ASF1A_HUMAN Loading...

Histone chaperone ASF1A

Histone chaperone that facilitates histone deposition and histone exchange and removal during nucleosome assembly and disassembly^{1,2,3,4,5,6,7}. Cooperates with chromatin assembly factor 1 (CAF-1) to promote replication-dependent chromatin assembly and with HIRA to promote replication-independent chromatin assembly^8,9,10. Promotes homologous recombination-mediated repair of double-strand breaks (DSBs) at stalled or collapsed replication forks: acts by mediating histone replacement at DSBs, leading to recruitment of the MMS22L-TONSL complex and subsequent loading of RAD51¹¹. Also involved in the nuclear import of the histone H3-H4 dimer together with importin-4 (IPO4): specifically recognizes and binds newly synthesized histones with the monomethylation of H3 'Lys-9' and acetylation at 'Lys-14' (H3K9me1K14ac) marks, and diacetylation at 'Lys-5' and 'Lys-12' of H4 (H4K5K12ac) marks in the cytosol^12,13. Required for the formation of senescence-associated heterochromatin foci (SAHF) and efficient senescence-associated cell cycle exit¹⁴.

AlphaFold DB , UniProt , Accession Q9Y294, Species HUMAN (Homo sapiens, Human), Gene ASF1A, Length 204 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	80.7	Confident	94.3	Very high	204 Å²	204	54.2 Å²	54.2	100%	1.005	29%	0.292	S	S	*	.				0	153.7	0	-178.1	173.9	-93.5	0	0	107.2	K3 I31	M1-K3 PolarHBondContact O-N 3.32Å; M1-I31 HydrophobicContact SD-CD1 4.3Å
2	A	90.2	Very high	94.6	Very high	38 Å²	38	54 Å²	54	31%	0.314	29%	0.29	S	S	.	.			trans	-66	128.3	174	0	0	0	0	0	109.6	V4 I31 W153	A2-V4 VanDerWaalsContact C-N 3.33Å; A2-I31 VanDerWaalsContact O-CD1 3.29Å; A2-I31 WeakPolarHBondContact O-CD1 3.19Å; A2-W153 HydrophobicContact CB-CZ2 3.76Å
3	K	94.1	Very high	94.8	Very high	18 Å²	18	55.5 Å²	55.5	8%	0.078	30%	0.298	C	S	.	.	S	Bend	trans	-78.1	-22.2	179	-59.8	-177.9	179.2	-172.7	0	112	M1 C30 I31 E32 L34 W153 E154	M1-K3 PolarHBondContact O-N 3.32Å; K3-C30 CarbonylContact O-C 3.56Å; K3-C30 WeakPolarHBondContact O-CA 3.08Å; K3-I31 PolarHBondContact O-N 3.11Å; K3-E32 HydrophobicContact CB-CG 4.32Å; K3-E32 HydrophobicContact CD-CG 3.74Å; K3-E32 WeakPolarHBondContact CD-OE1 3.44Å; K3-E32 WeakPolarHBondContact CE-OE1 3.3Å; K3-E32 HydrophobicContact CG-CG 4.07Å; K3-E32 IonicContact NZ-OE1 3.01Å; K3-E32 PolarHBondContact NZ-OE1 3.46Å; K3-L34 HydrophobicContact CB-CD2 3.95Å; K3-L34 HydrophobicContact CD-CD2 3.93Å; K3-W153 HydrophobicContact CB-CD2 3.92Å; K3-W153 HydrophobicContact CB-CE3 3.57Å; K3-W153 HydrophobicContact CB-CH2 4.47Å; K3-W153 HydrophobicContact CB-CZ3 3.87Å; K3-W153 HydrophobicContact CD-CB 3.68Å; K3-W153 HydrophobicContact CD-CD2 4.18Å; K3-W153 HydrophobicContact CD-CE3 4Å; K3-W153 HydrophobicContact CD-CG 4.09Å; K3-W153 VanDerWaalsContact CE-CB 3.43Å; K3-W153 HydrophobicContact CG-CB 4.02Å; K3-W153 HydrophobicContact CG-CD2 3.8Å; K3-W153 HydrophobicContact CG-CE3 3.83Å; K3-W153 HydrophobicContact CG-CG 3.9Å; K3-E154 WeakPolarHBondContact CE-OE1 3.11Å; K3-E154 IonicContact NZ-OE1 2.92Å; K3-E154 PolarHBondContact NZ-OE1 3.41Å; K3-E154 IonicContact NZ-OE2 3.69Å; K3-E154 PolarHBondContact NZ-OE2 3.01Å; K3-E154 VanDerWaalsContact NZ-OE2 3.07Å
4	V	96	Very high	95.1	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.5	177.7	-178.4	0	0	0	0	110.9	A2 F28 E29 L34 L38 F106 W153	A2-V4 VanDerWaalsContact C-N 3.33Å; V4-F28 HydrophobicContact CG1-CB 4.37Å; V4-F28 HydrophobicContact CG1-CD2 3.83Å; V4-F28 HydrophobicContact CG1-CG 4.43Å; V4-E29 CarbonylContact C-O 3.56Å; V4-E29 WeakPolarHBondContact CA-O 3.39Å; V4-L34 HydrophobicContact CG2-CD1 3.64Å; V4-L38 HydrophobicContact CG1-CD1 4.22Å; V4-L38 HydrophobicContact CG2-CD1 4.06Å; V4-L38 HydrophobicContact CG2-CD2 4.14Å; V4-F106 HydrophobicContact CB-CE2 3.84Å; V4-F106 HydrophobicContact CB-CZ 3.87Å; V4-F106 HydrophobicContact CG1-CE2 3.98Å; V4-F106 HydrophobicContact CG1-CZ 3.9Å; V4-W153 HydrophobicContact CB-CH2 3.87Å; V4-W153 HydrophobicContact CB-CZ3 4.21Å; V4-W153 HydrophobicContact CG2-CH2 4.02Å; V4-W153 HydrophobicContact CG2-CZ3 3.83Å
5	Q	95.1	Very high	95.2	Very high	89 Å²	89	55.8 Å²	55.8	42%	0.416	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.6	174.2	179.4	173.2	-54	0	0	110.6	N7 F28 E29	Q5-N7 PolarHBondContact NE2-OD1 3.22Å; Q5-N7 PolarHBondContact O-N 2.57Å; Q5-F28 CarbonylContact O-C 3.59Å; Q5-F28 VanDerWaalsContact O-CA 3.26Å; Q5-F28 WeakPolarHBondContact O-CA 3.15Å; Q5-F28 WeakPolarHBondContact O-CB 3.46Å; Q5-E29 PolarHBondContact N-O 3.37Å; Q5-E29 PolarHBondContact O-N 2.77Å
6	V	96.5	Very high	95.4	Very high	13 Å²	13	52.5 Å²	52.5	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.8	169.7	-172.5	0	0	0	0	108.9	V9 I26 F28 W40 I107	V6-V9 HydrophobicContact CG1-CG2 3.87Å; V6-I26 HydrophobicContact CG1-CG2 4.33Å; V6-F28 HydrophobicContact CG2-CB 4.33Å; V6-W40 HydrophobicContact CG2-CH2 3.61Å; V6-W40 HydrophobicContact CG2-CZ3 4.3Å; V6-I107 HydrophobicContact CB-CD1 3.71Å; V6-I107 HydrophobicContact CG2-CD1 3.61Å; V6-I107 HydrophobicContact CG2-CG2 3.98Å
7	N	95.1	Very high	95.6	Very high	62 Å²	62	53.5 Å²	53.5	33%	0.332	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-40.7	-173.5	-75.1	-27.6	0	0	0	111.9	Q5 T27 E29	Q5-N7 PolarHBondContact NE2-OD1 3.22Å; Q5-N7 PolarHBondContact O-N 2.57Å; N7-T27 HydrophobicContact CB-CG2 4.28Å; N7-T27 PolarHBondContact N-O 3.15Å; N7-E29 WeakPolarHBondContact ND2-CB 3.49Å; N7-E29 PolarHBondContact ND2-OE2 3.11Å
8	N	95.6	Very high	95.7	Very high	83 Å²	83	50.6 Å²	50.6	44%	0.444	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	149.6	179.2	-165.3	26.3	0	0	0	111.1	V10 T27	N8-V10 VanDerWaalsContact ND2-CG2 3.31Å; N8-V10 WeakPolarHBondContact ND2-CG2 3.06Å; N8-T27 PolarHBondContact N-O 3.07Å; N8-T27 VanDerWaalsContact N-O 3.13Å; N8-T27 PolarHBondContact O-N 3.26Å
9	V	97.6	Very high	95.9	Very high	17 Å²	17	54.4 Å²	54.4	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	112.7	169.9	-179.7	0	0	0	0	107.3	V6 F24 E25 I26 I97 Y111	V6-V9 HydrophobicContact CG1-CG2 3.87Å; V9-F24 HydrophobicContact CG1-CB 4.18Å; V9-F24 HydrophobicContact CG1-CD1 4.01Å; V9-F24 HydrophobicContact CG1-CG 4.44Å; V9-E25 WeakPolarHBondContact CA-O 3.27Å; V9-I26 HydrophobicContact CG1-CG1 4.38Å; V9-I26 HydrophobicContact CG2-CG1 4.44Å; V9-I97 HydrophobicContact CG1-CD1 3.77Å; V9-Y111 HydrophobicContact CG1-CE2 4.12Å; V9-Y111 PolarHBondContact O-OH 2.8Å
10	V	98	Very high	96	Very high	50 Å²	50	54.3 Å²	54.3	30%	0.303	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124	177.3	-173	0	0	0	0	108.6	N8 L12 F24 E25	N8-V10 VanDerWaalsContact ND2-CG2 3.31Å; N8-V10 WeakPolarHBondContact ND2-CG2 3.06Å; V10-L12 HydrophobicContact CB-CD2 4.43Å; V10-L12 HydrophobicContact CG1-CD2 3.92Å; V10-F24 CarbonylContact O-C 3.4Å; V10-F24 WeakPolarHBondContact O-CA 3.37Å; V10-E25 HydrophobicContact CB-CB 4.16Å; V10-E25 PolarHBondContact N-O 2.96Å; V10-E25 PolarHBondContact O-N 3.47Å
11	V	98.3	Very high	96.1	Very high	20 Å²	20	53.2 Å²	53.2	12%	0.121	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.5	172.8	-171.7	0	0	0	0	108.5	N14 F24 Y111 I139 A141	V11-N14 HydrophobicContact CG1-CB 3.87Å; V11-F24 HydrophobicContact CB-CD1 4.5Å; V11-F24 HydrophobicContact CB-CE1 4.5Å; V11-F24 HydrophobicContact CG1-CD1 4.49Å; V11-F24 HydrophobicContact CG1-CE1 4.2Å; V11-F24 HydrophobicContact CG2-CD1 4.05Å; V11-F24 HydrophobicContact CG2-CE1 3.9Å; V11-Y111 HydrophobicContact CG2-CD1 4.42Å; V11-Y111 HydrophobicContact CG2-CE1 4.02Å; V11-Y111 HydrophobicContact CG2-CE2 4.26Å; V11-I139 HydrophobicContact CG1-CB 4.01Å; V11-I139 HydrophobicContact CG1-CD1 3.66Å; V11-I139 HydrophobicContact CG1-CG1 4.38Å; V11-I139 HydrophobicContact CG1-CG2 4.07Å; V11-I139 HydrophobicContact CG2-CG2 4.11Å; V11-A141 HydrophobicContact CB-CB 3.9Å; V11-A141 HydrophobicContact CG2-CB 3.62Å
12	L	98.1	Very high	97	Very high	52 Å²	52	43.6 Å²	43.6	27%	0.272	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-94.6	164.7	177.1	-48.6	178.5	0	0	0	110	V10 N14 Q23 E25 V73	V10-L12 HydrophobicContact CB-CD2 4.43Å; V10-L12 HydrophobicContact CG1-CD2 3.92Å; L12-N14 PolarHBondContact O-N 3.46Å; L12-Q23 HydrophobicContact CB-CB 3.77Å; L12-Q23 HydrophobicContact CD1-CB 4.37Å; L12-Q23 HydrophobicContact CG-CB 4.46Å; L12-Q23 PolarHBondContact N-O 3.49Å; L12-E25 HydrophobicContact CD1-CB 4.28Å; L12-E25 HydrophobicContact CD2-CB 4.44Å; L12-E25 HydrophobicContact CG-CB 4.47Å; L12-V73 HydrophobicContact CD1-CG1 4.22Å; L12-V73 HydrophobicContact CD1-CG2 4.49Å
13	D	97.7	Very high	97.3	Very high	73 Å²	73	44 Å²	44	39%	0.39	23%	0.234	S	C	.	.	S	Bend	trans	45.8	56.1	177.5	-167.1	38	0	0	0	114	S16 N20	D13-S16 WeakPolarHBondContact O-CB 2.84Å; D13-S16 PolarHBondContact O-OG 3.29Å; D13-N20 PolarHBondContact OD2-ND2 3.23Å
14	N	97.8	Very high	97.5	Very high	51 Å²	51	43.1 Å²	43.1	27%	0.273	23%	0.23	S	C	.	.			trans	-137.1	131.1	-174.5	-176.3	62.7	0	0	0	112.4	V11 L12 I139	V11-N14 HydrophobicContact CG1-CB 3.87Å; L12-N14 PolarHBondContact O-N 3.46Å; N14-I139 PolarHBondContact ND2-O 2.71Å; N14-I139 PolarHBondContact OD1-N 3.14Å
15	P	97.5	Very high	97.7	Very high	65 Å²	65	45.7 Å²	45.7	42%	0.422	24%	0.242	S	C	.	.	S	Bend	cis	-71	156.5	-5.1	32.9	-36.7	0	0	0	112.3	Q136 R137 N138	P15-Q136 HydrophobicContact CB-CG 3.96Å; P15-R137 WeakPolarHBondContact CA-O 3.14Å; P15-N138 HydrophobicContact CB-CB 4.07Å
16	S	98.2	Very high	97.8	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.9	-179	46.3	0	0	0	0	112.3	D13 R137	D13-S16 WeakPolarHBondContact O-CB 2.84Å; D13-S16 PolarHBondContact O-OG 3.29Å; S16-R137 PolarHBondContact N-O 3.46Å; S16-R137 PolarHBondContact O-N 2.94Å; S16-R137 PolarHBondContact OG-NH2 3.35Å
17	P	98.4	Very high	97.8	Very high	70 Å²	70	41.1 Å²	41.1	46%	0.455	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	147.6	171.1	-26.2	35.1	0	0	0	112.2	Y19 N20	P17-Y19 PolarHBondContact O-N 2.92Å; P17-Y19 VanDerWaalsContact O-N 3.14Å; P17-N20 WeakPolarHBondContact O-CB 3.16Å; P17-N20 PolarHBondContact O-N 3.01Å
18	F	98.3	Very high	97.9	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-40.8	-177.5	179.8	-86.5	0	0	0	113.4	N20 A78 P79 P81 I84 F132 L135 R137	F18-N20 VanDerWaalsContact C-N 3.27Å; F18-N20 PolarHBondContact O-N 2.93Å; F18-A78 VanDerWaalsContact O-CB 3.27Å; F18-A78 WeakPolarHBondContact O-CB 3.43Å; F18-P79 HydrophobicContact CE1-CG 4.13Å; F18-P79 HydrophobicContact CE2-CG 4.32Å; F18-P79 HydrophobicContact CZ-CG 3.6Å; F18-P81 HydrophobicContact CE1-CG 4Å; F18-I84 HydrophobicContact CE2-CD1 4.39Å; F18-I84 HydrophobicContact CZ-CD1 3.77Å; F18-F132 HydrophobicContact CD1-CB 4.11Å; F18-F132 AromaticContact CD1-CD1 3.78Å; F18-F132 HydrophobicContact CD1-CD1 3.78Å; F18-F132 HydrophobicContact CD1-CG 4.42Å; F18-F132 AromaticContact CD2-CD1 4Å; F18-F132 HydrophobicContact CD2-CD1 4Å; F18-F132 HydrophobicContact CE1-CB 4.46Å; F18-F132 AromaticContact CE1-CD1 3.5Å; F18-F132 HydrophobicContact CE1-CD1 3.5Å; F18-F132 VanDerWaalsContact CE1-CD1 3.5Å; F18-F132 HydrophobicContact CE1-CE1 4.11Å; F18-F132 HydrophobicContact CE1-CG 4.34Å; F18-F132 AromaticContact CE2-CD1 3.69Å; F18-F132 HydrophobicContact CE2-CD1 3.69Å; F18-F132 AromaticContact CE2-CE1 3.9Å; F18-F132 HydrophobicContact CE2-CE1 3.9Å; F18-F132 HydrophobicContact CG-CD1 4.02Å; F18-F132 AromaticContact CZ-CD1 3.42Å; F18-F132 HydrophobicContact CZ-CD1 3.42Å; F18-F132 VanDerWaalsContact CZ-CD1 3.42Å; F18-F132 AromaticContact CZ-CE1 3.62Å; F18-F132 HydrophobicContact CZ-CE1 3.62Å; F18-L135 HydrophobicContact CB-CB 3.93Å; F18-L135 PolarHBondContact N-O 3.37Å; F18-R137 PolarHBondContact O-NH1 3.27Å
19	Y	98.4	Very high	98	Very high	122 Å²	122	38.3 Å²	38.3	48%	0.478	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.4	-179.2	-68.1	-64.2	0	0	0	114.7	P17 P81 F132	P17-Y19 PolarHBondContact O-N 2.92Å; P17-Y19 VanDerWaalsContact O-N 3.14Å; Y19-P81 HydrophobicContact CE1-CG 3.56Å; Y19-F132 HydrophobicContact CE2-CB 3.98Å; Y19-F132 WeakPolarHBondContact OH-CB 3.31Å
20	N	98.2	Very high	97.9	Very high	53 Å²	53	37.6 Å²	37.6	28%	0.283	20%	0.198	S	C	.	.	S	Bend	trans	-67.6	142.8	173.5	-85	30.9	0	0	0	109.9	D13 P17 F18 R137	D13-N20 PolarHBondContact OD2-ND2 3.23Å; P17-N20 WeakPolarHBondContact O-CB 3.16Å; P17-N20 PolarHBondContact O-N 3.01Å; F18-N20 VanDerWaalsContact C-N 3.27Å; F18-N20 PolarHBondContact O-N 2.93Å; N20-R137 PolarHBondContact O-NH1 3.08Å; N20-R137 PolarHBondContact O-NH2 3.3Å
21	P	98.5	Very high	97.8	Very high	32 Å²	32	39.8 Å²	39.8	21%	0.208	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-54.6	146.2	172.1	-26.3	35.5	0	0	0	112.3	Q75 A76 R137	P21-Q75 HydrophobicContact CB-CG 3.67Å; P21-A76 CarbonylContact C-O 3.57Å; P21-A76 WeakPolarHBondContact CA-O 3.38Å; P21-A76 VanDerWaalsContact CB-O 3.29Å; P21-A76 WeakPolarHBondContact CB-O 3.29Å; P21-R137 PolarHBondContact O-NH2 3.14Å
22	F	98.5	Very high	97.5	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.8	163.5	-73.6	-98.8	0	0	0	108.8	F24 Y44 L57 Q75 A76 V95 I139	F22-F24 HydrophobicContact CB-CD2 4.48Å; F22-F24 HydrophobicContact CB-CE2 3.84Å; F22-F24 HydrophobicContact CB-CZ 4.48Å; F22-F24 HydrophobicContact CD1-CE2 4.07Å; F22-F24 AromaticContact CD1-CZ 3.94Å; F22-F24 HydrophobicContact CD1-CZ 3.94Å; F22-F24 HydrophobicContact CG-CE2 4.38Å; F22-Y44 HydrophobicContact CE2-CD2 4.22Å; F22-Y44 AromaticContact CZ-CD2 3.69Å; F22-Y44 HydrophobicContact CZ-CD2 3.69Å; F22-Y44 AromaticContact CZ-CE2 3.87Å; F22-Y44 HydrophobicContact CZ-CE2 3.87Å; F22-L57 HydrophobicContact CD2-CD1 3.42Å; F22-L57 VanDerWaalsContact CD2-CD1 3.42Å; F22-L57 HydrophobicContact CE2-CD1 3.54Å; F22-L57 HydrophobicContact CG-CD1 4.19Å; F22-L57 HydrophobicContact CZ-CD1 4.36Å; F22-Q75 CarbonylContact O-C 3.58Å; F22-Q75 WeakPolarHBondContact O-CA 3.32Å; F22-Q75 WeakPolarHBondContact O-CG 3.26Å; F22-A76 PolarHBondContact N-O 3.31Å; F22-A76 PolarHBondContact O-N 3.05Å; F22-V95 HydrophobicContact CD1-CG2 4.11Å; F22-V95 HydrophobicContact CE1-CB 4.05Å; F22-V95 HydrophobicContact CE1-CG1 4.09Å; F22-V95 HydrophobicContact CE1-CG2 3.9Å; F22-V95 HydrophobicContact CZ-CG2 4.47Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.74Å; F22-I139 HydrophobicContact CE1-CG1 4.39Å
23	Q	98.4	Very high	97.3	Very high	47 Å²	47	45.8 Å²	45.8	22%	0.22	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	118.6	179	-69.6	176.6	63.6	0	0	109.8	L12 Q75	L12-Q23 HydrophobicContact CB-CB 3.77Å; L12-Q23 HydrophobicContact CD1-CB 4.37Å; L12-Q23 HydrophobicContact CG-CB 4.46Å; L12-Q23 PolarHBondContact N-O 3.49Å; Q23-Q75 HydrophobicContact CG-CB 4.21Å; Q23-Q75 HydrophobicContact CG-CG 3.82Å
24	F	98.4	Very high	97.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.9	178.7	-59.3	-76.3	0	0	0	110.4	V9 V10 V11 F22 I26 I42 V73 F74 V95 I97 Y111 I139	V9-F24 HydrophobicContact CG1-CB 4.18Å; V9-F24 HydrophobicContact CG1-CD1 4.01Å; V9-F24 HydrophobicContact CG1-CG 4.44Å; V10-F24 CarbonylContact O-C 3.4Å; V10-F24 WeakPolarHBondContact O-CA 3.37Å; V11-F24 HydrophobicContact CB-CD1 4.5Å; V11-F24 HydrophobicContact CB-CE1 4.5Å; V11-F24 HydrophobicContact CG1-CD1 4.49Å; V11-F24 HydrophobicContact CG1-CE1 4.2Å; V11-F24 HydrophobicContact CG2-CD1 4.05Å; V11-F24 HydrophobicContact CG2-CE1 3.9Å; F22-F24 HydrophobicContact CB-CD2 4.48Å; F22-F24 HydrophobicContact CB-CE2 3.84Å; F22-F24 HydrophobicContact CB-CZ 4.48Å; F22-F24 HydrophobicContact CD1-CE2 4.07Å; F22-F24 AromaticContact CD1-CZ 3.94Å; F22-F24 HydrophobicContact CD1-CZ 3.94Å; F22-F24 HydrophobicContact CG-CE2 4.38Å; F24-I26 HydrophobicContact CB-CG1 4.18Å; F24-I42 HydrophobicContact CD2-CD1 3.72Å; F24-I42 HydrophobicContact CD2-CG1 4.19Å; F24-I42 HydrophobicContact CE2-CD1 3.97Å; F24-I42 HydrophobicContact CE2-CG1 4.18Å; F24-I42 HydrophobicContact CE2-CG2 4.22Å; F24-V73 CarbonylContact O-C 3.57Å; F24-V73 WeakPolarHBondContact O-CA 3.38Å; F24-F74 PolarHBondContact N-O 2.86Å; F24-F74 PolarHBondContact O-N 2.88Å; F24-V95 HydrophobicContact CZ-CG1 4.13Å; F24-V95 HydrophobicContact CZ-CG2 4.43Å; F24-I97 HydrophobicContact CB-CD1 4.09Å; F24-I97 HydrophobicContact CD1-CD1 3.66Å; F24-I97 HydrophobicContact CD2-CD1 3.75Å; F24-I97 HydrophobicContact CD2-CG1 4.21Å; F24-I97 HydrophobicContact CE1-CD1 3.92Å; F24-I97 HydrophobicContact CE2-CD1 3.99Å; F24-I97 HydrophobicContact CE2-CG1 4.16Å; F24-I97 HydrophobicContact CG-CD1 3.56Å; F24-I97 HydrophobicContact CG-CG1 4.5Å; F24-I97 HydrophobicContact CZ-CD1 4.07Å; F24-I97 HydrophobicContact CZ-CG1 4.41Å; F24-Y111 HydrophobicContact CE1-CD2 4.21Å; F24-Y111 HydrophobicContact CE1-CE2 4.26Å; F24-I139 HydrophobicContact CZ-CD1 4.39Å
25	E	98.2	Very high	96.8	Very high	56 Å²	56	44.6 Å²	44.6	26%	0.262	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.4	166.2	-175.9	-174.7	90	0	0	108.5	V9 V10 L12 M71	V9-E25 WeakPolarHBondContact CA-O 3.27Å; V10-E25 HydrophobicContact CB-CB 4.16Å; V10-E25 PolarHBondContact N-O 2.96Å; V10-E25 PolarHBondContact O-N 3.47Å; L12-E25 HydrophobicContact CD1-CB 4.28Å; L12-E25 HydrophobicContact CD2-CB 4.44Å; L12-E25 HydrophobicContact CG-CB 4.47Å; E25-M71 HydrophobicContact CG-CG 3.85Å; E25-M71 HydrophobicContact CG-SD 3.92Å
26	I	98	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123	-176	-59.1	177.5	0	0	0	108.4	V6 V9 F24 F28 W40 M71 F72 F74 I97	V6-I26 HydrophobicContact CG1-CG2 4.33Å; V9-I26 HydrophobicContact CG1-CG1 4.38Å; V9-I26 HydrophobicContact CG2-CG1 4.44Å; F24-I26 HydrophobicContact CB-CG1 4.18Å; I26-F28 HydrophobicContact CG2-CD1 4.39Å; I26-W40 HydrophobicContact CD1-CE3 3.85Å; I26-W40 HydrophobicContact CD1-CZ3 3.91Å; I26-W40 HydrophobicContact CG2-CH2 3.57Å; I26-W40 HydrophobicContact CG2-CZ2 4.2Å; I26-W40 HydrophobicContact CG2-CZ3 3.8Å; I26-M71 VanDerWaalsContact O-CA 3.26Å; I26-M71 WeakPolarHBondContact O-CA 3.29Å; I26-F72 HydrophobicContact CB-CD1 4.28Å; I26-F72 HydrophobicContact CB-CE1 3.86Å; I26-F72 HydrophobicContact CB-CZ 4.22Å; I26-F72 HydrophobicContact CD1-CE1 4.38Å; I26-F72 HydrophobicContact CD1-CE2 4.46Å; I26-F72 HydrophobicContact CD1-CZ 3.89Å; I26-F72 HydrophobicContact CG2-CE1 4.01Å; I26-F72 PolarHBondContact N-O 3.45Å; I26-F72 PolarHBondContact O-N 3.41Å; I26-F74 HydrophobicContact CD1-CB 4.02Å; I26-F74 HydrophobicContact CD1-CD1 3.99Å; I26-I97 HydrophobicContact CD1-CG2 3.95Å
27	T	97.6	Very high	96.5	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.1	169.9	-58.6	0	0	0	0	109.6	N7 N8 R69 H70	N7-T27 HydrophobicContact CB-CG2 4.28Å; N7-T27 PolarHBondContact N-O 3.15Å; N8-T27 PolarHBondContact N-O 3.07Å; N8-T27 VanDerWaalsContact N-O 3.13Å; N8-T27 PolarHBondContact O-N 3.26Å; T27-R69 HydrophobicContact CG2-CG 4.11Å; T27-R69 VanDerWaalsContact CG2-NE 3.25Å; T27-H70 WeakPolarHBondContact CA-O 3.38Å
28	F	97.4	Very high	96.5	Very high	2 Å²	2	45 Å²	45	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.6	176.1	69.4	-88.3	0	0	0	111.3	V4 Q5 V6 I26 L38 W40 V62 V65 R69 H70 F72	V4-F28 HydrophobicContact CG1-CB 4.37Å; V4-F28 HydrophobicContact CG1-CD2 3.83Å; V4-F28 HydrophobicContact CG1-CG 4.43Å; Q5-F28 CarbonylContact O-C 3.59Å; Q5-F28 VanDerWaalsContact O-CA 3.26Å; Q5-F28 WeakPolarHBondContact O-CA 3.15Å; Q5-F28 WeakPolarHBondContact O-CB 3.46Å; V6-F28 HydrophobicContact CG2-CB 4.33Å; I26-F28 HydrophobicContact CG2-CD1 4.39Å; F28-L38 HydrophobicContact CE2-CD1 4.02Å; F28-L38 HydrophobicContact CZ-CD1 4.32Å; F28-W40 AromaticContact CD1-CZ2 3.93Å; F28-W40 HydrophobicContact CD1-CZ2 3.93Å; F28-W40 HydrophobicContact CE1-CZ2 4.31Å; F28-W40 HydrophobicContact CG-CZ2 4.25Å; F28-V62 HydrophobicContact CZ-CG1 4.3Å; F28-V65 HydrophobicContact CE2-CG1 3.77Å; F28-V65 HydrophobicContact CZ-CG1 4.27Å; F28-R69 WeakPolarHBondContact O-CA 3.09Å; F28-H70 HydrophobicContact CD1-CB 4.17Å; F28-H70 HydrophobicContact CD2-CB 4.3Å; F28-H70 HydrophobicContact CE1-CB 3.65Å; F28-H70 HydrophobicContact CE2-CB 3.8Å; F28-H70 AromaticContact CE2-CD2 3.65Å; F28-H70 HydrophobicContact CG-CB 4.47Å; F28-H70 HydrophobicContact CZ-CB 3.46Å; F28-H70 VanDerWaalsContact CZ-CB 3.46Å; F28-H70 AromaticContact CZ-CG 3.96Å; F28-H70 PolarHBondContact N-O 2.79Å; F28-H70 PolarHBondContact O-N 2.81Å; F28-H70 VanDerWaalsContact O-O 3.12Å; F28-F72 HydrophobicContact CD1-CD1 4.36Å; F28-F72 HydrophobicContact CD1-CE1 4.11Å; F28-F72 AromaticContact CE1-CD1 3.85Å; F28-F72 HydrophobicContact CE1-CD1 3.85Å; F28-F72 AromaticContact CE1-CE1 3.75Å; F28-F72 HydrophobicContact CE1-CE1 3.75Å
29	E	96.9	Very high	96.5	Very high	85 Å²	85	47.3 Å²	47.3	40%	0.397	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132	178.7	177.8	173.4	-170.4	0	0	109.3	V4 Q5 N7 G68	V4-E29 CarbonylContact C-O 3.56Å; V4-E29 WeakPolarHBondContact CA-O 3.39Å; Q5-E29 PolarHBondContact N-O 3.37Å; Q5-E29 PolarHBondContact O-N 2.77Å; N7-E29 WeakPolarHBondContact ND2-CB 3.49Å; N7-E29 PolarHBondContact ND2-OE2 3.11Å; E29-G68 CarbonylContact C-O 3.56Å; E29-G68 WeakPolarHBondContact CA-O 3.46Å
30	C	95.8	Very high	96.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.1	175	-152.9	0	0	0	0	108.6	K3 E32 V65 A67 G68	K3-C30 CarbonylContact O-C 3.56Å; K3-C30 WeakPolarHBondContact O-CA 3.08Å; C30-E32 PolarHBondContact SG-O 2.97Å; C30-V65 HydrophobicContact CB-CG1 3.89Å; C30-A67 CarbonylContact O-C 3.59Å; C30-A67 WeakPolarHBondContact O-CA 3.32Å; C30-G68 PolarHBondContact N-O 2.62Å; C30-G68 PolarHBondContact O-N 2.97Å
31	I	94.8	Very high	96.5	Very high	95 Å²	95	41.6 Å²	41.6	49%	0.487	22%	0.215	S	C	.	.	S	Bend	trans	-73.8	-34.3	-176.5	-61.1	178.5	0	0	0	110.9	M1 A2 K3	M1-I31 HydrophobicContact SD-CD1 4.3Å; A2-I31 VanDerWaalsContact O-CD1 3.29Å; A2-I31 WeakPolarHBondContact O-CD1 3.19Å; K3-I31 PolarHBondContact O-N 3.11Å
32	E	93.5	Very high	96.5	Very high	85 Å²	85	40 Å²	40	40%	0.397	21%	0.205	S	C	.	.	S	Bend	trans	-144.6	167.7	-179.3	60.3	-179.6	-127.1	0	0	110.4	K3 C30 L34	K3-E32 HydrophobicContact CB-CG 4.32Å; K3-E32 HydrophobicContact CD-CG 3.74Å; K3-E32 WeakPolarHBondContact CD-OE1 3.44Å; K3-E32 WeakPolarHBondContact CE-OE1 3.3Å; K3-E32 HydrophobicContact CG-CG 4.07Å; K3-E32 IonicContact NZ-OE1 3.01Å; K3-E32 PolarHBondContact NZ-OE1 3.46Å; C30-E32 PolarHBondContact SG-O 2.97Å; E32-L34 PolarHBondContact O-N 3.27Å
33	D	93.8	Very high	96.5	Very high	114 Å²	114	41.2 Å²	41.2	61%	0.61	21%	0.211	S	C	*	.			trans	-65.8	129.7	179.4	-61.5	-20.7	0	0	0	110.7	P66 A67	D33-P66 VanDerWaalsContact OD1-CA 3.26Å; D33-P66 WeakPolarHBondContact OD1-CA 3.36Å; D33-A67 PolarHBondContact OD1-N 2.82Å
34	L	93.9	Very high	96.5	Very high	7 Å²	7	39 Å²	39	4%	0.037	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-90.6	136	172.3	-57.8	-177.8	0	0	0	110.7	K3 V4 E32 L38 V65 Y101 W153	K3-L34 HydrophobicContact CB-CD2 3.95Å; K3-L34 HydrophobicContact CD-CD2 3.93Å; V4-L34 HydrophobicContact CG2-CD1 3.64Å; E32-L34 PolarHBondContact O-N 3.27Å; L34-L38 HydrophobicContact CD1-CD1 4.24Å; L34-L38 HydrophobicContact CD1-CD2 3.75Å; L34-L38 HydrophobicContact CD1-CG 3.91Å; L34-V65 HydrophobicContact CB-CB 4.21Å; L34-V65 HydrophobicContact CD1-CB 4.06Å; L34-V65 HydrophobicContact CD1-CG1 4.5Å; L34-V65 HydrophobicContact CD1-CG2 4.38Å; L34-V65 HydrophobicContact CG-CB 4.26Å; L34-V65 PolarHBondContact N-O 2.98Å; L34-Y101 HydrophobicContact CB-CE2 4.01Å; L34-Y101 HydrophobicContact CD1-CD2 4.17Å; L34-Y101 HydrophobicContact CD1-CE2 3.97Å; L34-Y101 HydrophobicContact CD2-CE2 4.37Å; L34-Y101 HydrophobicContact CG-CE2 4.35Å; L34-W153 HydrophobicContact CD2-CE3 4.34Å; L34-W153 HydrophobicContact CD2-CZ3 4.47Å
35	S	91.1	Very high	96.5	Very high	91 Å²	91	40 Å²	40	64%	0.636	21%	0.207	S	C	*	.	S	Bend	trans	-79.4	-23.8	177.1	52.6	0	0	0	0	113.5	Y101 R102	S35-Y101 PolarHBondContact OG-OH 3.39Å; S35-R102 PolarHBondContact OG-NH2 2.81Å
36	E	93.5	Very high	96.4	Very high	77 Å²	77	37.4 Å²	37.4	36%	0.36	20%	0.195	S	C	.	.	S	Bend	trans	-119	166.8	178.8	-73.7	179.8	-116.2	0	0	111.9	Y101 R102	E36-Y101 HydrophobicContact CB-CD2 4.46Å; E36-Y101 HydrophobicContact CB-CE2 3.67Å; E36-Y101 WeakPolarHBondContact O-CE2 3.44Å; E36-R102 WeakPolarHBondContact OE1-CG 3.26Å; E36-R102 IonicContact OE1-CZ 3.89Å; E36-R102 IonicContact OE1-NE 3.1Å; E36-R102 PolarHBondContact OE1-NE 3.43Å; E36-R102 IonicContact OE1-NH1 3.44Å; E36-R102 PolarHBondContact OE1-NH1 2.84Å; E36-R102 IonicContact OE1-NH2 3.62Å; E36-R102 PolarHBondContact OE1-NH2 2.82Å
37	D	95.7	Very high	96.3	Very high	70 Å²	70	37.5 Å²	37.5	37%	0.374	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-76	146.6	179.5	-62.2	-8.4	0	0	0	111.2	L61 G63	D37-L61 HydrophobicContact CB-CB 4.21Å; D37-L61 HydrophobicContact CB-CD2 4.39Å; D37-G63 WeakPolarHBondContact OD1-CA 3.35Å
38	L	97.1	Very high	96	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131	162.4	-64.6	174.9	0	0	0	109	V4 F28 L34 L61 V62 V65 Y101 F106	V4-L38 HydrophobicContact CG1-CD1 4.22Å; V4-L38 HydrophobicContact CG2-CD1 4.06Å; V4-L38 HydrophobicContact CG2-CD2 4.14Å; F28-L38 HydrophobicContact CE2-CD1 4.02Å; F28-L38 HydrophobicContact CZ-CD1 4.32Å; L34-L38 HydrophobicContact CD1-CD1 4.24Å; L34-L38 HydrophobicContact CD1-CD2 3.75Å; L34-L38 HydrophobicContact CD1-CG 3.91Å; L38-L61 CarbonylContact O-C 3.56Å; L38-L61 WeakPolarHBondContact O-CA 3.41Å; L38-V62 HydrophobicContact CB-CB 4.45Å; L38-V62 PolarHBondContact N-O 3.19Å; L38-V62 PolarHBondContact O-N 2.91Å; L38-V65 HydrophobicContact CD1-CG2 4.02Å; L38-V65 HydrophobicContact CG-CG2 4.09Å; L38-Y101 HydrophobicContact CD2-CD2 3.86Å; L38-Y101 HydrophobicContact CD2-CG 4.21Å; L38-F106 HydrophobicContact CD2-CE1 3.85Å; L38-F106 HydrophobicContact CD2-CZ 4.11Å
39	E	98.1	Very high	95.7	Very high	49 Å²	49	50 Å²	50	23%	0.229	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.5	171.1	-175.1	-167.6	-140.8	0	0	109.2	K41 S59 V60 L61 C99 T100	E39-K41 HydrophobicContact CG-CG 4.49Å; E39-K41 WeakPolarHBondContact OE1-CE 3.31Å; E39-K41 IonicContact OE1-NZ 2.93Å; E39-K41 PolarHBondContact OE1-NZ 3.13Å; E39-K41 WeakPolarHBondContact OE2-CE 3.36Å; E39-K41 IonicContact OE2-NZ 2.87Å; E39-K41 PolarHBondContact OE2-NZ 3.32Å; E39-S59 PolarHBondContact OE1-OG 3.41Å; E39-V60 WeakPolarHBondContact CA-O 3.24Å; E39-L61 HydrophobicContact CB-CD2 3.72Å; E39-L61 HydrophobicContact CG-CD2 3.9Å; E39-C99 CarbonylContact O-C 3.58Å; E39-C99 VanDerWaalsContact O-CA 3.32Å; E39-C99 WeakPolarHBondContact O-CA 3.19Å; E39-T100 WeakPolarHBondContact CB-OG1 3.41Å; E39-T100 PolarHBondContact N-O 2.99Å; E39-T100 PolarHBondContact O-N 3.13Å; E39-T100 PolarHBondContact OE2-OG1 2.77Å; E39-T100 VanDerWaalsContact OE2-OG1 3.13Å
40	W	98.5	Very high	95.6	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.4	175.2	-65.9	83.5	0	0	0	109.7	V6 I26 F28 S59 V60 F72 F74 I97 T98 C99	V6-W40 HydrophobicContact CG2-CH2 3.61Å; V6-W40 HydrophobicContact CG2-CZ3 4.3Å; I26-W40 HydrophobicContact CD1-CE3 3.85Å; I26-W40 HydrophobicContact CD1-CZ3 3.91Å; I26-W40 HydrophobicContact CG2-CH2 3.57Å; I26-W40 HydrophobicContact CG2-CZ2 4.2Å; I26-W40 HydrophobicContact CG2-CZ3 3.8Å; F28-W40 AromaticContact CD1-CZ2 3.93Å; F28-W40 HydrophobicContact CD1-CZ2 3.93Å; F28-W40 HydrophobicContact CE1-CZ2 4.31Å; F28-W40 HydrophobicContact CG-CZ2 4.25Å; W40-S59 CarbonylContact O-C 3.54Å; W40-S59 VanDerWaalsContact O-CA 3.3Å; W40-S59 WeakPolarHBondContact O-CA 3.38Å; W40-V60 HydrophobicContact CB-CG2 3.83Å; W40-V60 PolarHBondContact N-O 3Å; W40-V60 PolarHBondContact O-N 3.18Å; W40-F72 AromaticContact CD1-CZ 4Å; W40-F72 HydrophobicContact CD2-CE1 4.43Å; W40-F72 AromaticContact CD2-CZ 3.94Å; W40-F72 HydrophobicContact CD2-CZ 3.94Å; W40-F72 AromaticContact CG-CZ 3.92Å; W40-F72 HydrophobicContact CG-CZ 3.92Å; W40-F72 HydrophobicContact CZ2-CE1 4.32Å; W40-F74 HydrophobicContact CB-CD1 4.01Å; W40-F74 HydrophobicContact CB-CE1 3.52Å; W40-F74 HydrophobicContact CB-CZ 4.26Å; W40-F74 WeakPolarHBondContact O-CZ 3.43Å; W40-I97 HydrophobicContact CE3-CG2 3.88Å; W40-I97 HydrophobicContact CZ3-CG2 4.12Å; W40-T98 WeakPolarHBondContact CA-O 3.44Å; W40-C99 HydrophobicContact CD2-CB 3.87Å; W40-C99 HydrophobicContact CE3-CB 3.72Å; W40-C99 HydrophobicContact CH2-CB 4.01Å; W40-C99 HydrophobicContact CZ2-CB 4.12Å; W40-C99 HydrophobicContact CZ3-CB 3.79Å
41	K	98.6	Very high	95.5	Very high	53 Å²	53	55.2 Å²	55.2	23%	0.23	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.7	175.4	-68	172.2	170.1	144.2	0	111	E39 I43 V56 D58 S59 I97 T98	E39-K41 HydrophobicContact CG-CG 4.49Å; E39-K41 WeakPolarHBondContact OE1-CE 3.31Å; E39-K41 IonicContact OE1-NZ 2.93Å; E39-K41 PolarHBondContact OE1-NZ 3.13Å; E39-K41 WeakPolarHBondContact OE2-CE 3.36Å; E39-K41 IonicContact OE2-NZ 2.87Å; E39-K41 PolarHBondContact OE2-NZ 3.32Å; K41-I43 HydrophobicContact CB-CG1 4.22Å; K41-V56 HydrophobicContact CB-CG1 4.44Å; K41-V56 HydrophobicContact CD-CG1 4.41Å; K41-V56 HydrophobicContact CG-CG1 4.36Å; K41-D58 WeakPolarHBondContact CA-O 3.35Å; K41-S59 WeakPolarHBondContact CE-OG 3.26Å; K41-S59 WeakPolarHBondContact CG-OG 3.49Å; K41-I97 WeakPolarHBondContact O-CA 3.44Å; K41-T98 PolarHBondContact N-O 2.85Å; K41-T98 PolarHBondContact O-N 2.79Å
42	I	98.6	Very high	95.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.2	164.4	-65.4	163.4	0	0	0	107.1	F24 V56 L57 D58 F74 A76 V95 L96 I97	F24-I42 HydrophobicContact CD2-CD1 3.72Å; F24-I42 HydrophobicContact CD2-CG1 4.19Å; F24-I42 HydrophobicContact CE2-CD1 3.97Å; F24-I42 HydrophobicContact CE2-CG1 4.18Å; F24-I42 HydrophobicContact CE2-CG2 4.22Å; I42-V56 CarbonylContact O-C 3.59Å; I42-L57 HydrophobicContact CB-CB 4.35Å; I42-L57 HydrophobicContact CG2-CB 4.15Å; I42-L57 HydrophobicContact CG2-CD1 3.79Å; I42-L57 HydrophobicContact CG2-CG 4.16Å; I42-L57 PolarHBondContact O-N 2.87Å; I42-D58 PolarHBondContact N-O 3.23Å; I42-D58 VanDerWaalsContact N-O 3.1Å; I42-F74 HydrophobicContact CD1-CB 4.45Å; I42-F74 HydrophobicContact CD1-CD1 3.81Å; I42-F74 HydrophobicContact CD1-CD2 3.93Å; I42-F74 HydrophobicContact CD1-CE1 3.92Å; I42-F74 HydrophobicContact CD1-CE2 4.03Å; I42-F74 HydrophobicContact CD1-CG 3.8Å; I42-F74 HydrophobicContact CD1-CZ 4.03Å; I42-F74 HydrophobicContact CG1-CD1 3.88Å; I42-F74 HydrophobicContact CG1-CE1 3.65Å; I42-F74 HydrophobicContact CG1-CE2 4.49Å; I42-F74 HydrophobicContact CG1-CG 4.39Å; I42-F74 HydrophobicContact CG1-CZ 3.98Å; I42-A76 HydrophobicContact CB-CB 4.26Å; I42-A76 HydrophobicContact CD1-CB 3.66Å; I42-A76 HydrophobicContact CG2-CB 4.49Å; I42-V95 HydrophobicContact CG2-CG2 3.76Å; I42-L96 CarbonylContact C-O 3.56Å; I42-L96 WeakPolarHBondContact CA-O 3.21Å; I42-I97 HydrophobicContact CG1-CG1 4.4Å
43	I	98.6	Very high	95.8	Very high	26 Å²	26	59.5 Å²	59.5	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.1	-176.8	-48.1	173.5	0	0	0	108.3	K41 D54 Q55 V56 V95 L96 T98	K41-I43 HydrophobicContact CB-CG1 4.22Å; I43-D54 HydrophobicContact CG2-CB 3.99Å; I43-Q55 CarbonylContact C-O 3.56Å; I43-Q55 WeakPolarHBondContact CA-O 3.48Å; I43-V56 HydrophobicContact CG1-CG2 4.38Å; I43-V95 CarbonylContact O-C 3.58Å; I43-V95 WeakPolarHBondContact O-CA 3.44Å; I43-V95 WeakPolarHBondContact O-CG2 3.3Å; I43-L96 HydrophobicContact CB-CB 4.25Å; I43-L96 PolarHBondContact N-O 2.93Å; I43-L96 PolarHBondContact O-N 2.77Å; I43-T98 HydrophobicContact CD1-CG2 4.06Å
44	Y	98.6	Very high	96	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.2	174.2	-171.4	-90.6	0	0	0	110	F22 G46 D54 Q55 P79 I84 T93 N115	F22-Y44 HydrophobicContact CE2-CD2 4.22Å; F22-Y44 AromaticContact CZ-CD2 3.69Å; F22-Y44 HydrophobicContact CZ-CD2 3.69Å; F22-Y44 AromaticContact CZ-CE2 3.87Å; F22-Y44 HydrophobicContact CZ-CE2 3.87Å; Y44-G46 PolarHBondContact O-N 2.87Å; Y44-D54 CarbonylContact O-C 3.57Å; Y44-D54 WeakPolarHBondContact O-CA 3.43Å; Y44-Q55 PolarHBondContact N-O 2.84Å; Y44-Q55 PolarHBondContact O-N 2.81Å; Y44-P79 HydrophobicContact CD1-CB 3.8Å; Y44-P79 HydrophobicContact CD1-CG 3.78Å; Y44-P79 HydrophobicContact CD2-CG 3.9Å; Y44-P79 HydrophobicContact CE1-CB 4.27Å; Y44-P79 HydrophobicContact CE1-CG 3.87Å; Y44-P79 HydrophobicContact CE2-CG 3.98Å; Y44-P79 HydrophobicContact CG-CB 3.92Å; Y44-P79 HydrophobicContact CG-CG 3.77Å; Y44-I84 HydrophobicContact CD1-CD1 4.46Å; Y44-I84 HydrophobicContact CE1-CD1 3.76Å; Y44-I84 HydrophobicContact CE1-CG1 4.44Å; Y44-T93 HydrophobicContact CE1-CG2 4.06Å; Y44-T93 HydrophobicContact CE2-CG2 3.94Å; Y44-T93 VanDerWaalsContact CZ-CG2 3.5Å; Y44-T93 VanDerWaalsContact OH-CG2 3.31Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.4Å; Y44-N115 PolarHBondContact OH-ND2 2.78Å
45	V	98.3	Very high	96.2	Very high	20 Å²	20	57.3 Å²	57.3	12%	0.121	30%	0.3	C	S	.	.			trans	-79.9	109.8	176	178.6	0	0	0	0	108.5	S47 D54 T93 V94 L96	V45-S47 VanDerWaalsContact CG1-O 3.29Å; V45-S47 WeakPolarHBondContact CG1-O 3.34Å; V45-D54 WeakPolarHBondContact CA-OD1 3.42Å; V45-T93 PolarHBondContact O-OG1 3.26Å; V45-V94 HydrophobicContact CB-CB 4.32Å; V45-V94 WeakPolarHBondContact CB-O 3.39Å; V45-V94 HydrophobicContact CG2-CB 4Å; V45-V94 HydrophobicContact CG2-CG1 4.43Å; V45-V94 WeakPolarHBondContact CG2-O 3.39Å; V45-V94 PolarHBondContact N-O 2.84Å; V45-L96 HydrophobicContact CG2-CD1 4.42Å
46	G	96.9	Very high	96.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.01	30%	0.295	C	S	.	.	S	Bend	trans	-73.9	-31.1	-178.8	0	0	0	0	0	113.1	Y44 Y53 D88	Y44-G46 PolarHBondContact O-N 2.87Å; G46-Y53 WeakPolarHBondContact CA-O 3.43Å; G46-Y53 PolarHBondContact N-O 2.81Å; G46-D88 WeakPolarHBondContact O-CB 3.37Å
47	S	95.3	Very high	96.8	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.021	29%	0.285	C	S	.	.			trans	-149.4	140	175.6	-178.4	0	0	0	0	109.7	V45 E49 D88	V45-S47 VanDerWaalsContact CG1-O 3.29Å; V45-S47 WeakPolarHBondContact CG1-O 3.34Å; S47-E49 PolarHBondContact O-N 2.81Å; S47-E49 PolarHBondContact OG-N 2.74Å; S47-D88 WeakPolarHBondContact CB-OD2 3.34Å; S47-D88 PolarHBondContact OG-OD2 2.77Å
48	A	90.1	Very high	96.9	Very high	93 Å²	93	54.5 Å²	54.5	77%	0.769	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.7	174.6	0	0	0	0	0	112.8
49	E	92.6	Very high	97	Very high	177 Å²	177	56.9 Å²	56.9	83%	0.827	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-23.5	-176	-58.6	-169.2	160.9	0	0	113.3	S47	S47-E49 PolarHBondContact O-N 2.81Å; S47-E49 PolarHBondContact OG-N 2.74Å
50	S	93.4	Very high	96.9	Very high	35 Å²	35	56.5 Å²	56.5	25%	0.245	30%	0.3	C	S	.	.			trans	-155.8	132.2	-176.4	-179.5	0	0	0	0	112.5	E52 Y53	S50-E52 PolarHBondContact O-N 2.73Å; S50-E52 WeakPolarHBondContact OG-CB 3.36Å; S50-E52 WeakPolarHBondContact OG-CG 3.41Å; S50-E52 PolarHBondContact OG-N 3.07Å; S50-Y53 PolarHBondContact O-N 2.82Å
51	E	95.1	Very high	96.8	Very high	160 Å²	160	61.9 Å²	61.9	75%	0.748	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-66.6	-12.4	172.3	-60.5	-177.2	168.3	0	0	112.3	Y53 D54	E51-Y53 PolarHBondContact O-N 2.76Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.26Å; E51-D54 PolarHBondContact O-N 3.1Å
52	E	96.8	Very high	96.7	Very high	173 Å²	173	61.2 Å²	61.2	81%	0.808	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.4	176	-64.3	177	167.1	0	0	112.8	S50	S50-E52 PolarHBondContact O-N 2.73Å; S50-E52 WeakPolarHBondContact OG-CB 3.36Å; S50-E52 WeakPolarHBondContact OG-CG 3.41Å; S50-E52 PolarHBondContact OG-N 3.07Å
53	Y	97.2	Very high	96.3	Very high	97 Å²	97	62.9 Å²	62.9	38%	0.38	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-93.3	1.2	175.8	-58.6	-76.8	0	0	0	112.9	G46 S50 E51 Q55 L83 P85	G46-Y53 WeakPolarHBondContact CA-O 3.43Å; G46-Y53 PolarHBondContact N-O 2.81Å; S50-Y53 PolarHBondContact O-N 2.82Å; E51-Y53 PolarHBondContact O-N 2.76Å; Y53-Q55 PolarHBondContact O-N 2.87Å; Y53-L83 WeakPolarHBondContact CD1-O 3.32Å; Y53-P85 HydrophobicContact CD1-CG 3.89Å; Y53-P85 HydrophobicContact CD2-CG 4.29Å; Y53-P85 HydrophobicContact CE1-CG 3.74Å; Y53-P85 HydrophobicContact CE2-CG 4.16Å; Y53-P85 HydrophobicContact CG-CG 4.15Å
54	D	98	Very high	95.7	Very high	53 Å²	53	66.8 Å²	66.8	28%	0.283	37%	0.373	S	S	.	.			trans	-67.4	130.2	177.3	-73.9	4.9	0	0	0	110.2	I43 Y44 V45 E51	I43-D54 HydrophobicContact CG2-CB 3.99Å; Y44-D54 CarbonylContact O-C 3.57Å; Y44-D54 WeakPolarHBondContact O-CA 3.43Å; V45-D54 WeakPolarHBondContact CA-OD1 3.42Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.26Å; E51-D54 PolarHBondContact O-N 3.1Å
55	Q	98.5	Very high	95.4	Very high	23 Å²	23	66.9 Å²	66.9	11%	0.107	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.7	-179.3	-60.3	-175	49.7	0	0	109.3	I43 Y44 Y53 L57 N80	I43-Q55 CarbonylContact C-O 3.56Å; I43-Q55 WeakPolarHBondContact CA-O 3.48Å; Y44-Q55 PolarHBondContact N-O 2.84Å; Y44-Q55 PolarHBondContact O-N 2.81Å; Y53-Q55 PolarHBondContact O-N 2.87Å; Q55-L57 HydrophobicContact CB-CD2 4.1Å; Q55-L57 PolarHBondContact O-N 2.8Å; Q55-L57 VanDerWaalsContact O-N 3.16Å; Q55-N80 PolarHBondContact NE2-O 3.16Å; Q55-N80 VanDerWaalsContact NE2-O 3.09Å
56	V	98.5	Very high	95.3	Very high	88 Å²	88	69.1 Å²	69.1	53%	0.533	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	107.2	166.9	-176.4	0	0	0	0	107.4	K41 I42 I43	K41-V56 HydrophobicContact CB-CG1 4.44Å; K41-V56 HydrophobicContact CD-CG1 4.41Å; K41-V56 HydrophobicContact CG-CG1 4.36Å; I42-V56 CarbonylContact O-C 3.59Å; I43-V56 HydrophobicContact CG1-CG2 4.38Å
57	L	98.5	Very high	95.2	Very high	29 Å²	29	71.5 Å²	71.5	15%	0.152	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-40.7	-176.7	-55.8	-170.9	0	0	0	111.6	F22 I42 Q55 A76 D77 P79	F22-L57 HydrophobicContact CD2-CD1 3.42Å; F22-L57 VanDerWaalsContact CD2-CD1 3.42Å; F22-L57 HydrophobicContact CE2-CD1 3.54Å; F22-L57 HydrophobicContact CG-CD1 4.19Å; F22-L57 HydrophobicContact CZ-CD1 4.36Å; I42-L57 HydrophobicContact CB-CB 4.35Å; I42-L57 HydrophobicContact CG2-CB 4.15Å; I42-L57 HydrophobicContact CG2-CD1 3.79Å; I42-L57 HydrophobicContact CG2-CG 4.16Å; I42-L57 PolarHBondContact O-N 2.87Å; Q55-L57 HydrophobicContact CB-CD2 4.1Å; Q55-L57 PolarHBondContact O-N 2.8Å; Q55-L57 VanDerWaalsContact O-N 3.16Å; L57-A76 HydrophobicContact CB-CB 3.68Å; L57-D77 WeakPolarHBondContact CD1-O 3.17Å; L57-P79 HydrophobicContact CD2-CB 3.83Å
58	D	98.1	Very high	95.3	Very high	62 Å²	62	72.9 Å²	72.9	33%	0.332	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	159.4	173.5	-163.1	11.7	0	0	0	110.9	K41 I42 F74 A76	K41-D58 WeakPolarHBondContact CA-O 3.35Å; I42-D58 PolarHBondContact N-O 3.23Å; I42-D58 VanDerWaalsContact N-O 3.1Å; D58-F74 HydrophobicContact CB-CE2 3.93Å; D58-F74 HydrophobicContact CB-CZ 4.29Å; D58-A76 HydrophobicContact CB-CB 3.51Å
59	S	98	Very high	95.6	Very high	50 Å²	50	77.1 Å²	77.1	35%	0.35	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	114.8	177.1	-171.8	0	0	0	0	110	E39 W40 K41	E39-S59 PolarHBondContact OE1-OG 3.41Å; W40-S59 CarbonylContact O-C 3.54Å; W40-S59 VanDerWaalsContact O-CA 3.3Å; W40-S59 WeakPolarHBondContact O-CA 3.38Å; K41-S59 WeakPolarHBondContact CE-OG 3.26Å; K41-S59 WeakPolarHBondContact CG-OG 3.49Å
60	V	97.3	Very high	95.8	Very high	41 Å²	41	71.2 Å²	71.2	25%	0.248	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.2	-178.6	-60.9	0	0	0	0	111.5	E39 W40 F72 F74	E39-V60 WeakPolarHBondContact CA-O 3.24Å; W40-V60 HydrophobicContact CB-CG2 3.83Å; W40-V60 PolarHBondContact N-O 3Å; W40-V60 PolarHBondContact O-N 3.18Å; V60-F72 HydrophobicContact CG2-CE2 4.31Å; V60-F74 HydrophobicContact CB-CE2 4.09Å; V60-F74 HydrophobicContact CB-CZ 4.33Å; V60-F74 HydrophobicContact CG1-CD2 4.11Å; V60-F74 HydrophobicContact CG1-CE2 3.48Å; V60-F74 VanDerWaalsContact CG1-CE2 3.48Å; V60-F74 HydrophobicContact CG1-CZ 4.11Å; V60-F74 HydrophobicContact CG2-CD1 4.28Å; V60-F74 HydrophobicContact CG2-CD2 3.89Å; V60-F74 HydrophobicContact CG2-CE1 3.95Å; V60-F74 HydrophobicContact CG2-CE2 3.52Å; V60-F74 HydrophobicContact CG2-CG 4.28Å; V60-F74 HydrophobicContact CG2-CZ 3.56Å
61	L	96.9	Very high	96	Very high	115 Å²	115	75.1 Å²	75.1	60%	0.602	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.6	172.6	-62.9	177.4	0	0	0	109.6	D37 L38 E39	D37-L61 HydrophobicContact CB-CB 4.21Å; D37-L61 HydrophobicContact CB-CD2 4.39Å; L38-L61 CarbonylContact O-C 3.56Å; L38-L61 WeakPolarHBondContact O-CA 3.41Å; E39-L61 HydrophobicContact CB-CD2 3.72Å; E39-L61 HydrophobicContact CG-CD2 3.9Å
62	V	94.7	Very high	96	Very high	38 Å²	38	69.5 Å²	69.5	23%	0.23	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	103	177.1	-178.6	0	0	0	0	107.5	F28 L38 V65 F72	F28-V62 HydrophobicContact CZ-CG1 4.3Å; L38-V62 HydrophobicContact CB-CB 4.45Å; L38-V62 PolarHBondContact N-O 3.19Å; L38-V62 PolarHBondContact O-N 2.91Å; V62-V65 HydrophobicContact CG1-CG2 4.24Å; V62-V65 WeakPolarHBondContact O-CG2 3.33Å; V62-F72 HydrophobicContact CG2-CE2 4.5Å; V62-F72 HydrophobicContact CG2-CZ 4.3Å
63	G	90.2	Very high	96.1	Very high	35 Å²	35	65 Å²	65	36%	0.361	37%	0.365	S	S	.	.			trans	-175.4	172.8	170.3	0	0	0	0	0	114.2	D37	D37-G63 WeakPolarHBondContact OD1-CA 3.35Å
64	P	86.8	Confident	96.1	Very high	108 Å²	108	60.7 Å²	60.7	70%	0.701	35%	0.348	S	S	*	.	S	Bend	cis	-64.3	148.1	-7	29.1	-35.3	0	0	0	111.5	P66	P64-P66 VanDerWaalsContact O-CD 3.3Å; P64-P66 WeakPolarHBondContact O-CD 3.35Å
65	V	93.1	Very high	96.1	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.024	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-105.9	101.6	-174.5	-174.7	0	0	0	0	109.7	F28 C30 L34 L38 V62	F28-V65 HydrophobicContact CE2-CG1 3.77Å; F28-V65 HydrophobicContact CZ-CG1 4.27Å; C30-V65 HydrophobicContact CB-CG1 3.89Å; L34-V65 HydrophobicContact CB-CB 4.21Å; L34-V65 HydrophobicContact CD1-CB 4.06Å; L34-V65 HydrophobicContact CD1-CG1 4.5Å; L34-V65 HydrophobicContact CD1-CG2 4.38Å; L34-V65 HydrophobicContact CG-CB 4.26Å; L34-V65 PolarHBondContact N-O 2.98Å; L38-V65 HydrophobicContact CD1-CG2 4.02Å; L38-V65 HydrophobicContact CG-CG2 4.09Å; V62-V65 HydrophobicContact CG1-CG2 4.24Å; V62-V65 WeakPolarHBondContact O-CG2 3.33Å
66	P	94.5	Very high	96.1	Very high	67 Å²	67	61.8 Å²	61.8	44%	0.435	35%	0.352	S	S	.	.			trans	-71	160.5	176.8	29.6	-33.7	0	0	0	111.2	D33 P64 H70	D33-P66 VanDerWaalsContact OD1-CA 3.26Å; D33-P66 WeakPolarHBondContact OD1-CA 3.36Å; P64-P66 VanDerWaalsContact O-CD 3.3Å; P64-P66 WeakPolarHBondContact O-CD 3.35Å; P66-H70 PolarHBondContact O-NE2 2.94Å
67	A	96.1	Very high	96.1	Very high	51 Å²	51	63.3 Å²	63.3	42%	0.421	36%	0.357	S	S	.	.	S	Bend	trans	-57.4	143.3	172.4	0	0	0	0	0	111.2	C30 D33	C30-A67 CarbonylContact O-C 3.59Å; C30-A67 WeakPolarHBondContact O-CA 3.32Å; D33-A67 PolarHBondContact OD1-N 2.82Å
68	G	96.6	Very high	96.1	Very high	31 Å²	31	63 Å²	63	32%	0.32	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.8	-170.4	179.5	0	0	0	0	0	113.5	E29 C30	E29-G68 CarbonylContact C-O 3.56Å; E29-G68 WeakPolarHBondContact CA-O 3.46Å; C30-G68 PolarHBondContact N-O 2.62Å; C30-G68 PolarHBondContact O-N 2.97Å
69	R	97	Very high	96.1	Very high	182 Å²	182	60.1 Å²	60.1	69%	0.687	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.2	-177.4	-177.2	176.3	174.7	175.6	-2.3	110.6	T27 F28	T27-R69 HydrophobicContact CG2-CG 4.11Å; T27-R69 VanDerWaalsContact CG2-NE 3.25Å; F28-R69 WeakPolarHBondContact O-CA 3.09Å
70	H	96.8	Very high	96.1	Very high	53 Å²	53	61.9 Å²	61.9	25%	0.245	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.2	-178.2	-60.8	-65.5	0	0	0	110.9	T27 F28 P66	T27-H70 WeakPolarHBondContact CA-O 3.38Å; F28-H70 HydrophobicContact CD1-CB 4.17Å; F28-H70 HydrophobicContact CD2-CB 4.3Å; F28-H70 HydrophobicContact CE1-CB 3.65Å; F28-H70 HydrophobicContact CE2-CB 3.8Å; F28-H70 AromaticContact CE2-CD2 3.65Å; F28-H70 HydrophobicContact CG-CB 4.47Å; F28-H70 HydrophobicContact CZ-CB 3.46Å; F28-H70 VanDerWaalsContact CZ-CB 3.46Å; F28-H70 AromaticContact CZ-CG 3.96Å; F28-H70 PolarHBondContact N-O 2.79Å; F28-H70 PolarHBondContact O-N 2.81Å; F28-H70 VanDerWaalsContact O-O 3.12Å; P66-H70 PolarHBondContact O-NE2 2.94Å
71	M	96.7	Very high	96.1	Very high	117 Å²	117	61.2 Å²	61.2	58%	0.576	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	135.3	176.1	-175.1	-170.1	79.6	0	0	109.5	E25 I26	E25-M71 HydrophobicContact CG-CG 3.85Å; E25-M71 HydrophobicContact CG-SD 3.92Å; I26-M71 VanDerWaalsContact O-CA 3.26Å; I26-M71 WeakPolarHBondContact O-CA 3.29Å
72	F	96.9	Very high	96.1	Very high	43 Å²	43	59 Å²	59	19%	0.189	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.4	173.1	72.4	-76.4	0	0	0	110.9	I26 F28 W40 V60 V62 F74	I26-F72 HydrophobicContact CB-CD1 4.28Å; I26-F72 HydrophobicContact CB-CE1 3.86Å; I26-F72 HydrophobicContact CB-CZ 4.22Å; I26-F72 HydrophobicContact CD1-CE1 4.38Å; I26-F72 HydrophobicContact CD1-CE2 4.46Å; I26-F72 HydrophobicContact CD1-CZ 3.89Å; I26-F72 HydrophobicContact CG2-CE1 4.01Å; I26-F72 PolarHBondContact N-O 3.45Å; I26-F72 PolarHBondContact O-N 3.41Å; F28-F72 HydrophobicContact CD1-CD1 4.36Å; F28-F72 HydrophobicContact CD1-CE1 4.11Å; F28-F72 AromaticContact CE1-CD1 3.85Å; F28-F72 HydrophobicContact CE1-CD1 3.85Å; F28-F72 AromaticContact CE1-CE1 3.75Å; F28-F72 HydrophobicContact CE1-CE1 3.75Å; W40-F72 AromaticContact CD1-CZ 4Å; W40-F72 HydrophobicContact CD2-CE1 4.43Å; W40-F72 AromaticContact CD2-CZ 3.94Å; W40-F72 HydrophobicContact CD2-CZ 3.94Å; W40-F72 AromaticContact CG-CZ 3.92Å; W40-F72 HydrophobicContact CG-CZ 3.92Å; W40-F72 HydrophobicContact CZ2-CE1 4.32Å; V60-F72 HydrophobicContact CG2-CE2 4.31Å; V62-F72 HydrophobicContact CG2-CE2 4.5Å; V62-F72 HydrophobicContact CG2-CZ 4.3Å; F72-F74 HydrophobicContact CD2-CB 4.17Å; F72-F74 HydrophobicContact CE2-CB 3.61Å; F72-F74 HydrophobicContact CE2-CD1 4.25Å; F72-F74 AromaticContact CE2-CG 3.95Å; F72-F74 HydrophobicContact CE2-CG 3.95Å; F72-F74 HydrophobicContact CZ-CB 4.39Å
73	V	97.6	Very high	96.2	Very high	79 Å²	79	61.7 Å²	61.7	48%	0.479	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.8	171.9	179.1	0	0	0	0	108	L12 F24	L12-V73 HydrophobicContact CD1-CG1 4.22Å; L12-V73 HydrophobicContact CD1-CG2 4.49Å; F24-V73 CarbonylContact O-C 3.57Å; F24-V73 WeakPolarHBondContact O-CA 3.38Å
74	F	97.7	Very high	96.5	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.022	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110.8	174.9	-163.7	-176.4	0	0	0	108.9	F24 I26 W40 I42 D58 V60 F72	F24-F74 PolarHBondContact N-O 2.86Å; F24-F74 PolarHBondContact O-N 2.88Å; I26-F74 HydrophobicContact CD1-CB 4.02Å; I26-F74 HydrophobicContact CD1-CD1 3.99Å; W40-F74 HydrophobicContact CB-CD1 4.01Å; W40-F74 HydrophobicContact CB-CE1 3.52Å; W40-F74 HydrophobicContact CB-CZ 4.26Å; W40-F74 WeakPolarHBondContact O-CZ 3.43Å; I42-F74 HydrophobicContact CD1-CB 4.45Å; I42-F74 HydrophobicContact CD1-CD1 3.81Å; I42-F74 HydrophobicContact CD1-CD2 3.93Å; I42-F74 HydrophobicContact CD1-CE1 3.92Å; I42-F74 HydrophobicContact CD1-CE2 4.03Å; I42-F74 HydrophobicContact CD1-CG 3.8Å; I42-F74 HydrophobicContact CD1-CZ 4.03Å; I42-F74 HydrophobicContact CG1-CD1 3.88Å; I42-F74 HydrophobicContact CG1-CE1 3.65Å; I42-F74 HydrophobicContact CG1-CE2 4.49Å; I42-F74 HydrophobicContact CG1-CG 4.39Å; I42-F74 HydrophobicContact CG1-CZ 3.98Å; D58-F74 HydrophobicContact CB-CE2 3.93Å; D58-F74 HydrophobicContact CB-CZ 4.29Å; V60-F74 HydrophobicContact CB-CE2 4.09Å; V60-F74 HydrophobicContact CB-CZ 4.33Å; V60-F74 HydrophobicContact CG1-CD2 4.11Å; V60-F74 HydrophobicContact CG1-CE2 3.48Å; V60-F74 VanDerWaalsContact CG1-CE2 3.48Å; V60-F74 HydrophobicContact CG1-CZ 4.11Å; V60-F74 HydrophobicContact CG2-CD1 4.28Å; V60-F74 HydrophobicContact CG2-CD2 3.89Å; V60-F74 HydrophobicContact CG2-CE1 3.95Å; V60-F74 HydrophobicContact CG2-CE2 3.52Å; V60-F74 HydrophobicContact CG2-CG 4.28Å; V60-F74 HydrophobicContact CG2-CZ 3.56Å; F72-F74 HydrophobicContact CD2-CB 4.17Å; F72-F74 HydrophobicContact CE2-CB 3.61Å; F72-F74 HydrophobicContact CE2-CD1 4.25Å; F72-F74 AromaticContact CE2-CG 3.95Å; F72-F74 HydrophobicContact CE2-CG 3.95Å; F72-F74 HydrophobicContact CZ-CB 4.39Å
75	Q	98.1	Very high	97	Very high	97 Å²	97	56.8 Å²	56.8	45%	0.453	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.3	179.6	179.7	177.4	-38.6	0	0	110.2	P21 F22 Q23	P21-Q75 HydrophobicContact CB-CG 3.67Å; F22-Q75 CarbonylContact O-C 3.58Å; F22-Q75 WeakPolarHBondContact O-CA 3.32Å; F22-Q75 WeakPolarHBondContact O-CG 3.26Å; Q23-Q75 HydrophobicContact CG-CB 4.21Å; Q23-Q75 HydrophobicContact CG-CG 3.82Å
76	A	98.3	Very high	97.1	Very high	3 Å²	3	60.7 Å²	60.7	3%	0.025	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.1	176.2	0	0	0	0	0	111	P21 F22 I42 L57 D58	P21-A76 CarbonylContact C-O 3.57Å; P21-A76 WeakPolarHBondContact CA-O 3.38Å; P21-A76 VanDerWaalsContact CB-O 3.29Å; P21-A76 WeakPolarHBondContact CB-O 3.29Å; F22-A76 PolarHBondContact N-O 3.31Å; F22-A76 PolarHBondContact O-N 3.05Å; I42-A76 HydrophobicContact CB-CB 4.26Å; I42-A76 HydrophobicContact CD1-CB 3.66Å; I42-A76 HydrophobicContact CG2-CB 4.49Å; L57-A76 HydrophobicContact CB-CB 3.68Å; D58-A76 HydrophobicContact CB-CB 3.51Å
77	D	98.5	Very high	97.2	Very high	119 Å²	119	62 Å²	62	64%	0.636	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-62.9	159.5	176.2	-71.3	-29.8	0	0	0	111.7	L57	L57-D77 WeakPolarHBondContact CD1-O 3.17Å
78	A	98.4	Very high	97.2	Very high	22 Å²	22	61.6 Å²	61.6	18%	0.182	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-64.2	152.3	176.3	0	0	0	0	0	111.7	F18	F18-A78 VanDerWaalsContact O-CB 3.27Å; F18-A78 WeakPolarHBondContact O-CB 3.43Å
79	P	98.3	Very high	97.1	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.019	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-58.7	152.5	173.9	26.4	-37.1	0	0	0	111.4	F18 Y44 L57 P81 I84	F18-P79 HydrophobicContact CE1-CG 4.13Å; F18-P79 HydrophobicContact CE2-CG 4.32Å; F18-P79 HydrophobicContact CZ-CG 3.6Å; Y44-P79 HydrophobicContact CD1-CB 3.8Å; Y44-P79 HydrophobicContact CD1-CG 3.78Å; Y44-P79 HydrophobicContact CD2-CG 3.9Å; Y44-P79 HydrophobicContact CE1-CB 4.27Å; Y44-P79 HydrophobicContact CE1-CG 3.87Å; Y44-P79 HydrophobicContact CE2-CG 3.98Å; Y44-P79 HydrophobicContact CG-CB 3.92Å; Y44-P79 HydrophobicContact CG-CG 3.77Å; L57-P79 HydrophobicContact CD2-CB 3.83Å; P79-P81 WeakPolarHBondContact O-CD 3.5Å; P79-I84 HydrophobicContact CB-CD1 4.25Å; P79-I84 HydrophobicContact CG-CD1 4.18Å
80	N	97.9	Very high	97.1	Very high	87 Å²	87	54.1 Å²	54.1	47%	0.465	32%	0.32	S	S	.	.			trans	-68.9	115.2	171.6	-178.7	-2.3	0	0	0	109.7	Q55 G82 L83	Q55-N80 PolarHBondContact NE2-O 3.16Å; Q55-N80 VanDerWaalsContact NE2-O 3.09Å; N80-G82 PolarHBondContact O-N 2.79Å; N80-G82 PolarHBondContact OD1-N 3.37Å; N80-L83 HydrophobicContact CB-CD1 4.15Å; N80-L83 HydrophobicContact CB-CG 4.24Å; N80-L83 PolarHBondContact O-N 3.43Å
81	P	97.5	Very high	97.1	Very high	26 Å²	26	52.7 Å²	52.7	17%	0.169	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-60.3	-29.7	179.3	-21.5	31.6	0	0	0	114	F18 Y19 P79 L83 I84 F132	F18-P81 HydrophobicContact CE1-CG 4Å; Y19-P81 HydrophobicContact CE1-CG 3.56Å; P79-P81 WeakPolarHBondContact O-CD 3.5Å; P81-L83 PolarHBondContact O-N 2.84Å; P81-I84 PolarHBondContact O-N 3.1Å; P81-I84 VanDerWaalsContact O-N 3.16Å; P81-F132 HydrophobicContact CB-CB 4.37Å; P81-F132 HydrophobicContact CB-CD1 3.86Å; P81-F132 HydrophobicContact CB-CD2 3.53Å; P81-F132 HydrophobicContact CB-CE1 3.91Å; P81-F132 HydrophobicContact CB-CE2 3.58Å; P81-F132 HydrophobicContact CB-CG 3.66Å; P81-F132 HydrophobicContact CB-CZ 3.75Å; P81-F132 HydrophobicContact CG-CB 4.28Å; P81-F132 HydrophobicContact CG-CD1 4.22Å; P81-F132 HydrophobicContact CG-CD2 4.34Å; P81-F132 HydrophobicContact CG-CG 4.04Å
82	G	96.6	Very high	97.1	Very high	69 Å²	69	51.6 Å²	51.6	71%	0.711	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-70.1	-10.4	-177.9	0	0	0	0	0	114.4	N80	N80-G82 PolarHBondContact O-N 2.79Å; N80-G82 PolarHBondContact OD1-N 3.37Å
83	L	96.6	Very high	97.1	Very high	94 Å²	94	50 Å²	50	49%	0.492	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-103.1	-1.3	176.3	-58.6	179.3	0	0	0	112.5	Y53 N80 P81	Y53-L83 WeakPolarHBondContact CD1-O 3.32Å; N80-L83 HydrophobicContact CB-CD1 4.15Å; N80-L83 HydrophobicContact CB-CG 4.24Å; N80-L83 PolarHBondContact O-N 3.43Å; P81-L83 PolarHBondContact O-N 2.84Å
84	I	97.7	Very high	97.1	Very high	8 Å²	8	48 Å²	48	4%	0.041	30%	0.301	C	S	.	.	S	Bend	trans	-96.2	125.4	178.5	-61.7	172.7	0	0	0	107.8	F18 Y44 P79 P81 D86 D88 A89 F132	F18-I84 HydrophobicContact CE2-CD1 4.39Å; F18-I84 HydrophobicContact CZ-CD1 3.77Å; Y44-I84 HydrophobicContact CD1-CD1 4.46Å; Y44-I84 HydrophobicContact CE1-CD1 3.76Å; Y44-I84 HydrophobicContact CE1-CG1 4.44Å; P79-I84 HydrophobicContact CB-CD1 4.25Å; P79-I84 HydrophobicContact CG-CD1 4.18Å; P81-I84 PolarHBondContact O-N 3.1Å; P81-I84 VanDerWaalsContact O-N 3.16Å; I84-D86 PolarHBondContact O-N 3.22Å; I84-D88 HydrophobicContact CG2-CB 4.48Å; I84-A89 HydrophobicContact CG2-CB 4.18Å; I84-F132 HydrophobicContact CB-CZ 4.25Å; I84-F132 HydrophobicContact CD1-CE1 3.98Å; I84-F132 HydrophobicContact CD1-CZ 4.44Å; I84-F132 HydrophobicContact CG2-CZ 4.4Å
85	P	96.9	Very high	97.1	Very high	33 Å²	33	47.8 Å²	47.8	21%	0.214	30%	0.3	C	S	.	.			trans	-56.6	136.7	172.3	-26.1	36.5	0	0	0	111.6	Y53 A87 D88 A89	Y53-P85 HydrophobicContact CD1-CG 3.89Å; Y53-P85 HydrophobicContact CD2-CG 4.29Å; Y53-P85 HydrophobicContact CE1-CG 3.74Å; Y53-P85 HydrophobicContact CE2-CG 4.16Å; Y53-P85 HydrophobicContact CG-CG 4.15Å; P85-A87 PolarHBondContact O-N 3.32Å; P85-D88 PolarHBondContact O-N 2.82Å; P85-A89 PolarHBondContact O-N 2.81Å
86	D	95.6	Very high	97.1	Very high	86 Å²	86	44.3 Å²	44.3	46%	0.46	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-31.2	-176.4	-75.7	-7.2	0	0	0	112.8	I84 D88 P130	I84-D86 PolarHBondContact O-N 3.22Å; D86-D88 VanDerWaalsContact C-N 3.35Å; D86-P130 HydrophobicContact CB-CG 4.07Å; D86-P130 VanDerWaalsContact O-CG 3.31Å; D86-P130 WeakPolarHBondContact O-CG 3.32Å
87	A	94.9	Very high	97.1	Very high	93 Å²	93	44.2 Å²	44.2	77%	0.769	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.4	178.2	0	0	0	0	0	114	P85	P85-A87 PolarHBondContact O-N 3.32Å
88	D	96.1	Very high	97.1	Very high	44 Å²	44	38.7 Å²	38.7	24%	0.235	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.6	-177.6	-67.1	-59.3	0	0	0	112.8	G46 S47 I84 P85 D86 V90	G46-D88 WeakPolarHBondContact O-CB 3.37Å; S47-D88 WeakPolarHBondContact CB-OD2 3.34Å; S47-D88 PolarHBondContact OG-OD2 2.77Å; I84-D88 HydrophobicContact CG2-CB 4.48Å; P85-D88 PolarHBondContact O-N 2.82Å; D86-D88 VanDerWaalsContact C-N 3.35Å; D88-V90 VanDerWaalsContact C-N 3.35Å; D88-V90 PolarHBondContact O-N 2.97Å
89	A	95.7	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-62.8	-39.5	-178.4	0	0	0	0	0	113.1	I84 P85 N115 P130 F132	I84-A89 HydrophobicContact CG2-CB 4.18Å; P85-A89 PolarHBondContact O-N 2.81Å; A89-N115 WeakPolarHBondContact O-CB 3.5Å; A89-N115 PolarHBondContact O-ND2 3.45Å; A89-P130 HydrophobicContact CB-CB 3.64Å; A89-P130 HydrophobicContact CB-CG 3.55Å; A89-F132 HydrophobicContact CB-CE1 3.88Å; A89-F132 HydrophobicContact CB-CE2 4.2Å; A89-F132 HydrophobicContact CB-CZ 3.46Å; A89-F132 VanDerWaalsContact CB-CZ 3.46Å
90	V	96.4	Very high	97.1	Very high	55 Å²	55	38.2 Å²	38.2	33%	0.333	25%	0.249	S	C	.	.	S	Bend	trans	-110.3	127.7	-179	-171.8	0	0	0	0	109.4	D88 Y117 P130 L135	D88-V90 VanDerWaalsContact C-N 3.35Å; D88-V90 PolarHBondContact O-N 2.97Å; V90-Y117 HydrophobicContact CG1-CD2 4.46Å; V90-Y117 HydrophobicContact CG1-CE2 4.33Å; V90-Y117 HydrophobicContact CG2-CE2 3.81Å; V90-P130 HydrophobicContact CG2-CB 4.35Å; V90-L135 HydrophobicContact CG2-CD1 4.4Å; V90-L135 HydrophobicContact CG2-CD2 4.02Å
91	G	95.8	Very high	97.1	Very high	24 Å²	24	34.2 Å²	34.2	25%	0.247	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.1	-152	-176.3	0	0	0	0	0	112.1	N114 N115	G91-N114 CarbonylContact O-C 3.58Å; G91-N114 WeakPolarHBondContact O-CA 3.39Å; G91-N114 PolarHBondContact O-OD1 3.07Å; G91-N115 PolarHBondContact N-O 3.16Å; G91-N115 PolarHBondContact O-N 3Å
92	V	96.9	Very high	96.9	Very high	93 Å²	93	35.5 Å²	35.5	56%	0.564	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.4	-171.1	-179	0	0	0	0	110.8	Y112 V113 N114	V92-Y112 HydrophobicContact CG1-CD1 3.73Å; V92-Y112 HydrophobicContact CG1-CG 4.33Å; V92-V113 CarbonylContact C-O 3.5Å; V92-V113 VanDerWaalsContact CA-O 3.31Å; V92-V113 WeakPolarHBondContact CA-O 3.45Å; V92-N114 HydrophobicContact CG2-CB 4.44Å
93	T	97.5	Very high	96.8	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-167.6	166.5	-169.8	0	0	0	0	110.5	Y44 V45 Y112 V113	Y44-T93 HydrophobicContact CE1-CG2 4.06Å; Y44-T93 HydrophobicContact CE2-CG2 3.94Å; Y44-T93 VanDerWaalsContact CZ-CG2 3.5Å; Y44-T93 VanDerWaalsContact OH-CG2 3.31Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.4Å; V45-T93 PolarHBondContact O-OG1 3.26Å; T93-Y112 CarbonylContact O-C 3.58Å; T93-Y112 WeakPolarHBondContact O-CA 3.31Å; T93-V113 HydrophobicContact CG2-CB 4.06Å; T93-V113 PolarHBondContact N-O 2.98Å; T93-V113 PolarHBondContact O-N 2.63Å
94	V	97.9	Very high	96.8	Very high	37 Å²	37	34.6 Å²	34.6	22%	0.224	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.5	-177.9	178.2	0	0	0	0	110.4	V45 L96 Y111 Y112	V45-V94 HydrophobicContact CB-CB 4.32Å; V45-V94 WeakPolarHBondContact CB-O 3.39Å; V45-V94 HydrophobicContact CG2-CB 4Å; V45-V94 HydrophobicContact CG2-CG1 4.43Å; V45-V94 WeakPolarHBondContact CG2-O 3.39Å; V45-V94 PolarHBondContact N-O 2.84Å; V94-L96 HydrophobicContact CG1-CD2 3.52Å; V94-L96 HydrophobicContact CG1-CG 4.07Å; V94-Y111 CarbonylContact C-O 3.54Å; V94-Y111 VanDerWaalsContact CA-O 3.28Å; V94-Y111 WeakPolarHBondContact CA-O 3.35Å; V94-Y112 HydrophobicContact CG2-CD1 3.83Å; V94-Y112 HydrophobicContact CG2-CE1 3.98Å
95	V	98.4	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.8	162.2	66.1	0	0	0	0	108.7	F22 F24 I42 I43 G110 Y111 V113	F22-V95 HydrophobicContact CD1-CG2 4.11Å; F22-V95 HydrophobicContact CE1-CB 4.05Å; F22-V95 HydrophobicContact CE1-CG1 4.09Å; F22-V95 HydrophobicContact CE1-CG2 3.9Å; F22-V95 HydrophobicContact CZ-CG2 4.47Å; F24-V95 HydrophobicContact CZ-CG1 4.13Å; F24-V95 HydrophobicContact CZ-CG2 4.43Å; I42-V95 HydrophobicContact CG2-CG2 3.76Å; I43-V95 CarbonylContact O-C 3.58Å; I43-V95 WeakPolarHBondContact O-CA 3.44Å; I43-V95 WeakPolarHBondContact O-CG2 3.3Å; V95-G110 CarbonylContact O-C 3.54Å; V95-G110 WeakPolarHBondContact O-CA 3.44Å; V95-Y111 PolarHBondContact N-O 3.28Å; V95-Y111 PolarHBondContact O-N 2.91Å; V95-V113 HydrophobicContact CB-CG2 3.85Å; V95-V113 HydrophobicContact CG1-CG2 3.53Å
96	L	98.3	Very high	96.9	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.12	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139	-178.6	-54.8	174.1	0	0	0	109.7	I42 I43 V45 V94 R108 V109	I42-L96 CarbonylContact C-O 3.56Å; I42-L96 WeakPolarHBondContact CA-O 3.21Å; I43-L96 HydrophobicContact CB-CB 4.25Å; I43-L96 PolarHBondContact N-O 2.93Å; I43-L96 PolarHBondContact O-N 2.77Å; V45-L96 HydrophobicContact CG2-CD1 4.42Å; V94-L96 HydrophobicContact CG1-CD2 3.52Å; V94-L96 HydrophobicContact CG1-CG 4.07Å; L96-R108 HydrophobicContact CD2-CG 4.21Å; L96-V109 CarbonylContact C-O 3.58Å; L96-V109 WeakPolarHBondContact CA-O 3.45Å
97	I	98.5	Very high	97	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.2	165.1	-56.2	166.1	0	0	0	106.4	V9 F24 I26 W40 K41 I42 R108 V109 Y111	V9-I97 HydrophobicContact CG1-CD1 3.77Å; F24-I97 HydrophobicContact CB-CD1 4.09Å; F24-I97 HydrophobicContact CD1-CD1 3.66Å; F24-I97 HydrophobicContact CD2-CD1 3.75Å; F24-I97 HydrophobicContact CD2-CG1 4.21Å; F24-I97 HydrophobicContact CE1-CD1 3.92Å; F24-I97 HydrophobicContact CE2-CD1 3.99Å; F24-I97 HydrophobicContact CE2-CG1 4.16Å; F24-I97 HydrophobicContact CG-CD1 3.56Å; F24-I97 HydrophobicContact CG-CG1 4.5Å; F24-I97 HydrophobicContact CZ-CD1 4.07Å; F24-I97 HydrophobicContact CZ-CG1 4.41Å; I26-I97 HydrophobicContact CD1-CG2 3.95Å; W40-I97 HydrophobicContact CE3-CG2 3.88Å; W40-I97 HydrophobicContact CZ3-CG2 4.12Å; K41-I97 WeakPolarHBondContact O-CA 3.44Å; I42-I97 HydrophobicContact CG1-CG1 4.4Å; I97-R108 CarbonylContact O-C 3.6Å; I97-R108 WeakPolarHBondContact O-CA 3.29Å; I97-V109 HydrophobicContact CB-CB 4.36Å; I97-V109 PolarHBondContact N-O 2.89Å; I97-V109 PolarHBondContact O-N 2.8Å; I97-Y111 HydrophobicContact CD1-CE2 4.41Å
98	T	98.4	Very high	97.1	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.7	176.6	58.7	0	0	0	0	109.8	W40 K41 I43 I107 R108	W40-T98 WeakPolarHBondContact CA-O 3.44Å; K41-T98 PolarHBondContact N-O 2.85Å; K41-T98 PolarHBondContact O-N 2.79Å; I43-T98 HydrophobicContact CD1-CG2 4.06Å; T98-I107 WeakPolarHBondContact CA-O 3.27Å; T98-R108 HydrophobicContact CG2-CB 4.47Å; T98-R108 HydrophobicContact CG2-CG 4Å
99	C	98.2	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.9	166.9	-166.3	0	0	0	0	109.8	E39 W40 F106 I107	E39-C99 CarbonylContact O-C 3.58Å; E39-C99 VanDerWaalsContact O-CA 3.32Å; E39-C99 WeakPolarHBondContact O-CA 3.19Å; W40-C99 HydrophobicContact CD2-CB 3.87Å; W40-C99 HydrophobicContact CE3-CB 3.72Å; W40-C99 HydrophobicContact CH2-CB 4.01Å; W40-C99 HydrophobicContact CZ2-CB 4.12Å; W40-C99 HydrophobicContact CZ3-CB 3.79Å; C99-F106 HydrophobicContact CB-CE1 3.77Å; C99-F106 HydrophobicContact CB-CE2 4.49Å; C99-F106 HydrophobicContact CB-CZ 3.72Å; C99-F106 VanDerWaalsContact O-CD1 3.31Å; C99-F106 WeakPolarHBondContact O-CD1 3.28Å; C99-F106 PolarHBondContact O-N 2.87Å; C99-F106 VanDerWaalsContact O-N 3.07Å; C99-F106 WeakPolarHBondContact SG-CE1 3.38Å; C99-F106 WeakPolarHBondContact SG-CZ 3.42Å; C99-I107 HydrophobicContact CB-CG2 3.62Å; C99-I107 PolarHBondContact N-O 2.87Å
100	T	97.7	Very high	97.4	Very high	16 Å²	16	29.4 Å²	29.4	10%	0.098	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.9	176.8	86.9	0	0	0	0	110.1	E39 Q104 E105	E39-T100 WeakPolarHBondContact CB-OG1 3.41Å; E39-T100 PolarHBondContact N-O 2.99Å; E39-T100 PolarHBondContact O-N 3.13Å; E39-T100 PolarHBondContact OE2-OG1 2.77Å; E39-T100 VanDerWaalsContact OE2-OG1 3.13Å; T100-Q104 VanDerWaalsContact CA-O 3.31Å; T100-Q104 WeakPolarHBondContact CA-O 3.43Å; T100-E105 HydrophobicContact CG2-CB 4.04Å; T100-E105 HydrophobicContact CG2-CG 4.43Å
101	Y	96.7	Very high	97.5	Very high	3 Å²	3	27 Å²	27	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.5	170.9	-178.7	-114.6	0	0	0	107	L34 S35 E36 L38 G103 Q104 I151 W153	L34-Y101 HydrophobicContact CB-CE2 4.01Å; L34-Y101 HydrophobicContact CD1-CD2 4.17Å; L34-Y101 HydrophobicContact CD1-CE2 3.97Å; L34-Y101 HydrophobicContact CD2-CE2 4.37Å; L34-Y101 HydrophobicContact CG-CE2 4.35Å; S35-Y101 PolarHBondContact OG-OH 3.39Å; E36-Y101 HydrophobicContact CB-CD2 4.46Å; E36-Y101 HydrophobicContact CB-CE2 3.67Å; E36-Y101 WeakPolarHBondContact O-CE2 3.44Å; L38-Y101 HydrophobicContact CD2-CD2 3.86Å; L38-Y101 HydrophobicContact CD2-CG 4.21Å; Y101-G103 PolarHBondContact O-N 3.2Å; Y101-Q104 PolarHBondContact N-O 3.21Å; Y101-Q104 PolarHBondContact O-N 3.21Å; Y101-I151 HydrophobicContact CD1-CD1 4.18Å; Y101-W153 HydrophobicContact CD1-CD2 4.36Å; Y101-W153 AromaticContact CD1-CE3 3.53Å; Y101-W153 HydrophobicContact CD1-CE3 3.53Å; Y101-W153 AromaticContact CD1-CZ3 3.9Å; Y101-W153 HydrophobicContact CD1-CZ3 3.9Å; Y101-W153 AromaticContact CE1-CE3 3.89Å; Y101-W153 HydrophobicContact CE1-CE3 3.89Å; Y101-W153 HydrophobicContact CG-CE3 4.22Å; Y101-W153 HydrophobicContact CG-CZ3 4.12Å
102	R	94.1	Very high	97.6	Very high	52 Å²	52	30.7 Å²	30.7	20%	0.196	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	41.1	-176.3	-59.3	179.3	166.9	-121.7	-11	112.8	S35 E36 Q104 E154 D155	S35-R102 PolarHBondContact OG-NH2 2.81Å; E36-R102 WeakPolarHBondContact OE1-CG 3.26Å; E36-R102 IonicContact OE1-CZ 3.89Å; E36-R102 IonicContact OE1-NE 3.1Å; E36-R102 PolarHBondContact OE1-NE 3.43Å; E36-R102 IonicContact OE1-NH1 3.44Å; E36-R102 PolarHBondContact OE1-NH1 2.84Å; E36-R102 IonicContact OE1-NH2 3.62Å; E36-R102 PolarHBondContact OE1-NH2 2.82Å; R102-Q104 PolarHBondContact O-N 3.09Å; R102-Q104 VanDerWaalsContact O-N 3.11Å; R102-E154 PolarHBondContact NH1-O 2.85Å; R102-D155 IonicContact CZ-OD2 2.77Å; R102-D155 IonicContact NH1-OD1 2.62Å; R102-D155 IonicContact NH1-OD2 2.76Å; R102-D155 PolarHBondContact NH1-OD2 3Å; R102-D155 IonicContact NH2-OD2 2.79Å; R102-D155 PolarHBondContact NH2-OD2 3.1Å
103	G	95.1	Very high	97.6	Very high	74 Å²	74	26.2 Å²	26.2	76%	0.763	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	6.2	-177.6	0	0	0	0	0	115.3	Y101	Y101-G103 PolarHBondContact O-N 3.2Å
104	Q	97	Very high	97.6	Very high	70 Å²	70	27.5 Å²	27.5	33%	0.327	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.3	178.4	-63.8	166.3	81	0	0	109.5	T100 Y101 R102 F106 I151 N152	T100-Q104 VanDerWaalsContact CA-O 3.31Å; T100-Q104 WeakPolarHBondContact CA-O 3.43Å; Y101-Q104 PolarHBondContact N-O 3.21Å; Y101-Q104 PolarHBondContact O-N 3.21Å; R102-Q104 PolarHBondContact O-N 3.09Å; R102-Q104 VanDerWaalsContact O-N 3.11Å; Q104-F106 PolarHBondContact O-N 3Å; Q104-I151 HydrophobicContact CB-CB 3.82Å; Q104-I151 HydrophobicContact CB-CD1 4.32Å; Q104-I151 HydrophobicContact CB-CG2 3.6Å; Q104-N152 PolarHBondContact NE2-O 2.9Å
105	E	97.8	Very high	97.6	Very high	48 Å²	48	25.8 Å²	25.8	22%	0.224	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.9	172.8	-172.1	-176.7	143.7	0	0	110.2	T100 R108 F149 I151	T100-E105 HydrophobicContact CG2-CB 4.04Å; T100-E105 HydrophobicContact CG2-CG 4.43Å; E105-R108 VanDerWaalsContact CD-NH2 3.32Å; E105-R108 WeakPolarHBondContact OE1-CB 3.31Å; E105-R108 IonicContact OE1-CZ 2.73Å; E105-R108 VanDerWaalsContact OE1-CZ 3.31Å; E105-R108 IonicContact OE1-NE 3.98Å; E105-R108 PolarHBondContact OE1-NE 2.77Å; E105-R108 IonicContact OE1-NH2 2.96Å; E105-R108 PolarHBondContact OE1-NH2 2.62Å; E105-R108 VanDerWaalsContact OE1-NH2 3.1Å; E105-R108 IonicContact OE2-CZ 3.78Å; E105-R108 IonicContact OE2-NE 3.31Å; E105-R108 IonicContact OE2-NH2 3.49Å; E105-R108 PolarHBondContact OE2-NH2 2.91Å; E105-F149 HydrophobicContact CG-CD2 4.2Å; E105-F149 HydrophobicContact CG-CE2 4.25Å; E105-F149 WeakPolarHBondContact O-CB 3.31Å; E105-F149 VanDerWaalsContact OE1-CE2 3.24Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.4Å; E105-I151 VanDerWaalsContact O-CG2 3.27Å; E105-I151 WeakPolarHBondContact O-CG2 3.39Å
106	F	97.3	Very high	97.6	Very high	7 Å²	7	29 Å²	29	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-16.2	178	68.9	-88	0	0	0	113.3	V4 L38 C99 Q104 R148 F149 I151 W153	V4-F106 HydrophobicContact CB-CE2 3.84Å; V4-F106 HydrophobicContact CB-CZ 3.87Å; V4-F106 HydrophobicContact CG1-CE2 3.98Å; V4-F106 HydrophobicContact CG1-CZ 3.9Å; L38-F106 HydrophobicContact CD2-CE1 3.85Å; L38-F106 HydrophobicContact CD2-CZ 4.11Å; C99-F106 HydrophobicContact CB-CE1 3.77Å; C99-F106 HydrophobicContact CB-CE2 4.49Å; C99-F106 HydrophobicContact CB-CZ 3.72Å; C99-F106 VanDerWaalsContact O-CD1 3.31Å; C99-F106 WeakPolarHBondContact O-CD1 3.28Å; C99-F106 PolarHBondContact O-N 2.87Å; C99-F106 VanDerWaalsContact O-N 3.07Å; C99-F106 WeakPolarHBondContact SG-CE1 3.38Å; C99-F106 WeakPolarHBondContact SG-CZ 3.42Å; Q104-F106 PolarHBondContact O-N 3Å; F106-R148 WeakPolarHBondContact O-CA 3.17Å; F106-F149 PolarHBondContact O-N 3.2Å; F106-I151 HydrophobicContact CB-CB 4.46Å; F106-I151 HydrophobicContact CB-CD1 3.78Å; F106-I151 HydrophobicContact CB-CG1 3.86Å; F106-I151 HydrophobicContact CB-CG2 3.75Å; F106-I151 HydrophobicContact CD1-CD1 4.05Å; F106-I151 HydrophobicContact CG-CD1 4.22Å; F106-W153 HydrophobicContact CB-CZ2 4.2Å; F106-W153 HydrophobicContact CD1-CH2 4.02Å; F106-W153 AromaticContact CD2-CH2 3.86Å; F106-W153 HydrophobicContact CD2-CH2 3.86Å; F106-W153 HydrophobicContact CD2-CZ2 4.06Å; F106-W153 HydrophobicContact CE1-CH2 4.17Å; F106-W153 HydrophobicContact CE2-CH2 4.01Å; F106-W153 AromaticContact CG-CH2 3.86Å; F106-W153 HydrophobicContact CG-CH2 3.86Å; F106-W153 HydrophobicContact CG-CZ2 4.02Å; F106-W153 HydrophobicContact CZ-CH2 4.16Å
107	I	98	Very high	97.6	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	142.4	175	-166.4	170.5	0	0	0	112.1	V6 T98 C99 V109 V146 T147 R148	V6-I107 HydrophobicContact CB-CD1 3.71Å; V6-I107 HydrophobicContact CG2-CD1 3.61Å; V6-I107 HydrophobicContact CG2-CG2 3.98Å; T98-I107 WeakPolarHBondContact CA-O 3.27Å; C99-I107 HydrophobicContact CB-CG2 3.62Å; C99-I107 PolarHBondContact N-O 2.87Å; I107-V109 HydrophobicContact CD1-CG2 4.46Å; I107-V109 HydrophobicContact CG1-CG2 4.43Å; I107-V146 HydrophobicContact CD1-CG1 3.95Å; I107-V146 HydrophobicContact CG1-CG1 4.13Å; I107-T147 WeakPolarHBondContact CA-O 3.21Å; I107-R148 HydrophobicContact CD1-CG 4.42Å; I107-R148 HydrophobicContact CG1-CG 4.29Å
108	R	98.2	Very high	97.3	Very high	84 Å²	84	31.8 Å²	31.8	32%	0.317	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.7	172.9	-168.7	171.7	-66	-166.9	-2.9	109.4	L96 I97 T98 E105 V146 T147 F149	L96-R108 HydrophobicContact CD2-CG 4.21Å; I97-R108 CarbonylContact O-C 3.6Å; I97-R108 WeakPolarHBondContact O-CA 3.29Å; T98-R108 HydrophobicContact CG2-CB 4.47Å; T98-R108 HydrophobicContact CG2-CG 4Å; E105-R108 VanDerWaalsContact CD-NH2 3.32Å; E105-R108 WeakPolarHBondContact OE1-CB 3.31Å; E105-R108 IonicContact OE1-CZ 2.73Å; E105-R108 VanDerWaalsContact OE1-CZ 3.31Å; E105-R108 IonicContact OE1-NE 3.98Å; E105-R108 PolarHBondContact OE1-NE 2.77Å; E105-R108 IonicContact OE1-NH2 2.96Å; E105-R108 PolarHBondContact OE1-NH2 2.62Å; E105-R108 VanDerWaalsContact OE1-NH2 3.1Å; E105-R108 IonicContact OE2-CZ 3.78Å; E105-R108 IonicContact OE2-NE 3.31Å; E105-R108 IonicContact OE2-NH2 3.49Å; E105-R108 PolarHBondContact OE2-NH2 2.91Å; R108-V146 WeakPolarHBondContact O-CA 3.14Å; R108-T147 PolarHBondContact N-O 2.88Å; R108-T147 PolarHBondContact O-N 2.78Å; R108-F149 HydrophobicContact CB-CE2 4.2Å
109	V	98.3	Very high	97.1	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.4	173	-174.6	0	0	0	0	108	L96 I97 I107 Y111 P144 R145 V146	L96-V109 CarbonylContact C-O 3.58Å; L96-V109 WeakPolarHBondContact CA-O 3.45Å; I97-V109 HydrophobicContact CB-CB 4.36Å; I97-V109 PolarHBondContact N-O 2.89Å; I97-V109 PolarHBondContact O-N 2.8Å; I107-V109 HydrophobicContact CD1-CG2 4.46Å; I107-V109 HydrophobicContact CG1-CG2 4.43Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE2 3.71Å; V109-P144 HydrophobicContact CG1-CB 4.09Å; V109-R145 CarbonylContact C-O 3.55Å; V109-R145 WeakPolarHBondContact CA-O 3.36Å; V109-V146 HydrophobicContact CG1-CG2 4.36Å; V109-V146 HydrophobicContact CG2-CG2 4.36Å
110	G	98.2	Very high	97	Very high	6 Å²	6	38.9 Å²	38.9	6%	0.062	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.3	177.4	0	0	0	0	0	112.4	V95 R145	V95-G110 CarbonylContact O-C 3.54Å; V95-G110 WeakPolarHBondContact O-CA 3.44Å; G110-R145 PolarHBondContact N-O 2.76Å; G110-R145 PolarHBondContact O-N 2.81Å
111	Y	98.4	Very high	96.8	Very high	6 Å²	6	45.6 Å²	45.6	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.9	168.7	-69.5	-84.4	0	0	0	109.9	V9 V11 F24 V94 V95 I97 V109 I139 P144	V9-Y111 HydrophobicContact CG1-CE2 4.12Å; V9-Y111 PolarHBondContact O-OH 2.8Å; V11-Y111 HydrophobicContact CG2-CD1 4.42Å; V11-Y111 HydrophobicContact CG2-CE1 4.02Å; V11-Y111 HydrophobicContact CG2-CE2 4.26Å; F24-Y111 HydrophobicContact CE1-CD2 4.21Å; F24-Y111 HydrophobicContact CE1-CE2 4.26Å; V94-Y111 CarbonylContact C-O 3.54Å; V94-Y111 VanDerWaalsContact CA-O 3.28Å; V94-Y111 WeakPolarHBondContact CA-O 3.35Å; V95-Y111 PolarHBondContact N-O 3.28Å; V95-Y111 PolarHBondContact O-N 2.91Å; I97-Y111 HydrophobicContact CD1-CE2 4.41Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE2 3.71Å; Y111-I139 HydrophobicContact CD1-CG2 4.14Å; Y111-I139 HydrophobicContact CG-CG2 3.88Å; Y111-P144 HydrophobicContact CD1-CB 4.25Å; Y111-P144 HydrophobicContact CE1-CB 3.61Å; Y111-P144 HydrophobicContact CE1-CG 4.26Å
112	Y	97.9	Very high	96.7	Very high	100 Å²	100	47.2 Å²	47.2	39%	0.392	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.5	163.6	-70.7	-67.6	0	0	0	109.9	V92 T93 V94 L140	V92-Y112 HydrophobicContact CG1-CD1 3.73Å; V92-Y112 HydrophobicContact CG1-CG 4.33Å; T93-Y112 CarbonylContact O-C 3.58Å; T93-Y112 WeakPolarHBondContact O-CA 3.31Å; V94-Y112 HydrophobicContact CG2-CD1 3.83Å; V94-Y112 HydrophobicContact CG2-CE1 3.98Å; Y112-L140 PolarHBondContact O-N 3.44Å
113	V	98	Very high	96.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.7	179	-176.2	0	0	0	0	107.3	V92 T93 V95 R137 I139	V92-V113 CarbonylContact C-O 3.5Å; V92-V113 VanDerWaalsContact CA-O 3.31Å; V92-V113 WeakPolarHBondContact CA-O 3.45Å; T93-V113 HydrophobicContact CG2-CB 4.06Å; T93-V113 PolarHBondContact N-O 2.98Å; T93-V113 PolarHBondContact O-N 2.63Å; V95-V113 HydrophobicContact CB-CG2 3.85Å; V95-V113 HydrophobicContact CG1-CG2 3.53Å; V113-R137 HydrophobicContact CG1-CG 3.27Å; V113-I139 HydrophobicContact CG1-CG1 4.48Å; V113-I139 HydrophobicContact CG2-CG1 4.22Å
114	N	97.8	Very high	96.7	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.3	173	-172.8	41.3	0	0	0	109.2	G91 V92 E116 N138	G91-N114 CarbonylContact O-C 3.58Å; G91-N114 WeakPolarHBondContact O-CA 3.39Å; G91-N114 PolarHBondContact O-OD1 3.07Å; V92-N114 HydrophobicContact CG2-CB 4.44Å; N114-E116 PolarHBondContact ND2-OE2 3.17Å; N114-N138 PolarHBondContact N-O 2.84Å; N114-N138 PolarHBondContact O-N 2.91Å
115	N	98	Very high	96.6	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.1	171.7	-54.6	-44.7	0	0	0	108.8	Y44 A89 G91 L135 Q136	Y44-N115 PolarHBondContact OH-ND2 2.78Å; A89-N115 WeakPolarHBondContact O-CB 3.5Å; A89-N115 PolarHBondContact O-ND2 3.45Å; G91-N115 PolarHBondContact N-O 3.16Å; G91-N115 PolarHBondContact O-N 3Å; N115-L135 HydrophobicContact CB-CD1 4.37Å; N115-Q136 WeakPolarHBondContact CA-O 3.43Å
116	E	97.4	Very high	96.4	Very high	68 Å²	68	58.3 Å²	58.3	32%	0.318	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.4	-179.4	64	-177.1	-170.7	0	0	112.1	N114 Q136	N114-E116 PolarHBondContact ND2-OE2 3.17Å; E116-Q136 PolarHBondContact N-O 3Å; E116-Q136 PolarHBondContact O-N 2.82Å
117	Y	97.8	Very high	96.2	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.02	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.8	170.2	-65.6	-67.4	0	0	0	110.1	V90 L122 R123 P126 P127 P130 D131 K134 L135	V90-Y117 HydrophobicContact CG1-CD2 4.46Å; V90-Y117 HydrophobicContact CG1-CE2 4.33Å; V90-Y117 HydrophobicContact CG2-CE2 3.81Å; Y117-L122 HydrophobicContact CD1-CB 3.95Å; Y117-L122 HydrophobicContact CD1-CD1 3.83Å; Y117-L122 HydrophobicContact CD2-CB 3.96Å; Y117-L122 WeakPolarHBondContact CD2-O 3.31Å; Y117-L122 HydrophobicContact CE1-CD1 4.3Å; Y117-L122 HydrophobicContact CG-CB 3.6Å; Y117-L122 HydrophobicContact CG-CD1 4.33Å; Y117-R123 WeakPolarHBondContact O-CD 3.34Å; Y117-R123 WeakPolarHBondContact O-CG 3.41Å; Y117-P126 HydrophobicContact CE2-CB 4.01Å; Y117-P127 WeakPolarHBondContact OH-CG 3.37Å; Y117-P130 WeakPolarHBondContact OH-CA 3.4Å; Y117-D131 HydrophobicContact CE1-CB 4.43Å; Y117-D131 PolarHBondContact OH-N 3.33Å; Y117-D131 VanDerWaalsContact OH-N 3.08Å; Y117-K134 HydrophobicContact CD1-CB 3.82Å; Y117-K134 HydrophobicContact CE1-CB 4.09Å; Y117-L135 HydrophobicContact CD1-CD2 3.61Å; Y117-L135 HydrophobicContact CD1-CG 4.33Å; Y117-L135 HydrophobicContact CD2-CD2 4.24Å; Y117-L135 HydrophobicContact CE1-CD2 3.57Å; Y117-L135 HydrophobicContact CE1-CG 4.04Å; Y117-L135 HydrophobicContact CE2-CD2 4.2Å; Y117-L135 HydrophobicContact CG-CD2 3.95Å
118	T	93.6	Very high	96	Very high	77 Å²	77	67.3 Å²	67.3	47%	0.472	34%	0.341	S	S	.	.	S	Bend	trans	-79.3	-27.5	175.2	53.8	0	0	0	0	112.4	Q136	T118-Q136 HydrophobicContact CG2-CB 3.43Å; T118-Q136 VanDerWaalsContact CG2-CB 3.43Å; T118-Q136 HydrophobicContact CG2-CG 4.28Å
119	E	94.3	Very high	95.9	Very high	80 Å²	80	70.9 Å²	70.9	37%	0.374	36%	0.358	S	S	.	.	S	Bend	trans	-81.1	126.9	179.9	-64.1	177.4	-173.2	0	0	110.9	E121 L122 R123 K134	E119-E121 VanDerWaalsContact C-N 3.28Å; E119-E121 PolarHBondContact O-N 3.22Å; E119-L122 HydrophobicContact CB-CB 4.42Å; E119-L122 HydrophobicContact CB-CD1 4.17Å; E119-L122 HydrophobicContact CB-CG 4.25Å; E119-L122 PolarHBondContact O-N 3.34Å; E119-L122 WeakPolarHBondContact OE2-CD1 3.44Å; E119-R123 PolarHBondContact O-N 2.91Å; E119-R123 VanDerWaalsContact O-N 3.16Å; E119-K134 IonicContact OE1-NZ 3.07Å; E119-K134 PolarHBondContact OE1-NZ 3.39Å; E119-K134 IonicContact OE2-NZ 2.68Å
120	T	94.5	Very high	95.8	Very high	72 Å²	72	71.1 Å²	71.1	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-55.9	-41.5	-177.8	-57.3	0	0	0	0	112.7	L122 R123 E124	T120-L122 PolarHBondContact O-N 2.89Å; T120-R123 PolarHBondContact O-N 3.03Å; T120-E124 HydrophobicContact CG2-CG 4.44Å; T120-E124 PolarHBondContact O-N 3.43Å
121	E	94.8	Very high	95.7	Very high	157 Å²	157	74 Å²	74	73%	0.734	37%	0.374	S	S	*	.	H	α-helix	trans	-61.1	-42.5	-179.1	-62.9	-177.3	180	0	0	112.2	E119 R123 E124 N125	E119-E121 VanDerWaalsContact C-N 3.28Å; E119-E121 PolarHBondContact O-N 3.22Å; E121-R123 VanDerWaalsContact C-N 3.34Å; E121-E124 PolarHBondContact O-N 3.19Å; E121-N125 PolarHBondContact O-N 2.9Å
122	L	95	Very high	95.6	Very high	37 Å²	37	74.4 Å²	74.4	19%	0.194	38%	0.376	C	S	.	.	H	α-helix	trans	-72.6	-26	178.3	-64.8	178.5	0	0	0	112.7	Y117 E119 T120 N125 P126 K134	Y117-L122 HydrophobicContact CD1-CB 3.95Å; Y117-L122 HydrophobicContact CD1-CD1 3.83Å; Y117-L122 HydrophobicContact CD2-CB 3.96Å; Y117-L122 WeakPolarHBondContact CD2-O 3.31Å; Y117-L122 HydrophobicContact CE1-CD1 4.3Å; Y117-L122 HydrophobicContact CG-CB 3.6Å; Y117-L122 HydrophobicContact CG-CD1 4.33Å; E119-L122 HydrophobicContact CB-CB 4.42Å; E119-L122 HydrophobicContact CB-CD1 4.17Å; E119-L122 HydrophobicContact CB-CG 4.25Å; E119-L122 PolarHBondContact O-N 3.34Å; E119-L122 WeakPolarHBondContact OE2-CD1 3.44Å; T120-L122 PolarHBondContact O-N 2.89Å; L122-N125 CarbonylContact O-C 3.48Å; L122-P126 WeakPolarHBondContact O-CA 3.34Å; L122-P126 VanDerWaalsContact O-N 3.16Å; L122-K134 HydrophobicContact CD1-CB 3.79Å; L122-K134 HydrophobicContact CD1-CD 4.49Å; L122-K134 HydrophobicContact CD1-CG 3.91Å
123	R	93.2	Very high	95.6	Very high	137 Å²	137	73.2 Å²	73.2	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-73.3	-41.5	172.4	-65.6	-172	-50.2	-171.2	3.1	112.2	Y117 E119 T120 E121	Y117-R123 WeakPolarHBondContact O-CD 3.34Å; Y117-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 2.91Å; E119-R123 VanDerWaalsContact O-N 3.16Å; T120-R123 PolarHBondContact O-N 3.03Å; E121-R123 VanDerWaalsContact C-N 3.34Å
124	E	94.8	Very high	95.5	Very high	141 Å²	141	76.8 Å²	76.8	66%	0.659	40%	0.398	S	S	*	.	H	α-helix	trans	-73.2	-35.6	-180	-70.5	-179.2	-174.6	0	0	111.6	T120 E121	T120-E124 HydrophobicContact CG2-CG 4.44Å; T120-E124 PolarHBondContact O-N 3.43Å; E121-E124 PolarHBondContact O-N 3.19Å
125	N	94.5	Very high	95.5	Very high	120 Å²	120	75.2 Å²	75.2	64%	0.642	39%	0.39	S	S	*	.	S	Bend	trans	-132.9	75.9	-179.6	-58.7	-79.7	0	0	0	110.1	E121 L122	E121-N125 PolarHBondContact O-N 2.9Å; L122-N125 CarbonylContact O-C 3.48Å
126	P	93.5	Very high	95.5	Very high	79 Å²	79	78 Å²	78	51%	0.513	40%	0.402	S	S	.	.			trans	-62.2	138.3	-179.9	25.6	-33.9	0	0	0	110.6	Y117 L122	Y117-P126 HydrophobicContact CE2-CB 4.01Å; L122-P126 WeakPolarHBondContact O-CA 3.34Å; L122-P126 VanDerWaalsContact O-N 3.16Å
127	P	94.5	Very high	95.6	Very high	51 Å²	51	74.8 Å²	74.8	33%	0.331	39%	0.387	S	S	.	.			trans	-63.9	149.3	176.4	28.4	-35	0	0	0	110.2	Y117 K129	Y117-P127 WeakPolarHBondContact OH-CG 3.37Å; P127-K129 WeakPolarHBondContact CB-O 3.12Å; P127-K129 WeakPolarHBondContact CG-O 3.4Å; P127-K129 PolarHBondContact O-N 3.23Å
128	V	93.9	Very high	95.6	Very high	149 Å²	149	76.8 Å²	76.8	90%	0.903	40%	0.398	S	S	*	.	S	Bend	trans	-57.2	-39.1	177.9	177.7	0	0	0	0	111.3
129	K	95.4	Very high	95.8	Very high	159 Å²	159	73.3 Å²	73.3	69%	0.691	38%	0.377	S	S	*	.	S	Bend	trans	-100.9	121.8	171.2	-173.2	173.1	-175	174.1	0	108.9	P127 D131	P127-K129 WeakPolarHBondContact CB-O 3.12Å; P127-K129 WeakPolarHBondContact CG-O 3.4Å; P127-K129 PolarHBondContact O-N 3.23Å; K129-D131 PolarHBondContact O-N 2.92Å
130	P	96.3	Very high	96	Very high	12 Å²	12	73 Å²	73	8%	0.078	38%	0.377	C	S	.	.			trans	-58.6	134	179.5	-25.3	33.9	0	0	0	113.1	D86 A89 V90 Y117 F132	D86-P130 HydrophobicContact CB-CG 4.07Å; D86-P130 VanDerWaalsContact O-CG 3.31Å; D86-P130 WeakPolarHBondContact O-CG 3.32Å; A89-P130 HydrophobicContact CB-CB 3.64Å; A89-P130 HydrophobicContact CB-CG 3.55Å; V90-P130 HydrophobicContact CG2-CB 4.35Å; Y117-P130 WeakPolarHBondContact OH-CA 3.4Å; P130-F132 HydrophobicContact CB-CD2 4.38Å; P130-F132 HydrophobicContact CB-CE2 4Å
131	D	96.2	Very high	96	Very high	66 Å²	66	71.6 Å²	71.6	35%	0.353	37%	0.373	S	S	.	.			trans	-100.2	91.4	172.6	-175.4	-1.9	0	0	0	110.3	Y117 K129 S133 K134	Y117-D131 HydrophobicContact CE1-CB 4.43Å; Y117-D131 PolarHBondContact OH-N 3.33Å; Y117-D131 VanDerWaalsContact OH-N 3.08Å; K129-D131 PolarHBondContact O-N 2.92Å; D131-S133 VanDerWaalsContact CG-OG 3.29Å; D131-S133 PolarHBondContact O-N 3.37Å; D131-S133 VanDerWaalsContact O-N 3.1Å; D131-S133 VanDerWaalsContact OD1-CB 3.32Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 2.84Å; D131-S133 PolarHBondContact OD1-OG 3.35Å; D131-S133 PolarHBondContact OD2-OG 2.83Å; D131-K134 HydrophobicContact CB-CG 4.47Å; D131-K134 PolarHBondContact O-N 2.82Å; D131-K134 WeakPolarHBondContact OD2-CG 3.43Å
132	F	97.1	Very high	96	Very high	15 Å²	15	68.8 Å²	68.8	7%	0.066	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-59.6	-20.8	179.6	-67.5	-96.1	0	0	0	113.9	F18 Y19 P81 I84 A89 P130 K134 L135	F18-F132 HydrophobicContact CD1-CB 4.11Å; F18-F132 AromaticContact CD1-CD1 3.78Å; F18-F132 HydrophobicContact CD1-CD1 3.78Å; F18-F132 HydrophobicContact CD1-CG 4.42Å; F18-F132 AromaticContact CD2-CD1 4Å; F18-F132 HydrophobicContact CD2-CD1 4Å; F18-F132 HydrophobicContact CE1-CB 4.46Å; F18-F132 AromaticContact CE1-CD1 3.5Å; F18-F132 HydrophobicContact CE1-CD1 3.5Å; F18-F132 VanDerWaalsContact CE1-CD1 3.5Å; F18-F132 HydrophobicContact CE1-CE1 4.11Å; F18-F132 HydrophobicContact CE1-CG 4.34Å; F18-F132 AromaticContact CE2-CD1 3.69Å; F18-F132 HydrophobicContact CE2-CD1 3.69Å; F18-F132 AromaticContact CE2-CE1 3.9Å; F18-F132 HydrophobicContact CE2-CE1 3.9Å; F18-F132 HydrophobicContact CG-CD1 4.02Å; F18-F132 AromaticContact CZ-CD1 3.42Å; F18-F132 HydrophobicContact CZ-CD1 3.42Å; F18-F132 VanDerWaalsContact CZ-CD1 3.42Å; F18-F132 AromaticContact CZ-CE1 3.62Å; F18-F132 HydrophobicContact CZ-CE1 3.62Å; Y19-F132 HydrophobicContact CE2-CB 3.98Å; Y19-F132 WeakPolarHBondContact OH-CB 3.31Å; P81-F132 HydrophobicContact CB-CB 4.37Å; P81-F132 HydrophobicContact CB-CD1 3.86Å; P81-F132 HydrophobicContact CB-CD2 3.53Å; P81-F132 HydrophobicContact CB-CE1 3.91Å; P81-F132 HydrophobicContact CB-CE2 3.58Å; P81-F132 HydrophobicContact CB-CG 3.66Å; P81-F132 HydrophobicContact CB-CZ 3.75Å; P81-F132 HydrophobicContact CG-CB 4.28Å; P81-F132 HydrophobicContact CG-CD1 4.22Å; P81-F132 HydrophobicContact CG-CD2 4.34Å; P81-F132 HydrophobicContact CG-CG 4.04Å; I84-F132 HydrophobicContact CB-CZ 4.25Å; I84-F132 HydrophobicContact CD1-CE1 3.98Å; I84-F132 HydrophobicContact CD1-CZ 4.44Å; I84-F132 HydrophobicContact CG2-CZ 4.4Å; A89-F132 HydrophobicContact CB-CE1 3.88Å; A89-F132 HydrophobicContact CB-CE2 4.2Å; A89-F132 HydrophobicContact CB-CZ 3.46Å; A89-F132 VanDerWaalsContact CB-CZ 3.46Å; P130-F132 HydrophobicContact CB-CD2 4.38Å; P130-F132 HydrophobicContact CB-CE2 4Å; F132-K134 PolarHBondContact O-N 2.81Å; F132-L135 HydrophobicContact CD1-CD1 3.84Å; F132-L135 HydrophobicContact CE1-CD1 4.33Å; F132-L135 HydrophobicContact CG-CD1 4.24Å; F132-L135 PolarHBondContact O-N 3.15Å
133	S	96.7	Very high	95.9	Very high	74 Å²	74	72.1 Å²	72.1	52%	0.517	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-70	-18	176.2	76.7	0	0	0	0	113.2	D131	D131-S133 VanDerWaalsContact CG-OG 3.29Å; D131-S133 PolarHBondContact O-N 3.37Å; D131-S133 VanDerWaalsContact O-N 3.1Å; D131-S133 VanDerWaalsContact OD1-CB 3.32Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 2.84Å; D131-S133 PolarHBondContact OD1-OG 3.35Å; D131-S133 PolarHBondContact OD2-OG 2.83Å
134	K	96.8	Very high	96.1	Very high	76 Å²	76	68.2 Å²	68.2	33%	0.33	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-105.8	-2.8	179.7	-62.3	-65.9	-170	161.4	0	113.2	Y117 E119 L122 D131 F132	Y117-K134 HydrophobicContact CD1-CB 3.82Å; Y117-K134 HydrophobicContact CE1-CB 4.09Å; E119-K134 IonicContact OE1-NZ 3.07Å; E119-K134 PolarHBondContact OE1-NZ 3.39Å; E119-K134 IonicContact OE2-NZ 2.68Å; L122-K134 HydrophobicContact CD1-CB 3.79Å; L122-K134 HydrophobicContact CD1-CD 4.49Å; L122-K134 HydrophobicContact CD1-CG 3.91Å; D131-K134 HydrophobicContact CB-CG 4.47Å; D131-K134 PolarHBondContact O-N 2.82Å; D131-K134 WeakPolarHBondContact OD2-CG 3.43Å; F132-K134 PolarHBondContact O-N 2.81Å
135	L	97.6	Very high	96.2	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.021	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.1	177.2	-67.9	179.4	0	0	0	111.1	F18 V90 N115 Y117 F132	F18-L135 HydrophobicContact CB-CB 3.93Å; F18-L135 PolarHBondContact N-O 3.37Å; V90-L135 HydrophobicContact CG2-CD1 4.4Å; V90-L135 HydrophobicContact CG2-CD2 4.02Å; N115-L135 HydrophobicContact CB-CD1 4.37Å; Y117-L135 HydrophobicContact CD1-CD2 3.61Å; Y117-L135 HydrophobicContact CD1-CG 4.33Å; Y117-L135 HydrophobicContact CD2-CD2 4.24Å; Y117-L135 HydrophobicContact CE1-CD2 3.57Å; Y117-L135 HydrophobicContact CE1-CG 4.04Å; Y117-L135 HydrophobicContact CE2-CD2 4.2Å; Y117-L135 HydrophobicContact CG-CD2 3.95Å; F132-L135 HydrophobicContact CD1-CD1 3.84Å; F132-L135 HydrophobicContact CE1-CD1 4.33Å; F132-L135 HydrophobicContact CG-CD1 4.24Å; F132-L135 PolarHBondContact O-N 3.15Å
136	Q	98.4	Very high	96.4	Very high	58 Å²	58	67.1 Å²	67.1	27%	0.271	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.2	164.2	175.7	172.9	97.2	0	0	108.5	P15 N115 E116 T118	P15-Q136 HydrophobicContact CB-CG 3.96Å; N115-Q136 WeakPolarHBondContact CA-O 3.43Å; E116-Q136 PolarHBondContact N-O 3Å; E116-Q136 PolarHBondContact O-N 2.82Å; T118-Q136 HydrophobicContact CG2-CB 3.43Å; T118-Q136 VanDerWaalsContact CG2-CB 3.43Å; T118-Q136 HydrophobicContact CG2-CG 4.28Å
137	R	98.3	Very high	96.5	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.008	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.4	173.9	-174.6	-177.8	62.9	-134.2	0.3	108.9	P15 S16 F18 N20 P21 V113 I139	P15-R137 WeakPolarHBondContact CA-O 3.14Å; S16-R137 PolarHBondContact N-O 3.46Å; S16-R137 PolarHBondContact O-N 2.94Å; S16-R137 PolarHBondContact OG-NH2 3.35Å; F18-R137 PolarHBondContact O-NH1 3.27Å; N20-R137 PolarHBondContact O-NH1 3.08Å; N20-R137 PolarHBondContact O-NH2 3.3Å; P21-R137 PolarHBondContact O-NH2 3.14Å; V113-R137 HydrophobicContact CG1-CG 3.27Å; R137-I139 HydrophobicContact CG-CG1 4.4Å
138	N	98.3	Very high	96.6	Very high	46 Å²	46	70.6 Å²	70.6	25%	0.246	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.3	172.4	-178.5	16	0	0	0	110.1	P15 N114	P15-N138 HydrophobicContact CB-CB 4.07Å; N114-N138 PolarHBondContact N-O 2.84Å; N114-N138 PolarHBondContact O-N 2.91Å
139	I	98.4	Very high	96.8	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.026	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.4	174.8	-54.8	174.9	0	0	0	108.1	V11 N14 F22 F24 Y111 V113 R137 A141	V11-I139 HydrophobicContact CG1-CB 4.01Å; V11-I139 HydrophobicContact CG1-CD1 3.66Å; V11-I139 HydrophobicContact CG1-CG1 4.38Å; V11-I139 HydrophobicContact CG1-CG2 4.07Å; V11-I139 HydrophobicContact CG2-CG2 4.11Å; N14-I139 PolarHBondContact ND2-O 2.71Å; N14-I139 PolarHBondContact OD1-N 3.14Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.74Å; F22-I139 HydrophobicContact CE1-CG1 4.39Å; F24-I139 HydrophobicContact CZ-CD1 4.39Å; Y111-I139 HydrophobicContact CD1-CG2 4.14Å; Y111-I139 HydrophobicContact CG-CG2 3.88Å; V113-I139 HydrophobicContact CG1-CG1 4.48Å; V113-I139 HydrophobicContact CG2-CG1 4.22Å; R137-I139 HydrophobicContact CG-CG1 4.4Å; I139-A141 PolarHBondContact O-N 2.83Å
140	L	97.1	Very high	96.8	Very high	72 Å²	72	69.2 Å²	69.2	38%	0.377	36%	0.359	S	S	.	.			trans	-75.8	71.7	178.2	-65.7	176.9	0	0	0	110.8	Y112 S142 N143	Y112-L140 PolarHBondContact O-N 3.44Å; L140-S142 PolarHBondContact O-N 2.97Å; L140-S142 VanDerWaalsContact O-N 3.15Å; L140-N143 PolarHBondContact O-N 2.82Å
141	A	96.1	Very high	96.8	Very high	44 Å²	44	69.7 Å²	69.7	36%	0.364	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.4	-172.2	0	0	0	0	0	114.6	V11 I139 N143	V11-A141 HydrophobicContact CB-CB 3.9Å; V11-A141 HydrophobicContact CG2-CB 3.62Å; I139-A141 PolarHBondContact O-N 2.83Å; A141-N143 VanDerWaalsContact C-N 3.31Å; A141-N143 PolarHBondContact O-N 3Å
142	S	94.7	Very high	96.6	Very high	97 Å²	97	69.4 Å²	69.4	68%	0.678	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.2	-178.2	56.2	0	0	0	0	114.3	L140 P144	L140-S142 PolarHBondContact O-N 2.97Å; L140-S142 VanDerWaalsContact O-N 3.15Å; S142-P144 VanDerWaalsContact C-CD 3.49Å
143	N	93.2	Very high	96.4	Very high	108 Å²	108	69.5 Å²	69.5	58%	0.578	36%	0.359	S	S	*	.	S	Bend	trans	-132.6	61.3	-171	-67.9	87.3	0	0	0	112.1	L140 A141	L140-N143 PolarHBondContact O-N 2.82Å; A141-N143 VanDerWaalsContact C-N 3.31Å; A141-N143 PolarHBondContact O-N 3Å
144	P	96.5	Very high	96	Very high	55 Å²	55	71 Å²	71	36%	0.357	36%	0.357	S	S	.	.			trans	-62	141.5	173.9	26.2	-32.7	0	0	0	111.2	V109 Y111 S142 V146	V109-P144 HydrophobicContact CG1-CB 4.09Å; Y111-P144 HydrophobicContact CD1-CB 4.25Å; Y111-P144 HydrophobicContact CE1-CB 3.61Å; Y111-P144 HydrophobicContact CE1-CG 4.26Å; S142-P144 VanDerWaalsContact C-CD 3.49Å; P144-V146 HydrophobicContact CB-CG2 4.45Å
145	R	97.2	Very high	94.9	Very high	163 Å²	163	70.5 Å²	70.5	62%	0.615	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	108.9	168.7	-63.9	-61.1	-173.4	173.2	-0.3	108.6	V109 G110	V109-R145 CarbonylContact C-O 3.55Å; V109-R145 WeakPolarHBondContact CA-O 3.36Å; G110-R145 PolarHBondContact N-O 2.76Å; G110-R145 PolarHBondContact O-N 2.81Å
146	V	97.3	Very high	93.4	Very high	74 Å²	74	75 Å²	75	45%	0.448	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.4	-179.8	-175.4	0	0	0	0	109.6	I107 R108 V109 P144 R148	I107-V146 HydrophobicContact CD1-CG1 3.95Å; I107-V146 HydrophobicContact CG1-CG1 4.13Å; R108-V146 WeakPolarHBondContact O-CA 3.14Å; V109-V146 HydrophobicContact CG1-CG2 4.36Å; V109-V146 HydrophobicContact CG2-CG2 4.36Å; P144-V146 HydrophobicContact CB-CG2 4.45Å; V146-R148 HydrophobicContact CG1-CG 4.33Å
147	T	97.3	Very high	91.5	Very high	68 Å²	68	77 Å²	77	42%	0.417	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.9	172.2	-57.8	0	0	0	0	108.8	I107 R108 F149	I107-T147 WeakPolarHBondContact CA-O 3.21Å; R108-T147 PolarHBondContact N-O 2.88Å; R108-T147 PolarHBondContact O-N 2.78Å; T147-F149 HydrophobicContact CG2-CE1 3.87Å; T147-F149 HydrophobicContact CG2-CE2 3.94Å; T147-F149 HydrophobicContact CG2-CZ 3.51Å
148	R	96.9	Very high	89.3	Confident	135 Å²	135	84.5 Å²	84.5	51%	0.509	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.8	-179.9	-63.3	176.5	-178.6	-117.1	-1.1	109.4	F106 I107 V146	F106-R148 WeakPolarHBondContact O-CA 3.17Å; I107-R148 HydrophobicContact CD1-CG 4.42Å; I107-R148 HydrophobicContact CG1-CG 4.29Å; V146-R148 HydrophobicContact CG1-CG 4.33Å
149	F	96.7	Very high	87.1	Confident	86 Å²	86	90.4 Å²	90.4	38%	0.377	46%	0.458	S	S	.	.			trans	-118.6	145.4	177.9	-50.9	-85.2	0	0	0	109.7	E105 F106 R108 T147	E105-F149 HydrophobicContact CG-CD2 4.2Å; E105-F149 HydrophobicContact CG-CE2 4.25Å; E105-F149 WeakPolarHBondContact O-CB 3.31Å; E105-F149 VanDerWaalsContact OE1-CE2 3.24Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.4Å; F106-F149 PolarHBondContact O-N 3.2Å; R108-F149 HydrophobicContact CB-CE2 4.2Å; T147-F149 HydrophobicContact CG2-CE1 3.87Å; T147-F149 HydrophobicContact CG2-CE2 3.94Å; T147-F149 HydrophobicContact CG2-CZ 3.51Å
150	H	95.4	Very high	84.9	Confident	193 Å²	193	96.8 Å²	96.8	89%	0.894	49%	0.491	S	S	*	.			trans	-84.7	125.8	172.2	-71	-61.8	0	0	0	109.3
151	I	95.7	Very high	82.8	Confident	23 Å²	23	100.8 Å²	100.8	12%	0.118	51%	0.508	C	S	.	.			trans	-123.2	163.1	179.2	68.1	160.9	0	0	0	110.9	Y101 Q104 E105 F106 W153	Y101-I151 HydrophobicContact CD1-CD1 4.18Å; Q104-I151 HydrophobicContact CB-CB 3.82Å; Q104-I151 HydrophobicContact CB-CD1 4.32Å; Q104-I151 HydrophobicContact CB-CG2 3.6Å; E105-I151 VanDerWaalsContact O-CG2 3.27Å; E105-I151 WeakPolarHBondContact O-CG2 3.39Å; F106-I151 HydrophobicContact CB-CB 4.46Å; F106-I151 HydrophobicContact CB-CD1 3.78Å; F106-I151 HydrophobicContact CB-CG1 3.86Å; F106-I151 HydrophobicContact CB-CG2 3.75Å; F106-I151 HydrophobicContact CD1-CD1 4.05Å; F106-I151 HydrophobicContact CG-CD1 4.22Å; I151-W153 HydrophobicContact CD1-CD2 4.05Å; I151-W153 HydrophobicContact CD1-CE3 4.27Å; I151-W153 HydrophobicContact CD1-CH2 4.13Å; I151-W153 HydrophobicContact CD1-CZ2 3.89Å; I151-W153 HydrophobicContact CD1-CZ3 4.32Å; I151-W153 HydrophobicContact CG1-CD2 4.07Å; I151-W153 HydrophobicContact CG1-CG 4.33Å; I151-W153 HydrophobicContact CG1-CZ2 3.85Å; I151-W153 VanDerWaalsContact O-CD1 3.24Å
152	N	93.5	Very high	80.8	Confident	59 Å²	59	105 Å²	105	32%	0.316	52%	0.524	S	S	.	.			trans	-80.5	121	166.3	-175.2	20.9	0	0	0	110.3	Q104 E154 N156	Q104-N152 PolarHBondContact NE2-O 2.9Å; N152-E154 PolarHBondContact ND2-O 3.31Å; N152-E154 PolarHBondContact OD1-N 2.61Å; N152-E154 VanDerWaalsContact OD1-N 3.15Å; N152-N156 PolarHBondContact ND2-ND2 2.68Å; N152-N156 VanDerWaalsContact ND2-ND2 3.14Å; N152-N156 PolarHBondContact ND2-OD1 3.43Å
153	W	93	Very high	78.9	Confident	18 Å²	18	104 Å²	104	7%	0.068	52%	0.521	C	S	.	.			trans	-97.3	-13.6	-179.6	-63.8	86	0	0	0	113.7	A2 K3 V4 L34 Y101 F106 I151	A2-W153 HydrophobicContact CB-CZ2 3.76Å; K3-W153 HydrophobicContact CB-CD2 3.92Å; K3-W153 HydrophobicContact CB-CE3 3.57Å; K3-W153 HydrophobicContact CB-CH2 4.47Å; K3-W153 HydrophobicContact CB-CZ3 3.87Å; K3-W153 HydrophobicContact CD-CB 3.68Å; K3-W153 HydrophobicContact CD-CD2 4.18Å; K3-W153 HydrophobicContact CD-CE3 4Å; K3-W153 HydrophobicContact CD-CG 4.09Å; K3-W153 VanDerWaalsContact CE-CB 3.43Å; K3-W153 HydrophobicContact CG-CB 4.02Å; K3-W153 HydrophobicContact CG-CD2 3.8Å; K3-W153 HydrophobicContact CG-CE3 3.83Å; K3-W153 HydrophobicContact CG-CG 3.9Å; V4-W153 HydrophobicContact CB-CH2 3.87Å; V4-W153 HydrophobicContact CB-CZ3 4.21Å; V4-W153 HydrophobicContact CG2-CH2 4.02Å; V4-W153 HydrophobicContact CG2-CZ3 3.83Å; L34-W153 HydrophobicContact CD2-CE3 4.34Å; L34-W153 HydrophobicContact CD2-CZ3 4.47Å; Y101-W153 HydrophobicContact CD1-CD2 4.36Å; Y101-W153 AromaticContact CD1-CE3 3.53Å; Y101-W153 HydrophobicContact CD1-CE3 3.53Å; Y101-W153 AromaticContact CD1-CZ3 3.9Å; Y101-W153 HydrophobicContact CD1-CZ3 3.9Å; Y101-W153 AromaticContact CE1-CE3 3.89Å; Y101-W153 HydrophobicContact CE1-CE3 3.89Å; Y101-W153 HydrophobicContact CG-CE3 4.22Å; Y101-W153 HydrophobicContact CG-CZ3 4.12Å; F106-W153 HydrophobicContact CB-CZ2 4.2Å; F106-W153 HydrophobicContact CD1-CH2 4.02Å; F106-W153 AromaticContact CD2-CH2 3.86Å; F106-W153 HydrophobicContact CD2-CH2 3.86Å; F106-W153 HydrophobicContact CD2-CZ2 4.06Å; F106-W153 HydrophobicContact CE1-CH2 4.17Å; F106-W153 HydrophobicContact CE2-CH2 4.01Å; F106-W153 AromaticContact CG-CH2 3.86Å; F106-W153 HydrophobicContact CG-CH2 3.86Å; F106-W153 HydrophobicContact CG-CZ2 4.02Å; F106-W153 HydrophobicContact CZ-CH2 4.16Å; I151-W153 HydrophobicContact CD1-CD2 4.05Å; I151-W153 HydrophobicContact CD1-CE3 4.27Å; I151-W153 HydrophobicContact CD1-CH2 4.13Å; I151-W153 HydrophobicContact CD1-CZ2 3.89Å; I151-W153 HydrophobicContact CD1-CZ3 4.32Å; I151-W153 HydrophobicContact CG1-CD2 4.07Å; I151-W153 HydrophobicContact CG1-CG 4.33Å; I151-W153 HydrophobicContact CG1-CZ2 3.85Å; I151-W153 VanDerWaalsContact O-CD1 3.24Å
154	E	86.7	Confident	76.9	Confident	104 Å²	104	107.7 Å²	107.7	49%	0.486	54%	0.535	S	S	.	.	S	Bend	trans	-94.6	154	-176.4	-55.1	-49.7	146.3	0	0	111.9	K3 R102 N152 N156	K3-E154 WeakPolarHBondContact CE-OE1 3.11Å; K3-E154 IonicContact NZ-OE1 2.92Å; K3-E154 PolarHBondContact NZ-OE1 3.41Å; K3-E154 IonicContact NZ-OE2 3.69Å; K3-E154 PolarHBondContact NZ-OE2 3.01Å; K3-E154 VanDerWaalsContact NZ-OE2 3.07Å; R102-E154 PolarHBondContact NH1-O 2.85Å; N152-E154 PolarHBondContact ND2-O 3.31Å; N152-E154 PolarHBondContact OD1-N 2.61Å; N152-E154 VanDerWaalsContact OD1-N 3.15Å; E154-N156 PolarHBondContact O-N 2.82Å
155	D	75	Confident	74.6	Confident	66 Å²	66	109.6 Å²	109.6	35%	0.353	55%	0.55	S	S	.	.			trans	-75.7	111.8	166.1	-141.7	-45.9	0	0	0	110.8	R102 T157	R102-D155 IonicContact CZ-OD2 2.77Å; R102-D155 IonicContact NH1-OD1 2.62Å; R102-D155 IonicContact NH1-OD2 2.76Å; R102-D155 PolarHBondContact NH1-OD2 3Å; R102-D155 IonicContact NH2-OD2 2.79Å; R102-D155 PolarHBondContact NH2-OD2 3.1Å; D155-T157 PolarHBondContact O-N 3.2Å; D155-T157 WeakPolarHBondContact OD1-CB 3.48Å; D155-T157 PolarHBondContact OD1-N 3.16Å; D155-T157 VanDerWaalsContact OD1-N 3.11Å; D155-T157 PolarHBondContact OD1-OG1 2.93Å
156	N	65.8	Low	72	Confident	100 Å²	100	106.2 Å²	106.2	54%	0.535	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-72.7	-3.4	174.1	-76.8	-21.9	0	0	0	112.3	N152 E154 E158	N152-N156 PolarHBondContact ND2-ND2 2.68Å; N152-N156 VanDerWaalsContact ND2-ND2 3.14Å; N152-N156 PolarHBondContact ND2-OD1 3.43Å; E154-N156 PolarHBondContact O-N 2.82Å; N156-E158 VanDerWaalsContact C-N 3.29Å; N156-E158 PolarHBondContact O-N 3.44Å
157	T	58.7	Low	69.5	Low	98 Å²	98	109.8 Å²	109.8	60%	0.601	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-69.1	-26	-178.3	-46.6	0	0	0	0	112.4	D155 K159	D155-T157 PolarHBondContact O-N 3.2Å; D155-T157 WeakPolarHBondContact OD1-CB 3.48Å; D155-T157 PolarHBondContact OD1-N 3.16Å; D155-T157 VanDerWaalsContact OD1-N 3.11Å; D155-T157 PolarHBondContact OD1-OG1 2.93Å; T157-K159 VanDerWaalsContact C-N 3.35Å; T157-K159 PolarHBondContact O-N 3.26Å
158	E	52.1	Low	66.9	Low	160 Å²	160	112.6 Å²	112.6	75%	0.748	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-76.1	-15.7	-178.3	-65.2	-169	169.1	0	0	114.5	N156 L160	N156-E158 VanDerWaalsContact C-N 3.29Å; N156-E158 PolarHBondContact O-N 3.44Å; E158-L160 PolarHBondContact O-N 3.03Å
159	K	51.2	Low	64.6	Low	171 Å²	171	112.9 Å²	112.9	74%	0.743	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-84.6	-5	-176.4	-71.7	-172.7	-179.9	175.7	0	115.1	T157	T157-K159 VanDerWaalsContact C-N 3.35Å; T157-K159 PolarHBondContact O-N 3.26Å
160	L	53.8	Low	62.2	Low	138 Å²	138	116.8 Å²	116.8	72%	0.723	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-19.2	-178.8	-76.1	164.4	0	0	0	113.5	E158	E158-L160 PolarHBondContact O-N 3.03Å
161	E	52.7	Low	59.8	Low	157 Å²	157	117 Å²	117	73%	0.734	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-22	-176.3	-62.8	-169.9	163.6	0	0	113.8
162	D	53.7	Low	57.4	Low	132 Å²	132	121.3 Å²	121.3	71%	0.706	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-6.3	178.9	-78.3	-23	0	0	0	114.5
163	A	53.9	Low	55.1	Low	75 Å²	75	126.4 Å²	126.4	62%	0.62	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-17.2	179.7	0	0	0	0	0	114
164	E	50.9	Low	52.8	Low	186 Å²	186	133.7 Å²	133.7	87%	0.869	72%	0.722	S	S	*	*	S	Bend	trans	-97.2	-3.9	-176.4	-72	-165.1	150.1	0	0	114.9
165	S	50.1	Low	50.7	Low	95 Å²	95	134.1 Å²	134.1	66%	0.664	74%	0.736	S	S	*	*	S	Bend	trans	-106	11.1	-172.8	45.2	0	0	0	0	115.3
166	S	41.8	Very low	49.3	Very low	93 Å²	93	137.3 Å²	137.3	65%	0.65	76%	0.758	S	S	*	*			trans	-114	65.6	179.2	53.1	0	0	0	0	113.8
167	N	44	Very low	48.2	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	77%	0.772	S	S	*	*			trans	-149.7	93.2	160.9	-129.1	-14.3	0	0	0	112.8	N169	N167-N169 VanDerWaalsContact C-N 3.28Å; N167-N169 PolarHBondContact O-N 3.19Å
168	P	43.5	Very low	47.3	Very low	127 Å²	127	139.3 Å²	139.3	83%	0.825	78%	0.778	S	S	*	*			trans	-81.6	9.7	178.9	-9.7	26.9	0	0	0	115.1
169	N	48	Very low	47.2	Very low	142 Å²	142	139.7 Å²	139.7	76%	0.759	78%	0.784	S	S	*	*			trans	-110.8	26.9	-156.8	-124.1	10.9	0	0	0	117.5	N167	N167-N169 VanDerWaalsContact C-N 3.28Å; N167-N169 PolarHBondContact O-N 3.19Å
170	L	47.6	Very low	46.8	Very low	168 Å²	168	136.9 Å²	136.9	88%	0.88	78%	0.783	S	S	*	*			trans	-120.1	24.6	-179.6	-130.5	103.7	0	0	0	116.5
171	Q	44.3	Very low	46.3	Very low	197 Å²	197	135.7 Å²	135.7	92%	0.921	79%	0.787	S	S	*	*			trans	-110.2	12.9	-177.1	-72.6	-173.2	2.5	0	0	116.6
172	S	45.1	Very low	45.8	Very low	113 Å²	113	132 Å²	132	79%	0.79	78%	0.783	S	S	*	*	S	Bend	trans	-106.2	9.2	-174.7	72.7	0	0	0	0	117.9
173	L	46.2	Very low	45.4	Very low	166 Å²	166	130.7 Å²	130.7	87%	0.869	78%	0.784	S	S	*	*			trans	-110.3	16.6	-168.5	-97.8	153.9	0	0	0	117.1
174	L	42.9	Very low	44.8	Very low	172 Å²	172	137 Å²	137	90%	0.901	80%	0.798	S	S	*	*			trans	-117.1	73.7	178.2	-69.6	168.9	0	0	0	111.6
175	S	43.3	Very low	44	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	79%	0.788	S	S	*	*			trans	-173.4	100.5	161.2	-76.2	0	0	0	0	109.9
176	T	46.4	Very low	43.5	Very low	133 Å²	133	139.7 Å²	139.7	82%	0.816	81%	0.806	S	S	*	*			trans	171.1	111.9	139	29.6	0	0	0	0	111.2
177	D	41.3	Very low	43.3	Very low	153 Å²	153	140.2 Å²	140.2	82%	0.818	81%	0.809	S	S	*	*			trans	59.1	120.9	134.3	-61.4	-28.9	0	0	0	123.8
178	A	40.2	Very low	43.3	Very low	87 Å²	87	139.8 Å²	139.8	72%	0.719	81%	0.812	S	S	*	*				83.1	98.5	127	0	0	0	0	0	121.1
179	L	50.5	Low	43.3	Very low	168 Å²	168	138.9 Å²	138.9	88%	0.88	81%	0.808	S	S	*	*				64.4	154.9	117.2	-81.9	154.4	0	0	0	120.4
180	P	42.9	Very low	42.8	Very low	113 Å²	113	141.1 Å²	141.1	73%	0.734	81%	0.814	S	S	*	*				-127.3	-178.3	-119.8	41.4	-24.6	0	0	0	114.3
181	S	42.9	Very low	42.7	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	82%	0.816	S	S	*	*			trans	141.1	130.1	137.6	-179	0	0	0	0	115.7
182	A	41.7	Very low	42.5	Very low	80 Å²	80	136.9 Å²	136.9	66%	0.661	81%	0.807	S	S	*	*			trans	76.5	109	144.8	0	0	0	0	0	123.3
183	S	45.5	Very low	42.5	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	81%	0.813	S	S	*	*				86.6	131.9	118.5	76.3	0	0	0	0	122.3
184	K	42.8	Very low	42.2	Very low	209 Å²	209	139.2 Å²	139.2	91%	0.909	81%	0.811	S	S	*	*			trans	61.5	122.8	155.3	-65	171.7	177.5	177.9	0	115.6
185	G	33.7	Very low	42.4	Very low	65 Å²	65	137.5 Å²	137.5	67%	0.67	81%	0.807	S	S	*	*			cis	118.4	108.3	31.4	0	0	0	0	0	107.7
186	W	39	Very low	42.3	Very low	272 Å²	272	140.2 Å²	140.2	100%	1.03	81%	0.809	S	S	*	*			trans	-163.6	142	158.4	-92.2	-21.6	0	0	0	111.9
187	S	37.9	Very low	42.3	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	81%	0.812	S	S	*	*			trans	-112.4	148	-178.3	53.1	0	0	0	0	110.1
188	T	43	Very low	42.2	Very low	140 Å²	140	143.3 Å²	143.3	86%	0.859	81%	0.814	S	S	*	*			trans	-171.3	134.3	145.4	35.3	0	0	0	0	113.9
189	S	43.5	Very low	43	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	82%	0.818	S	S	*	*			trans	55	116.3	153.5	70.1	0	0	0	0	120.1
190	E	39.1	Very low	42.9	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	81%	0.813	S	S	*	*				61.6	110.9	63.3	-70.7	-166.4	141.8	0	0	115.7
191	N	44.6	Very low	43.8	Very low	172 Å²	172	148.2 Å²	148.2	92%	0.92	82%	0.822	S	S	*	*			trans	-158.2	127.4	137.7	-119.7	-6	0	0	0	111.5
192	S	40.8	Very low	44.1	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	82%	0.819	S	S	*	*			trans	-98.6	155.4	-176	52	0	0	0	0	112.4
193	L	45.4	Very low	44.6	Very low	176 Å²	176	151.1 Å²	151.1	92%	0.921	83%	0.826	S	S	*	*			trans	-158.5	121.8	144	-98	173.4	0	0	0	111.1
194	N	38.4	Very low	45.3	Very low	152 Å²	152	158.5 Å²	158.5	81%	0.813	85%	0.852	S	S	*	*			trans	-106.2	145	174.9	-112.7	-6.8	0	0	0	108.6
195	V	47.8	Very low	45.4	Very low	137 Å²	137	156 Å²	156	83%	0.83	85%	0.849	S	S	*	*			trans	-145.7	117	153.2	-179.8	0	0	0	0	109.7
196	M	40.1	Very low	46	Very low	168 Å²	168	160.7 Å²	160.7	83%	0.828	86%	0.859	S	S	*	*			trans	-97	151.4	159.7	-79.5	-163.5	-125.2	0	0	108.9
197	L	47.3	Very low	46.4	Very low	167 Å²	167	154.6 Å²	154.6	87%	0.874	85%	0.849	S	S	*	*			trans	-154.5	115.6	147.8	-132.8	110.2	0	0	0	110.8
198	E	39.5	Very low	46.9	Very low	184 Å²	184	157.6 Å²	157.6	86%	0.86	86%	0.857	S	S	*	*			trans	-84.3	147.5	160.9	-73.9	174.9	138	0	0	109.5
199	S	57	Low	47.1	Very low	114 Å²	114	158.7 Å²	158.7	80%	0.797	86%	0.857	S	S	*	*			trans	-149.6	117.7	153.5	63.1	0	0	0	0	110.8
200	H	48.5	Very low	47.4	Very low	166 Å²	166	162.1 Å²	162.1	77%	0.769	86%	0.864	S	S	*	*			trans	-72.6	144.2	168.2	-138.6	-83.1	0	0	0	110.4	D202	H200-D202 IonicContact ND1-OD2 2.77Å
201	M	61.3	Low	48	Very low	191 Å²	191	160.2 Å²	160.2	94%	0.941	86%	0.863	S	S	*	*			trans	-159.7	111.3	156.3	-123.6	154.7	157.2	0	0	111.4
202	D	49.9	Very low	48.2	Very low	136 Å²	136	159.3 Å²	159.3	73%	0.727	86%	0.858	S	S	*	*			trans	-67.3	150	163.5	-64.4	-69.7	0	0	0	110.9	H200	H200-D202 IonicContact ND1-OD2 2.77Å
203	C	51.2	Low	48.8	Very low	119 Å²	119	163.9 Å²	163.9	80%	0.804	87%	0.869	S	S	*	*				166.9	134.5	117.9	-157.8	0	0	0	0	111.7
204	M	59.7	Low	49.2	Very low	257 Å²	257	162.8 Å²	162.8	100%	1.266	86%	0.864	S	S	*	*			trans	88	0	175.7	-61.8	-166.1	-178.7	0	0	117.9

Retrieved 204 of 204 residues in 1320.9 ms (Link to these results)

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