 2.88Å; L75-N79 PolarHBondContact O-ND2 3.45Å; W76-N79 CarbonylContact O-C 3.56Å; W76-N79 PolarHBondContact O-N 3.45Å; T77-N79 VanDerWaalsContact C-N 3.29Å; T77-N79 PolarHBondContact O-N 2.97Å
80	L	95.1	Very high	95.9	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	21%	0.213	C	C	.	.	S	Bend	trans	-64.7	151.9	-176	65.5	82.7	0	0	0	111.7	W76 H82 I86	W76-L80 HydrophobicContact CD2-CB 3.87Å; W76-L80 VanDerWaalsContact CE2-CB 3.41Å; W76-L80 HydrophobicContact CE3-CB 4.45Å; W76-L80 HydrophobicContact CG-CB 4.29Å; W76-L80 HydrophobicContact CH2-CB 4.23Å; W76-L80 HydrophobicContact CZ2-CB 3.6Å; W76-L80 VanDerWaalsContact O-CB 3.28Å; W76-L80 WeakPolarHBondContact O-CB 3.16Å; W76-L80 PolarHBondContact O-N 2.93Å; L80-H82 PolarHBondContact O-CD2 3.34Å; L80-H82 PolarHBondContact O-N 2.87Å; L80-H82 VanDerWaalsContact O-N 3.11Å; L80-I86 HydrophobicContact CD1-CD1 4.39Å; L80-I86 HydrophobicContact CD1-CG2 4.32Å; L80-I86 HydrophobicContact CD2-CD1 4.24Å; L80-I86 HydrophobicContact CG-CD1 4.42Å
81	P	93.5	Very high	96	Very high	67 Å²	67	41.5 Å²	41.5	44%	0.435	21%	0.209	S	C	.	.			trans	-70.5	107.3	173.1	27.7	-32.2	0	0	0	110.2	R83	P81-R83 PolarHBondContact O-N 2.88Å; P81-R83 PolarHBondContact O-NH1 3.25Å
82	H	92.8	Very high	96.1	Very high	100 Å²	100	41.8 Å²	41.8	46%	0.463	21%	0.21	S	C	.	.			trans	-62.5	123.5	179.6	-73.8	-98.9	0	0	0	111.7	L80 I86	L80-H82 PolarHBondContact O-CD2 3.34Å; L80-H82 PolarHBondContact O-N 2.87Å; L80-H82 VanDerWaalsContact O-N 3.11Å; H82-I86 WeakPolarHBondContact CE1-CD1 3.38Å
83	R	93.8	Very high	96.1	Very high	67 Å²	67	43.4 Å²	43.4	25%	0.253	23%	0.226	S	C	.	.	S	Bend	trans	-111.9	-18.2	169.2	-63.7	176.9	-69.9	-89.6	14	112.1	P81 S114 E147	P81-R83 PolarHBondContact O-N 2.88Å; P81-R83 PolarHBondContact O-NH1 3.25Å; R83-S114 PolarHBondContact N-OG 2.87Å; R83-E147 IonicContact CZ-OE1 3.33Å; R83-E147 IonicContact CZ-OE2 2.94Å; R83-E147 IonicContact NH1-OE1 3.47Å; R83-E147 PolarHBondContact NH1-OE1 2.9Å; R83-E147 IonicContact NH1-OE2 2.76Å; R83-E147 IonicContact NH2-OE1 3.49Å; R83-E147 PolarHBondContact NH2-OE1 3.42Å; R83-E147 IonicContact NH2-OE2 3.77Å; R83-E147 PolarHBondContact NH2-OE2 2.91Å
84	T	94	Very high	96.1	Very high	44 Å²	44	45.1 Å²	45.1	27%	0.27	24%	0.235	S	C	.	.	S	Bend	trans	-144.3	169.7	-178.5	60.7	0	0	0	0	108.5	S114	T84-S114 PolarHBondContact N-OG 2.89Å; T84-S114 PolarHBondContact OG1-N 3.42Å; T84-S114 PolarHBondContact OG1-OG 2.94Å
85	Q	93.4	Very high	96.2	Very high	142 Å²	142	42.4 Å²	42.4	66%	0.664	22%	0.222	S	C	*	.			trans	-58.3	145.7	155	-173.7	58.6	23.3	0	0	108.8
86	I	96.4	Very high	96.3	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.056	22%	0.22	C	C	.	.			trans	-124.9	159.8	-179.9	66.6	174.8	0	0	0	110.5	T77 L80 H82 Y88	T77-I86 HydrophobicContact CG2-CD1 4.07Å; T77-I86 WeakPolarHBondContact O-CD1 3.29Å; L80-I86 HydrophobicContact CD1-CD1 4.39Å; L80-I86 HydrophobicContact CD1-CG2 4.32Å; L80-I86 HydrophobicContact CD2-CD1 4.24Å; L80-I86 HydrophobicContact CG-CD1 4.42Å; H82-I86 WeakPolarHBondContact CE1-CD1 3.38Å; I86-Y88 HydrophobicContact CD1-CE1 4.21Å; I86-Y88 HydrophobicContact CG1-CD2 4.42Å; I86-Y88 HydrophobicContact CG1-CE1 4.48Å; I86-Y88 HydrophobicContact CG1-CE2 3.98Å
87	L	96.9	Very high	96.3	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	25%	0.248	C	C	.	.			trans	-77.6	143.3	162.4	-64.6	176	0	0	0	110.3	D91 I92 I95 S116 L117 F179 F206	L87-D91 HydrophobicContact CD2-CB 4.17Å; L87-I92 HydrophobicContact CB-CD1 4.16Å; L87-I92 HydrophobicContact CB-CG1 3.8Å; L87-I92 WeakPolarHBondContact O-CD1 3.31Å; L87-I95 HydrophobicContact CD1-CD1 3.42Å; L87-I95 VanDerWaalsContact CD1-CD1 3.42Å; L87-S116 PolarHBondContact O-OG 2.82Å; L87-L117 HydrophobicContact CD1-CB 4.42Å; L87-L117 HydrophobicContact CD1-CD2 4.12Å; L87-F179 HydrophobicContact CD1-CE1 4.05Å; L87-F179 HydrophobicContact CD1-CE2 4.22Å; L87-F179 HydrophobicContact CD1-CZ 3.48Å; L87-F179 VanDerWaalsContact CD1-CZ 3.48Å; L87-F206 HydrophobicContact CD2-CD1 4.18Å; L87-F206 HydrophobicContact CD2-CD2 3.59Å; L87-F206 HydrophobicContact CD2-CE1 4.17Å; L87-F206 HydrophobicContact CD2-CE2 3.56Å; L87-F206 HydrophobicContact CD2-CG 3.89Å; L87-F206 HydrophobicContact CD2-CZ 3.86Å
88	Y	96.3	Very high	96.4	Very high	87 Å²	87	49.9 Å²	49.9	34%	0.341	26%	0.261	S	S	.	.			trans	-102.1	169.5	174	-73.3	-87.9	0	0	0	111	T77 L78 I86 T90 D91 I92	T77-Y88 HydrophobicContact CG2-CD1 4.07Å; L78-Y88 HydrophobicContact CD2-CD1 4.45Å; I86-Y88 HydrophobicContact CD1-CE1 4.21Å; I86-Y88 HydrophobicContact CG1-CD2 4.42Å; I86-Y88 HydrophobicContact CG1-CE1 4.48Å; I86-Y88 HydrophobicContact CG1-CE2 3.98Å; Y88-T90 PolarHBondContact O-N 3.36Å; Y88-D91 PolarHBondContact O-N 3.08Å; Y88-D91 VanDerWaalsContact O-N 3.13Å; Y88-I92 WeakPolarHBondContact O-CG1 3.46Å; Y88-I92 PolarHBondContact O-N 2.93Å
89	T	96.4	Very high	96.6	Very high	54 Å²	54	45.6 Å²	45.6	33%	0.331	24%	0.238	S	C	.	.	H	α-helix	trans	-53.1	-33.4	-170.7	-49.2	0	0	0	0	114.2	E74 A93	E74-T89 HydrophobicContact CG-CG2 3.79Å; T89-A93 WeakPolarHBondContact O-CB 3.28Å; T89-A93 PolarHBondContact O-N 3.3Å
90	T	96.6	Very high	96.7	Very high	34 Å²	34	50 Å²	50	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-48.6	179.3	-58.1	0	0	0	0	112.7	Y88 N94 V233 L235	Y88-T90 PolarHBondContact O-N 3.36Å; T90-N94 PolarHBondContact O-N 3.48Å; T90-N94 PolarHBondContact O-ND2 3.45Å; T90-V233 HydrophobicContact CG2-CB 4.12Å; T90-V233 HydrophobicContact CG2-CG1 3.48Å; T90-V233 VanDerWaalsContact CG2-CG1 3.48Å; T90-L235 HydrophobicContact CG2-CB 4.18Å
91	D	98.1	Very high	96.9	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-68.5	-44.6	176.1	-69	-35.4	0	0	0	110	L87 Y88 A93 N94 I95 T285 L288	L87-D91 HydrophobicContact CD2-CB 4.17Å; Y88-D91 PolarHBondContact O-N 3.08Å; Y88-D91 VanDerWaalsContact O-N 3.13Å; D91-A93 VanDerWaalsContact C-N 3.3Å; D91-A93 PolarHBondContact O-N 2.91Å; D91-N94 PolarHBondContact O-N 2.92Å; D91-N94 VanDerWaalsContact O-N 3.14Å; D91-I95 HydrophobicContact CB-CD1 4.38Å; D91-I95 WeakPolarHBondContact O-CB 3.09Å; D91-I95 WeakPolarHBondContact O-CD1 3.29Å; D91-I95 VanDerWaalsContact O-CG1 3.25Å; D91-I95 WeakPolarHBondContact O-CG1 3.46Å; D91-I95 PolarHBondContact O-N 2.98Å; D91-T285 PolarHBondContact OD2-OG1 2.94Å; D91-L288 HydrophobicContact CB-CD1 4.39Å
92	I	98.6	Very high	97.1	Very high	9 Å²	9	53.2 Å²	53.2	5%	0.046	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-42.5	178.6	-68.3	173	0	0	0	111.6	L87 Y88 I95 T96 S116 L117 A120	L87-I92 HydrophobicContact CB-CD1 4.16Å; L87-I92 HydrophobicContact CB-CG1 3.8Å; L87-I92 WeakPolarHBondContact O-CD1 3.31Å; Y88-I92 WeakPolarHBondContact O-CG1 3.46Å; Y88-I92 PolarHBondContact O-N 2.93Å; I92-I95 PolarHBondContact O-N 2.92Å; I92-T96 VanDerWaalsContact O-CB 3.3Å; I92-T96 WeakPolarHBondContact O-CB 3.23Å; I92-T96 PolarHBondContact O-N 3.02Å; I92-T96 PolarHBondContact O-OG1 3.35Å; I92-S116 WeakPolarHBondContact CD1-OG 3.44Å; I92-L117 HydrophobicContact CB-CD1 4.4Å; I92-L117 HydrophobicContact CG1-CD1 4.01Å; I92-L117 HydrophobicContact CG2-CD1 4.05Å; I92-A120 HydrophobicContact CG2-CB 3.38Å
93	A	98.5	Very high	97.4	Very high	56 Å²	56	52.7 Å²	52.7	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-44.5	178.8	0	0	0	0	0	111.4	T89 D91 M97	T89-A93 WeakPolarHBondContact O-CB 3.28Å; T89-A93 PolarHBondContact O-N 3.3Å; D91-A93 VanDerWaalsContact C-N 3.3Å; D91-A93 PolarHBondContact O-N 2.91Å; A93-M97 WeakPolarHBondContact O-CB 3.48Å; A93-M97 PolarHBondContact O-N 3.14Å; A93-M97 VanDerWaalsContact O-N 3.12Å
94	N	98.3	Very high	97.7	Very high	39 Å²	39	50.9 Å²	50.9	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-45.4	176.6	-79.8	-84.7	0	0	0	111.7	T90 D91 T96 M97 M98 V233 L288	T90-N94 PolarHBondContact O-N 3.48Å; T90-N94 PolarHBondContact O-ND2 3.45Å; D91-N94 PolarHBondContact O-N 2.92Å; D91-N94 VanDerWaalsContact O-N 3.14Å; N94-T96 VanDerWaalsContact C-N 3.34Å; N94-T96 PolarHBondContact O-N 2.82Å; N94-M97 PolarHBondContact O-N 2.83Å; N94-M98 VanDerWaalsContact O-CB 3.22Å; N94-M98 WeakPolarHBondContact O-CB 3.32Å; N94-M98 WeakPolarHBondContact O-CG 3.4Å; N94-M98 PolarHBondContact O-N 3.13Å; N94-V233 HydrophobicContact CB-CG2 4.3Å; N94-L288 HydrophobicContact CB-CD1 4.38Å
95	I	98.8	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-50.2	176.1	-69.6	160.2	0	0	0	110.4	L87 D91 I92 M97 M98 L99 L117 F179 L288	L87-I95 HydrophobicContact CD1-CD1 3.42Å; L87-I95 VanDerWaalsContact CD1-CD1 3.42Å; D91-I95 HydrophobicContact CB-CD1 4.38Å; D91-I95 WeakPolarHBondContact O-CB 3.09Å; D91-I95 WeakPolarHBondContact O-CD1 3.29Å; D91-I95 VanDerWaalsContact O-CG1 3.25Å; D91-I95 WeakPolarHBondContact O-CG1 3.46Å; D91-I95 PolarHBondContact O-N 2.98Å; I92-I95 PolarHBondContact O-N 2.92Å; I95-M97 VanDerWaalsContact C-N 3.32Å; I95-M97 PolarHBondContact O-N 3.36Å; I95-M98 PolarHBondContact O-N 2.84Å; I95-L99 HydrophobicContact CG2-CD1 3.61Å; I95-L99 HydrophobicContact CG2-CG 4.23Å; I95-L99 WeakPolarHBondContact O-CB 3.44Å; I95-L99 WeakPolarHBondContact O-CG 3.25Å; I95-L99 PolarHBondContact O-N 3.44Å; I95-L117 HydrophobicContact CG2-CD1 4.21Å; I95-F179 HydrophobicContact CD1-CD2 4.29Å; I95-F179 HydrophobicContact CD1-CE2 3.5Å; I95-F179 HydrophobicContact CD1-CZ 4.01Å; I95-F179 HydrophobicContact CG1-CD2 4.45Å; I95-F179 HydrophobicContact CG1-CE2 3.98Å; I95-F179 HydrophobicContact CG2-CD2 3.7Å; I95-F179 HydrophobicContact CG2-CE2 4.04Å; I95-L288 HydrophobicContact CD1-CD2 3.78Å; I95-L288 HydrophobicContact CG1-CD1 4.05Å; I95-L288 HydrophobicContact CG1-CD2 3.77Å
96	T	98.8	Very high	98.2	Very high	22 Å²	22	43.6 Å²	43.6	14%	0.135	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-46.3	-177.7	-58.7	0	0	0	0	111.2	I92 N94 E100 L101 T124	I92-T96 VanDerWaalsContact O-CB 3.3Å; I92-T96 WeakPolarHBondContact O-CB 3.23Å; I92-T96 PolarHBondContact O-N 3.02Å; I92-T96 PolarHBondContact O-OG1 3.35Å; N94-T96 VanDerWaalsContact C-N 3.34Å; N94-T96 PolarHBondContact O-N 2.82Å; T96-E100 PolarHBondContact O-N 3.38Å; T96-L101 HydrophobicContact CG2-CB 4.06Å; T96-L101 HydrophobicContact CG2-CD1 4.34Å; T96-L101 PolarHBondContact O-N 2.95Å; T96-L101 VanDerWaalsContact O-N 3.1Å; T96-T124 HydrophobicContact CG2-CG2 3.78Å
97	M	98.8	Very high	98.3	Very high	127 Å²	127	43 Å²	43	63%	0.626	24%	0.236	S	C	*	.	H	α-helix	trans	-68.8	-49.1	179.8	-175.4	-178.5	71.9	0	0	112	A93 N94 I95 L99 E100	A93-M97 WeakPolarHBondContact O-CB 3.48Å; A93-M97 PolarHBondContact O-N 3.14Å; A93-M97 VanDerWaalsContact O-N 3.12Å; N94-M97 PolarHBondContact O-N 2.83Å; I95-M97 VanDerWaalsContact C-N 3.32Å; I95-M97 PolarHBondContact O-N 3.36Å; M97-L99 VanDerWaalsContact C-N 3.32Å; M97-L99 PolarHBondContact O-N 2.86Å; M97-E100 WeakPolarHBondContact O-CA 3.33Å; M97-E100 PolarHBondContact O-N 3.12Å
98	M	98.8	Very high	98.4	Very high	56 Å²	56	42.7 Å²	42.7	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-76.3	-17.9	-173.5	-66	-63.8	-70.9	0	0	113.6	N94 I95 E100 R202 F290	N94-M98 VanDerWaalsContact O-CB 3.22Å; N94-M98 WeakPolarHBondContact O-CB 3.32Å; N94-M98 WeakPolarHBondContact O-CG 3.4Å; N94-M98 PolarHBondContact O-N 3.13Å; I95-M98 PolarHBondContact O-N 2.84Å; M98-E100 VanDerWaalsContact C-N 3.32Å; M98-R202 PolarHBondContact O-NE 2.76Å; M98-R202 PolarHBondContact O-NH2 3.43Å; M98-F290 HydrophobicContact CB-CD1 3.59Å; M98-F290 HydrophobicContact CB-CD2 4.42Å; M98-F290 HydrophobicContact CB-CE1 3.26Å; M98-F290 HydrophobicContact CB-CE2 4.14Å; M98-F290 HydrophobicContact CB-CG 4.17Å; M98-F290 HydrophobicContact CB-CZ 3.56Å; M98-F290 HydrophobicContact CG-CE1 4.22Å; M98-F290 HydrophobicContact CG-CE2 4.28Å; M98-F290 HydrophobicContact CG-CZ 4.02Å
99	L	98.8	Very high	98.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.3	165.8	-72.7	-178.2	0	0	0	113.3	I95 M97 L101 A177 F179 R202 C204	I95-L99 HydrophobicContact CG2-CD1 3.61Å; I95-L99 HydrophobicContact CG2-CG 4.23Å; I95-L99 WeakPolarHBondContact O-CB 3.44Å; I95-L99 WeakPolarHBondContact O-CG 3.25Å; I95-L99 PolarHBondContact O-N 3.44Å; M97-L99 VanDerWaalsContact C-N 3.32Å; M97-L99 PolarHBondContact O-N 2.86Å; L99-L101 HydrophobicContact CB-CD2 3.76Å; L99-L101 HydrophobicContact CB-CG 3.84Å; L99-L101 PolarHBondContact O-N 3.4Å; L99-A177 HydrophobicContact CB-CB 4.12Å; L99-A177 HydrophobicContact CD1-CB 4.43Å; L99-A177 HydrophobicContact CD2-CB 4.27Å; L99-F179 HydrophobicContact CD1-CB 4.15Å; L99-F179 HydrophobicContact CD1-CD2 4.43Å; L99-R202 HydrophobicContact CD2-CB 3.8Å; L99-C204 HydrophobicContact CD1-CB 4.04Å; L99-C204 HydrophobicContact CD2-CB 3.56Å; L99-C204 HydrophobicContact CG-CB 3.87Å
100	E	98.7	Very high	98.6	Very high	115 Å²	115	36.3 Å²	36.3	54%	0.537	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	34.7	179.5	-55.2	174.1	-157	0	0	113.6	T96 M97 M98 K102 R202	T96-E100 PolarHBondContact O-N 3.38Å; M97-E100 WeakPolarHBondContact O-CA 3.33Å; M97-E100 PolarHBondContact O-N 3.12Å; M98-E100 VanDerWaalsContact C-N 3.32Å; E100-K102 PolarHBondContact O-N 3.42Å; E100-R202 HydrophobicContact CG-CG 4.29Å
101	L	98.9	Very high	98.7	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.084	20%	0.202	C	C	.	.			trans	-67.5	134.1	-178.9	-54.9	-170.2	0	0	0	110.5	T96 L99 V107 I121 T124 A177	T96-L101 HydrophobicContact CG2-CB 4.06Å; T96-L101 HydrophobicContact CG2-CD1 4.34Å; T96-L101 PolarHBondContact O-N 2.95Å; T96-L101 VanDerWaalsContact O-N 3.1Å; L99-L101 HydrophobicContact CB-CD2 3.76Å; L99-L101 HydrophobicContact CB-CG 3.84Å; L99-L101 PolarHBondContact O-N 3.4Å; L101-V107 HydrophobicContact CD2-CG2 3.64Å; L101-I121 HydrophobicContact CD1-CG1 3.9Å; L101-I121 HydrophobicContact CD1-CG2 4.48Å; L101-T124 HydrophobicContact CB-CG2 3.78Å; L101-T124 WeakPolarHBondContact O-CG2 3.39Å; L101-A177 HydrophobicContact CD2-CB 3.55Å
102	K	98.8	Very high	98.7	Very high	123 Å²	123	35.5 Å²	35.5	54%	0.535	20%	0.202	S	C	.	.			trans	-153.2	167.8	-178.6	59.9	-167.5	168.5	-148.7	0	110.4	E100 G104 S105 T124 I125	E100-K102 PolarHBondContact O-N 3.42Å; K102-G104 PolarHBondContact O-N 3.35Å; K102-S105 WeakPolarHBondContact CG-OG 3.45Å; K102-S105 PolarHBondContact N-OG 2.86Å; K102-S105 VanDerWaalsContact N-OG 3.1Å; K102-S105 VanDerWaalsContact O-CB 3.29Å; K102-S105 WeakPolarHBondContact O-CB 3.47Å; K102-S105 PolarHBondContact O-N 2.84Å; K102-S105 PolarHBondContact O-OG 3.1Å; K102-S105 VanDerWaalsContact O-OG 3.06Å; K102-T124 CarbonylContact C-O 3.53Å; K102-T124 VanDerWaalsContact C-O 3.25Å; K102-I125 WeakPolarHBondContact O-CA 2.94Å
103	P	98.8	Very high	98.6	Very high	89 Å²	89	35.6 Å²	35.6	58%	0.578	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	127.9	173.3	-31.2	38.5	0	0	0	111.5	T124 A126	P103-T124 WeakPolarHBondContact CD-O 3.27Å; P103-T124 VanDerWaalsContact N-O 3.13Å; P103-A126 WeakPolarHBondContact CB-O 3.41Å
104	G	98.6	Very high	98.5	Very high	29 Å²	29	33 Å²	33	30%	0.299	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-9.1	-177	0	0	0	0	0	115.7	K102 V106 I125 T128	K102-G104 PolarHBondContact O-N 3.35Å; G104-V106 PolarHBondContact O-N 3.28Å; G104-I125 PolarHBondContact N-O 2.81Å; G104-T128 VanDerWaalsContact CA-OG1 3.31Å; G104-T128 WeakPolarHBondContact CA-OG1 3.45Å; G104-T128 PolarHBondContact N-OG1 2.92Å
105	S	98.9	Very high	98.5	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.035	17%	0.174	C	C	.	.			trans	-62.2	135.5	175.1	-67.6	0	0	0	0	111.4	K102 G129 H130	K102-S105 WeakPolarHBondContact CG-OG 3.45Å; K102-S105 PolarHBondContact N-OG 2.86Å; K102-S105 VanDerWaalsContact N-OG 3.1Å; K102-S105 VanDerWaalsContact O-CB 3.29Å; K102-S105 WeakPolarHBondContact O-CB 3.47Å; K102-S105 PolarHBondContact O-N 2.84Å; K102-S105 PolarHBondContact O-OG 3.1Å; K102-S105 VanDerWaalsContact O-OG 3.06Å; S105-G129 WeakPolarHBondContact O-CA 3.44Å; S105-H130 PolarHBondContact O-N 3.43Å
106	V	98.9	Very high	98.5	Very high	28 Å²	28	31.4 Å²	31.4	17%	0.17	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.9	167.8	179.9	0	0	0	0	108.6	G104 H130 V174 A175 D176 A177	G104-V106 PolarHBondContact O-N 3.28Å; V106-H130 CarbonylContact C-O 3.56Å; V106-H130 WeakPolarHBondContact CA-O 3.35Å; V106-V174 WeakPolarHBondContact CB-O 3.42Å; V106-V174 HydrophobicContact CG1-CG2 4.23Å; V106-A175 CarbonylContact O-C 3.55Å; V106-A175 WeakPolarHBondContact O-CA 3.48Å; V106-D176 PolarHBondContact N-OD2 3.2Å; V106-D176 PolarHBondContact O-N 3.36Å; V106-A177 PolarHBondContact O-N 3.2Å
107	V	98.9	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138	-172.1	-172.2	0	0	0	0	110	L101 I121 I125 H130 L131 H132 A177	L101-V107 HydrophobicContact CD2-CG2 3.64Å; V107-I121 HydrophobicContact CB-CG2 4.04Å; V107-I121 HydrophobicContact CG1-CD1 4.11Å; V107-I121 HydrophobicContact CG1-CG2 4.23Å; V107-I121 HydrophobicContact CG2-CG2 3.99Å; V107-I125 HydrophobicContact CG2-CG2 3.93Å; V107-H130 PolarHBondContact N-O 2.71Å; V107-L131 HydrophobicContact CB-CD1 4.09Å; V107-L131 HydrophobicContact CG1-CD1 4.2Å; V107-L131 CarbonylContact O-C 3.57Å; V107-L131 WeakPolarHBondContact O-CA 3.46Å; V107-H132 PolarHBondContact O-N 2.78Å; V107-A177 WeakPolarHBondContact CA-O 3.46Å; V107-A177 HydrophobicContact CG1-CB 4.4Å; V107-A177 HydrophobicContact CG2-CB 4.47Å
108	C	98.9	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.7	168.2	-74.4	0	0	0	0	109.8	H132 F169 V171 A175 A177 V178 F179	C108-H132 CarbonylContact C-O 3.59Å; C108-H132 VanDerWaalsContact CA-O 3.29Å; C108-H132 WeakPolarHBondContact CA-O 3.2Å; C108-F169 HydrophobicContact CB-CB 4.33Å; C108-F169 HydrophobicContact CB-CD1 3.53Å; C108-F169 HydrophobicContact CB-CD2 4.34Å; C108-F169 HydrophobicContact CB-CE1 3.79Å; C108-F169 HydrophobicContact CB-CG 3.81Å; C108-F169 HydrophobicContact CB-CZ 4.31Å; C108-V171 VanDerWaalsContact SG-CG2 3.54Å; C108-A175 HydrophobicContact CB-CB 4.35Å; C108-A177 PolarHBondContact N-O 2.76Å; C108-V178 HydrophobicContact CB-CG1 4.38Å; C108-V178 HydrophobicContact CB-CG2 4.09Å; C108-V178 CarbonylContact O-C 3.54Å; C108-V178 VanDerWaalsContact O-CA 3.3Å; C108-V178 WeakPolarHBondContact O-CA 3.42Å; C108-F179 PolarHBondContact O-N 3.45Å
109	E	98.9	Very high	98.5	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.9	-177.9	176.1	-171.6	-125.3	0	0	109.9	S118 L131 H132 T133 V134 F179	E109-S118 VanDerWaalsContact CD-OG 3.3Å; E109-S118 PolarHBondContact OE1-N 3.13Å; E109-S118 PolarHBondContact OE1-OG 3.02Å; E109-S118 PolarHBondContact OE2-OG 3.01Å; E109-L131 HydrophobicContact CB-CD1 3.76Å; E109-H132 PolarHBondContact N-O 2.89Å; E109-T133 CarbonylContact O-C 3.49Å; E109-T133 VanDerWaalsContact O-CA 3.28Å; E109-T133 WeakPolarHBondContact O-CA 3.33Å; E109-T133 VanDerWaalsContact OE2-CB 3.27Å; E109-T133 WeakPolarHBondContact OE2-CB 3.47Å; E109-T133 PolarHBondContact OE2-OG1 2.92Å; E109-V134 PolarHBondContact O-N 2.89Å; E109-F179 WeakPolarHBondContact CA-O 3.32Å; E109-F179 HydrophobicContact CG-CD1 4.26Å
110	S	98.6	Very high	98.5	Very high	4 Å²	4	22 Å²	22	3%	0.028	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	134.8	161.6	-166.7	0	0	0	0	109.5	V134 V164 F179 L180 D181	S110-V134 PolarHBondContact OG-O 3.36Å; S110-V164 WeakPolarHBondContact OG-CG1 3.4Å; S110-F179 PolarHBondContact N-O 2.93Å; S110-L180 CarbonylContact O-C 3.53Å; S110-L180 WeakPolarHBondContact O-CA 3.19Å; S110-D181 PolarHBondContact O-N 3.43Å
111	G	97.4	Very high	98.5	Very high	16 Å²	16	16.5 Å²	16.5	17%	0.165	10%	0.103	C	C	.	.			cis	-84.5	151.4	-0.2	0	0	0	0	0	114.2	G113 V134 D181	G111-G113 VanDerWaalsContact C-N 3.34Å; G111-V134 WeakPolarHBondContact CA-O 3.3Å; G111-D181 PolarHBondContact N-O 3.21Å
112	T	98.4	Very high	98.5	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.031	10%	0.099	C	C	.	.			trans	-64.4	-39.1	172.4	-43.9	0	0	0	0	112	S114 G115 T133 V134 E135 A144 F148	T112-S114 PolarHBondContact O-N 3.47Å; T112-G115 PolarHBondContact O-N 3.1Å; T112-T133 WeakPolarHBondContact CB-OG1 3.3Å; T112-T133 HydrophobicContact CG2-CG2 3.84Å; T112-T133 WeakPolarHBondContact OG1-CG2 3.41Å; T112-T133 PolarHBondContact OG1-OG1 2.76Å; T112-V134 PolarHBondContact N-O 2.89Å; T112-E135 WeakPolarHBondContact OG1-CB 3.49Å; T112-A144 HydrophobicContact CG2-CB 3.69Å; T112-F148 HydrophobicContact CG2-CE2 4.25Å; T112-F148 HydrophobicContact CG2-CZ 4.25Å
113	G	96.6	Very high	98.5	Very high	10 Å²	10	14.5 Å²	14.5	10%	0.103	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-122.7	176.6	0	0	0	0	0	113.4	G111 E135	G111-G113 VanDerWaalsContact C-N 3.34Å; G113-E135 PolarHBondContact N-OE2 3.06Å; G113-E135 VanDerWaalsContact N-OE2 3.13Å
114	S	97.2	Very high	98.5	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.014	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	5	176.7	-48.4	0	0	0	0	113.7	R83 T84 T112 S116	R83-S114 PolarHBondContact N-OG 2.87Å; T84-S114 PolarHBondContact N-OG 2.89Å; T84-S114 PolarHBondContact OG1-N 3.42Å; T84-S114 PolarHBondContact OG1-OG 2.94Å; T112-S114 PolarHBondContact O-N 3.47Å; S114-S116 VanDerWaalsContact C-N 3.35Å; S114-S116 PolarHBondContact O-N 3.14Å
115	G	97.7	Very high	98.5	Very high	1 Å²	1	10 Å²	10	1%	0.01	6%	0.056	C	C	.	.	S	Bend	trans	73.5	16.2	173.7	0	0	0	0	0	115.9	T112 H119	T112-G115 PolarHBondContact O-N 3.1Å; G115-H119 PolarHBondContact O-N 2.97Å; G115-H119 VanDerWaalsContact O-N 3.16Å; G115-H119 PolarHBondContact O-ND1 2.68Å
116	S	98.5	Very high	98.5	Very high	4 Å²	4	10.4 Å²	10.4	3%	0.028	6%	0.06	C	C	.	.	H	α-helix	trans	-61.8	-58.2	178	173.6	0	0	0	0	111.7	T77 L87 I92 S114 S118 H119 A120	T77-S116 VanDerWaalsContact CG2-OG 3.28Å; T77-S116 WeakPolarHBondContact CG2-OG 3.39Å; T77-S116 PolarHBondContact OG1-OG 3.13Å; L87-S116 PolarHBondContact O-OG 2.82Å; I92-S116 WeakPolarHBondContact CD1-OG 3.44Å; S114-S116 VanDerWaalsContact C-N 3.35Å; S114-S116 PolarHBondContact O-N 3.14Å; S116-S118 VanDerWaalsContact C-N 3.33Å; S116-S118 PolarHBondContact O-N 3.05Å; S116-H119 PolarHBondContact O-N 3.49Å; S116-A120 PolarHBondContact O-N 2.89Å
117	L	98.7	Very high	98.4	Very high	9 Å²	9	14.1 Å²	14.1	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-62.8	-40.8	176.7	178	65.4	0	0	0	111.2	L87 I92 I95 H119 A120 I121 F179	L87-L117 HydrophobicContact CD1-CB 4.42Å; L87-L117 HydrophobicContact CD1-CD2 4.12Å; I92-L117 HydrophobicContact CB-CD1 4.4Å; I92-L117 HydrophobicContact CG1-CD1 4.01Å; I92-L117 HydrophobicContact CG2-CD1 4.05Å; I95-L117 HydrophobicContact CG2-CD1 4.21Å; L117-H119 VanDerWaalsContact C-N 3.3Å; L117-H119 PolarHBondContact O-N 3.46Å; L117-A120 WeakPolarHBondContact O-CA 3.16Å; L117-A120 WeakPolarHBondContact O-CB 3.5Å; L117-A120 PolarHBondContact O-N 2.73Å; L117-I121 HydrophobicContact CD1-CD1 4.21Å; L117-I121 HydrophobicContact CD1-CG1 4.1Å; L117-I121 HydrophobicContact CD2-CD1 4.04Å; L117-I121 HydrophobicContact CG-CD1 3.69Å; L117-I121 HydrophobicContact CG-CG1 4.06Å; L117-I121 WeakPolarHBondContact O-CG1 3.37Å; L117-I121 PolarHBondContact O-N 2.9Å; L117-F179 HydrophobicContact CD2-CB 4.33Å; L117-F179 HydrophobicContact CD2-CD1 3.12Å; L117-F179 HydrophobicContact CD2-CD2 3.94Å; L117-F179 HydrophobicContact CD2-CE1 3.21Å; L117-F179 HydrophobicContact CD2-CE2 4.06Å; L117-F179 HydrophobicContact CD2-CG 3.5Å; L117-F179 HydrophobicContact CD2-CZ 3.74Å
118	S	98.8	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-53.7	-44.3	179.1	-40.8	0	0	0	0	112.3	E109 S116 A120 I121 L122	E109-S118 VanDerWaalsContact CD-OG 3.3Å; E109-S118 PolarHBondContact OE1-N 3.13Å; E109-S118 PolarHBondContact OE1-OG 3.02Å; E109-S118 PolarHBondContact OE2-OG 3.01Å; S116-S118 VanDerWaalsContact C-N 3.33Å; S116-S118 PolarHBondContact O-N 3.05Å; S118-A120 VanDerWaalsContact C-N 3.35Å; S118-A120 PolarHBondContact O-N 2.91Å; S118-I121 PolarHBondContact O-N 2.82Å; S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 WeakPolarHBondContact O-CD1 3.43Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.01Å
119	H	98.8	Very high	98.4	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-37.2	176.8	-77.5	81.6	0	0	0	112.7	F3 P73 W76 G115 S116 L117 L122 R123 F148 H151	F3-H119 AromaticContact CD1-CD2 3.94Å; P73-H119 HydrophobicContact CB-CB 4.18Å; P73-H119 HydrophobicContact CG-CB 4.49Å; P73-H119 WeakPolarHBondContact CG-O 3.4Å; W76-H119 AromaticContact CD1-CG 3.84Å; W76-H119 AromaticContact CD1-ND1 3.74Å; W76-H119 AromaticContact NE1-CE1 3.63Å; W76-H119 AromaticContact NE1-ND1 3.58Å; G115-H119 PolarHBondContact O-N 2.97Å; G115-H119 VanDerWaalsContact O-N 3.16Å; G115-H119 PolarHBondContact O-ND1 2.68Å; S116-H119 PolarHBondContact O-N 3.49Å; L117-H119 VanDerWaalsContact C-N 3.3Å; L117-H119 PolarHBondContact O-N 3.46Å; H119-L122 PolarHBondContact O-N 2.73Å; H119-R123 WeakPolarHBondContact O-CB 3.4Å; H119-R123 PolarHBondContact O-N 2.78Å; H119-F148 AromaticContact CE1-CD1 3.84Å; H119-F148 AromaticContact CE1-CE1 3.61Å; H119-F148 AromaticContact ND1-CE1 3.91Å; H119-H151 AromaticContact CD2-ND1 3.82Å; H119-H151 AromaticContact CE1-ND1 3.68Å; H119-H151 AromaticContact NE2-CE1 3.72Å; H119-H151 AromaticContact NE2-CG 3.89Å; H119-H151 AromaticContact NE2-ND1 2.86Å; H119-H151 PolarHBondContact NE2-ND1 3.41Å
120	A	98.8	Very high	98.4	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.017	13%	0.128	C	C	.	.	H	α-helix	trans	-68.5	-40.2	176.8	0	0	0	0	0	112.1	P73 I92 S116 L117 S118 T124	P73-A120 HydrophobicContact CB-CB 4.14Å; I92-A120 HydrophobicContact CG2-CB 3.38Å; S116-A120 PolarHBondContact O-N 2.89Å; L117-A120 WeakPolarHBondContact O-CA 3.16Å; L117-A120 WeakPolarHBondContact O-CB 3.5Å; L117-A120 PolarHBondContact O-N 2.73Å; S118-A120 VanDerWaalsContact C-N 3.35Å; S118-A120 PolarHBondContact O-N 2.91Å; A120-T124 WeakPolarHBondContact O-CB 3.45Å; A120-T124 PolarHBondContact O-N 3.04Å; A120-T124 VanDerWaalsContact O-N 3.16Å; A120-T124 PolarHBondContact O-OG1 2.86Å
121	I	98.9	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-52.7	172.4	-68	170.4	0	0	0	109.5	L101 V107 L117 S118 R123 T124 I125 L131	L101-I121 HydrophobicContact CD1-CG1 3.9Å; L101-I121 HydrophobicContact CD1-CG2 4.48Å; V107-I121 HydrophobicContact CB-CG2 4.04Å; V107-I121 HydrophobicContact CG1-CD1 4.11Å; V107-I121 HydrophobicContact CG1-CG2 4.23Å; V107-I121 HydrophobicContact CG2-CG2 3.99Å; L117-I121 HydrophobicContact CD1-CD1 4.21Å; L117-I121 HydrophobicContact CD1-CG1 4.1Å; L117-I121 HydrophobicContact CD2-CD1 4.04Å; L117-I121 HydrophobicContact CG-CD1 3.69Å; L117-I121 HydrophobicContact CG-CG1 4.06Å; L117-I121 WeakPolarHBondContact O-CG1 3.37Å; L117-I121 PolarHBondContact O-N 2.9Å; S118-I121 PolarHBondContact O-N 2.82Å; I121-R123 VanDerWaalsContact C-N 3.31Å; I121-R123 PolarHBondContact O-N 2.89Å; I121-T124 WeakPolarHBondContact O-CA 3.45Å; I121-T124 WeakPolarHBondContact O-CB 3.18Å; I121-T124 PolarHBondContact O-N 2.85Å; I121-I125 HydrophobicContact CG2-CD1 3.9Å; I121-I125 HydrophobicContact CG2-CG1 4.45Å; I121-I125 HydrophobicContact CG2-CG2 4Å; I121-I125 WeakPolarHBondContact O-CG1 3.38Å; I121-I125 WeakPolarHBondContact O-CG2 3.22Å; I121-I125 PolarHBondContact O-N 3.12Å; I121-L131 HydrophobicContact CB-CD2 4.49Å; I121-L131 HydrophobicContact CD1-CD1 4.3Å; I121-L131 HydrophobicContact CG2-CB 4.5Å; I121-L131 HydrophobicContact CG2-CD1 4.11Å; I121-L131 HydrophobicContact CG2-CD2 4.33Å
122	L	98.8	Very high	98.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-56	-44.2	-177.7	-70.9	166.4	0	0	0	112.3	S118 H119 T124 A126 L131 F148 V153 L156 V157	S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 WeakPolarHBondContact O-CD1 3.43Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.01Å; H119-L122 PolarHBondContact O-N 2.73Å; L122-T124 VanDerWaalsContact C-N 3.29Å; L122-T124 PolarHBondContact O-N 3.5Å; L122-A126 VanDerWaalsContact O-CB 3.32Å; L122-A126 WeakPolarHBondContact O-CB 3.29Å; L122-A126 PolarHBondContact O-N 3.23Å; L122-A126 VanDerWaalsContact O-N 3.1Å; L122-L131 HydrophobicContact CD2-CB 3.96Å; L122-L131 HydrophobicContact CD2-CD2 4.28Å; L122-L131 HydrophobicContact CG-CD2 4.13Å; L122-F148 HydrophobicContact CD1-CD1 3.85Å; L122-F148 HydrophobicContact CD1-CE1 3.82Å; L122-V153 HydrophobicContact CD1-CB 4.2Å; L122-V153 HydrophobicContact CD1-CG2 3.82Å; L122-L156 HydrophobicContact CD2-CB 3.5Å; L122-L156 VanDerWaalsContact CD2-CB 3.5Å; L122-L156 WeakPolarHBondContact CD2-O 3.18Å; L122-V157 HydrophobicContact CD1-CB 4.35Å; L122-V157 HydrophobicContact CD1-CG1 4.36Å; L122-V157 HydrophobicContact CD2-CB 3.81Å; L122-V157 HydrophobicContact CD2-CG1 4.42Å
123	R	98.8	Very high	98.5	Very high	95 Å²	95	21.6 Å²	21.6	36%	0.358	12%	0.123	S	C	.	.	H	α-helix	trans	-60.6	-37.2	174.3	-179.4	-87.1	-54.4	-90	-4.3	112.8	P73 E74 H119 I121	P73-R123 HydrophobicContact CG-CB 3.64Å; P73-R123 HydrophobicContact CG-CG 4Å; E74-R123 IonicContact OE1-CZ 2.68Å; E74-R123 IonicContact OE1-NH1 2.83Å; E74-R123 PolarHBondContact OE1-NH1 2.97Å; E74-R123 IonicContact OE1-NH2 3.01Å; E74-R123 PolarHBondContact OE1-NH2 3.01Å; E74-R123 IonicContact OE2-NH1 3.67Å; H119-R123 WeakPolarHBondContact O-CB 3.4Å; H119-R123 PolarHBondContact O-N 2.78Å; I121-R123 VanDerWaalsContact C-N 3.31Å; I121-R123 PolarHBondContact O-N 2.89Å
124	T	98.9	Very high	98.6	Very high	25 Å²	25	21.1 Å²	21.1	15%	0.153	12%	0.118	C	C	.	.	H	α-helix	trans	-78.5	-36.7	-176.3	-54	0	0	0	0	112.5	T96 L101 K102 P103 A120 I121 L122	T96-T124 HydrophobicContact CG2-CG2 3.78Å; L101-T124 HydrophobicContact CB-CG2 3.78Å; L101-T124 WeakPolarHBondContact O-CG2 3.39Å; K102-T124 CarbonylContact C-O 3.53Å; K102-T124 VanDerWaalsContact C-O 3.25Å; P103-T124 WeakPolarHBondContact CD-O 3.27Å; P103-T124 VanDerWaalsContact N-O 3.13Å; A120-T124 WeakPolarHBondContact O-CB 3.45Å; A120-T124 PolarHBondContact O-N 3.04Å; A120-T124 VanDerWaalsContact O-N 3.16Å; A120-T124 PolarHBondContact O-OG1 2.86Å; I121-T124 WeakPolarHBondContact O-CA 3.45Å; I121-T124 WeakPolarHBondContact O-CB 3.18Å; I121-T124 PolarHBondContact O-N 2.85Å; L122-T124 VanDerWaalsContact C-N 3.29Å; L122-T124 PolarHBondContact O-N 3.5Å
125	I	98.8	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-90.8	-16.1	-174.2	73.6	179.4	0	0	0	113.7	K102 G104 V107 I121 G129 H130 L131	K102-I125 WeakPolarHBondContact O-CA 2.94Å; G104-I125 PolarHBondContact N-O 2.81Å; V107-I125 HydrophobicContact CG2-CG2 3.93Å; I121-I125 HydrophobicContact CG2-CD1 3.9Å; I121-I125 HydrophobicContact CG2-CG1 4.45Å; I121-I125 HydrophobicContact CG2-CG2 4Å; I121-I125 WeakPolarHBondContact O-CG1 3.38Å; I121-I125 WeakPolarHBondContact O-CG2 3.22Å; I121-I125 PolarHBondContact O-N 3.12Å; I125-G129 WeakPolarHBondContact O-CA 3.42Å; I125-G129 PolarHBondContact O-N 2.84Å; I125-H130 VanDerWaalsContact CD1-C 3.47Å; I125-L131 HydrophobicContact CD1-CB 4.14Å
126	A	98.5	Very high	98.7	Very high	13 Å²	13	27.7 Å²	27.7	11%	0.107	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	151.4	173.3	0	0	0	0	0	111.9	V4 P103 L122 L156	V4-A126 HydrophobicContact CB-CB 3.89Å; V4-A126 HydrophobicContact CG1-CB 3.85Å; V4-A126 HydrophobicContact CG2-CB 4.49Å; P103-A126 WeakPolarHBondContact CB-O 3.41Å; L122-A126 VanDerWaalsContact O-CB 3.32Å; L122-A126 WeakPolarHBondContact O-CB 3.29Å; L122-A126 PolarHBondContact O-N 3.23Å; L122-A126 VanDerWaalsContact O-N 3.1Å; A126-L156 HydrophobicContact CB-CD1 3.77Å
127	P	98.1	Very high	98.7	Very high	105 Å²	105	30.7 Å²	30.7	68%	0.682	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.5	-6	0.9	34.2	-31.9	0	0	0	114.3
128	T	98.6	Very high	98.6	Very high	110 Å²	110	35.7 Å²	35.7	68%	0.675	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-7.2	-168.1	47.3	0	0	0	0	114.8	G104	G104-T128 VanDerWaalsContact CA-OG1 3.31Å; G104-T128 WeakPolarHBondContact CA-OG1 3.45Å; G104-T128 PolarHBondContact N-OG1 2.92Å
129	G	98.8	Very high	98.6	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.031	21%	0.214	C	C	.	.			trans	-81.4	175.1	176.4	0	0	0	0	0	112.7	S105 I125 L156	S105-G129 WeakPolarHBondContact O-CA 3.44Å; I125-G129 WeakPolarHBondContact O-CA 3.42Å; I125-G129 PolarHBondContact O-N 2.84Å; G129-L156 WeakPolarHBondContact O-CD2 3.44Å
130	H	98.9	Very high	98.5	Very high	49 Å²	49	44.9 Å²	44.9	23%	0.227	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	139.1	177.2	-155.4	89.1	0	0	0	112	S105 V106 V107 I125 H132 L156 T158	S105-H130 PolarHBondContact O-N 3.43Å; V106-H130 CarbonylContact C-O 3.56Å; V106-H130 WeakPolarHBondContact CA-O 3.35Å; V107-H130 PolarHBondContact N-O 2.71Å; I125-H130 VanDerWaalsContact CD1-C 3.47Å; H130-H132 AromaticContact CD2-CE1 3.42Å; H130-H132 PolarHBondContact CD2-CE1 3.32Å; H130-H132 VanDerWaalsContact CD2-CE1 3.42Å; H130-H132 AromaticContact CD2-ND1 3.81Å; H130-H132 AromaticContact CD2-NE2 3.77Å; H130-H132 AromaticContact NE2-CE1 3.95Å; H130-L156 CarbonylContact C-O 3.53Å; H130-L156 WeakPolarHBondContact CA-O 3.28Å; H130-T158 PolarHBondContact NE2-OG1 2.92Å
131	L	98.9	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122	175.7	176.8	58.3	0	0	0	110.4	V107 E109 I121 L122 I125 L156 V157 T158	V107-L131 HydrophobicContact CB-CD1 4.09Å; V107-L131 HydrophobicContact CG1-CD1 4.2Å; V107-L131 CarbonylContact O-C 3.57Å; V107-L131 WeakPolarHBondContact O-CA 3.46Å; E109-L131 HydrophobicContact CB-CD1 3.76Å; I121-L131 HydrophobicContact CB-CD2 4.49Å; I121-L131 HydrophobicContact CD1-CD1 4.3Å; I121-L131 HydrophobicContact CG2-CB 4.5Å; I121-L131 HydrophobicContact CG2-CD1 4.11Å; I121-L131 HydrophobicContact CG2-CD2 4.33Å; L122-L131 HydrophobicContact CD2-CB 3.96Å; L122-L131 HydrophobicContact CD2-CD2 4.28Å; L122-L131 HydrophobicContact CG-CD2 4.13Å; I125-L131 HydrophobicContact CD1-CB 4.14Å; L131-L156 PolarHBondContact N-O 3.42Å; L131-V157 HydrophobicContact CB-CB 4.25Å; L131-V157 HydrophobicContact CB-CG2 4.08Å; L131-V157 HydrophobicContact CD2-CG2 4Å; L131-V157 HydrophobicContact CG-CG2 4.02Å; L131-V157 CarbonylContact O-C 3.59Å; L131-V157 VanDerWaalsContact O-CA 3.29Å; L131-V157 WeakPolarHBondContact O-CA 3.39Å; L131-T158 PolarHBondContact O-N 2.8Å
132	H	98.9	Very high	98.5	Very high	24 Å²	24	50.3 Å²	50.3	11%	0.111	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	99.2	167.1	-64.1	-63.5	0	0	0	109	V107 C108 E109 H130 R160 V171	V107-H132 PolarHBondContact O-N 2.78Å; C108-H132 CarbonylContact C-O 3.59Å; C108-H132 VanDerWaalsContact CA-O 3.29Å; C108-H132 WeakPolarHBondContact CA-O 3.2Å; E109-H132 PolarHBondContact N-O 2.89Å; H130-H132 AromaticContact CD2-CE1 3.42Å; H130-H132 PolarHBondContact CD2-CE1 3.32Å; H130-H132 VanDerWaalsContact CD2-CE1 3.42Å; H130-H132 AromaticContact CD2-ND1 3.81Å; H130-H132 AromaticContact CD2-NE2 3.77Å; H130-H132 AromaticContact NE2-CE1 3.95Å; H132-R160 PolarHBondContact ND1-NH1 2.99Å; H132-V171 HydrophobicContact CB-CG2 4.4Å
133	T	98.9	Very high	98.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.3	-178.3	-168.7	0	0	0	0	111.2	E109 T112 F148 V157 T158 V159 R160	E109-T133 CarbonylContact O-C 3.49Å; E109-T133 VanDerWaalsContact O-CA 3.28Å; E109-T133 WeakPolarHBondContact O-CA 3.33Å; E109-T133 VanDerWaalsContact OE2-CB 3.27Å; E109-T133 WeakPolarHBondContact OE2-CB 3.47Å; E109-T133 PolarHBondContact OE2-OG1 2.92Å; T112-T133 WeakPolarHBondContact CB-OG1 3.3Å; T112-T133 HydrophobicContact CG2-CG2 3.84Å; T112-T133 WeakPolarHBondContact OG1-CG2 3.41Å; T112-T133 PolarHBondContact OG1-OG1 2.76Å; T133-F148 HydrophobicContact CG2-CE2 4.4Å; T133-V157 HydrophobicContact CG2-CG2 3.87Å; T133-T158 PolarHBondContact N-O 2.94Å; T133-V159 HydrophobicContact CG2-CB 4.18Å; T133-V159 HydrophobicContact CG2-CG1 4.25Å; T133-V159 HydrophobicContact CG2-CG2 3.77Å; T133-V159 CarbonylContact O-C 3.43Å; T133-V159 WeakPolarHBondContact O-CA 3.28Å; T133-R160 PolarHBondContact O-N 2.87Å
134	V	98.9	Very high	98.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.2	-178.1	-179.2	0	0	0	0	110.3	E109 S110 G111 T112 R160 Q162 V164 F169	E109-V134 PolarHBondContact O-N 2.89Å; S110-V134 PolarHBondContact OG-O 3.36Å; G111-V134 WeakPolarHBondContact CA-O 3.3Å; T112-V134 PolarHBondContact N-O 2.89Å; V134-R160 WeakPolarHBondContact CA-O 3.28Å; V134-R160 HydrophobicContact CG2-CB 4.37Å; V134-Q162 HydrophobicContact CG1-CG 3.63Å; V134-Q162 WeakPolarHBondContact CG1-O 3.43Å; V134-V164 HydrophobicContact CB-CB 4.42Å; V134-V164 HydrophobicContact CG1-CB 4.03Å; V134-F169 HydrophobicContact CG2-CD1 3.99Å
135	E	98.6	Very high	98.4	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.023	25%	0.252	C	S	.	.			trans	-136.9	115.2	175.3	166.2	62.6	-104.3	0	0	109.6	T112 G113 H137 R140 A141 R160 N161	T112-E135 WeakPolarHBondContact OG1-CB 3.49Å; G113-E135 PolarHBondContact N-OE2 3.06Å; G113-E135 VanDerWaalsContact N-OE2 3.13Å; E135-H137 VanDerWaalsContact C-N 3.27Å; E135-H137 PolarHBondContact O-N 3.24Å; E135-H137 VanDerWaalsContact OE1-CB 3.26Å; E135-H137 WeakPolarHBondContact OE1-CB 3.44Å; E135-H137 PolarHBondContact OE1-N 3.38Å; E135-R140 VanDerWaalsContact CD-NE 3.31Å; E135-R140 HydrophobicContact CG-CB 3.73Å; E135-R140 IonicContact OE1-CZ 2.66Å; E135-R140 IonicContact OE1-NE 2.82Å; E135-R140 PolarHBondContact OE1-NE 3.17Å; E135-R140 IonicContact OE1-NH2 2.97Å; E135-R140 PolarHBondContact OE1-NH2 3Å; E135-R140 IonicContact OE2-CZ 3.19Å; E135-R140 IonicContact OE2-NE 3.59Å; E135-R140 PolarHBondContact OE2-NE 3.45Å; E135-R140 IonicContact OE2-NH2 3.66Å; E135-A141 HydrophobicContact CB-CB 4.04Å; E135-A141 HydrophobicContact CG-CB 3.97Å; E135-R160 PolarHBondContact N-O 2.97Å; E135-N161 VanDerWaalsContact O-CA 3.28Å; E135-N161 WeakPolarHBondContact O-CA 3.29Å; E135-N161 PolarHBondContact O-ND2 3.23Å
136	F	97.6	Very high	98.3	Very high	136 Å²	136	52.9 Å²	52.9	60%	0.596	27%	0.268	S	S	*	.	S	Bend	trans	-70.2	-23.8	-176	80.9	-82.8	0	0	0	113	Q138 N161 Q162	F136-Q138 PolarHBondContact O-N 3.13Å; F136-N161 PolarHBondContact O-ND2 3.48Å; F136-Q162 WeakPolarHBondContact CA-O 3.27Å; F136-Q162 WeakPolarHBondContact CB-O 3.45Å
137	H	98.2	Very high	98.3	Very high	67 Å²	67	52.5 Å²	52.5	31%	0.31	26%	0.264	S	S	.	.	S	Bend	trans	-87.7	109.3	-179.4	-169.1	-72.1	0	0	0	111.9	E135 Q139 R140 A141	E135-H137 VanDerWaalsContact C-N 3.27Å; E135-H137 PolarHBondContact O-N 3.24Å; E135-H137 VanDerWaalsContact OE1-CB 3.26Å; E135-H137 WeakPolarHBondContact OE1-CB 3.44Å; E135-H137 PolarHBondContact OE1-N 3.38Å; H137-Q139 PolarHBondContact O-N 2.95Å; H137-R140 HydrophobicContact CB-CB 4.43Å; H137-R140 PolarHBondContact O-N 2.83Å; H137-A141 PolarHBondContact O-N 2.76Å; H137-A141 VanDerWaalsContact O-N 3.08Å
138	Q	97.9	Very high	98.3	Very high	114 Å²	114	47.7 Å²	47.7	53%	0.533	23%	0.232	S	C	.	.	H	α-helix	trans	-48.5	-52.3	-171.4	-175.8	178.2	-4.3	0	0	114	F136 R140 A141 E142 N161	F136-Q138 PolarHBondContact O-N 3.13Å; Q138-R140 PolarHBondContact O-N 2.89Å; Q138-A141 PolarHBondContact O-N 2.86Å; Q138-A141 VanDerWaalsContact O-N 3.16Å; Q138-E142 HydrophobicContact CG-CG 4.39Å; Q138-E142 VanDerWaalsContact CG-OE1 3.29Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.36Å; Q138-E142 PolarHBondContact NE2-OE1 2.93Å; Q138-E142 WeakPolarHBondContact O-CG 3.42Å; Q138-E142 PolarHBondContact O-N 2.7Å; Q138-N161 WeakPolarHBondContact CA-ND2 3.3Å; Q138-N161 PolarHBondContact N-ND2 3.22Å
139	Q	98.1	Very high	98.2	Very high	143 Å²	143	50.6 Å²	50.6	67%	0.668	23%	0.231	S	C	*	.	H	α-helix	trans	-61.1	-32.8	-178.1	-63.3	176.1	-3.6	0	0	113.1	H137 K143	H137-Q139 PolarHBondContact O-N 2.95Å; Q139-K143 VanDerWaalsContact O-CB 3.3Å; Q139-K143 WeakPolarHBondContact O-CB 3.49Å; Q139-K143 PolarHBondContact O-N 3.31Å; Q139-K143 VanDerWaalsContact O-N 3.08Å
140	R	97.9	Very high	98	Very high	50 Å²	50	53.2 Å²	53.2	19%	0.189	24%	0.242	C	C	.	.	H	α-helix	trans	-75.3	-41.3	178.1	-72	-162.8	-62.9	-94.8	-0.5	110.6	E135 H137 Q138 K143 A144	E135-R140 VanDerWaalsContact CD-NE 3.31Å; E135-R140 HydrophobicContact CG-CB 3.73Å; E135-R140 IonicContact OE1-CZ 2.66Å; E135-R140 IonicContact OE1-NE 2.82Å; E135-R140 PolarHBondContact OE1-NE 3.17Å; E135-R140 IonicContact OE1-NH2 2.97Å; E135-R140 PolarHBondContact OE1-NH2 3Å; E135-R140 IonicContact OE2-CZ 3.19Å; E135-R140 IonicContact OE2-NE 3.59Å; E135-R140 PolarHBondContact OE2-NE 3.45Å; E135-R140 IonicContact OE2-NH2 3.66Å; H137-R140 HydrophobicContact CB-CB 4.43Å; H137-R140 PolarHBondContact O-N 2.83Å; Q138-R140 PolarHBondContact O-N 2.89Å; R140-K143 PolarHBondContact O-N 2.8Å; R140-A144 WeakPolarHBondContact O-CB 3.49Å; R140-A144 PolarHBondContact O-N 2.99Å
141	A	98.3	Very high	98	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-47.4	175.8	0	0	0	0	0	111.4	E135 H137 Q138 K143 A144 A145 V159 N161	E135-A141 HydrophobicContact CB-CB 4.04Å; E135-A141 HydrophobicContact CG-CB 3.97Å; H137-A141 PolarHBondContact O-N 2.76Å; H137-A141 VanDerWaalsContact O-N 3.08Å; Q138-A141 PolarHBondContact O-N 2.86Å; Q138-A141 VanDerWaalsContact O-N 3.16Å; A141-K143 PolarHBondContact O-N 3.27Å; A141-A144 PolarHBondContact O-N 3.39Å; A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.15Å; A141-V159 HydrophobicContact CB-CG1 3.98Å; A141-N161 HydrophobicContact CB-CB 4Å
142	E	98.3	Very high	97.9	Very high	111 Å²	111	56.2 Å²	56.2	52%	0.519	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-44.6	176.5	-72.2	172.3	-178.5	0	0	111.5	Q138 A145 E146	Q138-E142 HydrophobicContact CG-CG 4.39Å; Q138-E142 VanDerWaalsContact CG-OE1 3.29Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.36Å; Q138-E142 PolarHBondContact NE2-OE1 2.93Å; Q138-E142 WeakPolarHBondContact O-CG 3.42Å; Q138-E142 PolarHBondContact O-N 2.7Å; E142-A145 PolarHBondContact O-N 3.42Å; E142-E146 PolarHBondContact O-N 3.47Å
143	K	98	Very high	97.8	Very high	73 Å²	73	55.1 Å²	55.1	32%	0.317	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-42.2	179.9	-172.7	61.1	-172.6	170.2	0	112.7	Q139 R140 A141 E146 E147	Q139-K143 VanDerWaalsContact O-CB 3.3Å; Q139-K143 WeakPolarHBondContact O-CB 3.49Å; Q139-K143 PolarHBondContact O-N 3.31Å; Q139-K143 VanDerWaalsContact O-N 3.08Å; R140-K143 PolarHBondContact O-N 2.8Å; A141-K143 PolarHBondContact O-N 3.27Å; K143-E146 WeakPolarHBondContact CD-OE2 3.22Å; K143-E146 IonicContact NZ-OE2 3.6Å; K143-E146 PolarHBondContact NZ-OE2 2.63Å; K143-E146 WeakPolarHBondContact O-CB 3.4Å; K143-E146 PolarHBondContact O-N 3.46Å; K143-E147 WeakPolarHBondContact O-CG 3.41Å; K143-E147 PolarHBondContact O-N 2.7Å
144	A	97.9	Very high	97.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-43.3	175.2	0	0	0	0	0	111.3	T112 R140 A141 E146 E147 F148	T112-A144 HydrophobicContact CG2-CB 3.69Å; R140-A144 WeakPolarHBondContact O-CB 3.49Å; R140-A144 PolarHBondContact O-N 2.99Å; A141-A144 PolarHBondContact O-N 3.39Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-E146 PolarHBondContact O-N 2.98Å; A144-E147 PolarHBondContact O-N 2.88Å; A144-F148 HydrophobicContact CB-CE2 3.96Å; A144-F148 HydrophobicContact CB-CZ 4.41Å; A144-F148 WeakPolarHBondContact O-CD2 3.31Å; A144-F148 VanDerWaalsContact O-CG 3.23Å; A144-F148 WeakPolarHBondContact O-CG 3.33Å; A144-F148 PolarHBondContact O-N 3.22Å
145	A	98.3	Very high	97.7	Very high	31 Å²	31	62.8 Å²	62.8	26%	0.256	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-36.7	176.9	0	0	0	0	0	112.9	A141 E142 R149 V159	A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.15Å; E142-A145 PolarHBondContact O-N 3.42Å; A145-R149 PolarHBondContact O-N 2.94Å; A145-V159 HydrophobicContact CB-CB 4.38Å; A145-V159 HydrophobicContact CB-CG2 4.1Å
146	E	97.6	Very high	97.7	Very high	71 Å²	71	62.8 Å²	62.8	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-61.5	-52.2	170.8	-175.3	-175.1	-153	0	0	110.9	E142 K143 A144 F148 R149 E150	E142-E146 PolarHBondContact O-N 3.47Å; K143-E146 WeakPolarHBondContact CD-OE2 3.22Å; K143-E146 IonicContact NZ-OE2 3.6Å; K143-E146 PolarHBondContact NZ-OE2 2.63Å; K143-E146 WeakPolarHBondContact O-CB 3.4Å; K143-E146 PolarHBondContact O-N 3.46Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-E146 PolarHBondContact O-N 2.98Å; E146-F148 PolarHBondContact O-N 3.25Å; E146-R149 WeakPolarHBondContact O-CB 3.45Å; E146-R149 PolarHBondContact O-N 2.83Å; E146-E150 HydrophobicContact CG-CG 4.35Å; E146-E150 WeakPolarHBondContact O-CG 3.34Å; E146-E150 PolarHBondContact O-N 3.39Å
147	E	97.4	Very high	97.8	Very high	5 Å²	5	57 Å²	57	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-45.4	179.2	-73.8	173.5	175.9	0	0	111.8	R83 K143 A144 R149 E150 H151	R83-E147 IonicContact CZ-OE1 3.33Å; R83-E147 IonicContact CZ-OE2 2.94Å; R83-E147 IonicContact NH1-OE1 3.47Å; R83-E147 PolarHBondContact NH1-OE1 2.9Å; R83-E147 IonicContact NH1-OE2 2.76Å; R83-E147 IonicContact NH2-OE1 3.49Å; R83-E147 PolarHBondContact NH2-OE1 3.42Å; R83-E147 IonicContact NH2-OE2 3.77Å; R83-E147 PolarHBondContact NH2-OE2 2.91Å; K143-E147 WeakPolarHBondContact O-CG 3.41Å; K143-E147 PolarHBondContact O-N 2.7Å; A144-E147 PolarHBondContact O-N 2.88Å; E147-R149 PolarHBondContact O-N 3.45Å; E147-E150 PolarHBondContact O-N 3.37Å; E147-H151 VanDerWaalsContact O-CB 3.25Å; E147-H151 WeakPolarHBondContact O-CB 3.4Å; E147-H151 PolarHBondContact O-CD2 2.82Å; E147-H151 PolarHBondContact O-N 2.86Å; E147-H151 PolarHBondContact O-ND1 2.74Å
148	F	98.2	Very high	97.8	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-34.3	176.8	-62.4	-42.3	0	0	0	112.9	T112 H119 L122 T133 A144 E146 R152 V153 G154 V157 V159	T112-F148 HydrophobicContact CG2-CE2 4.25Å; T112-F148 HydrophobicContact CG2-CZ 4.25Å; H119-F148 AromaticContact CE1-CD1 3.84Å; H119-F148 AromaticContact CE1-CE1 3.61Å; H119-F148 AromaticContact ND1-CE1 3.91Å; L122-F148 HydrophobicContact CD1-CD1 3.85Å; L122-F148 HydrophobicContact CD1-CE1 3.82Å; T133-F148 HydrophobicContact CG2-CE2 4.4Å; A144-F148 HydrophobicContact CB-CE2 3.96Å; A144-F148 HydrophobicContact CB-CZ 4.41Å; A144-F148 WeakPolarHBondContact O-CD2 3.31Å; A144-F148 VanDerWaalsContact O-CG 3.23Å; A144-F148 WeakPolarHBondContact O-CG 3.33Å; A144-F148 PolarHBondContact O-N 3.22Å; E146-F148 PolarHBondContact O-N 3.25Å; F148-R152 PolarHBondContact O-N 3.16Å; F148-V153 HydrophobicContact CB-CG2 4.09Å; F148-V153 HydrophobicContact CD1-CG2 3.97Å; F148-V153 HydrophobicContact CG-CG2 4.47Å; F148-V153 CarbonylContact O-C 3.58Å; F148-V153 WeakPolarHBondContact O-CG2 3.33Å; F148-V153 PolarHBondContact O-N 3.5Å; F148-G154 PolarHBondContact O-N 2.89Å; F148-V157 HydrophobicContact CB-CG1 3.76Å; F148-V157 HydrophobicContact CD1-CG1 4.35Å; F148-V157 HydrophobicContact CD2-CG1 3.65Å; F148-V157 HydrophobicContact CD2-CG2 4.06Å; F148-V157 HydrophobicContact CE2-CG1 4.34Å; F148-V157 HydrophobicContact CE2-CG2 3.95Å; F148-V157 HydrophobicContact CG-CG1 3.68Å; F148-V159 HydrophobicContact CD2-CG2 3.7Å; F148-V159 HydrophobicContact CE2-CG2 3.63Å
149	R	97	Very high	97.8	Very high	171 Å²	171	52.5 Å²	52.5	65%	0.645	25%	0.253	S	S	*	.	H	α-helix	trans	-71.1	-47.2	175.3	-165.7	-171.7	-50	115.8	6.5	111.1	A145 E146 E147 H151 R152	A145-R149 PolarHBondContact O-N 2.94Å; E146-R149 WeakPolarHBondContact O-CB 3.45Å; E146-R149 PolarHBondContact O-N 2.83Å; E147-R149 PolarHBondContact O-N 3.45Å; R149-H151 VanDerWaalsContact C-N 3.27Å; R149-H151 PolarHBondContact O-N 2.66Å; R149-R152 PolarHBondContact O-N 3.4Å; R149-R152 VanDerWaalsContact O-N 3.08Å
150	E	95.1	Very high	97.9	Very high	58 Å²	58	48.2 Å²	48.2	27%	0.271	23%	0.231	S	C	.	.	H	α-helix	trans	-60	-39.2	177.8	-68.8	-169.9	145.9	0	0	111.8	K29 E146 E147 R152	K29-E150 IonicContact NZ-OE1 3.13Å; K29-E150 PolarHBondContact NZ-OE1 3.3Å; E146-E150 HydrophobicContact CG-CG 4.35Å; E146-E150 WeakPolarHBondContact O-CG 3.34Å; E146-E150 PolarHBondContact O-N 3.39Å; E147-E150 PolarHBondContact O-N 3.37Å; E150-R152 PolarHBondContact O-N 2.91Å
151	H	97.3	Very high	97.9	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.037	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	3.7	179.1	-61	171.3	0	0	0	113.6	F3 W76 H119 E147 R149 V153	F3-H151 HydrophobicContact CD2-CB 3.75Å; F3-H151 AromaticContact CD2-CG 3.99Å; F3-H151 HydrophobicContact CE2-CB 3.88Å; F3-H151 AromaticContact CE2-CG 3.58Å; F3-H151 AromaticContact CE2-ND1 3.66Å; W76-H151 AromaticContact CE2-CE1 3.83Å; W76-H151 AromaticContact CH2-CE1 3.6Å; W76-H151 AromaticContact CH2-NE2 3.93Å; W76-H151 AromaticContact CZ2-CE1 3.55Å; W76-H151 AromaticContact CZ3-CE1 3.97Å; H119-H151 AromaticContact CD2-ND1 3.82Å; H119-H151 AromaticContact CE1-ND1 3.68Å; H119-H151 AromaticContact NE2-CE1 3.72Å; H119-H151 AromaticContact NE2-CG 3.89Å; H119-H151 AromaticContact NE2-ND1 2.86Å; H119-H151 PolarHBondContact NE2-ND1 3.41Å; E147-H151 VanDerWaalsContact O-CB 3.25Å; E147-H151 WeakPolarHBondContact O-CB 3.4Å; E147-H151 PolarHBondContact O-CD2 2.82Å; E147-H151 PolarHBondContact O-N 2.86Å; E147-H151 PolarHBondContact O-ND1 2.74Å; R149-H151 VanDerWaalsContact C-N 3.27Å; R149-H151 PolarHBondContact O-N 2.66Å; H151-V153 HydrophobicContact CB-CG2 4.13Å; H151-V153 PolarHBondContact O-N 3.28Å
152	R	96.9	Very high	97.9	Very high	105 Å²	105	51.2 Å²	51.2	40%	0.396	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	28.5	177.8	-48.4	-172.3	-169.6	173.9	4.9	114.1	M1 E12 D14 F148 R149 E150 H155	M1-R152 VanDerWaalsContact N-NH1 3.18Å; M1-R152 WeakPolarHBondContact O-CD 3.39Å; E12-R152 PolarHBondContact O-NH2 2.94Å; D14-R152 IonicContact OD1-CZ 2.71Å; D14-R152 IonicContact OD1-NH2 2.79Å; F148-R152 PolarHBondContact O-N 3.16Å; R149-R152 PolarHBondContact O-N 3.4Å; R149-R152 VanDerWaalsContact O-N 3.08Å; E150-R152 PolarHBondContact O-N 2.91Å; R152-H155 PolarHBondContact O-CE1 2.9Å; R152-H155 PolarHBondContact O-ND1 3.06Å
153	V	97.8	Very high	97.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.			trans	-110.3	0.2	176.4	-64.6	0	0	0	0	113.1	F3 V4 L122 F148 H151 H155 L156	F3-V153 HydrophobicContact CB-CG1 4.12Å; V4-V153 HydrophobicContact CG1-CG1 3.95Å; L122-V153 HydrophobicContact CD1-CB 4.2Å; L122-V153 HydrophobicContact CD1-CG2 3.82Å; F148-V153 HydrophobicContact CB-CG2 4.09Å; F148-V153 HydrophobicContact CD1-CG2 3.97Å; F148-V153 HydrophobicContact CG-CG2 4.47Å; F148-V153 CarbonylContact O-C 3.58Å; F148-V153 WeakPolarHBondContact O-CG2 3.33Å; F148-V153 PolarHBondContact O-N 3.5Å; H151-V153 HydrophobicContact CB-CG2 4.13Å; H151-V153 PolarHBondContact O-N 3.28Å; V153-H155 PolarHBondContact O-N 3.1Å; V153-L156 PolarHBondContact O-N 2.8Å
154	G	97.8	Very high	97.9	Very high	36 Å²	36	45 Å²	45	37%	0.371	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-56.6	-19	179.9	0	0	0	0	0	115.5	F148 L156 V157	F148-G154 PolarHBondContact O-N 2.89Å; G154-L156 VanDerWaalsContact C-N 3.3Å; G154-V157 VanDerWaalsContact O-O 3.11Å
155	H	97.8	Very high	97.9	Very high	126 Å²	126	46.1 Å²	46.1	58%	0.583	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-75.4	-17.4	175.8	63.2	-79.8	0	0	0	113.6	R152 V153	R152-H155 PolarHBondContact O-CE1 2.9Å; R152-H155 PolarHBondContact O-ND1 3.06Å; V153-H155 PolarHBondContact O-N 3.1Å
156	L	98.6	Very high	97.9	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-100.7	-0	179.4	-64	169.9	0	0	0	112.7	V4 L122 A126 G129 H130 L131 V153 G154	V4-L156 HydrophobicContact CG1-CD1 4.05Å; L122-L156 HydrophobicContact CD2-CB 3.5Å; L122-L156 VanDerWaalsContact CD2-CB 3.5Å; L122-L156 WeakPolarHBondContact CD2-O 3.18Å; A126-L156 HydrophobicContact CB-CD1 3.77Å; G129-L156 WeakPolarHBondContact O-CD2 3.44Å; H130-L156 CarbonylContact C-O 3.53Å; H130-L156 WeakPolarHBondContact CA-O 3.28Å; L131-L156 PolarHBondContact N-O 3.42Å; V153-L156 PolarHBondContact O-N 2.8Å; G154-L156 VanDerWaalsContact C-N 3.3Å
157	V	98.8	Very high	97.9	Very high	13 Å²	13	54.4 Å²	54.4	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.9	-172.2	60.5	0	0	0	0	112.6	L122 L131 T133 F148 G154 V159	L122-V157 HydrophobicContact CD1-CB 4.35Å; L122-V157 HydrophobicContact CD1-CG1 4.36Å; L122-V157 HydrophobicContact CD2-CB 3.81Å; L122-V157 HydrophobicContact CD2-CG1 4.42Å; L131-V157 HydrophobicContact CB-CB 4.25Å; L131-V157 HydrophobicContact CB-CG2 4.08Å; L131-V157 HydrophobicContact CD2-CG2 4Å; L131-V157 HydrophobicContact CG-CG2 4.02Å; L131-V157 CarbonylContact O-C 3.59Å; L131-V157 VanDerWaalsContact O-CA 3.29Å; L131-V157 WeakPolarHBondContact O-CA 3.39Å; T133-V157 HydrophobicContact CG2-CG2 3.87Å; F148-V157 HydrophobicContact CB-CG1 3.76Å; F148-V157 HydrophobicContact CD1-CG1 4.35Å; F148-V157 HydrophobicContact CD2-CG1 3.65Å; F148-V157 HydrophobicContact CD2-CG2 4.06Å; F148-V157 HydrophobicContact CE2-CG1 4.34Å; F148-V157 HydrophobicContact CE2-CG2 3.95Å; F148-V157 HydrophobicContact CG-CG1 3.68Å; G154-V157 VanDerWaalsContact O-O 3.11Å; V157-V159 HydrophobicContact CG2-CG2 4.31Å
158	T	98.9	Very high	98	Very high	50 Å²	50	54.3 Å²	54.3	31%	0.307	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.7	167.4	-56.2	0	0	0	0	108.7	H130 L131 T133 R160	H130-T158 PolarHBondContact NE2-OG1 2.92Å; L131-T158 PolarHBondContact O-N 2.8Å; T133-T158 PolarHBondContact N-O 2.94Å; T158-R160 HydrophobicContact CG2-CG 4.38Å
159	V	98.8	Very high	98	Very high	37 Å²	37	54.3 Å²	54.3	22%	0.224	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.7	174.2	-171.3	0	0	0	0	108.7	T133 A141 A145 F148 V157	T133-V159 HydrophobicContact CG2-CB 4.18Å; T133-V159 HydrophobicContact CG2-CG1 4.25Å; T133-V159 HydrophobicContact CG2-CG2 3.77Å; T133-V159 CarbonylContact O-C 3.43Å; T133-V159 WeakPolarHBondContact O-CA 3.28Å; A141-V159 HydrophobicContact CB-CG1 3.98Å; A145-V159 HydrophobicContact CB-CB 4.38Å; A145-V159 HydrophobicContact CB-CG2 4.1Å; F148-V159 HydrophobicContact CD2-CG2 3.7Å; F148-V159 HydrophobicContact CE2-CG2 3.63Å; V157-V159 HydrophobicContact CG2-CG2 4.31Å
160	R	98.7	Very high	98	Very high	54 Å²	54	48.2 Å²	48.2	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.1	173.3	-62.3	-173.3	177.3	85.1	2	110.5	H132 T133 V134 E135 T158 Q162 F169	H132-R160 PolarHBondContact ND1-NH1 2.99Å; T133-R160 PolarHBondContact O-N 2.87Å; V134-R160 WeakPolarHBondContact CA-O 3.28Å; V134-R160 HydrophobicContact CG2-CB 4.37Å; E135-R160 PolarHBondContact N-O 2.97Å; T158-R160 HydrophobicContact CG2-CG 4.38Å; R160-Q162 HydrophobicContact CB-CG 4.03Å; R160-Q162 PolarHBondContact O-N 2.94Å; R160-F169 PolarHBondContact NH1-O 3.11Å
161	N	98.4	Very high	98.2	Very high	79 Å²	79	46.7 Å²	46.7	42%	0.422	25%	0.246	S	C	.	.			trans	-93.2	90.9	173.8	-179.8	-123.4	0	0	0	110.4	E135 F136 Q138 A141	E135-N161 VanDerWaalsContact O-CA 3.28Å; E135-N161 WeakPolarHBondContact O-CA 3.29Å; E135-N161 PolarHBondContact O-ND2 3.23Å; F136-N161 PolarHBondContact O-ND2 3.48Å; Q138-N161 WeakPolarHBondContact CA-ND2 3.3Å; Q138-N161 PolarHBondContact N-ND2 3.22Å; A141-N161 HydrophobicContact CB-CB 4Å
162	Q	97.9	Very high	98.2	Very high	40 Å²	40	51.7 Å²	51.7	19%	0.187	28%	0.277	C	S	.	.	S	Bend	trans	-159	168.2	-176.6	59.5	-174	74.4	0	0	111	V134 F136 R160 E167 G168	V134-Q162 HydrophobicContact CG1-CG 3.63Å; V134-Q162 WeakPolarHBondContact CG1-O 3.43Å; F136-Q162 WeakPolarHBondContact CA-O 3.27Å; F136-Q162 WeakPolarHBondContact CB-O 3.45Å; R160-Q162 HydrophobicContact CB-CG 4.03Å; R160-Q162 PolarHBondContact O-N 2.94Å; Q162-E167 HydrophobicContact CB-CB 4.5Å; Q162-E167 WeakPolarHBondContact CB-OE2 3.14Å; Q162-G168 PolarHBondContact NE2-O 3.3Å
163	D	98.3	Very high	98.3	Very high	46 Å²	46	48.3 Å²	48.3	25%	0.246	28%	0.275	C	S	.	.			trans	-88.2	108.1	176.9	-174.8	-17.5	0	0	0	109.9	C165 K166 E167	D163-C165 PolarHBondContact O-N 3.35Å; D163-C165 WeakPolarHBondContact OD1-CB 3.41Å; D163-C165 PolarHBondContact OD1-N 3.33Å; D163-K166 HydrophobicContact CB-CB 4.29Å; D163-K166 HydrophobicContact CB-CD 4.32Å; D163-K166 HydrophobicContact CB-CG 4.44Å; D163-K166 PolarHBondContact O-N 2.91Å; D163-K166 VanDerWaalsContact O-N 3.12Å; D163-K166 VanDerWaalsContact OD2-CD 3.27Å; D163-K166 WeakPolarHBondContact OD2-CD 3.43Å; D163-K166 WeakPolarHBondContact OD2-CE 3.48Å; D163-K166 IonicContact OD2-NZ 2.7Å; D163-K166 PolarHBondContact OD2-NZ 2.87Å; D163-E167 PolarHBondContact N-OE2 2.95Å; D163-E167 WeakPolarHBondContact O-CB 3.45Å; D163-E167 PolarHBondContact O-N 3.45Å
164	V	98.6	Very high	98.3	Very high	6 Å²	6	51 Å²	51	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-28	-177.7	71.9	0	0	0	0	112.9	S110 V134 K166 G168 F169 I182 A188 H191	S110-V164 WeakPolarHBondContact OG-CG1 3.4Å; V134-V164 HydrophobicContact CB-CB 4.42Å; V134-V164 HydrophobicContact CG1-CB 4.03Å; V164-K166 VanDerWaalsContact C-N 3.28Å; V164-K166 PolarHBondContact O-N 3.43Å; V164-G168 VanDerWaalsContact O-CA 3.23Å; V164-G168 WeakPolarHBondContact O-CA 3.45Å; V164-G168 PolarHBondContact O-N 3.22Å; V164-G168 VanDerWaalsContact O-N 3.08Å; V164-F169 HydrophobicContact CG2-CD1 4.03Å; V164-F169 HydrophobicContact CG2-CD2 4.14Å; V164-F169 HydrophobicContact CG2-CE1 3.77Å; V164-F169 HydrophobicContact CG2-CE2 3.86Å; V164-F169 HydrophobicContact CG2-CG 4.23Å; V164-F169 HydrophobicContact CG2-CZ 3.69Å; V164-I182 HydrophobicContact CG1-CD1 3.69Å; V164-I182 HydrophobicContact CG1-CG2 4.45Å; V164-A188 HydrophobicContact CG1-CB 4.26Å; V164-H191 PolarHBondContact O-CD2 2.96Å
165	C	98.3	Very high	98.4	Very high	24 Å²	24	49.3 Å²	49.3	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-74.3	-20.5	179.7	-64.7	0	0	0	0	112.6	D163 E187 H191	D163-C165 PolarHBondContact O-N 3.35Å; D163-C165 WeakPolarHBondContact OD1-CB 3.41Å; D163-C165 PolarHBondContact OD1-N 3.33Å; C165-E187 HydrophobicContact CB-CB 3.88Å; C165-H191 PolarHBondContact O-NE2 3Å
166	K	97.8	Very high	98.4	Very high	158 Å²	158	45.5 Å²	45.5	69%	0.687	26%	0.258	S	S	*	.	H	α-helix	trans	-107.6	-41.6	-179.2	-64.1	178	-172	147.6	0	112.7	D163 V164	D163-K166 HydrophobicContact CB-CB 4.29Å; D163-K166 HydrophobicContact CB-CD 4.32Å; D163-K166 HydrophobicContact CB-CG 4.44Å; D163-K166 PolarHBondContact O-N 2.91Å; D163-K166 VanDerWaalsContact O-N 3.12Å; D163-K166 VanDerWaalsContact OD2-CD 3.27Å; D163-K166 WeakPolarHBondContact OD2-CD 3.43Å; D163-K166 WeakPolarHBondContact OD2-CE 3.48Å; D163-K166 IonicContact OD2-NZ 2.7Å; D163-K166 PolarHBondContact OD2-NZ 2.87Å; V164-K166 VanDerWaalsContact C-N 3.28Å; V164-K166 PolarHBondContact O-N 3.43Å
167	E	98	Very high	98.4	Very high	119 Å²	119	45.3 Å²	45.3	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-110.1	-12.2	-168.4	-58.4	176.5	82.8	0	0	112	Q162 D163	Q162-E167 HydrophobicContact CB-CB 4.5Å; Q162-E167 WeakPolarHBondContact CB-OE2 3.14Å; D163-E167 PolarHBondContact N-OE2 2.95Å; D163-E167 WeakPolarHBondContact O-CB 3.45Å; D163-E167 PolarHBondContact O-N 3.45Å
168	G	98.3	Very high	98.4	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	-157.2	-176.3	0	0	0	0	0	113.7	Q162 V164 G170 H191	Q162-G168 PolarHBondContact NE2-O 3.3Å; V164-G168 VanDerWaalsContact O-CA 3.23Å; V164-G168 WeakPolarHBondContact O-CA 3.45Å; V164-G168 PolarHBondContact O-N 3.22Å; V164-G168 VanDerWaalsContact O-N 3.08Å; G168-G170 VanDerWaalsContact C-N 3.35Å; G168-G170 PolarHBondContact O-N 3.26Å; G168-H191 WeakPolarHBondContact CA-ND1 3.36Å
169	F	98.6	Very high	98.4	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.013	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.7	-172.5	-66.4	-84.1	0	0	0	114.7	C108 V134 R160 V164 V171 V178 L180 A192 A195	C108-F169 HydrophobicContact CB-CB 4.33Å; C108-F169 HydrophobicContact CB-CD1 3.53Å; C108-F169 HydrophobicContact CB-CD2 4.34Å; C108-F169 HydrophobicContact CB-CE1 3.79Å; C108-F169 HydrophobicContact CB-CG 3.81Å; C108-F169 HydrophobicContact CB-CZ 4.31Å; V134-F169 HydrophobicContact CG2-CD1 3.99Å; R160-F169 PolarHBondContact NH1-O 3.11Å; V164-F169 HydrophobicContact CG2-CD1 4.03Å; V164-F169 HydrophobicContact CG2-CD2 4.14Å; V164-F169 HydrophobicContact CG2-CE1 3.77Å; V164-F169 HydrophobicContact CG2-CE2 3.86Å; V164-F169 HydrophobicContact CG2-CG 4.23Å; V164-F169 HydrophobicContact CG2-CZ 3.69Å; F169-V171 HydrophobicContact CB-CG2 4.05Å; F169-V171 PolarHBondContact O-N 3.16Å; F169-V178 HydrophobicContact CE1-CG1 4.26Å; F169-V178 HydrophobicContact CE2-CG1 3.89Å; 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 4.2Å; F169-A195 HydrophobicContact CB-CB 4.22Å; F169-A195 HydrophobicContact CD2-CB 3.81Å; F169-A195 HydrophobicContact CG-CB 4.29Å
170	G	97.7	Very high	98.4	Very high	44 Å²	44	40.7 Å²	40.7	45%	0.454	23%	0.228	S	C	.	.	S	Bend	trans	68.1	15.1	-172.9	0	0	0	0	0	114.1	G168	G168-G170 VanDerWaalsContact C-N 3.35Å; G168-G170 PolarHBondContact O-N 3.26Å
171	V	98.3	Very high	98.4	Very high	26 Å²	26	40.7 Å²	40.7	16%	0.158	23%	0.232	C	C	.	.			trans	-142.7	153.9	175.1	-62.9	0	0	0	0	110.2	C108 H132 F169 V174 A195	C108-V171 VanDerWaalsContact SG-CG2 3.54Å; H132-V171 HydrophobicContact CB-CG2 4.4Å; F169-V171 HydrophobicContact CB-CG2 4.05Å; F169-V171 PolarHBondContact O-N 3.16Å; V171-V174 HydrophobicContact CB-CG2 3.64Å; V171-V174 HydrophobicContact CG1-CG2 4.35Å; V171-V174 HydrophobicContact CG2-CG2 3.7Å; V171-A195 HydrophobicContact CG2-CB 4.38Å
172	T	98.3	Very high	98.4	Very high	112 Å²	112	38 Å²	38	69%	0.687	22%	0.218	S	C	*	.			trans	-139.1	130.7	-176.3	-56.5	0	0	0	0	110.1	V174 N194	T172-V174 VanDerWaalsContact C-N 3.3Å; T172-V174 PolarHBondContact O-N 3.08Å; T172-N194 CarbonylContact C-O 3.51Å; T172-N194 WeakPolarHBondContact CA-O 3.39Å; T172-N194 WeakPolarHBondContact CG2-O 3.38Å
173	G	98.2	Very high	98.4	Very high	34 Å²	34	40.8 Å²	40.8	35%	0.351	24%	0.239	S	C	.	.	S	Bend	trans	71	18.1	171.9	0	0	0	0	0	115.7	N194 A195 M196	G173-N194 PolarHBondContact N-O 3.49Å; G173-A195 PolarHBondContact N-O 3.22Å; G173-A195 VanDerWaalsContact N-O 3.13Å; G173-M196 WeakPolarHBondContact CA-O 3.44Å
174	V	98.5	Very high	98.4	Very high	57 Å²	57	40.2 Å²	40.2	35%	0.345	24%	0.239	S	C	.	.			trans	-117.1	-23.7	-173.1	-60.6	0	0	0	0	114.4	V106 V171 T172 A195 K197	V106-V174 WeakPolarHBondContact CB-O 3.42Å; V106-V174 HydrophobicContact CG1-CG2 4.23Å; V171-V174 HydrophobicContact CB-CG2 3.64Å; V171-V174 HydrophobicContact CG1-CG2 4.35Å; V171-V174 HydrophobicContact CG2-CG2 3.7Å; T172-V174 VanDerWaalsContact C-N 3.3Å; T172-V174 PolarHBondContact O-N 3.08Å; V174-A195 PolarHBondContact N-O 2.84Å; V174-K197 WeakPolarHBondContact O-CE 3.29Å
175	A	98.8	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-81.7	137.3	-172.5	0	0	0	0	0	112.2	V106 C108 A195 M196 K197	V106-A175 CarbonylContact O-C 3.55Å; V106-A175 WeakPolarHBondContact O-CA 3.48Å; C108-A175 HydrophobicContact CB-CB 4.35Å; A175-A195 PolarHBondContact N-O 3.34Å; A175-M196 HydrophobicContact CB-CG 4.45Å; A175-M196 CarbonylContact O-C 3.25Å; A175-M196 VanDerWaalsContact O-CA 3.25Å; A175-M196 WeakPolarHBondContact O-CA 3.44Å; A175-K197 PolarHBondContact O-N 3.08Å
176	D	98.8	Very high	98.4	Very high	47 Å²	47	41.5 Å²	41.5	25%	0.251	24%	0.24	S	C	.	.	S	Bend	trans	-81.8	-33.9	166.7	-62.3	-66.9	0	0	0	111	V106 K197 G201 R202	V106-D176 PolarHBondContact N-OD2 3.2Å; V106-D176 PolarHBondContact O-N 3.36Å; D176-K197 WeakPolarHBondContact OD1-CD 3.18Å; D176-K197 WeakPolarHBondContact OD1-CE 3.47Å; D176-K197 IonicContact OD1-NZ 3.64Å; D176-K197 PolarHBondContact OD1-NZ 2.89Å; D176-K197 IonicContact OD2-NZ 3.98Å; D176-K197 PolarHBondContact OD2-NZ 2.95Å; D176-G201 CarbonylContact O-C 3.59Å; D176-G201 WeakPolarHBondContact O-CA 3.3Å; D176-R202 PolarHBondContact O-N 3.28Å
177	A	98.9	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.9	-178.8	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 4.43Å; L99-A177 HydrophobicContact CD2-CB 4.27Å; L101-A177 HydrophobicContact CD2-CB 3.55Å; V106-A177 PolarHBondContact O-N 3.2Å; V107-A177 WeakPolarHBondContact CA-O 3.46Å; V107-A177 HydrophobicContact CG1-CB 4.4Å; V107-A177 HydrophobicContact CG2-CB 4.47Å; C108-A177 PolarHBondContact N-O 2.76Å; A177-R202 CarbonylContact C-O 3.55Å; A177-R202 WeakPolarHBondContact CA-O 3.29Å
178	V	98.9	Very high	98.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.8	172.4	-177.9	0	0	0	0	109.9	C108 F169 L180 A192 M196 R202 V203 C204	C108-V178 HydrophobicContact CB-CG1 4.38Å; C108-V178 HydrophobicContact CB-CG2 4.09Å; C108-V178 CarbonylContact O-C 3.54Å; C108-V178 VanDerWaalsContact O-CA 3.3Å; C108-V178 WeakPolarHBondContact O-CA 3.42Å; F169-V178 HydrophobicContact CE1-CG1 4.26Å; F169-V178 HydrophobicContact CE2-CG1 3.89Å; F169-V178 HydrophobicContact CZ-CG1 3.48Å; F169-V178 VanDerWaalsContact CZ-CG1 3.48Å; V178-L180 HydrophobicContact CG1-CD2 4.45Å; V178-L180 HydrophobicContact CG1-CG 4.32Å; V178-A192 HydrophobicContact CB-CB 4.15Å; V178-A192 HydrophobicContact CG1-CB 3.69Å; V178-A192 HydrophobicContact CG2-CB 4.1Å; V178-M196 HydrophobicContact CG2-CG 3.49Å; V178-M196 VanDerWaalsContact CG2-CG 3.49Å; V178-M196 HydrophobicContact CG2-SD 3.83Å; V178-R202 PolarHBondContact N-O 2.98Å; V178-V203 HydrophobicContact CB-CB 4.42Å; V178-V203 HydrophobicContact CB-CG2 4.06Å; V178-V203 HydrophobicContact CG1-CG2 4.34Å; V178-V203 CarbonylContact O-C 3.59Å; V178-V203 VanDerWaalsContact O-CA 3.3Å; V178-V203 WeakPolarHBondContact O-CA 3.28Å; V178-C204 PolarHBondContact O-N 3.34Å
179	F	98.9	Very high	98.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.2	171.9	-179.3	-94.6	0	0	0	111.3	L87 I95 L99 C108 E109 S110 L117 D181 C204 F206	L87-F179 HydrophobicContact CD1-CE1 4.05Å; L87-F179 HydrophobicContact CD1-CE2 4.22Å; L87-F179 HydrophobicContact CD1-CZ 3.48Å; L87-F179 VanDerWaalsContact CD1-CZ 3.48Å; I95-F179 HydrophobicContact CD1-CD2 4.29Å; I95-F179 HydrophobicContact CD1-CE2 3.5Å; I95-F179 HydrophobicContact CD1-CZ 4.01Å; I95-F179 HydrophobicContact CG1-CD2 4.45Å; I95-F179 HydrophobicContact CG1-CE2 3.98Å; I95-F179 HydrophobicContact CG2-CD2 3.7Å; I95-F179 HydrophobicContact CG2-CE2 4.04Å; L99-F179 HydrophobicContact CD1-CB 4.15Å; L99-F179 HydrophobicContact CD1-CD2 4.43Å; C108-F179 PolarHBondContact O-N 3.45Å; E109-F179 WeakPolarHBondContact CA-O 3.32Å; E109-F179 HydrophobicContact CG-CD1 4.26Å; S110-F179 PolarHBondContact N-O 2.93Å; L117-F179 HydrophobicContact CD2-CB 4.33Å; L117-F179 HydrophobicContact CD2-CD1 3.12Å; L117-F179 HydrophobicContact CD2-CD2 3.94Å; L117-F179 HydrophobicContact CD2-CE1 3.21Å; L117-F179 HydrophobicContact CD2-CE2 4.06Å; L117-F179 HydrophobicContact CD2-CG 3.5Å; L117-F179 HydrophobicContact CD2-CZ 3.74Å; F179-D181 HydrophobicContact CD1-CB 4.46Å; F179-D181 HydrophobicContact CE1-CB 3.45Å; F179-D181 VanDerWaalsContact CE1-CB 3.45Å; F179-D181 HydrophobicContact CZ-CB 3.88Å; F179-C204 CarbonylContact C-O 3.59Å; F179-C204 VanDerWaalsContact CA-O 3.32Å; F179-C204 WeakPolarHBondContact CA-O 3.4Å; F179-C204 HydrophobicContact CD2-CB 3.93Å; F179-C204 HydrophobicContact CE2-CB 4.48Å; F179-F206 HydrophobicContact CE2-CB 4.28Å; F179-F206 HydrophobicContact CZ-CB 3.87Å
180	L	98.9	Very high	98.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	111	-179.1	-65.8	175.2	0	0	0	111.8	S110 F169 V178 I182 P185 A188 C204 S205 F206	S110-L180 CarbonylContact O-C 3.53Å; S110-L180 WeakPolarHBondContact O-CA 3.19Å; F169-L180 HydrophobicContact CZ-CD2 3.76Å; V178-L180 HydrophobicContact CG1-CD2 4.45Å; V178-L180 HydrophobicContact CG1-CG 4.32Å; L180-I182 HydrophobicContact CD2-CD1 4.33Å; L180-P185 HydrophobicContact CB-CB 4.16Å; L180-P185 HydrophobicContact CD1-CB 4.16Å; L180-A188 HydrophobicContact CD1-CB 4.18Å; L180-A188 HydrophobicContact CD2-CB 3.92Å; L180-C204 PolarHBondContact N-O 2.94Å; L180-S205 CarbonylContact O-C 3.58Å; L180-S205 VanDerWaalsContact O-CA 3.29Å; L180-S205 WeakPolarHBondContact O-CA 3.47Å; L180-F206 PolarHBondContact O-N 2.9Å
181	D	98.5	Very high	98.6	Very high	54 Å²	54	39.1 Å²	39.1	29%	0.289	22%	0.217	S	C	.	.			trans	-124.1	79.9	166.6	178.9	16.7	0	0	0	108.5	S110 G111 F179 F206	S110-D181 PolarHBondContact O-N 3.43Å; G111-D181 PolarHBondContact N-O 3.21Å; F179-D181 HydrophobicContact CD1-CB 4.46Å; F179-D181 HydrophobicContact CE1-CB 3.45Å; F179-D181 VanDerWaalsContact CE1-CB 3.45Å; F179-D181 HydrophobicContact CZ-CB 3.88Å; D181-F206 HydrophobicContact CB-CB 4.44Å; D181-F206 WeakPolarHBondContact OD1-CD1 3.47Å
182	I	98.4	Very high	98.6	Very high	23 Å²	23	37.9 Å²	37.9	12%	0.118	21%	0.21	C	C	.	.	S	Bend	trans	-141	159.7	180	52.6	169.7	0	0	0	109.5	V164 L180 S184 P185 A188	V164-I182 HydrophobicContact CG1-CD1 3.69Å; V164-I182 HydrophobicContact CG1-CG2 4.45Å; L180-I182 HydrophobicContact CD2-CD1 4.33Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 3.34Å; I182-P185 HydrophobicContact CG1-CB 4.14Å; I182-P185 VanDerWaalsContact O-CD 3.32Å; I182-P185 WeakPolarHBondContact O-CD 3.44Å; I182-A188 HydrophobicContact CD1-CB 3.87Å
183	P	97.6	Very high	98.6	Very high	98 Å²	98	35.3 Å²	35.3	64%	0.636	19%	0.189	S	C	*	.	S	Bend	trans	-64.1	-30.3	-178.5	-25.5	35.8	0	0	0	115.3	P185 W186 Q212	P183-P185 VanDerWaalsContact C-CD 3.47Å; P183-P185 WeakPolarHBondContact O-CD 3.42Å; P183-W186 WeakPolarHBondContact O-CH2 3.34Å; P183-Q212 PolarHBondContact O-NE2 3.26Å
184	S	98.4	Very high	98.6	Very high	35 Å²	35	37.4 Å²	37.4	25%	0.245	19%	0.192	C	C	.	.			trans	-124.6	64.1	-177.3	-57.9	0	0	0	0	112.3	I182 W186 E187	I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 3.34Å; S184-W186 VanDerWaalsContact C-N 3.25Å; S184-W186 PolarHBondContact O-N 3.3Å; S184-E187 PolarHBondContact O-N 2.77Å
185	P	98.6	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-29.2	-173.6	14.5	-15.6	0	0	0	113.6	L180 I182 P183 E187 A188 V189 S205 T216	L180-P185 HydrophobicContact CB-CB 4.16Å; L180-P185 HydrophobicContact CD1-CB 4.16Å; I182-P185 HydrophobicContact CG1-CB 4.14Å; I182-P185 VanDerWaalsContact O-CD 3.32Å; I182-P185 WeakPolarHBondContact O-CD 3.44Å; P183-P185 VanDerWaalsContact C-CD 3.47Å; P183-P185 WeakPolarHBondContact O-CD 3.42Å; P185-E187 PolarHBondContact O-N 3.16Å; P185-A188 PolarHBondContact O-N 3.3Å; P185-V189 PolarHBondContact O-N 2.76Å; P185-S205 WeakPolarHBondContact CB-OG 3.46Å; P185-S205 WeakPolarHBondContact CG-OG 3.28Å; P185-T216 WeakPolarHBondContact CG-OG1 3.12Å
186	W	98.8	Very high	98.6	Very high	56 Å²	56	34.8 Å²	34.8	21%	0.212	18%	0.176	C	C	.	.	H	α-helix	trans	-57.1	-31.5	176	55.2	85.3	0	0	0	113.5	P183 S184 A188 Q212 K215 A219	P183-W186 WeakPolarHBondContact O-CH2 3.34Å; S184-W186 VanDerWaalsContact C-N 3.25Å; S184-W186 PolarHBondContact O-N 3.3Å; W186-A188 VanDerWaalsContact C-N 3.31Å; W186-A188 PolarHBondContact O-N 2.87Å; W186-Q212 HydrophobicContact CH2-CB 4.49Å; W186-Q212 HydrophobicContact CH2-CG 4.09Å; W186-Q212 HydrophobicContact CZ3-CB 3.68Å; W186-Q212 HydrophobicContact CZ3-CG 3.75Å; W186-K215 HydrophobicContact CB-CB 4.04Å; W186-K215 WeakPolarHBondContact CB-O 3.36Å; W186-K215 HydrophobicContact CD2-CB 3.6Å; W186-K215 HydrophobicContact CD2-CD 3.83Å; W186-K215 HydrophobicContact CD2-CG 4.38Å; W186-K215 HydrophobicContact CE3-CB 3.53Å; W186-K215 HydrophobicContact CE3-CD 3.96Å; W186-K215 HydrophobicContact CE3-CG 4.41Å; W186-K215 HydrophobicContact CG-CB 3.83Å; W186-K215 HydrophobicContact CH2-CD 3.99Å; W186-K215 HydrophobicContact CZ2-CD 3.85Å; W186-K215 HydrophobicContact CZ3-CB 4.27Å; W186-K215 HydrophobicContact CZ3-CD 4.05Å; W186-A219 HydrophobicContact CB-CB 3.9Å
187	E	98.8	Very high	98.6	Very high	105 Å²	105	35.4 Å²	35.4	49%	0.491	18%	0.177	S	C	.	.	H	α-helix	trans	-73.2	-24.5	177.2	-68.9	171.2	-152	0	0	112.5	C165 S184 P185	C165-E187 HydrophobicContact CB-CB 3.88Å; S184-E187 PolarHBondContact O-N 2.77Å; P185-E187 PolarHBondContact O-N 3.16Å
188	A	98.7	Very high	98.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-91.9	-8.1	-179.1	0	0	0	0	0	113.6	V164 L180 I182 P185 W186 K190 H191 A192	V164-A188 HydrophobicContact CG1-CB 4.26Å; L180-A188 HydrophobicContact CD1-CB 4.18Å; L180-A188 HydrophobicContact CD2-CB 3.92Å; I182-A188 HydrophobicContact CD1-CB 3.87Å; P185-A188 PolarHBondContact O-N 3.3Å; W186-A188 VanDerWaalsContact C-N 3.31Å; W186-A188 PolarHBondContact O-N 2.87Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.44Å; A188-H191 CarbonylContact O-C 3.6Å; A188-H191 WeakPolarHBondContact O-CA 3.38Å; A188-H191 WeakPolarHBondContact O-CB 3.26Å; A188-H191 PolarHBondContact O-N 3.22Å; A188-A192 PolarHBondContact O-N 3.15Å
189	V	98.8	Very high	98.3	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-43.8	-175	171.9	0	0	0	0	112.3	P185 H191 A192 K193 A219 L220 E223 F225	P185-V189 PolarHBondContact O-N 2.76Å; V189-H191 VanDerWaalsContact C-N 3.32Å; V189-H191 PolarHBondContact O-N 3.47Å; V189-A192 WeakPolarHBondContact O-CB 3.28Å; V189-A192 PolarHBondContact O-N 2.98Å; V189-K193 PolarHBondContact O-N 3.43Å; V189-A219 HydrophobicContact CB-CB 4.18Å; V189-A219 HydrophobicContact CG2-CB 3.94Å; V189-L220 HydrophobicContact CG1-CD2 3.83Å; V189-L220 HydrophobicContact CG1-CG 4.27Å; V189-L220 HydrophobicContact CG2-CD2 4.26Å; V189-L220 HydrophobicContact CG2-CG 4.24Å; V189-E223 HydrophobicContact CG1-CB 3.99Å; V189-E223 HydrophobicContact CG1-CG 4.04Å; V189-F225 HydrophobicContact CG1-CD2 4.2Å; V189-F225 HydrophobicContact CG1-CE2 3.76Å
190	K	98.6	Very high	98.2	Very high	121 Å²	121	52.3 Å²	52.3	53%	0.526	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-41.2	176.3	-175.3	173	-175.8	171.2	0	111.9	A188 K193 N194 E223	A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.44Å; K190-K193 PolarHBondContact O-N 2.73Å; K190-N194 VanDerWaalsContact O-CG 3.22Å; K190-N194 PolarHBondContact O-N 3.45Å; K190-N194 PolarHBondContact O-ND2 2.85Å; K190-E223 HydrophobicContact CB-CG 4.42Å; K190-E223 WeakPolarHBondContact CG-OE1 3.38Å
191	H	98.8	Very high	98.1	Very high	48 Å²	48	53.1 Å²	53.1	22%	0.222	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-36.4	175.7	-68.8	-73.1	0	0	0	112.2	V164 C165 G168 A188 V189 N194 A195	V164-H191 PolarHBondContact O-CD2 2.96Å; C165-H191 PolarHBondContact O-NE2 3Å; G168-H191 WeakPolarHBondContact CA-ND1 3.36Å; A188-H191 CarbonylContact O-C 3.6Å; A188-H191 WeakPolarHBondContact O-CA 3.38Å; A188-H191 WeakPolarHBondContact O-CB 3.26Å; A188-H191 PolarHBondContact O-N 3.22Å; V189-H191 VanDerWaalsContact C-N 3.32Å; V189-H191 PolarHBondContact O-N 3.47Å; H191-N194 PolarHBondContact O-N 3.24Å; H191-A195 WeakPolarHBondContact O-CB 3.39Å; H191-A195 PolarHBondContact O-N 2.86Å
192	A	98.7	Very high	98.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-51.3	172.7	0	0	0	0	0	110.9	F169 V178 A188 V189 N194 A195 M196 V203	F169-A192 HydrophobicContact CE2-CB 4.2Å; V178-A192 HydrophobicContact CB-CB 4.15Å; V178-A192 HydrophobicContact CG1-CB 3.69Å; V178-A192 HydrophobicContact CG2-CB 4.1Å; A188-A192 PolarHBondContact O-N 3.15Å; V189-A192 WeakPolarHBondContact O-CB 3.28Å; V189-A192 PolarHBondContact O-N 2.98Å; A192-N194 VanDerWaalsContact C-N 3.27Å; A192-N194 PolarHBondContact O-N 3.23Å; A192-A195 PolarHBondContact O-N 3.14Å; A192-A195 VanDerWaalsContact O-N 3.13Å; A192-M196 VanDerWaalsContact O-CG 3.23Å; A192-M196 WeakPolarHBondContact O-CG 3.07Å; A192-M196 PolarHBondContact O-N 3.22Å; A192-M196 VanDerWaalsContact O-N 3.14Å; A192-V203 HydrophobicContact CB-CG2 4.47Å
193	K	98.4	Very high	98.1	Very high	58 Å²	58	50.3 Å²	50.3	25%	0.252	24%	0.243	S	C	.	.	H	α-helix	trans	-57.2	-40.3	177.2	-174.5	176.1	168.7	-171.6	0	112.7	V189 K190 M196 E223 F225 K293	V189-K193 PolarHBondContact O-N 3.43Å; K190-K193 PolarHBondContact O-N 2.73Å; K193-M196 PolarHBondContact O-N 3.08Å; K193-E223 HydrophobicContact CD-CB 4.1Å; K193-E223 WeakPolarHBondContact CD-O 3.4Å; K193-E223 WeakPolarHBondContact CD-OE2 3.37Å; K193-E223 VanDerWaalsContact CE-O 3.27Å; K193-E223 WeakPolarHBondContact CE-O 3.4Å; K193-E223 PolarHBondContact NZ-O 2.84Å; K193-E223 IonicContact NZ-OE2 2.71Å; K193-E223 PolarHBondContact NZ-OE2 2.81Å; K193-F225 HydrophobicContact CB-CE2 3.84Å; K193-F225 HydrophobicContact CB-CZ 3.84Å; K193-F225 HydrophobicContact CD-CE2 4.26Å; K193-F225 HydrophobicContact CG-CE2 4.3Å; K193-F225 HydrophobicContact CG-CZ 4.37Å; K193-K293 HydrophobicContact CG-CD 4.22Å; K193-K293 PolarHBondContact O-NZ 3.27Å
194	N	98.2	Very high	98.2	Very high	77 Å²	77	45.6 Å²	45.6	41%	0.412	21%	0.213	S	C	.	.	H	α-helix	trans	-67.9	-38.6	177.6	-70.7	-21.7	0	0	0	112.6	T172 G173 K190 H191 A192 M196	T172-N194 CarbonylContact C-O 3.51Å; T172-N194 WeakPolarHBondContact CA-O 3.39Å; T172-N194 WeakPolarHBondContact CG2-O 3.38Å; G173-N194 PolarHBondContact N-O 3.49Å; K190-N194 VanDerWaalsContact O-CG 3.22Å; K190-N194 PolarHBondContact O-N 3.45Å; K190-N194 PolarHBondContact O-ND2 2.85Å; H191-N194 PolarHBondContact O-N 3.24Å; A192-N194 VanDerWaalsContact C-N 3.27Å; A192-N194 PolarHBondContact O-N 3.23Å; N194-M196 VanDerWaalsContact C-N 3.27Å; N194-M196 PolarHBondContact O-N 2.91Å
195	A	98.6	Very high	98.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-31.7	177.2	0	0	0	0	0	112.3	F169 V171 G173 V174 A175 H191 A192	F169-A195 HydrophobicContact CB-CB 4.22Å; F169-A195 HydrophobicContact CD2-CB 3.81Å; F169-A195 HydrophobicContact CG-CB 4.29Å; V171-A195 HydrophobicContact CG2-CB 4.38Å; G173-A195 PolarHBondContact N-O 3.22Å; G173-A195 VanDerWaalsContact N-O 3.13Å; V174-A195 PolarHBondContact N-O 2.84Å; A175-A195 PolarHBondContact N-O 3.34Å; H191-A195 WeakPolarHBondContact O-CB 3.39Å; H191-A195 PolarHBondContact O-N 2.86Å; A192-A195 PolarHBondContact O-N 3.14Å; A192-A195 VanDerWaalsContact O-N 3.13Å
196	M	98.6	Very high	98.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-75	147.6	-176.1	-65.9	165	85.2	0	0	113.8	G173 A175 V178 A192 K193 N194 G201 R202 F225 K293	G173-M196 WeakPolarHBondContact CA-O 3.44Å; A175-M196 HydrophobicContact CB-CG 4.45Å; A175-M196 CarbonylContact O-C 3.25Å; A175-M196 VanDerWaalsContact O-CA 3.25Å; A175-M196 WeakPolarHBondContact O-CA 3.44Å; V178-M196 HydrophobicContact CG2-CG 3.49Å; V178-M196 VanDerWaalsContact CG2-CG 3.49Å; V178-M196 HydrophobicContact CG2-SD 3.83Å; A192-M196 VanDerWaalsContact O-CG 3.23Å; A192-M196 WeakPolarHBondContact O-CG 3.07Å; A192-M196 PolarHBondContact O-N 3.22Å; A192-M196 VanDerWaalsContact O-N 3.14Å; K193-M196 PolarHBondContact O-N 3.08Å; N194-M196 VanDerWaalsContact C-N 3.27Å; N194-M196 PolarHBondContact O-N 2.91Å; M196-G201 VanDerWaalsContact CE-O 3.26Å; M196-G201 WeakPolarHBondContact CE-O 3.36Å; M196-R202 WeakPolarHBondContact CE-O 3.43Å; M196-F225 HydrophobicContact CE-CE1 4.4Å; M196-F225 HydrophobicContact SD-CE1 3.99Å; M196-F225 HydrophobicContact SD-CZ 4.17Å; M196-K293 HydrophobicContact CB-CD 3.69Å; M196-K293 HydrophobicContact CE-CB 3.76Å; M196-K293 HydrophobicContact CE-CD 4.43Å; M196-K293 PolarHBondContact O-NZ 3.13Å; M196-K293 HydrophobicContact SD-CB 4.22Å; M196-K293 HydrophobicContact SD-CD 4.22Å
197	K	98.3	Very high	98.2	Very high	60 Å²	60	42.4 Å²	42.4	26%	0.261	20%	0.196	S	C	.	.			trans	-52.1	156.6	174.2	-74.9	172.2	179.8	164.6	0	112.6	V174 A175 D176 Q199 G200 K293	V174-K197 WeakPolarHBondContact O-CE 3.29Å; A175-K197 PolarHBondContact O-N 3.08Å; D176-K197 WeakPolarHBondContact OD1-CD 3.18Å; D176-K197 WeakPolarHBondContact OD1-CE 3.47Å; D176-K197 IonicContact OD1-NZ 3.64Å; D176-K197 PolarHBondContact OD1-NZ 2.89Å; D176-K197 IonicContact OD2-NZ 3.98Å; D176-K197 PolarHBondContact OD2-NZ 2.95Å; K197-Q199 VanDerWaalsContact C-N 3.31Å; K197-G200 PolarHBondContact O-N 2.91Å; K197-K293 WeakPolarHBondContact O-CE 3.12Å; K197-K293 PolarHBondContact O-NZ 3.24Å
198	R	96.1	Very high	98.2	Very high	196 Å²	196	40.5 Å²	40.5	74%	0.74	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-30	177.3	-70.6	-172	179	172.2	-0	112.3	G200 S295 V296	R198-G200 PolarHBondContact O-N 3.06Å; R198-G200 VanDerWaalsContact O-N 3.17Å; R198-S295 WeakPolarHBondContact O-CA 3.34Å; R198-V296 PolarHBondContact O-N 2.83Å; R198-V296 VanDerWaalsContact O-N 3.09Å
199	Q	95.7	Very high	98.1	Very high	150 Å²	150	43.2 Å²	43.2	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-8.7	178	-62	78.1	9.8	0	0	113	K197 S295	K197-Q199 VanDerWaalsContact C-N 3.31Å; Q199-S295 WeakPolarHBondContact O-CB 3.48Å
200	G	96	Very high	98.1	Very high	12 Å²	12	46.5 Å²	46.5	12%	0.124	23%	0.228	C	C	.	.			trans	115.2	-172.3	-179.9	0	0	0	0	0	112.5	K197 R198 K293	K197-G200 PolarHBondContact O-N 2.91Å; R198-G200 PolarHBondContact O-N 3.06Å; R198-G200 VanDerWaalsContact O-N 3.17Å; G200-K293 WeakPolarHBondContact CA-O 3.46Å
201	G	97.8	Very high	98.1	Very high	17 Å²	17	46 Å²	46	18%	0.175	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166	-178.1	175	0	0	0	0	0	112.2	D176 M196 K293	D176-G201 CarbonylContact O-C 3.59Å; D176-G201 WeakPolarHBondContact O-CA 3.3Å; M196-G201 VanDerWaalsContact CE-O 3.26Å; M196-G201 WeakPolarHBondContact CE-O 3.36Å; G201-K293 PolarHBondContact N-O 2.81Å; G201-K293 PolarHBondContact O-N 3.17Å
202	R	98.8	Very high	98.1	Very high	15 Å²	15	45.2 Å²	45.2	6%	0.057	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.5	-178.3	-64	-71.3	-67.3	166.4	-6.5	112	M98 L99 E100 D176 A177 V178 M196 E227 T292	M98-R202 PolarHBondContact O-NE 2.76Å; M98-R202 PolarHBondContact O-NH2 3.43Å; L99-R202 HydrophobicContact CD2-CB 3.8Å; E100-R202 HydrophobicContact CG-CG 4.29Å; D176-R202 PolarHBondContact O-N 3.28Å; A177-R202 CarbonylContact C-O 3.55Å; A177-R202 WeakPolarHBondContact CA-O 3.29Å; V178-R202 PolarHBondContact N-O 2.98Å; M196-R202 WeakPolarHBondContact CE-O 3.43Å; R202-E227 IonicContact NH1-OE2 3.05Å; R202-E227 PolarHBondContact NH1-OE2 3.07Å; R202-T292 PolarHBondContact NH1-OG1 3.42Å
203	V	98.9	Very high	98.1	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.6	170.3	62.2	0	0	0	0	109.8	V178 A192 L220 F225 F290 A291	V178-V203 HydrophobicContact CB-CB 4.42Å; V178-V203 HydrophobicContact CB-CG2 4.06Å; V178-V203 HydrophobicContact CG1-CG2 4.34Å; V178-V203 CarbonylContact O-C 3.59Å; V178-V203 VanDerWaalsContact O-CA 3.3Å; V178-V203 WeakPolarHBondContact O-CA 3.28Å; A192-V203 HydrophobicContact CB-CG2 4.47Å; V203-L220 HydrophobicContact CG1-CD2 3.7Å; V203-F225 HydrophobicContact CB-CE1 4.08Å; V203-F225 HydrophobicContact CG1-CD1 3.65Å; V203-F225 HydrophobicContact CG1-CE1 3.41Å; V203-F225 VanDerWaalsContact CG1-CE1 3.41Å; V203-F225 HydrophobicContact CG1-CZ 4.14Å; V203-F290 CarbonylContact O-C 3.51Å; V203-F290 VanDerWaalsContact O-CA 3.26Å; V203-F290 WeakPolarHBondContact O-CA 3.44Å; V203-A291 HydrophobicContact CG1-CB 3.78Å; V203-A291 PolarHBondContact N-O 3.21Å; V203-A291 PolarHBondContact O-N 3.29Å
204	C	98.9	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.1	172.6	176.5	0	0	0	0	108.9	L99 V178 F179 L180 T289 F290	L99-C204 HydrophobicContact CD1-CB 4.04Å; L99-C204 HydrophobicContact CD2-CB 3.56Å; L99-C204 HydrophobicContact CG-CB 3.87Å; V178-C204 PolarHBondContact O-N 3.34Å; F179-C204 CarbonylContact C-O 3.59Å; F179-C204 VanDerWaalsContact CA-O 3.32Å; F179-C204 WeakPolarHBondContact CA-O 3.4Å; F179-C204 HydrophobicContact CD2-CB 3.93Å; F179-C204 HydrophobicContact CE2-CB 4.48Å; L180-C204 PolarHBondContact N-O 2.94Å; C204-T289 CarbonylContact C-O 3.55Å; C204-T289 VanDerWaalsContact CA-O 3.28Å; C204-T289 WeakPolarHBondContact CA-O 3.49Å; C204-F290 HydrophobicContact CB-CD1 3.62Å; C204-F290 HydrophobicContact CB-CE1 3.53Å; C204-F290 HydrophobicContact CB-CZ 4.45Å; C204-F290 WeakPolarHBondContact SG-CE1 3.28Å
205	S	98.9	Very high	98.2	Very high	3 Å²	3	49 Å²	49	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135	168.1	178.8	0	0	0	0	110.4	L180 P185 L288 T289	L180-S205 CarbonylContact O-C 3.58Å; L180-S205 VanDerWaalsContact O-CA 3.29Å; L180-S205 WeakPolarHBondContact O-CA 3.47Å; P185-S205 WeakPolarHBondContact CB-OG 3.46Å; P185-S205 WeakPolarHBondContact CG-OG 3.28Å; S205-L288 CarbonylContact O-C 3.58Å; S205-L288 WeakPolarHBondContact O-CA 3.09Å; S205-T289 PolarHBondContact N-O 2.79Å; S205-T289 PolarHBondContact O-N 3.34Å
206	F	98.8	Very high	98.2	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.088	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	136	168.4	175.9	-97.6	0	0	0	109.8	L87 F179 L180 D181 T285 G286 Y287 L288	L87-F206 HydrophobicContact CD2-CD1 4.18Å; L87-F206 HydrophobicContact CD2-CD2 3.59Å; L87-F206 HydrophobicContact CD2-CE1 4.17Å; L87-F206 HydrophobicContact CD2-CE2 3.56Å; L87-F206 HydrophobicContact CD2-CG 3.89Å; L87-F206 HydrophobicContact CD2-CZ 3.86Å; F179-F206 HydrophobicContact CE2-CB 4.28Å; F179-F206 HydrophobicContact CZ-CB 3.87Å; L180-F206 PolarHBondContact O-N 2.9Å; D181-F206 HydrophobicContact CB-CB 4.44Å; D181-F206 WeakPolarHBondContact OD1-CD1 3.47Å; F206-T285 WeakPolarHBondContact CZ-O 3.49Å; F206-G286 VanDerWaalsContact CE2-CA 3.42Å; F206-Y287 CarbonylContact C-O 3.57Å; F206-Y287 WeakPolarHBondContact CA-O 3.34Å; F206-L288 HydrophobicContact CB-CD2 4.06Å; F206-L288 HydrophobicContact CD2-CD2 3.74Å; F206-L288 HydrophobicContact CG-CD2 4.4Å
207	S	98.6	Very high	98.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	129.3	176.7	-73.1	0	0	0	0	111.7	Y287	S207-Y287 PolarHBondContact N-O 3.07Å; S207-Y287 WeakPolarHBondContact O-CD2 3.34Å; S207-Y287 PolarHBondContact O-N 3.24Å
208	P	97.4	Very high	98.2	Very high	64 Å²	64	54.3 Å²	54.3	42%	0.416	27%	0.268	S	S	.	.	S	Bend	trans	-74.7	-25.5	178.1	29.2	-36.2	0	0	0	113.7	H284	P208-H284 PolarHBondContact O-NE2 2.9Å
209	C	98.1	Very high	98.4	Very high	57 Å²	57	45.9 Å²	45.9	39%	0.385	24%	0.24	S	C	.	.	S	Bend	trans	-109.2	141.4	-176.1	-58.2	0	0	0	0	111.6	E211 Q212 V213	C209-E211 WeakPolarHBondContact CB-OE2 3.3Å; C209-E211 PolarHBondContact O-N 3.48Å; C209-Q212 HydrophobicContact CB-CG 4.1Å; C209-Q212 WeakPolarHBondContact O-CB 3.44Å; C209-Q212 PolarHBondContact O-N 3.21Å; C209-Q212 VanDerWaalsContact O-N 3.1Å; C209-V213 PolarHBondContact O-N 3.05Å
210	I	98.4	Very high	98.5	Very high	73 Å²	73	38.9 Å²	38.9	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-66.8	-28	-177.9	-165.1	63.5	0	0	0	112.2	Q212 V213 Q214 Y287	I210-Q212 VanDerWaalsContact C-N 3.26Å; I210-Q212 PolarHBondContact O-N 2.98Å; I210-V213 HydrophobicContact CD1-CB 4.2Å; I210-V213 HydrophobicContact CD1-CG1 4.38Å; I210-V213 HydrophobicContact CD1-CG2 4.43Å; I210-V213 WeakPolarHBondContact O-CB 3.23Å; I210-V213 PolarHBondContact O-N 3.44Å; I210-Q214 WeakPolarHBondContact O-CG 3.25Å; I210-Q214 PolarHBondContact O-N 3.23Å; I210-Y287 HydrophobicContact CB-CE2 4.26Å; I210-Y287 HydrophobicContact CD1-CD2 4.49Å; I210-Y287 HydrophobicContact CD1-CE1 4.35Å; I210-Y287 HydrophobicContact CD1-CE2 4.22Å
211	E	98.5	Very high	98.6	Very high	110 Å²	110	40.9 Å²	40.9	51%	0.514	22%	0.223	S	C	.	.	H	α-helix	trans	-67.5	-29.8	176	-57.1	83	173.2	0	0	111.8	C209 K215	C209-E211 WeakPolarHBondContact CB-OE2 3.3Å; C209-E211 PolarHBondContact O-N 3.48Å; E211-K215 WeakPolarHBondContact O-CG 3.35Å; E211-K215 PolarHBondContact O-N 3.39Å
212	Q	98.8	Very high	98.7	Very high	32 Å²	32	46.9 Å²	46.9	15%	0.15	25%	0.251	C	S	.	.	H	α-helix	trans	-73	-37.7	173.7	-63.8	174.6	-67.5	0	0	111.2	P183 W186 C209 I210 T216	P183-Q212 PolarHBondContact O-NE2 3.26Å; W186-Q212 HydrophobicContact CH2-CB 4.49Å; W186-Q212 HydrophobicContact CH2-CG 4.09Å; W186-Q212 HydrophobicContact CZ3-CB 3.68Å; W186-Q212 HydrophobicContact CZ3-CG 3.75Å; C209-Q212 HydrophobicContact CB-CG 4.1Å; C209-Q212 WeakPolarHBondContact O-CB 3.44Å; C209-Q212 PolarHBondContact O-N 3.21Å; C209-Q212 VanDerWaalsContact O-N 3.1Å; I210-Q212 VanDerWaalsContact C-N 3.26Å; I210-Q212 PolarHBondContact O-N 2.98Å; Q212-T216 WeakPolarHBondContact O-CB 3.04Å; Q212-T216 PolarHBondContact O-N 3.08Å; Q212-T216 PolarHBondContact O-OG1 2.84Å
213	V	98.9	Very high	98.6	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-49.6	173.4	174	0	0	0	0	110.4	C209 I210 K215 T216 V217 T230 Y287	C209-V213 PolarHBondContact O-N 3.05Å; I210-V213 HydrophobicContact CD1-CB 4.2Å; I210-V213 HydrophobicContact CD1-CG1 4.38Å; I210-V213 HydrophobicContact CD1-CG2 4.43Å; I210-V213 WeakPolarHBondContact O-CB 3.23Å; I210-V213 PolarHBondContact O-N 3.44Å; V213-K215 PolarHBondContact O-N 3.22Å; V213-T216 PolarHBondContact O-N 2.89Å; V213-T216 VanDerWaalsContact O-N 3.09Å; V213-V217 HydrophobicContact CG1-CG2 4.16Å; V213-V217 WeakPolarHBondContact O-CG2 3.49Å; V213-V217 PolarHBondContact O-N 3.5Å; V213-T230 HydrophobicContact CG1-CG2 3.89Å; V213-Y287 HydrophobicContact CG2-CD2 3.79Å; V213-Y287 HydrophobicContact CG2-CG 3.85Å
214	Q	98.9	Very high	98.6	Very high	107 Å²	107	50.2 Å²	50.2	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-53	-52.8	-179.8	-74.3	169.8	-25.2	0	0	111.6	I210 T216 V217 E218	I210-Q214 WeakPolarHBondContact O-CG 3.25Å; I210-Q214 PolarHBondContact O-N 3.23Å; Q214-T216 VanDerWaalsContact C-N 3.31Å; Q214-T216 PolarHBondContact O-N 3.39Å; Q214-V217 PolarHBondContact O-N 2.93Å; Q214-E218 WeakPolarHBondContact O-CG 3.15Å; Q214-E218 PolarHBondContact O-N 3.31Å
215	K	98.9	Very high	98.6	Very high	101 Å²	101	50.7 Å²	50.7	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-38.1	177.9	-68.6	176.5	-178.2	179.8	0	113	W186 E211 V213 A219	W186-K215 HydrophobicContact CB-CB 4.04Å; W186-K215 WeakPolarHBondContact CB-O 3.36Å; W186-K215 HydrophobicContact CD2-CB 3.6Å; W186-K215 HydrophobicContact CD2-CD 3.83Å; W186-K215 HydrophobicContact CD2-CG 4.38Å; W186-K215 HydrophobicContact CE3-CB 3.53Å; W186-K215 HydrophobicContact CE3-CD 3.96Å; W186-K215 HydrophobicContact CE3-CG 4.41Å; W186-K215 HydrophobicContact CG-CB 3.83Å; W186-K215 HydrophobicContact CH2-CD 3.99Å; W186-K215 HydrophobicContact CZ2-CD 3.85Å; W186-K215 HydrophobicContact CZ3-CB 4.27Å; W186-K215 HydrophobicContact CZ3-CD 4.05Å; E211-K215 WeakPolarHBondContact O-CG 3.35Å; E211-K215 PolarHBondContact O-N 3.39Å; V213-K215 PolarHBondContact O-N 3.22Å; K215-A219 WeakPolarHBondContact O-CB 3.39Å; K215-A219 PolarHBondContact O-N 3.32Å
216	T	98.9	Very high	98.6	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-67.7	-42.3	179	-59.2	0	0	0	0	111.5	P185 Q212 V213 Q214 A219 L220	P185-T216 WeakPolarHBondContact CG-OG1 3.12Å; Q212-T216 WeakPolarHBondContact O-CB 3.04Å; Q212-T216 PolarHBondContact O-N 3.08Å; Q212-T216 PolarHBondContact O-OG1 2.84Å; V213-T216 PolarHBondContact O-N 2.89Å; V213-T216 VanDerWaalsContact O-N 3.09Å; Q214-T216 VanDerWaalsContact C-N 3.31Å; Q214-T216 PolarHBondContact O-N 3.39Å; T216-A219 PolarHBondContact O-N 2.93Å; T216-L220 HydrophobicContact CG2-CD1 3.91Å; T216-L220 HydrophobicContact CG2-CG 4.35Å; T216-L220 WeakPolarHBondContact O-CB 3.2Å; T216-L220 WeakPolarHBondContact O-CG 3.3Å; T216-L220 PolarHBondContact O-N 3.04Å
217	V	98.9	Very high	98.5	Very high	47 Å²	47	61.9 Å²	61.9	29%	0.285	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-44.3	176.1	168.3	0	0	0	0	111	V213 Q214 L220 A221 I228 T289	V213-V217 HydrophobicContact CG1-CG2 4.16Å; V213-V217 WeakPolarHBondContact O-CG2 3.49Å; V213-V217 PolarHBondContact O-N 3.5Å; Q214-V217 PolarHBondContact O-N 2.93Å; V217-L220 PolarHBondContact O-N 3.5Å; V217-A221 WeakPolarHBondContact O-CB 3.21Å; V217-A221 PolarHBondContact O-N 2.79Å; V217-I228 HydrophobicContact CB-CG2 4.43Å; V217-I228 HydrophobicContact CG1-CG2 4.09Å; V217-I228 HydrophobicContact CG2-CG2 3.93Å; V217-T289 HydrophobicContact CG2-CG2 3.83Å
218	E	98.8	Very high	98.5	Very high	123 Å²	123	64.4 Å²	64.4	58%	0.575	35%	0.345	S	S	*	.	H	α-helix	trans	-58.3	-51.1	174.7	-72.1	170	-175.9	0	0	111.2	Q214 L220 A221 D222	Q214-E218 WeakPolarHBondContact O-CG 3.15Å; Q214-E218 PolarHBondContact O-N 3.31Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 3.28Å; E218-A221 PolarHBondContact O-N 2.71Å; E218-D222 PolarHBondContact O-N 3.38Å
219	A	98.9	Very high	98.6	Very high	20 Å²	20	64.2 Å²	64.2	17%	0.165	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-37	179	0	0	0	0	0	113.2	W186 V189 K215 T216 E223	W186-A219 HydrophobicContact CB-CB 3.9Å; V189-A219 HydrophobicContact CB-CB 4.18Å; V189-A219 HydrophobicContact CG2-CB 3.94Å; K215-A219 WeakPolarHBondContact O-CB 3.39Å; K215-A219 PolarHBondContact O-N 3.32Å; T216-A219 PolarHBondContact O-N 2.93Å; A219-E223 WeakPolarHBondContact O-CB 3.46Å; A219-E223 PolarHBondContact O-N 3.11Å
220	L	98.8	Very high	98.6	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-63.1	-44.8	174.2	-75.9	167.2	0	0	0	111.2	V189 V203 T216 V217 E218 E223 G224 F225 I228 T289 A291	V189-L220 HydrophobicContact CG1-CD2 3.83Å; V189-L220 HydrophobicContact CG1-CG 4.27Å; V189-L220 HydrophobicContact CG2-CD2 4.26Å; V189-L220 HydrophobicContact CG2-CG 4.24Å; V203-L220 HydrophobicContact CG1-CD2 3.7Å; T216-L220 HydrophobicContact CG2-CD1 3.91Å; T216-L220 HydrophobicContact CG2-CG 4.35Å; T216-L220 WeakPolarHBondContact O-CB 3.2Å; T216-L220 WeakPolarHBondContact O-CG 3.3Å; T216-L220 PolarHBondContact O-N 3.04Å; V217-L220 PolarHBondContact O-N 3.5Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 3.28Å; L220-E223 CarbonylContact O-C 3.57Å; L220-E223 PolarHBondContact O-N 3.47Å; L220-G224 PolarHBondContact O-N 3.08Å; L220-F225 HydrophobicContact CB-CB 4.19Å; L220-F225 HydrophobicContact CB-CD2 4.44Å; L220-F225 HydrophobicContact CD2-CB 4.16Å; L220-F225 HydrophobicContact CD2-CD1 4.07Å; L220-F225 HydrophobicContact CD2-CD2 3.62Å; L220-F225 HydrophobicContact CD2-CE1 4.37Å; L220-F225 HydrophobicContact CD2-CE2 3.93Å; L220-F225 HydrophobicContact CD2-CG 3.69Å; L220-F225 HydrophobicContact CD2-CZ 4.3Å; L220-F225 WeakPolarHBondContact O-CB 3.35Å; L220-F225 WeakPolarHBondContact O-CD2 3.41Å; L220-F225 PolarHBondContact O-N 2.8Å; L220-I228 HydrophobicContact CB-CD1 3.8Å; L220-I228 HydrophobicContact CB-CG1 4.36Å; L220-I228 HydrophobicContact CD1-CG2 4.42Å; L220-T289 HydrophobicContact CD1-CG2 4Å; L220-A291 HydrophobicContact CD1-CB 4.14Å; L220-A291 HydrophobicContact CD2-CB 4.17Å
221	A	98.6	Very high	98.6	Very high	53 Å²	53	63 Å²	63	44%	0.438	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-44.7	178	0	0	0	0	0	111.8	V217 E218 E223 G224 I228	V217-A221 WeakPolarHBondContact O-CB 3.21Å; V217-A221 PolarHBondContact O-N 2.79Å; E218-A221 PolarHBondContact O-N 2.71Å; A221-E223 VanDerWaalsContact C-N 3.28Å; A221-E223 PolarHBondContact O-N 2.85Å; A221-G224 WeakPolarHBondContact O-CA 3.48Å; A221-G224 PolarHBondContact O-N 3.37Å; A221-I228 HydrophobicContact CB-CD1 4.06Å
222	D	98.6	Very high	98.5	Very high	143 Å²	143	61.4 Å²	61.4	77%	0.765	33%	0.33	S	S	*	.	H	α-helix	trans	-62.5	-36.1	178	-73.9	-14.2	0	0	0	112.1	E218 G224	E218-D222 PolarHBondContact O-N 3.38Å; D222-G224 PolarHBondContact O-N 2.87Å
223	E	98.3	Very high	98.3	Very high	48 Å²	48	61.6 Å²	61.6	22%	0.224	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	9	173.1	-74	-66.5	167.6	0	0	113.3	V189 K190 K193 A219 L220 A221 F225	V189-E223 HydrophobicContact CG1-CB 3.99Å; V189-E223 HydrophobicContact CG1-CG 4.04Å; K190-E223 HydrophobicContact CB-CG 4.42Å; K190-E223 WeakPolarHBondContact CG-OE1 3.38Å; K193-E223 HydrophobicContact CD-CB 4.1Å; K193-E223 WeakPolarHBondContact CD-O 3.4Å; K193-E223 WeakPolarHBondContact CD-OE2 3.37Å; K193-E223 VanDerWaalsContact CE-O 3.27Å; K193-E223 WeakPolarHBondContact CE-O 3.4Å; K193-E223 PolarHBondContact NZ-O 2.84Å; K193-E223 IonicContact NZ-OE2 2.71Å; K193-E223 PolarHBondContact NZ-OE2 2.81Å; A219-E223 WeakPolarHBondContact O-CB 3.46Å; A219-E223 PolarHBondContact O-N 3.11Å; L220-E223 CarbonylContact O-C 3.57Å; L220-E223 PolarHBondContact O-N 3.47Å; A221-E223 VanDerWaalsContact C-N 3.28Å; A221-E223 PolarHBondContact O-N 2.85Å; E223-F225 VanDerWaalsContact C-N 3.32Å; E223-F225 HydrophobicContact CB-CD2 4.05Å; E223-F225 HydrophobicContact CB-CE2 4.13Å; E223-F225 PolarHBondContact O-N 2.64Å
224	G	98	Very high	98.1	Very high	40 Å²	40	66.5 Å²	66.5	41%	0.412	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	23	171.6	0	0	0	0	0	114.7	L220 A221 D222 P294	L220-G224 PolarHBondContact O-N 3.08Å; A221-G224 WeakPolarHBondContact O-CA 3.48Å; A221-G224 PolarHBondContact O-N 3.37Å; D222-G224 PolarHBondContact O-N 2.87Å; G224-P294 WeakPolarHBondContact O-CD 3.49Å
225	F	98.6	Very high	97.7	Very high	11 Å²	11	66.3 Å²	66.3	5%	0.048	36%	0.36	C	S	.	.			trans	-67	150.1	165.6	-73.7	-98.4	0	0	0	110.2	V189 K193 M196 V203 L220 E223 A291 T292 K293	V189-F225 HydrophobicContact CG1-CD2 4.2Å; V189-F225 HydrophobicContact CG1-CE2 3.76Å; K193-F225 HydrophobicContact CB-CE2 3.84Å; K193-F225 HydrophobicContact CB-CZ 3.84Å; K193-F225 HydrophobicContact CD-CE2 4.26Å; K193-F225 HydrophobicContact CG-CE2 4.3Å; K193-F225 HydrophobicContact CG-CZ 4.37Å; M196-F225 HydrophobicContact CE-CE1 4.4Å; M196-F225 HydrophobicContact SD-CE1 3.99Å; M196-F225 HydrophobicContact SD-CZ 4.17Å; V203-F225 HydrophobicContact CB-CE1 4.08Å; V203-F225 HydrophobicContact CG1-CD1 3.65Å; V203-F225 HydrophobicContact CG1-CE1 3.41Å; V203-F225 VanDerWaalsContact CG1-CE1 3.41Å; V203-F225 HydrophobicContact CG1-CZ 4.14Å; L220-F225 HydrophobicContact CB-CB 4.19Å; L220-F225 HydrophobicContact CB-CD2 4.44Å; L220-F225 HydrophobicContact CD2-CB 4.16Å; L220-F225 HydrophobicContact CD2-CD1 4.07Å; L220-F225 HydrophobicContact CD2-CD2 3.62Å; L220-F225 HydrophobicContact CD2-CE1 4.37Å; L220-F225 HydrophobicContact CD2-CE2 3.93Å; L220-F225 HydrophobicContact CD2-CG 3.69Å; L220-F225 HydrophobicContact CD2-CZ 4.3Å; L220-F225 WeakPolarHBondContact O-CB 3.35Å; L220-F225 WeakPolarHBondContact O-CD2 3.41Å; L220-F225 PolarHBondContact O-N 2.8Å; E223-F225 VanDerWaalsContact C-N 3.32Å; E223-F225 HydrophobicContact CB-CD2 4.05Å; E223-F225 HydrophobicContact CB-CE2 4.13Å; E223-F225 PolarHBondContact O-N 2.64Å; F225-A291 HydrophobicContact CB-CB 3.9Å; F225-A291 HydrophobicContact CD1-CB 4.07Å; F225-A291 HydrophobicContact CG-CB 4.32Å; F225-T292 WeakPolarHBondContact CA-O 3.44Å; F225-K293 HydrophobicContact CD1-CB 4.13Å; F225-K293 HydrophobicContact CE1-CB 3.81Å
226	Q	98.2	Very high	97.4	Very high	122 Å²	122	69.2 Å²	69.2	57%	0.57	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	173.3	178.1	-61.8	-169.5	-2.1	0	0	110.4	I228 T292 P294	Q226-I228 PolarHBondContact O-N 2.75Å; Q226-T292 PolarHBondContact N-O 2.83Å; Q226-T292 PolarHBondContact O-N 3.38Å; Q226-P294 HydrophobicContact CG-CG 4.35Å
227	E	97.8	Very high	96.9	Very high	135 Å²	135	72.8 Å²	72.8	63%	0.631	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.2	40	175.6	-156.8	-169.6	-171.3	0	0	112.8	R202 S229 T292	R202-E227 IonicContact NH1-OE2 3.05Å; R202-E227 PolarHBondContact NH1-OE2 3.07Å; E227-S229 PolarHBondContact O-N 3.4Å; E227-T292 PolarHBondContact OE2-OG1 2.94Å
228	I	98.7	Very high	96.6	Very high	55 Å²	55	74.7 Å²	74.7	28%	0.282	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120.9	-180	-54.6	172	0	0	0	108.5	V217 L220 A221 Q226 T289 F290 A291	V217-I228 HydrophobicContact CB-CG2 4.43Å; V217-I228 HydrophobicContact CG1-CG2 4.09Å; V217-I228 HydrophobicContact CG2-CG2 3.93Å; L220-I228 HydrophobicContact CB-CD1 3.8Å; L220-I228 HydrophobicContact CB-CG1 4.36Å; L220-I228 HydrophobicContact CD1-CG2 4.42Å; A221-I228 HydrophobicContact CB-CD1 4.06Å; Q226-I228 PolarHBondContact O-N 2.75Å; I228-T289 HydrophobicContact CG2-CG2 4.08Å; I228-F290 CarbonylContact C-O 3.58Å; I228-F290 VanDerWaalsContact CA-O 3.3Å; I228-F290 WeakPolarHBondContact CA-O 3.49Å; I228-A291 HydrophobicContact CB-CB 4.5Å; I228-A291 HydrophobicContact CG1-CB 3.89Å
229	S	98.6	Very high	96.3	Very high	59 Å²	59	72.6 Å²	72.6	41%	0.413	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	127.1	-177.4	-177.8	0	0	0	0	110.5	E227 T289 F290	E227-S229 PolarHBondContact O-N 3.4Å; S229-T289 CarbonylContact O-C 3.57Å; S229-T289 WeakPolarHBondContact O-CA 3.37Å; S229-F290 PolarHBondContact N-O 2.96Å; S229-F290 PolarHBondContact O-N 3.31Å
230	T	98.7	Very high	96	Very high	58 Å²	58	77.3 Å²	77.3	36%	0.356	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.1	175.8	-59	0	0	0	0	109.8	V213 Y287 L288 T289	V213-T230 HydrophobicContact CG1-CG2 3.89Å; T230-Y287 HydrophobicContact CG2-CD1 4.36Å; T230-Y287 HydrophobicContact CG2-CG 4.48Å; T230-L288 CarbonylContact C-O 3.56Å; T230-L288 WeakPolarHBondContact CA-O 3.2Å; T230-T289 PolarHBondContact OG1-OG1 2.71Å
231	L	97.7	Very high	95.7	Very high	46 Å²	46	82.6 Å²	82.6	24%	0.241	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.9	176.7	63.9	85	0	0	0	111.8	V233 L288 F290	L231-V233 HydrophobicContact CD1-CG2 3.5Å; L231-V233 VanDerWaalsContact CD1-CG2 3.5Å; L231-L288 HydrophobicContact CD1-CB 3.99Å; L231-L288 HydrophobicContact CD1-CD1 3.98Å; L231-L288 HydrophobicContact CG-CB 4.35Å; L231-L288 PolarHBondContact N-O 3.44Å; L231-L288 PolarHBondContact O-N 3.11Å; L231-F290 HydrophobicContact CD1-CE2 4.15Å; L231-F290 HydrophobicContact CD2-CD2 4.01Å; L231-F290 HydrophobicContact CD2-CE2 3.71Å; L231-F290 HydrophobicContact CG-CD2 4.27Å; L231-F290 HydrophobicContact CG-CE2 3.85Å
232	E	97.7	Very high	95.6	Very high	78 Å²	78	83.8 Å²	83.8	36%	0.364	44%	0.44	S	S	.	.			trans	-130.1	143.3	169.8	175.8	-178.8	-153.2	0	0	107.9	L234 H284 Y287	E232-L234 HydrophobicContact CG-CD2 4.07Å; E232-L234 HydrophobicContact CG-CG 4.34Å; E232-H284 IonicContact OE1-CE1 3.18Å; E232-H284 IonicContact OE1-CG 2.64Å; E232-H284 IonicContact OE1-ND1 3.66Å; E232-H284 PolarHBondContact OE1-ND1 2.95Å; E232-Y287 HydrophobicContact CB-CD1 4.46Å
233	V	95	Very high	95.3	Very high	36 Å²	36	79.6 Å²	79.6	22%	0.218	42%	0.417	C	S	.	.			trans	-123.5	117.9	180	-168	0	0	0	0	110.6	T90 N94 L231	T90-V233 HydrophobicContact CG2-CB 4.12Å; T90-V233 HydrophobicContact CG2-CG1 3.48Å; T90-V233 VanDerWaalsContact CG2-CG1 3.48Å; N94-V233 HydrophobicContact CB-CG2 4.3Å; L231-V233 HydrophobicContact CD1-CG2 3.5Å; L231-V233 VanDerWaalsContact CD1-CG2 3.5Å
234	L	93.4	Very high	95.1	Very high	109 Å²	109	81.4 Å²	81.4	57%	0.571	43%	0.431	S	S	*	.			trans	-105.4	113.7	-178.1	-60.1	179.4	0	0	0	111	E232 G283	E232-L234 HydrophobicContact CG-CD2 4.07Å; E232-L234 HydrophobicContact CG-CG 4.34Å; L234-G283 WeakPolarHBondContact CD2-O 3.37Å
235	L	91.6	Very high	94.8	Very high	103 Å²	103	83.9 Å²	83.9	54%	0.539	44%	0.435	S	S	.	.			trans	-78.9	130.4	175.4	179.6	65.5	0	0	0	111	T90 V237 M281	T90-L235 HydrophobicContact CG2-CB 4.18Å; L235-V237 HydrophobicContact CD2-CG2 3.93Å; L235-V237 HydrophobicContact CG-CG2 4.09Å; L235-M281 WeakPolarHBondContact O-CE 3.36Å
236	R	90.6	Very high	94.3	Very high	163 Å²	163	88.4 Å²	88.4	62%	0.615	47%	0.465	S	S	*	.			trans	-119.8	110	167.2	-167.7	170.4	-72.5	157.1	2.4	110.6	H238 P277 M281	R236-H238 WeakPolarHBondContact CD-NE2 3.25Å; R236-P277 HydrophobicContact CG-CB 4.17Å; R236-M281 HydrophobicContact CB-CE 3.65Å; R236-M281 HydrophobicContact CB-SD 4.46Å; R236-M281 HydrophobicContact CG-CE 3.63Å; R236-M281 HydrophobicContact CG-SD 3.78Å; R236-M281 PolarHBondContact NE-SD 3.37Å; R236-M281 VanDerWaalsContact NE-SD 3.42Å
237	V	90.1	Very high	93.8	Very high	77 Å²	77	86.9 Å²	86.9	47%	0.467	46%	0.46	S	S	.	.			trans	-83	147.1	172.2	-175.9	0	0	0	0	108.8	L235 P278	L235-V237 HydrophobicContact CD2-CG2 3.93Å; L235-V237 HydrophobicContact CG-CG2 4.09Å; V237-P278 WeakPolarHBondContact O-CD 3.25Å
238	H	92.2	Very high	93.2	Very high	86 Å²	86	84.4 Å²	84.4	40%	0.398	46%	0.456	S	S	.	.			trans	-128.2	125.7	-178.1	-85.2	-121.7	0	0	0	110	R236 T275	R236-H238 WeakPolarHBondContact CD-NE2 3.25Å; H238-T275 HydrophobicContact CB-CG2 4.42Å; H238-T275 WeakPolarHBondContact ND1-CB 3.39Å; H238-T275 PolarHBondContact ND1-OG1 3.24Å
239	D	91.6	Very high	92.4	Very high	79 Å²	79	87.3 Å²	87.3	42%	0.422	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.4	170.7	-66.3	-33.1	0	0	0	109.7	T275 T276	D239-T275 CarbonylContact O-C 3.57Å; D239-T275 VanDerWaalsContact O-CA 3.28Å; D239-T275 WeakPolarHBondContact O-CA 3.46Å; D239-T276 PolarHBondContact N-O 3.41Å; D239-T276 PolarHBondContact O-N 2.96Å; D239-T276 PolarHBondContact O-OG1 3.3Å
240	V	93.4	Very high	91.6	Very high	119 Å²	119	93.2 Å²	93.2	72%	0.721	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.1	173.1	-176.3	0	0	0	0	108.7	T275	V240-T275 HydrophobicContact CG2-CG2 4.22Å
241	R	93.1	Very high	90.6	Very high	115 Å²	115	92.9 Å²	92.9	43%	0.434	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.9	179.7	64.8	175.1	85.3	-168.1	2.9	111.9	I243 T274 T276	R241-I243 HydrophobicContact CG-CG2 3.93Å; R241-T274 HydrophobicContact CG-CG2 3.95Å; R241-T274 PolarHBondContact N-O 2.82Å; R241-T274 PolarHBondContact O-N 3.38Å; R241-T274 VanDerWaalsContact O-O 3.08Å; R241-T276 HydrophobicContact CG-CG2 4.33Å; R241-T276 VanDerWaalsContact NE-CG2 3.34Å; R241-T276 PolarHBondContact NE-OG1 3.24Å; R241-T276 PolarHBondContact NH2-OG1 3.01Å
242	S	94.9	Very high	89.2	Confident	78 Å²	78	95.2 Å²	95.2	55%	0.545	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.5	165.2	-60.4	0	0	0	0	108.5	C272	S242-C272 WeakPolarHBondContact CA-O 3.46Å
243	I	93	Very high	87.5	Confident	55 Å²	55	99.8 Å²	99.8	28%	0.282	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.7	172.6	66.8	171.1	0	0	0	109.6	R241 L245 C272 T274	R241-I243 HydrophobicContact CG-CG2 3.93Å; I243-L245 HydrophobicContact CD1-CD2 3.87Å; I243-L245 HydrophobicContact CD1-CG 4.17Å; I243-L245 HydrophobicContact CG1-CG 4.47Å; I243-C272 WeakPolarHBondContact CG1-SG 3.45Å; I243-C272 PolarHBondContact N-O 2.81Å; I243-C272 PolarHBondContact O-N 3.49Å; I243-T274 HydrophobicContact CD1-CG2 3.83Å; I243-T274 HydrophobicContact CG1-CG2 3.94Å; I243-T274 HydrophobicContact CG2-CG2 4Å
244	T	93.8	Very high	85.5	Confident	86 Å²	86	104.5 Å²	104.5	53%	0.528	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	116	173.5	-58.8	0	0	0	0	107.7	S269	T244-S269 VanDerWaalsContact CG2-CB 3.44Å; T244-S269 WeakPolarHBondContact CG2-OG 3.19Å
245	L	91.4	Very high	83.6	Confident	92 Å²	92	104.8 Å²	104.8	48%	0.482	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.6	118.5	174.6	-65.8	175	0	0	0	108.3	I243 L247 S269 V270	I243-L245 HydrophobicContact CD1-CD2 3.87Å; I243-L245 HydrophobicContact CD1-CG 4.17Å; I243-L245 HydrophobicContact CG1-CG 4.47Å; L245-L247 PolarHBondContact O-N 3.39Å; L245-S269 WeakPolarHBondContact O-CA 3.43Å; L245-V270 PolarHBondContact N-O 2.85Å; L245-V270 PolarHBondContact O-N 2.85Å
246	P	89.8	Confident	81.8	Confident	106 Å²	106	108.6 Å²	108.6	69%	0.688	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.8	132	173.5	27.6	-31.9	0	0	0	108.6
247	L	86.1	Confident	79.8	Confident	90 Å²	90	108.9 Å²	108.9	47%	0.471	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-72.9	133.5	169.9	-70.4	171.7	0	0	0	108.1	L245 D249 A268 V270	L245-L247 PolarHBondContact O-N 3.39Å; L247-D249 PolarHBondContact O-N 2.68Å; L247-A268 HydrophobicContact CB-CB 4.29Å; L247-A268 VanDerWaalsContact CB-O 3.29Å; L247-A268 WeakPolarHBondContact CB-O 3.46Å; L247-A268 HydrophobicContact CD1-CB 3.69Å; L247-A268 HydrophobicContact CG-CB 4.48Å; L247-A268 PolarHBondContact N-O 2.79Å; L247-V270 HydrophobicContact CD1-CG2 4.05Å; L247-V270 HydrophobicContact CD2-CG2 3.79Å; L247-V270 HydrophobicContact CG-CG2 3.97Å
248	P	85.3	Confident	77.9	Confident	83 Å²	83	110.7 Å²	110.7	54%	0.539	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-60.2	133	173.8	17.5	-23.4	0	0	0	109.8	F250	P248-F250 HydrophobicContact CB-CE1 4.25Å; P248-F250 HydrophobicContact CB-CE2 3.99Å; P248-F250 HydrophobicContact CB-CZ 3.81Å; P248-F250 HydrophobicContact CG-CD2 4.48Å; P248-F250 HydrophobicContact CG-CE1 4.38Å; P248-F250 HydrophobicContact CG-CE2 3.55Å; P248-F250 HydrophobicContact CG-CZ 3.49Å; P248-F250 VanDerWaalsContact CG-CZ 3.49Å; P248-F250 WeakPolarHBondContact O-CD2 3.23Å; P248-F250 PolarHBondContact O-N 2.71Å
249	D	83.6	Confident	75.9	Confident	115 Å²	115	112.9 Å²	112.9	62%	0.615	64%	0.635	S	S	*	*			trans	-78.1	113.7	171.7	-177.7	6	0	0	0	108.6	L247 G251	L247-D249 PolarHBondContact O-N 2.68Å; D249-G251 PolarHBondContact OD1-N 2.79Å
250	F	81.1	Confident	74	Confident	184 Å²	184	114.2 Å²	114.2	81%	0.807	65%	0.646	S	S	*	*			trans	-98.2	7.4	177.4	-64.4	-69.6	0	0	0	112.6	P248	P248-F250 HydrophobicContact CB-CE1 4.25Å; P248-F250 HydrophobicContact CB-CE2 3.99Å; P248-F250 HydrophobicContact CB-CZ 3.81Å; P248-F250 HydrophobicContact CG-CD2 4.48Å; P248-F250 HydrophobicContact CG-CE1 4.38Å; P248-F250 HydrophobicContact CG-CE2 3.55Å; P248-F250 HydrophobicContact CG-CZ 3.49Å; P248-F250 VanDerWaalsContact CG-CZ 3.49Å; P248-F250 WeakPolarHBondContact O-CD2 3.23Å; P248-F250 PolarHBondContact O-N 2.71Å
251	G	76.4	Confident	71.8	Confident	51 Å²	51	116.8 Å²	116.8	53%	0.526	66%	0.656	S	S	.	*			trans	84.2	173.2	-171.5	0	0	0	0	0	112.9	D249	D249-G251 PolarHBondContact OD1-N 2.79Å
252	S	69.6	Low	69.7	Low	95 Å²	95	116.3 Å²	116.3	66%	0.664	67%	0.666	S	S	*	*			trans	-71.5	133.2	178	55	0	0	0	0	111.7	Q254	S252-Q254 PolarHBondContact O-N 3.1Å
253	D	60.8	Low	67.5	Low	174 Å²	174	118.7 Å²	118.7	93%	0.93	68%	0.68	S	S	*	*			trans	-64.7	12.6	166.7	-82.7	-27.3	0	0	0	113.7
254	Q	54.6	Low	65.6	Low	134 Å²	134	121.9 Å²	121.9	63%	0.626	70%	0.702	S	S	*	*			trans	-78.3	132.7	-179.3	-71.8	-166.5	-8.3	0	0	110.7	S252	S252-Q254 PolarHBondContact O-N 3.1Å
255	P	53.7	Low	63.5	Low	115 Å²	115	123 Å²	123	75%	0.747	71%	0.711	S	S	*	*			trans	-55.6	143.5	161.2	-13.4	26.7	0	0	0	108.8	E257	P255-E257 PolarHBondContact O-N 3.13Å
256	L	52.7	Low	62	Low	183 Å²	183	121.6 Å²	121.6	96%	0.958	71%	0.708	S	S	*	*	S	Bend	trans	-58.4	53	-175.6	-107.6	131.9	0	0	0	115.4
257	E	49.3	Very low	60.7	Low	169 Å²	169	123.7 Å²	123.7	79%	0.79	71%	0.713	S	S	*	*			trans	-144.4	81.4	178.3	-69.5	-167.8	173.8	0	0	112.7	P255	P255-E257 PolarHBondContact O-N 3.13Å
258	T	50.7	Low	60.4	Low	115 Å²	115	121.8 Å²	121.8	71%	0.706	71%	0.711	S	S	*	*				155.4	135	126.6	38.4	0	0	0	0	111	T260	T258-T260 PolarHBondContact O-N 3.07Å
259	P	49.6	Very low	60.4	Low	132 Å²	132	121.1 Å²	121.1	86%	0.857	71%	0.708	S	S	*	*			trans	-82.5	103.9	-176.3	31.5	-30.1	0	0	0	110.3
260	T	51.4	Low	60.7	Low	107 Å²	107	119 Å²	119	66%	0.656	70%	0.699	S	S	*	*			trans	-105.5	116.8	165.4	49.1	0	0	0	0	110.4	T258 T262	T258-T260 PolarHBondContact O-N 3.07Å; T260-T262 PolarHBondContact O-N 2.8Å
261	D	47.8	Very low	61.3	Low	173 Å²	173	116 Å²	116	93%	0.925	69%	0.691	S	S	*	*			trans	-75.2	38	-170.4	-118	-7.4	0	0	0	114.8
262	T	49.2	Very low	62.1	Low	105 Å²	105	115.4 Å²	115.4	64%	0.644	68%	0.678	S	S	*	*			trans	-122.6	115.5	176.8	33.9	0	0	0	0	110.9	T260 V264	T260-T262 PolarHBondContact O-N 2.8Å; T262-V264 PolarHBondContact O-N 3.25Å; T262-V264 VanDerWaalsContact O-N 3.14Å
263	P	47.5	Very low	63.3	Low	128 Å²	128	119.4 Å²	119.4	83%	0.831	68%	0.684	S	S	*	*			trans	-70.6	110.8	176.5	28.1	-30.5	0	0	0	108.8	P265	P263-P265 WeakPolarHBondContact O-CD 3.42Å
264	V	52.8	Low	64.9	Low	123 Å²	123	113.5 Å²	113.5	75%	0.745	65%	0.654	S	S	*	*			trans	-79.5	116.8	171.2	-175.3	0	0	0	0	107.2	T262 S266	T262-V264 PolarHBondContact O-N 3.25Å; T262-V264 VanDerWaalsContact O-N 3.14Å; V264-S266 PolarHBondContact O-N 3Å
265	P	50.2	Low	66.8	Low	110 Å²	110	110.4 Å²	110.4	71%	0.714	64%	0.644	S	S	*	*			trans	-79.2	95.3	176.4	25.6	-19.7	0	0	0	108.5	P263 N267	P263-P265 WeakPolarHBondContact O-CD 3.42Å; P265-N267 PolarHBondContact O-N 2.76Å
266	S	60.6	Low	68.6	Low	61 Å²	61	106.4 Å²	106.4	43%	0.427	62%	0.618	S	S	.	*			trans	-81	61.3	168.4	67.9	0	0	0	0	110.4	V264 A268	V264-S266 PolarHBondContact O-N 3Å; S266-A268 PolarHBondContact O-N 2.95Å
267	N	62.9	Low	70.4	Confident	150 Å²	150	100.7 Å²	100.7	80%	0.802	59%	0.591	S	S	*	*			trans	-78.4	55.9	167.3	-79.9	-5.3	0	0	0	109.7	P265 S269	P265-N267 PolarHBondContact O-N 2.76Å; N267-S269 PolarHBondContact O-N 3.46Å
268	A	78.6	Confident	72	Confident	50 Å²	50	94.9 Å²	94.9	41%	0.413	57%	0.569	S	S	.	*			trans	-65.7	133.1	171.8	0	0	0	0	0	107.6	L247 S266	L247-A268 HydrophobicContact CB-CB 4.29Å; L247-A268 VanDerWaalsContact CB-O 3.29Å; L247-A268 WeakPolarHBondContact CB-O 3.46Å; L247-A268 HydrophobicContact CD1-CB 3.69Å; L247-A268 HydrophobicContact CG-CB 4.48Å; L247-A268 PolarHBondContact N-O 2.79Å; S266-A268 PolarHBondContact O-N 2.95Å
269	S	85.8	Confident	73.3	Confident	69 Å²	69	101.3 Å²	101.3	48%	0.483	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.6	150.9	-178.5	65	0	0	0	0	110.1	T244 L245 N267	T244-S269 VanDerWaalsContact CG2-CB 3.44Å; T244-S269 WeakPolarHBondContact CG2-OG 3.19Å; L245-S269 WeakPolarHBondContact O-CA 3.43Å; N267-S269 PolarHBondContact O-N 3.46Å
270	V	90.5	Very high	74.7	Confident	71 Å²	71	102 Å²	102	43%	0.43	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	120.3	178.4	-179.2	0	0	0	0	108.4	L245 L247	L245-V270 PolarHBondContact N-O 2.85Å; L245-V270 PolarHBondContact O-N 2.85Å; L247-V270 HydrophobicContact CD1-CG2 4.05Å; L247-V270 HydrophobicContact CD2-CG2 3.79Å; L247-V270 HydrophobicContact CG-CG2 3.97Å
271	L	93.3	Very high	75.8	Confident	121 Å²	121	100.6 Å²	100.6	63%	0.634	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.7	122.7	168.8	-176.6	68.8	0	0	0	108.8
272	C	93	Very high	77.1	Confident	38 Å²	38	96.6 Å²	96.6	26%	0.257	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.5	147.3	173.3	67.9	0	0	0	0	111.5	S242 I243	S242-C272 WeakPolarHBondContact CA-O 3.46Å; I243-C272 WeakPolarHBondContact CG1-SG 3.45Å; I243-C272 PolarHBondContact N-O 2.81Å; I243-C272 PolarHBondContact O-N 3.49Å
273	K	95.3	Very high	78.6	Confident	179 Å²	179	94.4 Å²	94.4	78%	0.778	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.3	127.7	168.3	-69.7	-176.7	179.6	179.8	0	107.8
274	T	94.6	Very high	80.6	Confident	50 Å²	50	92.2 Å²	92.2	31%	0.307	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	167.3	178.3	-169.4	0	0	0	0	110.4	R241 I243 T276	R241-T274 HydrophobicContact CG-CG2 3.95Å; R241-T274 PolarHBondContact N-O 2.82Å; R241-T274 PolarHBondContact O-N 3.38Å; R241-T274 VanDerWaalsContact O-O 3.08Å; I243-T274 HydrophobicContact CD1-CG2 3.83Å; I243-T274 HydrophobicContact CG1-CG2 3.94Å; I243-T274 HydrophobicContact CG2-CG2 4Å; T274-T276 HydrophobicContact CG2-CG2 4.48Å
275	T	94.3	Very high	82.4	Confident	69 Å²	69	88.9 Å²	88.9	42%	0.423	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	151.8	164.6	68.2	0	0	0	0	110.4	H238 D239 V240	H238-T275 HydrophobicContact CB-CG2 4.42Å; H238-T275 WeakPolarHBondContact ND1-CB 3.39Å; H238-T275 PolarHBondContact ND1-OG1 3.24Å; D239-T275 CarbonylContact O-C 3.57Å; D239-T275 VanDerWaalsContact O-CA 3.28Å; D239-T275 WeakPolarHBondContact O-CA 3.46Å; V240-T275 HydrophobicContact CG2-CG2 4.22Å
276	T	91.1	Very high	84.6	Confident	32 Å²	32	83.7 Å²	83.7	20%	0.196	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.5	175	50.9	0	0	0	0	108.7	D239 R241 T274	D239-T276 PolarHBondContact N-O 3.41Å; D239-T276 PolarHBondContact O-N 2.96Å; D239-T276 PolarHBondContact O-OG1 3.3Å; R241-T276 HydrophobicContact CG-CG2 4.33Å; R241-T276 VanDerWaalsContact NE-CG2 3.34Å; R241-T276 PolarHBondContact NE-OG1 3.24Å; R241-T276 PolarHBondContact NH2-OG1 3.01Å; T274-T276 HydrophobicContact CG2-CG2 4.48Å
277	P	89.3	Confident	86.4	Confident	62 Å²	62	83.8 Å²	83.8	40%	0.403	47%	0.469	S	S	.	.			trans	-67.5	156.6	169.3	30.7	-34.2	0	0	0	110.3	R236	R236-P277 HydrophobicContact CG-CB 4.17Å
278	P	83.3	Confident	88.1	Confident	48 Å²	48	76.6 Å²	76.6	31%	0.312	43%	0.43	S	S	.	.			trans	-51.9	149.1	165.8	-26.2	32.6	0	0	0	111.3	V237 D280	V237-P278 WeakPolarHBondContact O-CD 3.25Å; P278-D280 VanDerWaalsContact C-N 3.28Å; P278-D280 WeakPolarHBondContact CB-O 3.46Å; P278-D280 PolarHBondContact O-N 2.85Å
279	R	78	Confident	89.1	Confident	249 Å²	249	74.3 Å²	74.3	94%	0.94	41%	0.411	S	S	*	.	S	Bend	trans	-65.5	-36.1	176.7	-70.7	-174.2	176.8	-171.5	-1	111.9
280	D	80.2	Confident	89.7	Confident	148 Å²	148	71 Å²	71	79%	0.791	39%	0.388	S	S	*	.	S	Bend	trans	-113.5	126.5	177.8	-57.6	-44.9	0	0	0	108.9	P278	P278-D280 VanDerWaalsContact C-N 3.28Å; P278-D280 WeakPolarHBondContact CB-O 3.46Å; P278-D280 PolarHBondContact O-N 2.85Å
281	M	73.9	Confident	90.1	Very high	76 Å²	76	67.7 Å²	67.7	37%	0.374	37%	0.368	S	S	.	.			trans	-117.5	141.3	174.9	-69.7	-172.5	59.1	0	0	109.3	L235 R236 G283	L235-M281 WeakPolarHBondContact O-CE 3.36Å; R236-M281 HydrophobicContact CB-CE 3.65Å; R236-M281 HydrophobicContact CB-SD 4.46Å; R236-M281 HydrophobicContact CG-CE 3.63Å; R236-M281 HydrophobicContact CG-SD 3.78Å; R236-M281 PolarHBondContact NE-SD 3.37Å; R236-M281 VanDerWaalsContact NE-SD 3.42Å; M281-G283 PolarHBondContact O-N 3.05Å
282	A	74.1	Confident	90.4	Very high	90 Å²	90	63.5 Å²	63.5	74%	0.744	35%	0.348	S	S	*	.			trans	-58.8	126.1	166.6	0	0	0	0	0	108.6
283	G	82.3	Confident	90.6	Very high	58 Å²	58	62.7 Å²	62.7	60%	0.598	34%	0.34	S	S	*	.			trans	-78.2	-70.7	-173.3	0	0	0	0	0	112.3	L234 M281	L234-G283 WeakPolarHBondContact CD2-O 3.37Å; M281-G283 PolarHBondContact O-N 3.05Å
284	H	89.6	Confident	90.6	Very high	83 Å²	83	56 Å²	56	38%	0.384	32%	0.315	S	S	.	.			trans	-129.7	129.1	-175	176.3	63.6	0	0	0	109.4	P208 E232 G286 Y287	P208-H284 PolarHBondContact O-NE2 2.9Å; E232-H284 IonicContact OE1-CE1 3.18Å; E232-H284 IonicContact OE1-CG 2.64Å; E232-H284 IonicContact OE1-ND1 3.66Å; E232-H284 PolarHBondContact OE1-ND1 2.95Å; H284-G286 WeakPolarHBondContact CE1-CA 3.2Å; H284-G286 WeakPolarHBondContact NE2-CA 3.48Å; H284-Y287 AromaticContact CE1-CD2 3.86Å; H284-Y287 AromaticContact CE1-CE2 3.57Å; H284-Y287 AromaticContact CE1-CZ 3.74Å; H284-Y287 AromaticContact NE2-CE2 3.71Å
285	T	90.3	Very high	90.4	Very high	53 Å²	53	58 Å²	58	33%	0.325	33%	0.331	S	S	.	.			trans	-93.8	-59.5	169.1	52.9	0	0	0	0	109.9	D91 F206	D91-T285 PolarHBondContact OD2-OG1 2.94Å; F206-T285 WeakPolarHBondContact CZ-O 3.49Å
286	G	96	Very high	89.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.358	C	S	.	.			trans	174.9	169.6	178	0	0	0	0	0	111.7	F206 H284	F206-G286 VanDerWaalsContact CE2-CA 3.42Å; H284-G286 WeakPolarHBondContact CE1-CA 3.2Å; H284-G286 WeakPolarHBondContact NE2-CA 3.48Å
287	Y	98.6	Very high	89.4	Confident	63 Å²	63	64.1 Å²	64.1	25%	0.247	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.7	174	-56	-80.2	0	0	0	110.4	F206 S207 I210 V213 T230 E232 H284	F206-Y287 CarbonylContact C-O 3.57Å; F206-Y287 WeakPolarHBondContact CA-O 3.34Å; S207-Y287 PolarHBondContact N-O 3.07Å; S207-Y287 WeakPolarHBondContact O-CD2 3.34Å; S207-Y287 PolarHBondContact O-N 3.24Å; I210-Y287 HydrophobicContact CB-CE2 4.26Å; I210-Y287 HydrophobicContact CD1-CD2 4.49Å; I210-Y287 HydrophobicContact CD1-CE1 4.35Å; I210-Y287 HydrophobicContact CD1-CE2 4.22Å; V213-Y287 HydrophobicContact CG2-CD2 3.79Å; V213-Y287 HydrophobicContact CG2-CG 3.85Å; T230-Y287 HydrophobicContact CG2-CD1 4.36Å; T230-Y287 HydrophobicContact CG2-CG 4.48Å; E232-Y287 HydrophobicContact CB-CD1 4.46Å; H284-Y287 AromaticContact CE1-CD2 3.86Å; H284-Y287 AromaticContact CE1-CE2 3.57Å; H284-Y287 AromaticContact CE1-CZ 3.74Å; H284-Y287 AromaticContact NE2-CE2 3.71Å
288	L	98.8	Very high	89.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.2	172	-63.8	172.2	0	0	0	109	D91 N94 I95 S205 F206 T230 L231 F290	D91-L288 HydrophobicContact CB-CD1 4.39Å; N94-L288 HydrophobicContact CB-CD1 4.38Å; I95-L288 HydrophobicContact CD1-CD2 3.78Å; I95-L288 HydrophobicContact CG1-CD1 4.05Å; I95-L288 HydrophobicContact CG1-CD2 3.77Å; S205-L288 CarbonylContact O-C 3.58Å; S205-L288 WeakPolarHBondContact O-CA 3.09Å; F206-L288 HydrophobicContact CB-CD2 4.06Å; F206-L288 HydrophobicContact CD2-CD2 3.74Å; F206-L288 HydrophobicContact CG-CD2 4.4Å; T230-L288 CarbonylContact C-O 3.56Å; T230-L288 WeakPolarHBondContact CA-O 3.2Å; L231-L288 HydrophobicContact CD1-CB 3.99Å; L231-L288 HydrophobicContact CD1-CD1 3.98Å; L231-L288 HydrophobicContact CG-CB 4.35Å; L231-L288 PolarHBondContact N-O 3.44Å; L231-L288 PolarHBondContact O-N 3.11Å; L288-F290 HydrophobicContact CB-CD2 4.41Å; L288-F290 HydrophobicContact CB-CE2 3.57Å; L288-F290 HydrophobicContact CB-CZ 3.97Å; L288-F290 HydrophobicContact CD1-CE2 4.44Å; L288-F290 HydrophobicContact CD1-CZ 4.3Å
289	T	98.9	Very high	89.8	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115	177.2	-59	0	0	0	0	109.9	C204 S205 V217 L220 I228 S229 T230	C204-T289 CarbonylContact C-O 3.55Å; C204-T289 VanDerWaalsContact CA-O 3.28Å; C204-T289 WeakPolarHBondContact CA-O 3.49Å; S205-T289 PolarHBondContact N-O 2.79Å; S205-T289 PolarHBondContact O-N 3.34Å; V217-T289 HydrophobicContact CG2-CG2 3.83Å; L220-T289 HydrophobicContact CD1-CG2 4Å; I228-T289 HydrophobicContact CG2-CG2 4.08Å; S229-T289 CarbonylContact O-C 3.57Å; S229-T289 WeakPolarHBondContact O-CA 3.37Å; T230-T289 PolarHBondContact OG1-OG1 2.71Å
290	F	98.9	Very high	90.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.4	178.7	-61.4	-85.1	0	0	0	111.2	M98 V203 C204 I228 S229 L231 L288	M98-F290 HydrophobicContact CB-CD1 3.59Å; M98-F290 HydrophobicContact CB-CD2 4.42Å; M98-F290 HydrophobicContact CB-CE1 3.26Å; M98-F290 HydrophobicContact CB-CE2 4.14Å; M98-F290 HydrophobicContact CB-CG 4.17Å; M98-F290 HydrophobicContact CB-CZ 3.56Å; M98-F290 HydrophobicContact CG-CE1 4.22Å; M98-F290 HydrophobicContact CG-CE2 4.28Å; M98-F290 HydrophobicContact CG-CZ 4.02Å; V203-F290 CarbonylContact O-C 3.51Å; V203-F290 VanDerWaalsContact O-CA 3.26Å; V203-F290 WeakPolarHBondContact O-CA 3.44Å; C204-F290 HydrophobicContact CB-CD1 3.62Å; C204-F290 HydrophobicContact CB-CE1 3.53Å; C204-F290 HydrophobicContact CB-CZ 4.45Å; C204-F290 WeakPolarHBondContact SG-CE1 3.28Å; I228-F290 CarbonylContact C-O 3.58Å; I228-F290 VanDerWaalsContact CA-O 3.3Å; I228-F290 WeakPolarHBondContact CA-O 3.49Å; S229-F290 PolarHBondContact N-O 2.96Å; S229-F290 PolarHBondContact O-N 3.31Å; L231-F290 HydrophobicContact CD1-CE2 4.15Å; L231-F290 HydrophobicContact CD2-CD2 4.01Å; L231-F290 HydrophobicContact CD2-CE2 3.71Å; L231-F290 HydrophobicContact CG-CD2 4.27Å; L231-F290 HydrophobicContact CG-CE2 3.85Å; L288-F290 HydrophobicContact CB-CD2 4.41Å; L288-F290 HydrophobicContact CB-CE2 3.57Å; L288-F290 HydrophobicContact CB-CZ 3.97Å; L288-F290 HydrophobicContact CD1-CE2 4.44Å; L288-F290 HydrophobicContact CD1-CZ 4.3Å
291	A	98.8	Very high	91.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	163.3	168.3	0	0	0	0	0	111.9	V203 L220 F225 I228	V203-A291 HydrophobicContact CG1-CB 3.78Å; V203-A291 PolarHBondContact N-O 3.21Å; V203-A291 PolarHBondContact O-N 3.29Å; L220-A291 HydrophobicContact CD1-CB 4.14Å; L220-A291 HydrophobicContact CD2-CB 4.17Å; F225-A291 HydrophobicContact CB-CB 3.9Å; F225-A291 HydrophobicContact CD1-CB 4.07Å; F225-A291 HydrophobicContact CG-CB 4.32Å; I228-A291 HydrophobicContact CB-CB 4.5Å; I228-A291 HydrophobicContact CG1-CB 3.89Å
292	T	98.8	Very high	92.2	Very high	34 Å²	34	46.6 Å²	46.6	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.8	178.1	-64.9	0	0	0	0	110.3	R202 F225 Q226 E227 P294	R202-T292 PolarHBondContact NH1-OG1 3.42Å; F225-T292 WeakPolarHBondContact CA-O 3.44Å; Q226-T292 PolarHBondContact N-O 2.83Å; Q226-T292 PolarHBondContact O-N 3.38Å; E227-T292 PolarHBondContact OE2-OG1 2.94Å; T292-P294 WeakPolarHBondContact O-CD 3.31Å
293	K	98.3	Very high	93.5	Very high	20 Å²	20	43.5 Å²	43.5	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.1	163.9	179.1	-176.2	175.6	-177	0	107.8	K193 M196 K197 G200 G201 F225	K193-K293 HydrophobicContact CG-CD 4.22Å; K193-K293 PolarHBondContact O-NZ 3.27Å; M196-K293 HydrophobicContact CB-CD 3.69Å; M196-K293 HydrophobicContact CE-CB 3.76Å; M196-K293 HydrophobicContact CE-CD 4.43Å; M196-K293 PolarHBondContact O-NZ 3.13Å; M196-K293 HydrophobicContact SD-CB 4.22Å; M196-K293 HydrophobicContact SD-CD 4.22Å; K197-K293 WeakPolarHBondContact O-CE 3.12Å; K197-K293 PolarHBondContact O-NZ 3.24Å; G200-K293 WeakPolarHBondContact CA-O 3.46Å; G201-K293 PolarHBondContact N-O 2.81Å; G201-K293 PolarHBondContact O-N 3.17Å; F225-K293 HydrophobicContact CD1-CB 4.13Å; F225-K293 HydrophobicContact CE1-CB 3.81Å
294	P	95.4	Very high	94.4	Very high	40 Å²	40	42.4 Å²	42.4	26%	0.26	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-66.8	155.9	176	28.8	-34.2	0	0	0	110.8	G224 Q226 T292 V296	G224-P294 WeakPolarHBondContact O-CD 3.49Å; Q226-P294 HydrophobicContact CG-CG 4.35Å; T292-P294 WeakPolarHBondContact O-CD 3.31Å; P294-V296 PolarHBondContact O-N 3Å
295	S	89.7	Confident	94.8	Very high	92 Å²	92	39 Å²	39	64%	0.643	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-63.1	132.6	170.4	59.1	0	0	0	0	110.1	R198 Q199	R198-S295 WeakPolarHBondContact O-CA 3.34Å; Q199-S295 WeakPolarHBondContact O-CB 3.48Å
296	V	75	Confident	95.2	Very high	164 Å²	164	37.7 Å²	37.7	99%	0.994	22%	0.223	S	C	*	.			trans	-112.4	0	175.2	-169.4	0	0	0	0	110.3	R198 P294	R198-V296 PolarHBondContact O-N 2.83Å; R198-V296 VanDerWaalsContact O-N 3.09Å; P294-V296 PolarHBondContact O-N 3Å

Retrieved 296 of 296 residues in 786 ms (Link to these results)

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