A0A087Y2P0_POEFO Loading...

Histone acetyltransferase type B catalytic subunit

Histone acetyltransferase that plays a role in different biological processes including cell cycle progression, glucose metabolism, histone production or DNA damage repair. Coordinates histone production and acetylation via H4 promoter binding. Acetylates histone H4 at 'Lys-5' (H4K5ac) and 'Lys-12' (H4K12ac) and, to a lesser extent, histone H2A at 'Lys-5' (H2AK5ac). Drives H4 production by chromatin binding to support chromatin replication and acetylation. Since transcription of H4 genes is tightly coupled to S-phase, plays an important role in S-phase entry and progression. Promotes homologous recombination in DNA repair by facilitating histone turnover and incorporation of acetylated H3.3 at sites of double-strand breaks. In addition, acetylates other substrates such as chromatin-related proteins. Also acetylates RSAD2 which mediates the interaction of ubiquitin ligase UBE4A with RSAD2 leading to RSAD2 ubiquitination and subsequent degradation.

AlphaFold DB , UniProt , Accession A0A087Y2P0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 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	63.6	Low	84.4	Confident	168 Å²	168	100.9 Å²	100.9	83%	0.828	49%	0.488	S	S	*	.				0	-53.5	0	-159.6	177.2	-78.7	0	0	109.7	K3 K4 L5	M1-K3 PolarHBondContact O-N 2.53Å; M1-K4 WeakPolarHBondContact O-CA 3.38Å; M1-K4 WeakPolarHBondContact O-CB 3.22Å; M1-K4 PolarHBondContact O-N 3.43Å; M1-L5 HydrophobicContact CG-CD1 3.93Å; M1-L5 HydrophobicContact CG-CG 4.33Å; M1-L5 PolarHBondContact O-N 3.06Å
2	E	66.5	Low	85.6	Confident	170 Å²	170	92.5 Å²	92.5	79%	0.794	45%	0.447	S	S	*	.	H	α-helix	trans	-46.7	-51	176.4	-69.6	175.8	151.1	0	0	115.1	K4 L5 A6	E2-K4 PolarHBondContact O-N 3.35Å; E2-K4 VanDerWaalsContact O-N 3.16Å; E2-L5 PolarHBondContact O-N 2.93Å; E2-L5 VanDerWaalsContact O-N 3.07Å; E2-A6 PolarHBondContact O-N 3.08Å
3	K	70.1	Confident	86.6	Confident	195 Å²	195	87.4 Å²	87.4	85%	0.848	42%	0.424	S	S	*	.	H	α-helix	trans	-59.8	-27.3	177.7	-73.2	-170.9	176.8	-175.2	0	114.3	M1	M1-K3 PolarHBondContact O-N 2.53Å
4	K	76.4	Confident	87.4	Confident	144 Å²	144	91.3 Å²	91.3	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-86.1	-26.6	177.1	-67.8	-173.5	173.6	-173	0	112.3	M1 E2 F82	M1-K4 WeakPolarHBondContact O-CA 3.38Å; M1-K4 WeakPolarHBondContact O-CB 3.22Å; M1-K4 PolarHBondContact O-N 3.43Å; E2-K4 PolarHBondContact O-N 3.35Å; E2-K4 VanDerWaalsContact O-N 3.16Å; K4-F82 HydrophobicContact CB-CZ 4.02Å
5	L	85.8	Confident	88.1	Confident	29 Å²	29	85.9 Å²	85.9	15%	0.152	42%	0.417	C	S	.	.	H	α-helix	trans	-82.5	-19.2	176.4	-67.9	175.7	0	0	0	112.6	M1 E2 E7 Y8 F50 V78 F82	M1-L5 HydrophobicContact CG-CD1 3.93Å; M1-L5 HydrophobicContact CG-CG 4.33Å; M1-L5 PolarHBondContact O-N 3.06Å; E2-L5 PolarHBondContact O-N 2.93Å; E2-L5 VanDerWaalsContact O-N 3.07Å; L5-E7 VanDerWaalsContact C-N 3.25Å; L5-E7 PolarHBondContact O-N 3.04Å; L5-Y8 WeakPolarHBondContact O-CB 3.43Å; L5-Y8 PolarHBondContact O-N 2.87Å; L5-F50 HydrophobicContact CB-CE2 4.45Å; L5-F50 HydrophobicContact CD2-CZ 4.39Å; L5-V78 HydrophobicContact CD2-CG2 3.63Å; L5-F82 HydrophobicContact CD2-CD2 3.85Å; L5-F82 HydrophobicContact CD2-CE2 3.86Å; L5-F82 HydrophobicContact CD2-CG 4.25Å; L5-F82 HydrophobicContact CD2-CZ 4.29Å
6	A	88.8	Confident	88.8	Confident	58 Å²	58	80.5 Å²	80.5	48%	0.479	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-58.6	-36	175.5	0	0	0	0	0	112.6	E2 Y8 K9	E2-A6 PolarHBondContact O-N 3.08Å; A6-Y8 PolarHBondContact O-N 3.39Å; A6-K9 PolarHBondContact O-N 3.39Å
7	E	91.1	Very high	89.4	Confident	110 Å²	110	76.4 Å²	76.4	51%	0.514	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-69.3	-8.8	176.4	-61.2	-178.7	-172.2	0	0	113.9	L5 K53	L5-E7 VanDerWaalsContact C-N 3.25Å; L5-E7 PolarHBondContact O-N 3.04Å; E7-K53 IonicContact OE2-NZ 3.33Å; E7-K53 PolarHBondContact OE2-NZ 3.29Å
8	Y	94.6	Very high	89.9	Confident	17 Å²	17	72.1 Å²	72.1	7%	0.067	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-100.9	8.4	177.1	-72.4	-92.3	0	0	0	112.6	L5 A6 F50 G51 Y52 K53 S76 V78 T81 F82	L5-Y8 WeakPolarHBondContact O-CB 3.43Å; L5-Y8 PolarHBondContact O-N 2.87Å; A6-Y8 PolarHBondContact O-N 3.39Å; Y8-F50 CarbonylContact O-C 3.4Å; Y8-F50 WeakPolarHBondContact O-CA 3.17Å; Y8-G51 PolarHBondContact O-N 2.8Å; Y8-Y52 CarbonylContact C-O 3.5Å; Y8-Y52 VanDerWaalsContact CA-O 3.25Å; Y8-Y52 WeakPolarHBondContact CA-O 3.44Å; Y8-Y52 PolarHBondContact O-N 2.61Å; Y8-K53 HydrophobicContact CD1-CB 4.31Å; Y8-K53 HydrophobicContact CE1-CB 4.15Å; Y8-S76 WeakPolarHBondContact CE1-OG 3.39Å; Y8-S76 PolarHBondContact OH-OG 3.18Å; Y8-V78 HydrophobicContact CD1-CB 3.8Å; Y8-V78 HydrophobicContact CD1-CG2 4.42Å; Y8-V78 HydrophobicContact CE1-CB 4.17Å; Y8-V78 HydrophobicContact CG-CB 4.21Å; Y8-V78 HydrophobicContact CG-CG2 4.38Å; Y8-T81 PolarHBondContact OH-OG1 3.32Å; Y8-F82 HydrophobicContact CD2-CE2 4.37Å; Y8-F82 AromaticContact CE2-CE2 3.83Å; Y8-F82 HydrophobicContact CE2-CE2 3.83Å
9	K	96	Very high	90.3	Very high	134 Å²	134	68.4 Å²	68.4	58%	0.583	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.4	169.6	-69.2	-173	173.6	-161.1	0	108.1	A6 V48 F50	A6-K9 PolarHBondContact O-N 3.39Å; K9-V48 HydrophobicContact CB-CG1 3.9Å; K9-V48 HydrophobicContact CD-CG1 4.46Å; K9-V48 HydrophobicContact CG-CG1 4.21Å; K9-F50 HydrophobicContact CG-CD2 3.89Å
10	C	97.6	Very high	90.8	Very high	17 Å²	17	65.9 Å²	65.9	12%	0.115	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.8	177.2	-64.4	0	0	0	0	109.7	T12 V48 A49 Y52 L55	C10-T12 PolarHBondContact O-N 3.21Å; C10-V48 CarbonylContact O-C 3.58Å; C10-V48 VanDerWaalsContact O-CA 3.3Å; C10-V48 WeakPolarHBondContact O-CA 3.29Å; C10-A49 PolarHBondContact N-O 3.08Å; C10-A49 PolarHBondContact O-N 2.94Å; C10-Y52 PolarHBondContact SG-O 3.17Å; C10-L55 HydrophobicContact CB-CB 3.89Å; C10-L55 HydrophobicContact CB-CD2 4.16Å; C10-L55 VanDerWaalsContact SG-CB 3.6Å
11	D	98.3	Very high	91.1	Very high	68 Å²	68	62.8 Å²	62.8	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	124.2	165	-175.6	-40.2	0	0	0	108.4	N13 E14 A15	D11-N13 WeakPolarHBondContact OD1-CA 3.25Å; D11-N13 WeakPolarHBondContact OD1-CB 3.21Å; D11-N13 PolarHBondContact OD1-N 2.72Å; D11-E14 HydrophobicContact CB-CB 4.28Å; D11-E14 HydrophobicContact CB-CG 4.25Å; D11-E14 PolarHBondContact OD1-N 2.94Å; D11-A15 WeakPolarHBondContact O-CB 3.39Å; D11-A15 PolarHBondContact O-N 3.22Å
12	T	98.4	Very high	92.7	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-82.7	-19.3	-174.8	51.1	0	0	0	0	113.6	C10 T16 S39 F43 E47 A49	C10-T12 PolarHBondContact O-N 3.21Å; T12-T16 VanDerWaalsContact O-CB 3.24Å; T12-T16 WeakPolarHBondContact O-CB 3.47Å; T12-T16 PolarHBondContact O-N 3.45Å; T12-T16 VanDerWaalsContact O-N 3.12Å; T12-T16 PolarHBondContact O-OG1 3.01Å; T12-S39 PolarHBondContact OG1-OG 3.45Å; T12-F43 HydrophobicContact CG2-CB 4.14Å; T12-F43 HydrophobicContact CG2-CD1 3.88Å; T12-F43 HydrophobicContact CG2-CD2 3.87Å; T12-F43 HydrophobicContact CG2-CE1 4.23Å; T12-F43 HydrophobicContact CG2-CE2 4.22Å; T12-F43 HydrophobicContact CG2-CG 3.69Å; T12-F43 HydrophobicContact CG2-CZ 4.39Å; T12-E47 PolarHBondContact N-O 3.08Å; T12-E47 PolarHBondContact OG1-O 3.48Å; T12-A49 HydrophobicContact CG2-CB 3.49Å; T12-A49 VanDerWaalsContact CG2-CB 3.49Å
13	N	98.3	Very high	94.1	Very high	26 Å²	26	52.4 Å²	52.4	14%	0.139	25%	0.252	C	S	.	.	H	α-helix	trans	-69.4	-41.7	169.6	-62.3	-19.8	0	0	0	109.5	D11 H35 S39 E47	D11-N13 WeakPolarHBondContact OD1-CA 3.25Å; D11-N13 WeakPolarHBondContact OD1-CB 3.21Å; D11-N13 PolarHBondContact OD1-N 2.72Å; N13-H35 WeakPolarHBondContact O-CB 3.23Å; N13-H35 PolarHBondContact O-ND1 3.17Å; N13-S39 WeakPolarHBondContact OD1-CB 3.48Å; N13-S39 PolarHBondContact OD1-N 2.99Å; N13-S39 PolarHBondContact OD1-OG 3.17Å; N13-E47 PolarHBondContact ND2-OE2 3.31Å
14	E	98.1	Very high	95.3	Very high	142 Å²	142	45.5 Å²	45.5	66%	0.664	23%	0.228	S	C	*	.	H	α-helix	trans	-74.7	-40.5	175.7	-62.9	-171.5	165	0	0	112.7	D11 T16 H35	D11-E14 HydrophobicContact CB-CB 4.28Å; D11-E14 HydrophobicContact CB-CG 4.25Å; D11-E14 PolarHBondContact OD1-N 2.94Å; E14-T16 VanDerWaalsContact C-N 3.32Å; E14-T16 PolarHBondContact O-N 3.12Å; E14-H35 PolarHBondContact O-CE1 3.03Å; E14-H35 PolarHBondContact O-ND1 3.18Å
15	A	98.3	Very high	96.2	Very high	10 Å²	10	44.9 Å²	44.9	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-70.6	-26.2	-177.3	0	0	0	0	0	113.3	D11 C17 L55 Q56 I57	D11-A15 WeakPolarHBondContact O-CB 3.39Å; D11-A15 PolarHBondContact O-N 3.22Å; A15-C17 PolarHBondContact O-N 3.44Å; A15-L55 HydrophobicContact CB-CB 4.25Å; A15-L55 HydrophobicContact CB-CD2 4.26Å; A15-L55 HydrophobicContact CB-CG 4.14Å; A15-L55 WeakPolarHBondContact CB-O 3.36Å; A15-Q56 CarbonylContact O-C 3.52Å; A15-Q56 WeakPolarHBondContact O-CA 3.47Å; A15-I57 PolarHBondContact O-N 3.24Å
16	T	98.7	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.6	179.4	-55.9	0	0	0	0	110.7	T12 E14 L18 H35 P36 I57 L59	T12-T16 VanDerWaalsContact O-CB 3.24Å; T12-T16 WeakPolarHBondContact O-CB 3.47Å; T12-T16 PolarHBondContact O-N 3.45Å; T12-T16 VanDerWaalsContact O-N 3.12Å; T12-T16 PolarHBondContact O-OG1 3.01Å; E14-T16 VanDerWaalsContact C-N 3.32Å; E14-T16 PolarHBondContact O-N 3.12Å; T16-L18 HydrophobicContact CG2-CD2 3.93Å; T16-L18 HydrophobicContact CG2-CG 4.44Å; T16-H35 PolarHBondContact O-ND1 3.23Å; T16-P36 HydrophobicContact CG2-CG 3.74Å; T16-P36 WeakPolarHBondContact O-CD 3.39Å; T16-I57 CarbonylContact C-O 3.49Å; T16-I57 WeakPolarHBondContact CA-O 3.34Å; T16-L59 HydrophobicContact CG2-CD1 4.39Å
17	C	98.6	Very high	97.1	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.068	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.5	180	-59.5	0	0	0	0	110.2	A15 T33 Q56 I57 L59 F60	A15-C17 PolarHBondContact O-N 3.44Å; C17-T33 HydrophobicContact CB-CG2 3.72Å; C17-Q56 VanDerWaalsContact SG-CG 3.59Å; C17-Q56 PolarHBondContact SG-NE2 3.43Å; C17-Q56 VanDerWaalsContact SG-NE2 3.44Å; C17-I57 PolarHBondContact N-O 3.41Å; C17-L59 PolarHBondContact O-N 3.21Å; C17-F60 HydrophobicContact CB-CE1 4.17Å
18	L	98.8	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.6	175.7	-51.3	179.2	0	0	0	110.1	T16 T33 F34 P36 L59 Y61 F163 W166 F167	T16-L18 HydrophobicContact CG2-CD2 3.93Å; T16-L18 HydrophobicContact CG2-CG 4.44Å; L18-T33 WeakPolarHBondContact O-CA 3.39Å; L18-F34 WeakPolarHBondContact CA-O 3.29Å; L18-F34 HydrophobicContact CB-CD1 4.33Å; L18-F34 HydrophobicContact CB-CD2 3.7Å; L18-F34 HydrophobicContact CB-CE1 4.06Å; L18-F34 HydrophobicContact CB-CE2 3.41Å; L18-F34 VanDerWaalsContact CB-CE2 3.41Å; L18-F34 HydrophobicContact CB-CG 4.17Å; L18-F34 HydrophobicContact CB-CZ 3.61Å; L18-F34 WeakPolarHBondContact CB-O 3.47Å; L18-F34 HydrophobicContact CD1-CD2 3.91Å; L18-F34 HydrophobicContact CD1-CE2 3.57Å; L18-F34 HydrophobicContact CD1-CZ 4.46Å; L18-F34 HydrophobicContact CG-CD2 4.36Å; L18-F34 HydrophobicContact CG-CE2 4.13Å; L18-F34 PolarHBondContact N-O 3.27Å; L18-F34 WeakPolarHBondContact O-CD1 3.32Å; L18-F34 PolarHBondContact O-N 3.48Å; L18-P36 HydrophobicContact CD1-CG 4.31Å; L18-L59 WeakPolarHBondContact CA-O 3.48Å; L18-L59 HydrophobicContact CD2-CB 3.74Å; L18-L59 HydrophobicContact CD2-CD1 4.13Å; L18-Y61 HydrophobicContact CD2-CE2 4.48Å; L18-F163 HydrophobicContact CD1-CD1 4.46Å; L18-F163 HydrophobicContact CD1-CE1 4.46Å; L18-W166 HydrophobicContact CD1-CB 4.48Å; L18-W166 HydrophobicContact CD1-CG 4.28Å; L18-F167 HydrophobicContact CD1-CE2 3.83Å; L18-F167 HydrophobicContact CD1-CZ 3.77Å
19	K	98.7	Very high	97.3	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.8	174.1	-69.3	-177	179.1	-70.6	0	111.9	V21 D26 V27 D29 T32 T33 L59 F60 Y61	K19-V21 HydrophobicContact CB-CG2 4.08Å; K19-D26 PolarHBondContact NZ-O 3.24Å; K19-V27 WeakPolarHBondContact CE-O 3.47Å; K19-D29 PolarHBondContact NZ-O 3.25Å; K19-T32 PolarHBondContact NZ-OG1 3.29Å; K19-T33 WeakPolarHBondContact CE-OG1 3.49Å; K19-T33 PolarHBondContact NZ-OG1 2.96Å; K19-L59 PolarHBondContact N-O 3.1Å; K19-F60 HydrophobicContact CB-CB 4.19Å; K19-F60 HydrophobicContact CB-CD1 3.66Å; K19-F60 HydrophobicContact CB-CE1 4.22Å; K19-F60 HydrophobicContact CB-CG 3.96Å; K19-F60 HydrophobicContact CD-CD1 3.74Å; K19-F60 HydrophobicContact CD-CD2 3.97Å; K19-F60 HydrophobicContact CD-CE1 3.56Å; K19-F60 HydrophobicContact CD-CE2 3.79Å; K19-F60 HydrophobicContact CD-CG 3.96Å; K19-F60 HydrophobicContact CD-CZ 3.59Å; K19-F60 HydrophobicContact CG-CD1 3.67Å; K19-F60 HydrophobicContact CG-CE1 3.69Å; K19-F60 HydrophobicContact CG-CG 4.25Å; K19-F60 HydrophobicContact CG-CZ 4.25Å; K19-Y61 PolarHBondContact O-N 3.2Å
20	L	98.6	Very high	97.3	Very high	18 Å²	18	46.4 Å²	46.4	9%	0.094	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	103.5	166.7	-60.9	175.1	0	0	0	108.4	F34 Y61 L66 F163 L226 P228 F229	L20-F34 HydrophobicContact CG-CE1 4.05Å; L20-F34 HydrophobicContact CG-CZ 4.19Å; L20-Y61 CarbonylContact C-O 3.52Å; L20-Y61 WeakPolarHBondContact CA-O 3.35Å; L20-L66 HydrophobicContact CD2-CD2 4.09Å; L20-F163 HydrophobicContact CD2-CZ 4.1Å; L20-L226 HydrophobicContact CD1-CB 4.21Å; L20-L226 HydrophobicContact CD1-CD1 3.71Å; L20-L226 HydrophobicContact CD2-CD1 4.18Å; L20-P228 HydrophobicContact CD1-CG 4.35Å; L20-F229 HydrophobicContact CD1-CE2 3.58Å; L20-F229 HydrophobicContact CD1-CZ 4.17Å
21	V	98.2	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.7	-168.8	179.6	0	0	0	0	109.8	K19 F23 D26 V27 F60 Y61 A63 F109 L113	K19-V21 HydrophobicContact CB-CG2 4.08Å; V21-F23 WeakPolarHBondContact CG1-O 3.36Å; V21-D26 HydrophobicContact CB-CB 4.48Å; V21-D26 HydrophobicContact CG1-CB 4.11Å; V21-V27 HydrophobicContact CG1-CG2 3.76Å; V21-V27 HydrophobicContact CG2-CG2 4.28Å; V21-F60 HydrophobicContact CG2-CB 4.3Å; V21-Y61 PolarHBondContact N-O 3.37Å; V21-A63 WeakPolarHBondContact O-CB 3.44Å; V21-A63 PolarHBondContact O-N 3.18Å; V21-F109 HydrophobicContact CB-CE1 4.02Å; V21-F109 HydrophobicContact CB-CZ 4.17Å; V21-F109 HydrophobicContact CG1-CE1 4.04Å; V21-F109 HydrophobicContact CG2-CE1 3.92Å; V21-F109 HydrophobicContact CG2-CZ 4.1Å; V21-L113 HydrophobicContact CG1-CD1 4.3Å; V21-L113 HydrophobicContact CG1-CD2 3.77Å; V21-L113 VanDerWaalsContact O-CD1 3.28Å; V21-L113 WeakPolarHBondContact O-CD1 3.47Å
22	R	96.8	Very high	97	Very high	46 Å²	46	47.7 Å²	47.7	17%	0.174	26%	0.258	C	S	.	.	S	Bend	trans	-98.9	-38.6	173.6	-65	-179.3	-174.1	-162.7	-1.9	111.1	D26 A63 E188 Y190 K192	R22-D26 WeakPolarHBondContact CA-OD2 3.27Å; R22-D26 PolarHBondContact N-OD2 3.46Å; R22-A63 HydrophobicContact CB-CB 4.47Å; R22-A63 HydrophobicContact CG-CB 3.51Å; R22-E188 IonicContact CZ-OE1 3.28Å; R22-E188 IonicContact CZ-OE2 2.74Å; R22-E188 IonicContact NH1-OE1 2.9Å; R22-E188 PolarHBondContact NH1-OE1 3.27Å; R22-E188 IonicContact NH1-OE2 2.84Å; R22-E188 IonicContact NH2-OE1 3.95Å; R22-E188 PolarHBondContact NH2-OE1 3.22Å; R22-E188 IonicContact NH2-OE2 3.53Å; R22-E188 PolarHBondContact NH2-OE2 3.04Å; R22-Y190 HydrophobicContact CB-CE2 4.06Å; R22-Y190 HydrophobicContact CG-CE1 4.47Å; R22-Y190 HydrophobicContact CG-CE2 4.23Å; R22-K192 PolarHBondContact O-NZ 2.72Å
23	F	95.4	Very high	97	Very high	74 Å²	74	49.2 Å²	49.2	33%	0.325	27%	0.267	S	S	.	.	S	Bend	trans	-125.3	152.8	-178.1	-51.1	-85.3	0	0	0	111.1	V21 E25 D26 K192	V21-F23 WeakPolarHBondContact CG1-O 3.36Å; F23-E25 WeakPolarHBondContact CB-OE2 3.36Å; F23-E25 PolarHBondContact O-N 3.12Å; F23-E25 VanDerWaalsContact O-N 3.15Å; F23-D26 PolarHBondContact N-OD2 3.32Å; F23-D26 WeakPolarHBondContact O-CB 3.23Å; F23-D26 PolarHBondContact O-N 2.78Å; F23-K192 HydrophobicContact CD1-CD 4.03Å; F23-K192 HydrophobicContact CD1-CG 4.29Å; F23-K192 HydrophobicContact CE1-CB 4.16Å; F23-K192 HydrophobicContact CE1-CD 3.95Å; F23-K192 HydrophobicContact CE1-CG 3.83Å
24	P	95.5	Very high	97	Very high	51 Å²	51	49 Å²	49	33%	0.331	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-55.6	-30.9	179.9	-25.8	35.8	0	0	0	113.5	D26 V27 L113	P24-D26 VanDerWaalsContact C-N 3.27Å; P24-D26 PolarHBondContact O-N 3.29Å; P24-V27 WeakPolarHBondContact O-CB 3.38Å; P24-V27 WeakPolarHBondContact O-CG2 3.37Å; P24-V27 PolarHBondContact O-N 2.76Å; P24-L113 HydrophobicContact CG-CD2 4.27Å
25	E	95.7	Very high	97.1	Very high	131 Å²	131	46.2 Å²	46.2	61%	0.612	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-66	-29.8	179.8	-55.2	74.5	-155.8	0	0	112.2	F23 V27 E28 D29	F23-E25 WeakPolarHBondContact CB-OE2 3.36Å; F23-E25 PolarHBondContact O-N 3.12Å; F23-E25 VanDerWaalsContact O-N 3.15Å; E25-V27 PolarHBondContact O-N 3.01Å; E25-V27 VanDerWaalsContact O-N 3.14Å; E25-E28 PolarHBondContact O-N 3.1Å; E25-D29 PolarHBondContact O-N 3.32Å; E25-D29 VanDerWaalsContact O-N 3.14Å
26	D	96.6	Very high	97.1	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.139	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.6	-22	180	-52.7	-27.9	0	0	0	112.1	K19 V21 R22 F23 P24 E28 T32	K19-D26 PolarHBondContact NZ-O 3.24Å; V21-D26 HydrophobicContact CB-CB 4.48Å; V21-D26 HydrophobicContact CG1-CB 4.11Å; R22-D26 WeakPolarHBondContact CA-OD2 3.27Å; R22-D26 PolarHBondContact N-OD2 3.46Å; F23-D26 PolarHBondContact N-OD2 3.32Å; F23-D26 WeakPolarHBondContact O-CB 3.23Å; F23-D26 PolarHBondContact O-N 2.78Å; P24-D26 VanDerWaalsContact C-N 3.27Å; P24-D26 PolarHBondContact O-N 3.29Å; D26-E28 VanDerWaalsContact C-N 3.31Å; D26-E28 PolarHBondContact O-N 2.96Å; D26-T32 HydrophobicContact CB-CG2 4.45Å; D26-T32 PolarHBondContact O-OG1 2.95Å
27	V	96.4	Very high	97	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.048	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.3	-38.9	178.6	178	0	0	0	0	111.3	K19 V21 P24 E25 F60 T106 F109	K19-V27 WeakPolarHBondContact CE-O 3.47Å; V21-V27 HydrophobicContact CG1-CG2 3.76Å; V21-V27 HydrophobicContact CG2-CG2 4.28Å; P24-V27 WeakPolarHBondContact O-CB 3.38Å; P24-V27 WeakPolarHBondContact O-CG2 3.37Å; P24-V27 PolarHBondContact O-N 2.76Å; E25-V27 PolarHBondContact O-N 3.01Å; E25-V27 VanDerWaalsContact O-N 3.14Å; V27-F60 HydrophobicContact CG1-CD2 4.3Å; V27-F60 HydrophobicContact CG1-CE2 4.25Å; V27-T106 HydrophobicContact CG1-CG2 3.97Å; V27-F109 HydrophobicContact CG2-CD1 4.33Å; V27-F109 HydrophobicContact CG2-CE1 4.16Å
28	E	95	Very high	97	Very high	146 Å²	146	54 Å²	54	68%	0.682	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-8	-177.3	-57.6	-62.5	146.2	0	0	112.4	E25 D26 D30	E25-E28 PolarHBondContact O-N 3.1Å; D26-E28 VanDerWaalsContact C-N 3.31Å; D26-E28 PolarHBondContact O-N 2.96Å; E28-D30 PolarHBondContact O-N 2.94Å
29	D	96.3	Very high	97	Very high	80 Å²	80	54.1 Å²	54.1	43%	0.428	28%	0.284	S	S	.	.			trans	-82.3	97.3	176.6	-179.1	7.1	0	0	0	111.6	K19 E25 G31 T32	K19-D29 PolarHBondContact NZ-O 3.25Å; E25-D29 PolarHBondContact O-N 3.32Å; E25-D29 VanDerWaalsContact O-N 3.14Å; D29-G31 PolarHBondContact O-N 3.07Å; D29-G31 WeakPolarHBondContact OD1-CA 3.42Å; D29-G31 PolarHBondContact OD1-N 3.07Å; D29-T32 HydrophobicContact CB-CG2 4.35Å; D29-T32 PolarHBondContact O-N 3.03Å; D29-T32 VanDerWaalsContact O-N 3.12Å; D29-T32 PolarHBondContact O-OG1 2.94Å
30	D	94.2	Very high	96.9	Very high	120 Å²	120	56.2 Å²	56.2	64%	0.642	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-55.5	-22.8	176.7	-73.7	-28	0	0	0	114.1	E28 T32 T33	E28-D30 PolarHBondContact O-N 2.94Å; D30-T32 PolarHBondContact O-N 3.42Å; D30-T33 VanDerWaalsContact O-CB 3.29Å; D30-T33 WeakPolarHBondContact O-CB 3.43Å; D30-T33 PolarHBondContact O-N 3.37Å; D30-T33 VanDerWaalsContact O-N 3.11Å; D30-T33 PolarHBondContact O-OG1 2.87Å; D30-T33 VanDerWaalsContact O-OG1 3.07Å
31	G	95.7	Very high	96.8	Very high	69 Å²	69	58.9 Å²	58.9	71%	0.711	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-65.7	-19.3	177.9	0	0	0	0	0	114.4	D29	D29-G31 PolarHBondContact O-N 3.07Å; D29-G31 WeakPolarHBondContact OD1-CA 3.42Å; D29-G31 PolarHBondContact OD1-N 3.07Å
32	T	95.6	Very high	96.7	Very high	43 Å²	43	59.3 Å²	59.3	26%	0.264	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-90.3	-3.3	176.2	63.6	0	0	0	0	113.4	K19 D26 D29 D30	K19-T32 PolarHBondContact NZ-OG1 3.29Å; D26-T32 HydrophobicContact CB-CG2 4.45Å; D26-T32 PolarHBondContact O-OG1 2.95Å; D29-T32 HydrophobicContact CB-CG2 4.35Å; D29-T32 PolarHBondContact O-N 3.03Å; D29-T32 VanDerWaalsContact O-N 3.12Å; D29-T32 PolarHBondContact O-OG1 2.94Å; D30-T32 PolarHBondContact O-N 3.42Å
33	T	98.2	Very high	96.7	Very high	32 Å²	32	58 Å²	58	20%	0.196	30%	0.304	C	S	.	.			trans	-75.2	136.3	-179.3	-51.2	0	0	0	0	110.8	C17 L18 K19 D30	C17-T33 HydrophobicContact CB-CG2 3.72Å; L18-T33 WeakPolarHBondContact O-CA 3.39Å; K19-T33 WeakPolarHBondContact CE-OG1 3.49Å; K19-T33 PolarHBondContact NZ-OG1 2.96Å; D30-T33 VanDerWaalsContact O-CB 3.29Å; D30-T33 WeakPolarHBondContact O-CB 3.43Å; D30-T33 PolarHBondContact O-N 3.37Å; D30-T33 VanDerWaalsContact O-N 3.11Å; D30-T33 PolarHBondContact O-OG1 2.87Å; D30-T33 VanDerWaalsContact O-OG1 3.07Å
34	F	98.6	Very high	96.8	Very high	20 Å²	20	56.1 Å²	56.1	9%	0.088	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-130.4	164.9	167.1	60.7	-83.7	0	0	0	110.1	L18 L20 F163 F167 P227 P228	L18-F34 WeakPolarHBondContact CA-O 3.29Å; L18-F34 HydrophobicContact CB-CD1 4.33Å; L18-F34 HydrophobicContact CB-CD2 3.7Å; L18-F34 HydrophobicContact CB-CE1 4.06Å; L18-F34 HydrophobicContact CB-CE2 3.41Å; L18-F34 VanDerWaalsContact CB-CE2 3.41Å; L18-F34 HydrophobicContact CB-CG 4.17Å; L18-F34 HydrophobicContact CB-CZ 3.61Å; L18-F34 WeakPolarHBondContact CB-O 3.47Å; L18-F34 HydrophobicContact CD1-CD2 3.91Å; L18-F34 HydrophobicContact CD1-CE2 3.57Å; L18-F34 HydrophobicContact CD1-CZ 4.46Å; L18-F34 HydrophobicContact CG-CD2 4.36Å; L18-F34 HydrophobicContact CG-CE2 4.13Å; L18-F34 PolarHBondContact N-O 3.27Å; L18-F34 WeakPolarHBondContact O-CD1 3.32Å; L18-F34 PolarHBondContact O-N 3.48Å; L20-F34 HydrophobicContact CG-CE1 4.05Å; L20-F34 HydrophobicContact CG-CZ 4.19Å; F34-F163 HydrophobicContact CE2-CE1 4.21Å; F34-F163 HydrophobicContact CZ-CE1 4.02Å; F34-F167 HydrophobicContact CD2-CE2 4.49Å; F34-F167 AromaticContact CD2-CZ 3.91Å; F34-F167 HydrophobicContact CD2-CZ 3.91Å; F34-F167 HydrophobicContact CE2-CE2 4.12Å; F34-F167 AromaticContact CE2-CZ 4Å; F34-F167 HydrophobicContact CE2-CZ 4Å; F34-P227 HydrophobicContact CB-CB 4.29Å; F34-P227 HydrophobicContact CD2-CB 3.95Å; F34-P227 HydrophobicContact CD2-CG 3.58Å; F34-P227 HydrophobicContact CE2-CG 3.92Å; F34-P227 HydrophobicContact CG-CB 4.2Å; F34-P227 HydrophobicContact CG-CG 4.33Å; F34-P228 HydrophobicContact CD1-CG 3.7Å; F34-P228 HydrophobicContact CE1-CG 3.81Å; F34-P228 HydrophobicContact CG-CG 4.39Å
35	H	98.6	Very high	96.8	Very high	84 Å²	84	60.9 Å²	60.9	39%	0.389	33%	0.328	S	S	.	.			trans	-124.7	152.8	-168.1	-67.3	-80.9	0	0	0	111	N13 E14 T16 F167	N13-H35 WeakPolarHBondContact O-CB 3.23Å; N13-H35 PolarHBondContact O-ND1 3.17Å; E14-H35 PolarHBondContact O-CE1 3.03Å; E14-H35 PolarHBondContact O-ND1 3.18Å; T16-H35 PolarHBondContact O-ND1 3.23Å; H35-F167 VanDerWaalsContact O-CE1 3.29Å; H35-F167 WeakPolarHBondContact O-CE1 3.41Å; H35-F167 WeakPolarHBondContact O-CZ 3.34Å
36	P	98.4	Very high	96.9	Very high	10 Å²	10	61.6 Å²	61.6	7%	0.065	34%	0.336	C	S	.	.			trans	-56.4	148.5	169.5	-25.2	35.5	0	0	0	113	T16 L18 Y38 W166	T16-P36 HydrophobicContact CG2-CG 3.74Å; T16-P36 WeakPolarHBondContact O-CD 3.39Å; L18-P36 HydrophobicContact CD1-CG 4.31Å; P36-Y38 WeakPolarHBondContact CB-O 3.19Å; P36-W166 HydrophobicContact CB-CB 3.84Å; P36-W166 HydrophobicContact CB-CD2 4.27Å; P36-W166 HydrophobicContact CB-CE3 3.94Å; P36-W166 HydrophobicContact CB-CG 4.26Å; P36-W166 HydrophobicContact CG-CB 4.2Å; P36-W166 HydrophobicContact CG-CD2 3.97Å; P36-W166 HydrophobicContact CG-CE3 3.83Å; P36-W166 HydrophobicContact CG-CG 4.13Å
37	E	97.8	Very high	96.9	Very high	109 Å²	109	62 Å²	62	51%	0.509	34%	0.338	S	S	.	.	S	Bend	trans	-85.6	-27.6	162.4	-74.5	-176.7	155.1	0	0	111.4	W166 F167	E37-W166 PolarHBondContact N-O 3.02Å; E37-F167 HydrophobicContact CB-CD1 4.25Å; E37-F167 HydrophobicContact CG-CD1 4.04Å; E37-F167 HydrophobicContact CG-CE1 4.35Å
38	Y	98	Very high	97	Very high	66 Å²	66	64 Å²	64	26%	0.259	35%	0.349	S	S	.	.			trans	-135.4	141.9	-177.1	-56	-77	0	0	0	110.3	P36 H40 E47 W166 E169	P36-Y38 WeakPolarHBondContact CB-O 3.19Å; Y38-H40 AromaticContact CD1-CE1 3.8Å; Y38-H40 AromaticContact CD1-ND1 3.9Å; Y38-E47 WeakPolarHBondContact CA-OE1 3.16Å; Y38-W166 PolarHBondContact N-O 2.79Å; Y38-W166 WeakPolarHBondContact O-CA 3.36Å; Y38-E169 HydrophobicContact CD1-CB 4.21Å; Y38-E169 HydrophobicContact CD1-CG 4.17Å; Y38-E169 HydrophobicContact CD2-CB 4.48Å; Y38-E169 HydrophobicContact CE1-CB 3.81Å; Y38-E169 HydrophobicContact CE1-CG 3.83Å; Y38-E169 HydrophobicContact CE2-CB 4.14Å
39	S	97.9	Very high	97.1	Very high	1 Å²	1	57 Å²	57	1%	0.007	32%	0.317	C	S	.	.			trans	-144.2	0.5	170.9	63.9	0	0	0	0	112.4	T12 N13 Q41 L42 F43 E47	T12-S39 PolarHBondContact OG1-OG 3.45Å; N13-S39 WeakPolarHBondContact OD1-CB 3.48Å; N13-S39 PolarHBondContact OD1-N 2.99Å; N13-S39 PolarHBondContact OD1-OG 3.17Å; S39-Q41 PolarHBondContact O-N 3.44Å; S39-Q41 VanDerWaalsContact O-N 3.16Å; S39-L42 PolarHBondContact O-N 2.89Å; S39-F43 PolarHBondContact O-N 2.95Å; S39-E47 PolarHBondContact N-OE1 3.49Å; S39-E47 WeakPolarHBondContact OG-CB 3.39Å
40	H	97.6	Very high	97.2	Very high	46 Å²	46	55.4 Å²	55.4	21%	0.213	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-30.8	-177.4	63.8	-84.1	0	0	0	114.4	Y38 L42 G44 E47 E169	Y38-H40 AromaticContact CD1-CE1 3.8Å; Y38-H40 AromaticContact CD1-ND1 3.9Å; H40-L42 PolarHBondContact O-N 3.14Å; H40-G44 WeakPolarHBondContact CA-O 3.42Å; H40-G44 WeakPolarHBondContact CB-O 3.41Å; H40-G44 CarbonylContact O-C 3.49Å; H40-G44 WeakPolarHBondContact O-CA 3.25Å; H40-G44 PolarHBondContact O-N 3.35Å; H40-E47 HydrophobicContact CB-CG 3.75Å; H40-E47 IonicContact CG-OE1 2.66Å; H40-E47 PolarHBondContact N-OE1 3.35Å; H40-E47 IonicContact ND1-OE1 2.83Å; H40-E47 PolarHBondContact ND1-OE1 3.33Å; H40-E169 PolarHBondContact CE1-O 3.16Å; H40-E169 PolarHBondContact NE2-O 3.08Å; H40-E169 VanDerWaalsContact NE2-O 3.16Å
41	Q	96.4	Very high	97.3	Very high	74 Å²	74	49.7 Å²	49.7	35%	0.346	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-25.8	176.1	-62.3	-162.9	17	0	0	112.7	S39 M165 E169 A171	S39-Q41 PolarHBondContact O-N 3.44Å; S39-Q41 VanDerWaalsContact O-N 3.16Å; Q41-M165 HydrophobicContact CB-CE 4.09Å; Q41-E169 PolarHBondContact NE2-O 2.75Å; Q41-A171 PolarHBondContact NE2-O 2.63Å; Q41-A171 PolarHBondContact OE1-O 2.86Å
42	L	96.4	Very high	97.3	Very high	10 Å²	10	47 Å²	47	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-101.4	-42.4	178	-82.5	80.8	0	0	0	112.3	S39 H40 K93 I94 I97 M165 W166	S39-L42 PolarHBondContact O-N 2.89Å; H40-L42 PolarHBondContact O-N 3.14Å; L42-K93 WeakPolarHBondContact CD2-O 3.16Å; L42-K93 WeakPolarHBondContact O-CD 3.42Å; L42-K93 PolarHBondContact O-NZ 3.19Å; L42-I94 HydrophobicContact CD2-CD1 4Å; L42-I97 HydrophobicContact CD1-CD1 3.89Å; L42-I97 HydrophobicContact CD1-CG2 4.08Å; L42-I97 HydrophobicContact CD2-CD1 3.44Å; L42-I97 VanDerWaalsContact CD2-CD1 3.44Å; L42-I97 HydrophobicContact CD2-CG1 3.83Å; L42-I97 HydrophobicContact CD2-CG2 4.25Å; L42-I97 HydrophobicContact CG-CD1 4.28Å; L42-I97 HydrophobicContact CG-CG2 4.36Å; L42-M165 HydrophobicContact CD1-CB 4.46Å; L42-M165 HydrophobicContact CD1-CE 4.1Å; L42-W166 HydrophobicContact CD1-CZ3 4.48Å; L42-W166 HydrophobicContact CD2-CH2 3.93Å; L42-W166 HydrophobicContact CD2-CZ3 4.49Å
43	F	97.3	Very high	97.3	Very high	18 Å²	18	48.6 Å²	48.6	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-109.8	9.7	-169.7	-60.5	-77.2	0	0	0	113.9	T12 S39 A49 I57 V90 K93 I94	T12-F43 HydrophobicContact CG2-CB 4.14Å; T12-F43 HydrophobicContact CG2-CD1 3.88Å; T12-F43 HydrophobicContact CG2-CD2 3.87Å; T12-F43 HydrophobicContact CG2-CE1 4.23Å; T12-F43 HydrophobicContact CG2-CE2 4.22Å; T12-F43 HydrophobicContact CG2-CG 3.69Å; T12-F43 HydrophobicContact CG2-CZ 4.39Å; S39-F43 PolarHBondContact O-N 2.95Å; F43-A49 HydrophobicContact CD1-CB 4.39Å; F43-I57 HydrophobicContact CZ-CD1 4.06Å; F43-V90 HydrophobicContact CE1-CG1 4.37Å; F43-V90 HydrophobicContact CE1-CG2 4.33Å; F43-V90 HydrophobicContact CZ-CG1 4.35Å; F43-K93 HydrophobicContact CD1-CD 3.79Å; F43-K93 HydrophobicContact CE1-CB 4.28Å; F43-K93 HydrophobicContact CE1-CD 3.72Å; F43-K93 HydrophobicContact CZ-CB 4.46Å; F43-I94 HydrophobicContact CE2-CD1 4.19Å; F43-I94 HydrophobicContact CZ-CD1 4.02Å; F43-I94 HydrophobicContact CZ-CG1 4.42Å
44	G	96.4	Very high	97.2	Very high	35 Å²	35	49.6 Å²	49.6	36%	0.361	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	171.8	179.2	0	0	0	0	0	113.1	H40 D46 E47	H40-G44 WeakPolarHBondContact CA-O 3.42Å; H40-G44 WeakPolarHBondContact CB-O 3.41Å; H40-G44 CarbonylContact O-C 3.49Å; H40-G44 WeakPolarHBondContact O-CA 3.25Å; H40-G44 PolarHBondContact O-N 3.35Å; G44-D46 PolarHBondContact O-N 2.88Å; G44-E47 PolarHBondContact O-N 3.37Å
45	D	96.3	Very high	97.2	Very high	151 Å²	151	49.2 Å²	49.2	81%	0.807	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.6	-171.2	-60.8	-23.2	0	0	0	114.7	E47	D45-E47 VanDerWaalsContact C-N 3.32Å
46	D	96.7	Very high	97.1	Very high	145 Å²	145	47.9 Å²	47.9	78%	0.775	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.3	177.8	-71	-26.5	0	0	0	113	G44 V48	G44-D46 PolarHBondContact O-N 2.88Å; D46-V48 WeakPolarHBondContact O-CG2 3.44Å; D46-V48 PolarHBondContact O-N 3.38Å
47	E	97.8	Very high	97.2	Very high	36 Å²	36	47.4 Å²	47.4	17%	0.168	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	37.7	179.4	-61.3	-170.8	135.5	0	0	113.3	T12 N13 Y38 S39 H40 G44 D45	T12-E47 PolarHBondContact N-O 3.08Å; T12-E47 PolarHBondContact OG1-O 3.48Å; N13-E47 PolarHBondContact ND2-OE2 3.31Å; Y38-E47 WeakPolarHBondContact CA-OE1 3.16Å; S39-E47 PolarHBondContact N-OE1 3.49Å; S39-E47 WeakPolarHBondContact OG-CB 3.39Å; H40-E47 HydrophobicContact CB-CG 3.75Å; H40-E47 IonicContact CG-OE1 2.66Å; H40-E47 PolarHBondContact N-OE1 3.35Å; H40-E47 IonicContact ND1-OE1 2.83Å; H40-E47 PolarHBondContact ND1-OE1 3.33Å; G44-E47 PolarHBondContact O-N 3.37Å; D45-E47 VanDerWaalsContact C-N 3.32Å
48	V	97.9	Very high	97.2	Very high	49 Å²	49	42.8 Å²	42.8	30%	0.297	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.6	-175.4	165.1	0	0	0	0	111.5	K9 C10 D46	K9-V48 HydrophobicContact CB-CG1 3.9Å; K9-V48 HydrophobicContact CD-CG1 4.46Å; K9-V48 HydrophobicContact CG-CG1 4.21Å; C10-V48 CarbonylContact O-C 3.58Å; C10-V48 VanDerWaalsContact O-CA 3.3Å; C10-V48 WeakPolarHBondContact O-CA 3.29Å; D46-V48 WeakPolarHBondContact O-CG2 3.44Å; D46-V48 PolarHBondContact O-N 3.38Å
49	A	97.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.3	165.6	0	0	0	0	0	110	C10 T12 F43 L55 V90	C10-A49 PolarHBondContact N-O 3.08Å; C10-A49 PolarHBondContact O-N 2.94Å; T12-A49 HydrophobicContact CG2-CB 3.49Å; T12-A49 VanDerWaalsContact CG2-CB 3.49Å; F43-A49 HydrophobicContact CD1-CB 4.39Å; A49-L55 HydrophobicContact CB-CD2 3.73Å; A49-V90 HydrophobicContact CB-CG2 3.92Å
50	F	97.2	Very high	97.2	Very high	45 Å²	45	39.8 Å²	39.8	20%	0.197	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	144.7	178.2	176.6	-106	0	0	0	112.5	L5 Y8 K9 V78 V85 D88	L5-F50 HydrophobicContact CB-CE2 4.45Å; L5-F50 HydrophobicContact CD2-CZ 4.39Å; Y8-F50 CarbonylContact O-C 3.4Å; Y8-F50 WeakPolarHBondContact O-CA 3.17Å; K9-F50 HydrophobicContact CG-CD2 3.89Å; F50-V78 HydrophobicContact CE1-CG1 4.42Å; F50-V78 HydrophobicContact CZ-CG2 4.34Å; F50-V85 HydrophobicContact CE1-CG1 3.46Å; F50-V85 VanDerWaalsContact CE1-CG1 3.46Å; F50-V85 HydrophobicContact CZ-CG1 3.64Å; F50-D88 PolarHBondContact N-OD2 3.26Å; F50-D88 PolarHBondContact O-N 2.66Å
51	G	96.3	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	102.9	8.2	169.2	0	0	0	0	0	115	Y8 K77 V78	Y8-G51 PolarHBondContact O-N 2.8Å; G51-K77 CarbonylContact O-C 3.57Å; G51-K77 WeakPolarHBondContact O-CA 3.29Å; G51-K77 WeakPolarHBondContact O-CG 3.5Å; G51-V78 VanDerWaalsContact CA-CG1 3.47Å; G51-V78 PolarHBondContact O-N 2.75Å
52	Y	96.7	Very high	97.4	Very high	12 Å²	12	34.1 Å²	34.1	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.3	-178	-57.9	-88	0	0	0	111.1	Y8 C10 L55 Y74 K77 A87 D88 V90	Y8-Y52 CarbonylContact C-O 3.5Å; Y8-Y52 VanDerWaalsContact CA-O 3.25Å; Y8-Y52 WeakPolarHBondContact CA-O 3.44Å; Y8-Y52 PolarHBondContact O-N 2.61Å; C10-Y52 PolarHBondContact SG-O 3.17Å; Y52-L55 HydrophobicContact CD1-CD1 4.1Å; Y52-L55 HydrophobicContact CD2-CD1 4.36Å; Y52-L55 HydrophobicContact CD2-CD2 4.36Å; Y52-L55 HydrophobicContact CG-CD1 3.88Å; Y52-L55 HydrophobicContact CG-CD2 4.48Å; Y52-Y74 AromaticContact CD1-CD1 3.5Å; Y52-Y74 HydrophobicContact CD1-CD1 3.5Å; Y52-Y74 VanDerWaalsContact CD1-CD1 3.5Å; Y52-Y74 HydrophobicContact CD1-CD2 4.42Å; Y52-Y74 AromaticContact CD1-CE1 3.96Å; Y52-Y74 HydrophobicContact CD1-CE1 3.96Å; Y52-Y74 AromaticContact CD1-CG 3.76Å; Y52-Y74 HydrophobicContact CD1-CG 3.76Å; Y52-Y74 AromaticContact CE1-CD1 3.8Å; Y52-Y74 HydrophobicContact CE1-CD1 3.8Å; Y52-Y74 AromaticContact CE1-CE1 3.8Å; Y52-Y74 HydrophobicContact CE1-CE1 3.8Å; Y52-Y74 HydrophobicContact CE1-CG 4.44Å; Y52-K77 HydrophobicContact CD1-CG 4.26Å; Y52-K77 HydrophobicContact CE1-CD 3.99Å; Y52-K77 HydrophobicContact CE1-CG 4.08Å; Y52-K77 WeakPolarHBondContact OH-CE 3.49Å; Y52-K77 PolarHBondContact OH-NZ 2.97Å; Y52-A87 HydrophobicContact CD2-CB 4.48Å; Y52-A87 HydrophobicContact CE2-CB 3.81Å; Y52-D88 VanDerWaalsContact CE2-O 3.24Å; Y52-D88 WeakPolarHBondContact CE2-O 3.18Å; Y52-D88 PolarHBondContact OH-O 2.85Å; Y52-V90 HydrophobicContact CD2-CG2 4.08Å; Y52-V90 HydrophobicContact CE2-CB 4.46Å; Y52-V90 HydrophobicContact CE2-CG2 3.57Å
53	K	95.4	Very high	97.5	Very high	78 Å²	78	33.7 Å²	33.7	34%	0.339	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.2	170.7	-173.3	173.2	178.5	167.1	0	110.3	E7 Y8 L55 S75 S76	E7-K53 IonicContact OE2-NZ 3.33Å; E7-K53 PolarHBondContact OE2-NZ 3.29Å; Y8-K53 HydrophobicContact CD1-CB 4.31Å; Y8-K53 HydrophobicContact CE1-CB 4.15Å; K53-L55 VanDerWaalsContact C-N 3.33Å; K53-S75 PolarHBondContact O-N 3.02Å; K53-S75 PolarHBondContact O-OG 3.42Å; K53-S76 WeakPolarHBondContact CB-OG 3.28Å; K53-S76 PolarHBondContact N-O 2.86Å
54	G	95.5	Very high	97.5	Very high	53 Å²	53	32.9 Å²	32.9	55%	0.546	19%	0.188	S	C	.	.	S	Bend	trans	61.2	44.1	-176.3	0	0	0	0	0	111.4
55	L	98.2	Very high	97.5	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.063	18%	0.182	C	C	.	.			trans	-61.9	134.8	178.1	-178.5	62.4	0	0	0	110.1	C10 A15 A49 Y52 K53 I57 V72 K73 V90	C10-L55 HydrophobicContact CB-CB 3.89Å; C10-L55 HydrophobicContact CB-CD2 4.16Å; C10-L55 VanDerWaalsContact SG-CB 3.6Å; A15-L55 HydrophobicContact CB-CB 4.25Å; A15-L55 HydrophobicContact CB-CD2 4.26Å; A15-L55 HydrophobicContact CB-CG 4.14Å; A15-L55 WeakPolarHBondContact CB-O 3.36Å; A49-L55 HydrophobicContact CB-CD2 3.73Å; Y52-L55 HydrophobicContact CD1-CD1 4.1Å; Y52-L55 HydrophobicContact CD2-CD1 4.36Å; Y52-L55 HydrophobicContact CD2-CD2 4.36Å; Y52-L55 HydrophobicContact CG-CD1 3.88Å; Y52-L55 HydrophobicContact CG-CD2 4.48Å; K53-L55 VanDerWaalsContact C-N 3.33Å; L55-I57 HydrophobicContact CD1-CG1 4.34Å; L55-I57 HydrophobicContact CD2-CD1 4.22Å; L55-I57 HydrophobicContact CD2-CG1 4.33Å; L55-I57 HydrophobicContact CG-CG1 4.17Å; L55-V72 HydrophobicContact CD1-CG1 3.64Å; L55-K73 CarbonylContact C-O 3.56Å; L55-K73 WeakPolarHBondContact CA-O 3.13Å; L55-V90 HydrophobicContact CD2-CG2 4.25Å
56	Q	98.1	Very high	97.7	Very high	55 Å²	55	26 Å²	26	26%	0.257	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118.2	170.3	-167.3	-175.4	33.1	0	0	109.1	A15 C17 Q58 V72 K73	A15-Q56 CarbonylContact O-C 3.52Å; A15-Q56 WeakPolarHBondContact O-CA 3.47Å; C17-Q56 VanDerWaalsContact SG-CG 3.59Å; C17-Q56 PolarHBondContact SG-NE2 3.43Å; C17-Q56 VanDerWaalsContact SG-NE2 3.44Å; Q56-Q58 HydrophobicContact CG-CG 3.93Å; Q56-Q58 VanDerWaalsContact OE1-NE2 3.15Å; Q56-V72 WeakPolarHBondContact O-CA 3.32Å; Q56-K73 HydrophobicContact CB-CB 4.28Å; Q56-K73 PolarHBondContact N-O 3.31Å; Q56-K73 PolarHBondContact O-N 3.13Å
57	I	98.6	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	98.2	176.4	-54.8	168.3	0	0	0	106.5	A15 T16 C17 F43 L55 F70 V90 I94	A15-I57 PolarHBondContact O-N 3.24Å; T16-I57 CarbonylContact C-O 3.49Å; T16-I57 WeakPolarHBondContact CA-O 3.34Å; C17-I57 PolarHBondContact N-O 3.41Å; F43-I57 HydrophobicContact CZ-CD1 4.06Å; L55-I57 HydrophobicContact CD1-CG1 4.34Å; L55-I57 HydrophobicContact CD2-CD1 4.22Å; L55-I57 HydrophobicContact CD2-CG1 4.33Å; L55-I57 HydrophobicContact CG-CG1 4.17Å; I57-F70 HydrophobicContact CG2-CE2 4.07Å; I57-V90 HydrophobicContact CD1-CG1 3.43Å; I57-V90 VanDerWaalsContact CD1-CG1 3.43Å; I57-V90 HydrophobicContact CG1-CG1 3.7Å; I57-I94 HydrophobicContact CG2-CD1 4.1Å; I57-I94 HydrophobicContact CG2-CG1 3.97Å
58	Q	98.5	Very high	97.8	Very high	13 Å²	13	18.7 Å²	18.7	6%	0.061	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.3	-178.5	-57.4	-171.2	-44.4	0	0	109.9	Q56 F60 F70 K71	Q56-Q58 HydrophobicContact CG-CG 3.93Å; Q56-Q58 VanDerWaalsContact OE1-NE2 3.15Å; Q58-F60 HydrophobicContact CB-CD1 4.34Å; Q58-F60 HydrophobicContact CB-CE1 3.86Å; Q58-F60 HydrophobicContact CB-CZ 3.95Å; Q58-F60 HydrophobicContact CG-CE1 4.24Å; Q58-F60 HydrophobicContact CG-CZ 4Å; Q58-F70 WeakPolarHBondContact O-CA 3.45Å; Q58-K71 HydrophobicContact CB-CB 4.23Å; Q58-K71 PolarHBondContact N-O 3.23Å; Q58-K71 PolarHBondContact O-N 2.86Å
59	L	98.6	Very high	97.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	89.9	171.1	-75.7	171	0	0	0	108.3	T16 C17 L18 K19 Y61 T68 L69 F70 I94 I98 W166	T16-L59 HydrophobicContact CG2-CD1 4.39Å; C17-L59 PolarHBondContact O-N 3.21Å; L18-L59 WeakPolarHBondContact CA-O 3.48Å; L18-L59 HydrophobicContact CD2-CB 3.74Å; L18-L59 HydrophobicContact CD2-CD1 4.13Å; K19-L59 PolarHBondContact N-O 3.1Å; L59-Y61 HydrophobicContact CB-CE2 3.85Å; L59-Y61 WeakPolarHBondContact O-CD2 2.72Å; L59-Y61 VanDerWaalsContact O-CE2 3.23Å; L59-Y61 WeakPolarHBondContact O-CE2 3.49Å; L59-T68 HydrophobicContact CD2-CG2 4.3Å; L59-L69 WeakPolarHBondContact CA-O 3.44Å; L59-F70 HydrophobicContact CD2-CB 4.01Å; L59-F70 HydrophobicContact CD2-CD2 3.72Å; L59-F70 HydrophobicContact CD2-CG 4.11Å; L59-F70 HydrophobicContact CG-CD2 4.35Å; L59-I94 HydrophobicContact CD1-CG2 4.24Å; L59-I94 HydrophobicContact CD2-CG2 4.05Å; L59-I98 HydrophobicContact CD2-CD1 4.38Å; L59-I98 HydrophobicContact CD2-CG2 4.18Å; L59-W166 HydrophobicContact CD1-CZ2 3.82Å
60	F	98.6	Very high	97.8	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.4	-179	-54.4	-14.8	0	0	0	109.7	C17 K19 V21 V27 Q58 T68 L69 F109	C17-F60 HydrophobicContact CB-CE1 4.17Å; K19-F60 HydrophobicContact CB-CB 4.19Å; K19-F60 HydrophobicContact CB-CD1 3.66Å; K19-F60 HydrophobicContact CB-CE1 4.22Å; K19-F60 HydrophobicContact CB-CG 3.96Å; K19-F60 HydrophobicContact CD-CD1 3.74Å; K19-F60 HydrophobicContact CD-CD2 3.97Å; K19-F60 HydrophobicContact CD-CE1 3.56Å; K19-F60 HydrophobicContact CD-CE2 3.79Å; K19-F60 HydrophobicContact CD-CG 3.96Å; K19-F60 HydrophobicContact CD-CZ 3.59Å; K19-F60 HydrophobicContact CG-CD1 3.67Å; K19-F60 HydrophobicContact CG-CE1 3.69Å; K19-F60 HydrophobicContact CG-CG 4.25Å; K19-F60 HydrophobicContact CG-CZ 4.25Å; V21-F60 HydrophobicContact CG2-CB 4.3Å; V27-F60 HydrophobicContact CG1-CD2 4.3Å; V27-F60 HydrophobicContact CG1-CE2 4.25Å; Q58-F60 HydrophobicContact CB-CD1 4.34Å; Q58-F60 HydrophobicContact CB-CE1 3.86Å; Q58-F60 HydrophobicContact CB-CZ 3.95Å; Q58-F60 HydrophobicContact CG-CE1 4.24Å; Q58-F60 HydrophobicContact CG-CZ 4Å; F60-T68 CarbonylContact O-C 3.46Å; F60-T68 WeakPolarHBondContact O-CA 3.42Å; F60-L69 HydrophobicContact CB-CB 4.16Å; F60-L69 HydrophobicContact CB-CD2 4.31Å; F60-L69 HydrophobicContact CD2-CD2 3.7Å; F60-L69 HydrophobicContact CE2-CD2 4.4Å; F60-L69 HydrophobicContact CG-CD2 4.27Å; F60-L69 PolarHBondContact N-O 2.9Å; F60-L69 PolarHBondContact O-N 3.38Å; F60-F109 HydrophobicContact CB-CE1 4.41Å; F60-F109 HydrophobicContact CB-CZ 4.08Å; F60-F109 WeakPolarHBondContact O-CE2 3.48Å
61	Y	98.8	Very high	97.8	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.5	-174.7	-60.1	-96.9	0	0	0	109.2	L18 K19 L20 V21 L59 L66 S67 T68 F163	L18-Y61 HydrophobicContact CD2-CE2 4.48Å; K19-Y61 PolarHBondContact O-N 3.2Å; L20-Y61 CarbonylContact C-O 3.52Å; L20-Y61 WeakPolarHBondContact CA-O 3.35Å; V21-Y61 PolarHBondContact N-O 3.37Å; L59-Y61 HydrophobicContact CB-CE2 3.85Å; L59-Y61 WeakPolarHBondContact O-CD2 2.72Å; L59-Y61 VanDerWaalsContact O-CE2 3.23Å; L59-Y61 WeakPolarHBondContact O-CE2 3.49Å; Y61-L66 HydrophobicContact CD1-CB 4.16Å; Y61-L66 WeakPolarHBondContact CD1-O 3.42Å; Y61-S67 CarbonylContact C-O 3.52Å; Y61-S67 WeakPolarHBondContact CA-O 3.44Å; Y61-T68 HydrophobicContact CD1-CG2 4.05Å; Y61-T68 HydrophobicContact CE1-CG2 3.65Å; Y61-T68 WeakPolarHBondContact CE1-OG1 3.49Å; Y61-F163 HydrophobicContact CD1-CE2 4.08Å; Y61-F163 HydrophobicContact CD1-CZ 4.1Å; Y61-F163 HydrophobicContact CD2-CE1 4.14Å; Y61-F163 HydrophobicContact CD2-CE2 4.23Å; Y61-F163 AromaticContact CD2-CZ 3.43Å; Y61-F163 HydrophobicContact CD2-CZ 3.43Å; Y61-F163 VanDerWaalsContact CD2-CZ 3.43Å; Y61-F163 HydrophobicContact CE1-CE2 4.06Å; Y61-F163 HydrophobicContact CE1-CZ 4.17Å; Y61-F163 AromaticContact CE2-CE1 3.95Å; Y61-F163 HydrophobicContact CE2-CE1 3.95Å; Y61-F163 HydrophobicContact CE2-CE2 4.2Å; Y61-F163 AromaticContact CE2-CZ 3.51Å; Y61-F163 HydrophobicContact CE2-CZ 3.51Å; Y61-F163 HydrophobicContact CG-CE2 4.17Å; Y61-F163 AromaticContact CG-CZ 3.74Å; Y61-F163 HydrophobicContact CG-CZ 3.74Å; Y61-F163 AromaticContact CZ-CZ 3.9Å
62	T	98.5	Very high	97.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	139	165.6	65.5	0	0	0	0	109.1	G64 L66 S67 F109 L113 E116	T62-G64 VanDerWaalsContact C-N 3.28Å; T62-G64 PolarHBondContact O-N 3.11Å; T62-L66 WeakPolarHBondContact O-CA 3.25Å; T62-L66 PolarHBondContact O-N 3.13Å; T62-L66 PolarHBondContact OG1-N 3.44Å; T62-S67 PolarHBondContact N-O 3.33Å; T62-S67 PolarHBondContact OG1-N 3.42Å; T62-S67 VanDerWaalsContact OG1-N 3.07Å; T62-F109 HydrophobicContact CG2-CE2 3.94Å; T62-F109 HydrophobicContact CG2-CZ 4.01Å; T62-L113 HydrophobicContact CG2-CB 4.26Å; T62-L113 HydrophobicContact CG2-CD1 4.02Å; T62-E116 VanDerWaalsContact CB-OE1 3.27Å; T62-E116 WeakPolarHBondContact CB-OE1 3.36Å; T62-E116 WeakPolarHBondContact CB-OE2 3.45Å; T62-E116 PolarHBondContact OG1-OE1 3.32Å; T62-E116 PolarHBondContact OG1-OE2 2.77Å
63	A	98.1	Very high	97.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.3	-164.7	0	0	0	0	0	114.2	V21 R22 A199 T200	V21-A63 WeakPolarHBondContact O-CB 3.44Å; V21-A63 PolarHBondContact O-N 3.18Å; R22-A63 HydrophobicContact CB-CB 4.47Å; R22-A63 HydrophobicContact CG-CB 3.51Å; A63-A199 HydrophobicContact CB-CB 3.87Å; A63-A199 CarbonylContact O-C 3.57Å; A63-A199 WeakPolarHBondContact O-CA 3.41Å; A63-T200 PolarHBondContact O-N 3.4Å
64	G	97.9	Very high	98	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-73.7	-180	0	0	0	0	0	113.2	T62 L66 E116 F119 Y156 Y198 T200	T62-G64 VanDerWaalsContact C-N 3.28Å; T62-G64 PolarHBondContact O-N 3.11Å; G64-L66 PolarHBondContact O-N 2.88Å; G64-E116 VanDerWaalsContact C-OE1 3.32Å; G64-E116 WeakPolarHBondContact CA-OE1 3.32Å; G64-E116 PolarHBondContact N-OE1 2.98Å; G64-F119 WeakPolarHBondContact O-CZ 3.48Å; G64-Y156 WeakPolarHBondContact O-CE2 3.4Å; G64-Y198 WeakPolarHBondContact CA-O 3.36Å; G64-T200 PolarHBondContact O-OG1 3.04Å
65	N	97.2	Very high	98	Very high	43 Å²	43	24.3 Å²	24.3	23%	0.23	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.9	-173.5	-169.9	49.3	0	0	0	113.3	S67 E116 F119 R159	N65-S67 PolarHBondContact ND2-OG 3.17Å; N65-S67 PolarHBondContact O-N 3.37Å; N65-E116 WeakPolarHBondContact CB-OE2 3.44Å; N65-E116 PolarHBondContact N-OE1 2.91Å; N65-F119 HydrophobicContact CB-CB 4.3Å; N65-F119 HydrophobicContact CB-CD2 3.7Å; N65-F119 HydrophobicContact CB-CE2 4.28Å; N65-F119 HydrophobicContact CB-CG 4.09Å; N65-R159 PolarHBondContact ND2-NH2 3.23Å; N65-R159 VanDerWaalsContact O-CZ 3.27Å; N65-R159 PolarHBondContact O-NE 3.43Å; N65-R159 PolarHBondContact O-NH2 2.89Å; N65-R159 PolarHBondContact OD1-NH2 3.06Å
66	L	98.6	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.			trans	59.8	26.7	-177.7	-52	174.6	0	0	0	113.2	L20 Y61 T62 G64 T68 Y156 R159 L160 F163 T200	L20-L66 HydrophobicContact CD2-CD2 4.09Å; Y61-L66 HydrophobicContact CD1-CB 4.16Å; Y61-L66 WeakPolarHBondContact CD1-O 3.42Å; T62-L66 WeakPolarHBondContact O-CA 3.25Å; T62-L66 PolarHBondContact O-N 3.13Å; T62-L66 PolarHBondContact OG1-N 3.44Å; G64-L66 PolarHBondContact O-N 2.88Å; L66-T68 PolarHBondContact O-N 2.95Å; L66-T68 PolarHBondContact O-OG1 2.64Å; L66-T68 VanDerWaalsContact O-OG1 3.08Å; L66-Y156 HydrophobicContact CD1-CD2 4.27Å; L66-Y156 HydrophobicContact CD1-CE2 3.65Å; L66-Y156 HydrophobicContact CG-CD2 4.47Å; L66-Y156 HydrophobicContact CG-CE2 3.89Å; L66-R159 HydrophobicContact CB-CB 4.08Å; L66-R159 WeakPolarHBondContact O-CD 3.4Å; L66-R159 PolarHBondContact O-NE 2.83Å; L66-L160 HydrophobicContact CD1-CB 3.72Å; L66-L160 HydrophobicContact CD1-CD1 3.83Å; L66-L160 HydrophobicContact CD1-CG 4.29Å; L66-F163 HydrophobicContact CD1-CE2 4.48Å; L66-F163 HydrophobicContact CD2-CE2 4.39Å; L66-T200 HydrophobicContact CD1-CG2 4.34Å
67	S	98.2	Very high	97.6	Very high	20 Å²	20	24.9 Å²	24.9	14%	0.14	13%	0.129	C	C	.	.			trans	-55.9	135.4	171.1	-73.6	0	0	0	0	109	Y61 T62 N65 F109	Y61-S67 CarbonylContact C-O 3.52Å; Y61-S67 WeakPolarHBondContact CA-O 3.44Å; T62-S67 PolarHBondContact N-O 3.33Å; T62-S67 PolarHBondContact OG1-N 3.42Å; T62-S67 VanDerWaalsContact OG1-N 3.07Å; N65-S67 PolarHBondContact ND2-OG 3.17Å; N65-S67 PolarHBondContact O-N 3.37Å; S67-F109 VanDerWaalsContact O-CE2 3.32Å; S67-F109 WeakPolarHBondContact O-CE2 3.37Å
68	T	98.6	Very high	97.4	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.043	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.6	-160.2	-45.3	0	0	0	0	112.7	L59 F60 Y61 L66 F102 T103	L59-T68 HydrophobicContact CD2-CG2 4.3Å; F60-T68 CarbonylContact O-C 3.46Å; F60-T68 WeakPolarHBondContact O-CA 3.42Å; Y61-T68 HydrophobicContact CD1-CG2 4.05Å; Y61-T68 HydrophobicContact CE1-CG2 3.65Å; Y61-T68 WeakPolarHBondContact CE1-OG1 3.49Å; L66-T68 PolarHBondContact O-N 2.95Å; L66-T68 PolarHBondContact O-OG1 2.64Å; L66-T68 VanDerWaalsContact O-OG1 3.08Å; T68-F102 HydrophobicContact CG2-CB 4.37Å; T68-F102 CarbonylContact O-C 3.56Å; T68-F102 VanDerWaalsContact O-CA 3.25Å; T68-F102 WeakPolarHBondContact O-CA 3.24Å; T68-F102 WeakPolarHBondContact O-CB 3.48Å; T68-T103 PolarHBondContact O-N 3.31Å
69	L	98.6	Very high	96.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.4	160.1	176.3	71.8	0	0	0	108.3	L59 F60 K71 T103 N105 F109	L59-L69 WeakPolarHBondContact CA-O 3.44Å; F60-L69 HydrophobicContact CB-CB 4.16Å; F60-L69 HydrophobicContact CB-CD2 4.31Å; F60-L69 HydrophobicContact CD2-CD2 3.7Å; F60-L69 HydrophobicContact CE2-CD2 4.4Å; F60-L69 HydrophobicContact CG-CD2 4.27Å; F60-L69 PolarHBondContact N-O 2.9Å; F60-L69 PolarHBondContact O-N 3.38Å; L69-K71 HydrophobicContact CD1-CD 4.05Å; L69-K71 HydrophobicContact CD1-CG 4.09Å; L69-K71 HydrophobicContact CD2-CD 4.33Å; L69-K71 HydrophobicContact CG-CD 4.34Å; L69-K71 HydrophobicContact CG-CG 4.33Å; L69-T103 CarbonylContact C-O 3.58Å; L69-T103 WeakPolarHBondContact CA-O 3.32Å; L69-T103 HydrophobicContact CB-CG2 4.5Å; L69-T103 HydrophobicContact CD1-CG2 4.04Å; L69-T103 WeakPolarHBondContact CD1-O 3.5Å; L69-N105 WeakPolarHBondContact CD1-O 3.13Å; L69-F109 HydrophobicContact CB-CB 4.23Å; L69-F109 HydrophobicContact CB-CD1 4.47Å; L69-F109 HydrophobicContact CB-CD2 3.52Å; L69-F109 HydrophobicContact CB-CE2 3.87Å; L69-F109 HydrophobicContact CB-CG 3.84Å; L69-F109 HydrophobicContact CD1-CB 4.2Å; L69-F109 HydrophobicContact CD2-CG 4.46Å
70	F	98.6	Very high	96.2	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.7	172.2	171.8	-134.2	0	0	0	110.4	I57 Q58 L59 V72 E91 I94 R95 I98 F102 T103 S104	I57-F70 HydrophobicContact CG2-CE2 4.07Å; Q58-F70 WeakPolarHBondContact O-CA 3.45Å; L59-F70 HydrophobicContact CD2-CB 4.01Å; L59-F70 HydrophobicContact CD2-CD2 3.72Å; L59-F70 HydrophobicContact CD2-CG 4.11Å; L59-F70 HydrophobicContact CG-CD2 4.35Å; F70-V72 HydrophobicContact CE2-CG2 3.68Å; F70-V72 HydrophobicContact CZ-CG2 3.72Å; F70-E91 HydrophobicContact CE1-CB 4.48Å; F70-E91 HydrophobicContact CE1-CG 4.43Å; F70-E91 HydrophobicContact CZ-CB 4.35Å; F70-E91 HydrophobicContact CZ-CG 4.13Å; F70-I94 HydrophobicContact CD1-CG2 4.49Å; F70-I94 HydrophobicContact CD2-CG2 3.96Å; F70-I94 HydrophobicContact CE1-CB 4.35Å; F70-I94 HydrophobicContact CE1-CG2 4.18Å; F70-I94 HydrophobicContact CE2-CB 3.97Å; F70-I94 HydrophobicContact CE2-CG1 4.2Å; F70-I94 HydrophobicContact CE2-CG2 3.63Å; F70-I94 HydrophobicContact CG-CG2 4.39Å; F70-I94 HydrophobicContact CZ-CB 3.74Å; F70-I94 HydrophobicContact CZ-CG1 4.25Å; F70-I94 HydrophobicContact CZ-CG2 3.76Å; F70-R95 HydrophobicContact CE1-CG 4.22Å; F70-I98 HydrophobicContact CB-CD1 3.94Å; F70-I98 HydrophobicContact CD1-CD1 3.78Å; F70-I98 HydrophobicContact CG-CD1 3.89Å; F70-F102 HydrophobicContact CB-CB 4.33Å; F70-F102 HydrophobicContact CB-CD2 3.76Å; F70-F102 HydrophobicContact CB-CE2 4.3Å; F70-F102 HydrophobicContact CB-CG 4.06Å; F70-F102 HydrophobicContact CD1-CD2 4.1Å; F70-F102 AromaticContact CD1-CE2 3.76Å; F70-F102 HydrophobicContact CD1-CE2 3.76Å; F70-F102 HydrophobicContact CD1-CZ 4.01Å; F70-F102 HydrophobicContact CG-CD2 4.46Å; F70-T103 PolarHBondContact N-O 3.22Å; F70-S104 WeakPolarHBondContact O-CA 3.48Å
71	K	97.5	Very high	95.4	Very high	41 Å²	41	36.4 Å²	36.4	18%	0.178	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.2	176.9	-71	176.9	164.7	176.7	0	110.9	Q58 L69 S104 T106	Q58-K71 HydrophobicContact CB-CB 4.23Å; Q58-K71 PolarHBondContact N-O 3.23Å; Q58-K71 PolarHBondContact O-N 2.86Å; L69-K71 HydrophobicContact CD1-CD 4.05Å; L69-K71 HydrophobicContact CD1-CG 4.09Å; L69-K71 HydrophobicContact CD2-CD 4.33Å; L69-K71 HydrophobicContact CG-CD 4.34Å; L69-K71 HydrophobicContact CG-CG 4.33Å; K71-S104 WeakPolarHBondContact CE-O 3.5Å; K71-T106 PolarHBondContact NZ-OG1 3.23Å
72	V	98	Very high	94.7	Very high	26 Å²	26	38.3 Å²	38.3	16%	0.158	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125	167.3	-178.5	0	0	0	0	108.5	L55 Q56 F70 Y74 V90 E91	L55-V72 HydrophobicContact CD1-CG1 3.64Å; Q56-V72 WeakPolarHBondContact O-CA 3.32Å; F70-V72 HydrophobicContact CE2-CG2 3.68Å; F70-V72 HydrophobicContact CZ-CG2 3.72Å; V72-Y74 HydrophobicContact CG1-CD1 4.2Å; V72-V90 HydrophobicContact CG2-CG1 4.23Å; V72-E91 HydrophobicContact CB-CG 4.24Å; V72-E91 HydrophobicContact CG2-CG 3.66Å
73	K	97	Very high	93.7	Very high	89 Å²	89	45.8 Å²	45.8	39%	0.387	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.9	174.7	-62.7	176.5	179.4	168	0	109.4	L55 Q56	L55-K73 CarbonylContact C-O 3.56Å; L55-K73 WeakPolarHBondContact CA-O 3.13Å; Q56-K73 HydrophobicContact CB-CB 4.28Å; Q56-K73 PolarHBondContact N-O 3.31Å; Q56-K73 PolarHBondContact O-N 3.13Å
74	Y	97.1	Very high	92.9	Very high	102 Å²	102	52.4 Å²	52.4	40%	0.4	29%	0.29	S	S	.	.			trans	-158.6	156.7	173.6	49.3	-96.5	0	0	0	109.7	Y52 V72 K77	Y52-Y74 AromaticContact CD1-CD1 3.5Å; Y52-Y74 HydrophobicContact CD1-CD1 3.5Å; Y52-Y74 VanDerWaalsContact CD1-CD1 3.5Å; Y52-Y74 HydrophobicContact CD1-CD2 4.42Å; Y52-Y74 AromaticContact CD1-CE1 3.96Å; Y52-Y74 HydrophobicContact CD1-CE1 3.96Å; Y52-Y74 AromaticContact CD1-CG 3.76Å; Y52-Y74 HydrophobicContact CD1-CG 3.76Å; Y52-Y74 AromaticContact CE1-CD1 3.8Å; Y52-Y74 HydrophobicContact CE1-CD1 3.8Å; Y52-Y74 AromaticContact CE1-CE1 3.8Å; Y52-Y74 HydrophobicContact CE1-CE1 3.8Å; Y52-Y74 HydrophobicContact CE1-CG 4.44Å; V72-Y74 HydrophobicContact CG1-CD1 4.2Å; Y74-K77 HydrophobicContact CD2-CB 4.33Å; Y74-K77 HydrophobicContact CE2-CB 3.9Å
75	S	96	Very high	92.5	Very high	90 Å²	90	54.2 Å²	54.2	63%	0.629	30%	0.3	S	S	*	.	S	Bend	trans	-83.7	-34.1	177.2	64	0	0	0	0	113	K53	K53-S75 PolarHBondContact O-N 3.02Å; K53-S75 PolarHBondContact O-OG 3.42Å
76	S	94.1	Very high	92.3	Very high	30 Å²	30	60.1 Å²	60.1	21%	0.21	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	155.2	173.2	66.7	0	0	0	0	111.5	Y8 K53	Y8-S76 WeakPolarHBondContact CE1-OG 3.39Å; Y8-S76 PolarHBondContact OH-OG 3.18Å; K53-S76 WeakPolarHBondContact CB-OG 3.28Å; K53-S76 PolarHBondContact N-O 2.86Å
77	K	93.8	Very high	92.1	Very high	49 Å²	49	61 Å²	61	21%	0.213	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.1	175.8	-162.1	173.8	-177.5	169.1	0	110.4	G51 Y52 Y74 T79 D80 T81 A87	G51-K77 CarbonylContact O-C 3.57Å; G51-K77 WeakPolarHBondContact O-CA 3.29Å; G51-K77 WeakPolarHBondContact O-CG 3.5Å; Y52-K77 HydrophobicContact CD1-CG 4.26Å; Y52-K77 HydrophobicContact CE1-CD 3.99Å; Y52-K77 HydrophobicContact CE1-CG 4.08Å; Y52-K77 WeakPolarHBondContact OH-CE 3.49Å; Y52-K77 PolarHBondContact OH-NZ 2.97Å; Y74-K77 HydrophobicContact CD2-CB 4.33Å; Y74-K77 HydrophobicContact CE2-CB 3.9Å; K77-T79 VanDerWaalsContact C-N 3.25Å; K77-T79 WeakPolarHBondContact CD-OG1 3.43Å; K77-T79 WeakPolarHBondContact CG-OG1 3.24Å; K77-T79 PolarHBondContact O-N 2.75Å; K77-D80 WeakPolarHBondContact CB-OD2 3.05Å; K77-D80 PolarHBondContact O-N 2.66Å; K77-D80 VanDerWaalsContact O-N 3.13Å; K77-T81 PolarHBondContact O-OG1 2.83Å; K77-A87 HydrophobicContact CD-CB 4.29Å; K77-A87 HydrophobicContact CG-CB 3.98Å
78	V	92.6	Very high	92.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.4	-35.4	-173.8	72	0	0	0	0	111.9	L5 Y8 F50 G51 D80 T81 F82 V85 A87	L5-V78 HydrophobicContact CD2-CG2 3.63Å; Y8-V78 HydrophobicContact CD1-CB 3.8Å; Y8-V78 HydrophobicContact CD1-CG2 4.42Å; Y8-V78 HydrophobicContact CE1-CB 4.17Å; Y8-V78 HydrophobicContact CG-CB 4.21Å; Y8-V78 HydrophobicContact CG-CG2 4.38Å; F50-V78 HydrophobicContact CE1-CG1 4.42Å; F50-V78 HydrophobicContact CZ-CG2 4.34Å; G51-V78 VanDerWaalsContact CA-CG1 3.47Å; G51-V78 PolarHBondContact O-N 2.75Å; V78-D80 PolarHBondContact O-N 2.97Å; V78-T81 PolarHBondContact O-N 2.93Å; V78-F82 HydrophobicContact CG2-CB 4.39Å; V78-F82 HydrophobicContact CG2-CD2 3.55Å; V78-F82 HydrophobicContact CG2-CE2 4.27Å; V78-F82 HydrophobicContact CG2-CG 4.36Å; V78-F82 PolarHBondContact O-N 3Å; V78-V85 HydrophobicContact CG1-CG1 4.01Å; V78-V85 HydrophobicContact CG2-CB 4.24Å; V78-V85 HydrophobicContact CG2-CG1 3.87Å; V78-A87 HydrophobicContact CG1-CB 4.08Å
79	T	86.8	Confident	92	Very high	61 Å²	61	67.4 Å²	67.4	37%	0.374	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-61.2	-26.7	178.1	49.7	0	0	0	0	113	K77 T81 V85	K77-T79 VanDerWaalsContact C-N 3.25Å; K77-T79 WeakPolarHBondContact CD-OG1 3.43Å; K77-T79 WeakPolarHBondContact CG-OG1 3.24Å; K77-T79 PolarHBondContact O-N 2.75Å; T79-T81 VanDerWaalsContact C-N 3.3Å; T79-V85 VanDerWaalsContact CG2-O 3.32Å; T79-V85 WeakPolarHBondContact CG2-O 3.27Å
80	D	86.8	Confident	92	Very high	121 Å²	121	67.4 Å²	67.4	65%	0.647	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-84.4	-14.5	-179.1	-50.7	-20.9	0	0	0	111.2	K77 V78	K77-D80 WeakPolarHBondContact CB-OD2 3.05Å; K77-D80 PolarHBondContact O-N 2.66Å; K77-D80 VanDerWaalsContact O-N 3.13Å; V78-D80 PolarHBondContact O-N 2.97Å
81	T	81.3	Confident	91.9	Very high	78 Å²	78	70.8 Å²	70.8	48%	0.479	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-29.8	-170.1	-51.1	0	0	0	0	113.1	Y8 K77 V78 T79	Y8-T81 PolarHBondContact OH-OG1 3.32Å; K77-T81 PolarHBondContact O-OG1 2.83Å; V78-T81 PolarHBondContact O-N 2.93Å; T79-T81 VanDerWaalsContact C-N 3.3Å
82	F	83.2	Confident	91.9	Very high	41 Å²	41	69.5 Å²	69.5	18%	0.18	38%	0.381	C	S	.	.	S	Bend	trans	-132	130.4	-175.4	-57.9	-83.8	0	0	0	110.9	K4 L5 Y8 V78 V85	K4-F82 HydrophobicContact CB-CZ 4.02Å; L5-F82 HydrophobicContact CD2-CD2 3.85Å; L5-F82 HydrophobicContact CD2-CE2 3.86Å; L5-F82 HydrophobicContact CD2-CG 4.25Å; L5-F82 HydrophobicContact CD2-CZ 4.29Å; Y8-F82 HydrophobicContact CD2-CE2 4.37Å; Y8-F82 AromaticContact CE2-CE2 3.83Å; Y8-F82 HydrophobicContact CE2-CE2 3.83Å; V78-F82 HydrophobicContact CG2-CB 4.39Å; V78-F82 HydrophobicContact CG2-CD2 3.55Å; V78-F82 HydrophobicContact CG2-CE2 4.27Å; V78-F82 HydrophobicContact CG2-CG 4.36Å; V78-F82 PolarHBondContact O-N 3Å; F82-V85 HydrophobicContact CB-CG2 4.46Å
83	D	78.6	Confident	91.9	Very high	156 Å²	156	71.4 Å²	71.4	83%	0.834	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	146	172.4	-61	-46.9	0	0	0	110.9	V85	D83-V85 PolarHBondContact O-N 2.79Å
84	C	81.6	Confident	92	Very high	141 Å²	141	67.2 Å²	67.2	95%	0.953	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	23.7	174.6	-53.4	0	0	0	0	116.3
85	V	89.1	Confident	92	Very high	37 Å²	37	68.2 Å²	68.2	22%	0.224	37%	0.372	C	S	.	.			trans	-128.8	125.5	173.9	-174.7	0	0	0	0	109.7	F50 V78 T79 F82 D83	F50-V85 HydrophobicContact CE1-CG1 3.46Å; F50-V85 VanDerWaalsContact CE1-CG1 3.46Å; F50-V85 HydrophobicContact CZ-CG1 3.64Å; V78-V85 HydrophobicContact CG1-CG1 4.01Å; V78-V85 HydrophobicContact CG2-CB 4.24Å; V78-V85 HydrophobicContact CG2-CG1 3.87Å; T79-V85 VanDerWaalsContact CG2-O 3.32Å; T79-V85 WeakPolarHBondContact CG2-O 3.27Å; F82-V85 HydrophobicContact CB-CG2 4.46Å; D83-V85 PolarHBondContact O-N 2.79Å
86	E	92.6	Very high	92	Very high	167 Å²	167	71.1 Å²	71.1	78%	0.78	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-98.6	146.9	177	-65.3	-173.2	169	0	0	110.9
87	A	95.3	Very high	92.1	Very high	19 Å²	19	70.4 Å²	70.4	16%	0.157	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-88	153.2	172.3	0	0	0	0	0	110.1	Y52 K77 V78	Y52-A87 HydrophobicContact CD2-CB 4.48Å; Y52-A87 HydrophobicContact CE2-CB 3.81Å; K77-A87 HydrophobicContact CD-CB 4.29Å; K77-A87 HydrophobicContact CG-CB 3.98Å; V78-A87 HydrophobicContact CG1-CB 4.08Å
88	D	96.8	Very high	92.2	Very high	57 Å²	57	68.7 Å²	68.7	31%	0.305	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-63	146.2	176.2	-65	-18.1	0	0	0	111.4	F50 Y52 V90	F50-D88 PolarHBondContact N-OD2 3.26Å; F50-D88 PolarHBondContact O-N 2.66Å; Y52-D88 VanDerWaalsContact CE2-O 3.24Å; Y52-D88 WeakPolarHBondContact CE2-O 3.18Å; Y52-D88 PolarHBondContact OH-O 2.85Å; D88-V90 VanDerWaalsContact C-N 3.25Å; D88-V90 PolarHBondContact O-N 2.74Å
89	D	96.9	Very high	92.3	Very high	105 Å²	105	70 Å²	70	56%	0.561	37%	0.37	S	S	*	.			trans	-80	74	173.8	-173.3	12.2	0	0	0	111.1	E91 G92 K93	D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.27Å; D89-G92 PolarHBondContact O-N 3.34Å; D89-G92 PolarHBondContact OD1-N 3.06Å; D89-G92 WeakPolarHBondContact OD2-CA 3.07Å; D89-K93 WeakPolarHBondContact O-CG 3.38Å; D89-K93 PolarHBondContact O-N 2.85Å; D89-K93 VanDerWaalsContact O-N 3.13Å
90	V	97.9	Very high	92.6	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.9	-39.4	177.6	174.6	0	0	0	0	111	F43 A49 Y52 L55 I57 V72 D88 I94	F43-V90 HydrophobicContact CE1-CG1 4.37Å; F43-V90 HydrophobicContact CE1-CG2 4.33Å; F43-V90 HydrophobicContact CZ-CG1 4.35Å; A49-V90 HydrophobicContact CB-CG2 3.92Å; Y52-V90 HydrophobicContact CD2-CG2 4.08Å; Y52-V90 HydrophobicContact CE2-CB 4.46Å; Y52-V90 HydrophobicContact CE2-CG2 3.57Å; L55-V90 HydrophobicContact CD2-CG2 4.25Å; I57-V90 HydrophobicContact CD1-CG1 3.43Å; I57-V90 VanDerWaalsContact CD1-CG1 3.43Å; I57-V90 HydrophobicContact CG1-CG1 3.7Å; V72-V90 HydrophobicContact CG2-CG1 4.23Å; D88-V90 VanDerWaalsContact C-N 3.25Å; D88-V90 PolarHBondContact O-N 2.74Å; V90-I94 WeakPolarHBondContact O-CG1 3.28Å; V90-I94 PolarHBondContact O-N 2.94Å
91	E	97.1	Very high	92.8	Very high	76 Å²	76	69.7 Å²	69.7	36%	0.355	40%	0.398	S	S	.	.	H	α-helix	trans	-67.2	-44.9	179.8	-73.8	-172.1	-165.6	0	0	112.8	F70 V72 D89 I94 R95	F70-E91 HydrophobicContact CE1-CB 4.48Å; F70-E91 HydrophobicContact CE1-CG 4.43Å; F70-E91 HydrophobicContact CZ-CB 4.35Å; F70-E91 HydrophobicContact CZ-CG 4.13Å; V72-E91 HydrophobicContact CB-CG 4.24Å; V72-E91 HydrophobicContact CG2-CG 3.66Å; D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.27Å; E91-I94 PolarHBondContact O-N 2.91Å; E91-R95 WeakPolarHBondContact O-CB 3.35Å; E91-R95 VanDerWaalsContact O-CG 3.29Å; E91-R95 WeakPolarHBondContact O-CG 3.48Å; E91-R95 PolarHBondContact O-N 2.79Å; E91-R95 IonicContact OE2-CZ 3.37Å; E91-R95 IonicContact OE2-NH1 3.31Å; E91-R95 PolarHBondContact OE2-NH1 2.89Å; E91-R95 IonicContact OE2-NH2 2.72Å; E91-R95 PolarHBondContact OE2-NH2 3.14Å
92	G	97.8	Very high	93.5	Very high	14 Å²	14	68.7 Å²	68.7	14%	0.144	39%	0.387	C	S	.	.	H	α-helix	trans	-57.1	-49.5	175.8	0	0	0	0	0	111.6	D89 I94 R95 E96	D89-G92 PolarHBondContact O-N 3.34Å; D89-G92 PolarHBondContact OD1-N 3.06Å; D89-G92 WeakPolarHBondContact OD2-CA 3.07Å; G92-I94 PolarHBondContact O-N 3.33Å; G92-R95 WeakPolarHBondContact O-CB 3.44Å; G92-R95 PolarHBondContact O-N 2.91Å; G92-R95 VanDerWaalsContact O-N 3.11Å; G92-E96 PolarHBondContact O-N 2.8Å
93	K	97.8	Very high	94.2	Very high	67 Å²	67	67.6 Å²	67.6	29%	0.291	38%	0.384	S	S	.	.	H	α-helix	trans	-57.4	-44.3	178.9	-74.7	177.3	170.1	-67	0	113.2	L42 F43 D89 E96	L42-K93 WeakPolarHBondContact CD2-O 3.16Å; L42-K93 WeakPolarHBondContact O-CD 3.42Å; L42-K93 PolarHBondContact O-NZ 3.19Å; F43-K93 HydrophobicContact CD1-CD 3.79Å; F43-K93 HydrophobicContact CE1-CB 4.28Å; F43-K93 HydrophobicContact CE1-CD 3.72Å; F43-K93 HydrophobicContact CZ-CB 4.46Å; D89-K93 WeakPolarHBondContact O-CG 3.38Å; D89-K93 PolarHBondContact O-N 2.85Å; D89-K93 VanDerWaalsContact O-N 3.13Å; K93-E96 WeakPolarHBondContact O-CB 3.37Å; K93-E96 PolarHBondContact O-N 2.9Å
94	I	98	Very high	95	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-67.7	-38.7	177.8	-63	-63.7	0	0	0	111.2	L42 F43 I57 L59 F70 V90 E91 G92 E96 I97 I98 W166	L42-I94 HydrophobicContact CD2-CD1 4Å; F43-I94 HydrophobicContact CE2-CD1 4.19Å; F43-I94 HydrophobicContact CZ-CD1 4.02Å; F43-I94 HydrophobicContact CZ-CG1 4.42Å; I57-I94 HydrophobicContact CG2-CD1 4.1Å; I57-I94 HydrophobicContact CG2-CG1 3.97Å; L59-I94 HydrophobicContact CD1-CG2 4.24Å; L59-I94 HydrophobicContact CD2-CG2 4.05Å; F70-I94 HydrophobicContact CD1-CG2 4.49Å; F70-I94 HydrophobicContact CD2-CG2 3.96Å; F70-I94 HydrophobicContact CE1-CB 4.35Å; F70-I94 HydrophobicContact CE1-CG2 4.18Å; F70-I94 HydrophobicContact CE2-CB 3.97Å; F70-I94 HydrophobicContact CE2-CG1 4.2Å; F70-I94 HydrophobicContact CE2-CG2 3.63Å; F70-I94 HydrophobicContact CG-CG2 4.39Å; F70-I94 HydrophobicContact CZ-CB 3.74Å; F70-I94 HydrophobicContact CZ-CG1 4.25Å; F70-I94 HydrophobicContact CZ-CG2 3.76Å; V90-I94 WeakPolarHBondContact O-CG1 3.28Å; V90-I94 PolarHBondContact O-N 2.94Å; E91-I94 PolarHBondContact O-N 2.91Å; G92-I94 PolarHBondContact O-N 3.33Å; I94-E96 PolarHBondContact O-N 2.77Å; I94-I97 VanDerWaalsContact O-CG1 3.25Å; I94-I97 WeakPolarHBondContact O-CG1 3.2Å; I94-I97 PolarHBondContact O-N 2.71Å; I94-I97 VanDerWaalsContact O-N 3.1Å; I94-I98 HydrophobicContact CG2-CD1 4Å; I94-I98 HydrophobicContact CG2-CG1 4.37Å; I94-I98 HydrophobicContact CG2-CG2 4.16Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.46Å; I94-W166 HydrophobicContact CD1-CH2 3.69Å; I94-W166 HydrophobicContact CD1-CZ2 4.08Å
95	R	97.3	Very high	95.7	Very high	124 Å²	124	60.3 Å²	60.3	47%	0.468	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-18	177	-74.1	176.6	-174.2	132.4	7.8	113.9	F70 E91 G92 I97 F102	F70-R95 HydrophobicContact CE1-CG 4.22Å; E91-R95 WeakPolarHBondContact O-CB 3.35Å; E91-R95 VanDerWaalsContact O-CG 3.29Å; E91-R95 WeakPolarHBondContact O-CG 3.48Å; E91-R95 PolarHBondContact O-N 2.79Å; E91-R95 IonicContact OE2-CZ 3.37Å; E91-R95 IonicContact OE2-NH1 3.31Å; E91-R95 PolarHBondContact OE2-NH1 2.89Å; E91-R95 IonicContact OE2-NH2 2.72Å; E91-R95 PolarHBondContact OE2-NH2 3.14Å; G92-R95 WeakPolarHBondContact O-CB 3.44Å; G92-R95 PolarHBondContact O-N 2.91Å; G92-R95 VanDerWaalsContact O-N 3.11Å; R95-I97 VanDerWaalsContact C-N 3.26Å; R95-I97 PolarHBondContact O-N 2.89Å; R95-F102 HydrophobicContact CG-CE1 4.27Å; R95-F102 HydrophobicContact CG-CZ 4.13Å
96	E	96.1	Very high	96.1	Very high	150 Å²	150	60 Å²	60	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.7	174.1	-68.5	170.9	-169.1	0	0	112.7	G92 K93 I94	G92-E96 PolarHBondContact O-N 2.8Å; K93-E96 WeakPolarHBondContact O-CB 3.37Å; K93-E96 PolarHBondContact O-N 2.9Å; I94-E96 PolarHBondContact O-N 2.77Å
97	I	96.3	Very high	96.2	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.077	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-12	-172.7	65	160.8	0	0	0	115.2	L42 I94 R95 T162 M165 W166 F173	L42-I97 HydrophobicContact CD1-CD1 3.89Å; L42-I97 HydrophobicContact CD1-CG2 4.08Å; L42-I97 HydrophobicContact CD2-CD1 3.44Å; L42-I97 VanDerWaalsContact CD2-CD1 3.44Å; L42-I97 HydrophobicContact CD2-CG1 3.83Å; L42-I97 HydrophobicContact CD2-CG2 4.25Å; L42-I97 HydrophobicContact CG-CD1 4.28Å; L42-I97 HydrophobicContact CG-CG2 4.36Å; I94-I97 VanDerWaalsContact O-CG1 3.25Å; I94-I97 WeakPolarHBondContact O-CG1 3.2Å; I94-I97 PolarHBondContact O-N 2.71Å; I94-I97 VanDerWaalsContact O-N 3.1Å; R95-I97 VanDerWaalsContact C-N 3.26Å; R95-I97 PolarHBondContact O-N 2.89Å; I97-T162 HydrophobicContact CD1-CG2 3.8Å; I97-T162 HydrophobicContact CG1-CG2 4.13Å; I97-T162 PolarHBondContact O-OG1 3.26Å; I97-M165 HydrophobicContact CD1-CB 4.26Å; I97-M165 HydrophobicContact CD1-CG 4.29Å; I97-M165 HydrophobicContact CG2-CE 4.31Å; I97-M165 HydrophobicContact CG2-CG 4.48Å; I97-W166 HydrophobicContact CD1-CH2 3.74Å; I97-W166 HydrophobicContact CD1-CZ2 3.43Å; I97-W166 VanDerWaalsContact CD1-CZ2 3.43Å; I97-F173 HydrophobicContact CB-CE2 4.29Å; I97-F173 HydrophobicContact CB-CZ 4Å; I97-F173 HydrophobicContact CG2-CE2 4.46Å; I97-F173 HydrophobicContact CG2-CZ 4.38Å
98	I	96.3	Very high	96.3	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.067	35%	0.346	C	S	.	.	S	Bend	trans	-100.2	141.1	173.2	67	174.7	0	0	0	110.1	L59 F70 I94 F102 T162	L59-I98 HydrophobicContact CD2-CD1 4.38Å; L59-I98 HydrophobicContact CD2-CG2 4.18Å; F70-I98 HydrophobicContact CB-CD1 3.94Å; F70-I98 HydrophobicContact CD1-CD1 3.78Å; F70-I98 HydrophobicContact CG-CD1 3.89Å; I94-I98 HydrophobicContact CG2-CD1 4Å; I94-I98 HydrophobicContact CG2-CG1 4.37Å; I94-I98 HydrophobicContact CG2-CG2 4.16Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.46Å; I98-F102 HydrophobicContact CD1-CD1 3.42Å; I98-F102 VanDerWaalsContact CD1-CD1 3.42Å; I98-F102 HydrophobicContact CD1-CE1 3.69Å; I98-F102 HydrophobicContact CD1-CG 3.96Å; I98-F102 HydrophobicContact CD1-CZ 4.43Å; I98-F102 HydrophobicContact CG1-CD1 4Å; I98-F102 HydrophobicContact CG1-CE1 4.15Å; I98-T162 HydrophobicContact CG2-CG2 3.66Å
99	P	95	Very high	96.4	Very high	28 Å²	28	57.8 Å²	57.8	18%	0.182	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-67.7	157.4	175.6	28.4	-33.9	0	0	0	111.3	F102 E158 R159	P99-F102 WeakPolarHBondContact O-CD1 3.33Å; P99-E158 HydrophobicContact CB-CB 4.08Å; P99-E158 HydrophobicContact CG-CB 4.16Å; P99-R159 HydrophobicContact CG-CB 4.4Å; P99-R159 HydrophobicContact CG-CG 3.52Å
100	A	92.4	Very high	96.4	Very high	98 Å²	98	55 Å²	55	81%	0.81	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	158.8	171.2	0	0	0	0	0	111.5
101	G	91.1	Very high	96.3	Very high	77 Å²	77	57.6 Å²	57.6	79%	0.794	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	7.7	178.2	0	0	0	0	0	115.1
102	F	96.4	Very high	96.3	Very high	57 Å²	57	56.2 Å²	56.2	25%	0.25	33%	0.329	C	S	.	.			trans	-63.5	154.1	163	61	-96.7	0	0	0	110.9	T68 F70 R95 I98 P99	T68-F102 HydrophobicContact CG2-CB 4.37Å; T68-F102 CarbonylContact O-C 3.56Å; T68-F102 VanDerWaalsContact O-CA 3.25Å; T68-F102 WeakPolarHBondContact O-CA 3.24Å; T68-F102 WeakPolarHBondContact O-CB 3.48Å; F70-F102 HydrophobicContact CB-CB 4.33Å; F70-F102 HydrophobicContact CB-CD2 3.76Å; F70-F102 HydrophobicContact CB-CE2 4.3Å; F70-F102 HydrophobicContact CB-CG 4.06Å; F70-F102 HydrophobicContact CD1-CD2 4.1Å; F70-F102 AromaticContact CD1-CE2 3.76Å; F70-F102 HydrophobicContact CD1-CE2 3.76Å; F70-F102 HydrophobicContact CD1-CZ 4.01Å; F70-F102 HydrophobicContact CG-CD2 4.46Å; R95-F102 HydrophobicContact CG-CE1 4.27Å; R95-F102 HydrophobicContact CG-CZ 4.13Å; I98-F102 HydrophobicContact CD1-CD1 3.42Å; I98-F102 VanDerWaalsContact CD1-CD1 3.42Å; I98-F102 HydrophobicContact CD1-CE1 3.69Å; I98-F102 HydrophobicContact CD1-CG 3.96Å; I98-F102 HydrophobicContact CD1-CZ 4.43Å; I98-F102 HydrophobicContact CG1-CD1 4Å; I98-F102 HydrophobicContact CG1-CE1 4.15Å; P99-F102 WeakPolarHBondContact O-CD1 3.33Å
103	T	97.4	Very high	96.1	Very high	18 Å²	18	55.8 Å²	55.8	11%	0.11	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-100.1	154.2	168.4	178.9	0	0	0	0	110.6	T68 L69 F70 N105 D108 F109 L112	T68-T103 PolarHBondContact O-N 3.31Å; L69-T103 CarbonylContact C-O 3.58Å; L69-T103 WeakPolarHBondContact CA-O 3.32Å; L69-T103 HydrophobicContact CB-CG2 4.5Å; L69-T103 HydrophobicContact CD1-CG2 4.04Å; L69-T103 WeakPolarHBondContact CD1-O 3.5Å; F70-T103 PolarHBondContact N-O 3.22Å; T103-N105 PolarHBondContact OG1-N 3.15Å; T103-N105 VanDerWaalsContact OG1-N 3.08Å; T103-N105 PolarHBondContact OG1-O 3.06Å; T103-D108 HydrophobicContact CG2-CB 4.41Å; T103-D108 WeakPolarHBondContact OG1-CB 3.35Å; T103-F109 HydrophobicContact CG2-CB 3.77Å; T103-F109 HydrophobicContact CG2-CD2 4.26Å; T103-L112 HydrophobicContact CG2-CD1 4.13Å
104	S	96	Very high	95.9	Very high	83 Å²	83	59.5 Å²	59.5	58%	0.58	34%	0.341	S	S	*	.	S	Bend	trans	-113.9	15	170.9	62	0	0	0	0	112	F70 K71	F70-S104 WeakPolarHBondContact O-CA 3.48Å; K71-S104 WeakPolarHBondContact CE-O 3.5Å
105	N	96.5	Very high	95.7	Very high	62 Å²	62	65.6 Å²	65.6	33%	0.332	37%	0.368	S	S	.	.			trans	-122.1	138.3	178.1	-177.8	-60.1	0	0	0	110.3	L69 T103 D107 D108 F109	L69-N105 WeakPolarHBondContact CD1-O 3.13Å; T103-N105 PolarHBondContact OG1-N 3.15Å; T103-N105 VanDerWaalsContact OG1-N 3.08Å; T103-N105 PolarHBondContact OG1-O 3.06Å; N105-D107 WeakPolarHBondContact OD1-CA 3.39Å; N105-D107 WeakPolarHBondContact OD1-CB 3.46Å; N105-D107 PolarHBondContact OD1-N 2.92Å; N105-D108 HydrophobicContact CB-CB 4.12Å; N105-D108 WeakPolarHBondContact CB-OD2 3.25Å; N105-D108 PolarHBondContact OD1-N 3.17Å; N105-F109 PolarHBondContact O-N 2.93Å
106	T	96.3	Very high	95.5	Very high	30 Å²	30	59.9 Å²	59.9	18%	0.184	35%	0.347	C	S	.	.	H	α-helix	trans	-73.1	-38.5	-177.1	-61.4	0	0	0	0	111.7	V27 K71 F109 I110	V27-T106 HydrophobicContact CG1-CG2 3.97Å; K71-T106 PolarHBondContact NZ-OG1 3.23Å; T106-F109 WeakPolarHBondContact O-CB 3.49Å; T106-F109 PolarHBondContact O-N 3Å; T106-F109 VanDerWaalsContact O-N 3.17Å; T106-I110 HydrophobicContact CG2-CD1 3.99Å; T106-I110 HydrophobicContact CG2-CG1 4.4Å; T106-I110 WeakPolarHBondContact O-CG1 3.46Å; T106-I110 PolarHBondContact O-N 3.16Å
107	D	96.5	Very high	95.3	Very high	108 Å²	108	53.9 Å²	53.9	58%	0.578	32%	0.323	S	S	*	.	H	α-helix	trans	-66.2	-39.9	179.5	-54.8	-36.8	0	0	0	111.1	N105 F109 I110 S111	N105-D107 WeakPolarHBondContact OD1-CA 3.39Å; N105-D107 WeakPolarHBondContact OD1-CB 3.46Å; N105-D107 PolarHBondContact OD1-N 2.92Å; D107-F109 VanDerWaalsContact C-N 3.31Å; D107-F109 PolarHBondContact O-N 2.95Å; D107-I110 PolarHBondContact O-N 2.82Å; D107-S111 PolarHBondContact O-N 3.15Å; D107-S111 PolarHBondContact O-OG 2.78Å
108	D	97.2	Very high	95.2	Very high	89 Å²	89	59.4 Å²	59.4	48%	0.476	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-39.7	172.9	-70.6	-20.6	0	0	0	111.1	T103 N105 S111 L112	T103-D108 HydrophobicContact CG2-CB 4.41Å; T103-D108 WeakPolarHBondContact OG1-CB 3.35Å; N105-D108 HydrophobicContact CB-CB 4.12Å; N105-D108 WeakPolarHBondContact CB-OD2 3.25Å; N105-D108 PolarHBondContact OD1-N 3.17Å; D108-S111 WeakPolarHBondContact O-CB 3.23Å; D108-S111 PolarHBondContact O-N 3.12Å; D108-L112 WeakPolarHBondContact O-CG 3.4Å; D108-L112 PolarHBondContact O-N 2.83Å
109	F	98.1	Very high	95.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-41.3	176.6	-179.1	-103	0	0	0	112.3	V21 V27 F60 T62 S67 L69 T103 N105 T106 D107 S111 L112 L113	V21-F109 HydrophobicContact CB-CE1 4.02Å; V21-F109 HydrophobicContact CB-CZ 4.17Å; V21-F109 HydrophobicContact CG1-CE1 4.04Å; V21-F109 HydrophobicContact CG2-CE1 3.92Å; V21-F109 HydrophobicContact CG2-CZ 4.1Å; V27-F109 HydrophobicContact CG2-CD1 4.33Å; V27-F109 HydrophobicContact CG2-CE1 4.16Å; F60-F109 HydrophobicContact CB-CE1 4.41Å; F60-F109 HydrophobicContact CB-CZ 4.08Å; F60-F109 WeakPolarHBondContact O-CE2 3.48Å; T62-F109 HydrophobicContact CG2-CE2 3.94Å; T62-F109 HydrophobicContact CG2-CZ 4.01Å; S67-F109 VanDerWaalsContact O-CE2 3.32Å; S67-F109 WeakPolarHBondContact O-CE2 3.37Å; L69-F109 HydrophobicContact CB-CB 4.23Å; L69-F109 HydrophobicContact CB-CD1 4.47Å; L69-F109 HydrophobicContact CB-CD2 3.52Å; L69-F109 HydrophobicContact CB-CE2 3.87Å; L69-F109 HydrophobicContact CB-CG 3.84Å; L69-F109 HydrophobicContact CD1-CB 4.2Å; L69-F109 HydrophobicContact CD2-CG 4.46Å; T103-F109 HydrophobicContact CG2-CB 3.77Å; T103-F109 HydrophobicContact CG2-CD2 4.26Å; N105-F109 PolarHBondContact O-N 2.93Å; T106-F109 WeakPolarHBondContact O-CB 3.49Å; T106-F109 PolarHBondContact O-N 3Å; T106-F109 VanDerWaalsContact O-N 3.17Å; D107-F109 VanDerWaalsContact C-N 3.31Å; D107-F109 PolarHBondContact O-N 2.95Å; F109-S111 VanDerWaalsContact C-N 3.27Å; F109-S111 PolarHBondContact O-N 3Å; F109-L112 WeakPolarHBondContact O-CB 3.37Å; F109-L112 PolarHBondContact O-N 3.18Å; F109-L113 PolarHBondContact O-N 3.16Å
110	I	96.9	Very high	95.3	Very high	46 Å²	46	63.2 Å²	63.2	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-60.8	-40.2	172.9	-68.1	167.8	0	0	0	110.2	T106 D107 L112 L113 E114	T106-I110 HydrophobicContact CG2-CD1 3.99Å; T106-I110 HydrophobicContact CG2-CG1 4.4Å; T106-I110 WeakPolarHBondContact O-CG1 3.46Å; T106-I110 PolarHBondContact O-N 3.16Å; D107-I110 PolarHBondContact O-N 2.82Å; I110-L112 VanDerWaalsContact C-N 3.26Å; I110-L112 PolarHBondContact O-N 2.81Å; I110-L113 WeakPolarHBondContact O-CB 3.36Å; I110-L113 PolarHBondContact O-N 3.49Å; I110-L113 VanDerWaalsContact O-N 3.1Å; I110-E114 PolarHBondContact O-N 2.81Å; I110-E114 VanDerWaalsContact O-N 3.12Å
111	S	96.4	Very high	95.6	Very high	54 Å²	54	59.6 Å²	59.6	38%	0.378	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-27.8	174.8	-56.1	0	0	0	0	113.2	D107 D108 F109	D107-S111 PolarHBondContact O-N 3.15Å; D107-S111 PolarHBondContact O-OG 2.78Å; D108-S111 WeakPolarHBondContact O-CB 3.23Å; D108-S111 PolarHBondContact O-N 3.12Å; F109-S111 VanDerWaalsContact C-N 3.27Å; F109-S111 PolarHBondContact O-N 3Å
112	L	95.9	Very high	95.9	Very high	48 Å²	48	57.2 Å²	57.2	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-74.8	-39.7	171.1	-67.4	171.4	0	0	0	111.3	T103 D108 F109 I110 E114 K115	T103-L112 HydrophobicContact CG2-CD1 4.13Å; D108-L112 WeakPolarHBondContact O-CG 3.4Å; D108-L112 PolarHBondContact O-N 2.83Å; F109-L112 WeakPolarHBondContact O-CB 3.37Å; F109-L112 PolarHBondContact O-N 3.18Å; I110-L112 VanDerWaalsContact C-N 3.26Å; I110-L112 PolarHBondContact O-N 2.81Å; L112-E114 VanDerWaalsContact C-N 3.25Å; L112-E114 PolarHBondContact O-N 2.85Å; L112-K115 WeakPolarHBondContact O-CB 3.48Å; L112-K115 PolarHBondContact O-N 2.91Å
113	L	95.3	Very high	96	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-32.4	177.7	-175.1	66	0	0	0	112.7	V21 P24 T62 F109 I110 K115 E116	V21-L113 HydrophobicContact CG1-CD1 4.3Å; V21-L113 HydrophobicContact CG1-CD2 3.77Å; V21-L113 VanDerWaalsContact O-CD1 3.28Å; V21-L113 WeakPolarHBondContact O-CD1 3.47Å; P24-L113 HydrophobicContact CG-CD2 4.27Å; T62-L113 HydrophobicContact CG2-CB 4.26Å; T62-L113 HydrophobicContact CG2-CD1 4.02Å; F109-L113 PolarHBondContact O-N 3.16Å; I110-L113 WeakPolarHBondContact O-CB 3.36Å; I110-L113 PolarHBondContact O-N 3.49Å; I110-L113 VanDerWaalsContact O-N 3.1Å; L113-K115 PolarHBondContact O-N 3.23Å; L113-E116 WeakPolarHBondContact O-CB 3.48Å; L113-E116 PolarHBondContact O-N 2.93Å
114	E	92.9	Very high	96	Very high	145 Å²	145	60.1 Å²	60.1	68%	0.678	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-64	-28.1	172.9	-69.4	178.6	179.2	0	0	112.7	I110 L112 E116	I110-E114 PolarHBondContact O-N 2.81Å; I110-E114 VanDerWaalsContact O-N 3.12Å; L112-E114 VanDerWaalsContact C-N 3.25Å; L112-E114 PolarHBondContact O-N 2.85Å; E114-E116 VanDerWaalsContact C-N 3.26Å; E114-E116 PolarHBondContact O-N 2.76Å
115	K	93.3	Very high	96.1	Very high	128 Å²	128	60.9 Å²	60.9	56%	0.557	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-81.8	-5.9	179.9	-60.8	175.1	-173.4	171.9	0	113	L112 L113 A117 N118	L112-K115 WeakPolarHBondContact O-CB 3.48Å; L112-K115 PolarHBondContact O-N 2.91Å; L113-K115 PolarHBondContact O-N 3.23Å; K115-A117 PolarHBondContact O-N 2.83Å; K115-N118 WeakPolarHBondContact O-CB 3.27Å; K115-N118 PolarHBondContact O-N 2.77Å; K115-N118 PolarHBondContact O-ND2 3.46Å
116	E	92.9	Very high	96.2	Very high	5 Å²	5	60.9 Å²	60.9	2%	0.023	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-61.5	-25.1	-177.7	-155.5	77.6	161.7	0	0	112.8	T62 G64 N65 L113 E114 N118 F119 L197	T62-E116 VanDerWaalsContact CB-OE1 3.27Å; T62-E116 WeakPolarHBondContact CB-OE1 3.36Å; T62-E116 WeakPolarHBondContact CB-OE2 3.45Å; T62-E116 PolarHBondContact OG1-OE1 3.32Å; T62-E116 PolarHBondContact OG1-OE2 2.77Å; G64-E116 VanDerWaalsContact C-OE1 3.32Å; G64-E116 WeakPolarHBondContact CA-OE1 3.32Å; G64-E116 PolarHBondContact N-OE1 2.98Å; N65-E116 WeakPolarHBondContact CB-OE2 3.44Å; N65-E116 PolarHBondContact N-OE1 2.91Å; L113-E116 WeakPolarHBondContact O-CB 3.48Å; L113-E116 PolarHBondContact O-N 2.93Å; E114-E116 VanDerWaalsContact C-N 3.26Å; E114-E116 PolarHBondContact O-N 2.76Å; E116-N118 PolarHBondContact O-N 2.84Å; E116-N118 VanDerWaalsContact O-N 3.12Å; E116-F119 VanDerWaalsContact O-CB 3.24Å; E116-F119 WeakPolarHBondContact O-CB 3.37Å; E116-F119 PolarHBondContact O-N 3.23Å; E116-L197 HydrophobicContact CB-CD2 4.16Å; E116-L197 HydrophobicContact CG-CD2 4.32Å
117	A	91.9	Very high	96.3	Very high	24 Å²	24	61.8 Å²	61.8	20%	0.198	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-51.9	-32.3	170.9	0	0	0	0	0	113.6	K115 F119 K120 E195	K115-A117 PolarHBondContact O-N 2.83Å; A117-F119 VanDerWaalsContact C-N 3.34Å; A117-K120 PolarHBondContact O-NZ 3.09Å; A117-E195 WeakPolarHBondContact CB-OE2 3.47Å
118	N	93.9	Very high	96.4	Very high	131 Å²	131	59.1 Å²	59.1	70%	0.701	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-79.4	-17.1	179.6	-59.1	-54.5	0	0	0	113.1	K115 E116	K115-N118 WeakPolarHBondContact O-CB 3.27Å; K115-N118 PolarHBondContact O-N 2.77Å; K115-N118 PolarHBondContact O-ND2 3.46Å; E116-N118 PolarHBondContact O-N 2.84Å; E116-N118 VanDerWaalsContact O-N 3.12Å
119	F	97.1	Very high	96.3	Very high	14 Å²	14	55.8 Å²	55.8	6%	0.061	30%	0.3	C	S	.	.			trans	-66.6	137.9	178	178.2	-106.2	0	0	0	110.7	G64 N65 E116 A117 F122 Y156 F187	G64-F119 WeakPolarHBondContact O-CZ 3.48Å; N65-F119 HydrophobicContact CB-CB 4.3Å; N65-F119 HydrophobicContact CB-CD2 3.7Å; N65-F119 HydrophobicContact CB-CE2 4.28Å; N65-F119 HydrophobicContact CB-CG 4.09Å; E116-F119 VanDerWaalsContact O-CB 3.24Å; E116-F119 WeakPolarHBondContact O-CB 3.37Å; E116-F119 PolarHBondContact O-N 3.23Å; A117-F119 VanDerWaalsContact C-N 3.34Å; F119-F122 HydrophobicContact CE2-CD2 4.4Å; F119-F122 AromaticContact CE2-CE2 3.56Å; F119-F122 HydrophobicContact CE2-CE2 3.56Å; F119-F122 AromaticContact CE2-CZ 3.97Å; F119-F122 HydrophobicContact CE2-CZ 3.97Å; F119-F122 HydrophobicContact CZ-CE2 4.07Å; F119-Y156 HydrophobicContact CE2-CD2 4.26Å; F119-Y156 HydrophobicContact CE2-CE2 4.31Å; F119-Y156 HydrophobicContact CZ-CE2 4.16Å; F119-F187 HydrophobicContact CE1-CD1 4.19Å; F119-F187 AromaticContact CE1-CE1 3.83Å; F119-F187 HydrophobicContact CE1-CE1 3.83Å; F119-F187 HydrophobicContact CZ-CD1 4.47Å; F119-F187 AromaticContact CZ-CE1 3.67Å; F119-F187 HydrophobicContact CZ-CE1 3.67Å; F119-F187 HydrophobicContact CZ-CZ 4.11Å
120	K	97.3	Very high	96.1	Very high	106 Å²	106	58.6 Å²	58.6	46%	0.461	32%	0.318	S	S	.	.			trans	-136.5	144.9	173.2	-56.7	-63.6	158.5	-134.6	0	109.4	A117 Y198	A117-K120 PolarHBondContact O-NZ 3.09Å; K120-Y198 HydrophobicContact CD-CE2 4.1Å
121	P	98.1	Very high	95.7	Very high	23 Å²	23	58.3 Å²	58.3	15%	0.149	32%	0.318	C	S	.	.			trans	-52	138.3	173.7	-30.9	38.1	0	0	0	112.6	H144 F187 Y198	P121-H144 VanDerWaalsContact CB-CE1 3.47Å; P121-H144 WeakPolarHBondContact CB-CE1 3.46Å; P121-H144 WeakPolarHBondContact CB-NE2 3.06Å; P121-F187 HydrophobicContact CB-CD2 3.59Å; P121-F187 HydrophobicContact CB-CE2 3.63Å; P121-F187 HydrophobicContact CB-CG 4.27Å; P121-F187 HydrophobicContact CB-CZ 4.37Å; P121-F187 HydrophobicContact CG-CB 4.39Å; P121-F187 HydrophobicContact CG-CD2 3.87Å; P121-F187 HydrophobicContact CG-CE2 4.3Å; P121-F187 HydrophobicContact CG-CG 4.07Å; P121-Y198 HydrophobicContact CG-CD1 3.37Å; P121-Y198 HydrophobicContact CG-CD2 4.17Å; P121-Y198 HydrophobicContact CG-CE1 3.75Å; P121-Y198 HydrophobicContact CG-CG 3.6Å
122	F	98.3	Very high	94.8	Very high	26 Å²	26	62.8 Å²	62.8	11%	0.114	33%	0.333	C	S	.	.			trans	-79.9	147.7	179	-59.1	-83.1	0	0	0	112.3	F119 H144 A146 F153 Y156 L185	F119-F122 HydrophobicContact CE2-CD2 4.4Å; F119-F122 AromaticContact CE2-CE2 3.56Å; F119-F122 HydrophobicContact CE2-CE2 3.56Å; F119-F122 AromaticContact CE2-CZ 3.97Å; F119-F122 HydrophobicContact CE2-CZ 3.97Å; F119-F122 HydrophobicContact CZ-CE2 4.07Å; F122-H144 VanDerWaalsContact O-CB 3.29Å; F122-H144 WeakPolarHBondContact O-CB 3.5Å; F122-A146 HydrophobicContact CB-CB 3.98Å; F122-F153 HydrophobicContact CB-CB 4.43Å; F122-F153 HydrophobicContact CB-CD2 3.87Å; F122-F153 HydrophobicContact CB-CG 4.4Å; F122-F153 HydrophobicContact CD1-CB 3.77Å; F122-F153 HydrophobicContact CD1-CD2 4.29Å; F122-F153 HydrophobicContact CD1-CG 4.5Å; F122-F153 AromaticContact CD2-CD2 3.78Å; F122-F153 HydrophobicContact CD2-CD2 3.78Å; F122-F153 HydrophobicContact CE1-CB 4.18Å; F122-F153 HydrophobicContact CE2-CD2 4.4Å; F122-F153 HydrophobicContact CG-CB 4.06Å; F122-F153 AromaticContact CG-CD2 3.72Å; F122-F153 HydrophobicContact CG-CD2 3.72Å; F122-F153 HydrophobicContact CG-CG 4.3Å; F122-Y156 AromaticContact CD2-CD1 3.84Å; F122-Y156 HydrophobicContact CD2-CD1 3.84Å; F122-Y156 HydrophobicContact CD2-CE1 4.17Å; F122-Y156 HydrophobicContact CD2-CG 4.05Å; F122-Y156 AromaticContact CE2-CD1 3.54Å; F122-Y156 HydrophobicContact CE2-CD1 3.54Å; F122-Y156 AromaticContact CE2-CD2 3.63Å; F122-Y156 HydrophobicContact CE2-CD2 3.63Å; F122-Y156 HydrophobicContact CE2-CE1 4.12Å; F122-Y156 HydrophobicContact CE2-CE2 4.19Å; F122-Y156 AromaticContact CE2-CG 3.25Å; F122-Y156 HydrophobicContact CE2-CG 3.25Å; F122-Y156 HydrophobicContact CZ-CD1 4.46Å; F122-Y156 HydrophobicContact CZ-CD2 4.35Å; F122-Y156 AromaticContact CZ-CG 3.91Å; F122-Y156 HydrophobicContact CZ-CG 3.91Å; F122-L185 HydrophobicContact CB-CD1 3.97Å; F122-L185 HydrophobicContact CD2-CD1 4.21Å
123	G	97.4	Very high	93.5	Very high	40 Å²	40	64.3 Å²	64.3	41%	0.412	34%	0.341	S	S	.	.	S	Bend	trans	77.6	-147.5	170.1	0	0	0	0	0	114.1	K145	G123-K145 CarbonylContact C-O 3.58Å; G123-K145 VanDerWaalsContact CA-O 3.28Å; G123-K145 WeakPolarHBondContact CA-O 3.27Å
124	T	98.1	Very high	91.8	Very high	97 Å²	97	73.8 Å²	73.8	60%	0.595	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	127	-173.8	-56.5	0	0	0	0	111.1	L126 H144 K145	T124-L126 PolarHBondContact O-N 3.48Å; T124-H144 CarbonylContact O-C 3.58Å; T124-H144 VanDerWaalsContact O-CA 3.29Å; T124-H144 WeakPolarHBondContact O-CA 3.48Å; T124-K145 PolarHBondContact N-O 3.43Å; T124-K145 PolarHBondContact O-N 3.25Å
125	M	98.4	Very high	90.4	Very high	99 Å²	99	75.9 Å²	75.9	49%	0.488	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	121.5	174.3	-170.7	-178.5	67.8	0	0	110.8	Q142 H144	M125-Q142 HydrophobicContact SD-CB 4.48Å; M125-Q142 HydrophobicContact SD-CG 4.06Å; M125-H144 WeakPolarHBondContact CA-ND1 3.47Å; M125-H144 PolarHBondContact N-ND1 2.93Å
126	L	98.3	Very high	88.5	Confident	61 Å²	61	72.4 Å²	72.4	32%	0.319	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-35.1	176.3	-63.3	-174.3	0	0	0	112.8	T124 I143 K145 F184 F245	T124-L126 PolarHBondContact O-N 3.48Å; L126-I143 PolarHBondContact N-O 2.91Å; L126-K145 HydrophobicContact CD1-CB 3.84Å; L126-K145 HydrophobicContact CD2-CB 4.24Å; L126-K145 HydrophobicContact CG-CB 4.01Å; L126-F184 HydrophobicContact CD1-CD1 3.73Å; L126-F184 HydrophobicContact CD1-CE1 3.71Å; L126-F245 HydrophobicContact CD1-CB 4.09Å; L126-F245 HydrophobicContact CD1-CD2 4.27Å; L126-F245 HydrophobicContact CD1-CG 4.27Å; L126-F245 HydrophobicContact CD2-CD2 4.01Å
127	H	98.1	Very high	87.3	Confident	50 Å²	50	80.2 Å²	80.2	23%	0.231	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	150.6	-173.1	-168.9	49.7	0	0	0	111.3	Y129 Q142 I143 A241 R244	H127-Y129 AromaticContact CD2-CD1 3.88Å; H127-Q142 CarbonylContact O-C 3.59Å; H127-Q142 WeakPolarHBondContact O-CA 3.43Å; H127-I143 HydrophobicContact CB-CB 4.29Å; H127-I143 HydrophobicContact CB-CD1 4.36Å; H127-I143 PolarHBondContact N-O 3.1Å; H127-I143 PolarHBondContact O-N 3.28Å; H127-A241 HydrophobicContact CB-CB 4.25Å; H127-R244 PolarHBondContact CD2-NH2 2.97Å; H127-R244 VanDerWaalsContact CD2-NH2 3.31Å; H127-R244 PolarHBondContact NE2-NH2 2.77Å
128	S	97.9	Very high	86.9	Confident	52 Å²	52	84.5 Å²	84.5	36%	0.364	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.3	167.5	-172.6	0	0	0	0	108.7	Y141	S128-Y141 VanDerWaalsContact CA-O 3.24Å; S128-Y141 WeakPolarHBondContact CA-O 3.44Å; S128-Y141 PolarHBondContact OG-O 3.33Å
129	Y	96.8	Very high	86.8	Confident	18 Å²	18	80.3 Å²	80.3	7%	0.071	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.9	179.9	64.3	-88.1	0	0	0	109.8	H127 V131 Y141 I143 H234 Q237	H127-Y129 AromaticContact CD2-CD1 3.88Å; Y129-V131 HydrophobicContact CD2-CG2 4.12Å; Y129-V131 HydrophobicContact CE2-CG2 4Å; Y129-Y141 HydrophobicContact CD2-CD2 4.06Å; Y129-Y141 HydrophobicContact CD2-CG 4.37Å; Y129-Y141 HydrophobicContact CE1-CG 4.48Å; Y129-Y141 AromaticContact CE2-CD2 3.56Å; Y129-Y141 HydrophobicContact CE2-CD2 3.56Å; Y129-Y141 HydrophobicContact CE2-CE2 4.43Å; Y129-Y141 AromaticContact CE2-CG 3.63Å; Y129-Y141 HydrophobicContact CE2-CG 3.63Å; Y129-Y141 AromaticContact CZ-CG 3.7Å; Y129-Y141 PolarHBondContact N-O 2.85Å; Y129-Y141 VanDerWaalsContact N-O 3.1Å; Y129-Y141 PolarHBondContact O-N 2.85Å; Y129-I143 HydrophobicContact CD1-CD1 4.4Å; Y129-I143 HydrophobicContact CE1-CD1 3.95Å; Y129-I143 HydrophobicContact CE1-CG1 4.11Å; Y129-H234 AromaticContact CE2-ND1 3.62Å; Y129-H234 AromaticContact CZ-ND1 3.71Å; Y129-H234 PolarHBondContact OH-ND1 2.95Å; Y129-Q237 HydrophobicContact CD1-CB 4.07Å; Y129-Q237 HydrophobicContact CD1-CG 4.05Å; Y129-Q237 HydrophobicContact CD2-CG 4.01Å; Y129-Q237 HydrophobicContact CE1-CB 3.68Å; Y129-Q237 HydrophobicContact CE1-CG 3.94Å; Y129-Q237 HydrophobicContact CE2-CB 4.46Å; Y129-Q237 HydrophobicContact CE2-CG 3.93Å; Y129-Q237 HydrophobicContact CG-CG 4.08Å
130	T	93.7	Very high	86.7	Confident	59 Å²	59	81.5 Å²	81.5	36%	0.362	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.5	177.9	61.3	0	0	0	0	111.1	Q138 L139 T140	T130-Q138 HydrophobicContact CG2-CG 3.9Å; T130-Q138 PolarHBondContact OG1-NE2 3.15Å; T130-L139 CarbonylContact C-O 3.5Å; T130-L139 WeakPolarHBondContact CA-O 3.33Å; T130-L139 WeakPolarHBondContact CB-O 3.29Å; T130-T140 HydrophobicContact CG2-CG2 4.32Å
131	V	87	Confident	86.8	Confident	41 Å²	41	76.6 Å²	76.6	25%	0.248	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.3	173.2	-176.7	0	0	0	0	107.7	Y129 L139 Y141	Y129-V131 HydrophobicContact CD2-CG2 4.12Å; Y129-V131 HydrophobicContact CE2-CG2 4Å; V131-L139 PolarHBondContact N-O 2.84Å; V131-L139 PolarHBondContact O-N 3.32Å; V131-L139 VanDerWaalsContact O-N 3.12Å; V131-Y141 HydrophobicContact CB-CE2 3.99Å; V131-Y141 HydrophobicContact CG2-CD2 4.06Å; V131-Y141 HydrophobicContact CG2-CE2 3.73Å
132	H	78.8	Confident	86.8	Confident	148 Å²	148	76.6 Å²	76.6	69%	0.685	41%	0.405	S	S	*	.			trans	-88.6	121.6	171.8	-73.3	72.1	0	0	0	107.7
133	N	68.3	Low	86.8	Confident	79 Å²	79	75.4 Å²	75.4	42%	0.422	40%	0.4	S	S	.	.			trans	-97.1	138.3	169.5	-169.2	-25.1	0	0	0	107.9	E135 A136	N133-E135 PolarHBondContact O-N 3.1Å; N133-E135 PolarHBondContact OD1-N 2.83Å; N133-A136 HydrophobicContact CB-CB 4.33Å; N133-A136 VanDerWaalsContact O-O 3.11Å
134	E	60.2	Low	86.9	Confident	203 Å²	203	74.1 Å²	74.1	95%	0.949	38%	0.383	S	S	*	.	S	Bend	trans	-63.8	-21.4	-179.9	-65.3	-174	165.8	0	0	112.3
135	E	62.4	Low	86.9	Confident	189 Å²	189	71.1 Å²	71.1	88%	0.883	36%	0.362	S	S	*	.	S	Bend	trans	-111.1	-5.3	-176.9	-64.8	-173.8	164.4	0	0	115.2	N133	N133-E135 PolarHBondContact O-N 3.1Å; N133-E135 PolarHBondContact OD1-N 2.83Å
136	A	54.2	Low	86.9	Confident	56 Å²	56	66.4 Å²	66.4	46%	0.463	34%	0.339	S	S	.	.	S	Bend	trans	-144	162.9	-175.7	0	0	0	0	0	114.5	N133	N133-A136 HydrophobicContact CB-CB 4.33Å; N133-A136 VanDerWaalsContact O-O 3.11Å
137	E	67.8	Low	86.6	Confident	168 Å²	168	66.3 Å²	66.3	79%	0.785	34%	0.339	S	S	*	.	S	Bend	trans	-47.2	158.2	172.4	-71.7	-176	154.3	0	0	112.9	L139	E137-L139 PolarHBondContact O-N 2.61Å
138	Q	82.1	Confident	86.3	Confident	114 Å²	114	67.1 Å²	67.1	53%	0.533	34%	0.344	S	S	.	.			trans	-53.9	103.5	175.9	-175.1	177.9	10.5	0	0	111.4	T130	T130-Q138 HydrophobicContact CG2-CG 3.9Å; T130-Q138 PolarHBondContact OG1-NE2 3.15Å
139	L	92.3	Very high	86	Confident	43 Å²	43	69.1 Å²	69.1	23%	0.225	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.7	178.3	-62.3	178.9	0	0	0	109.5	T130 V131 E137 Y141	T130-L139 CarbonylContact C-O 3.5Å; T130-L139 WeakPolarHBondContact CA-O 3.33Å; T130-L139 WeakPolarHBondContact CB-O 3.29Å; V131-L139 PolarHBondContact N-O 2.84Å; V131-L139 PolarHBondContact O-N 3.32Å; V131-L139 VanDerWaalsContact O-N 3.12Å; E137-L139 PolarHBondContact O-N 2.61Å; L139-Y141 HydrophobicContact CB-CE2 3.7Å
140	T	96.6	Very high	85.9	Confident	40 Å²	40	69.4 Å²	69.4	25%	0.245	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.8	-177	-59.5	0	0	0	0	110.8	T130 K189	T130-T140 HydrophobicContact CG2-CG2 4.32Å; T140-K189 HydrophobicContact CG2-CD 3.89Å; T140-K189 HydrophobicContact CG2-CG 4.45Å; T140-K189 WeakPolarHBondContact O-CB 3.28Å; T140-K189 PolarHBondContact O-N 2.82Å
141	Y	98.3	Very high	86	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.008	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.7	179.5	-58.8	-96.4	0	0	0	111	S128 Y129 V131 L139 F187 E188 V201 H234	S128-Y141 VanDerWaalsContact CA-O 3.24Å; S128-Y141 WeakPolarHBondContact CA-O 3.44Å; S128-Y141 PolarHBondContact OG-O 3.33Å; Y129-Y141 HydrophobicContact CD2-CD2 4.06Å; Y129-Y141 HydrophobicContact CD2-CG 4.37Å; Y129-Y141 HydrophobicContact CE1-CG 4.48Å; Y129-Y141 AromaticContact CE2-CD2 3.56Å; Y129-Y141 HydrophobicContact CE2-CD2 3.56Å; Y129-Y141 HydrophobicContact CE2-CE2 4.43Å; Y129-Y141 AromaticContact CE2-CG 3.63Å; Y129-Y141 HydrophobicContact CE2-CG 3.63Å; Y129-Y141 AromaticContact CZ-CG 3.7Å; Y129-Y141 PolarHBondContact N-O 2.85Å; Y129-Y141 VanDerWaalsContact N-O 3.1Å; Y129-Y141 PolarHBondContact O-N 2.85Å; V131-Y141 HydrophobicContact CB-CE2 3.99Å; V131-Y141 HydrophobicContact CG2-CD2 4.06Å; V131-Y141 HydrophobicContact CG2-CE2 3.73Å; L139-Y141 HydrophobicContact CB-CE2 3.7Å; Y141-F187 CarbonylContact C-O 3.52Å; Y141-F187 WeakPolarHBondContact CA-O 3.45Å; Y141-E188 HydrophobicContact CD1-CB 3.73Å; Y141-E188 HydrophobicContact CD1-CG 4.03Å; Y141-E188 HydrophobicContact CE1-CB 3.59Å; Y141-E188 HydrophobicContact CE1-CG 3.61Å; Y141-V201 HydrophobicContact CD1-CG2 4.06Å; Y141-V201 HydrophobicContact CE1-CG2 4.05Å; Y141-H234 AromaticContact CD1-CE1 3.86Å; Y141-H234 AromaticContact CE1-CE1 3.39Å; Y141-H234 WeakPolarHBondContact CE1-CE1 3.48Å; Y141-H234 AromaticContact CE1-NE2 3.41Å; Y141-H234 WeakPolarHBondContact CE1-NE2 3.49Å; Y141-H234 AromaticContact CE2-CE1 3.73Å; Y141-H234 AromaticContact CZ-CE1 3.33Å; Y141-H234 AromaticContact CZ-NE2 3.6Å
142	Q	98.6	Very high	86.4	Confident	24 Å²	24	72.3 Å²	72.3	11%	0.112	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.3	177.2	-62.4	-175.5	-17.6	0	0	110.7	M125 H127 H144 V186 F187 K189	M125-Q142 HydrophobicContact SD-CB 4.48Å; M125-Q142 HydrophobicContact SD-CG 4.06Å; H127-Q142 CarbonylContact O-C 3.59Å; H127-Q142 WeakPolarHBondContact O-CA 3.43Å; Q142-H144 WeakPolarHBondContact CB-NE2 3.49Å; Q142-H144 PolarHBondContact OE1-NE2 3.41Å; Q142-V186 WeakPolarHBondContact O-CA 3.19Å; Q142-F187 PolarHBondContact N-O 3.07Å; Q142-F187 PolarHBondContact O-N 3.42Å; Q142-K189 HydrophobicContact CG-CD 4.47Å
143	I	98.9	Very high	87.2	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.8	172.2	-60	164.8	0	0	0	107.6	L126 H127 Y129 L185 V186 Q237 L238 A241	L126-I143 PolarHBondContact N-O 2.91Å; H127-I143 HydrophobicContact CB-CB 4.29Å; H127-I143 HydrophobicContact CB-CD1 4.36Å; H127-I143 PolarHBondContact N-O 3.1Å; H127-I143 PolarHBondContact O-N 3.28Å; Y129-I143 HydrophobicContact CD1-CD1 4.4Å; Y129-I143 HydrophobicContact CE1-CD1 3.95Å; Y129-I143 HydrophobicContact CE1-CG1 4.11Å; I143-L185 CarbonylContact C-O 3.56Å; I143-L185 VanDerWaalsContact CA-O 3.25Å; I143-L185 WeakPolarHBondContact CA-O 3.39Å; I143-V186 HydrophobicContact CG1-CG1 4.42Å; I143-V186 HydrophobicContact CG1-CG2 4.26Å; I143-Q237 HydrophobicContact CD1-CB 4.11Å; I143-Q237 WeakPolarHBondContact CD1-O 2.95Å; I143-L238 HydrophobicContact CG2-CD1 3.84Å; I143-A241 HydrophobicContact CB-CB 4.5Å; I143-A241 HydrophobicContact CD1-CB 3.67Å; I143-A241 HydrophobicContact CG2-CB 4.17Å
144	H	98.8	Very high	88.5	Confident	13 Å²	13	65.2 Å²	65.2	6%	0.06	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.6	-179.7	-68.6	-111.6	0	0	0	110.6	P121 F122 T124 M125 Q142 F184 L185 F187	P121-H144 VanDerWaalsContact CB-CE1 3.47Å; P121-H144 WeakPolarHBondContact CB-CE1 3.46Å; P121-H144 WeakPolarHBondContact CB-NE2 3.06Å; F122-H144 VanDerWaalsContact O-CB 3.29Å; F122-H144 WeakPolarHBondContact O-CB 3.5Å; T124-H144 CarbonylContact O-C 3.58Å; T124-H144 VanDerWaalsContact O-CA 3.29Å; T124-H144 WeakPolarHBondContact O-CA 3.48Å; M125-H144 WeakPolarHBondContact CA-ND1 3.47Å; M125-H144 PolarHBondContact N-ND1 2.93Å; Q142-H144 WeakPolarHBondContact CB-NE2 3.49Å; Q142-H144 PolarHBondContact OE1-NE2 3.41Å; H144-F184 CarbonylContact O-C 3.5Å; H144-F184 VanDerWaalsContact O-CA 3.28Å; H144-F184 WeakPolarHBondContact O-CA 3.25Å; H144-L185 PolarHBondContact N-O 2.83Å; H144-L185 PolarHBondContact O-N 2.83Å; H144-F187 AromaticContact CD2-CD2 3.96Å
145	K	98.4	Very high	90.2	Very high	34 Å²	34	60.1 Å²	60.1	15%	0.148	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.6	166.7	-178.7	-173.2	-176.6	-62.1	0	109	G123 T124 L126 D182 F183 F184 F245	G123-K145 CarbonylContact C-O 3.58Å; G123-K145 VanDerWaalsContact CA-O 3.28Å; G123-K145 WeakPolarHBondContact CA-O 3.27Å; T124-K145 PolarHBondContact N-O 3.43Å; T124-K145 PolarHBondContact O-N 3.25Å; L126-K145 HydrophobicContact CD1-CB 3.84Å; L126-K145 HydrophobicContact CD2-CB 4.24Å; L126-K145 HydrophobicContact CG-CB 4.01Å; K145-D182 WeakPolarHBondContact CE-OD1 3.13Å; K145-D182 IonicContact NZ-OD1 3.52Å; K145-D182 PolarHBondContact NZ-OD1 2.93Å; K145-F183 CarbonylContact C-O 3.53Å; K145-F183 WeakPolarHBondContact CA-O 3.3Å; K145-F184 HydrophobicContact CB-CD1 4.16Å; K145-F184 HydrophobicContact CB-CE1 4.16Å; K145-F184 HydrophobicContact CD-CE1 4.14Å; K145-F184 HydrophobicContact CD-CZ 4.37Å; K145-F184 HydrophobicContact CG-CD1 4.32Å; K145-F184 HydrophobicContact CG-CE1 4.03Å; K145-F184 HydrophobicContact CG-CZ 4.43Å; K145-F245 HydrophobicContact CD-CD1 4.48Å; K145-F245 HydrophobicContact CD-CD2 4.3Å; K145-F245 HydrophobicContact CD-CE1 3.85Å; K145-F245 HydrophobicContact CD-CE2 3.65Å; K145-F245 HydrophobicContact CD-CZ 3.41Å; K145-F245 VanDerWaalsContact CD-CZ 3.41Å
146	A	96.9	Very high	91.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	168.6	175.2	0	0	0	0	0	110.9	F122 F153 F183 L185	F122-A146 HydrophobicContact CB-CB 3.98Å; A146-F153 HydrophobicContact CB-CD1 4.32Å; A146-F153 HydrophobicContact CB-CD2 4.14Å; A146-F153 HydrophobicContact CB-CE1 4.23Å; A146-F153 HydrophobicContact CB-CE2 4.06Å; A146-F153 HydrophobicContact CB-CG 4.28Å; A146-F153 HydrophobicContact CB-CZ 4.1Å; A146-F183 PolarHBondContact N-O 2.87Å; A146-F183 PolarHBondContact O-N 3.04Å; A146-L185 HydrophobicContact CB-CD1 4.01Å
147	D	93.2	Very high	94	Very high	58 Å²	58	48.6 Å²	48.6	31%	0.31	27%	0.267	S	S	.	.			trans	-144.5	168.3	169.2	58.7	55.2	0	0	0	108.6	S149 C150 F153	D147-S149 PolarHBondContact O-N 2.93Å; D147-S149 VanDerWaalsContact O-N 3.08Å; D147-S149 WeakPolarHBondContact OD1-CA 3.09Å; D147-S149 VanDerWaalsContact OD1-CB 3.22Å; D147-S149 WeakPolarHBondContact OD1-CB 3.5Å; D147-S149 PolarHBondContact OD1-N 3.28Å; D147-S149 PolarHBondContact OD1-OG 3.5Å; D147-C150 VanDerWaalsContact O-CB 3.27Å; D147-C150 WeakPolarHBondContact O-CB 3.45Å; D147-C150 PolarHBondContact O-N 2.85Å; D147-C150 PolarHBondContact O-SG 2.73Å; D147-F153 VanDerWaalsContact O-CD1 3.23Å; D147-F153 WeakPolarHBondContact O-CD1 3.27Å
148	I	91.5	Very high	95.4	Very high	67 Å²	67	43.4 Å²	43.4	34%	0.344	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.7	-177.6	57.5	140	0	0	0	114.2	C150 I176 F183	I148-C150 PolarHBondContact O-N 2.83Å; I148-I176 HydrophobicContact CG2-CB 4.17Å; I148-F183 HydrophobicContact CG2-CE2 4.15Å; I148-F183 HydrophobicContact CG2-CZ 4.48Å
149	S	91.7	Very high	96.1	Very high	94 Å²	94	39.7 Å²	39.7	66%	0.657	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.2	176.3	81.9	0	0	0	0	112.9	D147 P151	D147-S149 PolarHBondContact O-N 2.93Å; D147-S149 VanDerWaalsContact O-N 3.08Å; D147-S149 WeakPolarHBondContact OD1-CA 3.09Å; D147-S149 VanDerWaalsContact OD1-CB 3.22Å; D147-S149 WeakPolarHBondContact OD1-CB 3.5Å; D147-S149 PolarHBondContact OD1-N 3.28Å; D147-S149 PolarHBondContact OD1-OG 3.5Å; S149-P151 WeakPolarHBondContact O-CD 3.35Å
150	C	94.6	Very high	96.4	Very high	24 Å²	24	37.7 Å²	37.7	16%	0.162	21%	0.214	C	C	.	.	S	Bend	trans	-66.4	120.5	174.6	-67.6	0	0	0	0	110.3	D147 I148 G152 F153	D147-C150 VanDerWaalsContact O-CB 3.27Å; D147-C150 WeakPolarHBondContact O-CB 3.45Å; D147-C150 PolarHBondContact O-N 2.85Å; D147-C150 PolarHBondContact O-SG 2.73Å; I148-C150 PolarHBondContact O-N 2.83Å; C150-G152 PolarHBondContact O-N 2.84Å; C150-F153 HydrophobicContact CB-CB 3.65Å; C150-F153 HydrophobicContact CB-CG 4.36Å; C150-F153 VanDerWaalsContact O-CB 3.25Å; C150-F153 WeakPolarHBondContact O-CB 3.4Å; C150-F153 PolarHBondContact O-N 2.85Å
151	P	95.5	Very high	96.5	Very high	124 Å²	124	36.7 Å²	36.7	81%	0.805	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	129.2	-179.8	-26.3	35.1	0	0	0	112.4	S149 F153	S149-P151 WeakPolarHBondContact O-CD 3.35Å; P151-F153 PolarHBondContact O-N 2.9Å
152	G	95.1	Very high	96.4	Very high	37 Å²	37	36.6 Å²	36.6	38%	0.381	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-4.9	-179.6	0	0	0	0	0	115.2	C150 E155 Y156	C150-G152 PolarHBondContact O-N 2.84Å; G152-E155 VanDerWaalsContact C-OE2 3.28Å; G152-E155 WeakPolarHBondContact CA-OE2 3.39Å; G152-Y156 WeakPolarHBondContact O-CB 3.19Å; G152-Y156 PolarHBondContact O-N 2.78Å
153	F	96.7	Very high	96.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-72.5	-35.9	-177.4	177.4	-114.5	0	0	0	112.2	F122 A146 D147 C150 P151 Y156 H157 F183 L185	F122-F153 HydrophobicContact CB-CB 4.43Å; F122-F153 HydrophobicContact CB-CD2 3.87Å; F122-F153 HydrophobicContact CB-CG 4.4Å; F122-F153 HydrophobicContact CD1-CB 3.77Å; F122-F153 HydrophobicContact CD1-CD2 4.29Å; F122-F153 HydrophobicContact CD1-CG 4.5Å; F122-F153 AromaticContact CD2-CD2 3.78Å; F122-F153 HydrophobicContact CD2-CD2 3.78Å; F122-F153 HydrophobicContact CE1-CB 4.18Å; F122-F153 HydrophobicContact CE2-CD2 4.4Å; F122-F153 HydrophobicContact CG-CB 4.06Å; F122-F153 AromaticContact CG-CD2 3.72Å; F122-F153 HydrophobicContact CG-CD2 3.72Å; F122-F153 HydrophobicContact CG-CG 4.3Å; A146-F153 HydrophobicContact CB-CD1 4.32Å; A146-F153 HydrophobicContact CB-CD2 4.14Å; A146-F153 HydrophobicContact CB-CE1 4.23Å; A146-F153 HydrophobicContact CB-CE2 4.06Å; A146-F153 HydrophobicContact CB-CG 4.28Å; A146-F153 HydrophobicContact CB-CZ 4.1Å; D147-F153 VanDerWaalsContact O-CD1 3.23Å; D147-F153 WeakPolarHBondContact O-CD1 3.27Å; C150-F153 HydrophobicContact CB-CB 3.65Å; C150-F153 HydrophobicContact CB-CG 4.36Å; C150-F153 VanDerWaalsContact O-CB 3.25Å; C150-F153 WeakPolarHBondContact O-CB 3.4Å; C150-F153 PolarHBondContact O-N 2.85Å; P151-F153 PolarHBondContact O-N 2.9Å; F153-Y156 AromaticContact CD2-CD1 3.84Å; F153-Y156 HydrophobicContact CD2-CD1 3.84Å; F153-Y156 AromaticContact CE2-CD1 3.83Å; F153-Y156 HydrophobicContact CE2-CD1 3.83Å; F153-Y156 HydrophobicContact CE2-CE1 4.18Å; F153-Y156 PolarHBondContact O-N 2.8Å; F153-H157 HydrophobicContact CE1-CB 4.43Å; F153-H157 HydrophobicContact CE2-CB 4.39Å; F153-H157 HydrophobicContact CZ-CB 4.17Å; F153-H157 WeakPolarHBondContact O-CB 3.21Å; F153-H157 PolarHBondContact O-N 3.31Å; F153-F183 HydrophobicContact CE1-CB 3.99Å; F153-F183 HydrophobicContact CE1-CD1 4.02Å; F153-F183 AromaticContact CE1-CD2 3.63Å; F153-F183 HydrophobicContact CE1-CD2 3.63Å; F153-F183 HydrophobicContact CE1-CE1 4.42Å; F153-F183 HydrophobicContact CE1-CE2 4.07Å; F153-F183 AromaticContact CE1-CG 3.6Å; F153-F183 HydrophobicContact CE1-CG 3.6Å; F153-F183 HydrophobicContact CE1-CZ 4.44Å; F153-F183 HydrophobicContact CZ-CB 3.56Å; F153-F183 AromaticContact CZ-CD1 3.76Å; F153-F183 HydrophobicContact CZ-CD1 3.76Å; F153-F183 HydrophobicContact CZ-CD2 4.06Å; F153-F183 HydrophobicContact CZ-CE1 4.48Å; F153-F183 AromaticContact CZ-CG 3.52Å; F153-F183 HydrophobicContact CZ-CG 3.52Å; F153-L185 HydrophobicContact CD2-CD1 4.22Å; F153-L185 HydrophobicContact CE2-CD1 3.68Å; F153-L185 HydrophobicContact CE2-CD2 4.07Å; F153-L185 HydrophobicContact CE2-CG 4.35Å
154	Q	95.3	Very high	96.4	Very high	79 Å²	79	35.5 Å²	35.5	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-51.7	178.2	175.1	174.3	-11.2	0	0	110.9	Y156 H157 E158 I176	Q154-Y156 VanDerWaalsContact C-N 3.27Å; Q154-Y156 PolarHBondContact O-N 3.06Å; Q154-H157 PolarHBondContact O-N 2.86Å; Q154-H157 VanDerWaalsContact O-N 3.14Å; Q154-E158 PolarHBondContact NE2-OE1 3.14Å; Q154-E158 WeakPolarHBondContact O-CG 3.44Å; Q154-E158 PolarHBondContact O-N 2.81Å; Q154-I176 VanDerWaalsContact CD-CD1 3.47Å; Q154-I176 HydrophobicContact CG-CD1 3.61Å; Q154-I176 VanDerWaalsContact NE2-CD1 3.27Å
155	E	96	Very high	96.3	Very high	96 Å²	96	35.7 Å²	35.7	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-64.5	-35.5	-179.9	-59.4	85.1	167.6	0	0	111.2	G152 R159	G152-E155 VanDerWaalsContact C-OE2 3.28Å; G152-E155 WeakPolarHBondContact CA-OE2 3.39Å; E155-R159 PolarHBondContact O-N 3.46Å; E155-R159 PolarHBondContact O-NH1 3.39Å
156	Y	97.8	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-45.7	172.7	168.4	-94.3	0	0	0	112.3	G64 L66 F119 F122 G152 F153 Q154 E158 R159 L160 L185 F187 T200	G64-Y156 WeakPolarHBondContact O-CE2 3.4Å; L66-Y156 HydrophobicContact CD1-CD2 4.27Å; L66-Y156 HydrophobicContact CD1-CE2 3.65Å; L66-Y156 HydrophobicContact CG-CD2 4.47Å; L66-Y156 HydrophobicContact CG-CE2 3.89Å; F119-Y156 HydrophobicContact CE2-CD2 4.26Å; F119-Y156 HydrophobicContact CE2-CE2 4.31Å; F119-Y156 HydrophobicContact CZ-CE2 4.16Å; F122-Y156 AromaticContact CD2-CD1 3.84Å; F122-Y156 HydrophobicContact CD2-CD1 3.84Å; F122-Y156 HydrophobicContact CD2-CE1 4.17Å; F122-Y156 HydrophobicContact CD2-CG 4.05Å; F122-Y156 AromaticContact CE2-CD1 3.54Å; F122-Y156 HydrophobicContact CE2-CD1 3.54Å; F122-Y156 AromaticContact CE2-CD2 3.63Å; F122-Y156 HydrophobicContact CE2-CD2 3.63Å; F122-Y156 HydrophobicContact CE2-CE1 4.12Å; F122-Y156 HydrophobicContact CE2-CE2 4.19Å; F122-Y156 AromaticContact CE2-CG 3.25Å; F122-Y156 HydrophobicContact CE2-CG 3.25Å; F122-Y156 HydrophobicContact CZ-CD1 4.46Å; F122-Y156 HydrophobicContact CZ-CD2 4.35Å; F122-Y156 AromaticContact CZ-CG 3.91Å; F122-Y156 HydrophobicContact CZ-CG 3.91Å; G152-Y156 WeakPolarHBondContact O-CB 3.19Å; G152-Y156 PolarHBondContact O-N 2.78Å; F153-Y156 AromaticContact CD2-CD1 3.84Å; F153-Y156 HydrophobicContact CD2-CD1 3.84Å; F153-Y156 AromaticContact CE2-CD1 3.83Å; F153-Y156 HydrophobicContact CE2-CD1 3.83Å; F153-Y156 HydrophobicContact CE2-CE1 4.18Å; F153-Y156 PolarHBondContact O-N 2.8Å; Q154-Y156 VanDerWaalsContact C-N 3.27Å; Q154-Y156 PolarHBondContact O-N 3.06Å; Y156-E158 VanDerWaalsContact C-N 3.3Å; Y156-E158 PolarHBondContact O-N 3.47Å; Y156-R159 PolarHBondContact O-N 3.22Å; Y156-R159 VanDerWaalsContact O-N 3.17Å; Y156-L160 HydrophobicContact CE1-CB 4.5Å; Y156-L160 HydrophobicContact CE1-CD2 3.8Å; Y156-L160 PolarHBondContact O-N 3.15Å; Y156-L185 HydrophobicContact CE1-CD1 4.31Å; Y156-L185 HydrophobicContact CE1-CD2 4.02Å; Y156-F187 WeakPolarHBondContact OH-CE1 3.22Å; Y156-T200 WeakPolarHBondContact OH-CG2 3.49Å; Y156-T200 PolarHBondContact OH-OG1 2.8Å
157	H	97.6	Very high	96.4	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-38	178	177.7	-97.9	0	0	0	111.2	F153 Q154 R159 L160 Q161 F183 Y203	F153-H157 HydrophobicContact CE1-CB 4.43Å; F153-H157 HydrophobicContact CE2-CB 4.39Å; F153-H157 HydrophobicContact CZ-CB 4.17Å; F153-H157 WeakPolarHBondContact O-CB 3.21Å; F153-H157 PolarHBondContact O-N 3.31Å; Q154-H157 PolarHBondContact O-N 2.86Å; Q154-H157 VanDerWaalsContact O-N 3.14Å; H157-R159 VanDerWaalsContact C-N 3.26Å; H157-R159 PolarHBondContact O-N 3.33Å; H157-L160 PolarHBondContact O-N 2.93Å; H157-L160 VanDerWaalsContact O-N 3.14Å; H157-Q161 PolarHBondContact CE1-OE1 2.68Å; H157-Q161 WeakPolarHBondContact O-CB 3.43Å; H157-Q161 WeakPolarHBondContact O-CG 3.2Å; H157-Q161 PolarHBondContact O-N 2.86Å; H157-F183 AromaticContact CD2-CD1 3.83Å; H157-F183 AromaticContact CD2-CE1 3.62Å; H157-F183 AromaticContact CE1-CE1 3.97Å; H157-F183 AromaticContact NE2-CE1 3.5Å; H157-Y203 AromaticContact CD2-CE2 3.81Å; H157-Y203 AromaticContact NE2-CE2 3.68Å
158	E	96.9	Very high	96.5	Very high	58 Å²	58	34.1 Å²	34.1	27%	0.271	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-35.8	174.7	-74	171.6	-172.2	0	0	112.8	P99 Q154 Y156 Q161	P99-E158 HydrophobicContact CB-CB 4.08Å; P99-E158 HydrophobicContact CG-CB 4.16Å; Q154-E158 PolarHBondContact NE2-OE1 3.14Å; Q154-E158 WeakPolarHBondContact O-CG 3.44Å; Q154-E158 PolarHBondContact O-N 2.81Å; Y156-E158 VanDerWaalsContact C-N 3.3Å; Y156-E158 PolarHBondContact O-N 3.47Å; E158-Q161 WeakPolarHBondContact O-CG 3.4Å
159	R	98.3	Very high	96.7	Very high	37 Å²	37	36.1 Å²	36.1	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-75.2	-38.4	173.3	-64.3	-176	-56.3	-88	3.7	112.2	N65 L66 P99 E155 Y156 H157	N65-R159 PolarHBondContact ND2-NH2 3.23Å; N65-R159 VanDerWaalsContact O-CZ 3.27Å; N65-R159 PolarHBondContact O-NE 3.43Å; N65-R159 PolarHBondContact O-NH2 2.89Å; N65-R159 PolarHBondContact OD1-NH2 3.06Å; L66-R159 HydrophobicContact CB-CB 4.08Å; L66-R159 WeakPolarHBondContact O-CD 3.4Å; L66-R159 PolarHBondContact O-NE 2.83Å; P99-R159 HydrophobicContact CG-CB 4.4Å; P99-R159 HydrophobicContact CG-CG 3.52Å; E155-R159 PolarHBondContact O-N 3.46Å; E155-R159 PolarHBondContact O-NH1 3.39Å; Y156-R159 PolarHBondContact O-N 3.22Å; Y156-R159 VanDerWaalsContact O-N 3.17Å; H157-R159 VanDerWaalsContact C-N 3.26Å; H157-R159 PolarHBondContact O-N 3.33Å
160	L	98.3	Very high	96.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.8	-39.1	-178.7	179.6	56.6	0	0	0	112.7	L66 Y156 H157 T162 F163 L185 T200 Y203	L66-L160 HydrophobicContact CD1-CB 3.72Å; L66-L160 HydrophobicContact CD1-CD1 3.83Å; L66-L160 HydrophobicContact CD1-CG 4.29Å; Y156-L160 HydrophobicContact CE1-CB 4.5Å; Y156-L160 HydrophobicContact CE1-CD2 3.8Å; Y156-L160 PolarHBondContact O-N 3.15Å; H157-L160 PolarHBondContact O-N 2.93Å; H157-L160 VanDerWaalsContact O-N 3.14Å; L160-T162 PolarHBondContact O-N 2.83Å; L160-F163 HydrophobicContact CD1-CD2 4.14Å; L160-F163 WeakPolarHBondContact O-CB 3.24Å; L160-F163 WeakPolarHBondContact O-CD2 3.47Å; L160-F163 PolarHBondContact O-N 3.22Å; L160-F163 VanDerWaalsContact O-N 3.12Å; L160-L185 HydrophobicContact CD2-CD2 4.14Å; L160-T200 HydrophobicContact CD1-CG2 4.12Å; L160-Y203 HydrophobicContact CD1-CD1 4.32Å; L160-Y203 HydrophobicContact CD1-CE1 4.48Å; L160-Y203 HydrophobicContact CD2-CD1 3.79Å; L160-Y203 HydrophobicContact CD2-CD2 3.92Å; L160-Y203 HydrophobicContact CD2-CE1 4.17Å; L160-Y203 HydrophobicContact CD2-CE2 4.28Å; L160-Y203 HydrophobicContact CD2-CG 3.65Å; L160-Y203 HydrophobicContact CG-CD1 4.01Å; L160-Y203 HydrophobicContact CG-CE1 3.98Å; L160-Y203 HydrophobicContact CG-CG 4.35Å
161	Q	97.4	Very high	96.6	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.093	20%	0.196	C	C	.	.	H	α-helix	trans	-66.6	-22.7	-175.1	68.4	-179.3	-14.8	0	0	113	H157 E158 F163 L164 F173	H157-Q161 PolarHBondContact CE1-OE1 2.68Å; H157-Q161 WeakPolarHBondContact O-CB 3.43Å; H157-Q161 WeakPolarHBondContact O-CG 3.2Å; H157-Q161 PolarHBondContact O-N 2.86Å; E158-Q161 WeakPolarHBondContact O-CG 3.4Å; Q161-F163 PolarHBondContact O-N 3.38Å; Q161-L164 VanDerWaalsContact O-CB 3.25Å; Q161-L164 WeakPolarHBondContact O-CB 3.5Å; Q161-L164 WeakPolarHBondContact O-CG 3.36Å; Q161-L164 PolarHBondContact O-N 2.87Å; Q161-F173 HydrophobicContact CB-CD1 4.01Å; Q161-F173 HydrophobicContact CB-CE1 4.07Å; Q161-F173 HydrophobicContact CG-CD1 3.68Å; Q161-F173 HydrophobicContact CG-CE1 3.63Å; Q161-F173 HydrophobicContact CG-CG 4.32Å; Q161-F173 HydrophobicContact CG-CZ 4.2Å; Q161-F173 WeakPolarHBondContact O-CE1 3.41Å
162	T	97.8	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.8	-34.6	173.3	-50.6	0	0	0	0	111.3	I97 I98 L160 L164 M165 W166	I97-T162 HydrophobicContact CD1-CG2 3.8Å; I97-T162 HydrophobicContact CG1-CG2 4.13Å; I97-T162 PolarHBondContact O-OG1 3.26Å; I98-T162 HydrophobicContact CG2-CG2 3.66Å; L160-T162 PolarHBondContact O-N 2.83Å; T162-L164 PolarHBondContact O-N 3.19Å; T162-M165 WeakPolarHBondContact O-CB 3.36Å; T162-M165 PolarHBondContact O-N 3.42Å; T162-M165 VanDerWaalsContact O-N 3.15Å; T162-W166 PolarHBondContact O-NE1 2.89Å
163	F	98.7	Very high	96.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-25.3	177	-69.5	-80.9	0	0	0	113.5	L18 L20 F34 Y61 L66 L160 Q161 M165 W166 F167 L224 L226	L18-F163 HydrophobicContact CD1-CD1 4.46Å; L18-F163 HydrophobicContact CD1-CE1 4.46Å; L20-F163 HydrophobicContact CD2-CZ 4.1Å; F34-F163 HydrophobicContact CE2-CE1 4.21Å; F34-F163 HydrophobicContact CZ-CE1 4.02Å; Y61-F163 HydrophobicContact CD1-CE2 4.08Å; Y61-F163 HydrophobicContact CD1-CZ 4.1Å; Y61-F163 HydrophobicContact CD2-CE1 4.14Å; Y61-F163 HydrophobicContact CD2-CE2 4.23Å; Y61-F163 AromaticContact CD2-CZ 3.43Å; Y61-F163 HydrophobicContact CD2-CZ 3.43Å; Y61-F163 VanDerWaalsContact CD2-CZ 3.43Å; Y61-F163 HydrophobicContact CE1-CE2 4.06Å; Y61-F163 HydrophobicContact CE1-CZ 4.17Å; Y61-F163 AromaticContact CE2-CE1 3.95Å; Y61-F163 HydrophobicContact CE2-CE1 3.95Å; Y61-F163 HydrophobicContact CE2-CE2 4.2Å; Y61-F163 AromaticContact CE2-CZ 3.51Å; Y61-F163 HydrophobicContact CE2-CZ 3.51Å; Y61-F163 HydrophobicContact CG-CE2 4.17Å; Y61-F163 AromaticContact CG-CZ 3.74Å; Y61-F163 HydrophobicContact CG-CZ 3.74Å; Y61-F163 AromaticContact CZ-CZ 3.9Å; L66-F163 HydrophobicContact CD1-CE2 4.48Å; L66-F163 HydrophobicContact CD2-CE2 4.39Å; L160-F163 HydrophobicContact CD1-CD2 4.14Å; L160-F163 WeakPolarHBondContact O-CB 3.24Å; L160-F163 WeakPolarHBondContact O-CD2 3.47Å; L160-F163 PolarHBondContact O-N 3.22Å; L160-F163 VanDerWaalsContact O-N 3.12Å; Q161-F163 PolarHBondContact O-N 3.38Å; F163-M165 VanDerWaalsContact C-N 3.28Å; F163-M165 PolarHBondContact O-N 3.46Å; F163-W166 PolarHBondContact O-N 3.17Å; F163-F167 HydrophobicContact CB-CD2 4.42Å; F163-F167 HydrophobicContact CD1-CE2 4.15Å; F163-F167 WeakPolarHBondContact O-CD2 3.35Å; F163-F167 PolarHBondContact O-N 3.31Å; F163-L224 HydrophobicContact CB-CD2 3.58Å; F163-L226 HydrophobicContact CB-CD2 4.03Å; F163-L226 HydrophobicContact CD1-CD2 3.6Å; F163-L226 HydrophobicContact CD2-CD2 4.09Å; F163-L226 HydrophobicContact CE1-CD2 3.98Å; F163-L226 HydrophobicContact CE2-CD2 4.43Å; F163-L226 HydrophobicContact CG-CD2 3.64Å; F163-L226 HydrophobicContact CZ-CD2 4.36Å
164	L	98	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-35.4	176.6	-59.5	-172.5	0	0	0	112.2	Q161 T162 W166 F167 I168 A171 Y203 Q222 L224	Q161-L164 VanDerWaalsContact O-CB 3.25Å; Q161-L164 WeakPolarHBondContact O-CB 3.5Å; Q161-L164 WeakPolarHBondContact O-CG 3.36Å; Q161-L164 PolarHBondContact O-N 2.87Å; T162-L164 PolarHBondContact O-N 3.19Å; L164-W166 PolarHBondContact O-N 2.81Å; L164-F167 PolarHBondContact O-N 2.81Å; L164-I168 HydrophobicContact CD2-CD1 3.79Å; L164-I168 HydrophobicContact CD2-CG1 4.42Å; L164-I168 PolarHBondContact O-N 3.44Å; L164-A171 HydrophobicContact CB-CB 3.85Å; L164-A171 WeakPolarHBondContact O-CB 3.48Å; L164-Y203 WeakPolarHBondContact CD1-OH 3.25Å; L164-Y203 HydrophobicContact CD2-CE1 3.72Å; L164-Y203 HydrophobicContact CG-CE1 4.29Å; L164-Y203 WeakPolarHBondContact CG-OH 3.41Å; L164-Q222 HydrophobicContact CD1-CB 3.88Å; L164-Q222 HydrophobicContact CD1-CG 3.68Å; L164-Q222 HydrophobicContact CD2-CB 4.27Å; L164-L224 HydrophobicContact CD2-CB 4.04Å; L164-L224 HydrophobicContact CD2-CD2 4.13Å
165	M	97.6	Very high	95.8	Very high	17 Å²	17	38.3 Å²	38.3	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-24.5	178.4	-54	-56.8	-68.7	0	0	112	Q41 L42 I97 T162 F163 A171 F173	Q41-M165 HydrophobicContact CB-CE 4.09Å; L42-M165 HydrophobicContact CD1-CB 4.46Å; L42-M165 HydrophobicContact CD1-CE 4.1Å; I97-M165 HydrophobicContact CD1-CB 4.26Å; I97-M165 HydrophobicContact CD1-CG 4.29Å; I97-M165 HydrophobicContact CG2-CE 4.31Å; I97-M165 HydrophobicContact CG2-CG 4.48Å; T162-M165 WeakPolarHBondContact O-CB 3.36Å; T162-M165 PolarHBondContact O-N 3.42Å; T162-M165 VanDerWaalsContact O-N 3.15Å; F163-M165 VanDerWaalsContact C-N 3.28Å; F163-M165 PolarHBondContact O-N 3.46Å; M165-A171 HydrophobicContact SD-CB 4.18Å; M165-F173 HydrophobicContact CG-CE1 3.75Å; M165-F173 HydrophobicContact CG-CZ 3.88Å; M165-F173 HydrophobicContact SD-CD1 4.3Å; M165-F173 HydrophobicContact SD-CE1 3.71Å; M165-F173 HydrophobicContact SD-CZ 4.07Å
166	W	98.4	Very high	95.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-93.7	-21.9	-177.8	-52.4	134.8	0	0	0	114.2	L18 P36 E37 Y38 L42 L59 I94 I97 T162 F163 L164	L18-W166 HydrophobicContact CD1-CB 4.48Å; L18-W166 HydrophobicContact CD1-CG 4.28Å; P36-W166 HydrophobicContact CB-CB 3.84Å; P36-W166 HydrophobicContact CB-CD2 4.27Å; P36-W166 HydrophobicContact CB-CE3 3.94Å; P36-W166 HydrophobicContact CB-CG 4.26Å; P36-W166 HydrophobicContact CG-CB 4.2Å; P36-W166 HydrophobicContact CG-CD2 3.97Å; P36-W166 HydrophobicContact CG-CE3 3.83Å; P36-W166 HydrophobicContact CG-CG 4.13Å; E37-W166 PolarHBondContact N-O 3.02Å; Y38-W166 PolarHBondContact N-O 2.79Å; Y38-W166 WeakPolarHBondContact O-CA 3.36Å; L42-W166 HydrophobicContact CD1-CZ3 4.48Å; L42-W166 HydrophobicContact CD2-CH2 3.93Å; L42-W166 HydrophobicContact CD2-CZ3 4.49Å; L59-W166 HydrophobicContact CD1-CZ2 3.82Å; I94-W166 HydrophobicContact CD1-CH2 3.69Å; I94-W166 HydrophobicContact CD1-CZ2 4.08Å; I97-W166 HydrophobicContact CD1-CH2 3.74Å; I97-W166 HydrophobicContact CD1-CZ2 3.43Å; I97-W166 VanDerWaalsContact CD1-CZ2 3.43Å; T162-W166 PolarHBondContact O-NE1 2.89Å; F163-W166 PolarHBondContact O-N 3.17Å; L164-W166 PolarHBondContact O-N 2.81Å
167	F	98.3	Very high	94.6	Very high	18 Å²	18	41.6 Å²	41.6	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-133.8	-1.4	-166	-61.8	-61.6	0	0	0	114.6	L18 F34 H35 E37 F163 L164 L224 P227	L18-F167 HydrophobicContact CD1-CE2 3.83Å; L18-F167 HydrophobicContact CD1-CZ 3.77Å; F34-F167 HydrophobicContact CD2-CE2 4.49Å; F34-F167 AromaticContact CD2-CZ 3.91Å; F34-F167 HydrophobicContact CD2-CZ 3.91Å; F34-F167 HydrophobicContact CE2-CE2 4.12Å; F34-F167 AromaticContact CE2-CZ 4Å; F34-F167 HydrophobicContact CE2-CZ 4Å; H35-F167 VanDerWaalsContact O-CE1 3.29Å; H35-F167 WeakPolarHBondContact O-CE1 3.41Å; H35-F167 WeakPolarHBondContact O-CZ 3.34Å; E37-F167 HydrophobicContact CB-CD1 4.25Å; E37-F167 HydrophobicContact CG-CD1 4.04Å; E37-F167 HydrophobicContact CG-CE1 4.35Å; F163-F167 HydrophobicContact CB-CD2 4.42Å; F163-F167 HydrophobicContact CD1-CE2 4.15Å; F163-F167 WeakPolarHBondContact O-CD2 3.35Å; F163-F167 PolarHBondContact O-N 3.31Å; L164-F167 PolarHBondContact O-N 2.81Å; F167-L224 HydrophobicContact CB-CD1 3.61Å; F167-L224 HydrophobicContact CB-CD2 4.45Å; F167-L224 HydrophobicContact CD2-CD1 4.24Å; F167-L224 HydrophobicContact CD2-CD2 4.16Å; F167-L224 HydrophobicContact CG-CD1 4.12Å; F167-P227 HydrophobicContact CD1-CG 4.24Å; F167-P227 HydrophobicContact CE1-CG 3.59Å; F167-P227 HydrophobicContact CE2-CG 3.93Å; F167-P227 HydrophobicContact CZ-CG 3.43Å; F167-P227 VanDerWaalsContact CZ-CG 3.43Å
168	I	95.9	Very high	94.1	Very high	42 Å²	42	43.6 Å²	43.6	22%	0.215	23%	0.23	C	C	.	.			trans	-129.9	110.8	171.5	-59.3	-173.6	0	0	0	108.1	L164 T170 A171 Q222	L164-I168 HydrophobicContact CD2-CD1 3.79Å; L164-I168 HydrophobicContact CD2-CG1 4.42Å; L164-I168 PolarHBondContact O-N 3.44Å; I168-T170 VanDerWaalsContact C-N 3.25Å; I168-T170 PolarHBondContact O-N 3.35Å; I168-T170 VanDerWaalsContact O-N 3.08Å; I168-A171 HydrophobicContact CB-CB 4.08Å; I168-A171 HydrophobicContact CG2-CB 4.28Å; I168-A171 VanDerWaalsContact O-CB 3.31Å; I168-A171 WeakPolarHBondContact O-CB 3.31Å; I168-A171 PolarHBondContact O-N 3.32Å; I168-Q222 HydrophobicContact CD1-CB 4.19Å
169	E	93.9	Very high	93.7	Very high	109 Å²	109	47.7 Å²	47.7	51%	0.509	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-43.3	-173.4	-171.7	177.1	-179.9	0	0	114.1	Y38 H40 Q41	Y38-E169 HydrophobicContact CD1-CB 4.21Å; Y38-E169 HydrophobicContact CD1-CG 4.17Å; Y38-E169 HydrophobicContact CD2-CB 4.48Å; Y38-E169 HydrophobicContact CE1-CB 3.81Å; Y38-E169 HydrophobicContact CE1-CG 3.83Å; Y38-E169 HydrophobicContact CE2-CB 4.14Å; H40-E169 PolarHBondContact CE1-O 3.16Å; H40-E169 PolarHBondContact NE2-O 3.08Å; H40-E169 VanDerWaalsContact NE2-O 3.16Å; Q41-E169 PolarHBondContact NE2-O 2.75Å
170	T	92.4	Very high	93.5	Very high	106 Å²	106	50.8 Å²	50.8	65%	0.65	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	30.9	-176.7	56.8	0	0	0	0	112.8	I168	I168-T170 VanDerWaalsContact C-N 3.25Å; I168-T170 PolarHBondContact O-N 3.35Å; I168-T170 VanDerWaalsContact O-N 3.08Å
171	A	93.4	Very high	93.4	Very high	8 Å²	8	52.1 Å²	52.1	7%	0.066	27%	0.271	C	S	.	.			trans	-56.1	147.5	176.5	0	0	0	0	0	112.5	Q41 L164 M165 I168	Q41-A171 PolarHBondContact NE2-O 2.63Å; Q41-A171 PolarHBondContact OE1-O 2.86Å; L164-A171 HydrophobicContact CB-CB 3.85Å; L164-A171 WeakPolarHBondContact O-CB 3.48Å; M165-A171 HydrophobicContact SD-CB 4.18Å; I168-A171 HydrophobicContact CB-CB 4.08Å; I168-A171 HydrophobicContact CG2-CB 4.28Å; I168-A171 VanDerWaalsContact O-CB 3.31Å; I168-A171 WeakPolarHBondContact O-CB 3.31Å; I168-A171 PolarHBondContact O-N 3.32Å
172	S	93.7	Very high	93.4	Very high	80 Å²	80	51.9 Å²	51.9	56%	0.559	27%	0.27	S	S	*	.			trans	-145.6	147	165.3	50.6	0	0	0	0	108.7	Q222	S172-Q222 PolarHBondContact O-NE2 2.88Å
173	F	94.3	Very high	93.4	Very high	76 Å²	76	52 Å²	52	33%	0.333	27%	0.27	S	S	.	.			trans	-68	143.4	176.4	-62.6	-26.6	0	0	0	111.1	I97 Q161 M165	I97-F173 HydrophobicContact CB-CE2 4.29Å; I97-F173 HydrophobicContact CB-CZ 4Å; I97-F173 HydrophobicContact CG2-CE2 4.46Å; I97-F173 HydrophobicContact CG2-CZ 4.38Å; Q161-F173 HydrophobicContact CB-CD1 4.01Å; Q161-F173 HydrophobicContact CB-CE1 4.07Å; Q161-F173 HydrophobicContact CG-CD1 3.68Å; Q161-F173 HydrophobicContact CG-CE1 3.63Å; Q161-F173 HydrophobicContact CG-CG 4.32Å; Q161-F173 HydrophobicContact CG-CZ 4.2Å; Q161-F173 WeakPolarHBondContact O-CE1 3.41Å; M165-F173 HydrophobicContact CG-CE1 3.75Å; M165-F173 HydrophobicContact CG-CZ 3.88Å; M165-F173 HydrophobicContact SD-CD1 4.3Å; M165-F173 HydrophobicContact SD-CE1 3.71Å; M165-F173 HydrophobicContact SD-CZ 4.07Å
174	L	90.3	Very high	93.4	Very high	26 Å²	26	52 Å²	52	14%	0.136	27%	0.27	C	S	.	.			trans	-80.3	149.4	-177.6	-57.2	-176.3	0	0	0	110.7	I176 W181 F183 T205	L174-I176 PolarHBondContact O-N 2.73Å; L174-W181 HydrophobicContact CB-CZ2 4.38Å; L174-W181 HydrophobicContact CD1-CD2 3.84Å; L174-W181 HydrophobicContact CD1-CE3 3.78Å; L174-W181 HydrophobicContact CD1-CH2 3.94Å; L174-W181 HydrophobicContact CD1-CZ2 4.02Å; L174-W181 HydrophobicContact CD1-CZ3 3.81Å; L174-W181 HydrophobicContact CD2-CH2 3.58Å; L174-W181 HydrophobicContact CD2-CZ2 3.59Å; L174-W181 HydrophobicContact CD2-CZ3 4.26Å; L174-W181 HydrophobicContact CG-CH2 4.34Å; L174-W181 HydrophobicContact CG-CZ2 4.21Å; L174-F183 HydrophobicContact CD1-CE1 4.45Å; L174-T205 HydrophobicContact CD1-CG2 3.75Å
175	D	87.8	Confident	93.4	Very high	109 Å²	109	52 Å²	52	58%	0.583	27%	0.27	S	S	*	.			trans	-76.4	101.9	162.1	-174.8	0.3	0	0	0	108.7	D177 W181	D175-D177 VanDerWaalsContact C-N 3.26Å; D175-D177 PolarHBondContact O-N 3.42Å; D175-D177 PolarHBondContact OD1-N 2.87Å; D175-W181 VanDerWaalsContact O-CD1 3.31Å; D175-W181 PolarHBondContact O-NE1 2.92Å; D175-W181 VanDerWaalsContact O-NE1 3.17Å
176	I	82.4	Confident	93.5	Very high	26 Å²	26	51.1 Å²	51.1	13%	0.133	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.3	-175.6	56.6	167.1	0	0	0	113.2	I148 Q154 L174 D178	I148-I176 HydrophobicContact CG2-CB 4.17Å; Q154-I176 VanDerWaalsContact CD-CD1 3.47Å; Q154-I176 HydrophobicContact CG-CD1 3.61Å; Q154-I176 VanDerWaalsContact NE2-CD1 3.27Å; L174-I176 PolarHBondContact O-N 2.73Å; I176-D178 PolarHBondContact O-N 3.12Å
177	D	84.3	Confident	93.5	Very high	138 Å²	138	51.1 Å²	51.1	74%	0.738	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-13.1	176	-70.1	-28.4	0	0	0	112.1	D175 D179	D175-D177 VanDerWaalsContact C-N 3.26Å; D175-D177 PolarHBondContact O-N 3.42Å; D175-D177 PolarHBondContact OD1-N 2.87Å; D177-D179 PolarHBondContact O-N 2.91Å
178	D	89	Confident	93.5	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.241	27%	0.265	C	S	.	.			trans	-80	115	174.8	-167.4	-29	0	0	0	111.3	I176 R180 W181 Y207	I176-D178 PolarHBondContact O-N 3.12Å; D178-R180 PolarHBondContact O-N 3.22Å; D178-R180 WeakPolarHBondContact OD1-CB 3.39Å; D178-R180 WeakPolarHBondContact OD1-CD 3.46Å; D178-R180 VanDerWaalsContact OD1-CG 3.23Å; D178-R180 WeakPolarHBondContact OD1-CG 3.24Å; D178-R180 PolarHBondContact OD1-N 2.72Å; D178-W181 PolarHBondContact O-N 3.16Å; D178-Y207 WeakPolarHBondContact OD2-CE2 3.43Å; D178-Y207 VanDerWaalsContact OD2-CZ 3.3Å; D178-Y207 PolarHBondContact OD2-OH 2.86Å
179	D	87.9	Confident	93.5	Very high	144 Å²	144	51.8 Å²	51.8	77%	0.77	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	1.1	-178.3	71.1	-11.1	0	0	0	114.7	D177	D177-D179 PolarHBondContact O-N 2.91Å
180	R	93.4	Very high	93.6	Very high	102 Å²	102	47.4 Å²	47.4	39%	0.385	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.3	179.4	-63.3	171.3	175.9	-162.5	1.2	114	D178 Y207 N208	D178-R180 PolarHBondContact O-N 3.22Å; D178-R180 WeakPolarHBondContact OD1-CB 3.39Å; D178-R180 WeakPolarHBondContact OD1-CD 3.46Å; D178-R180 VanDerWaalsContact OD1-CG 3.23Å; D178-R180 WeakPolarHBondContact OD1-CG 3.24Å; D178-R180 PolarHBondContact OD1-N 2.72Å; R180-Y207 HydrophobicContact CB-CD2 4.16Å; R180-Y207 HydrophobicContact CB-CE1 4.37Å; R180-Y207 HydrophobicContact CB-CE2 3.76Å; R180-Y207 VanDerWaalsContact CD-OH 3.29Å; R180-Y207 WeakPolarHBondContact CD-OH 3.44Å; R180-N208 HydrophobicContact CB-CB 4.33Å; R180-N208 WeakPolarHBondContact O-CB 3.27Å; R180-N208 PolarHBondContact O-N 2.81Å
181	W	96.3	Very high	93.5	Very high	29 Å²	29	47.3 Å²	47.3	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.3	176.6	-72.1	113	0	0	0	112.1	L174 D175 D178 F183 Y207	L174-W181 HydrophobicContact CB-CZ2 4.38Å; L174-W181 HydrophobicContact CD1-CD2 3.84Å; L174-W181 HydrophobicContact CD1-CE3 3.78Å; L174-W181 HydrophobicContact CD1-CH2 3.94Å; L174-W181 HydrophobicContact CD1-CZ2 4.02Å; L174-W181 HydrophobicContact CD1-CZ3 3.81Å; L174-W181 HydrophobicContact CD2-CH2 3.58Å; L174-W181 HydrophobicContact CD2-CZ2 3.59Å; L174-W181 HydrophobicContact CD2-CZ3 4.26Å; L174-W181 HydrophobicContact CG-CH2 4.34Å; L174-W181 HydrophobicContact CG-CZ2 4.21Å; D175-W181 VanDerWaalsContact O-CD1 3.31Å; D175-W181 PolarHBondContact O-NE1 2.92Å; D175-W181 VanDerWaalsContact O-NE1 3.17Å; D178-W181 PolarHBondContact O-N 3.16Å; W181-F183 HydrophobicContact CB-CD2 4.47Å; W181-F183 HydrophobicContact CB-CE2 3.62Å; W181-F183 HydrophobicContact CB-CZ 3.82Å; W181-F183 HydrophobicContact CG-CZ 4.48Å; W181-Y207 AromaticContact CD2-CD2 3.7Å; W181-Y207 HydrophobicContact CD2-CD2 3.7Å; W181-Y207 AromaticContact CE2-CD2 3.45Å; W181-Y207 VanDerWaalsContact CE2-CD2 3.45Å; W181-Y207 HydrophobicContact CE3-CD2 4.05Å; W181-Y207 HydrophobicContact CG-CD2 4.29Å; W181-Y207 AromaticContact CH2-CD2 3.94Å; W181-Y207 HydrophobicContact CH2-CD2 3.94Å; W181-Y207 HydrophobicContact CH2-CG 4.28Å; W181-Y207 AromaticContact CZ2-CD2 3.55Å; W181-Y207 HydrophobicContact CZ2-CD2 3.55Å; W181-Y207 HydrophobicContact CZ2-CE2 4.28Å; W181-Y207 HydrophobicContact CZ2-CG 4.31Å; W181-Y207 HydrophobicContact CZ3-CD2 4.17Å; W181-Y207 HydrophobicContact CZ3-CG 4.4Å; W181-Y207 AromaticContact NE1-CD2 3.9Å
182	D	96.8	Very high	93.3	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.7	165.5	-76.1	-31	0	0	0	110.1	K145 F184 T205 V206 N208 Y246	K145-D182 WeakPolarHBondContact CE-OD1 3.13Å; K145-D182 IonicContact NZ-OD1 3.52Å; K145-D182 PolarHBondContact NZ-OD1 2.93Å; D182-F184 HydrophobicContact CB-CE2 3.71Å; D182-F184 HydrophobicContact CB-CZ 4.16Å; D182-T205 WeakPolarHBondContact O-CA 3.39Å; D182-V206 HydrophobicContact CB-CB 4.43Å; D182-V206 PolarHBondContact N-O 3.3Å; D182-V206 PolarHBondContact O-N 3.4Å; D182-N208 VanDerWaalsContact CG-ND2 3.34Å; D182-N208 PolarHBondContact OD2-ND2 3.18Å; D182-Y246 PolarHBondContact OD2-OH 2.72Å
183	F	98.4	Very high	92.9	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.8	177.9	-57.4	-97.2	0	0	0	109.9	K145 A146 I148 F153 H157 L174 W181 T205	K145-F183 CarbonylContact C-O 3.53Å; K145-F183 WeakPolarHBondContact CA-O 3.3Å; A146-F183 PolarHBondContact N-O 2.87Å; A146-F183 PolarHBondContact O-N 3.04Å; I148-F183 HydrophobicContact CG2-CE2 4.15Å; I148-F183 HydrophobicContact CG2-CZ 4.48Å; F153-F183 HydrophobicContact CE1-CB 3.99Å; F153-F183 HydrophobicContact CE1-CD1 4.02Å; F153-F183 AromaticContact CE1-CD2 3.63Å; F153-F183 HydrophobicContact CE1-CD2 3.63Å; F153-F183 HydrophobicContact CE1-CE1 4.42Å; F153-F183 HydrophobicContact CE1-CE2 4.07Å; F153-F183 AromaticContact CE1-CG 3.6Å; F153-F183 HydrophobicContact CE1-CG 3.6Å; F153-F183 HydrophobicContact CE1-CZ 4.44Å; F153-F183 HydrophobicContact CZ-CB 3.56Å; F153-F183 AromaticContact CZ-CD1 3.76Å; F153-F183 HydrophobicContact CZ-CD1 3.76Å; F153-F183 HydrophobicContact CZ-CD2 4.06Å; F153-F183 HydrophobicContact CZ-CE1 4.48Å; F153-F183 AromaticContact CZ-CG 3.52Å; F153-F183 HydrophobicContact CZ-CG 3.52Å; H157-F183 AromaticContact CD2-CD1 3.83Å; H157-F183 AromaticContact CD2-CE1 3.62Å; H157-F183 AromaticContact CE1-CE1 3.97Å; H157-F183 AromaticContact NE2-CE1 3.5Å; L174-F183 HydrophobicContact CD1-CE1 4.45Å; W181-F183 HydrophobicContact CB-CD2 4.47Å; W181-F183 HydrophobicContact CB-CE2 3.62Å; W181-F183 HydrophobicContact CB-CZ 3.82Å; W181-F183 HydrophobicContact CG-CZ 4.48Å; F183-T205 HydrophobicContact CD1-CG2 3.78Å; F183-T205 HydrophobicContact CE1-CG2 3.91Å
184	F	98.8	Very high	92.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.2	177.4	-60	-93	0	0	0	109.5	L126 H144 K145 D182 Y203 M204 V206 L238 V242 F245 Y246	L126-F184 HydrophobicContact CD1-CD1 3.73Å; L126-F184 HydrophobicContact CD1-CE1 3.71Å; H144-F184 CarbonylContact O-C 3.5Å; H144-F184 VanDerWaalsContact O-CA 3.28Å; H144-F184 WeakPolarHBondContact O-CA 3.25Å; K145-F184 HydrophobicContact CB-CD1 4.16Å; K145-F184 HydrophobicContact CB-CE1 4.16Å; K145-F184 HydrophobicContact CD-CE1 4.14Å; K145-F184 HydrophobicContact CD-CZ 4.37Å; K145-F184 HydrophobicContact CG-CD1 4.32Å; K145-F184 HydrophobicContact CG-CE1 4.03Å; K145-F184 HydrophobicContact CG-CZ 4.43Å; D182-F184 HydrophobicContact CB-CE2 3.71Å; D182-F184 HydrophobicContact CB-CZ 4.16Å; F184-Y203 CarbonylContact O-C 3.53Å; F184-Y203 WeakPolarHBondContact O-CA 3.43Å; F184-Y203 VanDerWaalsContact O-CB 3.27Å; F184-Y203 WeakPolarHBondContact O-CB 3.18Å; F184-M204 HydrophobicContact CB-CB 4.41Å; F184-M204 PolarHBondContact N-O 3.2Å; F184-M204 PolarHBondContact O-N 3.19Å; F184-V206 HydrophobicContact CD2-CG2 3.91Å; F184-V206 HydrophobicContact CE2-CB 4.15Å; F184-V206 HydrophobicContact CE2-CG2 3.68Å; F184-L238 HydrophobicContact CB-CD1 3.81Å; F184-V242 HydrophobicContact CB-CG2 4Å; F184-V242 HydrophobicContact CD1-CG2 3.68Å; F184-V242 HydrophobicContact CD2-CG2 3.82Å; F184-V242 HydrophobicContact CE1-CG2 4.04Å; F184-V242 HydrophobicContact CE2-CG1 4.32Å; F184-V242 HydrophobicContact CE2-CG2 4.18Å; F184-V242 HydrophobicContact CG-CG2 3.55Å; F184-V242 HydrophobicContact CZ-CG1 4.35Å; F184-V242 HydrophobicContact CZ-CG2 4.28Å; F184-F245 HydrophobicContact CE1-CB 4.35Å; F184-F245 AromaticContact CE1-CD1 3.8Å; F184-F245 HydrophobicContact CE1-CD1 3.8Å; F184-F245 HydrophobicContact CE1-CE1 4.37Å; F184-F245 HydrophobicContact CE1-CG 4.08Å; F184-F245 AromaticContact CZ-CD1 3.68Å; F184-F245 HydrophobicContact CZ-CD1 3.68Å; F184-F245 HydrophobicContact CZ-CE1 4.03Å; F184-F245 HydrophobicContact CZ-CG 4.42Å; F184-Y246 HydrophobicContact CE2-CE2 4.1Å; F184-Y246 AromaticContact CZ-CE2 3.89Å; F184-Y246 HydrophobicContact CZ-CE2 3.89Å; F184-Y246 AromaticContact CZ-CZ 3.95Å
185	L	98.9	Very high	92.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140	-171.5	-55.4	170.1	0	0	0	110.3	F122 I143 H144 A146 F153 Y156 L160 F187 Y203	F122-L185 HydrophobicContact CB-CD1 3.97Å; F122-L185 HydrophobicContact CD2-CD1 4.21Å; I143-L185 CarbonylContact C-O 3.56Å; I143-L185 VanDerWaalsContact CA-O 3.25Å; I143-L185 WeakPolarHBondContact CA-O 3.39Å; H144-L185 PolarHBondContact N-O 2.83Å; H144-L185 PolarHBondContact O-N 2.83Å; A146-L185 HydrophobicContact CB-CD1 4.01Å; F153-L185 HydrophobicContact CD2-CD1 4.22Å; F153-L185 HydrophobicContact CE2-CD1 3.68Å; F153-L185 HydrophobicContact CE2-CD2 4.07Å; F153-L185 HydrophobicContact CE2-CG 4.35Å; Y156-L185 HydrophobicContact CE1-CD1 4.31Å; Y156-L185 HydrophobicContact CE1-CD2 4.02Å; L160-L185 HydrophobicContact CD2-CD2 4.14Å; L185-F187 HydrophobicContact CB-CD2 4.21Å; L185-F187 HydrophobicContact CB-CE2 3.44Å; L185-F187 VanDerWaalsContact CB-CE2 3.44Å; L185-F187 HydrophobicContact CB-CZ 3.9Å; L185-F187 HydrophobicContact CD1-CE2 3.9Å; L185-F187 HydrophobicContact CD1-CZ 3.93Å; L185-F187 HydrophobicContact CG-CE2 4.3Å; L185-F187 HydrophobicContact CG-CZ 4.46Å; L185-Y203 HydrophobicContact CD2-CD2 4.42Å; L185-Y203 HydrophobicContact CD2-CG 4.48Å
186	V	98.9	Very high	92.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.6	173.7	-167.5	0	0	0	0	109	Q142 I143 V201 G202 I225 L238	Q142-V186 WeakPolarHBondContact O-CA 3.19Å; I143-V186 HydrophobicContact CG1-CG1 4.42Å; I143-V186 HydrophobicContact CG1-CG2 4.26Å; V186-V201 HydrophobicContact CB-CB 3.95Å; V186-V201 HydrophobicContact CB-CG1 4.15Å; V186-V201 HydrophobicContact CG1-CB 3.82Å; V186-V201 HydrophobicContact CG1-CG1 3.8Å; V186-V201 WeakPolarHBondContact O-CB 3.4Å; V186-V201 PolarHBondContact O-N 3.04Å; V186-G202 PolarHBondContact N-O 3.03Å; V186-I225 HydrophobicContact CG2-CD1 4.43Å; V186-L238 HydrophobicContact CG2-CB 4.09Å; V186-L238 HydrophobicContact CG2-CD1 3.83Å; V186-L238 HydrophobicContact CG2-CD2 3.8Å; V186-L238 HydrophobicContact CG2-CG 4.12Å
187	F	98.8	Very high	93.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139	176.4	-62.5	-78.1	0	0	0	111.4	F119 P121 Y141 Q142 H144 Y156 L185 Y198 A199 T200	F119-F187 HydrophobicContact CE1-CD1 4.19Å; F119-F187 AromaticContact CE1-CE1 3.83Å; F119-F187 HydrophobicContact CE1-CE1 3.83Å; F119-F187 HydrophobicContact CZ-CD1 4.47Å; F119-F187 AromaticContact CZ-CE1 3.67Å; F119-F187 HydrophobicContact CZ-CE1 3.67Å; F119-F187 HydrophobicContact CZ-CZ 4.11Å; P121-F187 HydrophobicContact CB-CD2 3.59Å; P121-F187 HydrophobicContact CB-CE2 3.63Å; P121-F187 HydrophobicContact CB-CG 4.27Å; P121-F187 HydrophobicContact CB-CZ 4.37Å; P121-F187 HydrophobicContact CG-CB 4.39Å; P121-F187 HydrophobicContact CG-CD2 3.87Å; P121-F187 HydrophobicContact CG-CE2 4.3Å; P121-F187 HydrophobicContact CG-CG 4.07Å; Y141-F187 CarbonylContact C-O 3.52Å; Y141-F187 WeakPolarHBondContact CA-O 3.45Å; Q142-F187 PolarHBondContact N-O 3.07Å; Q142-F187 PolarHBondContact O-N 3.42Å; H144-F187 AromaticContact CD2-CD2 3.96Å; Y156-F187 WeakPolarHBondContact OH-CE1 3.22Å; L185-F187 HydrophobicContact CB-CD2 4.21Å; L185-F187 HydrophobicContact CB-CE2 3.44Å; L185-F187 VanDerWaalsContact CB-CE2 3.44Å; L185-F187 HydrophobicContact CB-CZ 3.9Å; L185-F187 HydrophobicContact CD1-CE2 3.9Å; L185-F187 HydrophobicContact CD1-CZ 3.93Å; L185-F187 HydrophobicContact CG-CE2 4.3Å; L185-F187 HydrophobicContact CG-CZ 4.46Å; F187-Y198 HydrophobicContact CB-CD1 4.43Å; F187-A199 CarbonylContact C-O 3.56Å; F187-A199 WeakPolarHBondContact CA-O 3.2Å; F187-T200 WeakPolarHBondContact CE1-OG1 3.3Å
188	E	98.1	Very high	94.2	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.1	165.1	-175.1	-172.5	142.7	0	0	109.3	R22 Y141 Y198 A199 V201 F229	R22-E188 IonicContact CZ-OE1 3.28Å; R22-E188 IonicContact CZ-OE2 2.74Å; R22-E188 IonicContact NH1-OE1 2.9Å; R22-E188 PolarHBondContact NH1-OE1 3.27Å; R22-E188 IonicContact NH1-OE2 2.84Å; R22-E188 IonicContact NH2-OE1 3.95Å; R22-E188 PolarHBondContact NH2-OE1 3.22Å; R22-E188 IonicContact NH2-OE2 3.53Å; R22-E188 PolarHBondContact NH2-OE2 3.04Å; Y141-E188 HydrophobicContact CD1-CB 3.73Å; Y141-E188 HydrophobicContact CD1-CG 4.03Å; Y141-E188 HydrophobicContact CE1-CB 3.59Å; Y141-E188 HydrophobicContact CE1-CG 3.61Å; E188-Y198 CarbonylContact O-C 3.59Å; E188-Y198 VanDerWaalsContact O-CA 3.25Å; E188-Y198 WeakPolarHBondContact O-CA 3.48Å; E188-A199 HydrophobicContact CB-CB 4.43Å; E188-A199 PolarHBondContact N-O 3.4Å; E188-A199 PolarHBondContact O-N 3.32Å; E188-V201 HydrophobicContact CB-CG2 3.74Å; E188-F229 WeakPolarHBondContact OE2-CE1 3.25Å
189	K	96.6	Very high	94.7	Very high	65 Å²	65	45.3 Å²	45.3	28%	0.283	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.4	168.3	-62.4	-174.6	70.7	-171.8	0	109.3	T140 Q142 T196 L197 Y198	T140-K189 HydrophobicContact CG2-CD 3.89Å; T140-K189 HydrophobicContact CG2-CG 4.45Å; T140-K189 WeakPolarHBondContact O-CB 3.28Å; T140-K189 PolarHBondContact O-N 2.82Å; Q142-K189 HydrophobicContact CG-CD 4.47Å; K189-T196 HydrophobicContact CB-CG2 4.39Å; K189-L197 WeakPolarHBondContact CA-O 3.24Å; K189-Y198 HydrophobicContact CD-CE1 4.09Å; K189-Y198 HydrophobicContact CG-CD1 3.93Å; K189-Y198 HydrophobicContact CG-CE1 3.66Å
190	Y	94.4	Very high	95.2	Very high	17 Å²	17	38.5 Å²	38.5	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.7	171.6	70.7	-79.9	0	0	0	110.2	R22 K192 L197 A199	R22-Y190 HydrophobicContact CB-CE2 4.06Å; R22-Y190 HydrophobicContact CG-CE1 4.47Å; R22-Y190 HydrophobicContact CG-CE2 4.23Å; Y190-K192 HydrophobicContact CE2-CB 4.2Å; Y190-L197 HydrophobicContact CD1-CB 4.09Å; Y190-L197 HydrophobicContact CD2-CB 4.37Å; Y190-L197 HydrophobicContact CE1-CB 3.55Å; Y190-L197 HydrophobicContact CE2-CB 3.88Å; Y190-L197 HydrophobicContact CE2-CD2 4.09Å; Y190-L197 HydrophobicContact CG-CB 4.47Å; Y190-L197 VanDerWaalsContact CZ-CB 3.45Å; Y190-L197 PolarHBondContact N-O 3.06Å; Y190-L197 VanDerWaalsContact N-O 3.1Å; Y190-L197 PolarHBondContact O-N 2.77Å; Y190-L197 WeakPolarHBondContact OH-CD2 3.36Å; Y190-A199 HydrophobicContact CD1-CB 4.03Å; Y190-A199 HydrophobicContact CE1-CB 3.87Å
191	N	91.1	Very high	95.5	Very high	104 Å²	104	33.6 Å²	33.6	56%	0.556	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.8	177.7	-66.1	-47	0	0	0	110.1	E195 T196	N191-E195 CarbonylContact C-O 3.58Å; N191-E195 VanDerWaalsContact CA-O 3.27Å; N191-E195 WeakPolarHBondContact CA-O 3.45Å; N191-T196 PolarHBondContact OD1-OG1 2.83Å; N191-T196 VanDerWaalsContact OD1-OG1 3.09Å
192	K	88.5	Confident	95.6	Very high	29 Å²	29	32.3 Å²	32.3	13%	0.126	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	124.7	172.8	178.3	175.1	-179.6	-179.4	0	107.9	R22 F23 Y190 G194 E195 L197	R22-K192 PolarHBondContact O-NZ 2.72Å; F23-K192 HydrophobicContact CD1-CD 4.03Å; F23-K192 HydrophobicContact CD1-CG 4.29Å; F23-K192 HydrophobicContact CE1-CB 4.16Å; F23-K192 HydrophobicContact CE1-CD 3.95Å; F23-K192 HydrophobicContact CE1-CG 3.83Å; Y190-K192 HydrophobicContact CE2-CB 4.2Å; K192-G194 PolarHBondContact O-N 3.25Å; K192-G194 VanDerWaalsContact O-N 3.1Å; K192-E195 PolarHBondContact N-O 3.1Å; K192-E195 PolarHBondContact O-N 2.88Å; K192-L197 HydrophobicContact CB-CD1 3.98Å; K192-L197 HydrophobicContact CB-CD2 4.31Å; K192-L197 HydrophobicContact CD-CD2 4.22Å
193	D	86.6	Confident	95.7	Very high	154 Å²	154	31.6 Å²	31.6	82%	0.824	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	33.5	179	-54.8	-43.3	0	0	0	115.1	E195	D193-E195 VanDerWaalsContact C-N 3.29Å; D193-E195 PolarHBondContact O-N 2.84Å
194	G	86.2	Confident	95.7	Very high	79 Å²	79	31.5 Å²	31.5	81%	0.814	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	-0.1	-178.7	0	0	0	0	0	114.8	K192	K192-G194 PolarHBondContact O-N 3.25Å; K192-G194 VanDerWaalsContact O-N 3.1Å
195	E	90.9	Very high	95.7	Very high	107 Å²	107	31.5 Å²	31.5	50%	0.5	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147	174.3	-61.4	-165.1	156	0	0	111.7	A117 N191 K192 D193 L197	A117-E195 WeakPolarHBondContact CB-OE2 3.47Å; N191-E195 CarbonylContact C-O 3.58Å; N191-E195 VanDerWaalsContact CA-O 3.27Å; N191-E195 WeakPolarHBondContact CA-O 3.45Å; K192-E195 PolarHBondContact N-O 3.1Å; K192-E195 PolarHBondContact O-N 2.88Å; D193-E195 VanDerWaalsContact C-N 3.29Å; D193-E195 PolarHBondContact O-N 2.84Å; E195-L197 HydrophobicContact CB-CD1 3.8Å; E195-L197 WeakPolarHBondContact O-CD1 3.49Å
196	T	94.5	Very high	95.6	Very high	55 Å²	55	31.5 Å²	31.5	34%	0.337	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.3	173.6	-61.8	0	0	0	0	110.3	K189 N191	K189-T196 HydrophobicContact CB-CG2 4.39Å; N191-T196 PolarHBondContact OD1-OG1 2.83Å; N191-T196 VanDerWaalsContact OD1-OG1 3.09Å
197	L	97	Very high	95.6	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	172.6	176.7	-74.4	72.9	0	0	0	110.4	E116 K189 Y190 K192 E195	E116-L197 HydrophobicContact CB-CD2 4.16Å; E116-L197 HydrophobicContact CG-CD2 4.32Å; K189-L197 WeakPolarHBondContact CA-O 3.24Å; Y190-L197 HydrophobicContact CD1-CB 4.09Å; Y190-L197 HydrophobicContact CD2-CB 4.37Å; Y190-L197 HydrophobicContact CE1-CB 3.55Å; Y190-L197 HydrophobicContact CE2-CB 3.88Å; Y190-L197 HydrophobicContact CE2-CD2 4.09Å; Y190-L197 HydrophobicContact CG-CB 4.47Å; Y190-L197 VanDerWaalsContact CZ-CB 3.45Å; Y190-L197 PolarHBondContact N-O 3.06Å; Y190-L197 VanDerWaalsContact N-O 3.1Å; Y190-L197 PolarHBondContact O-N 2.77Å; Y190-L197 WeakPolarHBondContact OH-CD2 3.36Å; K192-L197 HydrophobicContact CB-CD1 3.98Å; K192-L197 HydrophobicContact CB-CD2 4.31Å; K192-L197 HydrophobicContact CD-CD2 4.22Å; E195-L197 HydrophobicContact CB-CD1 3.8Å; E195-L197 WeakPolarHBondContact O-CD1 3.49Å
198	Y	98.1	Very high	95.5	Very high	36 Å²	36	34.2 Å²	34.2	14%	0.141	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.7	-175.9	-60.4	-92.9	0	0	0	109.6	G64 K120 P121 F187 E188 K189	G64-Y198 WeakPolarHBondContact CA-O 3.36Å; K120-Y198 HydrophobicContact CD-CE2 4.1Å; P121-Y198 HydrophobicContact CG-CD1 3.37Å; P121-Y198 HydrophobicContact CG-CD2 4.17Å; P121-Y198 HydrophobicContact CG-CE1 3.75Å; P121-Y198 HydrophobicContact CG-CG 3.6Å; F187-Y198 HydrophobicContact CB-CD1 4.43Å; E188-Y198 CarbonylContact O-C 3.59Å; E188-Y198 VanDerWaalsContact O-CA 3.25Å; E188-Y198 WeakPolarHBondContact O-CA 3.48Å; K189-Y198 HydrophobicContact CD-CE1 4.09Å; K189-Y198 HydrophobicContact CG-CD1 3.93Å; K189-Y198 HydrophobicContact CG-CE1 3.66Å
199	A	98.4	Very high	95.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135	173.7	0	0	0	0	0	109.9	A63 F187 E188 Y190 V201	A63-A199 HydrophobicContact CB-CB 3.87Å; A63-A199 CarbonylContact O-C 3.57Å; A63-A199 WeakPolarHBondContact O-CA 3.41Å; F187-A199 CarbonylContact C-O 3.56Å; F187-A199 WeakPolarHBondContact CA-O 3.2Å; E188-A199 HydrophobicContact CB-CB 4.43Å; E188-A199 PolarHBondContact N-O 3.4Å; E188-A199 PolarHBondContact O-N 3.32Å; Y190-A199 HydrophobicContact CD1-CB 4.03Å; Y190-A199 HydrophobicContact CE1-CB 3.87Å; A199-V201 PolarHBondContact O-N 3.34Å
200	T	98.8	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.2	173.1	-62.6	0	0	0	0	109.4	A63 G64 L66 Y156 L160 F187 L226 F229	A63-T200 PolarHBondContact O-N 3.4Å; G64-T200 PolarHBondContact O-OG1 3.04Å; L66-T200 HydrophobicContact CD1-CG2 4.34Å; Y156-T200 WeakPolarHBondContact OH-CG2 3.49Å; Y156-T200 PolarHBondContact OH-OG1 2.8Å; L160-T200 HydrophobicContact CD1-CG2 4.12Å; F187-T200 WeakPolarHBondContact CE1-OG1 3.3Å; T200-L226 HydrophobicContact CG2-CD1 4.08Å; T200-F229 WeakPolarHBondContact O-CE2 3.49Å
201	V	98.8	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-33.5	179.1	168.5	0	0	0	0	111.4	Y141 V186 E188 A199 I225 L226 F229 H234	Y141-V201 HydrophobicContact CD1-CG2 4.06Å; Y141-V201 HydrophobicContact CE1-CG2 4.05Å; V186-V201 HydrophobicContact CB-CB 3.95Å; V186-V201 HydrophobicContact CB-CG1 4.15Å; V186-V201 HydrophobicContact CG1-CB 3.82Å; V186-V201 HydrophobicContact CG1-CG1 3.8Å; V186-V201 WeakPolarHBondContact O-CB 3.4Å; V186-V201 PolarHBondContact O-N 3.04Å; E188-V201 HydrophobicContact CB-CG2 3.74Å; A199-V201 PolarHBondContact O-N 3.34Å; V201-I225 HydrophobicContact CG1-CG2 4.27Å; V201-L226 PolarHBondContact O-N 2.83Å; V201-F229 HydrophobicContact CB-CD2 4.15Å; V201-F229 HydrophobicContact CB-CE2 4.48Å; V201-F229 HydrophobicContact CB-CG 4.38Å; V201-F229 HydrophobicContact CG1-CB 3.79Å; V201-F229 HydrophobicContact CG1-CD2 4.06Å; V201-F229 HydrophobicContact CG1-CG 3.95Å; V201-F229 HydrophobicContact CG2-CD1 4.28Å; V201-F229 HydrophobicContact CG2-CD2 4.19Å; V201-F229 HydrophobicContact CG2-CE1 4.34Å; V201-F229 HydrophobicContact CG2-CE2 4.24Å; V201-F229 HydrophobicContact CG2-CG 4.21Å; V201-F229 HydrophobicContact CG2-CZ 4.32Å; V201-H234 HydrophobicContact CG1-CB 4.24Å
202	G	98.6	Very high	95.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-178.7	-177.9	0	0	0	0	0	112.1	V186 L224	V186-G202 PolarHBondContact N-O 3.03Å; G202-L224 CarbonylContact C-O 3.58Å; G202-L224 WeakPolarHBondContact CA-O 3.49Å
203	Y	98.7	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	173.3	178.1	84.3	-52.5	0	0	0	114.2	H157 L160 L164 F184 L185 T205 M223 L224	H157-Y203 AromaticContact CD2-CE2 3.81Å; H157-Y203 AromaticContact NE2-CE2 3.68Å; L160-Y203 HydrophobicContact CD1-CD1 4.32Å; L160-Y203 HydrophobicContact CD1-CE1 4.48Å; L160-Y203 HydrophobicContact CD2-CD1 3.79Å; L160-Y203 HydrophobicContact CD2-CD2 3.92Å; L160-Y203 HydrophobicContact CD2-CE1 4.17Å; L160-Y203 HydrophobicContact CD2-CE2 4.28Å; L160-Y203 HydrophobicContact CD2-CG 3.65Å; L160-Y203 HydrophobicContact CG-CD1 4.01Å; L160-Y203 HydrophobicContact CG-CE1 3.98Å; L160-Y203 HydrophobicContact CG-CG 4.35Å; L164-Y203 WeakPolarHBondContact CD1-OH 3.25Å; L164-Y203 HydrophobicContact CD2-CE1 3.72Å; L164-Y203 HydrophobicContact CG-CE1 4.29Å; L164-Y203 WeakPolarHBondContact CG-OH 3.41Å; F184-Y203 CarbonylContact O-C 3.53Å; F184-Y203 WeakPolarHBondContact O-CA 3.43Å; F184-Y203 VanDerWaalsContact O-CB 3.27Å; F184-Y203 WeakPolarHBondContact O-CB 3.18Å; L185-Y203 HydrophobicContact CD2-CD2 4.42Å; L185-Y203 HydrophobicContact CD2-CG 4.48Å; Y203-T205 HydrophobicContact CD2-CG2 3.93Å; Y203-T205 HydrophobicContact CE2-CG2 3.33Å; Y203-M223 WeakPolarHBondContact O-CA 3.31Å; Y203-L224 HydrophobicContact CD1-CB 4.46Å; Y203-L224 HydrophobicContact CE1-CB 4.47Å; Y203-L224 PolarHBondContact N-O 2.91Å; Y203-L224 PolarHBondContact O-N 3.34Å
204	M	98.8	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	135.7	172.5	-179.8	-174.4	-66.4	0	0	110.4	F184 V206 V220 Q222 M223 L238 L239 V242	F184-M204 HydrophobicContact CB-CB 4.41Å; F184-M204 PolarHBondContact N-O 3.2Å; F184-M204 PolarHBondContact O-N 3.19Å; M204-V206 HydrophobicContact CG-CG2 3.94Å; M204-V206 HydrophobicContact SD-CG2 3.93Å; M204-V220 HydrophobicContact CE-CG1 4.23Å; M204-V220 HydrophobicContact CG-CG1 3.82Å; M204-V220 HydrophobicContact SD-CB 4.42Å; M204-V220 HydrophobicContact SD-CG1 3.79Å; M204-V220 HydrophobicContact SD-CG2 3.78Å; M204-Q222 CarbonylContact C-O 3.34Å; M204-Q222 VanDerWaalsContact CA-O 3.24Å; M204-Q222 WeakPolarHBondContact CA-O 3.4Å; M204-M223 HydrophobicContact CB-CG 4.42Å; M204-M223 HydrophobicContact CE-CB 4.16Å; M204-M223 HydrophobicContact CE-CE 3.66Å; M204-M223 HydrophobicContact CE-CG 3.68Å; M204-M223 HydrophobicContact CE-SD 3.31Å; M204-M223 WeakPolarHBondContact CE-SD 3.21Å; M204-M223 HydrophobicContact CG-CB 4.31Å; M204-L238 HydrophobicContact CB-CD2 3.92Å; M204-L238 HydrophobicContact CB-CG 4.36Å; M204-L238 HydrophobicContact CE-CD2 4.42Å; M204-L238 HydrophobicContact CE-CG 4.24Å; M204-L239 HydrophobicContact CE-CB 4.45Å; M204-L239 HydrophobicContact CE-CD1 4.06Å; M204-V242 HydrophobicContact SD-CB 4.4Å; M204-V242 HydrophobicContact SD-CG1 4.17Å; M204-V242 HydrophobicContact SD-CG2 3.88Å
205	T	98.4	Very high	96.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.4	170.3	63.3	0	0	0	0	110	L174 D182 F183 Y203 S221 Q222	L174-T205 HydrophobicContact CD1-CG2 3.75Å; D182-T205 WeakPolarHBondContact O-CA 3.39Å; F183-T205 HydrophobicContact CD1-CG2 3.78Å; F183-T205 HydrophobicContact CE1-CG2 3.91Å; Y203-T205 HydrophobicContact CD2-CG2 3.93Å; Y203-T205 HydrophobicContact CE2-CG2 3.33Å; T205-S221 PolarHBondContact O-N 2.93Å; T205-Q222 PolarHBondContact N-O 3.37Å; T205-Q222 WeakPolarHBondContact OG1-CB 3.35Å; T205-Q222 PolarHBondContact OG1-N 2.84Å; T205-Q222 PolarHBondContact OG1-OE1 2.93Å; T205-Q222 VanDerWaalsContact OG1-OE1 3.06Å
206	V	98.3	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.4	-178.5	-172.1	0	0	0	0	109.6	D182 F184 M204 P218 R219 V220 Y246	D182-V206 HydrophobicContact CB-CB 4.43Å; D182-V206 PolarHBondContact N-O 3.3Å; D182-V206 PolarHBondContact O-N 3.4Å; F184-V206 HydrophobicContact CD2-CG2 3.91Å; F184-V206 HydrophobicContact CE2-CB 4.15Å; F184-V206 HydrophobicContact CE2-CG2 3.68Å; M204-V206 HydrophobicContact CG-CG2 3.94Å; M204-V206 HydrophobicContact SD-CG2 3.93Å; V206-P218 HydrophobicContact CG1-CB 3.53Å; V206-R219 WeakPolarHBondContact CA-O 3.44Å; V206-V220 HydrophobicContact CG2-CG2 4.16Å; V206-Y246 HydrophobicContact CB-CE2 4.46Å; V206-Y246 WeakPolarHBondContact CB-OH 3.47Å; V206-Y246 HydrophobicContact CG1-CE2 3.93Å; V206-Y246 WeakPolarHBondContact CG1-OH 3.38Å; V206-Y246 HydrophobicContact CG2-CE2 4.45Å
207	Y	97.5	Very high	97.4	Very high	28 Å²	28	42.8 Å²	42.8	11%	0.11	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.9	176.3	-166.9	-95.6	0	0	0	111.3	D178 R180 W181 Y209 P218 R219	D178-Y207 WeakPolarHBondContact OD2-CE2 3.43Å; D178-Y207 VanDerWaalsContact OD2-CZ 3.3Å; D178-Y207 PolarHBondContact OD2-OH 2.86Å; R180-Y207 HydrophobicContact CB-CD2 4.16Å; R180-Y207 HydrophobicContact CB-CE1 4.37Å; R180-Y207 HydrophobicContact CB-CE2 3.76Å; R180-Y207 VanDerWaalsContact CD-OH 3.29Å; R180-Y207 WeakPolarHBondContact CD-OH 3.44Å; W181-Y207 AromaticContact CD2-CD2 3.7Å; W181-Y207 HydrophobicContact CD2-CD2 3.7Å; W181-Y207 AromaticContact CE2-CD2 3.45Å; W181-Y207 VanDerWaalsContact CE2-CD2 3.45Å; W181-Y207 HydrophobicContact CE3-CD2 4.05Å; W181-Y207 HydrophobicContact CG-CD2 4.29Å; W181-Y207 AromaticContact CH2-CD2 3.94Å; W181-Y207 HydrophobicContact CH2-CD2 3.94Å; W181-Y207 HydrophobicContact CH2-CG 4.28Å; W181-Y207 AromaticContact CZ2-CD2 3.55Å; W181-Y207 HydrophobicContact CZ2-CD2 3.55Å; W181-Y207 HydrophobicContact CZ2-CE2 4.28Å; W181-Y207 HydrophobicContact CZ2-CG 4.31Å; W181-Y207 HydrophobicContact CZ3-CD2 4.17Å; W181-Y207 HydrophobicContact CZ3-CG 4.4Å; W181-Y207 AromaticContact NE1-CD2 3.9Å; Y207-Y209 AromaticContact CD1-CD1 3.88Å; Y207-Y209 HydrophobicContact CD1-CD1 3.88Å; Y207-Y209 AromaticContact CD1-CD2 3.52Å; Y207-Y209 HydrophobicContact CD1-CD2 3.52Å; Y207-Y209 AromaticContact CD1-CE1 3.67Å; Y207-Y209 HydrophobicContact CD1-CE1 3.67Å; Y207-Y209 AromaticContact CD1-CE2 3.29Å; Y207-Y209 HydrophobicContact CD1-CE2 3.29Å; Y207-Y209 AromaticContact CD1-CG 3.78Å; Y207-Y209 HydrophobicContact CD1-CG 3.78Å; Y207-Y209 AromaticContact CD1-CZ 3.33Å; Y207-Y209 AromaticContact CE1-CD1 3.82Å; Y207-Y209 HydrophobicContact CE1-CD1 3.82Å; Y207-Y209 HydrophobicContact CE1-CD2 4.31Å; Y207-Y209 AromaticContact CE1-CE1 3.6Å; Y207-Y209 HydrophobicContact CE1-CE1 3.6Å; Y207-Y209 HydrophobicContact CE1-CE2 4.11Å; Y207-Y209 HydrophobicContact CE1-CG 4.14Å; Y207-Y209 AromaticContact CE1-CZ 3.72Å; Y207-Y209 HydrophobicContact CG-CD2 4.43Å; Y207-Y209 AromaticContact CG-CE2 3.98Å; Y207-Y209 HydrophobicContact CG-CE2 3.98Å; Y207-Y209 PolarHBondContact O-N 2.68Å; Y207-Y209 VanDerWaalsContact O-N 3.15Å; Y207-P218 CarbonylContact O-C 3.48Å; Y207-P218 WeakPolarHBondContact O-CA 3.45Å; Y207-R219 PolarHBondContact N-O 3.14Å; Y207-R219 PolarHBondContact O-N 3.24Å
208	N	96.9	Very high	97.5	Very high	29 Å²	29	42.6 Å²	42.6	16%	0.155	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	84.7	178.4	-75.4	-44.1	0	0	0	112	R180 D182 Y210 P218	R180-N208 HydrophobicContact CB-CB 4.33Å; R180-N208 WeakPolarHBondContact O-CB 3.27Å; R180-N208 PolarHBondContact O-N 2.81Å; D182-N208 VanDerWaalsContact CG-ND2 3.34Å; D182-N208 PolarHBondContact OD2-ND2 3.18Å; N208-Y210 PolarHBondContact O-N 2.88Å; N208-P218 WeakPolarHBondContact OD1-CG 3.19Å
209	Y	97.3	Very high	97.5	Very high	77 Å²	77	43.7 Å²	43.7	30%	0.302	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	126.1	176.5	-78.7	-79.6	0	0	0	111.8	Y207 V211 T216 R217 R219	Y207-Y209 AromaticContact CD1-CD1 3.88Å; Y207-Y209 HydrophobicContact CD1-CD1 3.88Å; Y207-Y209 AromaticContact CD1-CD2 3.52Å; Y207-Y209 HydrophobicContact CD1-CD2 3.52Å; Y207-Y209 AromaticContact CD1-CE1 3.67Å; Y207-Y209 HydrophobicContact CD1-CE1 3.67Å; Y207-Y209 AromaticContact CD1-CE2 3.29Å; Y207-Y209 HydrophobicContact CD1-CE2 3.29Å; Y207-Y209 AromaticContact CD1-CG 3.78Å; Y207-Y209 HydrophobicContact CD1-CG 3.78Å; Y207-Y209 AromaticContact CD1-CZ 3.33Å; Y207-Y209 AromaticContact CE1-CD1 3.82Å; Y207-Y209 HydrophobicContact CE1-CD1 3.82Å; Y207-Y209 HydrophobicContact CE1-CD2 4.31Å; Y207-Y209 AromaticContact CE1-CE1 3.6Å; Y207-Y209 HydrophobicContact CE1-CE1 3.6Å; Y207-Y209 HydrophobicContact CE1-CE2 4.11Å; Y207-Y209 HydrophobicContact CE1-CG 4.14Å; Y207-Y209 AromaticContact CE1-CZ 3.72Å; Y207-Y209 HydrophobicContact CG-CD2 4.43Å; Y207-Y209 AromaticContact CG-CE2 3.98Å; Y207-Y209 HydrophobicContact CG-CE2 3.98Å; Y207-Y209 PolarHBondContact O-N 2.68Å; Y207-Y209 VanDerWaalsContact O-N 3.15Å; Y209-V211 PolarHBondContact O-N 3.31Å; Y209-T216 CarbonylContact O-C 3.6Å; Y209-T216 WeakPolarHBondContact O-CA 3.27Å; Y209-R217 WeakPolarHBondContact CB-O 3.41Å; Y209-R217 PolarHBondContact N-O 3.34Å; Y209-R217 PolarHBondContact O-N 3.46Å; Y209-R219 HydrophobicContact CD2-CB 3.65Å; Y209-R219 HydrophobicContact CE2-CB 3.69Å; Y209-R219 HydrophobicContact CE2-CG 4.26Å; Y209-R219 VanDerWaalsContact CE2-NE 3.3Å; Y209-R219 PolarHBondContact OH-NH1 2.76Å; Y209-R219 VanDerWaalsContact OH-NH1 3.16Å; Y209-R219 PolarHBondContact OH-NH2 2.88Å
210	Y	96.9	Very high	97.5	Very high	121 Å²	121	43.8 Å²	43.8	48%	0.475	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131	169.4	175.8	-111.3	0	0	0	111.1	N208 P213	N208-Y210 PolarHBondContact O-N 2.88Å; Y210-P213 VanDerWaalsContact OH-C 3.26Å; Y210-P213 PolarHBondContact OH-O 3.07Å
211	V	96.4	Very high	97.4	Very high	30 Å²	30	45.4 Å²	45.4	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	111.8	174.1	179	0	0	0	0	107.6	Y209 D214 K215 R217	Y209-V211 PolarHBondContact O-N 3.31Å; V211-D214 PolarHBondContact O-N 3.02Å; V211-K215 HydrophobicContact CB-CB 4.01Å; V211-K215 HydrophobicContact CG1-CB 4.39Å; V211-K215 PolarHBondContact N-O 2.97Å; V211-K215 PolarHBondContact O-N 3.34Å; V211-R217 HydrophobicContact CG2-CB 3.66Å
212	Y	93.1	Very high	97.4	Very high	195 Å²	195	45.8 Å²	45.8	77%	0.765	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	139.9	178.3	-179.9	-87.4	0	0	0	111.7
213	P	95.1	Very high	97.4	Very high	77 Å²	77	47.4 Å²	47.4	50%	0.5	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.8	-12.8	2	34.4	-34	0	0	0	115.8	Y210	Y210-P213 VanDerWaalsContact OH-C 3.26Å; Y210-P213 PolarHBondContact OH-O 3.07Å
214	D	95.6	Very high	97.4	Very high	96 Å²	96	47.8 Å²	47.8	51%	0.513	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-157.7	14.7	-166.6	65.8	-18.1	0	0	0	114.5	V211	V211-D214 PolarHBondContact O-N 3.02Å
215	K	97.1	Very high	97.4	Very high	92 Å²	92	48.7 Å²	48.7	40%	0.4	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	169.1	-175.3	-67.3	-169.4	-179.2	-174.6	0	112.3	V211 K251 Q253	V211-K215 HydrophobicContact CB-CB 4.01Å; V211-K215 HydrophobicContact CG1-CB 4.39Å; V211-K215 PolarHBondContact N-O 2.97Å; V211-K215 PolarHBondContact O-N 3.34Å; K215-K251 CarbonylContact C-O 3.59Å; K215-K251 VanDerWaalsContact CA-O 3.27Å; K215-K251 WeakPolarHBondContact CA-O 3.12Å; K215-K251 VanDerWaalsContact CB-O 3.3Å; K215-K251 WeakPolarHBondContact CB-O 3.46Å; K215-Q253 HydrophobicContact CD-CB 4.4Å
216	T	97.9	Very high	97.4	Very high	36 Å²	36	48.7 Å²	48.7	22%	0.221	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.2	169.9	57.9	0	0	0	0	111.5	Y209 K251 V252 Q253	Y209-T216 CarbonylContact O-C 3.6Å; Y209-T216 WeakPolarHBondContact O-CA 3.27Å; T216-K251 PolarHBondContact N-O 3.31Å; T216-V252 WeakPolarHBondContact O-CA 3.41Å; T216-Q253 PolarHBondContact O-N 2.94Å
217	R	98.2	Very high	97.4	Very high	75 Å²	75	50.3 Å²	50.3	28%	0.283	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	94.3	169.4	173.4	173.8	-79.4	124.2	7.7	107.9	Y209 V211 R219 Q253 D254 T256	Y209-R217 WeakPolarHBondContact CB-O 3.41Å; Y209-R217 PolarHBondContact N-O 3.34Å; Y209-R217 PolarHBondContact O-N 3.46Å; V211-R217 HydrophobicContact CG2-CB 3.66Å; R217-R219 PolarHBondContact O-N 3.37Å; R217-Q253 VanDerWaalsContact NH2-CD 3.28Å; R217-D254 IonicContact CZ-OD1 3.77Å; R217-D254 IonicContact CZ-OD2 2.85Å; R217-D254 IonicContact NE-OD1 3.53Å; R217-D254 PolarHBondContact NE-OD1 3.03Å; R217-D254 IonicContact NE-OD2 3.99Å; R217-D254 IonicContact NH2-OD1 3.57Å; R217-D254 PolarHBondContact NH2-OD1 3.23Å; R217-D254 IonicContact NH2-OD2 2.85Å; R217-D254 PolarHBondContact NH2-OD2 3.11Å; R217-T256 HydrophobicContact CG-CG2 4.05Å
218	P	98.4	Very high	97.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	128.3	173.1	-21.2	31.5	0	0	0	110.5	V206 Y207 N208 Y246 V252 D254 I255 T256	V206-P218 HydrophobicContact CG1-CB 3.53Å; Y207-P218 CarbonylContact O-C 3.48Å; Y207-P218 WeakPolarHBondContact O-CA 3.45Å; N208-P218 WeakPolarHBondContact OD1-CG 3.19Å; P218-Y246 HydrophobicContact CB-CD1 4.18Å; P218-Y246 HydrophobicContact CB-CD2 4.15Å; P218-Y246 HydrophobicContact CB-CE1 3.78Å; P218-Y246 HydrophobicContact CB-CE2 3.74Å; P218-Y246 HydrophobicContact CB-CG 4.35Å; P218-Y246 HydrophobicContact CG-CD1 3.5Å; P218-Y246 HydrophobicContact CG-CD2 4.2Å; P218-Y246 HydrophobicContact CG-CE1 3.43Å; P218-Y246 VanDerWaalsContact CG-CE1 3.43Å; P218-Y246 HydrophobicContact CG-CE2 4.14Å; P218-Y246 HydrophobicContact CG-CG 3.9Å; P218-V252 HydrophobicContact CG-CG1 3.83Å; P218-V252 HydrophobicContact CG-CG2 4.03Å; P218-D254 WeakPolarHBondContact CD-O 3.37Å; P218-I255 WeakPolarHBondContact O-CA 3.32Å; P218-T256 PolarHBondContact O-N 3.48Å
219	R	98.3	Very high	97.3	Very high	59 Å²	59	51.1 Å²	51.1	22%	0.223	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.5	177.1	-172.9	171.1	89.4	-164.9	10.9	109.2	V206 Y207 Y209 R217 S221 T256 E258	V206-R219 WeakPolarHBondContact CA-O 3.44Å; Y207-R219 PolarHBondContact N-O 3.14Å; Y207-R219 PolarHBondContact O-N 3.24Å; Y209-R219 HydrophobicContact CD2-CB 3.65Å; Y209-R219 HydrophobicContact CE2-CB 3.69Å; Y209-R219 HydrophobicContact CE2-CG 4.26Å; Y209-R219 VanDerWaalsContact CE2-NE 3.3Å; Y209-R219 PolarHBondContact OH-NH1 2.76Å; Y209-R219 VanDerWaalsContact OH-NH1 3.16Å; Y209-R219 PolarHBondContact OH-NH2 2.88Å; R217-R219 PolarHBondContact O-N 3.37Å; R219-S221 PolarHBondContact O-N 3.19Å; R219-T256 CarbonylContact C-O 3.48Å; R219-T256 WeakPolarHBondContact CA-O 3.42Å; R219-E258 HydrophobicContact CG-CB 4.21Å; R219-E258 IonicContact CZ-OE1 3.97Å; R219-E258 VanDerWaalsContact NH2-CD 3.28Å; R219-E258 IonicContact NH2-OE1 3.2Å; R219-E258 PolarHBondContact NH2-OE1 3.06Å; R219-E258 IonicContact NH2-OE2 2.68Å
220	V	98.4	Very high	97.3	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	121.3	171.1	179.4	0	0	0	0	107.8	M204 V206 I255 T256 A257 E258 Y264	M204-V220 HydrophobicContact CE-CG1 4.23Å; M204-V220 HydrophobicContact CG-CG1 3.82Å; M204-V220 HydrophobicContact SD-CB 4.42Å; M204-V220 HydrophobicContact SD-CG1 3.79Å; M204-V220 HydrophobicContact SD-CG2 3.78Å; V206-V220 HydrophobicContact CG2-CG2 4.16Å; V220-I255 HydrophobicContact CG2-CG2 4.15Å; V220-T256 PolarHBondContact N-O 2.84Å; V220-A257 HydrophobicContact CB-CB 4.41Å; V220-A257 CarbonylContact O-C 3.41Å; V220-A257 WeakPolarHBondContact O-CA 3.22Å; V220-E258 PolarHBondContact O-N 2.86Å; V220-Y264 HydrophobicContact CG1-CE2 3.92Å; V220-Y264 WeakPolarHBondContact CG2-OH 3.47Å
221	S	97.3	Very high	97	Very high	34 Å²	34	50.3 Å²	50.3	24%	0.238	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-67.4	-178.9	-174.8	0	0	0	0	109.2	T205 R219 E258	T205-S221 PolarHBondContact O-N 2.93Å; R219-S221 PolarHBondContact O-N 3.19Å; S221-E258 WeakPolarHBondContact CB-OE2 3.31Å; S221-E258 PolarHBondContact OG-OE2 3.09Å
222	Q	97.8	Very high	96.8	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.2	179.4	-56.8	147.1	-19.5	0	0	109.9	L164 I168 S172 M204 T205	L164-Q222 HydrophobicContact CD1-CB 3.88Å; L164-Q222 HydrophobicContact CD1-CG 3.68Å; L164-Q222 HydrophobicContact CD2-CB 4.27Å; I168-Q222 HydrophobicContact CD1-CB 4.19Å; S172-Q222 PolarHBondContact O-NE2 2.88Å; M204-Q222 CarbonylContact C-O 3.34Å; M204-Q222 VanDerWaalsContact CA-O 3.24Å; M204-Q222 WeakPolarHBondContact CA-O 3.4Å; T205-Q222 PolarHBondContact N-O 3.37Å; T205-Q222 WeakPolarHBondContact OG1-CB 3.35Å; T205-Q222 PolarHBondContact OG1-N 2.84Å; T205-Q222 PolarHBondContact OG1-OE1 2.93Å; T205-Q222 VanDerWaalsContact OG1-OE1 3.06Å
223	M	98.4	Very high	96.9	Very high	34 Å²	34	45 Å²	45	17%	0.167	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	123.9	174	-179.6	-175.9	-172	0	0	108.6	Y203 M204 G235 L238 Y264 L267	Y203-M223 WeakPolarHBondContact O-CA 3.31Å; M204-M223 HydrophobicContact CB-CG 4.42Å; M204-M223 HydrophobicContact CE-CB 4.16Å; M204-M223 HydrophobicContact CE-CE 3.66Å; M204-M223 HydrophobicContact CE-CG 3.68Å; M204-M223 HydrophobicContact CE-SD 3.31Å; M204-M223 WeakPolarHBondContact CE-SD 3.21Å; M204-M223 HydrophobicContact CG-CB 4.31Å; M223-G235 VanDerWaalsContact CE-O 3.28Å; M223-G235 WeakPolarHBondContact CE-O 3.32Å; M223-L238 HydrophobicContact CE-CB 4.35Å; M223-L238 HydrophobicContact CE-CD2 4.11Å; M223-L238 HydrophobicContact CE-CG 4.41Å; M223-Y264 HydrophobicContact SD-CD2 3.68Å; M223-Y264 HydrophobicContact SD-CE2 3.68Å; M223-L267 HydrophobicContact CE-CD2 3.55Å; M223-L267 HydrophobicContact SD-CD2 3.95Å
224	L	98.6	Very high	97	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.8	178.8	-179.6	62.4	0	0	0	110.1	F163 L164 F167 G202 Y203 L226	F163-L224 HydrophobicContact CB-CD2 3.58Å; L164-L224 HydrophobicContact CD2-CB 4.04Å; L164-L224 HydrophobicContact CD2-CD2 4.13Å; F167-L224 HydrophobicContact CB-CD1 3.61Å; F167-L224 HydrophobicContact CB-CD2 4.45Å; F167-L224 HydrophobicContact CD2-CD1 4.24Å; F167-L224 HydrophobicContact CD2-CD2 4.16Å; F167-L224 HydrophobicContact CG-CD1 4.12Å; G202-L224 CarbonylContact C-O 3.58Å; G202-L224 WeakPolarHBondContact CA-O 3.49Å; Y203-L224 HydrophobicContact CD1-CB 4.46Å; Y203-L224 HydrophobicContact CE1-CB 4.47Å; Y203-L224 PolarHBondContact N-O 2.91Å; Y203-L224 PolarHBondContact O-N 3.34Å; L224-L226 HydrophobicContact CD2-CD2 4.04Å
225	I	98.7	Very high	97.1	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.092	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.1	158.1	-59	-59.9	0	0	0	105.7	V186 V201 F229 Q230 H234 L238	V186-I225 HydrophobicContact CG2-CD1 4.43Å; V201-I225 HydrophobicContact CG1-CG2 4.27Å; I225-F229 HydrophobicContact CG2-CB 3.96Å; I225-F229 WeakPolarHBondContact CG2-O 3.1Å; I225-Q230 HydrophobicContact CB-CG 4.24Å; I225-Q230 HydrophobicContact CG2-CG 4.15Å; I225-Q230 WeakPolarHBondContact O-CG 3.42Å; I225-Q230 PolarHBondContact O-NE2 3.11Å; I225-H234 HydrophobicContact CD1-CB 4.12Å; I225-H234 HydrophobicContact CG2-CB 4.41Å; I225-L238 HydrophobicContact CD1-CD2 4.24Å
226	L	98.6	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.2	C	C	.	.			trans	-62.6	143.4	-176.6	-66.6	168.5	0	0	0	109.8	L20 F163 T200 V201 L224 P228 F229	L20-L226 HydrophobicContact CD1-CB 4.21Å; L20-L226 HydrophobicContact CD1-CD1 3.71Å; L20-L226 HydrophobicContact CD2-CD1 4.18Å; F163-L226 HydrophobicContact CB-CD2 4.03Å; F163-L226 HydrophobicContact CD1-CD2 3.6Å; F163-L226 HydrophobicContact CD2-CD2 4.09Å; F163-L226 HydrophobicContact CE1-CD2 3.98Å; F163-L226 HydrophobicContact CE2-CD2 4.43Å; F163-L226 HydrophobicContact CG-CD2 3.64Å; F163-L226 HydrophobicContact CZ-CD2 4.36Å; T200-L226 HydrophobicContact CG2-CD1 4.08Å; V201-L226 PolarHBondContact O-N 2.83Å; L224-L226 HydrophobicContact CD2-CD2 4.04Å; L226-P228 VanDerWaalsContact C-N 3.33Å; L226-P228 VanDerWaalsContact O-N 3.13Å; L226-F229 HydrophobicContact CB-CD2 4.02Å; L226-F229 HydrophobicContact CB-CE2 4.35Å; L226-F229 PolarHBondContact O-N 2.96Å
227	P	97.9	Very high	97.2	Very high	34 Å²	34	34 Å²	34	22%	0.221	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-49.8	-41.1	-169.5	-29.4	36.2	0	0	0	115.8	F34 F167 F229 Q230	F34-P227 HydrophobicContact CB-CB 4.29Å; F34-P227 HydrophobicContact CD2-CB 3.95Å; F34-P227 HydrophobicContact CD2-CG 3.58Å; F34-P227 HydrophobicContact CE2-CG 3.92Å; F34-P227 HydrophobicContact CG-CB 4.2Å; F34-P227 HydrophobicContact CG-CG 4.33Å; F167-P227 HydrophobicContact CD1-CG 4.24Å; F167-P227 HydrophobicContact CE1-CG 3.59Å; F167-P227 HydrophobicContact CE2-CG 3.93Å; F167-P227 HydrophobicContact CZ-CG 3.43Å; F167-P227 VanDerWaalsContact CZ-CG 3.43Å; P227-F229 PolarHBondContact O-N 3.25Å; P227-Q230 PolarHBondContact O-N 3.12Å
228	P	97	Very high	97.2	Very high	61 Å²	61	30.5 Å²	30.5	40%	0.396	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-61.1	-13.4	178.5	-25.7	36.7	0	0	0	115.4	L20 F34 L226	L20-P228 HydrophobicContact CD1-CG 4.35Å; F34-P228 HydrophobicContact CD1-CG 3.7Å; F34-P228 HydrophobicContact CE1-CG 3.81Å; F34-P228 HydrophobicContact CG-CG 4.39Å; L226-P228 VanDerWaalsContact C-N 3.33Å; L226-P228 VanDerWaalsContact O-N 3.13Å
229	F	97	Very high	97.2	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.061	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-119.8	10.6	-177	-43.9	-75	0	0	0	113.2	L20 E188 T200 V201 I225 L226 P227 H234	L20-F229 HydrophobicContact CD1-CE2 3.58Å; L20-F229 HydrophobicContact CD1-CZ 4.17Å; E188-F229 WeakPolarHBondContact OE2-CE1 3.25Å; T200-F229 WeakPolarHBondContact O-CE2 3.49Å; V201-F229 HydrophobicContact CB-CD2 4.15Å; V201-F229 HydrophobicContact CB-CE2 4.48Å; V201-F229 HydrophobicContact CB-CG 4.38Å; V201-F229 HydrophobicContact CG1-CB 3.79Å; V201-F229 HydrophobicContact CG1-CD2 4.06Å; V201-F229 HydrophobicContact CG1-CG 3.95Å; V201-F229 HydrophobicContact CG2-CD1 4.28Å; V201-F229 HydrophobicContact CG2-CD2 4.19Å; V201-F229 HydrophobicContact CG2-CE1 4.34Å; V201-F229 HydrophobicContact CG2-CE2 4.24Å; V201-F229 HydrophobicContact CG2-CG 4.21Å; V201-F229 HydrophobicContact CG2-CZ 4.32Å; I225-F229 HydrophobicContact CG2-CB 3.96Å; I225-F229 WeakPolarHBondContact CG2-O 3.1Å; L226-F229 HydrophobicContact CB-CD2 4.02Å; L226-F229 HydrophobicContact CB-CE2 4.35Å; L226-F229 PolarHBondContact O-N 2.96Å; P227-F229 PolarHBondContact O-N 3.25Å; F229-H234 PolarHBondContact O-CD2 3.06Å; F229-H234 VanDerWaalsContact O-CD2 3.22Å
230	Q	96	Very high	97.2	Very high	93 Å²	93	28.6 Å²	28.6	44%	0.435	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	158.1	177.5	-68.7	-174	9.4	0	0	111.5	I225 P227 E232	I225-Q230 HydrophobicContact CB-CG 4.24Å; I225-Q230 HydrophobicContact CG2-CG 4.15Å; I225-Q230 WeakPolarHBondContact O-CG 3.42Å; I225-Q230 PolarHBondContact O-NE2 3.11Å; P227-Q230 PolarHBondContact O-N 3.12Å; Q230-E232 PolarHBondContact O-N 3.27Å; Q230-E232 VanDerWaalsContact O-N 3.14Å
231	G	91.8	Very high	97.2	Very high	88 Å²	88	28.7 Å²	28.7	91%	0.907	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	-13.2	-179	0	0	0	0	0	115.3	G233	G231-G233 PolarHBondContact O-N 2.62Å
232	E	92.2	Very high	97.3	Very high	91 Å²	91	27 Å²	27	43%	0.425	17%	0.17	S	C	.	.	S	Bend	trans	-92.9	8.1	-175.4	-60.4	-176.7	-162.8	0	0	114.5	Q230 H234	Q230-E232 PolarHBondContact O-N 3.27Å; Q230-E232 VanDerWaalsContact O-N 3.14Å; E232-H234 IonicContact OE2-NE2 3.22Å
233	G	94.4	Very high	97.2	Very high	22 Å²	22	26.8 Å²	26.8	23%	0.227	17%	0.169	C	C	.	.	S	Bend	trans	85.6	1.3	174.8	0	0	0	0	0	116	G231 G235 A236 Q237	G231-G233 PolarHBondContact O-N 2.62Å; G233-G235 VanDerWaalsContact C-N 3.32Å; G233-G235 PolarHBondContact O-N 2.8Å; G233-A236 WeakPolarHBondContact O-CB 3.46Å; G233-A236 PolarHBondContact O-N 2.84Å; G233-Q237 PolarHBondContact O-N 2.93Å; G233-Q237 VanDerWaalsContact O-N 3.13Å
234	H	97.8	Very high	97.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-38.4	178.2	-56.2	-31.5	0	0	0	113.7	Y129 Y141 V201 I225 F229 E232 A236 Q237 L238	Y129-H234 AromaticContact CE2-ND1 3.62Å; Y129-H234 AromaticContact CZ-ND1 3.71Å; Y129-H234 PolarHBondContact OH-ND1 2.95Å; Y141-H234 AromaticContact CD1-CE1 3.86Å; Y141-H234 AromaticContact CE1-CE1 3.39Å; Y141-H234 WeakPolarHBondContact CE1-CE1 3.48Å; Y141-H234 AromaticContact CE1-NE2 3.41Å; Y141-H234 WeakPolarHBondContact CE1-NE2 3.49Å; Y141-H234 AromaticContact CE2-CE1 3.73Å; Y141-H234 AromaticContact CZ-CE1 3.33Å; Y141-H234 AromaticContact CZ-NE2 3.6Å; V201-H234 HydrophobicContact CG1-CB 4.24Å; I225-H234 HydrophobicContact CD1-CB 4.12Å; I225-H234 HydrophobicContact CG2-CB 4.41Å; F229-H234 PolarHBondContact O-CD2 3.06Å; F229-H234 VanDerWaalsContact O-CD2 3.22Å; E232-H234 IonicContact OE2-NE2 3.22Å; H234-A236 PolarHBondContact O-N 3.42Å; H234-Q237 PolarHBondContact O-N 2.83Å; H234-L238 WeakPolarHBondContact O-CB 3.2Å; H234-L238 PolarHBondContact O-N 2.92Å
235	G	98.2	Very high	97.2	Very high	12 Å²	12	31.3 Å²	31.3	12%	0.124	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-34.7	174.2	0	0	0	0	0	112.7	M223 G233 L239	M223-G235 VanDerWaalsContact CE-O 3.28Å; M223-G235 WeakPolarHBondContact CE-O 3.32Å; G233-G235 VanDerWaalsContact C-N 3.32Å; G233-G235 PolarHBondContact O-N 2.8Å; G235-L239 WeakPolarHBondContact O-CB 3.38Å; G235-L239 PolarHBondContact O-N 3.28Å
236	A	97.7	Very high	97.2	Very high	8 Å²	8	30.5 Å²	30.5	7%	0.066	18%	0.181	C	C	.	.	H	α-helix	trans	-71.6	-43.4	177.2	0	0	0	0	0	110.9	G233 H234 L238 L239 E240 L267 Y270 V271	G233-A236 WeakPolarHBondContact O-CB 3.46Å; G233-A236 PolarHBondContact O-N 2.84Å; H234-A236 PolarHBondContact O-N 3.42Å; A236-L238 VanDerWaalsContact C-N 3.33Å; A236-L238 PolarHBondContact O-N 2.74Å; A236-L239 PolarHBondContact O-N 2.9Å; A236-E240 WeakPolarHBondContact O-CB 3.29Å; A236-E240 PolarHBondContact O-N 3.2Å; A236-L267 HydrophobicContact CB-CD1 3.88Å; A236-Y270 HydrophobicContact CB-CD1 4.26Å; A236-Y270 HydrophobicContact CB-CE1 4.02Å; A236-V271 HydrophobicContact CB-CG2 3.82Å
237	Q	98.2	Very high	97.1	Very high	50 Å²	50	32.4 Å²	32.4	23%	0.234	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-43.7	174.4	-67.7	-69.6	3.3	0	0	111.8	Y129 I143 G233 H234 E240 A241	Y129-Q237 HydrophobicContact CD1-CB 4.07Å; Y129-Q237 HydrophobicContact CD1-CG 4.05Å; Y129-Q237 HydrophobicContact CD2-CG 4.01Å; Y129-Q237 HydrophobicContact CE1-CB 3.68Å; Y129-Q237 HydrophobicContact CE1-CG 3.94Å; Y129-Q237 HydrophobicContact CE2-CB 4.46Å; Y129-Q237 HydrophobicContact CE2-CG 3.93Å; Y129-Q237 HydrophobicContact CG-CG 4.08Å; I143-Q237 HydrophobicContact CD1-CB 4.11Å; I143-Q237 WeakPolarHBondContact CD1-O 2.95Å; G233-Q237 PolarHBondContact O-N 2.93Å; G233-Q237 VanDerWaalsContact O-N 3.13Å; H234-Q237 PolarHBondContact O-N 2.83Å; Q237-E240 PolarHBondContact O-N 2.87Å; Q237-A241 VanDerWaalsContact O-CB 3.31Å; Q237-A241 WeakPolarHBondContact O-CB 3.45Å; Q237-A241 PolarHBondContact O-N 3.24Å
238	L	98.8	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-54.3	177.6	-179.4	55.4	0	0	0	111.5	I143 F184 V186 M204 M223 I225 H234 A236 E240 A241 V242	I143-L238 HydrophobicContact CG2-CD1 3.84Å; F184-L238 HydrophobicContact CB-CD1 3.81Å; V186-L238 HydrophobicContact CG2-CB 4.09Å; V186-L238 HydrophobicContact CG2-CD1 3.83Å; V186-L238 HydrophobicContact CG2-CD2 3.8Å; V186-L238 HydrophobicContact CG2-CG 4.12Å; M204-L238 HydrophobicContact CB-CD2 3.92Å; M204-L238 HydrophobicContact CB-CG 4.36Å; M204-L238 HydrophobicContact CE-CD2 4.42Å; M204-L238 HydrophobicContact CE-CG 4.24Å; M223-L238 HydrophobicContact CE-CB 4.35Å; M223-L238 HydrophobicContact CE-CD2 4.11Å; M223-L238 HydrophobicContact CE-CG 4.41Å; I225-L238 HydrophobicContact CD1-CD2 4.24Å; H234-L238 WeakPolarHBondContact O-CB 3.2Å; H234-L238 PolarHBondContact O-N 2.92Å; A236-L238 VanDerWaalsContact C-N 3.33Å; A236-L238 PolarHBondContact O-N 2.74Å; L238-E240 VanDerWaalsContact C-N 3.31Å; L238-E240 PolarHBondContact O-N 2.95Å; L238-A241 PolarHBondContact O-N 3.07Å; L238-V242 HydrophobicContact CD1-CG2 4.25Å; L238-V242 VanDerWaalsContact O-CG2 3.27Å; L238-V242 WeakPolarHBondContact O-CG2 3.29Å; L238-V242 PolarHBondContact O-N 2.8Å
239	L	98.6	Very high	97.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-37.5	-179.3	-176.8	61.5	0	0	0	112.1	M204 G235 A236 V242 H243 L267 R268 V271	M204-L239 HydrophobicContact CE-CB 4.45Å; M204-L239 HydrophobicContact CE-CD1 4.06Å; G235-L239 WeakPolarHBondContact O-CB 3.38Å; G235-L239 PolarHBondContact O-N 3.28Å; A236-L239 PolarHBondContact O-N 2.9Å; L239-V242 PolarHBondContact O-N 2.84Å; L239-H243 PolarHBondContact O-CD2 2.98Å; L239-H243 PolarHBondContact O-N 2.92Å; L239-L267 HydrophobicContact CD2-CG 4.42Å; L239-R268 HydrophobicContact CD2-CB 4.05Å; L239-R268 HydrophobicContact CD2-CG 4.39Å; L239-V271 HydrophobicContact CB-CG2 4.39Å; L239-V271 HydrophobicContact CD2-CB 4.1Å; L239-V271 HydrophobicContact CD2-CG1 4.36Å; L239-V271 HydrophobicContact CD2-CG2 4.16Å; L239-V271 HydrophobicContact CG-CB 4.5Å; L239-V271 HydrophobicContact CG-CG1 4.24Å
240	E	98	Very high	97	Very high	20 Å²	20	39.9 Å²	39.9	9%	0.093	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-43.2	176	-164.3	-179.3	139.3	0	0	111.7	A236 Q237 L238 H243 R244 V271 K274 L275	A236-E240 WeakPolarHBondContact O-CB 3.29Å; A236-E240 PolarHBondContact O-N 3.2Å; Q237-E240 PolarHBondContact O-N 2.87Å; L238-E240 VanDerWaalsContact C-N 3.31Å; L238-E240 PolarHBondContact O-N 2.95Å; E240-H243 PolarHBondContact O-N 3.26Å; E240-R244 WeakPolarHBondContact O-CG 3.43Å; E240-R244 PolarHBondContact O-N 2.83Å; E240-R244 IonicContact OE1-CZ 3.85Å; E240-R244 IonicContact OE1-NH1 3.7Å; E240-R244 PolarHBondContact OE1-NH1 3.34Å; E240-V271 HydrophobicContact CB-CG1 4.04Å; E240-V271 HydrophobicContact CG-CG1 4.46Å; E240-K274 IonicContact OE1-NZ 2.68Å; E240-K274 IonicContact OE2-NZ 3.61Å; E240-K274 PolarHBondContact OE2-NZ 2.85Å; E240-L275 HydrophobicContact CG-CD2 4.03Å
241	A	98.4	Very high	97.1	Very high	4 Å²	4	42 Å²	42	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-41.1	175.8	0	0	0	0	0	112.2	H127 I143 Q237 L238 R244 F245	H127-A241 HydrophobicContact CB-CB 4.25Å; I143-A241 HydrophobicContact CB-CB 4.5Å; I143-A241 HydrophobicContact CD1-CB 3.67Å; I143-A241 HydrophobicContact CG2-CB 4.17Å; Q237-A241 VanDerWaalsContact O-CB 3.31Å; Q237-A241 WeakPolarHBondContact O-CB 3.45Å; Q237-A241 PolarHBondContact O-N 3.24Å; L238-A241 PolarHBondContact O-N 3.07Å; A241-R244 PolarHBondContact O-N 3.32Å; A241-F245 WeakPolarHBondContact O-CB 3.47Å; A241-F245 PolarHBondContact O-N 3.16Å
242	V	98.4	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-45.1	174.6	171	0	0	0	0	111.1	F184 M204 L238 L239 F245 Y246	F184-V242 HydrophobicContact CB-CG2 4Å; F184-V242 HydrophobicContact CD1-CG2 3.68Å; F184-V242 HydrophobicContact CD2-CG2 3.82Å; F184-V242 HydrophobicContact CE1-CG2 4.04Å; F184-V242 HydrophobicContact CE2-CG1 4.32Å; F184-V242 HydrophobicContact CE2-CG2 4.18Å; F184-V242 HydrophobicContact CG-CG2 3.55Å; F184-V242 HydrophobicContact CZ-CG1 4.35Å; F184-V242 HydrophobicContact CZ-CG2 4.28Å; M204-V242 HydrophobicContact SD-CB 4.4Å; M204-V242 HydrophobicContact SD-CG1 4.17Å; M204-V242 HydrophobicContact SD-CG2 3.88Å; L238-V242 HydrophobicContact CD1-CG2 4.25Å; L238-V242 VanDerWaalsContact O-CG2 3.27Å; L238-V242 WeakPolarHBondContact O-CG2 3.29Å; L238-V242 PolarHBondContact O-N 2.8Å; L239-V242 PolarHBondContact O-N 2.84Å; V242-F245 PolarHBondContact O-N 2.91Å; V242-Y246 HydrophobicContact CG1-CD2 3.68Å; V242-Y246 HydrophobicContact CG1-CE2 3.58Å; V242-Y246 VanDerWaalsContact O-CD2 3.27Å; V242-Y246 WeakPolarHBondContact O-CD2 3.34Å; V242-Y246 PolarHBondContact O-N 3.11Å
243	H	97.6	Very high	97.6	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-48.9	173.8	-94.1	-94	0	0	0	111.6	L239 E240 F245 Y246 C247 L272 L275 L303	L239-H243 PolarHBondContact O-CD2 2.98Å; L239-H243 PolarHBondContact O-N 2.92Å; E240-H243 PolarHBondContact O-N 3.26Å; H243-F245 VanDerWaalsContact C-N 3.31Å; H243-F245 PolarHBondContact O-N 2.98Å; H243-Y246 PolarHBondContact O-N 3.23Å; H243-C247 WeakPolarHBondContact O-CB 3.4Å; H243-C247 PolarHBondContact O-N 3.28Å; H243-C247 PolarHBondContact O-SG 3.38Å; H243-L272 VanDerWaalsContact CE1-CD2 3.42Å; H243-L272 WeakPolarHBondContact CE1-CD2 3.42Å; H243-L272 WeakPolarHBondContact NE2-CD2 3.43Å; H243-L275 HydrophobicContact CB-CD1 4.22Å; H243-L303 PolarHBondContact ND1-O 3.47Å; H243-L303 VanDerWaalsContact ND1-O 3.09Å
244	R	97.8	Very high	97.7	Very high	96 Å²	96	35.5 Å²	35.5	36%	0.362	19%	0.19	S	C	.	.	H	α-helix	trans	-56.9	-43.7	177.3	-74.9	-169.8	-67.6	-107.5	2	112.3	H127 E240 A241 C247 S248	H127-R244 PolarHBondContact CD2-NH2 2.97Å; H127-R244 VanDerWaalsContact CD2-NH2 3.31Å; H127-R244 PolarHBondContact NE2-NH2 2.77Å; E240-R244 WeakPolarHBondContact O-CG 3.43Å; E240-R244 PolarHBondContact O-N 2.83Å; E240-R244 IonicContact OE1-CZ 3.85Å; E240-R244 IonicContact OE1-NH1 3.7Å; E240-R244 PolarHBondContact OE1-NH1 3.34Å; A241-R244 PolarHBondContact O-N 3.32Å; R244-C247 PolarHBondContact O-N 2.69Å; R244-S248 PolarHBondContact O-N 3.22Å
245	F	98.3	Very high	97.8	Very high	41 Å²	41	35.6 Å²	35.6	18%	0.18	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-55.6	176.7	171.6	-102.3	0	0	0	111.3	L126 K145 F184 A241 V242 H243 C247 S248 L249	L126-F245 HydrophobicContact CD1-CB 4.09Å; L126-F245 HydrophobicContact CD1-CD2 4.27Å; L126-F245 HydrophobicContact CD1-CG 4.27Å; L126-F245 HydrophobicContact CD2-CD2 4.01Å; K145-F245 HydrophobicContact CD-CD1 4.48Å; K145-F245 HydrophobicContact CD-CD2 4.3Å; K145-F245 HydrophobicContact CD-CE1 3.85Å; K145-F245 HydrophobicContact CD-CE2 3.65Å; K145-F245 HydrophobicContact CD-CZ 3.41Å; K145-F245 VanDerWaalsContact CD-CZ 3.41Å; F184-F245 HydrophobicContact CE1-CB 4.35Å; F184-F245 AromaticContact CE1-CD1 3.8Å; F184-F245 HydrophobicContact CE1-CD1 3.8Å; F184-F245 HydrophobicContact CE1-CE1 4.37Å; F184-F245 HydrophobicContact CE1-CG 4.08Å; F184-F245 AromaticContact CZ-CD1 3.68Å; F184-F245 HydrophobicContact CZ-CD1 3.68Å; F184-F245 HydrophobicContact CZ-CE1 4.03Å; F184-F245 HydrophobicContact CZ-CG 4.42Å; A241-F245 WeakPolarHBondContact O-CB 3.47Å; A241-F245 PolarHBondContact O-N 3.16Å; V242-F245 PolarHBondContact O-N 2.91Å; H243-F245 VanDerWaalsContact C-N 3.31Å; H243-F245 PolarHBondContact O-N 2.98Å; F245-C247 VanDerWaalsContact C-N 3.3Å; F245-C247 PolarHBondContact O-N 2.85Å; F245-S248 WeakPolarHBondContact O-CB 3.42Å; F245-S248 PolarHBondContact O-N 3.5Å; F245-S248 PolarHBondContact O-OG 3.12Å; F245-L249 HydrophobicContact CE1-CD1 3.91Å; F245-L249 HydrophobicContact CZ-CD1 3.93Å
246	Y	98.2	Very high	97.7	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-70	-24.4	-178.3	-73.9	-57.7	0	0	0	114	D182 F184 V206 P218 V242 H243 S248 L249 V252 I255	D182-Y246 PolarHBondContact OD2-OH 2.72Å; F184-Y246 HydrophobicContact CE2-CE2 4.1Å; F184-Y246 AromaticContact CZ-CE2 3.89Å; F184-Y246 HydrophobicContact CZ-CE2 3.89Å; F184-Y246 AromaticContact CZ-CZ 3.95Å; V206-Y246 HydrophobicContact CB-CE2 4.46Å; V206-Y246 WeakPolarHBondContact CB-OH 3.47Å; V206-Y246 HydrophobicContact CG1-CE2 3.93Å; V206-Y246 WeakPolarHBondContact CG1-OH 3.38Å; V206-Y246 HydrophobicContact CG2-CE2 4.45Å; P218-Y246 HydrophobicContact CB-CD1 4.18Å; P218-Y246 HydrophobicContact CB-CD2 4.15Å; P218-Y246 HydrophobicContact CB-CE1 3.78Å; P218-Y246 HydrophobicContact CB-CE2 3.74Å; P218-Y246 HydrophobicContact CB-CG 4.35Å; P218-Y246 HydrophobicContact CG-CD1 3.5Å; P218-Y246 HydrophobicContact CG-CD2 4.2Å; P218-Y246 HydrophobicContact CG-CE1 3.43Å; P218-Y246 VanDerWaalsContact CG-CE1 3.43Å; P218-Y246 HydrophobicContact CG-CE2 4.14Å; P218-Y246 HydrophobicContact CG-CG 3.9Å; V242-Y246 HydrophobicContact CG1-CD2 3.68Å; V242-Y246 HydrophobicContact CG1-CE2 3.58Å; V242-Y246 VanDerWaalsContact O-CD2 3.27Å; V242-Y246 WeakPolarHBondContact O-CD2 3.34Å; V242-Y246 PolarHBondContact O-N 3.11Å; H243-Y246 PolarHBondContact O-N 3.23Å; Y246-S248 PolarHBondContact O-N 3.02Å; Y246-L249 HydrophobicContact CD1-CD1 4.08Å; Y246-L249 PolarHBondContact O-N 3.36Å; Y246-L249 VanDerWaalsContact O-N 3.15Å; Y246-V252 HydrophobicContact CD1-CG2 3.85Å; Y246-I255 HydrophobicContact CD2-CD1 3.7Å; Y246-I255 HydrophobicContact CD2-CG1 4.23Å; Y246-I255 HydrophobicContact CG-CD1 4.15Å
247	C	97.3	Very high	97.7	Very high	41 Å²	41	37 Å²	37	28%	0.277	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-31.8	170.5	-69.8	0	0	0	0	112.2	H243 R244 F245 L249 L303 K304	H243-C247 WeakPolarHBondContact O-CB 3.4Å; H243-C247 PolarHBondContact O-N 3.28Å; H243-C247 PolarHBondContact O-SG 3.38Å; R244-C247 PolarHBondContact O-N 2.69Å; F245-C247 VanDerWaalsContact C-N 3.3Å; F245-C247 PolarHBondContact O-N 2.85Å; C247-L249 PolarHBondContact O-N 2.95Å; C247-L303 WeakPolarHBondContact SG-CA 3.27Å; C247-K304 HydrophobicContact CB-CG 4.42Å
248	S	97	Very high	97.5	Very high	81 Å²	81	39.2 Å²	39.2	57%	0.566	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.1	176.2	79.6	0	0	0	0	113.7	R244 F245 Y246 P250	R244-S248 PolarHBondContact O-N 3.22Å; F245-S248 WeakPolarHBondContact O-CB 3.42Å; F245-S248 PolarHBondContact O-N 3.5Å; F245-S248 PolarHBondContact O-OG 3.12Å; Y246-S248 PolarHBondContact O-N 3.02Å; S248-P250 WeakPolarHBondContact O-CD 3.39Å
249	L	97.3	Very high	97.2	Very high	65 Å²	65	45.8 Å²	45.8	34%	0.34	24%	0.243	S	C	.	.			trans	-100	113.6	-176.4	-58.3	-173.9	0	0	0	111.4	F245 Y246 C247 K251 V252 K304	F245-L249 HydrophobicContact CE1-CD1 3.91Å; F245-L249 HydrophobicContact CZ-CD1 3.93Å; Y246-L249 HydrophobicContact CD1-CD1 4.08Å; Y246-L249 PolarHBondContact O-N 3.36Å; Y246-L249 VanDerWaalsContact O-N 3.15Å; C247-L249 PolarHBondContact O-N 2.95Å; L249-K251 VanDerWaalsContact C-N 3.3Å; L249-K251 PolarHBondContact O-N 2.94Å; L249-V252 HydrophobicContact CB-CB 4.47Å; L249-V252 HydrophobicContact CB-CG2 3.73Å; L249-V252 HydrophobicContact CD1-CG2 4.28Å; L249-V252 PolarHBondContact O-N 2.97Å; L249-K304 PolarHBondContact O-NZ 3.12Å
250	P	95.9	Very high	97.1	Very high	119 Å²	119	48 Å²	48	77%	0.773	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.8	-176.2	-25.1	35.1	0	0	0	114.5	S248 V252	S248-P250 WeakPolarHBondContact O-CD 3.39Å; P250-V252 VanDerWaalsContact C-N 3.27Å; P250-V252 PolarHBondContact O-N 2.91Å
251	K	96.7	Very high	96.9	Very high	139 Å²	139	50.4 Å²	50.4	60%	0.604	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.8	-178.6	-66.2	-172.4	176.6	-176.4	0	113.6	K215 T216 L249 Q253	K215-K251 CarbonylContact C-O 3.59Å; K215-K251 VanDerWaalsContact CA-O 3.27Å; K215-K251 WeakPolarHBondContact CA-O 3.12Å; K215-K251 VanDerWaalsContact CB-O 3.3Å; K215-K251 WeakPolarHBondContact CB-O 3.46Å; T216-K251 PolarHBondContact N-O 3.31Å; L249-K251 VanDerWaalsContact C-N 3.3Å; L249-K251 PolarHBondContact O-N 2.94Å; K251-Q253 PolarHBondContact O-N 2.69Å
252	V	98.1	Very high	96.7	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.024	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-74.6	124.3	178.7	174.8	0	0	0	0	109.8	T216 P218 Y246 L249 P250 K304	T216-V252 WeakPolarHBondContact O-CA 3.41Å; P218-V252 HydrophobicContact CG-CG1 3.83Å; P218-V252 HydrophobicContact CG-CG2 4.03Å; Y246-V252 HydrophobicContact CD1-CG2 3.85Å; L249-V252 HydrophobicContact CB-CB 4.47Å; L249-V252 HydrophobicContact CB-CG2 3.73Å; L249-V252 HydrophobicContact CD1-CG2 4.28Å; L249-V252 PolarHBondContact O-N 2.97Å; P250-V252 VanDerWaalsContact C-N 3.27Å; P250-V252 PolarHBondContact O-N 2.91Å; V252-K304 HydrophobicContact CB-CD 4.43Å; V252-K304 HydrophobicContact CG1-CB 4.31Å; V252-K304 HydrophobicContact CG1-CD 4.17Å; V252-K304 HydrophobicContact CG1-CG 4.1Å; V252-K304 WeakPolarHBondContact O-CD 3.34Å; V252-K304 WeakPolarHBondContact O-CE 3.45Å; V252-K304 PolarHBondContact O-NZ 3.39Å
253	Q	96.8	Very high	96.6	Very high	54 Å²	54	62.7 Å²	62.7	25%	0.252	34%	0.337	S	S	.	.			trans	-81.2	-56.8	178	-172.2	177.2	24.7	0	0	111.8	K215 T216 R217 K251 Q300	K215-Q253 HydrophobicContact CD-CB 4.4Å; T216-Q253 PolarHBondContact O-N 2.94Å; R217-Q253 VanDerWaalsContact NH2-CD 3.28Å; K251-Q253 PolarHBondContact O-N 2.69Å; Q253-Q300 WeakPolarHBondContact O-CG 3.39Å
254	D	97.4	Very high	96.6	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.032	34%	0.34	C	S	.	.			trans	-164.4	164.6	178.2	52.5	73.6	0	0	0	109.7	R217 P218 Q300 K304 N306	R217-D254 IonicContact CZ-OD1 3.77Å; R217-D254 IonicContact CZ-OD2 2.85Å; R217-D254 IonicContact NE-OD1 3.53Å; R217-D254 PolarHBondContact NE-OD1 3.03Å; R217-D254 IonicContact NE-OD2 3.99Å; R217-D254 IonicContact NH2-OD1 3.57Å; R217-D254 PolarHBondContact NH2-OD1 3.23Å; R217-D254 IonicContact NH2-OD2 2.85Å; R217-D254 PolarHBondContact NH2-OD2 3.11Å; P218-D254 WeakPolarHBondContact CD-O 3.37Å; D254-Q300 PolarHBondContact OD2-NE2 2.92Å; D254-K304 CarbonylContact C-O 3.44Å; D254-K304 WeakPolarHBondContact CA-O 3.16Å; D254-K304 WeakPolarHBondContact CB-O 3.3Å; D254-N306 HydrophobicContact CB-CB 3.92Å
255	I	98.4	Very high	96.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-102.1	135.4	177.9	-54.4	172.6	0	0	0	109.6	P218 V220 Y246 K304 N306	P218-I255 WeakPolarHBondContact O-CA 3.32Å; V220-I255 HydrophobicContact CG2-CG2 4.15Å; Y246-I255 HydrophobicContact CD2-CD1 3.7Å; Y246-I255 HydrophobicContact CD2-CG1 4.23Å; Y246-I255 HydrophobicContact CG-CD1 4.15Å; I255-K304 HydrophobicContact CD1-CB 4.43Å; I255-K304 HydrophobicContact CG1-CB 4.2Å; I255-K304 PolarHBondContact N-O 2.95Å; I255-N306 PolarHBondContact O-ND2 3Å; I255-N306 VanDerWaalsContact O-ND2 3.12Å
256	T	97.9	Very high	96.5	Very high	30 Å²	30	61.3 Å²	61.3	18%	0.184	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	174.1	176.3	58.2	0	0	0	0	111.5	R217 P218 R219 V220	R217-T256 HydrophobicContact CG-CG2 4.05Å; P218-T256 PolarHBondContact O-N 3.48Å; R219-T256 CarbonylContact C-O 3.48Å; R219-T256 WeakPolarHBondContact CA-O 3.42Å; V220-T256 PolarHBondContact N-O 2.84Å
257	A	97.1	Very high	96.5	Very high	21 Å²	21	62.7 Å²	62.7	17%	0.174	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151	168.8	0	0	0	0	0	108.9	V220 P260 Y264	V220-A257 HydrophobicContact CB-CB 4.41Å; V220-A257 CarbonylContact O-C 3.41Å; V220-A257 WeakPolarHBondContact O-CA 3.22Å; A257-P260 HydrophobicContact CB-CB 3.89Å; A257-P260 HydrophobicContact CB-CG 4.16Å; A257-Y264 HydrophobicContact CB-CD1 4.33Å; A257-Y264 HydrophobicContact CB-CE1 3.63Å
258	E	93.5	Very high	96.5	Very high	96 Å²	96	61.5 Å²	61.5	45%	0.449	33%	0.333	S	S	.	.	S	Bend	trans	-67.7	-70.3	-178.4	176.3	153.1	-147.2	0	0	112.3	R219 V220 S221	R219-E258 HydrophobicContact CG-CB 4.21Å; R219-E258 IonicContact CZ-OE1 3.97Å; R219-E258 VanDerWaalsContact NH2-CD 3.28Å; R219-E258 IonicContact NH2-OE1 3.2Å; R219-E258 PolarHBondContact NH2-OE1 3.06Å; R219-E258 IonicContact NH2-OE2 2.68Å; V220-E258 PolarHBondContact O-N 2.86Å; S221-E258 WeakPolarHBondContact CB-OE2 3.31Å; S221-E258 PolarHBondContact OG-OE2 3.09Å
259	D	93.4	Very high	96.6	Very high	137 Å²	137	57.7 Å²	57.7	73%	0.733	31%	0.306	S	S	*	.	S	Bend	trans	-136.8	81.9	173.4	-163.9	13.9	0	0	0	109.4	S261	D259-S261 PolarHBondContact O-N 3.22Å
260	P	95	Very high	96.6	Very high	47 Å²	47	55 Å²	55	31%	0.305	29%	0.291	S	S	.	.			trans	-71.5	120.1	-168.9	27.5	-33.5	0	0	0	111.8	A257 Y264 V265	A257-P260 HydrophobicContact CB-CB 3.89Å; A257-P260 HydrophobicContact CB-CG 4.16Å; P260-Y264 HydrophobicContact CB-CD1 3.48Å; P260-Y264 VanDerWaalsContact CB-CD1 3.48Å; P260-Y264 HydrophobicContact CB-CE1 4.1Å; P260-Y264 HydrophobicContact CB-CG 4.33Å; P260-V265 HydrophobicContact CB-CG2 4.01Å; P260-V265 HydrophobicContact CG-CG2 4.28Å
261	S	95.2	Very high	96.7	Very high	70 Å²	70	49.3 Å²	49.3	49%	0.49	25%	0.254	S	S	.	.			trans	-59.4	160.6	170.1	73.6	0	0	0	0	112.3	D259 N263 Y264 V265	D259-S261 PolarHBondContact O-N 3.22Å; S261-N263 PolarHBondContact O-N 3.37Å; S261-Y264 PolarHBondContact O-N 2.91Å; S261-Y264 VanDerWaalsContact O-N 3.1Å; S261-Y264 PolarHBondContact OG-N 3.49Å; S261-V265 WeakPolarHBondContact O-CG2 3.37Å; S261-V265 PolarHBondContact O-N 2.93Å
262	E	94.5	Very high	96.8	Very high	145 Å²	145	42.7 Å²	42.7	68%	0.678	23%	0.226	S	C	*	.	H	α-helix	trans	-56.2	-40	177.3	-64.8	-167	170	0	0	112.4	V265 K266	E262-V265 PolarHBondContact O-N 3.47Å; E262-K266 WeakPolarHBondContact O-CG 3.48Å; E262-K266 PolarHBondContact O-N 3.04Å; E262-K266 IonicContact OE2-NZ 3.38Å
263	N	95.1	Very high	96.8	Very high	118 Å²	118	42.5 Å²	42.5	63%	0.631	23%	0.225	S	C	*	.	H	α-helix	trans	-63.3	-42.8	177.5	-71.5	-20	0	0	0	111.5	S261 K266 L267	S261-N263 PolarHBondContact O-N 3.37Å; N263-K266 PolarHBondContact O-N 3.47Å; N263-L267 WeakPolarHBondContact O-CB 3.21Å; N263-L267 PolarHBondContact O-N 2.85Å
264	Y	97.5	Very high	96.9	Very high	20 Å²	20	42.5 Å²	42.5	8%	0.078	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-40.5	174.1	-178.9	-89	0	0	0	111.9	V220 M223 A257 P260 S261 L267 R268	V220-Y264 HydrophobicContact CG1-CE2 3.92Å; V220-Y264 WeakPolarHBondContact CG2-OH 3.47Å; M223-Y264 HydrophobicContact SD-CD2 3.68Å; M223-Y264 HydrophobicContact SD-CE2 3.68Å; A257-Y264 HydrophobicContact CB-CD1 4.33Å; A257-Y264 HydrophobicContact CB-CE1 3.63Å; P260-Y264 HydrophobicContact CB-CD1 3.48Å; P260-Y264 VanDerWaalsContact CB-CD1 3.48Å; P260-Y264 HydrophobicContact CB-CE1 4.1Å; P260-Y264 HydrophobicContact CB-CG 4.33Å; S261-Y264 PolarHBondContact O-N 2.91Å; S261-Y264 VanDerWaalsContact O-N 3.1Å; S261-Y264 PolarHBondContact OG-N 3.49Å; Y264-L267 PolarHBondContact O-N 3.2Å; Y264-R268 HydrophobicContact CD1-CB 4.48Å; Y264-R268 HydrophobicContact CE1-CB 4.21Å; Y264-R268 VanDerWaalsContact O-CB 3.23Å; Y264-R268 WeakPolarHBondContact O-CB 3.28Å; Y264-R268 PolarHBondContact O-N 3.01Å
265	V	97.5	Very high	96.8	Very high	29 Å²	29	44 Å²	44	18%	0.176	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-46.6	176.5	171.8	0	0	0	0	111.2	P260 S261 E262 R268 D269	P260-V265 HydrophobicContact CB-CG2 4.01Å; P260-V265 HydrophobicContact CG-CG2 4.28Å; S261-V265 WeakPolarHBondContact O-CG2 3.37Å; S261-V265 PolarHBondContact O-N 2.93Å; E262-V265 PolarHBondContact O-N 3.47Å; V265-R268 PolarHBondContact O-N 3.34Å; V265-D269 WeakPolarHBondContact O-CB 3.41Å; V265-D269 PolarHBondContact O-N 3.01Å
266	K	96.6	Very high	96.8	Very high	63 Å²	63	44 Å²	44	27%	0.274	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-46.4	176.6	-72	165.5	-179.8	161.2	0	111.6	E262 N263 D269 Y270 D390	E262-K266 WeakPolarHBondContact O-CG 3.48Å; E262-K266 PolarHBondContact O-N 3.04Å; E262-K266 IonicContact OE2-NZ 3.38Å; N263-K266 PolarHBondContact O-N 3.47Å; K266-D269 PolarHBondContact O-N 3.19Å; K266-Y270 PolarHBondContact O-N 3.18Å; K266-Y270 VanDerWaalsContact O-N 3.12Å; K266-D390 WeakPolarHBondContact CE-OD1 3.39Å
267	L	97.8	Very high	96.6	Very high	29 Å²	29	45.1 Å²	45.1	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-49.8	176.9	176.9	62.9	0	0	0	112	M223 A236 L239 N263 Y264 D269 Y270 V271	M223-L267 HydrophobicContact CE-CD2 3.55Å; M223-L267 HydrophobicContact SD-CD2 3.95Å; A236-L267 HydrophobicContact CB-CD1 3.88Å; L239-L267 HydrophobicContact CD2-CG 4.42Å; N263-L267 WeakPolarHBondContact O-CB 3.21Å; N263-L267 PolarHBondContact O-N 2.85Å; Y264-L267 PolarHBondContact O-N 3.2Å; L267-D269 PolarHBondContact O-N 3.13Å; L267-Y270 WeakPolarHBondContact O-CB 3.39Å; L267-Y270 PolarHBondContact O-N 3.28Å; L267-V271 HydrophobicContact CD1-CG2 4.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.5Å; L267-V271 PolarHBondContact O-N 2.94Å
268	R	98.4	Very high	96.4	Very high	16 Å²	16	50.5 Å²	50.5	6%	0.06	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-48.1	179	179.3	-171.6	68	-149.7	-6.7	110.9	L239 Y264 V265 Y270 V271 L272 H309	L239-R268 HydrophobicContact CD2-CB 4.05Å; L239-R268 HydrophobicContact CD2-CG 4.39Å; Y264-R268 HydrophobicContact CD1-CB 4.48Å; Y264-R268 HydrophobicContact CE1-CB 4.21Å; Y264-R268 VanDerWaalsContact O-CB 3.23Å; Y264-R268 WeakPolarHBondContact O-CB 3.28Å; Y264-R268 PolarHBondContact O-N 3.01Å; V265-R268 PolarHBondContact O-N 3.34Å; R268-Y270 VanDerWaalsContact C-N 3.26Å; R268-Y270 PolarHBondContact O-N 3.22Å; R268-V271 PolarHBondContact O-N 3.34Å; R268-L272 HydrophobicContact CG-CD1 3.59Å; R268-L272 HydrophobicContact CG-CG 3.85Å; R268-L272 WeakPolarHBondContact O-CB 3.47Å; R268-L272 WeakPolarHBondContact O-CG 3.41Å; R268-L272 PolarHBondContact O-N 2.93Å; R268-H309 VanDerWaalsContact CD-CE1 3.5Å; R268-H309 WeakPolarHBondContact CD-CE1 3.35Å; R268-H309 PolarHBondContact NH1-NE2 3.15Å; R268-H309 VanDerWaalsContact NH1-NE2 3.18Å
269	D	98.4	Very high	96.6	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-39.9	-179.4	-75.1	-5.6	0	0	0	111.6	V265 K266 L267 T273 R312 I316 V394	V265-D269 WeakPolarHBondContact O-CB 3.41Å; V265-D269 PolarHBondContact O-N 3.01Å; K266-D269 PolarHBondContact O-N 3.19Å; L267-D269 PolarHBondContact O-N 3.13Å; D269-T273 WeakPolarHBondContact O-CB 3.5Å; D269-T273 PolarHBondContact O-N 3.26Å; D269-T273 PolarHBondContact O-OG1 3.21Å; D269-R312 IonicContact OD1-NE 3.49Å; D269-R312 PolarHBondContact OD1-NE 2.99Å; D269-R312 IonicContact OD2-CZ 2.68Å; D269-R312 IonicContact OD2-NE 3.99Å; D269-R312 PolarHBondContact OD2-NE 2.89Å; D269-R312 IonicContact OD2-NH2 3.58Å; D269-R312 PolarHBondContact OD2-NH2 3.18Å; D269-I316 HydrophobicContact CB-CD1 3.81Å; D269-V394 HydrophobicContact CB-CG2 4.35Å
270	Y	98.1	Very high	96.8	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.027	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-55	171.9	169	-106.5	0	0	0	112.5	A236 K266 L267 R268 L272 T273 K274 V394 R397 L398 Q401	A236-Y270 HydrophobicContact CB-CD1 4.26Å; A236-Y270 HydrophobicContact CB-CE1 4.02Å; K266-Y270 PolarHBondContact O-N 3.18Å; K266-Y270 VanDerWaalsContact O-N 3.12Å; L267-Y270 WeakPolarHBondContact O-CB 3.39Å; L267-Y270 PolarHBondContact O-N 3.28Å; R268-Y270 VanDerWaalsContact C-N 3.26Å; R268-Y270 PolarHBondContact O-N 3.22Å; Y270-L272 PolarHBondContact O-N 3.12Å; Y270-T273 PolarHBondContact O-N 2.93Å; Y270-K274 WeakPolarHBondContact O-CB 3.48Å; Y270-K274 PolarHBondContact O-N 3.31Å; Y270-V394 HydrophobicContact CD2-CG1 4.4Å; Y270-R397 HydrophobicContact CD2-CB 4.09Å; Y270-R397 HydrophobicContact CD2-CG 3.91Å; Y270-R397 HydrophobicContact CE2-CB 3.95Å; Y270-R397 HydrophobicContact CE2-CG 3.48Å; Y270-R397 VanDerWaalsContact CE2-CG 3.48Å; Y270-L398 HydrophobicContact CD2-CD2 4.13Å; Y270-L398 HydrophobicContact CD2-CG 4.17Å; Y270-L398 HydrophobicContact CE2-CD2 3.73Å; Y270-L398 HydrophobicContact CE2-CG 4.02Å; Y270-Q401 PolarHBondContact OH-OE1 3.35Å
271	V	98.2	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-46	-177	172.9	0	0	0	0	111.3	A236 L239 E240 L267 R268 T273 K274 L275	A236-V271 HydrophobicContact CB-CG2 3.82Å; L239-V271 HydrophobicContact CB-CG2 4.39Å; L239-V271 HydrophobicContact CD2-CB 4.1Å; L239-V271 HydrophobicContact CD2-CG1 4.36Å; L239-V271 HydrophobicContact CD2-CG2 4.16Å; L239-V271 HydrophobicContact CG-CB 4.5Å; L239-V271 HydrophobicContact CG-CG1 4.24Å; E240-V271 HydrophobicContact CB-CG1 4.04Å; E240-V271 HydrophobicContact CG-CG1 4.46Å; L267-V271 HydrophobicContact CD1-CG2 4.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.5Å; L267-V271 PolarHBondContact O-N 2.94Å; R268-V271 PolarHBondContact O-N 3.34Å; V271-T273 PolarHBondContact O-N 3.02Å; V271-K274 WeakPolarHBondContact O-CB 3.42Å; V271-K274 PolarHBondContact O-N 3.46Å; V271-L275 HydrophobicContact CG1-CD1 4.1Å; V271-L275 WeakPolarHBondContact O-CG 3.13Å; V271-L275 PolarHBondContact O-N 3.06Å
272	L	98.4	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.2	-35	-178.9	-60.9	-168.4	0	0	0	112	H243 R268 Y270 L275 C276 I305 H309 V313	H243-L272 VanDerWaalsContact CE1-CD2 3.42Å; H243-L272 WeakPolarHBondContact CE1-CD2 3.42Å; H243-L272 WeakPolarHBondContact NE2-CD2 3.43Å; R268-L272 HydrophobicContact CG-CD1 3.59Å; R268-L272 HydrophobicContact CG-CG 3.85Å; R268-L272 WeakPolarHBondContact O-CB 3.47Å; R268-L272 WeakPolarHBondContact O-CG 3.41Å; R268-L272 PolarHBondContact O-N 2.93Å; Y270-L272 PolarHBondContact O-N 3.12Å; L272-L275 HydrophobicContact CD2-CD1 4.44Å; L272-L275 PolarHBondContact O-N 3.28Å; L272-C276 VanDerWaalsContact O-CB 3.31Å; L272-C276 WeakPolarHBondContact O-CB 3.28Å; L272-C276 PolarHBondContact O-N 3.1Å; L272-C276 PolarHBondContact O-SG 3.38Å; L272-C276 VanDerWaalsContact O-SG 3.36Å; L272-I305 HydrophobicContact CB-CD1 4.15Å; L272-I305 HydrophobicContact CD1-CD1 4.4Å; L272-I305 HydrophobicContact CD1-CG1 4.28Å; L272-I305 HydrophobicContact CD1-CG2 4.14Å; L272-I305 HydrophobicContact CD2-CD1 3.87Å; L272-I305 HydrophobicContact CD2-CG1 3.95Å; L272-I305 HydrophobicContact CG-CD1 4.34Å; L272-H309 HydrophobicContact CD1-CB 3.68Å; L272-V313 HydrophobicContact CB-CG2 3.66Å
273	T	98.3	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-43.1	173.5	-56.7	0	0	0	0	110.9	D269 Y270 V271 L275 C276 Q277 I316 L317 V394 L398	D269-T273 WeakPolarHBondContact O-CB 3.5Å; D269-T273 PolarHBondContact O-N 3.26Å; D269-T273 PolarHBondContact O-OG1 3.21Å; Y270-T273 PolarHBondContact O-N 2.93Å; V271-T273 PolarHBondContact O-N 3.02Å; T273-L275 VanDerWaalsContact C-N 3.28Å; T273-L275 PolarHBondContact O-N 3.37Å; T273-C276 PolarHBondContact O-N 2.97Å; T273-Q277 WeakPolarHBondContact O-CB 3.5Å; T273-Q277 PolarHBondContact O-N 3.39Å; T273-I316 HydrophobicContact CG2-CB 4.38Å; T273-I316 HydrophobicContact CG2-CG2 3.8Å; T273-I316 WeakPolarHBondContact OG1-CD1 3.38Å; T273-L317 HydrophobicContact CG2-CD2 3.56Å; T273-L317 HydrophobicContact CG2-CG 3.83Å; T273-V394 HydrophobicContact CG2-CG1 4.4Å; T273-L398 HydrophobicContact CG2-CD1 3.51Å
274	K	97.3	Very high	96.9	Very high	55 Å²	55	31.5 Å²	31.5	24%	0.239	17%	0.171	C	C	.	.	H	α-helix	trans	-55.7	-42.8	174.3	-177.3	-172.5	172.5	-167.8	0	111.9	E240 Y270 V271 Q277 L398	E240-K274 IonicContact OE1-NZ 2.68Å; E240-K274 IonicContact OE2-NZ 3.61Å; E240-K274 PolarHBondContact OE2-NZ 2.85Å; Y270-K274 WeakPolarHBondContact O-CB 3.48Å; Y270-K274 PolarHBondContact O-N 3.31Å; V271-K274 WeakPolarHBondContact O-CB 3.42Å; V271-K274 PolarHBondContact O-N 3.46Å; K274-Q277 WeakPolarHBondContact O-CG 3.44Å; K274-Q277 PolarHBondContact O-NE2 3.03Å; K274-L398 HydrophobicContact CB-CD2 3.74Å; K274-L398 HydrophobicContact CG-CD2 4.22Å
275	L	96.6	Very high	96.7	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.199	19%	0.194	C	C	.	.	H	α-helix	trans	-73.2	-38.2	179.8	-68.5	173.7	0	0	0	112.8	E240 H243 V271 L272 T273 L303	E240-L275 HydrophobicContact CG-CD2 4.03Å; H243-L275 HydrophobicContact CB-CD1 4.22Å; V271-L275 HydrophobicContact CG1-CD1 4.1Å; V271-L275 WeakPolarHBondContact O-CG 3.13Å; V271-L275 PolarHBondContact O-N 3.06Å; L272-L275 HydrophobicContact CD2-CD1 4.44Å; L272-L275 PolarHBondContact O-N 3.28Å; T273-L275 VanDerWaalsContact C-N 3.28Å; T273-L275 PolarHBondContact O-N 3.37Å; L275-L303 HydrophobicContact CB-CD1 3.83Å; L275-L303 HydrophobicContact CB-CD2 4.26Å
276	C	97.5	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-83.7	-21.5	-176.2	-74.2	0	0	0	0	114.8	L272 T273 N278 L279 F282 L303 I305 V313	L272-C276 VanDerWaalsContact O-CB 3.31Å; L272-C276 WeakPolarHBondContact O-CB 3.28Å; L272-C276 PolarHBondContact O-N 3.1Å; L272-C276 PolarHBondContact O-SG 3.38Å; L272-C276 VanDerWaalsContact O-SG 3.36Å; T273-C276 PolarHBondContact O-N 2.97Å; C276-N278 PolarHBondContact O-N 3.07Å; C276-L279 HydrophobicContact CB-CD1 4.26Å; C276-L279 VanDerWaalsContact O-CB 3.29Å; C276-L279 WeakPolarHBondContact O-CB 3.43Å; C276-L279 PolarHBondContact O-N 2.88Å; C276-F282 HydrophobicContact CB-CD2 4.37Å; C276-F282 HydrophobicContact CB-CE2 4.44Å; C276-F282 HydrophobicContact CB-CG 4.46Å; C276-L303 VanDerWaalsContact SG-CD1 3.57Å; C276-I305 WeakPolarHBondContact SG-CD1 3.41Å; C276-V313 HydrophobicContact CB-CG1 3.48Å; C276-V313 VanDerWaalsContact CB-CG1 3.48Å
277	Q	94.9	Very high	96.5	Very high	54 Å²	54	35.1 Å²	35.1	25%	0.252	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.5	-171.4	70.7	-172.8	-35.3	0	0	114.4	T273 K274 L317	T273-Q277 WeakPolarHBondContact O-CB 3.5Å; T273-Q277 PolarHBondContact O-N 3.39Å; K274-Q277 WeakPolarHBondContact O-CG 3.44Å; K274-Q277 PolarHBondContact O-NE2 3.03Å; Q277-L317 HydrophobicContact CB-CD1 4.47Å; Q277-L317 HydrophobicContact CB-CD2 3.93Å
278	N	92.7	Very high	96.2	Very high	134 Å²	134	37.9 Å²	37.9	72%	0.717	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	8.3	178.2	-62	-32.2	0	0	0	113.1	C276	C276-N278 PolarHBondContact O-N 3.07Å
279	L	96.9	Very high	96	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.079	24%	0.237	C	C	.	.	S	Bend	trans	-82.3	132.9	176.8	-71.3	-177.1	0	0	0	110.5	C276 S281 F282 D283 E298 K302 L303	C276-L279 HydrophobicContact CB-CD1 4.26Å; C276-L279 VanDerWaalsContact O-CB 3.29Å; C276-L279 WeakPolarHBondContact O-CB 3.43Å; C276-L279 PolarHBondContact O-N 2.88Å; L279-S281 PolarHBondContact O-N 3.43Å; L279-S281 VanDerWaalsContact O-N 3.11Å; L279-F282 HydrophobicContact CB-CB 4.5Å; L279-F282 HydrophobicContact CB-CD2 3.82Å; L279-F282 HydrophobicContact CD1-CD2 4.05Å; L279-F282 HydrophobicContact CD1-CE2 4.1Å; L279-F282 WeakPolarHBondContact O-CA 3.39Å; L279-F282 PolarHBondContact O-N 3.36Å; L279-D283 PolarHBondContact O-N 3.43Å; L279-E298 HydrophobicContact CD1-CG 4.15Å; L279-E298 HydrophobicContact CD2-CG 4.17Å; L279-K302 HydrophobicContact CD2-CD 3.63Å; L279-L303 HydrophobicContact CD1-CD1 3.69Å; L279-L303 HydrophobicContact CD1-CG 4.47Å; L279-L303 HydrophobicContact CG-CD1 4.34Å
280	P	97.6	Very high	95.8	Very high	59 Å²	59	45 Å²	45	38%	0.383	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-52	-36.7	178.7	-30.5	32.6	0	0	0	114.9	F282 D283 K286 E298	P280-F282 PolarHBondContact O-N 2.82Å; P280-D283 WeakPolarHBondContact CA-OD2 3.47Å; P280-D283 PolarHBondContact O-N 3.46Å; P280-D283 VanDerWaalsContact O-OD2 3.14Å; P280-K286 VanDerWaalsContact O-CD 3.29Å; P280-K286 WeakPolarHBondContact O-CD 3.41Å; P280-K286 WeakPolarHBondContact O-CE 3.33Å; P280-K286 PolarHBondContact O-NZ 2.73Å; P280-E298 WeakPolarHBondContact CD-OE1 3.48Å
281	S	97.3	Very high	95.8	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.042	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-69.7	-14.5	178.5	60.1	0	0	0	0	113.7	L279 M295 E298	L279-S281 PolarHBondContact O-N 3.43Å; L279-S281 VanDerWaalsContact O-N 3.11Å; S281-M295 WeakPolarHBondContact O-CE 3.47Å; S281-M295 VanDerWaalsContact O-CG 3.26Å; S281-M295 WeakPolarHBondContact O-CG 3.48Å; S281-M295 WeakPolarHBondContact OG-CA 3.32Å; S281-E298 WeakPolarHBondContact CA-OE2 3.14Å; S281-E298 WeakPolarHBondContact CB-OE2 3.22Å; S281-E298 PolarHBondContact N-OE2 2.99Å; S281-E298 PolarHBondContact OG-OE2 3.3Å
282	F	97.5	Very high	95.8	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.018	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-106.8	9.5	179.5	-69.7	-92.3	0	0	0	113.4	C276 L279 P280 L287 M295 A299 V313 L317	C276-F282 HydrophobicContact CB-CD2 4.37Å; C276-F282 HydrophobicContact CB-CE2 4.44Å; C276-F282 HydrophobicContact CB-CG 4.46Å; L279-F282 HydrophobicContact CB-CB 4.5Å; L279-F282 HydrophobicContact CB-CD2 3.82Å; L279-F282 HydrophobicContact CD1-CD2 4.05Å; L279-F282 HydrophobicContact CD1-CE2 4.1Å; L279-F282 WeakPolarHBondContact O-CA 3.39Å; L279-F282 PolarHBondContact O-N 3.36Å; P280-F282 PolarHBondContact O-N 2.82Å; F282-L287 HydrophobicContact CD1-CD2 4.47Å; F282-L287 WeakPolarHBondContact O-CG 3.42Å; F282-M295 HydrophobicContact CD1-CG 4.29Å; F282-M295 HydrophobicContact CD2-CG 4.32Å; F282-M295 HydrophobicContact CE1-CB 4.16Å; F282-M295 HydrophobicContact CE1-CG 4.1Å; F282-M295 HydrophobicContact CE1-SD 4.38Å; F282-M295 HydrophobicContact CE2-CB 3.92Å; F282-M295 HydrophobicContact CE2-CG 4.12Å; F282-M295 HydrophobicContact CG-CG 4.42Å; F282-M295 HydrophobicContact CZ-CB 3.69Å; F282-M295 HydrophobicContact CZ-CG 4.02Å; F282-A299 HydrophobicContact CE2-CB 4.11Å; F282-A299 HydrophobicContact CZ-CB 4.25Å; F282-V313 HydrophobicContact CD1-CG1 4.17Å; F282-V313 HydrophobicContact CE1-CB 4.39Å; F282-V313 HydrophobicContact CE1-CG1 3.82Å; F282-V313 HydrophobicContact CZ-CG1 4.43Å; F282-L317 HydrophobicContact CB-CD1 3.92Å; F282-L317 HydrophobicContact CD1-CD1 3.8Å; F282-L317 HydrophobicContact CG-CD1 4.19Å
283	D	95.6	Very high	95.7	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.364	30%	0.296	S	S	.	.	S	Bend	trans	-57.6	150.1	173.5	-71.7	-29.3	0	0	0	112	L279 P280 D285 K286 L287	L279-D283 PolarHBondContact O-N 3.43Å; P280-D283 WeakPolarHBondContact CA-OD2 3.47Å; P280-D283 PolarHBondContact O-N 3.46Å; P280-D283 VanDerWaalsContact O-OD2 3.14Å; D283-D285 VanDerWaalsContact C-N 3.26Å; D283-D285 WeakPolarHBondContact CB-OD1 3.42Å; D283-D285 PolarHBondContact O-N 3.45Å; D283-D285 VanDerWaalsContact O-N 3.17Å; D283-K286 PolarHBondContact O-N 3.43Å; D283-L287 WeakPolarHBondContact O-CG 3.32Å; D283-L287 PolarHBondContact O-N 3.4Å; D283-L287 VanDerWaalsContact O-N 3.08Å
284	A	92.2	Very high	95.7	Very high	62 Å²	62	56.3 Å²	56.3	51%	0.512	32%	0.317	S	S	.	.	H	α-helix	trans	-56.4	-36	-172.2	0	0	0	0	0	114	K286 L287 H288	A284-K286 VanDerWaalsContact C-N 3.31Å; A284-K286 PolarHBondContact O-N 3.02Å; A284-L287 PolarHBondContact O-N 3.27Å; A284-H288 PolarHBondContact O-CD2 3.23Å; A284-H288 VanDerWaalsContact O-CD2 3.28Å
285	D	93.2	Very high	95.7	Very high	107 Å²	107	53.7 Å²	53.7	57%	0.572	31%	0.306	S	S	*	.	H	α-helix	trans	-65.5	-32.7	176.8	65.6	-41.8	0	0	0	112.5	D283	D283-D285 VanDerWaalsContact C-N 3.26Å; D283-D285 WeakPolarHBondContact CB-OD1 3.42Å; D283-D285 PolarHBondContact O-N 3.45Å; D283-D285 VanDerWaalsContact O-N 3.17Å
286	K	95.4	Very high	95.8	Very high	75 Å²	75	53.6 Å²	53.6	33%	0.326	31%	0.305	S	S	.	.	H	α-helix	trans	-84.2	-28.9	178.8	-63.9	-179.9	-167	158.8	0	113	P280 D283 A284 H288 L289 M295	P280-K286 VanDerWaalsContact O-CD 3.29Å; P280-K286 WeakPolarHBondContact O-CD 3.41Å; P280-K286 WeakPolarHBondContact O-CE 3.33Å; P280-K286 PolarHBondContact O-NZ 2.73Å; D283-K286 PolarHBondContact O-N 3.43Å; A284-K286 VanDerWaalsContact C-N 3.31Å; A284-K286 PolarHBondContact O-N 3.02Å; K286-H288 PolarHBondContact O-N 2.67Å; K286-L289 WeakPolarHBondContact O-CB 3.31Å; K286-L289 PolarHBondContact O-N 3.36Å; K286-L289 VanDerWaalsContact O-N 3.09Å; K286-M295 HydrophobicContact CB-CE 4.45Å
287	L	95	Very high	95.8	Very high	7 Å²	7	60 Å²	60	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-57.6	-39.6	178.7	-66.7	173.4	0	0	0	111.4	F282 D283 A284 L289 G290 M295 Y314 L317 R318 A321	F282-L287 HydrophobicContact CD1-CD2 4.47Å; F282-L287 WeakPolarHBondContact O-CG 3.42Å; D283-L287 WeakPolarHBondContact O-CG 3.32Å; D283-L287 PolarHBondContact O-N 3.4Å; D283-L287 VanDerWaalsContact O-N 3.08Å; A284-L287 PolarHBondContact O-N 3.27Å; L287-L289 VanDerWaalsContact C-N 3.25Å; L287-L289 PolarHBondContact O-N 2.94Å; L287-G290 PolarHBondContact O-N 3.23Å; L287-M295 HydrophobicContact CD2-CE 4.11Å; L287-Y314 HydrophobicContact CD2-CD2 3.92Å; L287-Y314 HydrophobicContact CD2-CE2 4.33Å; L287-Y314 WeakPolarHBondContact O-CE2 3.3Å; L287-Y314 PolarHBondContact O-OH 2.68Å; L287-L317 HydrophobicContact CD1-CB 3.74Å; L287-L317 WeakPolarHBondContact CD1-O 3.49Å; L287-L317 HydrophobicContact CD2-CB 3.9Å; L287-R318 WeakPolarHBondContact O-CD 3.4Å; L287-R318 PolarHBondContact O-NH1 2.84Å; L287-A321 HydrophobicContact CD1-CB 3.93Å
288	H	91.3	Very high	96	Very high	87 Å²	87	58.7 Å²	58.7	40%	0.403	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.5	-180	-68.6	-64.2	0	0	0	114.1	A284 K286 G290 R318 A321	A284-H288 PolarHBondContact O-CD2 3.23Å; A284-H288 VanDerWaalsContact O-CD2 3.28Å; K286-H288 PolarHBondContact O-N 2.67Å; H288-G290 PolarHBondContact O-N 3.41Å; H288-R318 PolarHBondContact O-NH1 3.31Å; H288-R318 VanDerWaalsContact O-NH1 3.16Å; H288-A321 PolarHBondContact CE1-O 3.12Å; H288-A321 PolarHBondContact NE2-O 3.45Å
289	L	93.8	Very high	96.3	Very high	151 Å²	151	52.3 Å²	52.3	79%	0.791	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.7	-178.7	-56.4	178.3	0	0	0	113.7	K286 L287	K286-L289 WeakPolarHBondContact O-CB 3.31Å; K286-L289 PolarHBondContact O-N 3.36Å; K286-L289 VanDerWaalsContact O-N 3.09Å; L287-L289 VanDerWaalsContact C-N 3.25Å; L287-L289 PolarHBondContact O-N 2.94Å
290	G	94.9	Very high	96.3	Very high	17 Å²	17	54.3 Å²	54.3	18%	0.175	30%	0.298	C	S	.	.			trans	102.4	167.9	-179.6	0	0	0	0	0	113.6	L287 H288 S292 Y314	L287-G290 PolarHBondContact O-N 3.23Å; H288-G290 PolarHBondContact O-N 3.41Å; G290-S292 PolarHBondContact O-N 3Å; G290-Y314 VanDerWaalsContact CA-OH 3.28Å; G290-Y314 WeakPolarHBondContact CA-OH 3.34Å
291	F	97.5	Very high	96.2	Very high	44 Å²	44	57.6 Å²	57.6	19%	0.193	31%	0.308	C	S	.	.	S	Bend	trans	-66.1	119.9	177	-174.5	-120.7	0	0	0	111.9	M295 I296 A310 R311 Y314	F291-M295 HydrophobicContact CD2-CB 4.37Å; F291-M295 HydrophobicContact CD2-SD 3.83Å; F291-M295 HydrophobicContact CE2-CB 4.11Å; F291-M295 HydrophobicContact CE2-SD 4.42Å; F291-I296 HydrophobicContact CE1-CD1 3.75Å; F291-I296 HydrophobicContact CE1-CG1 3.77Å; F291-I296 HydrophobicContact CE2-CG1 4.25Å; F291-I296 HydrophobicContact CZ-CD1 3.98Å; F291-I296 HydrophobicContact CZ-CG1 3.44Å; F291-I296 VanDerWaalsContact CZ-CG1 3.44Å; F291-A310 HydrophobicContact CE2-CB 4.38Å; F291-A310 HydrophobicContact CZ-CB 4.32Å; F291-R311 HydrophobicContact CE1-CB 3.93Å; F291-R311 HydrophobicContact CE1-CG 4.45Å; F291-R311 HydrophobicContact CE2-CB 4.17Å; F291-R311 HydrophobicContact CZ-CB 3.74Å; F291-Y314 HydrophobicContact CB-CD1 3.77Å; F291-Y314 HydrophobicContact CB-CD2 4.4Å; F291-Y314 HydrophobicContact CB-CE1 3.85Å; F291-Y314 HydrophobicContact CB-CE2 4.46Å; F291-Y314 HydrophobicContact CB-CG 4.07Å; F291-Y314 AromaticContact CD2-CD1 3.97Å; F291-Y314 HydrophobicContact CD2-CD1 3.97Å; F291-Y314 HydrophobicContact CD2-CD2 4.25Å; F291-Y314 AromaticContact CD2-CG 3.64Å; F291-Y314 HydrophobicContact CD2-CG 3.64Å; F291-Y314 HydrophobicContact CG-CD1 4.21Å; F291-Y314 HydrophobicContact CG-CG 4.29Å
292	S	97.4	Very high	96.2	Very high	40 Å²	40	62.5 Å²	62.5	28%	0.28	33%	0.329	S	S	.	.			trans	-109.6	164.5	-170.9	76	0	0	0	0	114	G290 D294 M295	G290-S292 PolarHBondContact O-N 3Å; S292-D294 VanDerWaalsContact C-N 3.27Å; S292-D294 PolarHBondContact OG-N 3.3Å; S292-M295 WeakPolarHBondContact OG-CG 3.41Å; S292-M295 PolarHBondContact OG-N 3.14Å
293	A	97.6	Very high	96.2	Very high	77 Å²	77	63.5 Å²	63.5	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-67.3	-29.3	171.9	0	0	0	0	0	112.3	I296 R297	A293-I296 PolarHBondContact O-N 2.94Å; A293-R297 WeakPolarHBondContact O-CB 3.44Å; A293-R297 PolarHBondContact O-N 3.27Å
294	D	97.6	Very high	96.3	Very high	83 Å²	83	61.2 Å²	61.2	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-66	-41	177.2	-69	-36.5	0	0	0	111.8	S292 I296 R297 E298	S292-D294 VanDerWaalsContact C-N 3.27Å; S292-D294 PolarHBondContact OG-N 3.3Å; D294-I296 VanDerWaalsContact C-N 3.28Å; D294-I296 PolarHBondContact O-N 3.48Å; D294-R297 PolarHBondContact O-N 3.49Å; D294-R297 IonicContact OD1-CZ 3.64Å; D294-R297 IonicContact OD1-NE 3.34Å; D294-R297 IonicContact OD1-NH2 3.49Å; D294-R297 PolarHBondContact OD1-NH2 3.44Å; D294-E298 VanDerWaalsContact O-CB 3.3Å; D294-E298 WeakPolarHBondContact O-CB 3.39Å; D294-E298 PolarHBondContact O-N 3.34Å
295	M	98.4	Very high	96.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.3	-41.5	173.1	-71.9	168.8	-177.3	0	0	111.7	S281 F282 K286 L287 F291 S292 A299 Y314	S281-M295 WeakPolarHBondContact O-CE 3.47Å; S281-M295 VanDerWaalsContact O-CG 3.26Å; S281-M295 WeakPolarHBondContact O-CG 3.48Å; S281-M295 WeakPolarHBondContact OG-CA 3.32Å; F282-M295 HydrophobicContact CD1-CG 4.29Å; F282-M295 HydrophobicContact CD2-CG 4.32Å; F282-M295 HydrophobicContact CE1-CB 4.16Å; F282-M295 HydrophobicContact CE1-CG 4.1Å; F282-M295 HydrophobicContact CE1-SD 4.38Å; F282-M295 HydrophobicContact CE2-CB 3.92Å; F282-M295 HydrophobicContact CE2-CG 4.12Å; F282-M295 HydrophobicContact CG-CG 4.42Å; F282-M295 HydrophobicContact CZ-CB 3.69Å; F282-M295 HydrophobicContact CZ-CG 4.02Å; K286-M295 HydrophobicContact CB-CE 4.45Å; L287-M295 HydrophobicContact CD2-CE 4.11Å; F291-M295 HydrophobicContact CD2-CB 4.37Å; F291-M295 HydrophobicContact CD2-SD 3.83Å; F291-M295 HydrophobicContact CE2-CB 4.11Å; F291-M295 HydrophobicContact CE2-SD 4.42Å; S292-M295 WeakPolarHBondContact OG-CG 3.41Å; S292-M295 PolarHBondContact OG-N 3.14Å; M295-A299 WeakPolarHBondContact O-CB 3.36Å; M295-A299 PolarHBondContact O-N 3.5Å; M295-A299 VanDerWaalsContact O-N 3.12Å; M295-Y314 HydrophobicContact CE-CD2 3.73Å; M295-Y314 HydrophobicContact CE-CE2 4.13Å; M295-Y314 HydrophobicContact SD-CD2 3.54Å; M295-Y314 VanDerWaalsContact SD-CD2 3.54Å; M295-Y314 HydrophobicContact SD-CE2 4.3Å; M295-Y314 HydrophobicContact SD-CG 4.18Å
296	I	98.2	Very high	96.7	Very high	35 Å²	35	54 Å²	54	18%	0.179	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-51.1	178.3	-60.2	167.2	0	0	0	110.2	F291 A293 D294 Q300 K307	F291-I296 HydrophobicContact CE1-CD1 3.75Å; F291-I296 HydrophobicContact CE1-CG1 3.77Å; F291-I296 HydrophobicContact CE2-CG1 4.25Å; F291-I296 HydrophobicContact CZ-CD1 3.98Å; F291-I296 HydrophobicContact CZ-CG1 3.44Å; F291-I296 VanDerWaalsContact CZ-CG1 3.44Å; A293-I296 PolarHBondContact O-N 2.94Å; D294-I296 VanDerWaalsContact C-N 3.28Å; D294-I296 PolarHBondContact O-N 3.48Å; I296-Q300 VanDerWaalsContact O-CB 3.28Å; I296-Q300 WeakPolarHBondContact O-CB 3.4Å; I296-Q300 PolarHBondContact O-N 3.05Å; I296-K307 HydrophobicContact CD1-CD 3.93Å; I296-K307 HydrophobicContact CD1-CG 3.88Å; I296-K307 HydrophobicContact CG1-CG 4.14Å; I296-K307 HydrophobicContact CG2-CB 4.09Å; I296-K307 HydrophobicContact CG2-CG 4.3Å
297	R	98	Very high	96.8	Very high	135 Å²	135	56.7 Å²	56.7	51%	0.509	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-50.8	-177.2	179.2	179	56.9	-175.3	-2.6	110.9	A293 D294 Q300 E301	A293-R297 WeakPolarHBondContact O-CB 3.44Å; A293-R297 PolarHBondContact O-N 3.27Å; D294-R297 PolarHBondContact O-N 3.49Å; D294-R297 IonicContact OD1-CZ 3.64Å; D294-R297 IonicContact OD1-NE 3.34Å; D294-R297 IonicContact OD1-NH2 3.49Å; D294-R297 PolarHBondContact OD1-NH2 3.44Å; R297-Q300 PolarHBondContact O-N 2.82Å; R297-E301 HydrophobicContact CG-CG 4.22Å; R297-E301 WeakPolarHBondContact CG-OE1 3.43Å; R297-E301 WeakPolarHBondContact O-CB 3.23Å; R297-E301 VanDerWaalsContact O-CG 3.3Å; R297-E301 WeakPolarHBondContact O-CG 3.35Å; R297-E301 PolarHBondContact O-N 3.08Å
298	E	98.1	Very high	96.8	Very high	27 Å²	27	64.5 Å²	64.5	13%	0.126	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-43.4	-176.3	-170.9	171.6	-142.3	0	0	112	L279 P280 S281 D294 Q300 E301 K302	L279-E298 HydrophobicContact CD1-CG 4.15Å; L279-E298 HydrophobicContact CD2-CG 4.17Å; P280-E298 WeakPolarHBondContact CD-OE1 3.48Å; S281-E298 WeakPolarHBondContact CA-OE2 3.14Å; S281-E298 WeakPolarHBondContact CB-OE2 3.22Å; S281-E298 PolarHBondContact N-OE2 2.99Å; S281-E298 PolarHBondContact OG-OE2 3.3Å; D294-E298 VanDerWaalsContact O-CB 3.3Å; D294-E298 WeakPolarHBondContact O-CB 3.39Å; D294-E298 PolarHBondContact O-N 3.34Å; E298-Q300 VanDerWaalsContact C-N 3.33Å; E298-Q300 PolarHBondContact O-N 3.22Å; E298-E301 PolarHBondContact O-N 3.01Å; E298-K302 HydrophobicContact CG-CD 3.71Å; E298-K302 HydrophobicContact CG-CG 4.27Å; E298-K302 WeakPolarHBondContact O-CB 3.49Å; E298-K302 PolarHBondContact O-N 3Å; E298-K302 WeakPolarHBondContact OE1-CE 3.35Å; E298-K302 IonicContact OE1-NZ 3.39Å; E298-K302 PolarHBondContact OE1-NZ 3.22Å
299	A	98.1	Very high	97.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-37.2	176.5	0	0	0	0	0	112.2	F282 M295 L303 K304 I305 A310	F282-A299 HydrophobicContact CE2-CB 4.11Å; F282-A299 HydrophobicContact CZ-CB 4.25Å; M295-A299 WeakPolarHBondContact O-CB 3.36Å; M295-A299 PolarHBondContact O-N 3.5Å; M295-A299 VanDerWaalsContact O-N 3.12Å; A299-L303 CarbonylContact O-C 3.59Å; A299-L303 WeakPolarHBondContact O-CA 3.5Å; A299-L303 WeakPolarHBondContact O-CB 3.42Å; A299-L303 PolarHBondContact O-N 3.33Å; A299-L303 VanDerWaalsContact O-N 3.11Å; A299-K304 PolarHBondContact O-N 3.49Å; A299-I305 HydrophobicContact CB-CB 4.03Å; A299-I305 HydrophobicContact CB-CG2 4.33Å; A299-I305 PolarHBondContact O-N 3.17Å; A299-A310 HydrophobicContact CB-CB 4.04Å
300	Q	97.2	Very high	97.4	Very high	57 Å²	57	54 Å²	54	27%	0.266	27%	0.266	S	S	.	.	H	α-helix	trans	-70.6	-48.8	176.2	-175	175.5	43.7	0	0	111.8	Q253 D254 I296 R297 E298 K304 I305	Q253-Q300 WeakPolarHBondContact O-CG 3.39Å; D254-Q300 PolarHBondContact OD2-NE2 2.92Å; I296-Q300 VanDerWaalsContact O-CB 3.28Å; I296-Q300 WeakPolarHBondContact O-CB 3.4Å; I296-Q300 PolarHBondContact O-N 3.05Å; R297-Q300 PolarHBondContact O-N 2.82Å; E298-Q300 VanDerWaalsContact C-N 3.33Å; E298-Q300 PolarHBondContact O-N 3.22Å; Q300-K304 VanDerWaalsContact O-CA 3.22Å; Q300-K304 WeakPolarHBondContact O-CA 3.44Å; Q300-K304 PolarHBondContact O-N 2.88Å; Q300-I305 WeakPolarHBondContact CA-O 3.3Å
301	E	95.8	Very high	97.5	Very high	128 Å²	128	55.4 Å²	55.4	60%	0.598	27%	0.266	S	S	*	.	H	α-helix	trans	-67.6	-44.6	-175.2	-73.9	173.9	178.2	0	0	112.1	R297 E298	R297-E301 HydrophobicContact CG-CG 4.22Å; R297-E301 WeakPolarHBondContact CG-OE1 3.43Å; R297-E301 WeakPolarHBondContact O-CB 3.23Å; R297-E301 VanDerWaalsContact O-CG 3.3Å; R297-E301 WeakPolarHBondContact O-CG 3.35Å; R297-E301 PolarHBondContact O-N 3.08Å; E298-E301 PolarHBondContact O-N 3.01Å
302	K	96.6	Very high	97.5	Very high	108 Å²	108	55 Å²	55	47%	0.47	26%	0.263	S	S	.	.	H	α-helix	trans	-87.6	-32.8	-174.9	-65.5	-174.6	175.9	175.9	0	113.9	L279 E298	L279-K302 HydrophobicContact CD2-CD 3.63Å; E298-K302 HydrophobicContact CG-CD 3.71Å; E298-K302 HydrophobicContact CG-CG 4.27Å; E298-K302 WeakPolarHBondContact O-CB 3.49Å; E298-K302 PolarHBondContact O-N 3Å; E298-K302 WeakPolarHBondContact OE1-CE 3.35Å; E298-K302 IonicContact OE1-NZ 3.39Å; E298-K302 PolarHBondContact OE1-NZ 3.22Å
303	L	97.4	Very high	97.6	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.136	25%	0.25	C	S	.	.	H	α-helix	trans	-125.4	1.2	-168.3	-59.4	175.2	0	0	0	114	H243 C247 L275 C276 L279 A299 I305	H243-L303 PolarHBondContact ND1-O 3.47Å; H243-L303 VanDerWaalsContact ND1-O 3.09Å; C247-L303 WeakPolarHBondContact SG-CA 3.27Å; L275-L303 HydrophobicContact CB-CD1 3.83Å; L275-L303 HydrophobicContact CB-CD2 4.26Å; C276-L303 VanDerWaalsContact SG-CD1 3.57Å; L279-L303 HydrophobicContact CD1-CD1 3.69Å; L279-L303 HydrophobicContact CD1-CG 4.47Å; L279-L303 HydrophobicContact CG-CD1 4.34Å; A299-L303 CarbonylContact O-C 3.59Å; A299-L303 WeakPolarHBondContact O-CA 3.5Å; A299-L303 WeakPolarHBondContact O-CB 3.42Å; A299-L303 PolarHBondContact O-N 3.33Å; A299-L303 VanDerWaalsContact O-N 3.11Å; L303-I305 HydrophobicContact CB-CD1 3.59Å; L303-I305 HydrophobicContact CB-CG1 3.75Å; L303-I305 HydrophobicContact CD1-CD1 3.8Å; L303-I305 HydrophobicContact CG-CD1 4.38Å; L303-I305 PolarHBondContact O-N 3.2Å
304	K	97.9	Very high	97.6	Very high	20 Å²	20	49.5 Å²	49.5	9%	0.087	22%	0.22	C	C	.	.			trans	55.2	33.4	-176.3	-50.7	-57.1	-173.6	173.8	0	112.5	C247 L249 V252 D254 I255 A299 Q300	C247-K304 HydrophobicContact CB-CG 4.42Å; L249-K304 PolarHBondContact O-NZ 3.12Å; V252-K304 HydrophobicContact CB-CD 4.43Å; V252-K304 HydrophobicContact CG1-CB 4.31Å; V252-K304 HydrophobicContact CG1-CD 4.17Å; V252-K304 HydrophobicContact CG1-CG 4.1Å; V252-K304 WeakPolarHBondContact O-CD 3.34Å; V252-K304 WeakPolarHBondContact O-CE 3.45Å; V252-K304 PolarHBondContact O-NZ 3.39Å; D254-K304 CarbonylContact C-O 3.44Å; D254-K304 WeakPolarHBondContact CA-O 3.16Å; D254-K304 WeakPolarHBondContact CB-O 3.3Å; I255-K304 HydrophobicContact CD1-CB 4.43Å; I255-K304 HydrophobicContact CG1-CB 4.2Å; I255-K304 PolarHBondContact N-O 2.95Å; A299-K304 PolarHBondContact O-N 3.49Å; Q300-K304 VanDerWaalsContact O-CA 3.22Å; Q300-K304 WeakPolarHBondContact O-CA 3.44Å; Q300-K304 PolarHBondContact O-N 2.88Å
305	I	98.2	Very high	97.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-90.2	126.6	-179.5	-64.7	172.7	0	0	0	109.7	L272 C276 A299 Q300 L303 H309 A310	L272-I305 HydrophobicContact CB-CD1 4.15Å; L272-I305 HydrophobicContact CD1-CD1 4.4Å; L272-I305 HydrophobicContact CD1-CG1 4.28Å; L272-I305 HydrophobicContact CD1-CG2 4.14Å; L272-I305 HydrophobicContact CD2-CD1 3.87Å; L272-I305 HydrophobicContact CD2-CG1 3.95Å; L272-I305 HydrophobicContact CG-CD1 4.34Å; C276-I305 WeakPolarHBondContact SG-CD1 3.41Å; A299-I305 HydrophobicContact CB-CB 4.03Å; A299-I305 HydrophobicContact CB-CG2 4.33Å; A299-I305 PolarHBondContact O-N 3.17Å; Q300-I305 WeakPolarHBondContact CA-O 3.3Å; L303-I305 HydrophobicContact CB-CD1 3.59Å; L303-I305 HydrophobicContact CB-CG1 3.75Å; L303-I305 HydrophobicContact CD1-CD1 3.8Å; L303-I305 HydrophobicContact CG-CD1 4.38Å; L303-I305 PolarHBondContact O-N 3.2Å; I305-H309 HydrophobicContact CG2-CB 3.59Å; I305-A310 HydrophobicContact CG2-CB 4.09Å
306	N	96.3	Very high	97.7	Very high	16 Å²	16	45.6 Å²	45.6	9%	0.086	20%	0.199	C	C	.	.			trans	-72.7	160.6	176.9	75.1	64.1	0	0	0	112.4	D254 I255 K308 H309 A310	D254-N306 HydrophobicContact CB-CB 3.92Å; I255-N306 PolarHBondContact O-ND2 3Å; I255-N306 VanDerWaalsContact O-ND2 3.12Å; N306-K308 VanDerWaalsContact C-N 3.29Å; N306-K308 PolarHBondContact O-N 2.92Å; N306-K308 WeakPolarHBondContact OD1-CA 3.33Å; N306-K308 WeakPolarHBondContact OD1-CB 3.37Å; N306-K308 PolarHBondContact OD1-N 2.95Å; N306-H309 PolarHBondContact ND2-CD2 3.43Å; N306-H309 PolarHBondContact ND2-CE1 3.29Å; N306-H309 VanDerWaalsContact ND2-CG 3.34Å; N306-H309 PolarHBondContact ND2-ND1 3.5Å; N306-H309 PolarHBondContact ND2-NE2 3.36Å; N306-H309 VanDerWaalsContact ND2-NE2 3.18Å; N306-H309 PolarHBondContact O-N 2.83Å; N306-H309 VanDerWaalsContact O-N 3.08Å; N306-H309 PolarHBondContact OD1-N 3.42Å; N306-A310 PolarHBondContact O-N 3.36Å
307	K	97	Very high	97.6	Very high	133 Å²	133	44.4 Å²	44.4	58%	0.578	19%	0.193	S	C	*	.	H	α-helix	trans	-53	-39	-178	178	176.2	180	175.6	0	114.6	I296 R311	I296-K307 HydrophobicContact CD1-CD 3.93Å; I296-K307 HydrophobicContact CD1-CG 3.88Å; I296-K307 HydrophobicContact CG1-CG 4.14Å; I296-K307 HydrophobicContact CG2-CB 4.09Å; I296-K307 HydrophobicContact CG2-CG 4.3Å; K307-R311 WeakPolarHBondContact O-CB 3.3Å; K307-R311 PolarHBondContact O-N 3.24Å
308	K	96.1	Very high	97.6	Very high	171 Å²	171	39 Å²	39	74%	0.743	17%	0.172	S	C	*	.	H	α-helix	trans	-68.8	-40.5	-178.8	-65.1	-178.4	-178.9	176.3	0	110.6	N306 R311 R312	N306-K308 VanDerWaalsContact C-N 3.29Å; N306-K308 PolarHBondContact O-N 2.92Å; N306-K308 WeakPolarHBondContact OD1-CA 3.33Å; N306-K308 WeakPolarHBondContact OD1-CB 3.37Å; N306-K308 PolarHBondContact OD1-N 2.95Å; K308-R311 PolarHBondContact O-N 3.01Å; K308-R312 PolarHBondContact O-N 3.09Å
309	H	97.9	Very high	97.6	Very high	18 Å²	18	38.1 Å²	38.1	8%	0.083	17%	0.169	C	C	.	.	H	α-helix	trans	-69.2	-45.6	177.1	-63.3	177.1	0	0	0	111.1	R268 L272 I305 N306 R311 R312 V313	R268-H309 VanDerWaalsContact CD-CE1 3.5Å; R268-H309 WeakPolarHBondContact CD-CE1 3.35Å; R268-H309 PolarHBondContact NH1-NE2 3.15Å; R268-H309 VanDerWaalsContact NH1-NE2 3.18Å; L272-H309 HydrophobicContact CD1-CB 3.68Å; I305-H309 HydrophobicContact CG2-CB 3.59Å; N306-H309 PolarHBondContact ND2-CD2 3.43Å; N306-H309 PolarHBondContact ND2-CE1 3.29Å; N306-H309 VanDerWaalsContact ND2-CG 3.34Å; N306-H309 PolarHBondContact ND2-ND1 3.5Å; N306-H309 PolarHBondContact ND2-NE2 3.36Å; N306-H309 VanDerWaalsContact ND2-NE2 3.18Å; N306-H309 PolarHBondContact O-N 2.83Å; N306-H309 VanDerWaalsContact O-N 3.08Å; N306-H309 PolarHBondContact OD1-N 3.42Å; H309-R311 PolarHBondContact O-N 3.42Å; H309-R312 PolarHBondContact O-N 3.33Å; H309-V313 WeakPolarHBondContact O-CG2 3.47Å; H309-V313 PolarHBondContact O-N 2.88Å
310	A	98.3	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-36	175.3	0	0	0	0	0	112.3	F291 A299 I305 N306 Y314	F291-A310 HydrophobicContact CE2-CB 4.38Å; F291-A310 HydrophobicContact CZ-CB 4.32Å; A299-A310 HydrophobicContact CB-CB 4.04Å; I305-A310 HydrophobicContact CG2-CB 4.09Å; N306-A310 PolarHBondContact O-N 3.36Å; A310-Y314 WeakPolarHBondContact O-CB 3.45Å; A310-Y314 PolarHBondContact O-N 2.99Å
311	R	98.1	Very high	97.4	Very high	45 Å²	45	42.8 Å²	42.8	17%	0.17	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-40.1	174.4	174.7	59.6	-177.1	-138.4	2.5	112.9	F291 K307 K308 H309 E315 E336	F291-R311 HydrophobicContact CE1-CB 3.93Å; F291-R311 HydrophobicContact CE1-CG 4.45Å; F291-R311 HydrophobicContact CE2-CB 4.17Å; F291-R311 HydrophobicContact CZ-CB 3.74Å; K307-R311 WeakPolarHBondContact O-CB 3.3Å; K307-R311 PolarHBondContact O-N 3.24Å; K308-R311 PolarHBondContact O-N 3.01Å; H309-R311 PolarHBondContact O-N 3.42Å; R311-E315 IonicContact CZ-OE1 2.69Å; R311-E315 IonicContact NE-OE1 3.69Å; R311-E315 PolarHBondContact NE-OE1 3.42Å; R311-E315 IonicContact NH2-OE1 3.88Å; R311-E315 PolarHBondContact NH2-OE1 2.91Å; R311-E315 WeakPolarHBondContact O-CG 3.05Å; R311-E315 PolarHBondContact O-N 3.09Å; R311-E315 VanDerWaalsContact O-N 3.15Å; R311-E336 IonicContact CZ-OE1 2.59Å; R311-E336 IonicContact NH1-OE1 2.76Å; R311-E336 VanDerWaalsContact NH2-CG 3.33Å; R311-E336 PolarHBondContact NH2-O 3.41Å; R311-E336 IonicContact NH2-OE1 3.24Å
312	R	97.9	Very high	97.4	Very high	37 Å²	37	37.3 Å²	37.3	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-69.3	-44	177	-69.4	-176	66	83.7	-5.5	111.3	D269 K308 H309 Y314 E315 I316	D269-R312 IonicContact OD1-NE 3.49Å; D269-R312 PolarHBondContact OD1-NE 2.99Å; D269-R312 IonicContact OD2-CZ 2.68Å; D269-R312 IonicContact OD2-NE 3.99Å; D269-R312 PolarHBondContact OD2-NE 2.89Å; D269-R312 IonicContact OD2-NH2 3.58Å; D269-R312 PolarHBondContact OD2-NH2 3.18Å; K308-R312 PolarHBondContact O-N 3.09Å; H309-R312 PolarHBondContact O-N 3.33Å; R312-Y314 VanDerWaalsContact C-N 3.3Å; R312-Y314 PolarHBondContact O-N 3.2Å; R312-E315 PolarHBondContact O-N 2.93Å; R312-I316 WeakPolarHBondContact O-CG1 3.49Å; R312-I316 PolarHBondContact O-N 3.21Å
313	V	98.4	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55	-46.5	173.4	170.8	0	0	0	0	111.4	L272 C276 F282 H309 E315 I316 L317	L272-V313 HydrophobicContact CB-CG2 3.66Å; C276-V313 HydrophobicContact CB-CG1 3.48Å; C276-V313 VanDerWaalsContact CB-CG1 3.48Å; F282-V313 HydrophobicContact CD1-CG1 4.17Å; F282-V313 HydrophobicContact CE1-CB 4.39Å; F282-V313 HydrophobicContact CE1-CG1 3.82Å; F282-V313 HydrophobicContact CZ-CG1 4.43Å; H309-V313 WeakPolarHBondContact O-CG2 3.47Å; H309-V313 PolarHBondContact O-N 2.88Å; V313-E315 VanDerWaalsContact C-N 3.34Å; V313-E315 PolarHBondContact O-N 3.24Å; V313-I316 PolarHBondContact O-N 2.91Å; V313-L317 HydrophobicContact CG1-CD1 3.9Å; V313-L317 HydrophobicContact CG1-CG 4.45Å; V313-L317 WeakPolarHBondContact O-CG 3.17Å; V313-L317 PolarHBondContact O-N 2.85Å
314	Y	98.5	Very high	97.1	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-55.9	-46.8	173.6	159.5	-96.3	0	0	0	111.8	L287 G290 F291 M295 A310 R312 I316 L317 R318 E336	L287-Y314 HydrophobicContact CD2-CD2 3.92Å; L287-Y314 HydrophobicContact CD2-CE2 4.33Å; L287-Y314 WeakPolarHBondContact O-CE2 3.3Å; L287-Y314 PolarHBondContact O-OH 2.68Å; G290-Y314 VanDerWaalsContact CA-OH 3.28Å; G290-Y314 WeakPolarHBondContact CA-OH 3.34Å; F291-Y314 HydrophobicContact CB-CD1 3.77Å; F291-Y314 HydrophobicContact CB-CD2 4.4Å; F291-Y314 HydrophobicContact CB-CE1 3.85Å; F291-Y314 HydrophobicContact CB-CE2 4.46Å; F291-Y314 HydrophobicContact CB-CG 4.07Å; F291-Y314 AromaticContact CD2-CD1 3.97Å; F291-Y314 HydrophobicContact CD2-CD1 3.97Å; F291-Y314 HydrophobicContact CD2-CD2 4.25Å; F291-Y314 AromaticContact CD2-CG 3.64Å; F291-Y314 HydrophobicContact CD2-CG 3.64Å; F291-Y314 HydrophobicContact CG-CD1 4.21Å; F291-Y314 HydrophobicContact CG-CG 4.29Å; M295-Y314 HydrophobicContact CE-CD2 3.73Å; M295-Y314 HydrophobicContact CE-CE2 4.13Å; M295-Y314 HydrophobicContact SD-CD2 3.54Å; M295-Y314 VanDerWaalsContact SD-CD2 3.54Å; M295-Y314 HydrophobicContact SD-CE2 4.3Å; M295-Y314 HydrophobicContact SD-CG 4.18Å; A310-Y314 WeakPolarHBondContact O-CB 3.45Å; A310-Y314 PolarHBondContact O-N 2.99Å; R312-Y314 VanDerWaalsContact C-N 3.3Å; R312-Y314 PolarHBondContact O-N 3.2Å; Y314-I316 VanDerWaalsContact C-N 3.35Å; Y314-I316 PolarHBondContact O-N 3.39Å; Y314-L317 PolarHBondContact O-N 2.95Å; Y314-R318 HydrophobicContact CE2-CB 4.19Å; Y314-R318 WeakPolarHBondContact O-CA 3.47Å; Y314-R318 WeakPolarHBondContact O-CB 3.29Å; Y314-R318 PolarHBondContact O-N 2.89Å; Y314-R318 PolarHBondContact OH-NH1 3.39Å; Y314-E336 WeakPolarHBondContact CE1-OE1 3.44Å; Y314-E336 PolarHBondContact OH-OE1 2.82Å; Y314-E336 PolarHBondContact OH-OE2 2.52Å
315	E	98.3	Very high	96.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-39.7	-179.6	-70.4	173.9	-172.8	0	0	112	R311 R312 V313 R318 L319 Y333 V337 R340 Y391	R311-E315 IonicContact CZ-OE1 2.69Å; R311-E315 IonicContact NE-OE1 3.69Å; R311-E315 PolarHBondContact NE-OE1 3.42Å; R311-E315 IonicContact NH2-OE1 3.88Å; R311-E315 PolarHBondContact NH2-OE1 2.91Å; R311-E315 WeakPolarHBondContact O-CG 3.05Å; R311-E315 PolarHBondContact O-N 3.09Å; R311-E315 VanDerWaalsContact O-N 3.15Å; R312-E315 PolarHBondContact O-N 2.93Å; V313-E315 VanDerWaalsContact C-N 3.34Å; V313-E315 PolarHBondContact O-N 3.24Å; E315-R318 PolarHBondContact O-N 3.2Å; E315-L319 WeakPolarHBondContact O-CB 3.43Å; E315-L319 PolarHBondContact O-N 3.32Å; E315-Y333 WeakPolarHBondContact O-CE2 3.4Å; E315-V337 HydrophobicContact CB-CG2 4.5Å; E315-V337 HydrophobicContact CG-CG2 4.16Å; E315-R340 WeakPolarHBondContact OE1-CD 3.31Å; E315-R340 IonicContact OE1-CZ 3.67Å; E315-R340 IonicContact OE1-NE 2.74Å; E315-R340 PolarHBondContact OE1-NE 3.29Å; E315-R340 IonicContact OE2-CZ 2.84Å; E315-R340 VanDerWaalsContact OE2-CZ 3.28Å; E315-R340 IonicContact OE2-NE 3.42Å; E315-R340 PolarHBondContact OE2-NE 3.42Å; E315-R340 IonicContact OE2-NH2 3.51Å; E315-R340 PolarHBondContact OE2-NH2 3.04Å; E315-Y391 HydrophobicContact CB-CD2 4.36Å; E315-Y391 HydrophobicContact CB-CE2 3.56Å; E315-Y391 PolarHBondContact OE2-OH 2.59Å
316	I	98.4	Very high	96.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-50.4	177.2	-64.6	160.6	0	0	0	110.9	D269 T273 R312 V313 Y314 R318 L319 R320 Y391 V394 I395	D269-I316 HydrophobicContact CB-CD1 3.81Å; T273-I316 HydrophobicContact CG2-CB 4.38Å; T273-I316 HydrophobicContact CG2-CG2 3.8Å; T273-I316 WeakPolarHBondContact OG1-CD1 3.38Å; R312-I316 WeakPolarHBondContact O-CG1 3.49Å; R312-I316 PolarHBondContact O-N 3.21Å; V313-I316 PolarHBondContact O-N 2.91Å; Y314-I316 VanDerWaalsContact C-N 3.35Å; Y314-I316 PolarHBondContact O-N 3.39Å; I316-R318 VanDerWaalsContact C-N 3.33Å; I316-R318 PolarHBondContact O-N 3.44Å; I316-L319 WeakPolarHBondContact O-CB 3.43Å; I316-L319 PolarHBondContact O-N 3.11Å; I316-R320 PolarHBondContact O-N 3.47Å; I316-Y391 HydrophobicContact CD1-CD1 3.86Å; I316-Y391 HydrophobicContact CD1-CE1 4.04Å; I316-Y391 HydrophobicContact CG1-CD1 3.3Å; I316-Y391 HydrophobicContact CG1-CD2 4.1Å; I316-Y391 HydrophobicContact CG1-CE1 3.69Å; I316-Y391 HydrophobicContact CG1-CE2 4.45Å; I316-Y391 HydrophobicContact CG1-CG 3.52Å; I316-V394 HydrophobicContact CD1-CG1 4.41Å; I316-V394 HydrophobicContact CG2-CB 4.18Å; I316-V394 HydrophobicContact CG2-CG1 3.76Å; I316-I395 HydrophobicContact CG2-CG1 4.03Å
317	L	98.1	Very high	96.8	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-66.2	-38.5	178.6	-67.1	174.7	0	0	0	111.3	T273 Q277 F282 L287 V313 Y314 L319 R320 A321	T273-L317 HydrophobicContact CG2-CD2 3.56Å; T273-L317 HydrophobicContact CG2-CG 3.83Å; Q277-L317 HydrophobicContact CB-CD1 4.47Å; Q277-L317 HydrophobicContact CB-CD2 3.93Å; F282-L317 HydrophobicContact CB-CD1 3.92Å; F282-L317 HydrophobicContact CD1-CD1 3.8Å; F282-L317 HydrophobicContact CG-CD1 4.19Å; L287-L317 HydrophobicContact CD1-CB 3.74Å; L287-L317 WeakPolarHBondContact CD1-O 3.49Å; L287-L317 HydrophobicContact CD2-CB 3.9Å; V313-L317 HydrophobicContact CG1-CD1 3.9Å; V313-L317 HydrophobicContact CG1-CG 4.45Å; V313-L317 WeakPolarHBondContact O-CG 3.17Å; V313-L317 PolarHBondContact O-N 2.85Å; Y314-L317 PolarHBondContact O-N 2.95Å; L317-L319 VanDerWaalsContact C-N 3.32Å; L317-L319 PolarHBondContact O-N 3.28Å; L317-R320 WeakPolarHBondContact O-CB 3.41Å; L317-R320 PolarHBondContact O-N 3.35Å; L317-A321 PolarHBondContact O-N 2.63Å
318	R	97.7	Very high	96.8	Very high	22 Å²	22	52.8 Å²	52.8	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-40.4	175.2	176.1	58.6	-178.5	-94	3	111.2	L287 H288 Y314 E315 I316 A321 T322 Y333 E336	L287-R318 WeakPolarHBondContact O-CD 3.4Å; L287-R318 PolarHBondContact O-NH1 2.84Å; H288-R318 PolarHBondContact O-NH1 3.31Å; H288-R318 VanDerWaalsContact O-NH1 3.16Å; Y314-R318 HydrophobicContact CE2-CB 4.19Å; Y314-R318 WeakPolarHBondContact O-CA 3.47Å; Y314-R318 WeakPolarHBondContact O-CB 3.29Å; Y314-R318 PolarHBondContact O-N 2.89Å; Y314-R318 PolarHBondContact OH-NH1 3.39Å; E315-R318 PolarHBondContact O-N 3.2Å; I316-R318 VanDerWaalsContact C-N 3.33Å; I316-R318 PolarHBondContact O-N 3.44Å; R318-A321 CarbonylContact O-C 3.59Å; R318-A321 PolarHBondContact O-N 3.3Å; R318-T322 PolarHBondContact NE-OG1 2.94Å; R318-T322 VanDerWaalsContact O-CB 3.31Å; R318-T322 WeakPolarHBondContact O-CB 3.37Å; R318-T322 PolarHBondContact O-N 3.12Å; R318-T322 PolarHBondContact O-OG1 3.38Å; R318-Y333 HydrophobicContact CB-CE2 4.47Å; R318-Y333 HydrophobicContact CG-CD2 3.85Å; R318-Y333 HydrophobicContact CG-CE2 4.22Å; R318-E336 IonicContact NH1-OE2 2.67Å
319	L	97.5	Very high	96.7	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-46.9	173.4	179.1	62	0	0	0	110.8	E315 I316 L317 A321 T322 M324 Y333 L388 R392 I395	E315-L319 WeakPolarHBondContact O-CB 3.43Å; E315-L319 PolarHBondContact O-N 3.32Å; I316-L319 WeakPolarHBondContact O-CB 3.43Å; I316-L319 PolarHBondContact O-N 3.11Å; L317-L319 VanDerWaalsContact C-N 3.32Å; L317-L319 PolarHBondContact O-N 3.28Å; L319-A321 PolarHBondContact O-N 2.99Å; L319-T322 PolarHBondContact O-N 3.29Å; L319-M324 HydrophobicContact CD1-CE 4.24Å; L319-M324 HydrophobicContact CD1-CG 3.93Å; L319-M324 HydrophobicContact CD1-SD 3.69Å; L319-Y333 HydrophobicContact CB-CE2 3.93Å; L319-Y333 HydrophobicContact CD1-CD1 4.32Å; L319-Y333 HydrophobicContact CD1-CE1 3.81Å; L319-L388 HydrophobicContact CD1-CD1 3.72Å; L319-L388 HydrophobicContact CD2-CD1 3.75Å; L319-L388 HydrophobicContact CG-CD1 4.4Å; L319-R392 HydrophobicContact CD2-CG 4.22Å; L319-I395 HydrophobicContact CB-CD1 4.09Å; L319-I395 HydrophobicContact CD2-CD1 3.85Å; L319-I395 HydrophobicContact CG-CD1 3.87Å
320	R	96.2	Very high	96.5	Very high	122 Å²	122	49.2 Å²	49.2	46%	0.46	25%	0.245	S	C	.	.	H	α-helix	trans	-57.6	-36.9	176.4	-173.2	-179.5	178.1	-178.3	1.3	112.7	I316 L317 I395	I316-R320 PolarHBondContact O-N 3.47Å; L317-R320 WeakPolarHBondContact O-CB 3.41Å; L317-R320 PolarHBondContact O-N 3.35Å; R320-I395 HydrophobicContact CB-CD1 3.84Å; R320-I395 HydrophobicContact CB-CG1 4.06Å; R320-I395 HydrophobicContact CB-CG2 4.38Å; R320-I395 HydrophobicContact CG-CG2 4.05Å
321	A	95	Very high	96.4	Very high	32 Å²	32	56.8 Å²	56.8	26%	0.264	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.6	178.3	0	0	0	0	0	114	L287 H288 L317 R318 L319	L287-A321 HydrophobicContact CD1-CB 3.93Å; H288-A321 PolarHBondContact CE1-O 3.12Å; H288-A321 PolarHBondContact NE2-O 3.45Å; L317-A321 PolarHBondContact O-N 2.63Å; R318-A321 CarbonylContact O-C 3.59Å; R318-A321 PolarHBondContact O-N 3.3Å; L319-A321 PolarHBondContact O-N 2.99Å
322	T	94.7	Very high	96.3	Very high	13 Å²	13	57 Å²	57	8%	0.08	28%	0.284	C	S	.	.	S	Bend	trans	-101.6	123.7	-175.5	-61.6	0	0	0	0	110.8	R318 L319 M324 K329	R318-T322 PolarHBondContact NE-OG1 2.94Å; R318-T322 VanDerWaalsContact O-CB 3.31Å; R318-T322 WeakPolarHBondContact O-CB 3.37Å; R318-T322 PolarHBondContact O-N 3.12Å; R318-T322 PolarHBondContact O-OG1 3.38Å; L319-T322 PolarHBondContact O-N 3.29Å; T322-M324 HydrophobicContact CG2-SD 3.96Å; T322-M324 PolarHBondContact O-N 3.15Å; T322-M324 VanDerWaalsContact O-N 3.13Å; T322-K329 HydrophobicContact CG2-CB 3.95Å
323	D	93.9	Very high	96.2	Very high	82 Å²	82	55.3 Å²	55.3	44%	0.439	28%	0.278	S	S	.	.			trans	-69.3	106.6	165.7	-178.4	0.1	0	0	0	109.5	S325 D326	D323-S325 VanDerWaalsContact CG-OG 3.29Å; D323-S325 PolarHBondContact O-N 2.96Å; D323-S325 WeakPolarHBondContact OD1-CB 3.42Å; D323-S325 PolarHBondContact OD1-N 2.64Å; D323-S325 PolarHBondContact OD1-OG 2.74Å; D323-S325 PolarHBondContact OD2-OG 3.03Å; D323-D326 HydrophobicContact CB-CB 4.49Å; D323-D326 PolarHBondContact O-N 2.84Å
324	M	93.7	Very high	96.1	Very high	64 Å²	64	60 Å²	60	32%	0.315	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.6	-178.2	-66.3	-63.9	-68.4	0	0	113.3	L319 T322 A330 Y333 L388	L319-M324 HydrophobicContact CD1-CE 4.24Å; L319-M324 HydrophobicContact CD1-CG 3.93Å; L319-M324 HydrophobicContact CD1-SD 3.69Å; T322-M324 HydrophobicContact CG2-SD 3.96Å; T322-M324 PolarHBondContact O-N 3.15Å; T322-M324 VanDerWaalsContact O-N 3.13Å; M324-A330 HydrophobicContact CE-CB 4.2Å; M324-A330 HydrophobicContact SD-CB 4.31Å; M324-Y333 HydrophobicContact CE-CD1 4.31Å; M324-Y333 HydrophobicContact SD-CD1 4.26Å; M324-L388 HydrophobicContact CE-CD1 4.5Å
325	S	95.1	Very high	96	Very high	101 Å²	101	64.5 Å²	64.5	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-20	171.9	73.8	0	0	0	0	112.8	D323	D323-S325 VanDerWaalsContact CG-OG 3.29Å; D323-S325 PolarHBondContact O-N 2.96Å; D323-S325 WeakPolarHBondContact OD1-CB 3.42Å; D323-S325 PolarHBondContact OD1-N 2.64Å; D323-S325 PolarHBondContact OD1-OG 2.74Å; D323-S325 PolarHBondContact OD2-OG 3.03Å
326	D	96.6	Very high	95.8	Very high	50 Å²	50	66.3 Å²	66.3	27%	0.267	33%	0.328	S	S	.	.	S	Bend	trans	-81.1	113.1	172.8	179.5	-35.4	0	0	0	110.1	D323 E328 K329 A330	D323-D326 HydrophobicContact CB-CB 4.49Å; D323-D326 PolarHBondContact O-N 2.84Å; D326-E328 VanDerWaalsContact C-N 3.3Å; D326-E328 PolarHBondContact O-N 2.85Å; D326-E328 PolarHBondContact OD1-N 2.9Å; D326-K329 HydrophobicContact CB-CB 4.09Å; D326-K329 HydrophobicContact CB-CD 3.99Å; D326-K329 HydrophobicContact CB-CG 4.19Å; D326-K329 PolarHBondContact O-N 2.85Å; D326-K329 PolarHBondContact OD1-N 3.22Å; D326-K329 VanDerWaalsContact OD1-N 3.1Å; D326-K329 VanDerWaalsContact OD2-CD 3.29Å; D326-K329 WeakPolarHBondContact OD2-CD 3.36Å; D326-K329 WeakPolarHBondContact OD2-CE 3.18Å; D326-K329 IonicContact OD2-NZ 3.79Å; D326-K329 PolarHBondContact OD2-NZ 2.73Å; D326-A330 VanDerWaalsContact O-CB 3.24Å; D326-A330 WeakPolarHBondContact O-CB 3.07Å; D326-A330 PolarHBondContact O-N 2.94Å
327	E	95.7	Very high	95.7	Very high	173 Å²	173	66.4 Å²	66.4	81%	0.808	33%	0.328	S	S	*	.	H	α-helix	trans	-60.4	-35.7	-175.5	-68	-169.4	170.4	0	0	113.5	R331	E327-R331 WeakPolarHBondContact O-CB 3.45Å; E327-R331 PolarHBondContact O-N 3.3Å
328	E	95.9	Very high	95.6	Very high	159 Å²	159	67.8 Å²	67.8	74%	0.743	33%	0.334	S	S	*	.	H	α-helix	trans	-71.3	-46.6	-178.4	-171.4	178.8	176.2	0	0	110.1	D326 R331 A332	D326-E328 VanDerWaalsContact C-N 3.3Å; D326-E328 PolarHBondContact O-N 2.85Å; D326-E328 PolarHBondContact OD1-N 2.9Å; E328-R331 PolarHBondContact O-N 2.98Å; E328-A332 WeakPolarHBondContact O-CB 3.39Å; E328-A332 PolarHBondContact O-N 3.31Å
329	K	94.2	Very high	95.4	Very high	96 Å²	96	73.9 Å²	73.9	42%	0.417	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-44.8	177.7	-67.1	179.4	-169.4	155.5	0	112	T322 D326 R331 A332 Y333	T322-K329 HydrophobicContact CG2-CB 3.95Å; D326-K329 HydrophobicContact CB-CB 4.09Å; D326-K329 HydrophobicContact CB-CD 3.99Å; D326-K329 HydrophobicContact CB-CG 4.19Å; D326-K329 PolarHBondContact O-N 2.85Å; D326-K329 PolarHBondContact OD1-N 3.22Å; D326-K329 VanDerWaalsContact OD1-N 3.1Å; D326-K329 VanDerWaalsContact OD2-CD 3.29Å; D326-K329 WeakPolarHBondContact OD2-CD 3.36Å; D326-K329 WeakPolarHBondContact OD2-CE 3.18Å; D326-K329 IonicContact OD2-NZ 3.79Å; D326-K329 PolarHBondContact OD2-NZ 2.73Å; K329-R331 VanDerWaalsContact C-N 3.32Å; K329-R331 PolarHBondContact O-N 3.27Å; K329-A332 PolarHBondContact O-N 3.46Å; K329-Y333 PolarHBondContact O-N 2.73Å
330	A	95	Very high	95.2	Very high	18 Å²	18	76.4 Å²	76.4	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-61.3	-41.5	176.1	0	0	0	0	0	111.4	M324 D326 R334	M324-A330 HydrophobicContact CE-CB 4.2Å; M324-A330 HydrophobicContact SD-CB 4.31Å; D326-A330 VanDerWaalsContact O-CB 3.24Å; D326-A330 WeakPolarHBondContact O-CB 3.07Å; D326-A330 PolarHBondContact O-N 2.94Å; A330-R334 VanDerWaalsContact O-CB 3.29Å; A330-R334 WeakPolarHBondContact O-CB 3.42Å; A330-R334 PolarHBondContact O-N 3.45Å
331	R	95.9	Very high	95	Very high	159 Å²	159	72 Å²	72	60%	0.6	36%	0.356	S	S	*	.	H	α-helix	trans	-63.7	-45.4	175.2	179.6	179.1	179.1	174.9	0.1	111.7	E327 E328 K329 R334 L335	E327-R331 WeakPolarHBondContact O-CB 3.45Å; E327-R331 PolarHBondContact O-N 3.3Å; E328-R331 PolarHBondContact O-N 2.98Å; K329-R331 VanDerWaalsContact C-N 3.32Å; K329-R331 PolarHBondContact O-N 3.27Å; R331-R334 PolarHBondContact O-N 3.38Å; R331-L335 HydrophobicContact CG-CD1 4.02Å; R331-L335 HydrophobicContact CG-CG 4.38Å; R331-L335 WeakPolarHBondContact O-CB 3.44Å; R331-L335 VanDerWaalsContact O-CG 3.29Å; R331-L335 WeakPolarHBondContact O-CG 3.44Å; R331-L335 PolarHBondContact O-N 2.72Å
332	A	95.5	Very high	94.7	Very high	48 Å²	48	72.7 Å²	72.7	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-47.6	179.4	0	0	0	0	0	111.5	E328 K329 L335 E336	E328-A332 WeakPolarHBondContact O-CB 3.39Å; E328-A332 PolarHBondContact O-N 3.31Å; K329-A332 PolarHBondContact O-N 3.46Å; A332-L335 PolarHBondContact O-N 3.16Å; A332-E336 PolarHBondContact O-N 2.82Å; A332-E336 VanDerWaalsContact O-N 3.13Å
333	Y	96.6	Very high	94.2	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-58.9	-51.1	175.2	173.9	-99.2	0	0	0	111.9	E315 R318 L319 M324 K329 L335 E336 V337 Y384 L388 Y391	E315-Y333 WeakPolarHBondContact O-CE2 3.4Å; R318-Y333 HydrophobicContact CB-CE2 4.47Å; R318-Y333 HydrophobicContact CG-CD2 3.85Å; R318-Y333 HydrophobicContact CG-CE2 4.22Å; L319-Y333 HydrophobicContact CB-CE2 3.93Å; L319-Y333 HydrophobicContact CD1-CD1 4.32Å; L319-Y333 HydrophobicContact CD1-CE1 3.81Å; M324-Y333 HydrophobicContact CE-CD1 4.31Å; M324-Y333 HydrophobicContact SD-CD1 4.26Å; K329-Y333 PolarHBondContact O-N 2.73Å; Y333-L335 VanDerWaalsContact C-N 3.32Å; Y333-L335 PolarHBondContact O-N 2.86Å; Y333-E336 PolarHBondContact O-N 3.34Å; Y333-E336 VanDerWaalsContact O-N 3.11Å; Y333-V337 HydrophobicContact CD1-CG2 4.45Å; Y333-V337 HydrophobicContact CD2-CG2 4.32Å; Y333-V337 HydrophobicContact CE1-CG2 3.9Å; Y333-V337 HydrophobicContact CE2-CG2 3.79Å; Y333-V337 PolarHBondContact O-N 3.29Å; Y333-Y384 HydrophobicContact CE1-CE2 4.21Å; Y333-L388 HydrophobicContact CE1-CD1 3.82Å; Y333-Y391 VanDerWaalsContact OH-CD2 3.31Å; Y333-Y391 WeakPolarHBondContact OH-CD2 3.43Å
334	R	96.4	Very high	93.6	Very high	100 Å²	100	73.4 Å²	73.4	38%	0.377	37%	0.368	S	S	.	.	H	α-helix	trans	-55.7	-46.2	179.2	178.7	176.5	65.9	173.1	-4.1	112.1	A330 R331 E336 V337 K338 Y384	A330-R334 VanDerWaalsContact O-CB 3.29Å; A330-R334 WeakPolarHBondContact O-CB 3.42Å; A330-R334 PolarHBondContact O-N 3.45Å; R331-R334 PolarHBondContact O-N 3.38Å; R334-E336 VanDerWaalsContact C-N 3.31Å; R334-E336 PolarHBondContact O-N 3.42Å; R334-V337 PolarHBondContact O-N 2.98Å; R334-K338 HydrophobicContact CG-CD 4.19Å; R334-K338 HydrophobicContact CG-CG 4.46Å; R334-K338 WeakPolarHBondContact O-CB 3.29Å; R334-K338 WeakPolarHBondContact O-CG 3.49Å; R334-K338 PolarHBondContact O-N 3.16Å; R334-Y384 HydrophobicContact CB-CE1 4.36Å; R334-Y384 HydrophobicContact CB-CE2 4.11Å; R334-Y384 HydrophobicContact CG-CD1 4.2Å; R334-Y384 HydrophobicContact CG-CD2 4.39Å; R334-Y384 HydrophobicContact CG-CE1 3.74Å; R334-Y384 HydrophobicContact CG-CE2 3.94Å
335	L	95.1	Very high	92.9	Very high	95 Å²	95	73 Å²	73	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-37.9	179.7	-72.5	175.6	0	0	0	111.9	R331 A332 Y333 K339	R331-L335 HydrophobicContact CG-CD1 4.02Å; R331-L335 HydrophobicContact CG-CG 4.38Å; R331-L335 WeakPolarHBondContact O-CB 3.44Å; R331-L335 VanDerWaalsContact O-CG 3.29Å; R331-L335 WeakPolarHBondContact O-CG 3.44Å; R331-L335 PolarHBondContact O-N 2.72Å; A332-L335 PolarHBondContact O-N 3.16Å; Y333-L335 VanDerWaalsContact C-N 3.32Å; Y333-L335 PolarHBondContact O-N 2.86Å; L335-K339 WeakPolarHBondContact O-CB 3.26Å; L335-K339 PolarHBondContact O-N 3.43Å
336	E	94.9	Very high	92	Very high	38 Å²	38	74.5 Å²	74.5	18%	0.178	35%	0.353	C	S	.	.	H	α-helix	trans	-67.1	-45.7	178.2	-176.7	170.3	-165	0	0	112.3	R311 Y314 R318 A332 Y333 R334 K339 R340	R311-E336 IonicContact CZ-OE1 2.59Å; R311-E336 IonicContact NH1-OE1 2.76Å; R311-E336 VanDerWaalsContact NH2-CG 3.33Å; R311-E336 PolarHBondContact NH2-O 3.41Å; R311-E336 IonicContact NH2-OE1 3.24Å; Y314-E336 WeakPolarHBondContact CE1-OE1 3.44Å; Y314-E336 PolarHBondContact OH-OE1 2.82Å; Y314-E336 PolarHBondContact OH-OE2 2.52Å; R318-E336 IonicContact NH1-OE2 2.67Å; A332-E336 PolarHBondContact O-N 2.82Å; A332-E336 VanDerWaalsContact O-N 3.13Å; Y333-E336 PolarHBondContact O-N 3.34Å; Y333-E336 VanDerWaalsContact O-N 3.11Å; R334-E336 VanDerWaalsContact C-N 3.31Å; R334-E336 PolarHBondContact O-N 3.42Å; E336-K339 WeakPolarHBondContact O-CB 3.31Å; E336-K339 PolarHBondContact O-N 3.12Å; E336-R340 PolarHBondContact O-N 3.49Å
337	V	96.3	Very high	91.1	Very high	2 Å²	2	78.2 Å²	78.2	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-46.1	177.6	179.3	0	0	0	0	110.5	E315 Y333 R334 K339 R340 L341 Y384	E315-V337 HydrophobicContact CB-CG2 4.5Å; E315-V337 HydrophobicContact CG-CG2 4.16Å; Y333-V337 HydrophobicContact CD1-CG2 4.45Å; Y333-V337 HydrophobicContact CD2-CG2 4.32Å; Y333-V337 HydrophobicContact CE1-CG2 3.9Å; Y333-V337 HydrophobicContact CE2-CG2 3.79Å; Y333-V337 PolarHBondContact O-N 3.29Å; R334-V337 PolarHBondContact O-N 2.98Å; V337-K339 VanDerWaalsContact C-N 3.27Å; V337-K339 PolarHBondContact O-N 3.03Å; V337-R340 WeakPolarHBondContact O-CB 3.47Å; V337-R340 PolarHBondContact O-N 2.78Å; V337-L341 HydrophobicContact CG1-CD1 3.93Å; V337-L341 HydrophobicContact CG1-CG 4.35Å; V337-L341 PolarHBondContact O-N 2.87Å; V337-Y384 HydrophobicContact CB-CD2 3.95Å; V337-Y384 HydrophobicContact CB-CE2 3.98Å; V337-Y384 HydrophobicContact CG1-CD2 3.78Å; V337-Y384 HydrophobicContact CG1-CE2 4.17Å; V337-Y384 HydrophobicContact CG2-CE2 4.43Å
338	K	95.3	Very high	90.2	Very high	38 Å²	38	74 Å²	74	17%	0.165	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-36.9	175.8	-78.5	-170.5	172.5	-166.8	0	112.5	R334 R340 L341 F342 L380 E381 Y384	R334-K338 HydrophobicContact CG-CD 4.19Å; R334-K338 HydrophobicContact CG-CG 4.46Å; R334-K338 WeakPolarHBondContact O-CB 3.29Å; R334-K338 WeakPolarHBondContact O-CG 3.49Å; R334-K338 PolarHBondContact O-N 3.16Å; K338-R340 VanDerWaalsContact C-N 3.29Å; K338-R340 PolarHBondContact O-N 3.48Å; K338-L341 PolarHBondContact O-N 3.46Å; K338-F342 VanDerWaalsContact O-CB 3.26Å; K338-F342 WeakPolarHBondContact O-CB 3.12Å; K338-F342 PolarHBondContact O-N 3.2Å; K338-L380 HydrophobicContact CB-CD2 4.29Å; K338-L380 HydrophobicContact CB-CG 4.48Å; K338-L380 HydrophobicContact CD-CD2 4.31Å; K338-L380 HydrophobicContact CD-CG 4.37Å; K338-L380 HydrophobicContact CG-CD2 4.4Å; K338-L380 HydrophobicContact CG-CG 4.22Å; K338-E381 WeakPolarHBondContact CE-OE2 3.1Å; K338-E381 IonicContact NZ-OE2 2.73Å; K338-E381 PolarHBondContact NZ-OE2 2.97Å; K338-Y384 HydrophobicContact CG-CD2 4.26Å; K338-Y384 HydrophobicContact CG-CG 4.24Å
339	K	93.2	Very high	89.2	Confident	151 Å²	151	71.1 Å²	71.1	66%	0.657	34%	0.337	S	S	*	.	H	α-helix	trans	-61.1	-37	175.6	-176.3	179.8	177.9	-178.3	0	112.1	L335 E336 V337	L335-K339 WeakPolarHBondContact O-CB 3.26Å; L335-K339 PolarHBondContact O-N 3.43Å; E336-K339 WeakPolarHBondContact O-CB 3.31Å; E336-K339 PolarHBondContact O-N 3.12Å; V337-K339 VanDerWaalsContact C-N 3.27Å; V337-K339 PolarHBondContact O-N 3.03Å
340	R	94	Very high	88.5	Confident	61 Å²	61	75 Å²	75	23%	0.23	35%	0.349	C	S	.	.	H	α-helix	trans	-68.6	-50.6	172.5	177.3	-171.1	59.9	79.1	-1.3	111	E315 E336 V337 K338 F342 G343 Y391	E315-R340 WeakPolarHBondContact OE1-CD 3.31Å; E315-R340 IonicContact OE1-CZ 3.67Å; E315-R340 IonicContact OE1-NE 2.74Å; E315-R340 PolarHBondContact OE1-NE 3.29Å; E315-R340 IonicContact OE2-CZ 2.84Å; E315-R340 VanDerWaalsContact OE2-CZ 3.28Å; E315-R340 IonicContact OE2-NE 3.42Å; E315-R340 PolarHBondContact OE2-NE 3.42Å; E315-R340 IonicContact OE2-NH2 3.51Å; E315-R340 PolarHBondContact OE2-NH2 3.04Å; E336-R340 PolarHBondContact O-N 3.49Å; V337-R340 WeakPolarHBondContact O-CB 3.47Å; V337-R340 PolarHBondContact O-N 2.78Å; K338-R340 VanDerWaalsContact C-N 3.29Å; K338-R340 PolarHBondContact O-N 3.48Å; R340-F342 PolarHBondContact O-N 2.95Å; R340-G343 PolarHBondContact O-N 3.46Å; R340-Y391 PolarHBondContact NH2-OH 3.27Å
341	L	92.3	Very high	87.7	Confident	30 Å²	30	77.8 Å²	77.8	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-61.8	-30.4	-177.9	-69.6	171.9	0	0	0	112.7	V337 K338 G343 P344 L380	V337-L341 HydrophobicContact CG1-CD1 3.93Å; V337-L341 HydrophobicContact CG1-CG 4.35Å; V337-L341 PolarHBondContact O-N 2.87Å; K338-L341 PolarHBondContact O-N 3.46Å; L341-G343 VanDerWaalsContact C-N 3.28Å; L341-G343 PolarHBondContact O-N 3.04Å; L341-P344 WeakPolarHBondContact O-CD 3.43Å; L341-L380 HydrophobicContact CB-CD1 3.51Å
342	F	88.7	Confident	86.6	Confident	47 Å²	47	73.2 Å²	73.2	21%	0.206	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.4	174.5	-164.3	-108.2	0	0	0	113.8	K338 R340 Y345 R346 L380	K338-F342 VanDerWaalsContact O-CB 3.26Å; K338-F342 WeakPolarHBondContact O-CB 3.12Å; K338-F342 PolarHBondContact O-N 3.2Å; R340-F342 PolarHBondContact O-N 2.95Å; F342-Y345 HydrophobicContact CD2-CD2 4.12Å; F342-Y345 HydrophobicContact CD2-CG 4.22Å; F342-Y345 HydrophobicContact CE2-CG 4.27Å; F342-Y345 PolarHBondContact O-N 3.02Å; F342-R346 HydrophobicContact CD1-CG 3.6Å; F342-R346 HydrophobicContact CE1-CG 3.49Å; F342-R346 VanDerWaalsContact CE1-CG 3.49Å; F342-R346 PolarHBondContact O-N 3.06Å; F342-R346 VanDerWaalsContact O-N 3.16Å; F342-L380 HydrophobicContact CB-CD1 4.23Å; F342-L380 HydrophobicContact CB-CD2 4.24Å; F342-L380 HydrophobicContact CD2-CD2 4.02Å; F342-L380 HydrophobicContact CG-CD2 4.46Å
343	G	84.4	Confident	85.7	Confident	32 Å²	32	73.3 Å²	73.3	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-55.9	-49.4	-179.2	0	0	0	0	0	114.4	R340 L341 Y345 R346 K347	R340-G343 PolarHBondContact O-N 3.46Å; L341-G343 VanDerWaalsContact C-N 3.28Å; L341-G343 PolarHBondContact O-N 3.04Å; G343-Y345 PolarHBondContact O-N 3.41Å; G343-R346 PolarHBondContact O-N 3.32Å; G343-K347 PolarHBondContact O-N 2.7Å; G343-K347 VanDerWaalsContact O-N 3.09Å
344	P	81.3	Confident	84.9	Confident	78 Å²	78	80.2 Å²	80.2	51%	0.506	38%	0.377	S	S	.	.	H	α-helix	trans	-56.6	-45.9	174.7	-26.6	35.9	0	0	0	113.2	L341 R346 K347 N348	L341-P344 WeakPolarHBondContact O-CD 3.43Å; P344-R346 VanDerWaalsContact C-N 3.32Å; P344-R346 PolarHBondContact O-N 3.31Å; P344-K347 WeakPolarHBondContact O-CA 3.28Å; P344-K347 WeakPolarHBondContact O-CB 3.39Å; P344-K347 PolarHBondContact O-N 3.45Å; P344-N348 PolarHBondContact O-N 3.07Å; P344-N348 PolarHBondContact O-OD1 3.01Å
345	Y	78.8	Confident	83.9	Confident	56 Å²	56	79.2 Å²	79.2	22%	0.22	38%	0.377	C	S	.	.	H	α-helix	trans	-57.3	-43.9	177.1	-66.6	-89.7	0	0	0	112	F342 G343 K347 N348 Q349 E379	F342-Y345 HydrophobicContact CD2-CD2 4.12Å; F342-Y345 HydrophobicContact CD2-CG 4.22Å; F342-Y345 HydrophobicContact CE2-CG 4.27Å; F342-Y345 PolarHBondContact O-N 3.02Å; G343-Y345 PolarHBondContact O-N 3.41Å; Y345-K347 VanDerWaalsContact C-N 3.32Å; Y345-K347 PolarHBondContact O-N 3.46Å; Y345-N348 PolarHBondContact O-N 2.88Å; Y345-Q349 WeakPolarHBondContact O-CB 3.39Å; Y345-Q349 WeakPolarHBondContact O-CG 3.35Å; Y345-Q349 PolarHBondContact O-N 3.33Å; Y345-E379 PolarHBondContact OH-OE2 2.93Å
346	R	76.4	Confident	83	Confident	132 Å²	132	80.3 Å²	80.3	50%	0.498	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-36.6	174.9	-72.9	-177	173.2	-171.4	-1.4	112.9	F342 G343 P344 R350	F342-R346 HydrophobicContact CD1-CG 3.6Å; F342-R346 HydrophobicContact CE1-CG 3.49Å; F342-R346 VanDerWaalsContact CE1-CG 3.49Å; F342-R346 PolarHBondContact O-N 3.06Å; F342-R346 VanDerWaalsContact O-N 3.16Å; G343-R346 PolarHBondContact O-N 3.32Å; P344-R346 VanDerWaalsContact C-N 3.32Å; P344-R346 PolarHBondContact O-N 3.31Å; R346-R350 VanDerWaalsContact O-CG 3.27Å; R346-R350 WeakPolarHBondContact O-CG 3.04Å; R346-R350 PolarHBondContact O-N 3.47Å; R346-R350 VanDerWaalsContact O-N 3.15Å
347	K	76.9	Confident	82.2	Confident	127 Å²	127	87.2 Å²	87.2	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-67.7	-48.2	177.7	-170.4	-175.7	171.3	-159.8	0	110.3	G343 P344 Y345 Q349 R350 E351	G343-K347 PolarHBondContact O-N 2.7Å; G343-K347 VanDerWaalsContact O-N 3.09Å; P344-K347 WeakPolarHBondContact O-CA 3.28Å; P344-K347 WeakPolarHBondContact O-CB 3.39Å; P344-K347 PolarHBondContact O-N 3.45Å; Y345-K347 VanDerWaalsContact C-N 3.32Å; Y345-K347 PolarHBondContact O-N 3.46Å; K347-Q349 PolarHBondContact O-N 3.06Å; K347-R350 WeakPolarHBondContact O-CB 3.39Å; K347-R350 PolarHBondContact O-N 3.21Å; K347-R350 VanDerWaalsContact O-N 3.09Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 IonicContact NZ-OE1 2.72Å; K347-E351 PolarHBondContact O-N 3.47Å
348	N	76.7	Confident	81.4	Confident	86 Å²	86	92.3 Å²	92.3	46%	0.46	44%	0.439	S	S	.	.	H	α-helix	trans	-60.4	-43.3	177.4	-68.4	5.3	0	0	0	111.4	P344 Y345 R350 E351 L352	P344-N348 PolarHBondContact O-N 3.07Å; P344-N348 PolarHBondContact O-OD1 3.01Å; Y345-N348 PolarHBondContact O-N 2.88Å; N348-R350 VanDerWaalsContact C-N 3.31Å; N348-R350 PolarHBondContact O-N 3.01Å; N348-E351 PolarHBondContact O-N 2.98Å; N348-L352 WeakPolarHBondContact O-CB 3.39Å; N348-L352 WeakPolarHBondContact O-CG 3.37Å; N348-L352 PolarHBondContact O-N 3.33Å
349	Q	75.6	Confident	80.5	Confident	97 Å²	97	93.7 Å²	93.7	45%	0.453	45%	0.447	S	S	.	.	H	α-helix	trans	-59.6	-39.5	174.5	-77.1	179.8	-0.3	0	0	112.7	Y345 K347 A353	Y345-Q349 WeakPolarHBondContact O-CB 3.39Å; Y345-Q349 WeakPolarHBondContact O-CG 3.35Å; Y345-Q349 PolarHBondContact O-N 3.33Å; K347-Q349 PolarHBondContact O-N 3.06Å; Q349-A353 VanDerWaalsContact O-CB 3.3Å; Q349-A353 WeakPolarHBondContact O-CB 3.43Å; Q349-A353 PolarHBondContact O-N 3.47Å
350	R	78.5	Confident	79.6	Confident	179 Å²	179	93.8 Å²	93.8	68%	0.675	44%	0.443	S	S	*	.	H	α-helix	trans	-68.7	-38.9	176.1	-73.1	170.6	-179.9	-170	-1	112	R346 K347 N348 A353 K354	R346-R350 VanDerWaalsContact O-CG 3.27Å; R346-R350 WeakPolarHBondContact O-CG 3.04Å; R346-R350 PolarHBondContact O-N 3.47Å; R346-R350 VanDerWaalsContact O-N 3.15Å; K347-R350 WeakPolarHBondContact O-CB 3.39Å; K347-R350 PolarHBondContact O-N 3.21Å; K347-R350 VanDerWaalsContact O-N 3.09Å; N348-R350 VanDerWaalsContact C-N 3.31Å; N348-R350 PolarHBondContact O-N 3.01Å; R350-A353 PolarHBondContact O-N 3.37Å; R350-K354 WeakPolarHBondContact O-CG 3.34Å; R350-K354 PolarHBondContact O-N 2.91Å
351	E	78.1	Confident	78.3	Confident	76 Å²	76	95.9 Å²	95.9	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-66.9	-46.2	176.4	-73.6	177.3	175.7	0	0	111	K347 N348 A353 K354 M355	K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 IonicContact NZ-OE1 2.72Å; K347-E351 PolarHBondContact O-N 3.47Å; N348-E351 PolarHBondContact O-N 2.98Å; E351-A353 VanDerWaalsContact C-N 3.31Å; E351-A353 PolarHBondContact O-N 3.31Å; E351-K354 WeakPolarHBondContact O-CA 3.46Å; E351-K354 WeakPolarHBondContact O-CB 3.32Å; E351-K354 PolarHBondContact O-N 3.18Å; E351-M355 HydrophobicContact CB-CE 4.49Å; E351-M355 WeakPolarHBondContact O-CG 3.43Å; E351-M355 PolarHBondContact O-N 2.68Å
352	L	72.7	Confident	77.2	Confident	63 Å²	63	102 Å²	102	33%	0.33	49%	0.493	S	S	.	.	H	α-helix	trans	-57.2	-42.3	171.8	-75.1	165.7	0	0	0	112	N348 K354 M355 R356	N348-L352 WeakPolarHBondContact O-CB 3.39Å; N348-L352 WeakPolarHBondContact O-CG 3.37Å; N348-L352 PolarHBondContact O-N 3.33Å; L352-K354 VanDerWaalsContact C-N 3.28Å; L352-K354 PolarHBondContact O-N 3.34Å; L352-M355 PolarHBondContact O-N 3.38Å; L352-R356 WeakPolarHBondContact O-CB 3.31Å; L352-R356 WeakPolarHBondContact O-CG 3.24Å; L352-R356 PolarHBondContact O-N 3.06Å
353	A	77.7	Confident	76	Confident	49 Å²	49	103.1 Å²	103.1	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-29.7	176.3	0	0	0	0	0	113.1	Q349 R350 E351 K357	Q349-A353 VanDerWaalsContact O-CB 3.3Å; Q349-A353 WeakPolarHBondContact O-CB 3.43Å; Q349-A353 PolarHBondContact O-N 3.47Å; R350-A353 PolarHBondContact O-N 3.37Å; E351-A353 VanDerWaalsContact C-N 3.31Å; E351-A353 PolarHBondContact O-N 3.31Å; A353-K357 WeakPolarHBondContact O-CG 3.41Å
354	K	80.3	Confident	74.8	Confident	148 Å²	148	103 Å²	103	64%	0.643	49%	0.49	S	S	*	.	H	α-helix	trans	-73.8	-46.1	171.5	-72.1	175.9	178.8	-175.7	0	111.1	R350 E351 L352 R356 K357 C358	R350-K354 WeakPolarHBondContact O-CG 3.34Å; R350-K354 PolarHBondContact O-N 2.91Å; E351-K354 WeakPolarHBondContact O-CA 3.46Å; E351-K354 WeakPolarHBondContact O-CB 3.32Å; E351-K354 PolarHBondContact O-N 3.18Å; L352-K354 VanDerWaalsContact C-N 3.28Å; L352-K354 PolarHBondContact O-N 3.34Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 PolarHBondContact O-N 2.99Å; K354-K357 WeakPolarHBondContact O-CB 3.26Å; K354-K357 PolarHBondContact O-N 3.27Å; K354-C358 PolarHBondContact O-N 2.93Å
355	M	75.7	Confident	73.7	Confident	78 Å²	78	104.7 Å²	104.7	38%	0.384	50%	0.499	S	S	.	.	H	α-helix	trans	-57.5	-42.4	176.6	-69.5	-179	-161.7	0	0	111.4	E351 L352 K357 C358 L359	E351-M355 HydrophobicContact CB-CE 4.49Å; E351-M355 WeakPolarHBondContact O-CG 3.43Å; E351-M355 PolarHBondContact O-N 2.68Å; L352-M355 PolarHBondContact O-N 3.38Å; M355-K357 PolarHBondContact O-N 3.31Å; M355-K357 VanDerWaalsContact O-N 3.11Å; M355-C358 PolarHBondContact O-N 3.05Å; M355-L359 HydrophobicContact CB-CD1 3.99Å; M355-L359 HydrophobicContact CG-CD1 4.38Å; M355-L359 WeakPolarHBondContact O-CB 3.36Å; M355-L359 PolarHBondContact O-N 3.32Å
356	R	74.8	Confident	72.7	Confident	119 Å²	119	106.4 Å²	106.4	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-55.3	-26.8	172.9	-81.3	177.5	-178.5	-173.6	1.7	114.8	L352 K354 L364 M368	L352-R356 WeakPolarHBondContact O-CB 3.31Å; L352-R356 WeakPolarHBondContact O-CG 3.24Å; L352-R356 PolarHBondContact O-N 3.06Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 PolarHBondContact O-N 2.99Å; R356-L364 HydrophobicContact CB-CD1 4.4Å; R356-L364 HydrophobicContact CG-CD1 3.84Å; R356-L364 HydrophobicContact CG-CD2 3.61Å; R356-L364 HydrophobicContact CG-CG 4.29Å; R356-M368 VanDerWaalsContact NH2-CE 3.34Å
357	K	78.8	Confident	71.6	Confident	182 Å²	182	106.3 Å²	106.3	79%	0.791	52%	0.524	S	S	*	.	H	α-helix	trans	-88.3	-15.6	178.8	-69.1	178.7	177.5	-172.2	0	113	A353 K354 M355	A353-K357 WeakPolarHBondContact O-CG 3.41Å; K354-K357 WeakPolarHBondContact O-CB 3.26Å; K354-K357 PolarHBondContact O-N 3.27Å; M355-K357 PolarHBondContact O-N 3.31Å; M355-K357 VanDerWaalsContact O-N 3.11Å
358	C	79.6	Confident	70.6	Confident	110 Å²	110	103.9 Å²	103.9	74%	0.743	52%	0.516	S	S	*	.	H	α-helix	trans	-120.4	-19.6	-169.7	-61.7	0	0	0	0	114	K354 M355	K354-C358 PolarHBondContact O-N 2.93Å; M355-C358 PolarHBondContact O-N 3.05Å
359	L	75.3	Confident	69.7	Low	66 Å²	66	103.3 Å²	103.3	35%	0.346	53%	0.53	S	S	.	.	S	Bend	trans	-104.8	152.8	-178.4	-64.6	178.4	0	0	0	112	M355 E363 L364	M355-L359 HydrophobicContact CB-CD1 3.99Å; M355-L359 HydrophobicContact CG-CD1 4.38Å; M355-L359 WeakPolarHBondContact O-CB 3.36Å; M355-L359 PolarHBondContact O-N 3.32Å; L359-E363 HydrophobicContact CB-CB 4.34Å; L359-L364 HydrophobicContact CB-CD1 4.22Å
360	R	75.6	Confident	68.8	Low	153 Å²	153	105.2 Å²	105.2	58%	0.577	54%	0.539	S	S	*	.			trans	-72.1	151.7	173.8	-66.3	178.5	-69.9	173.6	-0.3	110.1	E362 E363 L364	R360-E362 PolarHBondContact O-N 2.97Å; R360-E362 VanDerWaalsContact O-N 3.12Å; R360-E363 HydrophobicContact CB-CG 4.5Å; R360-E363 IonicContact CZ-OE1 2.64Å; R360-E363 PolarHBondContact N-OE2 3.24Å; R360-E363 IonicContact NE-OE1 3.85Å; R360-E363 PolarHBondContact NE-OE1 3.3Å; R360-E363 IonicContact NE-OE2 3.66Å; R360-E363 IonicContact NH2-OE1 3.08Å; R360-E363 PolarHBondContact NH2-OE1 2.92Å; R360-E363 PolarHBondContact O-N 2.96Å; R360-L364 PolarHBondContact O-N 3.37Å
361	P	66.7	Low	67.9	Low	106 Å²	106	100.3 Å²	100.3	69%	0.688	53%	0.526	S	S	*	.	H	α-helix	trans	-53.1	-36.1	-178.3	-27.8	35.2	0	0	0	114.2	L364 V365	P361-L364 WeakPolarHBondContact O-CB 3.24Å; P361-L364 PolarHBondContact O-N 3.09Å; P361-V365 WeakPolarHBondContact O-CG2 3.4Å; P361-V365 PolarHBondContact O-N 2.84Å
362	E	67.8	Low	67.7	Low	158 Å²	158	101 Å²	101	74%	0.738	53%	0.532	S	S	*	.	H	α-helix	trans	-66.6	-34.6	179	-66.4	155.8	-173.3	0	0	113	R360 L364	R360-E362 PolarHBondContact O-N 2.97Å; R360-E362 VanDerWaalsContact O-N 3.12Å; E362-L364 VanDerWaalsContact C-N 3.27Å; E362-L364 PolarHBondContact O-N 3Å
363	E	63.8	Low	67.8	Low	70 Å²	70	102.6 Å²	102.6	33%	0.327	55%	0.545	S	S	.	.	H	α-helix	trans	-79	-13.6	176.8	-64.4	165.1	165.8	0	0	112.2	L359 R360 S366	L359-E363 HydrophobicContact CB-CB 4.34Å; R360-E363 HydrophobicContact CB-CG 4.5Å; R360-E363 IonicContact CZ-OE1 2.64Å; R360-E363 PolarHBondContact N-OE2 3.24Å; R360-E363 IonicContact NE-OE1 3.85Å; R360-E363 PolarHBondContact NE-OE1 3.3Å; R360-E363 IonicContact NE-OE2 3.66Å; R360-E363 IonicContact NH2-OE1 3.08Å; R360-E363 PolarHBondContact NH2-OE1 2.92Å; R360-E363 PolarHBondContact O-N 2.96Å; E363-S366 PolarHBondContact O-OG 3.11Å
364	L	59.3	Low	67.9	Low	30 Å²	30	106.5 Å²	106.5	16%	0.157	55%	0.554	C	S	.	*	H	α-helix	trans	-87.3	-31.7	-178	-150.8	90.8	0	0	0	112	R356 L359 R360 P361 E362 S366 H367 M368	R356-L364 HydrophobicContact CB-CD1 4.4Å; R356-L364 HydrophobicContact CG-CD1 3.84Å; R356-L364 HydrophobicContact CG-CD2 3.61Å; R356-L364 HydrophobicContact CG-CG 4.29Å; L359-L364 HydrophobicContact CB-CD1 4.22Å; R360-L364 PolarHBondContact O-N 3.37Å; P361-L364 WeakPolarHBondContact O-CB 3.24Å; P361-L364 PolarHBondContact O-N 3.09Å; E362-L364 VanDerWaalsContact C-N 3.27Å; E362-L364 PolarHBondContact O-N 3Å; L364-S366 VanDerWaalsContact C-N 3.33Å; L364-S366 PolarHBondContact O-N 3.38Å; L364-H367 PolarHBondContact O-N 3.49Å; L364-M368 HydrophobicContact CD2-SD 3.42Å; L364-M368 WeakPolarHBondContact CD2-SD 3.35Å; L364-M368 HydrophobicContact CG-SD 3.98Å; L364-M368 VanDerWaalsContact O-CG 3.3Å; L364-M368 WeakPolarHBondContact O-CG 3.46Å; L364-M368 PolarHBondContact O-N 3.38Å
365	V	59.3	Low	67.9	Low	113 Å²	113	101.5 Å²	101.5	69%	0.685	54%	0.536	S	S	*	.	H	α-helix	trans	-66.3	-33.4	-176.5	174.6	0	0	0	0	111.9	P361 H367 M368	P361-V365 WeakPolarHBondContact O-CG2 3.4Å; P361-V365 PolarHBondContact O-N 2.84Å; V365-H367 PolarHBondContact O-N 3.01Å; V365-M368 PolarHBondContact O-N 3.39Å
366	S	57.7	Low	68.2	Low	93 Å²	93	99.4 Å²	99.4	65%	0.65	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.5	177	59.1	0	0	0	0	114	E363 L364	E363-S366 PolarHBondContact O-OG 3.11Å; L364-S366 VanDerWaalsContact C-N 3.33Å; L364-S366 PolarHBondContact O-N 3.38Å
367	H	53.9	Low	68.7	Low	130 Å²	130	99.4 Å²	99.4	60%	0.602	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-1	-177.7	-72.6	-65.7	0	0	0	114.1	L364 V365 G369	L364-H367 PolarHBondContact O-N 3.49Å; V365-H367 PolarHBondContact O-N 3.01Å; H367-G369 PolarHBondContact O-N 2.87Å
368	M	54.8	Low	69.2	Low	76 Å²	76	95.8 Å²	95.8	37%	0.374	52%	0.517	S	S	.	.			trans	-99.5	78.8	-171.6	-81.3	-173.3	54.7	0	0	113.2	R356 L364 V365 Q370	R356-M368 VanDerWaalsContact NH2-CE 3.34Å; L364-M368 HydrophobicContact CD2-SD 3.42Å; L364-M368 WeakPolarHBondContact CD2-SD 3.35Å; L364-M368 HydrophobicContact CG-SD 3.98Å; L364-M368 VanDerWaalsContact O-CG 3.3Å; L364-M368 WeakPolarHBondContact O-CG 3.46Å; L364-M368 PolarHBondContact O-N 3.38Å; V365-M368 PolarHBondContact O-N 3.39Å; M368-Q370 HydrophobicContact CE-CG 4.34Å
369	G	57	Low	69.6	Low	74 Å²	74	93.6 Å²	93.6	76%	0.763	50%	0.495	S	S	*	.			trans	-92.1	87.8	152.2	0	0	0	0	0	109.3	H367 L371	H367-G369 PolarHBondContact O-N 2.87Å; G369-L371 PolarHBondContact O-N 2.9Å
370	Q	58.1	Low	70.4	Confident	137 Å²	137	91.1 Å²	91.1	64%	0.64	48%	0.482	S	S	*	.			trans	-78.6	101.3	170.6	-73.3	-169.8	-43.3	0	0	108.5	M368 D372	M368-Q370 HydrophobicContact CE-CG 4.34Å; Q370-D372 PolarHBondContact O-N 3.01Å
371	L	60	Low	71.2	Confident	76 Å²	76	86.6 Å²	86.6	40%	0.398	47%	0.468	S	S	.	.			trans	-54.7	129	162.4	-81.7	152.5	0	0	0	108.1	G369 T375 Q376	G369-L371 PolarHBondContact O-N 2.9Å; L371-T375 HydrophobicContact CD2-CG2 3.49Å; L371-T375 VanDerWaalsContact CD2-CG2 3.49Å; L371-Q376 HydrophobicContact CB-CG 3.92Å; L371-Q376 PolarHBondContact O-NE2 2.92Å
372	D	72.8	Confident	72.6	Confident	90 Å²	90	88.5 Å²	88.5	48%	0.481	47%	0.465	S	S	.	.			trans	-62.4	159.3	176.5	75.2	44	0	0	0	110.6	Q370 Q374 T375 Q376	Q370-D372 PolarHBondContact O-N 3.01Å; D372-Q374 PolarHBondContact O-N 3.05Å; D372-Q374 WeakPolarHBondContact OD1-CA 3.38Å; D372-Q374 WeakPolarHBondContact OD1-CB 3.47Å; D372-Q374 PolarHBondContact OD1-N 3.14Å; D372-T375 PolarHBondContact O-N 3.23Å; D372-T375 WeakPolarHBondContact OD1-CB 3.45Å; D372-T375 PolarHBondContact OD1-N 3.01Å; D372-T375 PolarHBondContact OD1-OG1 2.86Å; D372-T375 PolarHBondContact OD2-OG1 3.26Å; D372-Q376 WeakPolarHBondContact O-CG 3.43Å; D372-Q376 PolarHBondContact O-N 3.43Å; D372-Q376 VanDerWaalsContact O-N 3.08Å
373	T	75.6	Confident	73.8	Confident	97 Å²	97	83.1 Å²	83.1	60%	0.595	45%	0.445	S	S	*	.	H	α-helix	trans	-61.7	-30.7	-175.2	-50	0	0	0	0	111.9	H377	T373-H377 PolarHBondContact O-CD2 3.14Å; T373-H377 PolarHBondContact O-N 3.08Å; T373-H377 VanDerWaalsContact O-N 3.14Å
374	Q	79.2	Confident	75.3	Confident	130 Å²	130	80.1 Å²	80.1	61%	0.607	43%	0.431	S	S	*	.	H	α-helix	trans	-72.4	-46.1	-179	-178	178.4	-19	0	0	111.1	D372 Q376 H377 E378	D372-Q374 PolarHBondContact O-N 3.05Å; D372-Q374 WeakPolarHBondContact OD1-CA 3.38Å; D372-Q374 WeakPolarHBondContact OD1-CB 3.47Å; D372-Q374 PolarHBondContact OD1-N 3.14Å; Q374-Q376 VanDerWaalsContact C-N 3.29Å; Q374-Q376 PolarHBondContact O-N 3.22Å; Q374-H377 WeakPolarHBondContact O-CA 3.39Å; Q374-H377 WeakPolarHBondContact O-CB 3.36Å; Q374-H377 PolarHBondContact O-N 3.35Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.47Å; Q374-E378 PolarHBondContact NE2-OE1 2.7Å; Q374-E378 VanDerWaalsContact NE2-OE1 3.12Å; Q374-E378 WeakPolarHBondContact O-CG 3.49Å; Q374-E378 PolarHBondContact O-N 2.91Å
375	T	81.2	Confident	77.1	Confident	43 Å²	43	82.8 Å²	82.8	26%	0.264	44%	0.442	S	S	.	.	H	α-helix	trans	-61.1	-40.2	176.2	-49.2	0	0	0	0	110.3	L371 D372 H377 E378 E379	L371-T375 HydrophobicContact CD2-CG2 3.49Å; L371-T375 VanDerWaalsContact CD2-CG2 3.49Å; D372-T375 PolarHBondContact O-N 3.23Å; D372-T375 WeakPolarHBondContact OD1-CB 3.45Å; D372-T375 PolarHBondContact OD1-N 3.01Å; D372-T375 PolarHBondContact OD1-OG1 2.86Å; D372-T375 PolarHBondContact OD2-OG1 3.26Å; T375-H377 VanDerWaalsContact C-N 3.32Å; T375-H377 PolarHBondContact O-N 3.38Å; T375-E378 PolarHBondContact O-N 3.4Å; T375-E379 WeakPolarHBondContact O-CB 3.39Å; T375-E379 WeakPolarHBondContact O-CG 3.31Å; T375-E379 PolarHBondContact O-N 3.46Å
376	Q	80.9	Confident	78.8	Confident	35 Å²	35	81.6 Å²	81.6	16%	0.164	43%	0.432	C	S	.	.	H	α-helix	trans	-60.9	-39.4	172.9	-69.8	175.5	18.4	0	0	112.7	L371 D372 Q374 L380	L371-Q376 HydrophobicContact CB-CG 3.92Å; L371-Q376 PolarHBondContact O-NE2 2.92Å; D372-Q376 WeakPolarHBondContact O-CG 3.43Å; D372-Q376 PolarHBondContact O-N 3.43Å; D372-Q376 VanDerWaalsContact O-N 3.08Å; Q374-Q376 VanDerWaalsContact C-N 3.29Å; Q374-Q376 PolarHBondContact O-N 3.22Å; Q376-L380 VanDerWaalsContact O-CB 3.24Å; Q376-L380 WeakPolarHBondContact O-CB 3.33Å; Q376-L380 PolarHBondContact O-N 3.17Å
377	H	85.6	Confident	80.7	Confident	118 Å²	118	77.5 Å²	77.5	55%	0.546	40%	0.404	S	S	.	.	H	α-helix	trans	-67.4	-39.9	176.4	-84.6	-67.5	0	0	0	112.1	T373 Q374 T375 E381	T373-H377 PolarHBondContact O-CD2 3.14Å; T373-H377 PolarHBondContact O-N 3.08Å; T373-H377 VanDerWaalsContact O-N 3.14Å; Q374-H377 WeakPolarHBondContact O-CA 3.39Å; Q374-H377 WeakPolarHBondContact O-CB 3.36Å; Q374-H377 PolarHBondContact O-N 3.35Å; T375-H377 VanDerWaalsContact C-N 3.32Å; T375-H377 PolarHBondContact O-N 3.38Å; H377-E381 PolarHBondContact O-N 3.46Å
378	E	88.6	Confident	82.7	Confident	107 Å²	107	71.6 Å²	71.6	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-66.5	-46.3	177.1	-70.4	171.7	-169.6	0	0	111.6	Q374 T375 L380 E381 K382	Q374-E378 WeakPolarHBondContact CG-OE1 3.47Å; Q374-E378 PolarHBondContact NE2-OE1 2.7Å; Q374-E378 VanDerWaalsContact NE2-OE1 3.12Å; Q374-E378 WeakPolarHBondContact O-CG 3.49Å; Q374-E378 PolarHBondContact O-N 2.91Å; T375-E378 PolarHBondContact O-N 3.4Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 3.28Å; E378-E381 PolarHBondContact O-N 3.08Å; E378-K382 PolarHBondContact O-N 3.09Å
379	E	88.6	Confident	84.7	Confident	64 Å²	64	72.1 Å²	72.1	30%	0.299	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-41.4	174.3	-75.6	-179.4	178.7	0	0	112.5	Y345 T375 E381 K382 S383	Y345-E379 PolarHBondContact OH-OE2 2.93Å; T375-E379 WeakPolarHBondContact O-CB 3.39Å; T375-E379 WeakPolarHBondContact O-CG 3.31Å; T375-E379 PolarHBondContact O-N 3.46Å; E379-E381 VanDerWaalsContact C-N 3.35Å; E379-K382 PolarHBondContact O-N 3.31Å; E379-S383 WeakPolarHBondContact O-CB 3.38Å; E379-S383 PolarHBondContact O-N 3.28Å; E379-S383 PolarHBondContact O-OG 3.35Å
380	L	91.3	Very high	86.6	Confident	14 Å²	14	70.3 Å²	70.3	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-66.6	-37.4	177.7	-178.3	64.1	0	0	0	111.7	K338 L341 F342 Q376 E378 Y384	K338-L380 HydrophobicContact CB-CD2 4.29Å; K338-L380 HydrophobicContact CB-CG 4.48Å; K338-L380 HydrophobicContact CD-CD2 4.31Å; K338-L380 HydrophobicContact CD-CG 4.37Å; K338-L380 HydrophobicContact CG-CD2 4.4Å; K338-L380 HydrophobicContact CG-CG 4.22Å; L341-L380 HydrophobicContact CB-CD1 3.51Å; F342-L380 HydrophobicContact CB-CD1 4.23Å; F342-L380 HydrophobicContact CB-CD2 4.24Å; F342-L380 HydrophobicContact CD2-CD2 4.02Å; F342-L380 HydrophobicContact CG-CD2 4.46Å; Q376-L380 VanDerWaalsContact O-CB 3.24Å; Q376-L380 WeakPolarHBondContact O-CB 3.33Å; Q376-L380 PolarHBondContact O-N 3.17Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 3.28Å; L380-Y384 WeakPolarHBondContact O-CB 3.45Å; L380-Y384 PolarHBondContact O-N 2.95Å
381	E	94.1	Very high	88.5	Confident	57 Å²	57	63.8 Å²	63.8	27%	0.266	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-47.5	173.1	-176.8	60.6	-150.1	0	0	111	K338 H377 E378 E379 S383 Y384 Q385	K338-E381 WeakPolarHBondContact CE-OE2 3.1Å; K338-E381 IonicContact NZ-OE2 2.73Å; K338-E381 PolarHBondContact NZ-OE2 2.97Å; H377-E381 PolarHBondContact O-N 3.46Å; E378-E381 PolarHBondContact O-N 3.08Å; E379-E381 VanDerWaalsContact C-N 3.35Å; E381-S383 VanDerWaalsContact C-N 3.32Å; E381-S383 PolarHBondContact O-N 2.77Å; E381-Y384 WeakPolarHBondContact O-CB 3.47Å; E381-Y384 PolarHBondContact O-N 3.3Å; E381-Y384 VanDerWaalsContact O-N 3.09Å; E381-Q385 WeakPolarHBondContact O-CG 3.37Å; E381-Q385 PolarHBondContact O-N 3.19Å; E381-Q385 PolarHBondContact OE1-NE2 3.16Å
382	K	94.3	Very high	90.2	Very high	147 Å²	147	65.7 Å²	65.7	64%	0.639	32%	0.322	S	S	*	.	H	α-helix	trans	-56.3	-47.3	176.2	-172.6	-179.1	179.7	-175.8	0	111.4	E378 E379 Y384 Q385 L386	E378-K382 PolarHBondContact O-N 3.09Å; E379-K382 PolarHBondContact O-N 3.31Å; K382-Y384 VanDerWaalsContact C-N 3.3Å; K382-Y384 PolarHBondContact O-N 3.3Å; K382-Q385 PolarHBondContact O-N 3.35Å; K382-L386 HydrophobicContact CG-CD1 4.37Å; K382-L386 WeakPolarHBondContact O-CG 3.44Å; K382-L386 PolarHBondContact O-N 3.41Å
383	S	93.6	Very high	91.3	Very high	45 Å²	45	67.6 Å²	67.6	32%	0.315	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-36.1	177.1	-59.4	0	0	0	0	112.8	E379 E381 A387	E379-S383 WeakPolarHBondContact O-CB 3.38Å; E379-S383 PolarHBondContact O-N 3.28Å; E379-S383 PolarHBondContact O-OG 3.35Å; E381-S383 VanDerWaalsContact C-N 3.32Å; E381-S383 PolarHBondContact O-N 2.77Å; S383-A387 WeakPolarHBondContact O-CB 3.05Å; S383-A387 PolarHBondContact O-N 3.35Å; S383-A387 VanDerWaalsContact O-N 3.11Å
384	Y	96.4	Very high	92.4	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.027	30%	0.297	C	S	.	.	H	α-helix	trans	-67.5	-44.3	175.4	169.3	-102.6	0	0	0	111.7	Y333 R334 V337 K338 L380 E381 K382 A387 L388	Y333-Y384 HydrophobicContact CE1-CE2 4.21Å; R334-Y384 HydrophobicContact CB-CE1 4.36Å; R334-Y384 HydrophobicContact CB-CE2 4.11Å; R334-Y384 HydrophobicContact CG-CD1 4.2Å; R334-Y384 HydrophobicContact CG-CD2 4.39Å; R334-Y384 HydrophobicContact CG-CE1 3.74Å; R334-Y384 HydrophobicContact CG-CE2 3.94Å; V337-Y384 HydrophobicContact CB-CD2 3.95Å; V337-Y384 HydrophobicContact CB-CE2 3.98Å; V337-Y384 HydrophobicContact CG1-CD2 3.78Å; V337-Y384 HydrophobicContact CG1-CE2 4.17Å; V337-Y384 HydrophobicContact CG2-CE2 4.43Å; K338-Y384 HydrophobicContact CG-CD2 4.26Å; K338-Y384 HydrophobicContact CG-CG 4.24Å; L380-Y384 WeakPolarHBondContact O-CB 3.45Å; L380-Y384 PolarHBondContact O-N 2.95Å; E381-Y384 WeakPolarHBondContact O-CB 3.47Å; E381-Y384 PolarHBondContact O-N 3.3Å; E381-Y384 VanDerWaalsContact O-N 3.09Å; K382-Y384 VanDerWaalsContact C-N 3.3Å; K382-Y384 PolarHBondContact O-N 3.3Å; Y384-A387 PolarHBondContact O-N 3.46Å; Y384-L388 HydrophobicContact CE1-CD2 4.26Å; Y384-L388 WeakPolarHBondContact O-CB 3.39Å; Y384-L388 PolarHBondContact O-N 3.13Å
385	Q	96.9	Very high	93.2	Very high	85 Å²	85	58.7 Å²	58.7	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-42.9	179	-66.6	-60.3	-25.9	0	0	112	E381 K382 A387 L388 E389	E381-Q385 WeakPolarHBondContact O-CG 3.37Å; E381-Q385 PolarHBondContact O-N 3.19Å; E381-Q385 PolarHBondContact OE1-NE2 3.16Å; K382-Q385 PolarHBondContact O-N 3.35Å; Q385-A387 PolarHBondContact O-N 2.62Å; Q385-L388 WeakPolarHBondContact O-CB 3.47Å; Q385-L388 PolarHBondContact O-N 3.43Å; Q385-E389 PolarHBondContact O-N 3.39Å
386	L	95.3	Very high	93.9	Very high	89 Å²	89	62.7 Å²	62.7	47%	0.466	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-47.7	174.2	-70.3	171.7	0	0	0	111.6	K382 L388 E389 D390	K382-L386 HydrophobicContact CG-CD1 4.37Å; K382-L386 WeakPolarHBondContact O-CG 3.44Å; K382-L386 PolarHBondContact O-N 3.41Å; L386-L388 VanDerWaalsContact C-N 3.28Å; L386-L388 PolarHBondContact O-N 2.95Å; L386-E389 PolarHBondContact O-N 3.11Å; L386-D390 PolarHBondContact O-N 3.33Å
387	A	95.7	Very high	94.5	Very high	7 Å²	7	65.1 Å²	65.1	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-38	176.5	0	0	0	0	0	112.2	S383 Y384 Q385 Y391	S383-A387 WeakPolarHBondContact O-CB 3.05Å; S383-A387 PolarHBondContact O-N 3.35Å; S383-A387 VanDerWaalsContact O-N 3.11Å; Y384-A387 PolarHBondContact O-N 3.46Å; Q385-A387 PolarHBondContact O-N 2.62Å; A387-Y391 HydrophobicContact CB-CE2 4.49Å; A387-Y391 WeakPolarHBondContact O-CB 3.47Å; A387-Y391 VanDerWaalsContact O-CD1 3.24Å; A387-Y391 WeakPolarHBondContact O-CD1 3.37Å; A387-Y391 WeakPolarHBondContact O-CD2 3.29Å; A387-Y391 PolarHBondContact O-N 3.46Å
388	L	96.5	Very high	94.8	Very high	6 Å²	6	60 Å²	60	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-41.7	178.6	-170.7	68.4	0	0	0	111.8	L319 M324 Y333 Y384 Q385 L386 Y391 R392	L319-L388 HydrophobicContact CD1-CD1 3.72Å; L319-L388 HydrophobicContact CD2-CD1 3.75Å; L319-L388 HydrophobicContact CG-CD1 4.4Å; M324-L388 HydrophobicContact CE-CD1 4.5Å; Y333-L388 HydrophobicContact CE1-CD1 3.82Å; Y384-L388 HydrophobicContact CE1-CD2 4.26Å; Y384-L388 WeakPolarHBondContact O-CB 3.39Å; Y384-L388 PolarHBondContact O-N 3.13Å; Q385-L388 WeakPolarHBondContact O-CB 3.47Å; Q385-L388 PolarHBondContact O-N 3.43Å; L386-L388 VanDerWaalsContact C-N 3.28Å; L386-L388 PolarHBondContact O-N 2.95Å; L388-Y391 PolarHBondContact O-N 2.97Å; L388-R392 WeakPolarHBondContact O-CG 3.29Å; L388-R392 PolarHBondContact O-N 3.05Å
389	E	96.9	Very high	94.9	Very high	87 Å²	87	57.6 Å²	57.6	41%	0.407	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-49.5	175.2	-172.7	-179.5	171	0	0	111.3	Q385 L386 Y391 R392 R393	Q385-E389 PolarHBondContact O-N 3.39Å; L386-E389 PolarHBondContact O-N 3.11Å; E389-Y391 VanDerWaalsContact C-N 3.31Å; E389-Y391 PolarHBondContact O-N 2.75Å; E389-R392 PolarHBondContact O-N 2.94Å; E389-R393 WeakPolarHBondContact O-CG 3.45Å; E389-R393 PolarHBondContact O-N 3.33Å; E389-R393 IonicContact OE1-CZ 2.69Å; E389-R393 IonicContact OE1-NE 3.77Å; E389-R393 IonicContact OE1-NH2 3.64Å; E389-R393 PolarHBondContact OE1-NH2 3.05Å
390	D	96.6	Very high	94.7	Very high	36 Å²	36	59 Å²	59	19%	0.193	29%	0.291	C	S	.	.	H	α-helix	trans	-57.9	-44.6	176.9	-75.3	-21.1	0	0	0	111.8	K266 L386 R392 R393 V394	K266-D390 WeakPolarHBondContact CE-OD1 3.39Å; L386-D390 PolarHBondContact O-N 3.33Å; D390-R392 PolarHBondContact O-N 3.12Å; D390-R393 PolarHBondContact O-N 3.19Å; D390-V394 WeakPolarHBondContact O-CG2 3.09Å; D390-V394 PolarHBondContact O-N 3.03Å; D390-V394 VanDerWaalsContact O-N 3.07Å
391	Y	97.8	Very high	93.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.3	-37.1	179.9	-64.9	-8.5	0	0	0	112.3	E315 I316 Y333 R340 A387 L388 E389 V394 I395	E315-Y391 HydrophobicContact CB-CD2 4.36Å; E315-Y391 HydrophobicContact CB-CE2 3.56Å; E315-Y391 PolarHBondContact OE2-OH 2.59Å; I316-Y391 HydrophobicContact CD1-CD1 3.86Å; I316-Y391 HydrophobicContact CD1-CE1 4.04Å; I316-Y391 HydrophobicContact CG1-CD1 3.3Å; I316-Y391 HydrophobicContact CG1-CD2 4.1Å; I316-Y391 HydrophobicContact CG1-CE1 3.69Å; I316-Y391 HydrophobicContact CG1-CE2 4.45Å; I316-Y391 HydrophobicContact CG1-CG 3.52Å; Y333-Y391 VanDerWaalsContact OH-CD2 3.31Å; Y333-Y391 WeakPolarHBondContact OH-CD2 3.43Å; R340-Y391 PolarHBondContact NH2-OH 3.27Å; A387-Y391 HydrophobicContact CB-CE2 4.49Å; A387-Y391 WeakPolarHBondContact O-CB 3.47Å; A387-Y391 VanDerWaalsContact O-CD1 3.24Å; A387-Y391 WeakPolarHBondContact O-CD1 3.37Å; A387-Y391 WeakPolarHBondContact O-CD2 3.29Å; A387-Y391 PolarHBondContact O-N 3.46Å; L388-Y391 PolarHBondContact O-N 2.97Å; E389-Y391 VanDerWaalsContact C-N 3.31Å; E389-Y391 PolarHBondContact O-N 2.75Å; Y391-V394 PolarHBondContact O-N 3.13Å; Y391-I395 VanDerWaalsContact O-CG1 3.31Å; Y391-I395 WeakPolarHBondContact O-CG1 3.29Å; Y391-I395 PolarHBondContact O-N 3.27Å
392	R	97.2	Very high	91.9	Very high	115 Å²	115	68.4 Å²	68.4	43%	0.434	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-45.4	174.1	-76.7	173.3	177.6	152.9	-2.8	111.6	L319 L388 E389 D390 V394 I395 E396	L319-R392 HydrophobicContact CD2-CG 4.22Å; L388-R392 WeakPolarHBondContact O-CG 3.29Å; L388-R392 PolarHBondContact O-N 3.05Å; E389-R392 PolarHBondContact O-N 2.94Å; D390-R392 PolarHBondContact O-N 3.12Å; R392-V394 VanDerWaalsContact C-N 3.27Å; R392-V394 PolarHBondContact O-N 2.98Å; R392-I395 PolarHBondContact O-N 3.45Å; R392-E396 WeakPolarHBondContact O-CG 3.24Å; R392-E396 PolarHBondContact O-N 3.38Å
393	R	96.1	Very high	91.8	Very high	131 Å²	131	64.5 Å²	64.5	49%	0.494	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-40	175.6	-67	175.8	-175.9	-154.8	4.8	111.9	E389 D390 R397	E389-R393 WeakPolarHBondContact O-CG 3.45Å; E389-R393 PolarHBondContact O-N 3.33Å; E389-R393 IonicContact OE1-CZ 2.69Å; E389-R393 IonicContact OE1-NE 3.77Å; E389-R393 IonicContact OE1-NH2 3.64Å; E389-R393 PolarHBondContact OE1-NH2 3.05Å; D390-R393 PolarHBondContact O-N 3.19Å; R393-R397 WeakPolarHBondContact O-CB 3.35Å; R393-R397 PolarHBondContact O-N 2.87Å
394	V	96.9	Very high	91.7	Very high	9 Å²	9	65.5 Å²	65.5	6%	0.055	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-44.9	174.4	172.6	0	0	0	0	111.3	D269 Y270 T273 I316 D390 Y391 R392 R397 L398	D269-V394 HydrophobicContact CB-CG2 4.35Å; Y270-V394 HydrophobicContact CD2-CG1 4.4Å; T273-V394 HydrophobicContact CG2-CG1 4.4Å; I316-V394 HydrophobicContact CD1-CG1 4.41Å; I316-V394 HydrophobicContact CG2-CB 4.18Å; I316-V394 HydrophobicContact CG2-CG1 3.76Å; D390-V394 WeakPolarHBondContact O-CG2 3.09Å; D390-V394 PolarHBondContact O-N 3.03Å; D390-V394 VanDerWaalsContact O-N 3.07Å; Y391-V394 PolarHBondContact O-N 3.13Å; R392-V394 VanDerWaalsContact C-N 3.27Å; R392-V394 PolarHBondContact O-N 2.98Å; V394-R397 PolarHBondContact O-N 2.91Å; V394-L398 HydrophobicContact CG1-CD1 4.01Å; V394-L398 HydrophobicContact CG1-CG 4.47Å; V394-L398 VanDerWaalsContact O-CG 3.31Å; V394-L398 WeakPolarHBondContact O-CG 3.1Å; V394-L398 PolarHBondContact O-N 3.24Å
395	I	96.6	Very high	91.4	Very high	31 Å²	31	68.8 Å²	68.8	16%	0.159	36%	0.363	C	S	.	.	H	α-helix	trans	-64.2	-45.4	179.5	-66.2	164	0	0	0	111.2	I316 L319 R320 Y391 R392 R397 L398 A399	I316-I395 HydrophobicContact CG2-CG1 4.03Å; L319-I395 HydrophobicContact CB-CD1 4.09Å; L319-I395 HydrophobicContact CD2-CD1 3.85Å; L319-I395 HydrophobicContact CG-CD1 3.87Å; R320-I395 HydrophobicContact CB-CD1 3.84Å; R320-I395 HydrophobicContact CB-CG1 4.06Å; R320-I395 HydrophobicContact CB-CG2 4.38Å; R320-I395 HydrophobicContact CG-CG2 4.05Å; Y391-I395 VanDerWaalsContact O-CG1 3.31Å; Y391-I395 WeakPolarHBondContact O-CG1 3.29Å; Y391-I395 PolarHBondContact O-N 3.27Å; R392-I395 PolarHBondContact O-N 3.45Å; I395-R397 VanDerWaalsContact C-N 3.33Å; I395-R397 PolarHBondContact O-N 2.94Å; I395-L398 PolarHBondContact O-N 3.29Å; I395-A399 PolarHBondContact O-N 3.1Å
396	E	95.5	Very high	91.1	Very high	126 Å²	126	67.8 Å²	67.8	59%	0.589	36%	0.361	S	S	*	.	H	α-helix	trans	-58.3	-46	176.7	-73.2	167	-169.2	0	0	111.1	R392 L398 A399 S400	R392-E396 WeakPolarHBondContact O-CG 3.24Å; R392-E396 PolarHBondContact O-N 3.38Å; E396-L398 VanDerWaalsContact C-N 3.33Å; E396-L398 PolarHBondContact O-N 3.01Å; E396-A399 PolarHBondContact O-N 3.43Å; E396-A399 VanDerWaalsContact O-N 3.16Å; E396-S400 PolarHBondContact O-N 3.43Å
397	R	93.2	Very high	90.8	Very high	86 Å²	86	66.5 Å²	66.5	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-66.5	-32	177.4	-169.3	-180	174.8	176	3.5	113.4	Y270 R393 V394 I395 A399 S400	Y270-R397 HydrophobicContact CD2-CB 4.09Å; Y270-R397 HydrophobicContact CD2-CG 3.91Å; Y270-R397 HydrophobicContact CE2-CB 3.95Å; Y270-R397 HydrophobicContact CE2-CG 3.48Å; Y270-R397 VanDerWaalsContact CE2-CG 3.48Å; R393-R397 WeakPolarHBondContact O-CB 3.35Å; R393-R397 PolarHBondContact O-N 2.87Å; V394-R397 PolarHBondContact O-N 2.91Å; I395-R397 VanDerWaalsContact C-N 3.33Å; I395-R397 PolarHBondContact O-N 2.94Å; R397-A399 VanDerWaalsContact C-N 3.35Å; R397-S400 PolarHBondContact O-OG 2.63Å; R397-S400 VanDerWaalsContact O-OG 3.12Å
398	L	92.8	Very high	90.5	Very high	10 Å²	10	70.5 Å²	70.5	5%	0.052	37%	0.374	C	S	.	.	H	α-helix	trans	-70.4	-34.9	173.1	-73.2	168.9	0	0	0	111.5	Y270 T273 K274 V394 I395 E396 A402	Y270-L398 HydrophobicContact CD2-CD2 4.13Å; Y270-L398 HydrophobicContact CD2-CG 4.17Å; Y270-L398 HydrophobicContact CE2-CD2 3.73Å; Y270-L398 HydrophobicContact CE2-CG 4.02Å; T273-L398 HydrophobicContact CG2-CD1 3.51Å; K274-L398 HydrophobicContact CB-CD2 3.74Å; K274-L398 HydrophobicContact CG-CD2 4.22Å; V394-L398 HydrophobicContact CG1-CD1 4.01Å; V394-L398 HydrophobicContact CG1-CG 4.47Å; V394-L398 VanDerWaalsContact O-CG 3.31Å; V394-L398 WeakPolarHBondContact O-CG 3.1Å; V394-L398 PolarHBondContact O-N 3.24Å; I395-L398 PolarHBondContact O-N 3.29Å; E396-L398 VanDerWaalsContact C-N 3.33Å; E396-L398 PolarHBondContact O-N 3.01Å; L398-A402 PolarHBondContact O-N 3.31Å
399	A	90.9	Very high	90	Very high	57 Å²	57	75.1 Å²	75.1	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-72.5	-31.9	178.5	0	0	0	0	0	112.8	I395 E396 R397 Q401	I395-A399 PolarHBondContact O-N 3.1Å; E396-A399 PolarHBondContact O-N 3.43Å; E396-A399 VanDerWaalsContact O-N 3.16Å; R397-A399 VanDerWaalsContact C-N 3.35Å; A399-Q401 PolarHBondContact O-N 2.92Å
400	S	85.1	Confident	89.5	Confident	95 Å²	95	74.2 Å²	74.2	66%	0.664	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.2	177.6	66	0	0	0	0	114.5	E396 R397	E396-S400 PolarHBondContact O-N 3.43Å; R397-S400 PolarHBondContact O-OG 2.63Å; R397-S400 VanDerWaalsContact O-OG 3.12Å
401	Q	70.4	Confident	88.9	Confident	133 Å²	133	77.3 Å²	77.3	62%	0.621	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-0.8	178.7	-63.9	-134.5	-24.5	0	0	113.9	Y270 A399	Y270-Q401 PolarHBondContact OH-OE1 3.35Å; A399-Q401 PolarHBondContact O-N 2.92Å
402	A	54.8	Low	88.1	Confident	135 Å²	135	84.4 Å²	84.4	100%	1.116	45%	0.453	S	S	*	.			trans	-92.7	0	174.7	0	0	0	0	0	109.8	L398	L398-A402 PolarHBondContact O-N 3.31Å

Retrieved 402 of 402 residues in 668.7 ms (Link to these results)

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