A0A096MTI6_PAPAN Loading...

WD repeat domain 64

AlphaFold DB , UniProt , Accession A0A096MTI6, Species PAPAN (Papio anubis, Olive baboon), Gene WDR64, Length 1,081 aa.

						>A0A096MTI6_PAPAN|A0A096MTI6|WDR64
MDISKEKHFNMALQISNFKKALNGFEKLVEQTATQKRDERAGLFIHKEDAIDYDKFYASVQKLFGPDVKDQDVKRFYRKLCNNTDAFADWCEIFGYFSSEEDPITSQLDEENLVFFVSRKRRILISGSRRRDVIKSIVKVPHLDLLITATQKGLITVFNNQDTSWITGCDYLLQLKRIVATTERTIIVWDYKAQGSSQENYFVIKPMDHCLLCVCVVPLPDHLCRDDILLGDDGGFVNRFTVNSDDFGIKQAKSKRKLQNQVLDSKNFKSVKRKLHNDWVMKIRYISALNCFGSCSLDSNHSLVLESLKRLEDNLPVREFSMPRGANTFCYCVKANVIVTGGDDKVIRLWHPNISTKPVGKLVGHMFSITEIVTNEKDQHIVSLSSAKVFRVWDIQTLSLLQVFHDSQGGPGDMQIYSMIYDANHGMLITGSSVMDMYPLTRMIQDTKQVPHTHEREINVMLYNKYLHQVLTICSESIIRVWELETGLQVYQILDPHGFNIEVTSAAVDESGFLFATGAYNGTVRIWDFGSGQEMKVLPEGKDWKEEEHCLQRLVFLKAQEKHQHLVLALERNGTIKMIQGKEDDIYLMVIWELPDVVPFLQDGKHAVHLRVSTRDRNMAIPFPDVELIVERNASQPSNNPAMDSLRVNCIDLLQVEGYNLIAAGTLNGVIILWNFVTSTVKKVCRLEDCFPVNPDLHPKHFKINDILFLFRTPECARRSSQDSICSSSQCESSKGPQSSKGSKQSIHDSEVKGEQTDVTVGEQQPVDKKHPGSANLPEAQPPILVTAHEDGHLRLWTLEGRLLKDMLPFTKHSAISLTSLYTDSCTRILLAGNVEGHVILCNISSFLDPPHDEKKFKQLLSWRAHSLEIIQVIYVEEKQVVITASIDGSVRLWHALNGHYCGYFGQRRLFELSQTSDFILPCDVTEYPIEIKEESKFTEKQKYEYPLIFDREKWRKMSSMSLLFKRTPPKAFEVEQDFKFFKSLSSPKIRRYPLEGFVTENREAGIVFGSLPIYRISSPTSLRFLPLIGVEAQKDSSDGITGKKKGGHVQHEKVSRRRSLKKNLVPQINLASSFFPTIPK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	47	Very low	207 Å²	207	126.5 Å²	126.5	100%	1.02	62%	0.615	S	S	*	*				0	42.3	0	-166.7	-171.3	-98.5	0	0	110.5
2	D	46.1	Very low	48	Very low	79 Å²	79	120.8 Å²	120.8	42%	0.422	60%	0.604	S	S	.	*			trans	-136.4	-4.8	-152	-57.8	-80	0	0	0	116.1	S4 K5 E6	D2-S4 PolarHBondContact O-N 3.47Å; D2-K5 WeakPolarHBondContact O-CA 3.43Å; D2-K5 WeakPolarHBondContact O-CB 3.45Å; D2-K5 PolarHBondContact O-N 3.04Å; D2-K5 WeakPolarHBondContact OD1-CD 3.43Å; D2-K5 WeakPolarHBondContact OD1-CE 3.41Å; D2-K5 IonicContact OD1-NZ 2.97Å; D2-K5 PolarHBondContact OD1-NZ 3.31Å; D2-E6 PolarHBondContact O-N 3.45Å
3	I	41.8	Very low	49.4	Very low	129 Å²	129	119.1 Å²	119.1	66%	0.662	60%	0.597	S	S	*	*	H	α-helix	trans	-60.2	-30.6	175.3	-59.3	173.5	0	0	0	111.5	K7	I3-K7 PolarHBondContact O-N 3.49Å
4	S	41	Very low	50.6	Low	70 Å²	70	119.2 Å²	119.2	49%	0.49	60%	0.595	S	S	.	*	H	α-helix	trans	-69.7	-37.4	171.6	50.2	0	0	0	0	112.6	D2 K7 H8	D2-S4 PolarHBondContact O-N 3.47Å; S4-K7 PolarHBondContact O-N 3.23Å; S4-H8 PolarHBondContact O-CD2 3.3Å; S4-H8 PolarHBondContact O-N 2.76Å
5	K	44.6	Very low	52	Low	125 Å²	125	117.1 Å²	117.1	54%	0.543	59%	0.586	S	S	.	*	H	α-helix	trans	-68.4	-43.7	177.4	-65.7	-176.6	-168.1	154.2	0	111.5	D2 K7 H8 F9	D2-K5 WeakPolarHBondContact O-CA 3.43Å; D2-K5 WeakPolarHBondContact O-CB 3.45Å; D2-K5 PolarHBondContact O-N 3.04Å; D2-K5 WeakPolarHBondContact OD1-CD 3.43Å; D2-K5 WeakPolarHBondContact OD1-CE 3.41Å; D2-K5 IonicContact OD1-NZ 2.97Å; D2-K5 PolarHBondContact OD1-NZ 3.31Å; K5-K7 VanDerWaalsContact C-N 3.33Å; K5-K7 PolarHBondContact O-N 3Å; K5-H8 PolarHBondContact O-N 3.01Å; K5-F9 WeakPolarHBondContact O-CB 3.29Å; K5-F9 PolarHBondContact O-N 3.34Å
6	E	45.1	Very low	53.4	Low	139 Å²	139	113.3 Å²	113.3	65%	0.65	57%	0.573	S	S	*	*	H	α-helix	trans	-60.4	-43	175.6	-69.3	-177.5	137	0	0	111.6	D2 F9 N10	D2-E6 PolarHBondContact O-N 3.45Å; E6-F9 PolarHBondContact O-N 2.91Å; E6-N10 WeakPolarHBondContact O-CB 3.44Å; E6-N10 PolarHBondContact O-N 2.97Å
7	K	48	Very low	54.9	Low	155 Å²	155	111.5 Å²	111.5	67%	0.674	57%	0.566	S	S	*	*	H	α-helix	trans	-60.8	-45	173	-78.9	-170.3	172.4	-169.9	0	112.6	I3 S4 K5 N10 M11	I3-K7 PolarHBondContact O-N 3.49Å; S4-K7 PolarHBondContact O-N 3.23Å; K5-K7 VanDerWaalsContact C-N 3.33Å; K5-K7 PolarHBondContact O-N 3Å; K7-N10 PolarHBondContact O-N 3.2Å; K7-M11 VanDerWaalsContact O-CB 3.28Å; K7-M11 WeakPolarHBondContact O-CB 3.43Å; K7-M11 PolarHBondContact O-N 2.83Å
8	H	48.7	Very low	56.3	Low	125 Å²	125	109.7 Å²	109.7	58%	0.579	55%	0.554	S	S	*	*	H	α-helix	trans	-65.3	-37.4	176.4	-75	-55.2	0	0	0	112.9	S4 K5 A12	S4-H8 PolarHBondContact O-CD2 3.3Å; S4-H8 PolarHBondContact O-N 2.76Å; K5-H8 PolarHBondContact O-N 3.01Å; H8-A12 VanDerWaalsContact O-CB 3.29Å; H8-A12 WeakPolarHBondContact O-CB 3.44Å; H8-A12 PolarHBondContact O-N 3.21Å
9	F	49.7	Very low	57.7	Low	170 Å²	170	110.8 Å²	110.8	75%	0.746	55%	0.554	S	S	*	*	H	α-helix	trans	-67.4	-43.1	177.9	-135.2	-88.2	0	0	0	111.6	K5 E6 A12 L13	K5-F9 WeakPolarHBondContact O-CB 3.29Å; K5-F9 PolarHBondContact O-N 3.34Å; E6-F9 PolarHBondContact O-N 2.91Å; F9-A12 PolarHBondContact O-N 3.07Å; F9-L13 WeakPolarHBondContact O-CB 3.5Å; F9-L13 PolarHBondContact O-N 2.99Å
10	N	55.6	Low	59.1	Low	93 Å²	93	112.2 Å²	112.2	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-65.5	-44.6	176.2	-163.5	-9.8	0	0	0	111.2	E6 K7 A12 L13 Q14	E6-N10 WeakPolarHBondContact O-CB 3.44Å; E6-N10 PolarHBondContact O-N 2.97Å; K7-N10 PolarHBondContact O-N 3.2Å; N10-A12 PolarHBondContact O-N 3.49Å; N10-L13 WeakPolarHBondContact O-CB 3.38Å; N10-L13 PolarHBondContact O-N 3.43Å; N10-L13 VanDerWaalsContact O-N 3.17Å; N10-Q14 WeakPolarHBondContact O-CG 3.48Å; N10-Q14 PolarHBondContact O-N 2.94Å
11	M	54.6	Low	60.3	Low	99 Å²	99	107.4 Å²	107.4	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-38.4	176.4	-163.6	177.8	81.9	0	0	112.4	K7 Q14 I15	K7-M11 VanDerWaalsContact O-CB 3.28Å; K7-M11 WeakPolarHBondContact O-CB 3.43Å; K7-M11 PolarHBondContact O-N 2.83Å; M11-Q14 PolarHBondContact O-N 3.44Å; M11-I15 HydrophobicContact CG-CD1 4.22Å; M11-I15 WeakPolarHBondContact O-CD1 3.48Å; M11-I15 VanDerWaalsContact O-CG1 3.25Å; M11-I15 WeakPolarHBondContact O-CG1 3.43Å; M11-I15 PolarHBondContact O-N 3.33Å
12	A	59.3	Low	62.4	Low	58 Å²	58	98.9 Å²	98.9	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-65.8	-38	173.6	0	0	0	0	0	112.4	H8 F9 N10 I15 S16	H8-A12 VanDerWaalsContact O-CB 3.29Å; H8-A12 WeakPolarHBondContact O-CB 3.44Å; H8-A12 PolarHBondContact O-N 3.21Å; F9-A12 PolarHBondContact O-N 3.07Å; N10-A12 PolarHBondContact O-N 3.49Å; A12-I15 PolarHBondContact O-N 2.93Å; A12-S16 WeakPolarHBondContact O-CB 3.42Å; A12-S16 PolarHBondContact O-N 3.17Å
13	L	65.9	Low	64.3	Low	99 Å²	99	99.6 Å²	99.6	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-43.8	174.3	-163.8	78	0	0	0	111.4	F9 N10 S16 N17	F9-L13 WeakPolarHBondContact O-CB 3.5Å; F9-L13 PolarHBondContact O-N 2.99Å; N10-L13 WeakPolarHBondContact O-CB 3.38Å; N10-L13 PolarHBondContact O-N 3.43Å; N10-L13 VanDerWaalsContact O-N 3.17Å; L13-S16 PolarHBondContact O-N 2.87Å; L13-N17 WeakPolarHBondContact O-CB 3.46Å; L13-N17 VanDerWaalsContact O-CG 3.32Å; L13-N17 PolarHBondContact O-N 3.25Å
14	Q	66.8	Low	66.4	Low	121 Å²	121	94.6 Å²	94.6	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-60.3	-46.5	174.6	-73.8	177.6	-32.7	0	0	111.7	N10 M11 S16 N17 F18	N10-Q14 WeakPolarHBondContact O-CG 3.48Å; N10-Q14 PolarHBondContact O-N 2.94Å; M11-Q14 PolarHBondContact O-N 3.44Å; Q14-S16 VanDerWaalsContact C-N 3.32Å; Q14-S16 PolarHBondContact O-N 3.42Å; Q14-N17 PolarHBondContact O-N 2.91Å; Q14-F18 WeakPolarHBondContact O-CB 3.37Å; Q14-F18 PolarHBondContact O-N 2.9Å
15	I	71.8	Confident	68.7	Low	88 Å²	88	91.4 Å²	91.4	45%	0.451	46%	0.455	S	S	.	.	H	α-helix	trans	-62.1	-38.8	175.7	-68.2	163	0	0	0	111.4	M11 A12 K19	M11-I15 HydrophobicContact CG-CD1 4.22Å; M11-I15 WeakPolarHBondContact O-CD1 3.48Å; M11-I15 VanDerWaalsContact O-CG1 3.25Å; M11-I15 WeakPolarHBondContact O-CG1 3.43Å; M11-I15 PolarHBondContact O-N 3.33Å; A12-I15 PolarHBondContact O-N 2.93Å; I15-K19 WeakPolarHBondContact O-CG 3.28Å; I15-K19 PolarHBondContact O-N 3.26Å
16	S	73.4	Confident	70.8	Confident	56 Å²	56	90.3 Å²	90.3	39%	0.392	45%	0.451	S	S	.	.	H	α-helix	trans	-66.2	-41	176	-172.6	0	0	0	0	112.4	A12 L13 Q14 K20	A12-S16 WeakPolarHBondContact O-CB 3.42Å; A12-S16 PolarHBondContact O-N 3.17Å; L13-S16 PolarHBondContact O-N 2.87Å; Q14-S16 VanDerWaalsContact C-N 3.32Å; Q14-S16 PolarHBondContact O-N 3.42Å; S16-K20 WeakPolarHBondContact O-CG 3.46Å; S16-K20 PolarHBondContact O-N 3.11Å
17	N	78.9	Confident	72.7	Confident	83 Å²	83	90 Å²	90	44%	0.444	45%	0.448	S	S	.	.	H	α-helix	trans	-69.7	-41.3	177.1	-70.3	-13.8	0	0	0	111.6	L13 Q14 K19 K20 A21	L13-N17 WeakPolarHBondContact O-CB 3.46Å; L13-N17 VanDerWaalsContact O-CG 3.32Å; L13-N17 PolarHBondContact O-N 3.25Å; Q14-N17 PolarHBondContact O-N 2.91Å; N17-K19 PolarHBondContact O-N 3.42Å; N17-K20 WeakPolarHBondContact O-CB 3.44Å; N17-K20 PolarHBondContact O-N 3.17Å; N17-K20 VanDerWaalsContact O-N 3.11Å; N17-A21 PolarHBondContact O-N 2.95Å
18	F	81.4	Confident	74.6	Confident	79 Å²	79	83.4 Å²	83.4	35%	0.346	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-41.9	175.7	-173.1	-95.6	0	0	0	112	Q14 K20 A21 L22 F64 W90	Q14-F18 WeakPolarHBondContact O-CB 3.37Å; Q14-F18 PolarHBondContact O-N 2.9Å; F18-K20 VanDerWaalsContact C-N 3.31Å; F18-K20 PolarHBondContact O-N 3.01Å; F18-A21 WeakPolarHBondContact O-CB 3.49Å; F18-A21 PolarHBondContact O-N 3.5Å; F18-A21 VanDerWaalsContact O-N 3.17Å; F18-L22 PolarHBondContact O-N 2.94Å; F18-F64 HydrophobicContact CE2-CD1 4.03Å; F18-F64 AromaticContact CE2-CE1 3.9Å; F18-F64 HydrophobicContact CE2-CE1 3.9Å; F18-F64 HydrophobicContact CZ-CE1 4.25Å; F18-W90 HydrophobicContact CE1-CH2 4.11Å; F18-W90 HydrophobicContact CE1-CZ2 4.26Å; F18-W90 HydrophobicContact CE1-CZ3 4.31Å; F18-W90 HydrophobicContact CE2-CZ3 4.5Å; F18-W90 HydrophobicContact CZ-CD2 4.41Å; F18-W90 AromaticContact CZ-CE3 3.89Å; F18-W90 HydrophobicContact CZ-CE3 3.89Å; F18-W90 AromaticContact CZ-CH2 3.78Å; F18-W90 HydrophobicContact CZ-CH2 3.78Å; F18-W90 HydrophobicContact CZ-CZ2 4.3Å; F18-W90 AromaticContact CZ-CZ3 3.56Å; F18-W90 HydrophobicContact CZ-CZ3 3.56Å
19	K	82.3	Confident	76.5	Confident	131 Å²	131	78.2 Å²	78.2	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-62.2	-36.2	172.7	-73.8	-171.4	175.6	-165.9	0	112.8	I15 N17 L22 N23	I15-K19 WeakPolarHBondContact O-CG 3.28Å; I15-K19 PolarHBondContact O-N 3.26Å; N17-K19 PolarHBondContact O-N 3.42Å; K19-L22 PolarHBondContact O-N 3.03Å; K19-N23 WeakPolarHBondContact O-CB 3.37Å; K19-N23 PolarHBondContact O-N 2.83Å; K19-N23 PolarHBondContact O-OD1 3.41Å
20	K	84.8	Confident	78.3	Confident	138 Å²	138	76.3 Å²	76.3	60%	0.6	39%	0.39	S	S	*	.	H	α-helix	trans	-66.7	-38.1	173.2	-69.8	169.5	-175.5	170.2	0	112.3	S16 N17 F18 G24	S16-K20 WeakPolarHBondContact O-CG 3.46Å; S16-K20 PolarHBondContact O-N 3.11Å; N17-K20 WeakPolarHBondContact O-CB 3.44Å; N17-K20 PolarHBondContact O-N 3.17Å; N17-K20 VanDerWaalsContact O-N 3.11Å; F18-K20 VanDerWaalsContact C-N 3.31Å; F18-K20 PolarHBondContact O-N 3.01Å; K20-G24 PolarHBondContact O-N 3.47Å; K20-G24 VanDerWaalsContact O-N 3.08Å
21	A	84.8	Confident	79.7	Confident	11 Å²	11	77.3 Å²	77.3	9%	0.091	39%	0.392	C	S	.	.	H	α-helix	trans	-63.5	-46	174.5	0	0	0	0	0	111.4	N17 F18 G24 F25 L63 F64	N17-A21 PolarHBondContact O-N 2.95Å; F18-A21 WeakPolarHBondContact O-CB 3.49Å; F18-A21 PolarHBondContact O-N 3.5Å; F18-A21 VanDerWaalsContact O-N 3.17Å; A21-G24 CarbonylContact O-C 3.57Å; A21-G24 WeakPolarHBondContact O-CA 3.25Å; A21-G24 PolarHBondContact O-N 2.9Å; A21-G24 VanDerWaalsContact O-N 3.09Å; A21-F25 PolarHBondContact O-N 2.85Å; A21-L63 HydrophobicContact CB-CB 4.32Å; A21-L63 VanDerWaalsContact CB-O 3.23Å; A21-L63 WeakPolarHBondContact CB-O 3.5Å; A21-F64 HydrophobicContact CB-CD1 4.18Å; A21-F64 HydrophobicContact CB-CE1 3.97Å
22	L	86.1	Confident	81.1	Confident	29 Å²	29	72.6 Å²	72.6	15%	0.152	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-52.2	176.3	179.7	58.5	0	0	0	112.2	F18 K19 G24 F25 E26 W90	F18-L22 PolarHBondContact O-N 2.94Å; K19-L22 PolarHBondContact O-N 3.03Å; L22-G24 PolarHBondContact O-N 3.17Å; L22-G24 VanDerWaalsContact O-N 3.13Å; L22-F25 WeakPolarHBondContact O-CA 3.44Å; L22-F25 WeakPolarHBondContact O-CB 3.42Å; L22-F25 PolarHBondContact O-N 3.09Å; L22-E26 HydrophobicContact CD1-CG 4.33Å; L22-E26 WeakPolarHBondContact O-CG 3.22Å; L22-E26 PolarHBondContact O-N 3.47Å; L22-W90 HydrophobicContact CD1-CB 3.68Å; L22-W90 VanDerWaalsContact CD1-CD1 3.42Å; L22-W90 HydrophobicContact CD1-CD2 4.35Å; L22-W90 HydrophobicContact CD1-CG 3.51Å
23	N	85.9	Confident	82.3	Confident	93 Å²	93	70.4 Å²	70.4	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-19.7	175.4	-73.6	59.9	0	0	0	113.6	K19 K27	K19-N23 WeakPolarHBondContact O-CB 3.37Å; K19-N23 PolarHBondContact O-N 2.83Å; K19-N23 PolarHBondContact O-OD1 3.41Å; N23-K27 WeakPolarHBondContact O-CG 3.31Å
24	G	86.5	Confident	83.1	Confident	24 Å²	24	68.8 Å²	68.8	25%	0.247	35%	0.345	C	S	.	.	H	α-helix	trans	-81.3	-38.4	170.8	0	0	0	0	0	112.5	K20 A21 L22 L28	K20-G24 PolarHBondContact O-N 3.47Å; K20-G24 VanDerWaalsContact O-N 3.08Å; A21-G24 CarbonylContact O-C 3.57Å; A21-G24 WeakPolarHBondContact O-CA 3.25Å; A21-G24 PolarHBondContact O-N 2.9Å; A21-G24 VanDerWaalsContact O-N 3.09Å; L22-G24 PolarHBondContact O-N 3.17Å; L22-G24 VanDerWaalsContact O-N 3.13Å; G24-L28 PolarHBondContact O-N 2.94Å
25	F	88.6	Confident	83.8	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-46.8	175.8	-179.2	-108.4	0	0	0	111.7	A21 L22 K27 L28 V29 F56 V60 L63 F64 F76 W90 I93	A21-F25 PolarHBondContact O-N 2.85Å; L22-F25 WeakPolarHBondContact O-CA 3.44Å; L22-F25 WeakPolarHBondContact O-CB 3.42Å; L22-F25 PolarHBondContact O-N 3.09Å; F25-K27 PolarHBondContact O-N 2.99Å; F25-L28 WeakPolarHBondContact O-CB 3.45Å; F25-L28 PolarHBondContact O-N 3.06Å; F25-V29 HydrophobicContact CD1-CG2 4.08Å; F25-V29 HydrophobicContact CD2-CG2 4.28Å; F25-V29 HydrophobicContact CE1-CG2 3.75Å; F25-V29 HydrophobicContact CE2-CG2 3.98Å; F25-V29 HydrophobicContact CG-CG2 4.34Å; F25-V29 HydrophobicContact CZ-CG2 3.71Å; F25-V29 WeakPolarHBondContact O-CG2 3.45Å; F25-V29 PolarHBondContact O-N 3.08Å; F25-F56 HydrophobicContact CE2-CZ 4.31Å; F25-V60 HydrophobicContact CD2-CG2 4.09Å; F25-V60 HydrophobicContact CE2-CG2 3.88Å; F25-L63 HydrophobicContact CB-CD1 4.11Å; F25-F64 HydrophobicContact CB-CE2 3.73Å; F25-F64 HydrophobicContact CB-CZ 3.79Å; F25-F64 AromaticContact CD2-CE2 3.8Å; F25-F64 HydrophobicContact CD2-CE2 3.8Å; F25-F64 AromaticContact CG-CE2 3.76Å; F25-F64 HydrophobicContact CG-CE2 3.76Å; F25-F64 HydrophobicContact CG-CZ 4.07Å; F25-F76 HydrophobicContact CE1-CE1 4.44Å; F25-F76 HydrophobicContact CE1-CE2 4.5Å; F25-F76 AromaticContact CE1-CZ 3.99Å; F25-F76 HydrophobicContact CE1-CZ 3.99Å; F25-F76 HydrophobicContact CE2-CE1 4.33Å; F25-F76 HydrophobicContact CZ-CD1 4.23Å; F25-F76 AromaticContact CZ-CE1 3.64Å; F25-F76 HydrophobicContact CZ-CE1 3.64Å; F25-F76 HydrophobicContact CZ-CE2 4.2Å; F25-F76 AromaticContact CZ-CZ 3.59Å; F25-F76 HydrophobicContact CZ-CZ 3.59Å; F25-W90 HydrophobicContact CD1-CB 3.98Å; F25-W90 HydrophobicContact CE1-CB 3.96Å; F25-I93 HydrophobicContact CD2-CD1 4.46Å; F25-I93 HydrophobicContact CE2-CD1 3.98Å; F25-I93 HydrophobicContact CE2-CG2 4.47Å; F25-I93 HydrophobicContact CZ-CD1 4.08Å; F25-I93 HydrophobicContact CZ-CG1 4.38Å; F25-I93 HydrophobicContact CZ-CG2 4.09Å
26	E	87.7	Confident	84.1	Confident	101 Å²	101	60.1 Å²	60.1	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-52.5	-42.7	175.6	-71.2	170.3	168.6	0	0	111.6	L22 V29 E30	L22-E26 HydrophobicContact CD1-CG 4.33Å; L22-E26 WeakPolarHBondContact O-CG 3.22Å; L22-E26 PolarHBondContact O-N 3.47Å; E26-V29 PolarHBondContact O-N 3.13Å; E26-E30 WeakPolarHBondContact O-CB 3.5Å; E26-E30 PolarHBondContact O-N 2.85Å
27	K	86.6	Confident	84.3	Confident	134 Å²	134	63.1 Å²	63.1	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-69.2	-38.6	175.7	-72.1	-178	176.3	-168.5	0	113.6	N23 F25 V29 E30 Q31	N23-K27 WeakPolarHBondContact O-CG 3.31Å; F25-K27 PolarHBondContact O-N 2.99Å; K27-V29 VanDerWaalsContact C-N 3.31Å; K27-E30 PolarHBondContact O-N 3.22Å; K27-Q31 VanDerWaalsContact O-CB 3.31Å; K27-Q31 WeakPolarHBondContact O-CB 3.32Å; K27-Q31 VanDerWaalsContact O-CG 3.22Å; K27-Q31 WeakPolarHBondContact O-CG 3.49Å; K27-Q31 PolarHBondContact O-N 3.43Å
28	L	87.9	Confident	84	Confident	16 Å²	16	62.3 Å²	62.3	8%	0.084	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-39.9	175.1	-178.6	68.6	0	0	0	110.8	G24 F25 T32 I51 F56 V60 L63	G24-L28 PolarHBondContact O-N 2.94Å; F25-L28 WeakPolarHBondContact O-CB 3.45Å; F25-L28 PolarHBondContact O-N 3.06Å; L28-T32 VanDerWaalsContact O-CB 3.27Å; L28-T32 WeakPolarHBondContact O-CB 3.46Å; L28-T32 PolarHBondContact O-N 2.88Å; L28-T32 PolarHBondContact O-OG1 3.34Å; L28-I51 HydrophobicContact CD1-CD1 4.16Å; L28-F56 HydrophobicContact CD1-CD2 4.27Å; L28-F56 HydrophobicContact CD2-CD2 3.9Å; L28-F56 HydrophobicContact CD2-CE2 3.89Å; L28-F56 HydrophobicContact CG-CD2 3.83Å; L28-F56 HydrophobicContact CG-CE2 3.77Å; L28-V60 HydrophobicContact CD2-CG2 3.93Å; L28-L63 HydrophobicContact CD2-CD1 4.47Å
29	V	87.8	Confident	83.4	Confident	15 Å²	15	60.4 Å²	60.4	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-47.7	174.7	174.6	0	0	0	0	110.8	F25 E26 K27 T32 A33 F76 L80 A88	F25-V29 HydrophobicContact CD1-CG2 4.08Å; F25-V29 HydrophobicContact CD2-CG2 4.28Å; F25-V29 HydrophobicContact CE1-CG2 3.75Å; F25-V29 HydrophobicContact CE2-CG2 3.98Å; F25-V29 HydrophobicContact CG-CG2 4.34Å; F25-V29 HydrophobicContact CZ-CG2 3.71Å; F25-V29 WeakPolarHBondContact O-CG2 3.45Å; F25-V29 PolarHBondContact O-N 3.08Å; E26-V29 PolarHBondContact O-N 3.13Å; K27-V29 VanDerWaalsContact C-N 3.31Å; V29-T32 PolarHBondContact O-N 3.01Å; V29-A33 VanDerWaalsContact O-CB 3.26Å; V29-A33 WeakPolarHBondContact O-CB 3.41Å; V29-A33 PolarHBondContact O-N 2.88Å; V29-F76 HydrophobicContact CG1-CZ 4.33Å; V29-F76 HydrophobicContact CG2-CE1 3.76Å; V29-F76 HydrophobicContact CG2-CZ 3.77Å; V29-L80 HydrophobicContact CG1-CD1 3.88Å; V29-L80 HydrophobicContact CG1-CD2 4.06Å; V29-A88 HydrophobicContact CG1-CB 3.87Å
30	E	86.9	Confident	82.7	Confident	130 Å²	130	58.7 Å²	58.7	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-59.4	-48.7	176.5	-175.8	177.9	-147.9	0	0	111.6	E26 K27 T32 A33 T34	E26-E30 WeakPolarHBondContact O-CB 3.5Å; E26-E30 PolarHBondContact O-N 2.85Å; K27-E30 PolarHBondContact O-N 3.22Å; E30-T32 PolarHBondContact O-N 3.44Å; E30-A33 PolarHBondContact O-N 2.89Å; E30-T34 WeakPolarHBondContact O-CG2 3.1Å; E30-T34 PolarHBondContact O-N 3.31Å; E30-T34 PolarHBondContact O-OG1 3.47Å
31	Q	85.5	Confident	81.6	Confident	114 Å²	114	53.4 Å²	53.4	53%	0.533	27%	0.265	S	S	.	.	H	α-helix	trans	-58.5	-48.5	175.7	-75.2	174.7	-21.4	0	0	111.7	K27 A33 T34 Q35 I51	K27-Q31 VanDerWaalsContact O-CB 3.31Å; K27-Q31 WeakPolarHBondContact O-CB 3.32Å; K27-Q31 VanDerWaalsContact O-CG 3.22Å; K27-Q31 WeakPolarHBondContact O-CG 3.49Å; K27-Q31 PolarHBondContact O-N 3.43Å; Q31-A33 PolarHBondContact O-N 2.84Å; Q31-T34 WeakPolarHBondContact CA-OG1 3.33Å; Q31-T34 PolarHBondContact O-N 2.78Å; Q31-T34 PolarHBondContact O-OG1 2.93Å; Q31-Q35 WeakPolarHBondContact O-CB 3.26Å; Q31-Q35 PolarHBondContact O-N 3.47Å; Q31-I51 HydrophobicContact CB-CD1 4.07Å
32	T	84.5	Confident	80.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-41.1	178.8	-53.3	0	0	0	0	111.1	L28 V29 E30 Q35 K36 F56 Y77 L80	L28-T32 VanDerWaalsContact O-CB 3.27Å; L28-T32 WeakPolarHBondContact O-CB 3.46Å; L28-T32 PolarHBondContact O-N 2.88Å; L28-T32 PolarHBondContact O-OG1 3.34Å; V29-T32 PolarHBondContact O-N 3.01Å; E30-T32 PolarHBondContact O-N 3.44Å; T32-Q35 PolarHBondContact O-N 3.3Å; T32-K36 HydrophobicContact CG2-CG 4.32Å; T32-K36 WeakPolarHBondContact O-CB 3.46Å; T32-K36 WeakPolarHBondContact O-CG 3.34Å; T32-K36 PolarHBondContact O-N 2.79Å; T32-F56 HydrophobicContact CG2-CD2 4.22Å; T32-F56 HydrophobicContact CG2-CE2 4.37Å; T32-F56 WeakPolarHBondContact OG1-CD2 3.39Å; T32-Y77 HydrophobicContact CG2-CD2 4.21Å; T32-Y77 HydrophobicContact CG2-CE2 3.8Å; T32-L80 HydrophobicContact CG2-CD2 3.82Å
33	A	84.6	Confident	78.9	Confident	13 Å²	13	58.8 Å²	58.8	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-43.2	176.2	0	0	0	0	0	112.1	V29 E30 Q31 K36 R37 L80	V29-A33 VanDerWaalsContact O-CB 3.26Å; V29-A33 WeakPolarHBondContact O-CB 3.41Å; V29-A33 PolarHBondContact O-N 2.88Å; E30-A33 PolarHBondContact O-N 2.89Å; Q31-A33 PolarHBondContact O-N 2.84Å; A33-K36 PolarHBondContact O-N 2.8Å; A33-R37 WeakPolarHBondContact O-CB 3.42Å; A33-R37 PolarHBondContact O-N 2.91Å; A33-L80 HydrophobicContact CB-CD1 4.11Å
34	T	83.4	Confident	77.1	Confident	64 Å²	64	58.2 Å²	58.2	39%	0.393	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-45.4	173.5	53.2	0	0	0	0	111.5	E30 Q31 K36 R37 D38	E30-T34 WeakPolarHBondContact O-CG2 3.1Å; E30-T34 PolarHBondContact O-N 3.31Å; E30-T34 PolarHBondContact O-OG1 3.47Å; Q31-T34 WeakPolarHBondContact CA-OG1 3.33Å; Q31-T34 PolarHBondContact O-N 2.78Å; Q31-T34 PolarHBondContact O-OG1 2.93Å; T34-K36 PolarHBondContact O-N 3.2Å; T34-R37 PolarHBondContact O-N 3.33Å; T34-D38 WeakPolarHBondContact O-CB 3.34Å; T34-D38 PolarHBondContact O-N 2.88Å
35	Q	81.4	Confident	75.3	Confident	18 Å²	18	64.3 Å²	64.3	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-42.4	176.8	-168.3	-167.8	-54.6	0	0	111.9	Q31 T32 D38 E39 F44 I51	Q31-Q35 WeakPolarHBondContact O-CB 3.26Å; Q31-Q35 PolarHBondContact O-N 3.47Å; T32-Q35 PolarHBondContact O-N 3.3Å; Q35-D38 PolarHBondContact O-N 3.41Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.23Å; Q35-E39 PolarHBondContact NE2-OE1 2.84Å; Q35-E39 WeakPolarHBondContact O-CB 3.22Å; Q35-E39 VanDerWaalsContact O-CG 3.3Å; Q35-E39 WeakPolarHBondContact O-CG 3.18Å; Q35-E39 PolarHBondContact O-N 3.23Å; Q35-F44 HydrophobicContact CG-CD2 4.17Å; Q35-F44 HydrophobicContact CG-CE2 3.86Å; Q35-F44 HydrophobicContact CG-CZ 4.4Å; Q35-I51 PolarHBondContact NE2-O 2.74Å; Q35-I51 VanDerWaalsContact OE1-CB 3.31Å
36	K	77.8	Confident	73.7	Confident	9 Å²	9	72.1 Å²	72.1	4%	0.039	36%	0.358	C	S	.	.	H	α-helix	trans	-72.1	-29.5	177.6	-64	-41.4	-178	-170.4	0	113.2	T32 A33 T34 E39 R40 Y77 T84	T32-K36 HydrophobicContact CG2-CG 4.32Å; T32-K36 WeakPolarHBondContact O-CB 3.46Å; T32-K36 WeakPolarHBondContact O-CG 3.34Å; T32-K36 PolarHBondContact O-N 2.79Å; A33-K36 PolarHBondContact O-N 2.8Å; T34-K36 PolarHBondContact O-N 3.2Å; K36-E39 WeakPolarHBondContact CD-OE2 3.29Å; K36-E39 IonicContact NZ-OE1 2.7Å; K36-E39 PolarHBondContact NZ-OE1 2.87Å; K36-E39 IonicContact NZ-OE2 3.6Å; K36-E39 PolarHBondContact NZ-OE2 3.46Å; K36-R40 WeakPolarHBondContact O-CB 3.23Å; K36-R40 VanDerWaalsContact O-CG 3.31Å; K36-R40 WeakPolarHBondContact O-CG 3.34Å; K36-R40 PolarHBondContact O-N 3.09Å; K36-Y77 VanDerWaalsContact CE-OH 3.27Å; K36-Y77 WeakPolarHBondContact CE-OH 3.5Å; K36-Y77 PolarHBondContact NZ-OH 3.19Å; K36-T84 HydrophobicContact CB-CG2 3.97Å
37	R	76.6	Confident	72	Confident	120 Å²	120	74.5 Å²	74.5	45%	0.453	37%	0.367	S	S	.	.	H	α-helix	trans	-68.5	-41.3	169.8	-167.4	-178.2	-72.1	149	-4.7	111	A33 T34 R40 A41 T84 D85	A33-R37 WeakPolarHBondContact O-CB 3.42Å; A33-R37 PolarHBondContact O-N 2.91Å; T34-R37 PolarHBondContact O-N 3.33Å; R37-R40 PolarHBondContact O-N 3.1Å; R37-A41 VanDerWaalsContact O-CB 3.23Å; R37-A41 WeakPolarHBondContact O-CB 3.31Å; R37-A41 PolarHBondContact O-N 3.44Å; R37-T84 HydrophobicContact CB-CG2 4.21Å; R37-D85 IonicContact CZ-OD1 3.93Å; R37-D85 IonicContact NE-OD1 3.24Å; R37-D85 IonicContact NH2-OD1 3.44Å; R37-D85 PolarHBondContact NH2-OD1 2.81Å; R37-D85 IonicContact NH2-OD2 2.8Å
38	D	73.1	Confident	70.5	Confident	65 Å²	65	75.8 Å²	75.8	35%	0.348	38%	0.375	S	S	.	.	H	α-helix	trans	-71.3	-36.4	177.2	-72.7	-17.1	0	0	0	112.8	T34 Q35 A41 G42 L43	T34-D38 WeakPolarHBondContact O-CB 3.34Å; T34-D38 PolarHBondContact O-N 2.88Å; Q35-D38 PolarHBondContact O-N 3.41Å; D38-A41 CarbonylContact O-C 3.5Å; D38-A41 PolarHBondContact O-N 2.98Å; D38-G42 PolarHBondContact O-N 2.88Å; D38-G42 VanDerWaalsContact O-N 3.1Å; D38-L43 HydrophobicContact CB-CB 3.97Å; D38-L43 PolarHBondContact O-N 2.8Å; D38-L43 WeakPolarHBondContact OD1-CD1 3.31Å
39	E	69.8	Low	69	Low	39 Å²	39	81.4 Å²	81.4	18%	0.182	41%	0.405	C	S	.	.	H	α-helix	trans	-60.8	-51.1	169.7	-77.9	171.2	-149.3	0	0	110.5	Q35 K36 A41 G42 F44 F513	Q35-E39 WeakPolarHBondContact CG-OE1 3.23Å; Q35-E39 PolarHBondContact NE2-OE1 2.84Å; Q35-E39 WeakPolarHBondContact O-CB 3.22Å; Q35-E39 VanDerWaalsContact O-CG 3.3Å; Q35-E39 WeakPolarHBondContact O-CG 3.18Å; Q35-E39 PolarHBondContact O-N 3.23Å; K36-E39 WeakPolarHBondContact CD-OE2 3.29Å; K36-E39 IonicContact NZ-OE1 2.7Å; K36-E39 PolarHBondContact NZ-OE1 2.87Å; K36-E39 IonicContact NZ-OE2 3.6Å; K36-E39 PolarHBondContact NZ-OE2 3.46Å; E39-A41 VanDerWaalsContact C-N 3.29Å; E39-A41 PolarHBondContact O-N 2.8Å; E39-G42 PolarHBondContact O-N 2.71Å; E39-F44 HydrophobicContact CG-CB 4.1Å; E39-F44 HydrophobicContact CG-CG 4.24Å; E39-F513 HydrophobicContact CB-CE2 4.44Å
40	R	66.5	Low	68.1	Low	95 Å²	95	81.7 Å²	81.7	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-34	176.4	-78.1	175.9	155.8	-164.3	-10.6	113.2	K36 R37 G42 C81 N82 F513 D528	K36-R40 WeakPolarHBondContact O-CB 3.23Å; K36-R40 VanDerWaalsContact O-CG 3.31Å; K36-R40 WeakPolarHBondContact O-CG 3.34Å; K36-R40 PolarHBondContact O-N 3.09Å; R37-R40 PolarHBondContact O-N 3.1Å; R40-G42 VanDerWaalsContact C-N 3.3Å; R40-G42 PolarHBondContact O-N 2.73Å; R40-C81 PolarHBondContact NE-O 2.91Å; R40-C81 PolarHBondContact NH1-O 3.48Å; R40-C81 PolarHBondContact NH2-O 2.83Å; R40-N82 VanDerWaalsContact CZ-O 3.3Å; R40-N82 PolarHBondContact NH1-O 3.38Å; R40-N82 PolarHBondContact NH2-O 3.49Å; R40-F513 HydrophobicContact CG-CD2 4.11Å; R40-F513 HydrophobicContact CG-CE2 4.1Å; R40-D528 IonicContact NH2-OD1 2.71Å
41	A	62.4	Low	67.5	Low	28 Å²	28	76.6 Å²	76.6	23%	0.231	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	9.2	175.3	0	0	0	0	0	113.8	R37 D38 E39 L43 K562	R37-A41 VanDerWaalsContact O-CB 3.23Å; R37-A41 WeakPolarHBondContact O-CB 3.31Å; R37-A41 PolarHBondContact O-N 3.44Å; D38-A41 CarbonylContact O-C 3.5Å; D38-A41 PolarHBondContact O-N 2.98Å; E39-A41 VanDerWaalsContact C-N 3.29Å; E39-A41 PolarHBondContact O-N 2.8Å; A41-L43 HydrophobicContact CB-CD1 4.08Å; A41-L43 HydrophobicContact CB-CG 4.31Å; A41-L43 PolarHBondContact O-N 3.11Å; A41-L43 VanDerWaalsContact O-N 3.09Å; A41-K562 VanDerWaalsContact O-CD 3.29Å; A41-K562 WeakPolarHBondContact O-CD 3.36Å; A41-K562 WeakPolarHBondContact O-CE 3.47Å; A41-K562 PolarHBondContact O-NZ 3.41Å
42	G	55.9	Low	67	Low	48 Å²	48	74.2 Å²	74.2	50%	0.495	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	30	180	0	0	0	0	0	114.1	D38 E39 R40 K562	D38-G42 PolarHBondContact O-N 2.88Å; D38-G42 VanDerWaalsContact O-N 3.1Å; E39-G42 PolarHBondContact O-N 2.71Å; R40-G42 VanDerWaalsContact C-N 3.3Å; R40-G42 PolarHBondContact O-N 2.73Å; G42-K562 VanDerWaalsContact C-NZ 3.3Å; G42-K562 WeakPolarHBondContact O-CE 3.45Å; G42-K562 PolarHBondContact O-NZ 2.75Å
43	L	57.8	Low	66.9	Low	105 Å²	105	74.6 Å²	74.6	55%	0.55	38%	0.378	S	S	.	.			trans	-88.2	-19.6	177.5	-77.6	166.1	0	0	0	112.5	D38 A41 K562	D38-L43 HydrophobicContact CB-CB 3.97Å; D38-L43 PolarHBondContact O-N 2.8Å; D38-L43 WeakPolarHBondContact OD1-CD1 3.31Å; A41-L43 HydrophobicContact CB-CD1 4.08Å; A41-L43 HydrophobicContact CB-CG 4.31Å; A41-L43 PolarHBondContact O-N 3.11Å; A41-L43 VanDerWaalsContact O-N 3.09Å; L43-K562 VanDerWaalsContact CG-NZ 3.31Å
44	F	48.5	Very low	66.6	Low	81 Å²	81	77.8 Å²	77.8	36%	0.355	39%	0.393	S	S	.	.			trans	-81.9	128.1	-169.1	-160.3	-99.7	0	0	0	113.4	Q35 E39 A50	Q35-F44 HydrophobicContact CG-CD2 4.17Å; Q35-F44 HydrophobicContact CG-CE2 3.86Å; Q35-F44 HydrophobicContact CG-CZ 4.4Å; E39-F44 HydrophobicContact CG-CB 4.1Å; E39-F44 HydrophobicContact CG-CG 4.24Å; F44-A50 HydrophobicContact CE1-CB 3.9Å; F44-A50 HydrophobicContact CZ-CB 3.69Å
45	I	48.3	Very low	66.6	Low	151 Å²	151	78.6 Å²	78.6	77%	0.774	39%	0.391	S	S	*	.			trans	-117.3	132.6	171.9	-61.8	178	0	0	0	108.1	K47	I45-K47 PolarHBondContact O-N 2.84Å
46	H	55.7	Low	66.8	Low	168 Å²	168	77.8 Å²	77.8	78%	0.778	39%	0.387	S	S	*	.			trans	-49.2	129.5	-170.9	-89.1	-70.7	0	0	0	114.9
47	K	50.7	Low	67.2	Low	152 Å²	152	79.3 Å²	79.3	66%	0.661	39%	0.393	S	S	*	.			trans	-140.9	161.1	155.2	-73.4	-164.8	175.7	-179	0	111	I45 D49 A50	I45-K47 PolarHBondContact O-N 2.84Å; K47-D49 PolarHBondContact O-N 2.97Å; K47-A50 PolarHBondContact O-N 3.14Å
48	E	55.8	Low	67.6	Low	161 Å²	161	75.3 Å²	75.3	75%	0.752	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.2	-179.9	-59.8	178.3	133.2	0	0	112.3	A50 K55	E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 3.2Å; E48-K55 PolarHBondContact O-NZ 3.37Å
49	D	56.1	Low	68.3	Low	134 Å²	134	73.9 Å²	73.9	72%	0.717	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.3	177.5	-51.1	-64.8	0	0	0	115.2	K47 I51	K47-D49 PolarHBondContact O-N 2.97Å; D49-I51 PolarHBondContact O-N 3.09Å
50	A	67.9	Low	69.2	Low	20 Å²	20	72 Å²	72	17%	0.165	37%	0.372	C	S	.	.			trans	-57.5	131.1	-177.9	0	0	0	0	0	111.6	F44 K47 E48 D52 K55	F44-A50 HydrophobicContact CE1-CB 3.9Å; F44-A50 HydrophobicContact CZ-CB 3.69Å; K47-A50 PolarHBondContact O-N 3.14Å; E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 3.2Å; A50-D52 PolarHBondContact O-N 2.72Å; A50-K55 WeakPolarHBondContact O-CD 3.39Å; A50-K55 PolarHBondContact O-NZ 3.37Å
51	I	75.7	Confident	70.1	Confident	23 Å²	23	71 Å²	71	12%	0.118	37%	0.372	C	S	.	.			trans	-78.1	104.9	175.4	-53.9	173.4	0	0	0	108.3	L28 Q31 Q35 D49 F56	L28-I51 HydrophobicContact CD1-CD1 4.16Å; Q31-I51 HydrophobicContact CB-CD1 4.07Å; Q35-I51 PolarHBondContact NE2-O 2.74Å; Q35-I51 VanDerWaalsContact OE1-CB 3.31Å; D49-I51 PolarHBondContact O-N 3.09Å; I51-F56 HydrophobicContact CG2-CB 3.85Å; I51-F56 HydrophobicContact CG2-CD2 4.21Å
52	D	74.8	Confident	71.3	Confident	64 Å²	64	77.9 Å²	77.9	34%	0.342	40%	0.396	S	S	.	.			trans	-91	174.9	164.5	51.1	57.8	0	0	0	110.4	A50 D54 K55 F56	A50-D52 PolarHBondContact O-N 2.72Å; D52-D54 PolarHBondContact O-N 3.22Å; D52-D54 PolarHBondContact OD1-N 3.36Å; D52-K55 PolarHBondContact O-N 3.12Å; D52-K55 WeakPolarHBondContact OD1-CB 3.43Å; D52-K55 VanDerWaalsContact OD1-CG 3.25Å; D52-K55 WeakPolarHBondContact OD1-CG 3.27Å; D52-K55 PolarHBondContact OD1-N 2.95Å; D52-K55 VanDerWaalsContact OD2-CD 3.24Å; D52-K55 WeakPolarHBondContact OD2-CD 3.34Å; D52-K55 WeakPolarHBondContact OD2-CE 3.49Å; D52-K55 IonicContact OD2-NZ 2.8Å; D52-K55 PolarHBondContact OD2-NZ 3.25Å; D52-F56 WeakPolarHBondContact O-CB 3.49Å; D52-F56 PolarHBondContact O-N 2.67Å
53	Y	81.4	Confident	72.8	Confident	9 Å²	9	78.2 Å²	78.2	4%	0.035	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-44.1	-178.9	175.4	-100.2	0	0	0	112.3	K55 F56 Y57 D70 V73 K74 Y77	Y53-K55 PolarHBondContact O-N 2.75Å; Y53-F56 WeakPolarHBondContact O-CB 3.3Å; Y53-F56 PolarHBondContact O-N 2.83Å; Y53-F56 VanDerWaalsContact O-N 3.16Å; Y53-Y57 HydrophobicContact CE1-CG 4.35Å; Y53-Y57 WeakPolarHBondContact O-CB 3.2Å; Y53-Y57 PolarHBondContact O-N 2.74Å; Y53-D70 WeakPolarHBondContact CE1-OD1 3.4Å; Y53-D70 PolarHBondContact OH-O 3.21Å; Y53-D70 PolarHBondContact OH-OD1 3Å; Y53-V73 HydrophobicContact CE2-CG1 4.22Å; Y53-K74 HydrophobicContact CD2-CG 4.32Å; Y53-K74 HydrophobicContact CE1-CD 4.16Å; Y53-K74 HydrophobicContact CE1-CG 4.01Å; Y53-K74 HydrophobicContact CE2-CB 4.24Å; Y53-K74 HydrophobicContact CE2-CG 3.76Å; Y53-K74 PolarHBondContact OH-N 3.42Å; Y53-Y77 AromaticContact CD2-CD1 3.67Å; Y53-Y77 HydrophobicContact CD2-CD1 3.67Å; Y53-Y77 HydrophobicContact CD2-CD2 4.41Å; Y53-Y77 HydrophobicContact CD2-CE1 4.21Å; Y53-Y77 AromaticContact CD2-CG 3.78Å; Y53-Y77 HydrophobicContact CD2-CG 3.78Å; Y53-Y77 HydrophobicContact CE2-CG 4.48Å; Y53-Y77 HydrophobicContact CG-CD1 4.39Å
54	D	78.4	Confident	74	Confident	79 Å²	79	74.8 Å²	74.8	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-38.1	-176.3	-74.7	-16.3	0	0	0	111	D52 A58 K879	D52-D54 PolarHBondContact O-N 3.22Å; D52-D54 PolarHBondContact OD1-N 3.36Å; D54-A58 WeakPolarHBondContact O-CB 3.13Å; D54-A58 PolarHBondContact O-N 2.79Å; D54-K879 IonicContact OD2-NZ 3.57Å
55	K	84	Confident	75.5	Confident	82 Å²	82	72 Å²	72	36%	0.357	36%	0.361	S	S	.	.	H	α-helix	trans	-68.1	-39.1	170.6	-72.2	169.2	-170.3	146.8	0	113.1	E48 A50 D52 Y53 S59	E48-K55 PolarHBondContact O-NZ 3.37Å; A50-K55 WeakPolarHBondContact O-CD 3.39Å; A50-K55 PolarHBondContact O-NZ 3.37Å; D52-K55 PolarHBondContact O-N 3.12Å; D52-K55 WeakPolarHBondContact OD1-CB 3.43Å; D52-K55 VanDerWaalsContact OD1-CG 3.25Å; D52-K55 WeakPolarHBondContact OD1-CG 3.27Å; D52-K55 PolarHBondContact OD1-N 2.95Å; D52-K55 VanDerWaalsContact OD2-CD 3.24Å; D52-K55 WeakPolarHBondContact OD2-CD 3.34Å; D52-K55 WeakPolarHBondContact OD2-CE 3.49Å; D52-K55 IonicContact OD2-NZ 2.8Å; D52-K55 PolarHBondContact OD2-NZ 3.25Å; Y53-K55 PolarHBondContact O-N 2.75Å; K55-S59 VanDerWaalsContact O-CB 3.31Å; K55-S59 WeakPolarHBondContact O-CB 3.31Å; K55-S59 PolarHBondContact O-N 2.91Å; K55-S59 PolarHBondContact O-OG 3.5Å
56	F	86.6	Confident	76.8	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.3	-53.4	175.6	-176	-96.5	0	0	0	110	F25 L28 T32 I51 D52 Y53 A58 S59 V60 V73 F76 Y77	F25-F56 HydrophobicContact CE2-CZ 4.31Å; L28-F56 HydrophobicContact CD1-CD2 4.27Å; L28-F56 HydrophobicContact CD2-CD2 3.9Å; L28-F56 HydrophobicContact CD2-CE2 3.89Å; L28-F56 HydrophobicContact CG-CD2 3.83Å; L28-F56 HydrophobicContact CG-CE2 3.77Å; T32-F56 HydrophobicContact CG2-CD2 4.22Å; T32-F56 HydrophobicContact CG2-CE2 4.37Å; T32-F56 WeakPolarHBondContact OG1-CD2 3.39Å; I51-F56 HydrophobicContact CG2-CB 3.85Å; I51-F56 HydrophobicContact CG2-CD2 4.21Å; D52-F56 WeakPolarHBondContact O-CB 3.49Å; D52-F56 PolarHBondContact O-N 2.67Å; Y53-F56 WeakPolarHBondContact O-CB 3.3Å; Y53-F56 PolarHBondContact O-N 2.83Å; Y53-F56 VanDerWaalsContact O-N 3.16Å; F56-A58 PolarHBondContact O-N 3.18Å; F56-S59 CarbonylContact O-C 3.59Å; F56-S59 WeakPolarHBondContact O-CA 3.47Å; F56-S59 WeakPolarHBondContact O-CB 3.33Å; F56-S59 PolarHBondContact O-N 3.3Å; F56-V60 HydrophobicContact CD1-CG2 4.12Å; F56-V60 HydrophobicContact CE1-CG2 3.85Å; F56-V60 HydrophobicContact CZ-CG2 4.21Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 3.04Å; F56-V73 HydrophobicContact CD1-CG1 3.74Å; F56-V73 HydrophobicContact CE1-CG1 3.63Å; F56-F76 HydrophobicContact CE1-CD1 4.2Å; F56-F76 HydrophobicContact CZ-CD1 4.03Å; F56-F76 AromaticContact CZ-CE1 3.95Å; F56-F76 HydrophobicContact CZ-CE1 3.95Å; F56-Y77 HydrophobicContact CB-CD2 4.02Å; F56-Y77 HydrophobicContact CB-CE2 4.06Å; F56-Y77 AromaticContact CD1-CD2 3.68Å; F56-Y77 HydrophobicContact CD1-CD2 3.68Å; F56-Y77 HydrophobicContact CD1-CG 4.27Å; F56-Y77 HydrophobicContact CD2-CD2 4.06Å; F56-Y77 HydrophobicContact CD2-CE2 4.42Å; F56-Y77 HydrophobicContact CE1-CD2 4.12Å; F56-Y77 HydrophobicContact CE2-CD2 4.47Å; F56-Y77 AromaticContact CG-CD2 3.65Å; F56-Y77 HydrophobicContact CG-CD2 3.65Å; F56-Y77 HydrophobicContact CG-CE2 4.11Å
57	Y	85.6	Confident	77.5	Confident	42 Å²	42	68.8 Å²	68.8	17%	0.165	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-45.9	178.1	-179.1	-124	0	0	0	112.6	Y53 S59 V60 Q61 D70 V73	Y53-Y57 HydrophobicContact CE1-CG 4.35Å; Y53-Y57 WeakPolarHBondContact O-CB 3.2Å; Y53-Y57 PolarHBondContact O-N 2.74Å; Y57-S59 PolarHBondContact O-N 3.38Å; Y57-S59 VanDerWaalsContact O-N 3.16Å; Y57-V60 PolarHBondContact O-N 3.41Å; Y57-V60 VanDerWaalsContact O-N 3.16Å; Y57-Q61 HydrophobicContact CD2-CG 4.33Å; Y57-Q61 HydrophobicContact CE1-CG 4.33Å; Y57-Q61 HydrophobicContact CE2-CG 3.96Å; Y57-Q61 PolarHBondContact O-N 3.36Å; Y57-Q61 PolarHBondContact OH-NE2 3.11Å; Y57-D70 HydrophobicContact CE1-CB 4.28Å; Y57-D70 HydrophobicContact CE2-CB 4.24Å; Y57-D70 PolarHBondContact OH-N 3.33Å; Y57-V73 HydrophobicContact CD2-CB 3.87Å; Y57-V73 HydrophobicContact CD2-CG1 4.01Å; Y57-V73 HydrophobicContact CD2-CG2 3.93Å; Y57-V73 HydrophobicContact CE2-CB 4.36Å; Y57-V73 HydrophobicContact CE2-CG2 4.1Å
58	A	84.6	Confident	78.8	Confident	35 Å²	35	61.7 Å²	61.7	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-20.2	174.6	0	0	0	0	0	113.4	D54 F56 K62	D54-A58 WeakPolarHBondContact O-CB 3.13Å; D54-A58 PolarHBondContact O-N 2.79Å; F56-A58 PolarHBondContact O-N 3.18Å; A58-K62 WeakPolarHBondContact O-CD 3.5Å; A58-K62 WeakPolarHBondContact O-CE 3.46Å; A58-K62 WeakPolarHBondContact O-CG 3.28Å; A58-K62 PolarHBondContact O-N 3Å
59	S	87.8	Confident	79.7	Confident	36 Å²	36	60.2 Å²	60.2	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-85.7	-40	173.3	-58.8	0	0	0	0	111.7	K55 F56 Y57 K62 L63	K55-S59 VanDerWaalsContact O-CB 3.31Å; K55-S59 WeakPolarHBondContact O-CB 3.31Å; K55-S59 PolarHBondContact O-N 2.91Å; K55-S59 PolarHBondContact O-OG 3.5Å; F56-S59 CarbonylContact O-C 3.59Å; F56-S59 WeakPolarHBondContact O-CA 3.47Å; F56-S59 WeakPolarHBondContact O-CB 3.33Å; F56-S59 PolarHBondContact O-N 3.3Å; Y57-S59 PolarHBondContact O-N 3.38Å; Y57-S59 VanDerWaalsContact O-N 3.16Å; S59-K62 PolarHBondContact O-N 3.03Å; S59-L63 WeakPolarHBondContact O-CG 3.45Å; S59-L63 PolarHBondContact O-N 3.31Å; S59-L63 VanDerWaalsContact O-N 3.14Å
60	V	88.4	Confident	80.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-45.1	171.4	176.1	0	0	0	0	111.1	F25 L28 F56 Y57 K62 L63 F64 V68 V73 I93	F25-V60 HydrophobicContact CD2-CG2 4.09Å; F25-V60 HydrophobicContact CE2-CG2 3.88Å; L28-V60 HydrophobicContact CD2-CG2 3.93Å; F56-V60 HydrophobicContact CD1-CG2 4.12Å; F56-V60 HydrophobicContact CE1-CG2 3.85Å; F56-V60 HydrophobicContact CZ-CG2 4.21Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 3.04Å; Y57-V60 PolarHBondContact O-N 3.41Å; Y57-V60 VanDerWaalsContact O-N 3.16Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 3.47Å; V60-L63 PolarHBondContact O-N 2.76Å; V60-L63 VanDerWaalsContact O-N 3.09Å; V60-F64 HydrophobicContact CG1-CD2 4.03Å; V60-F64 PolarHBondContact O-N 3.21Å; V60-V68 HydrophobicContact CG1-CG1 4.12Å; V60-V73 HydrophobicContact CB-CG1 4.38Å; V60-V73 HydrophobicContact CG1-CG1 4.42Å; V60-V73 HydrophobicContact CG1-CG2 3.92Å; V60-V73 HydrophobicContact CG2-CG1 4.1Å; V60-I93 HydrophobicContact CG1-CD1 3.79Å
61	Q	85.9	Confident	80.7	Confident	74 Å²	74	60 Å²	60	35%	0.346	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-35.7	174	-75.8	-165.3	-23.1	0	0	113.1	Y57 L63 G65	Y57-Q61 HydrophobicContact CD2-CG 4.33Å; Y57-Q61 HydrophobicContact CE1-CG 4.33Å; Y57-Q61 HydrophobicContact CE2-CG 3.96Å; Y57-Q61 PolarHBondContact O-N 3.36Å; Y57-Q61 PolarHBondContact OH-NE2 3.11Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-G65 WeakPolarHBondContact O-CA 3.21Å; Q61-G65 PolarHBondContact O-N 3.28Å
62	K	86.9	Confident	80.8	Confident	171 Å²	171	60.4 Å²	60.4	74%	0.743	31%	0.313	S	S	*	.	H	α-helix	trans	-69.7	-27.5	175.1	-74.8	164.6	-166.4	162.8	0	113	A58 S59 V60	A58-K62 WeakPolarHBondContact O-CD 3.5Å; A58-K62 WeakPolarHBondContact O-CE 3.46Å; A58-K62 WeakPolarHBondContact O-CG 3.28Å; A58-K62 PolarHBondContact O-N 3Å; S59-K62 PolarHBondContact O-N 3.03Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 3.47Å
63	L	87.4	Confident	81.2	Confident	55 Å²	55	57.4 Å²	57.4	29%	0.288	30%	0.297	S	S	.	.	H	α-helix	trans	-83.9	-43.3	-179.4	-69	166.1	0	0	0	112	A21 F25 L28 S59 V60 Q61	A21-L63 HydrophobicContact CB-CB 4.32Å; A21-L63 VanDerWaalsContact CB-O 3.23Å; A21-L63 WeakPolarHBondContact CB-O 3.5Å; F25-L63 HydrophobicContact CB-CD1 4.11Å; L28-L63 HydrophobicContact CD2-CD1 4.47Å; S59-L63 WeakPolarHBondContact O-CG 3.45Å; S59-L63 PolarHBondContact O-N 3.31Å; S59-L63 VanDerWaalsContact O-N 3.14Å; V60-L63 PolarHBondContact O-N 2.76Å; V60-L63 VanDerWaalsContact O-N 3.09Å; Q61-L63 VanDerWaalsContact C-N 3.31Å
64	F	84.4	Confident	80.8	Confident	33 Å²	33	57.6 Å²	57.6	15%	0.145	30%	0.298	C	S	.	.	H	α-helix	trans	-114.8	-11.9	-170.5	-62.5	-70.4	0	0	0	115.2	F18 A21 F25 V60 V68 I93 F94	F18-F64 HydrophobicContact CE2-CD1 4.03Å; F18-F64 AromaticContact CE2-CE1 3.9Å; F18-F64 HydrophobicContact CE2-CE1 3.9Å; F18-F64 HydrophobicContact CZ-CE1 4.25Å; A21-F64 HydrophobicContact CB-CD1 4.18Å; A21-F64 HydrophobicContact CB-CE1 3.97Å; F25-F64 HydrophobicContact CB-CE2 3.73Å; F25-F64 HydrophobicContact CB-CZ 3.79Å; F25-F64 AromaticContact CD2-CE2 3.8Å; F25-F64 HydrophobicContact CD2-CE2 3.8Å; F25-F64 AromaticContact CG-CE2 3.76Å; F25-F64 HydrophobicContact CG-CE2 3.76Å; F25-F64 HydrophobicContact CG-CZ 4.07Å; V60-F64 HydrophobicContact CG1-CD2 4.03Å; V60-F64 PolarHBondContact O-N 3.21Å; F64-V68 HydrophobicContact CB-CG2 3.6Å; F64-I93 HydrophobicContact CD2-CD1 3.73Å; F64-I93 HydrophobicContact CE2-CD1 3.63Å; F64-I93 HydrophobicContact CZ-CD1 4.41Å; F64-F94 HydrophobicContact CB-CZ 3.97Å; F64-F94 HydrophobicContact CD1-CE2 4.2Å; F64-F94 AromaticContact CD1-CZ 3.77Å; F64-F94 HydrophobicContact CD1-CZ 3.77Å; F64-F94 HydrophobicContact CE1-CE2 4.36Å; F64-F94 HydrophobicContact CE1-CZ 4.38Å; F64-F94 HydrophobicContact CG-CE2 4.42Å; F64-F94 AromaticContact CG-CZ 3.84Å; F64-F94 HydrophobicContact CG-CZ 3.84Å
65	G	78.9	Confident	80.6	Confident	22 Å²	22	62 Å²	62	23%	0.227	31%	0.308	C	S	.	.			trans	95.1	-175.6	-179.1	0	0	0	0	0	114.4	Q61 D67	Q61-G65 WeakPolarHBondContact O-CA 3.21Å; Q61-G65 PolarHBondContact O-N 3.28Å; G65-D67 VanDerWaalsContact C-N 3.26Å; G65-D67 PolarHBondContact O-N 3.06Å
66	P	74.9	Confident	80.5	Confident	110 Å²	110	58.3 Å²	58.3	71%	0.714	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.8	-175.2	33.8	-37.3	0	0	0	114.1	V68	P66-V68 PolarHBondContact O-N 3.14Å
67	D	71.3	Confident	80.2	Confident	143 Å²	143	58.8 Å²	58.8	77%	0.765	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.9	-177.7	-57	-39.5	0	0	0	112.9	G65	G65-D67 VanDerWaalsContact C-N 3.26Å; G65-D67 PolarHBondContact O-N 3.06Å
68	V	78.5	Confident	79.7	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.018	29%	0.294	C	S	.	.	S	Bend	trans	-84.5	123.3	176	-170	0	0	0	0	110	V60 F64 P66 V73 I93 F94	V60-V68 HydrophobicContact CG1-CG1 4.12Å; F64-V68 HydrophobicContact CB-CG2 3.6Å; P66-V68 PolarHBondContact O-N 3.14Å; V68-V73 HydrophobicContact CG1-CG2 3.39Å; V68-I93 HydrophobicContact CG1-CB 4.32Å; V68-I93 HydrophobicContact CG1-CD1 4.42Å; V68-F94 HydrophobicContact CG2-CE1 3.79Å; V68-F94 HydrophobicContact CG2-CZ 4.07Å
69	K	74.4	Confident	79.4	Confident	130 Å²	130	60.5 Å²	60.5	57%	0.565	30%	0.295	S	S	*	.			trans	-76.2	139.7	-178.4	-56.5	-175.7	-165.6	162.3	0	112.3	Q71 D72 V73	K69-Q71 VanDerWaalsContact C-N 3.31Å; K69-Q71 PolarHBondContact O-N 2.71Å; K69-D72 HydrophobicContact CB-CB 4.5Å; K69-D72 WeakPolarHBondContact CD-OD2 3.33Å; K69-D72 PolarHBondContact O-N 3.4Å; K69-V73 PolarHBondContact O-N 3.18Å
70	D	74.3	Confident	79.1	Confident	49 Å²	49	59.1 Å²	59.1	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-50.9	-47.6	172.6	-176.6	58.5	0	0	0	112.2	Y53 Y57 D72 V73 K74	Y53-D70 WeakPolarHBondContact CE1-OD1 3.4Å; Y53-D70 PolarHBondContact OH-O 3.21Å; Y53-D70 PolarHBondContact OH-OD1 3Å; Y57-D70 HydrophobicContact CE1-CB 4.28Å; Y57-D70 HydrophobicContact CE2-CB 4.24Å; Y57-D70 PolarHBondContact OH-N 3.33Å; D70-D72 PolarHBondContact O-N 2.99Å; D70-V73 PolarHBondContact O-N 3.42Å; D70-K74 WeakPolarHBondContact O-CB 3.15Å; D70-K74 PolarHBondContact O-N 2.75Å; D70-K74 IonicContact OD1-NZ 2.6Å; D70-K74 WeakPolarHBondContact OD2-CD 3.11Å; D70-K74 WeakPolarHBondContact OD2-CE 3.39Å; D70-K74 IonicContact OD2-NZ 2.85Å; D70-K74 PolarHBondContact OD2-NZ 3.15Å
71	Q	70.5	Confident	78.4	Confident	101 Å²	101	59.2 Å²	59.2	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-40.5	-178.1	-71.2	178.3	-25.9	0	0	113.8	K69 K74 R75	K69-Q71 VanDerWaalsContact C-N 3.31Å; K69-Q71 PolarHBondContact O-N 2.71Å; Q71-K74 WeakPolarHBondContact O-CB 3.42Å; Q71-K74 PolarHBondContact O-N 3.34Å; Q71-R75 WeakPolarHBondContact O-CB 3.24Å; Q71-R75 PolarHBondContact O-N 3.01Å
72	D	77.9	Confident	77.5	Confident	31 Å²	31	58 Å²	58	17%	0.166	28%	0.281	C	S	.	.	H	α-helix	trans	-70.3	-39	-179.3	-66.4	-45.2	0	0	0	110.6	K69 D70 R75 F76	K69-D72 HydrophobicContact CB-CB 4.5Å; K69-D72 WeakPolarHBondContact CD-OD2 3.33Å; K69-D72 PolarHBondContact O-N 3.4Å; D70-D72 PolarHBondContact O-N 2.99Å; D72-R75 PolarHBondContact O-N 2.65Å; D72-F76 WeakPolarHBondContact O-CB 3.25Å; D72-F76 PolarHBondContact O-N 2.83Å
73	V	82.5	Confident	76.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.6	-38.5	173.6	-170.9	0	0	0	0	111.7	Y53 F56 Y57 V60 V68 K69 D70 F76 Y77 I93	Y53-V73 HydrophobicContact CE2-CG1 4.22Å; F56-V73 HydrophobicContact CD1-CG1 3.74Å; F56-V73 HydrophobicContact CE1-CG1 3.63Å; Y57-V73 HydrophobicContact CD2-CB 3.87Å; Y57-V73 HydrophobicContact CD2-CG1 4.01Å; Y57-V73 HydrophobicContact CD2-CG2 3.93Å; Y57-V73 HydrophobicContact CE2-CB 4.36Å; Y57-V73 HydrophobicContact CE2-CG2 4.1Å; V60-V73 HydrophobicContact CB-CG1 4.38Å; V60-V73 HydrophobicContact CG1-CG1 4.42Å; V60-V73 HydrophobicContact CG1-CG2 3.92Å; V60-V73 HydrophobicContact CG2-CG1 4.1Å; V68-V73 HydrophobicContact CG1-CG2 3.39Å; K69-V73 PolarHBondContact O-N 3.18Å; D70-V73 PolarHBondContact O-N 3.42Å; V73-F76 PolarHBondContact O-N 3.08Å; V73-Y77 VanDerWaalsContact O-CB 3.25Å; V73-Y77 WeakPolarHBondContact O-CB 3.39Å; V73-Y77 PolarHBondContact O-N 3.28Å; V73-I93 HydrophobicContact CG2-CB 4.34Å; V73-I93 HydrophobicContact CG2-CG2 4.26Å
74	K	74.4	Confident	76	Confident	13 Å²	13	52.1 Å²	52.1	6%	0.057	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-47	170.8	-112.6	153	-168.7	173.9	0	111.6	Y53 D70 Q71 Y77 R78 E485	Y53-K74 HydrophobicContact CD2-CG 4.32Å; Y53-K74 HydrophobicContact CE1-CD 4.16Å; Y53-K74 HydrophobicContact CE1-CG 4.01Å; Y53-K74 HydrophobicContact CE2-CB 4.24Å; Y53-K74 HydrophobicContact CE2-CG 3.76Å; Y53-K74 PolarHBondContact OH-N 3.42Å; D70-K74 WeakPolarHBondContact O-CB 3.15Å; D70-K74 PolarHBondContact O-N 2.75Å; D70-K74 IonicContact OD1-NZ 2.6Å; D70-K74 WeakPolarHBondContact OD2-CD 3.11Å; D70-K74 WeakPolarHBondContact OD2-CE 3.39Å; D70-K74 IonicContact OD2-NZ 2.85Å; D70-K74 PolarHBondContact OD2-NZ 3.15Å; Q71-K74 WeakPolarHBondContact O-CB 3.42Å; Q71-K74 PolarHBondContact O-N 3.34Å; K74-Y77 PolarHBondContact O-N 3.33Å; K74-R78 WeakPolarHBondContact O-CB 3.46Å; K74-R78 VanDerWaalsContact O-CG 3.26Å; K74-R78 WeakPolarHBondContact O-CG 3.37Å; K74-R78 PolarHBondContact O-N 3.17Å; K74-E485 VanDerWaalsContact NZ-CD 3.25Å; K74-E485 IonicContact NZ-OE1 2.76Å; K74-E485 IonicContact NZ-OE2 2.71Å; K74-E485 PolarHBondContact NZ-OE2 3.35Å
75	R	73.2	Confident	75.3	Confident	171 Å²	171	56 Å²	56	65%	0.645	28%	0.281	S	S	*	.	H	α-helix	trans	-63.4	-44.5	179	-169.9	178.8	-174.6	-174.6	2	111.4	Q71 D72 K79	Q71-R75 WeakPolarHBondContact O-CB 3.24Å; Q71-R75 PolarHBondContact O-N 3.01Å; D72-R75 PolarHBondContact O-N 2.65Å; R75-K79 PolarHBondContact O-N 3.38Å
76	F	81.6	Confident	74.7	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-45.7	175.7	179.6	-85.9	0	0	0	112.6	F25 V29 F56 D72 V73 R78 K79 L80 A88 E92 I93	F25-F76 HydrophobicContact CE1-CE1 4.44Å; F25-F76 HydrophobicContact CE1-CE2 4.5Å; F25-F76 AromaticContact CE1-CZ 3.99Å; F25-F76 HydrophobicContact CE1-CZ 3.99Å; F25-F76 HydrophobicContact CE2-CE1 4.33Å; F25-F76 HydrophobicContact CZ-CD1 4.23Å; F25-F76 AromaticContact CZ-CE1 3.64Å; F25-F76 HydrophobicContact CZ-CE1 3.64Å; F25-F76 HydrophobicContact CZ-CE2 4.2Å; F25-F76 AromaticContact CZ-CZ 3.59Å; F25-F76 HydrophobicContact CZ-CZ 3.59Å; V29-F76 HydrophobicContact CG1-CZ 4.33Å; V29-F76 HydrophobicContact CG2-CE1 3.76Å; V29-F76 HydrophobicContact CG2-CZ 3.77Å; F56-F76 HydrophobicContact CE1-CD1 4.2Å; F56-F76 HydrophobicContact CZ-CD1 4.03Å; F56-F76 AromaticContact CZ-CE1 3.95Å; F56-F76 HydrophobicContact CZ-CE1 3.95Å; D72-F76 WeakPolarHBondContact O-CB 3.25Å; D72-F76 PolarHBondContact O-N 2.83Å; V73-F76 PolarHBondContact O-N 3.08Å; F76-R78 PolarHBondContact O-N 3.3Å; F76-K79 WeakPolarHBondContact O-CB 3.48Å; F76-K79 PolarHBondContact O-N 2.89Å; F76-L80 HydrophobicContact CE1-CD2 4.44Å; F76-L80 PolarHBondContact O-N 3.37Å; F76-A88 HydrophobicContact CE2-CB 4.1Å; F76-A88 HydrophobicContact CZ-CB 3.9Å; F76-E92 HydrophobicContact CD2-CB 3.93Å; F76-I93 HydrophobicContact CB-CG2 3.71Å; F76-I93 HydrophobicContact CD1-CG2 4.12Å; F76-I93 HydrophobicContact CD2-CG2 4.09Å; F76-I93 HydrophobicContact CG-CG2 3.7Å
77	Y	81.3	Confident	74.4	Confident	10 Å²	10	59 Å²	59	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-39.6	177.4	179.1	-95.5	0	0	0	111.7	T32 K36 Y53 F56 V73 K74 L80 C81	T32-Y77 HydrophobicContact CG2-CD2 4.21Å; T32-Y77 HydrophobicContact CG2-CE2 3.8Å; K36-Y77 VanDerWaalsContact CE-OH 3.27Å; K36-Y77 WeakPolarHBondContact CE-OH 3.5Å; K36-Y77 PolarHBondContact NZ-OH 3.19Å; Y53-Y77 AromaticContact CD2-CD1 3.67Å; Y53-Y77 HydrophobicContact CD2-CD1 3.67Å; Y53-Y77 HydrophobicContact CD2-CD2 4.41Å; Y53-Y77 HydrophobicContact CD2-CE1 4.21Å; Y53-Y77 AromaticContact CD2-CG 3.78Å; Y53-Y77 HydrophobicContact CD2-CG 3.78Å; Y53-Y77 HydrophobicContact CE2-CG 4.48Å; Y53-Y77 HydrophobicContact CG-CD1 4.39Å; F56-Y77 HydrophobicContact CB-CD2 4.02Å; F56-Y77 HydrophobicContact CB-CE2 4.06Å; F56-Y77 AromaticContact CD1-CD2 3.68Å; F56-Y77 HydrophobicContact CD1-CD2 3.68Å; F56-Y77 HydrophobicContact CD1-CG 4.27Å; F56-Y77 HydrophobicContact CD2-CD2 4.06Å; F56-Y77 HydrophobicContact CD2-CE2 4.42Å; F56-Y77 HydrophobicContact CE1-CD2 4.12Å; F56-Y77 HydrophobicContact CE2-CD2 4.47Å; F56-Y77 AromaticContact CG-CD2 3.65Å; F56-Y77 HydrophobicContact CG-CD2 3.65Å; F56-Y77 HydrophobicContact CG-CE2 4.11Å; V73-Y77 VanDerWaalsContact O-CB 3.25Å; V73-Y77 WeakPolarHBondContact O-CB 3.39Å; V73-Y77 PolarHBondContact O-N 3.28Å; K74-Y77 PolarHBondContact O-N 3.33Å; Y77-L80 PolarHBondContact O-N 2.85Å; Y77-C81 VanDerWaalsContact CE1-SG 3.53Å; Y77-C81 WeakPolarHBondContact O-CB 3.42Å; Y77-C81 PolarHBondContact O-N 3.03Å; Y77-C81 PolarHBondContact O-SG 3.46Å
78	R	74.8	Confident	74.3	Confident	43 Å²	43	54 Å²	54	16%	0.162	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-44.7	171	-76.1	173.1	179.6	144	3.8	112	K74 F76 L80 C81 N82 L467 E483	K74-R78 WeakPolarHBondContact O-CB 3.46Å; K74-R78 VanDerWaalsContact O-CG 3.26Å; K74-R78 WeakPolarHBondContact O-CG 3.37Å; K74-R78 PolarHBondContact O-N 3.17Å; F76-R78 PolarHBondContact O-N 3.3Å; R78-L80 VanDerWaalsContact C-N 3.3Å; R78-L80 PolarHBondContact O-N 3.16Å; R78-C81 PolarHBondContact O-N 3.16Å; R78-N82 VanDerWaalsContact O-CB 3.29Å; R78-N82 WeakPolarHBondContact O-CB 3.37Å; R78-N82 PolarHBondContact O-N 3.43Å; R78-N82 PolarHBondContact O-OD1 2.97Å; R78-L467 PolarHBondContact NH2-O 2.63Å; R78-E483 IonicContact CZ-OE1 2.76Å; R78-E483 IonicContact NH1-OE1 3.7Å; R78-E483 PolarHBondContact NH1-OE1 2.94Å; R78-E483 IonicContact NH2-OE1 3.13Å; R78-E483 PolarHBondContact NH2-OE1 2.88Å
79	K	77.9	Confident	74.2	Confident	70 Å²	70	55.6 Å²	55.6	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-55.9	-45.8	173.9	-176.7	-165.5	-178.7	-165.7	0	111.2	R75 F76 N82 N83 F87 E92	R75-K79 PolarHBondContact O-N 3.38Å; F76-K79 WeakPolarHBondContact O-CB 3.48Å; F76-K79 PolarHBondContact O-N 2.89Å; K79-N82 PolarHBondContact O-N 2.75Å; K79-N83 PolarHBondContact O-N 3.48Å; K79-F87 PolarHBondContact NZ-O 3.46Å; K79-E92 VanDerWaalsContact CD-OE2 3.27Å; K79-E92 WeakPolarHBondContact CD-OE2 3.13Å; K79-E92 IonicContact NZ-OE1 2.79Å; K79-E92 PolarHBondContact NZ-OE1 3.48Å; K79-E92 IonicContact NZ-OE2 3.65Å; K79-E92 PolarHBondContact NZ-OE2 3.25Å
80	L	81.5	Confident	74.2	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-39.4	179.8	-166.9	66.2	0	0	0	113.1	V29 T32 A33 F76 Y77 R78 N83 T84	V29-L80 HydrophobicContact CG1-CD1 3.88Å; V29-L80 HydrophobicContact CG1-CD2 4.06Å; T32-L80 HydrophobicContact CG2-CD2 3.82Å; A33-L80 HydrophobicContact CB-CD1 4.11Å; F76-L80 HydrophobicContact CE1-CD2 4.44Å; F76-L80 PolarHBondContact O-N 3.37Å; Y77-L80 PolarHBondContact O-N 2.85Å; R78-L80 VanDerWaalsContact C-N 3.3Å; R78-L80 PolarHBondContact O-N 3.16Å; L80-N83 CarbonylContact O-C 3.59Å; L80-T84 PolarHBondContact O-N 3.01Å
81	C	73.4	Confident	74	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-40.3	174.8	-67.7	0	0	0	0	112.1	R40 Y77 R78 F513	R40-C81 PolarHBondContact NE-O 2.91Å; R40-C81 PolarHBondContact NH1-O 3.48Å; R40-C81 PolarHBondContact NH2-O 2.83Å; Y77-C81 VanDerWaalsContact CE1-SG 3.53Å; Y77-C81 WeakPolarHBondContact O-CB 3.42Å; Y77-C81 PolarHBondContact O-N 3.03Å; Y77-C81 PolarHBondContact O-SG 3.46Å; R78-C81 PolarHBondContact O-N 3.16Å; C81-F513 HydrophobicContact CB-CE1 4.23Å
82	N	67.8	Low	74.2	Confident	48 Å²	48	49.8 Å²	49.8	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-74.3	-34.2	-179.1	-68.8	3.2	0	0	0	112.1	R40 R78 K79 G530	R40-N82 VanDerWaalsContact CZ-O 3.3Å; R40-N82 PolarHBondContact NH1-O 3.38Å; R40-N82 PolarHBondContact NH2-O 3.49Å; R78-N82 VanDerWaalsContact O-CB 3.29Å; R78-N82 WeakPolarHBondContact O-CB 3.37Å; R78-N82 PolarHBondContact O-N 3.43Å; R78-N82 PolarHBondContact O-OD1 2.97Å; K79-N82 PolarHBondContact O-N 2.75Å; N82-G530 VanDerWaalsContact ND2-C 3.32Å; N82-G530 WeakPolarHBondContact ND2-CA 3.36Å; N82-G530 PolarHBondContact ND2-O 3.13Å; N82-G530 WeakPolarHBondContact OD1-CA 3.12Å
83	N	73	Confident	74.3	Confident	83 Å²	83	48.4 Å²	48.4	44%	0.444	23%	0.234	S	C	.	.			trans	-142.8	98	178.2	-174.9	-5.5	0	0	0	110.8	K79 L80 D85 A86	K79-N83 PolarHBondContact O-N 3.48Å; L80-N83 CarbonylContact O-C 3.59Å; N83-D85 PolarHBondContact O-N 2.89Å; N83-D85 VanDerWaalsContact O-N 3.14Å; N83-D85 PolarHBondContact OD1-N 2.89Å; N83-A86 HydrophobicContact CB-CB 4.02Å; N83-A86 WeakPolarHBondContact O-CB 3.25Å; N83-A86 PolarHBondContact O-N 3.16Å; N83-A86 PolarHBondContact OD1-N 2.92Å
84	T	68.6	Low	73.9	Confident	20 Å²	20	51.6 Å²	51.6	12%	0.123	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.9	178.9	51.4	0	0	0	0	114.1	K36 R37 L80	K36-T84 HydrophobicContact CB-CG2 3.97Å; R37-T84 HydrophobicContact CB-CG2 4.21Å; L80-T84 PolarHBondContact O-N 3.01Å
85	D	70.1	Confident	73	Confident	113 Å²	113	52 Å²	52	60%	0.604	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	4.1	-171.6	-63	27.9	0	0	0	110.7	R37 N83	R37-D85 IonicContact CZ-OD1 3.93Å; R37-D85 IonicContact NE-OD1 3.24Å; R37-D85 IonicContact NH2-OD1 3.44Å; R37-D85 PolarHBondContact NH2-OD1 2.81Å; R37-D85 IonicContact NH2-OD2 2.8Å; N83-D85 PolarHBondContact O-N 2.89Å; N83-D85 VanDerWaalsContact O-N 3.14Å; N83-D85 PolarHBondContact OD1-N 2.89Å
86	A	67.7	Low	71.8	Confident	26 Å²	26	53 Å²	53	22%	0.215	26%	0.261	C	S	.	.	S	Bend	trans	-68.4	142	175	0	0	0	0	0	111.5	N83 A88	N83-A86 HydrophobicContact CB-CB 4.02Å; N83-A86 WeakPolarHBondContact O-CB 3.25Å; N83-A86 PolarHBondContact O-N 3.16Å; N83-A86 PolarHBondContact OD1-N 2.92Å; A86-A88 PolarHBondContact O-N 2.98Å
87	F	68.1	Low	69.7	Low	170 Å²	170	59.8 Å²	59.8	75%	0.746	29%	0.291	S	S	*	.			trans	-60.8	129	170.2	-168.8	-95.4	0	0	0	110	K79 D89	K79-F87 PolarHBondContact NZ-O 3.46Å; F87-D89 HydrophobicContact CE1-CB 4.21Å
88	A	69.9	Low	67.6	Low	39 Å²	39	63.2 Å²	63.2	32%	0.322	32%	0.316	S	S	.	.			trans	-114.5	94.8	-172.2	0	0	0	0	0	110	V29 F76 A86	V29-A88 HydrophobicContact CG1-CB 3.87Å; F76-A88 HydrophobicContact CE2-CB 4.1Å; F76-A88 HydrophobicContact CZ-CB 3.9Å; A86-A88 PolarHBondContact O-N 2.98Å
89	D	74.8	Confident	65.6	Low	36 Å²	36	66.3 Å²	66.3	19%	0.193	34%	0.344	C	S	.	.			trans	-87.3	132.2	174.4	-168	-12.9	0	0	0	110.4	F87 C91 E92	F87-D89 HydrophobicContact CE1-CB 4.21Å; D89-C91 PolarHBondContact O-N 3.38Å; D89-C91 WeakPolarHBondContact OD1-CB 3.27Å; D89-C91 PolarHBondContact OD1-N 2.6Å; D89-C91 PolarHBondContact OD1-SG 3.4Å; D89-E92 HydrophobicContact CB-CG 4.3Å; D89-E92 PolarHBondContact N-OE1 2.85Å; D89-E92 WeakPolarHBondContact O-CB 3.23Å; D89-E92 PolarHBondContact O-N 3.39Å; D89-E92 VanDerWaalsContact O-N 3.15Å
90	W	75	Confident	63.8	Low	84 Å²	84	72 Å²	72	32%	0.318	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-63.4	-21.3	173	68.6	-89	0	0	0	112.1	F18 L22 F25 E92 I93 F94	F18-W90 HydrophobicContact CE1-CH2 4.11Å; F18-W90 HydrophobicContact CE1-CZ2 4.26Å; F18-W90 HydrophobicContact CE1-CZ3 4.31Å; F18-W90 HydrophobicContact CE2-CZ3 4.5Å; F18-W90 HydrophobicContact CZ-CD2 4.41Å; F18-W90 AromaticContact CZ-CE3 3.89Å; F18-W90 HydrophobicContact CZ-CE3 3.89Å; F18-W90 AromaticContact CZ-CH2 3.78Å; F18-W90 HydrophobicContact CZ-CH2 3.78Å; F18-W90 HydrophobicContact CZ-CZ2 4.3Å; F18-W90 AromaticContact CZ-CZ3 3.56Å; F18-W90 HydrophobicContact CZ-CZ3 3.56Å; L22-W90 HydrophobicContact CD1-CB 3.68Å; L22-W90 VanDerWaalsContact CD1-CD1 3.42Å; L22-W90 HydrophobicContact CD1-CD2 4.35Å; L22-W90 HydrophobicContact CD1-CG 3.51Å; F25-W90 HydrophobicContact CD1-CB 3.98Å; F25-W90 HydrophobicContact CE1-CB 3.96Å; W90-E92 PolarHBondContact O-N 2.87Å; W90-I93 WeakPolarHBondContact O-CG1 3.49Å; W90-I93 PolarHBondContact O-N 3Å; W90-F94 AromaticContact CE3-CD2 3.74Å; W90-F94 HydrophobicContact CE3-CD2 3.74Å; W90-F94 AromaticContact CE3-CE2 3.73Å; W90-F94 HydrophobicContact CE3-CE2 3.73Å; W90-F94 AromaticContact CZ3-CD2 3.88Å; W90-F94 HydrophobicContact CZ3-CD2 3.88Å; W90-F94 HydrophobicContact CZ3-CE2 4Å; W90-F94 WeakPolarHBondContact O-CD2 3.49Å
91	C	70.9	Confident	61.5	Low	27 Å²	27	80.6 Å²	80.6	18%	0.182	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-63.9	-21.4	174.8	-57.4	0	0	0	0	112.9	D89 F94 G95 Y96 F97	D89-C91 PolarHBondContact O-N 3.38Å; D89-C91 WeakPolarHBondContact OD1-CB 3.27Å; D89-C91 PolarHBondContact OD1-N 2.6Å; D89-C91 PolarHBondContact OD1-SG 3.4Å; C91-F94 PolarHBondContact O-N 3.45Å; C91-G95 PolarHBondContact O-N 2.98Å; C91-Y96 PolarHBondContact O-N 2.86Å; C91-F97 HydrophobicContact CB-CE2 4.39Å
92	E	74.3	Confident	59.4	Low	47 Å²	47	85.5 Å²	85.5	22%	0.22	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-68.5	-38.2	-179.1	-68.3	175.1	-133.4	0	0	112.6	F76 K79 D89 W90 F94 G95 F97	F76-E92 HydrophobicContact CD2-CB 3.93Å; K79-E92 VanDerWaalsContact CD-OE2 3.27Å; K79-E92 WeakPolarHBondContact CD-OE2 3.13Å; K79-E92 IonicContact NZ-OE1 2.79Å; K79-E92 PolarHBondContact NZ-OE1 3.48Å; K79-E92 IonicContact NZ-OE2 3.65Å; K79-E92 PolarHBondContact NZ-OE2 3.25Å; D89-E92 HydrophobicContact CB-CG 4.3Å; D89-E92 PolarHBondContact N-OE1 2.85Å; D89-E92 WeakPolarHBondContact O-CB 3.23Å; D89-E92 PolarHBondContact O-N 3.39Å; D89-E92 VanDerWaalsContact O-N 3.15Å; W90-E92 PolarHBondContact O-N 2.87Å; E92-F94 PolarHBondContact O-N 2.8Å; E92-G95 PolarHBondContact O-N 3.16Å; E92-F97 HydrophobicContact CG-CD2 4.23Å
93	I	79.4	Confident	57.7	Low	1 Å²	1	88 Å²	88	1%	0.005	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-71.2	-6.6	175.7	59.8	158.3	0	0	0	113.4	F25 V60 F64 V68 V73 F76 W90	F25-I93 HydrophobicContact CD2-CD1 4.46Å; F25-I93 HydrophobicContact CE2-CD1 3.98Å; F25-I93 HydrophobicContact CE2-CG2 4.47Å; F25-I93 HydrophobicContact CZ-CD1 4.08Å; F25-I93 HydrophobicContact CZ-CG1 4.38Å; F25-I93 HydrophobicContact CZ-CG2 4.09Å; V60-I93 HydrophobicContact CG1-CD1 3.79Å; F64-I93 HydrophobicContact CD2-CD1 3.73Å; F64-I93 HydrophobicContact CE2-CD1 3.63Å; F64-I93 HydrophobicContact CZ-CD1 4.41Å; V68-I93 HydrophobicContact CG1-CB 4.32Å; V68-I93 HydrophobicContact CG1-CD1 4.42Å; V73-I93 HydrophobicContact CG2-CB 4.34Å; V73-I93 HydrophobicContact CG2-CG2 4.26Å; F76-I93 HydrophobicContact CB-CG2 3.71Å; F76-I93 HydrophobicContact CD1-CG2 4.12Å; F76-I93 HydrophobicContact CD2-CG2 4.09Å; F76-I93 HydrophobicContact CG-CG2 3.7Å; W90-I93 WeakPolarHBondContact O-CG1 3.49Å; W90-I93 PolarHBondContact O-N 3Å
94	F	73.9	Confident	55.9	Low	67 Å²	67	88.6 Å²	88.6	29%	0.294	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-107.3	10.6	171.4	-63.5	-79	0	0	0	112.7	F64 V68 W90 C91 E92 Y96	F64-F94 HydrophobicContact CB-CZ 3.97Å; F64-F94 HydrophobicContact CD1-CE2 4.2Å; F64-F94 AromaticContact CD1-CZ 3.77Å; F64-F94 HydrophobicContact CD1-CZ 3.77Å; F64-F94 HydrophobicContact CE1-CE2 4.36Å; F64-F94 HydrophobicContact CE1-CZ 4.38Å; F64-F94 HydrophobicContact CG-CE2 4.42Å; F64-F94 AromaticContact CG-CZ 3.84Å; F64-F94 HydrophobicContact CG-CZ 3.84Å; V68-F94 HydrophobicContact CG2-CE1 3.79Å; V68-F94 HydrophobicContact CG2-CZ 4.07Å; W90-F94 AromaticContact CE3-CD2 3.74Å; W90-F94 HydrophobicContact CE3-CD2 3.74Å; W90-F94 AromaticContact CE3-CE2 3.73Å; W90-F94 HydrophobicContact CE3-CE2 3.73Å; W90-F94 AromaticContact CZ3-CD2 3.88Å; W90-F94 HydrophobicContact CZ3-CD2 3.88Å; W90-F94 HydrophobicContact CZ3-CE2 4Å; W90-F94 WeakPolarHBondContact O-CD2 3.49Å; C91-F94 PolarHBondContact O-N 3.45Å; E92-F94 PolarHBondContact O-N 2.8Å; F94-Y96 VanDerWaalsContact C-N 3.27Å; F94-Y96 HydrophobicContact CB-CD2 3.84Å; F94-Y96 HydrophobicContact CB-CE2 4.21Å; F94-Y96 WeakPolarHBondContact O-CD2 3.04Å; F94-Y96 PolarHBondContact O-N 3.24Å
95	G	56.4	Low	54	Low	21 Å²	21	92.9 Å²	92.9	22%	0.216	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	4.2	171.6	0	0	0	0	0	116.5	C91 E92 F97 S98	C91-G95 PolarHBondContact O-N 2.98Å; E92-G95 PolarHBondContact O-N 3.16Å; G95-F97 PolarHBondContact O-N 3.48Å; G95-S98 WeakPolarHBondContact O-CB 3.48Å; G95-S98 PolarHBondContact O-N 2.71Å; G95-S98 VanDerWaalsContact O-N 3.09Å; G95-S98 PolarHBondContact O-OG 3.42Å
96	Y	47.1	Very low	52.3	Low	192 Å²	192	92.7 Å²	92.7	75%	0.753	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.6	-167.8	-92.8	-86.9	0	0	0	116.1	C91 F94	C91-Y96 PolarHBondContact O-N 2.86Å; F94-Y96 VanDerWaalsContact C-N 3.27Å; F94-Y96 HydrophobicContact CB-CD2 3.84Å; F94-Y96 HydrophobicContact CB-CE2 4.21Å; F94-Y96 WeakPolarHBondContact O-CD2 3.04Å; F94-Y96 PolarHBondContact O-N 3.24Å
97	F	37.7	Very low	50.7	Low	150 Å²	150	96.8 Å²	96.8	66%	0.658	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	7.2	175.6	-82.1	-74.9	0	0	0	114.5	C91 E92 G95 S99	C91-F97 HydrophobicContact CB-CE2 4.39Å; E92-F97 HydrophobicContact CG-CD2 4.23Å; G95-F97 PolarHBondContact O-N 3.48Å; F97-S99 VanDerWaalsContact C-N 3.35Å; F97-S99 PolarHBondContact O-N 2.98Å; F97-S99 VanDerWaalsContact O-N 3.12Å
98	S	38.3	Very low	49	Very low	81 Å²	81	92 Å²	92	57%	0.566	49%	0.489	S	S	*	.			trans	-82	76.9	170.3	-57.7	0	0	0	0	110.8	G95 E100	G95-S98 WeakPolarHBondContact O-CB 3.48Å; G95-S98 PolarHBondContact O-N 2.71Å; G95-S98 VanDerWaalsContact O-N 3.09Å; G95-S98 PolarHBondContact O-OG 3.42Å; S98-E100 PolarHBondContact O-N 2.86Å
99	S	31.4	Very low	47.1	Very low	108 Å²	108	97.5 Å²	97.5	76%	0.755	51%	0.513	S	S	*	.			trans	-71.1	112.6	178.7	57.5	0	0	0	0	112.4	F97 E101	F97-S99 VanDerWaalsContact C-N 3.35Å; F97-S99 PolarHBondContact O-N 2.98Å; F97-S99 VanDerWaalsContact O-N 3.12Å; S99-E101 PolarHBondContact O-N 3.05Å
100	E	40.2	Very low	45.1	Very low	190 Å²	190	102.8 Å²	102.8	89%	0.888	54%	0.537	S	S	*	.	S	Bend	trans	34	61.9	152.7	-59.6	-169	139.1	0	0	118.7	S98	S98-E100 PolarHBondContact O-N 2.86Å
101	E	34.3	Very low	43	Very low	186 Å²	186	102.7 Å²	102.7	87%	0.869	54%	0.54	S	S	*	.			trans	-170	76.6	140.3	-112.6	176.4	-153.2	0	0	112.1	S99	S99-E101 PolarHBondContact O-N 3.05Å
102	D	27.6	Very low	41.1	Very low	106 Å²	106	103.7 Å²	103.7	57%	0.567	54%	0.544	S	S	*	.			trans	-163.8	86.4	153.6	-129.1	-22.9	0	0	0	113.2	I104	D102-I104 PolarHBondContact O-N 3.46Å; D102-I104 VanDerWaalsContact OD1-CD1 3.26Å; D102-I104 WeakPolarHBondContact OD1-CD1 3.38Å; D102-I104 VanDerWaalsContact OD1-CG1 3.32Å; D102-I104 WeakPolarHBondContact OD1-CG1 3.41Å
103	P	33	Very low	39.2	Very low	102 Å²	102	103.1 Å²	103.1	66%	0.662	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-72.8	-1.8	178.1	31.2	-35.3	0	0	0	113.7
104	I	34.3	Very low	37.1	Very low	94 Å²	94	104.7 Å²	104.7	48%	0.482	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-74.3	-34.5	-167.6	-54.1	-179.2	0	0	0	112	D102 S106 Q107 L108	D102-I104 PolarHBondContact O-N 3.46Å; D102-I104 VanDerWaalsContact OD1-CD1 3.26Å; D102-I104 WeakPolarHBondContact OD1-CD1 3.38Å; D102-I104 VanDerWaalsContact OD1-CG1 3.32Å; D102-I104 WeakPolarHBondContact OD1-CG1 3.41Å; I104-S106 PolarHBondContact O-N 3.29Å; I104-Q107 PolarHBondContact O-N 2.87Å; I104-L108 HydrophobicContact CG2-CD1 3.98Å; I104-L108 HydrophobicContact CG2-CD2 4.48Å; I104-L108 HydrophobicContact CG2-CG 4.05Å
105	T	30	Very low	35.3	Very low	111 Å²	111	101.6 Å²	101.6	68%	0.681	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-70.8	-4.6	-170	52.8	0	0	0	0	115.8
106	S	33.4	Very low	34.2	Very low	109 Å²	109	103.5 Å²	103.5	76%	0.762	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-111.6	-1.3	175.1	63.1	0	0	0	0	115	I104	I104-S106 PolarHBondContact O-N 3.29Å
107	Q	34.8	Very low	33.7	Very low	112 Å²	112	96.5 Å²	96.5	52%	0.523	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-19	172.5	-62.3	-165.9	-99.7	0	0	113.6	I104 D109 E110	I104-Q107 PolarHBondContact O-N 2.87Å; Q107-D109 VanDerWaalsContact C-N 3.26Å; Q107-D109 PolarHBondContact O-N 3.03Å; Q107-D109 VanDerWaalsContact O-N 3.09Å; Q107-E110 PolarHBondContact O-N 3.15Å; Q107-E110 VanDerWaalsContact O-N 3.1Å
108	L	31.8	Very low	33.5	Very low	69 Å²	69	93 Å²	93	36%	0.361	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.7	-170.1	-85.9	168.5	0	0	0	116.3	I104	I104-L108 HydrophobicContact CG2-CD1 3.98Å; I104-L108 HydrophobicContact CG2-CD2 4.48Å; I104-L108 HydrophobicContact CG2-CG 4.05Å
109	D	30.1	Very low	33.7	Very low	154 Å²	154	100.6 Å²	100.6	82%	0.824	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.2	177.4	-85.2	-24.6	0	0	0	113.7	Q107	Q107-D109 VanDerWaalsContact C-N 3.26Å; Q107-D109 PolarHBondContact O-N 3.03Å; Q107-D109 VanDerWaalsContact O-N 3.09Å
110	E	33.2	Very low	34.6	Very low	147 Å²	147	97.9 Å²	97.9	69%	0.687	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-14.7	-178.3	-64.8	-149.5	123.7	0	0	114.6	Q107 N112 L113	Q107-E110 PolarHBondContact O-N 3.15Å; Q107-E110 VanDerWaalsContact O-N 3.1Å; E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 3.44Å; E110-L113 WeakPolarHBondContact O-CG 3.36Å
111	E	30.8	Very low	35	Very low	83 Å²	83	97.2 Å²	97.2	39%	0.388	49%	0.492	S	S	.	.	S	Bend	trans	-70.1	-18.2	-173.7	-62	-159.1	147.5	0	0	114.6	L113	E111-L113 PolarHBondContact O-N 3.42Å
112	N	30.5	Very low	36	Very low	48 Å²	48	93.5 Å²	93.5	26%	0.257	47%	0.47	S	S	.	.			trans	-85.1	40.1	-171.8	-71.6	-70.4	0	0	0	114.3	E110	E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 3.44Å
113	L	34.6	Very low	37.3	Very low	34 Å²	34	91.8 Å²	91.8	18%	0.178	46%	0.46	C	S	.	.			trans	-104.4	64.9	-174.4	-65.5	179.9	0	0	0	113.6	E110 E111 H380 R442	E110-L113 WeakPolarHBondContact O-CG 3.36Å; E111-L113 PolarHBondContact O-N 3.42Å; L113-H380 PolarHBondContact O-CE1 2.96Å; L113-R442 VanDerWaalsContact CD1-CZ 3.47Å; L113-R442 HydrophobicContact CD2-CG 3.99Å
114	V	35.1	Very low	38	Very low	34 Å²	34	93.6 Å²	93.6	21%	0.206	46%	0.463	C	S	.	.			trans	-105.7	141.9	179.9	-169.5	0	0	0	0	111.2	L401 Q402	V114-L401 HydrophobicContact CG2-CB 4.19Å; V114-Q402 HydrophobicContact CG1-CB 3.7Å; V114-Q402 VanDerWaalsContact CG1-CD 3.48Å; V114-Q402 HydrophobicContact CG1-CG 3.5Å; V114-Q402 VanDerWaalsContact CG1-CG 3.5Å
115	F	36.2	Very low	38.8	Very low	3 Å²	3	91.4 Å²	91.4	1%	0.013	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-94.7	142	-165.1	-63.8	-67.1	0	0	0	115.1	H380 V392 Q402 L440	F115-H380 HydrophobicContact CE2-CB 4.32Å; F115-H380 AromaticContact CE2-ND1 3.4Å; F115-H380 WeakPolarHBondContact CE2-ND1 3.45Å; F115-H380 AromaticContact CZ-ND1 3.45Å; F115-H380 WeakPolarHBondContact CZ-ND1 3.27Å; F115-V392 HydrophobicContact CD2-CG1 3.96Å; F115-V392 HydrophobicContact CD2-CG2 4.2Å; F115-V392 HydrophobicContact CE2-CG1 3.89Å; F115-Q402 PolarHBondContact O-NE2 3.24Å; F115-Q402 PolarHBondContact O-OE1 2.62Å; F115-L440 HydrophobicContact CB-CB 3.99Å; F115-L440 HydrophobicContact CB-CD2 4.42Å; F115-L440 HydrophobicContact CB-CG 3.61Å; F115-L440 VanDerWaalsContact CD1-C 3.45Å; F115-L440 HydrophobicContact CD1-CB 3.64Å; F115-L440 HydrophobicContact CD1-CG 4.12Å; F115-L440 HydrophobicContact CD2-CB 4.22Å; F115-L440 HydrophobicContact CD2-CD2 3.77Å; F115-L440 HydrophobicContact CD2-CG 3.86Å; F115-L440 HydrophobicContact CE1-CB 4.12Å; F115-L440 WeakPolarHBondContact CE1-O 3.33Å; F115-L440 HydrophobicContact CE2-CD2 4.15Å; F115-L440 HydrophobicContact CG-CB 3.7Å; F115-L440 HydrophobicContact CG-CD2 4.06Å; F115-L440 HydrophobicContact CG-CG 3.61Å
116	F	34.6	Very low	39.2	Very low	60 Å²	60	92 Å²	92	26%	0.263	46%	0.46	S	S	.	.			trans	-86.5	149.4	172.5	-106.5	-95.5	0	0	0	115.8	P439 Q445	F116-P439 CarbonylContact O-C 3.58Å; F116-Q445 HydrophobicContact CD2-CB 4.4Å; F116-Q445 HydrophobicContact CD2-CG 4.16Å; F116-Q445 HydrophobicContact CE1-CG 4.17Å; F116-Q445 HydrophobicContact CE2-CB 3.42Å; F116-Q445 VanDerWaalsContact CE2-CB 3.42Å; F116-Q445 HydrophobicContact CE2-CG 3.49Å; F116-Q445 VanDerWaalsContact CE2-CG 3.49Å; F116-Q445 HydrophobicContact CZ-CB 3.6Å; F116-Q445 HydrophobicContact CZ-CG 3.5Å; F116-Q445 VanDerWaalsContact CZ-CG 3.5Å
117	V	35.5	Very low	39.7	Very low	45 Å²	45	89.9 Å²	89.9	27%	0.273	46%	0.457	S	S	.	.			trans	-109.3	59	169.2	-171.9	0	0	0	0	108.3	R119 F404 Y438	V117-R119 PolarHBondContact O-N 2.95Å; V117-F404 HydrophobicContact CG2-CD2 4.34Å; V117-F404 HydrophobicContact CG2-CE2 4.24Å; V117-F404 HydrophobicContact CG2-CZ 4.34Å; V117-Y438 HydrophobicContact CB-CD1 4.24Å; V117-Y438 HydrophobicContact CG1-CD1 3.3Å; V117-Y438 HydrophobicContact CG1-CE1 3.92Å; V117-Y438 HydrophobicContact CG1-CG 4Å; V117-Y438 HydrophobicContact CG2-CD1 3.83Å
118	S	33.7	Very low	39.9	Very low	77 Å²	77	87.6 Å²	87.6	54%	0.538	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	112.5	179.6	64.7	0	0	0	0	109.9	K120 P439	S118-K120 PolarHBondContact O-N 3.25Å; S118-P439 WeakPolarHBondContact O-CG 3.39Å; S118-P439 WeakPolarHBondContact OG-CG 3.45Å
119	R	42.3	Very low	40.3	Very low	241 Å²	241	96.6 Å²	96.6	91%	0.909	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	33.6	73	-178.8	-77.8	-173.8	168.6	176	-0.6	115.1	V117 R121	V117-R119 PolarHBondContact O-N 2.95Å; R119-R121 PolarHBondContact O-N 3.4Å
120	K	50.5	Low	41.1	Very low	51 Å²	51	98.7 Å²	98.7	22%	0.222	48%	0.478	C	S	.	.			trans	-13.1	97.2	161.9	177.2	174.9	161.1	110.3	0	112.8	S118 R122 D406 D436 M437 Y438	S118-K120 PolarHBondContact O-N 3.25Å; K120-R122 PolarHBondContact O-N 2.97Å; K120-D406 WeakPolarHBondContact CE-OD1 3.29Å; K120-D406 IonicContact NZ-OD1 3.38Å; K120-D406 PolarHBondContact NZ-OD1 3.3Å; K120-D406 IonicContact NZ-OD2 3.53Å; K120-D406 PolarHBondContact NZ-OD2 3.2Å; K120-D406 VanDerWaalsContact NZ-OD2 3.09Å; K120-D436 HydrophobicContact CD-CB 4.39Å; K120-D436 WeakPolarHBondContact CE-OD1 3.2Å; K120-D436 WeakPolarHBondContact CE-OD2 3.39Å; K120-D436 HydrophobicContact CG-CB 4.08Å; K120-D436 IonicContact NZ-OD1 2.9Å; K120-D436 IonicContact NZ-OD2 3.81Å; K120-D436 PolarHBondContact NZ-OD2 2.94Å; K120-M437 CarbonylContact C-O 3.58Å; K120-M437 WeakPolarHBondContact CA-O 3.33Å; K120-Y438 PolarHBondContact NZ-OH 2.84Å
121	R	48.1	Very low	42.3	Very low	175 Å²	175	100.9 Å²	100.9	66%	0.66	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	88.9	-173.4	-174.6	177.1	177.2	-172.7	-0.7	109.8	R119 I123 M437	R119-R121 PolarHBondContact O-N 3.4Å; R121-I123 PolarHBondContact O-N 3.47Å; R121-M437 HydrophobicContact CB-CB 4.44Å; R121-M437 HydrophobicContact CB-CE 4.25Å; R121-M437 HydrophobicContact CG-CE 4.02Å; R121-M437 PolarHBondContact N-O 2.99Å; R121-M437 PolarHBondContact O-N 2.86Å
122	R	55.2	Low	44.1	Very low	108 Å²	108	97.9 Å²	97.9	41%	0.408	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.7	175.4	176.7	154.3	-71.9	-177.1	-7.9	111.5	K120 V434 D436	K120-R122 PolarHBondContact O-N 2.97Å; R122-V434 HydrophobicContact CG-CG1 3.64Å; R122-D436 WeakPolarHBondContact CA-OD1 3.5Å; R122-D436 WeakPolarHBondContact CB-OD1 2.93Å; R122-D436 IonicContact CZ-OD1 2.76Å; R122-D436 IonicContact CZ-OD2 3.18Å; R122-D436 IonicContact NE-OD1 3.7Å; R122-D436 PolarHBondContact NE-OD1 3.36Å; R122-D436 IonicContact NE-OD2 3.57Å; R122-D436 IonicContact NH2-OD1 2.81Å; R122-D436 PolarHBondContact NH2-OD1 2.9Å; R122-D436 IonicContact NH2-OD2 2.78Å; R122-D436 PolarHBondContact NH2-OD2 2.99Å
123	I	54.7	Low	46.3	Very low	70 Å²	70	97 Å²	97	36%	0.359	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.1	164.8	-68	177.8	0	0	0	107.8	R121 I125 M435 M437	R121-I123 PolarHBondContact O-N 3.47Å; I123-I125 PolarHBondContact O-N 3.44Å; I123-M435 HydrophobicContact CD1-SD 4.48Å; I123-M435 PolarHBondContact N-O 2.87Å; I123-M435 VanDerWaalsContact N-O 3.11Å; I123-M437 HydrophobicContact CD1-CE 3.54Å; I123-M437 HydrophobicContact CD1-SD 4.47Å; I123-M437 HydrophobicContact CG1-CE 3.91Å
124	L	48.7	Very low	48.5	Very low	141 Å²	141	95.5 Å²	95.5	74%	0.738	46%	0.456	S	S	*	.			trans	-80.3	114.8	169.6	-156.3	84.2	0	0	0	108.7	S126	L124-S126 PolarHBondContact O-N 3.35Å; L124-S126 VanDerWaalsContact O-N 3.13Å
125	I	51.2	Low	50.7	Low	48 Å²	48	96.6 Å²	96.6	25%	0.246	46%	0.458	C	S	.	.			trans	-67.7	111.1	177.5	-61.4	173.8	0	0	0	108.3	I123 G127 T156	I123-I125 PolarHBondContact O-N 3.44Å; I125-G127 PolarHBondContact O-N 3.48Å; I125-T156 HydrophobicContact CD1-CG2 4.34Å; I125-T156 HydrophobicContact CG2-CG2 3.96Å
126	S	38	Very low	52.9	Low	122 Å²	122	97.1 Å²	97.1	85%	0.853	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	90.6	-171.5	-168.7	0	0	0	0	112	L124	L124-S126 PolarHBondContact O-N 3.35Å; L124-S126 VanDerWaalsContact O-N 3.13Å
127	G	43.5	Very low	55.3	Low	66 Å²	66	94.3 Å²	94.3	68%	0.68	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	169.3	-33.8	168.5	0	0	0	0	0	115.8	I125 R129	I125-G127 PolarHBondContact O-N 3.48Å; G127-R129 PolarHBondContact O-N 3.32Å
128	S	40.7	Very low	57.6	Low	64 Å²	64	92.7 Å²	92.7	45%	0.448	44%	0.439	S	S	.	.			trans	-90.7	99	-168.9	47	0	0	0	0	113.9	R130	S128-R130 PolarHBondContact O-N 3.38Å
129	R	40	Very low	59.9	Low	258 Å²	258	90.5 Å²	90.5	97%	0.974	42%	0.42	S	S	*	.	S	Bend	trans	-68.3	21.2	163.9	-86.5	-171.3	172.7	-172	-1	114	G127	G127-R129 PolarHBondContact O-N 3.32Å
130	R	46.3	Very low	61.6	Low	197 Å²	197	79.2 Å²	79.2	74%	0.743	38%	0.378	S	S	*	.	S	Bend	trans	-136.8	137.9	-174.2	-71.7	-179.2	169.6	177.6	-4.3	109.3	S128 D132	S128-R130 PolarHBondContact O-N 3.38Å; R130-D132 PolarHBondContact O-N 2.88Å
131	R	58.1	Low	62.4	Low	193 Å²	193	80.6 Å²	80.6	73%	0.728	39%	0.392	S	S	*	.			trans	-57.1	119.7	169.1	-54.4	-177	-156.9	169.4	11	107.9	K152 D413	R131-K152 PolarHBondContact O-NZ 3.43Å; R131-D413 IonicContact CZ-OD2 3.25Å; R131-D413 IonicContact NH1-OD2 3.65Å; R131-D413 PolarHBondContact NH1-OD2 2.85Å
132	D	69.3	Low	63.3	Low	20 Å²	20	78.1 Å²	78.1	11%	0.107	39%	0.388	C	S	.	.			trans	-137.2	160	172.7	-170.4	16.7	0	0	0	107.4	R130 T150 K152 S433	R130-D132 PolarHBondContact O-N 2.88Å; D132-T150 WeakPolarHBondContact OD2-CB 3.23Å; D132-T150 PolarHBondContact OD2-OG1 2.73Å; D132-K152 HydrophobicContact CB-CD 4.18Å; D132-K152 WeakPolarHBondContact OD1-CB 3.06Å; D132-K152 WeakPolarHBondContact OD1-CG 3.46Å; D132-K152 PolarHBondContact OD1-N 3.02Å; D132-S433 WeakPolarHBondContact O-CA 3.35Å; D132-S433 WeakPolarHBondContact O-CB 3.23Å
133	V	76.4	Confident	63.8	Low	31 Å²	31	76.4 Å²	76.4	19%	0.188	39%	0.386	C	S	.	.			trans	-131.5	121.3	-163.7	174.4	0	0	0	0	110	K135 T150 Q151 Y417	V133-K135 HydrophobicContact CG1-CD 4.49Å; V133-K135 PolarHBondContact O-N 3.29Å; V133-T150 CarbonylContact O-C 3.58Å; V133-T150 WeakPolarHBondContact O-CA 3.35Å; V133-T150 WeakPolarHBondContact O-CB 3.4Å; V133-Q151 HydrophobicContact CB-CB 4.34Å; V133-Q151 PolarHBondContact O-N 3.02Å; V133-Y417 HydrophobicContact CG1-CD2 3.33Å; V133-Y417 HydrophobicContact CG1-CE2 3.28Å; V133-Y417 HydrophobicContact CG1-CG 4.42Å
134	I	81	Confident	64.5	Low	2 Å²	2	76.8 Å²	76.8	1%	0.01	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	119.2	172.5	-57.9	166.9	0	0	0	107.9	I137 T150 S432 M435	I134-I137 HydrophobicContact CG2-CD1 4.12Å; I134-I137 HydrophobicContact CG2-CG1 3.66Å; I134-T150 HydrophobicContact CG1-CG2 4.4Å; I134-S432 WeakPolarHBondContact CB-O 3.49Å; I134-S432 WeakPolarHBondContact CG1-O 3.35Å; I134-S432 PolarHBondContact N-O 2.82Å; I134-M435 HydrophobicContact CD1-CB 3.88Å
135	K	81.3	Confident	65.7	Low	57 Å²	57	73.1 Å²	73.1	25%	0.248	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-33	177.6	-72	-66	-176.3	-177.4	0	112.5	V133 A149 Q151 Y417	V133-K135 HydrophobicContact CG1-CD 4.49Å; V133-K135 PolarHBondContact O-N 3.29Å; K135-A149 PolarHBondContact N-O 2.98Å; K135-Q151 VanDerWaalsContact CE-OE1 3.24Å; K135-Q151 HydrophobicContact CG-CB 4.06Å; K135-Y417 HydrophobicContact CD-CD1 4.33Å; K135-Y417 HydrophobicContact CD-CG 4.17Å; K135-Y417 VanDerWaalsContact NZ-CE1 3.33Å
136	S	81.9	Confident	66.9	Low	13 Å²	13	73 Å²	73	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139	-176.6	-171.4	0	0	0	0	110.9	T148 A149 C169	S136-T148 CarbonylContact O-C 3.6Å; S136-T148 WeakPolarHBondContact O-CA 3.46Å; S136-A149 PolarHBondContact N-O 2.72Å; S136-A149 PolarHBondContact O-N 2.84Å; S136-C169 PolarHBondContact OG-N 3.25Å
137	I	85.8	Confident	68.8	Low	2 Å²	2	67.3 Å²	67.3	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.4	171.6	-58.5	-172.7	0	0	0	107.3	I134 L146 I147 T148 S418 I420 I429	I134-I137 HydrophobicContact CG2-CD1 4.12Å; I134-I137 HydrophobicContact CG2-CG1 3.66Å; I137-L146 HydrophobicContact CG2-CD1 3.62Å; I137-L146 HydrophobicContact CG2-CD2 4.32Å; I137-L146 HydrophobicContact CG2-CG 4.08Å; I137-I147 CarbonylContact C-O 3.55Å; I137-I147 WeakPolarHBondContact CA-O 3.28Å; I137-T148 HydrophobicContact CB-CG2 4.18Å; I137-T148 HydrophobicContact CD1-CG2 4.24Å; I137-T148 HydrophobicContact CG1-CG2 3.73Å; I137-T148 HydrophobicContact CG2-CG2 3.98Å; I137-S418 PolarHBondContact N-OG 3.29Å; I137-S418 VanDerWaalsContact N-OG 3.16Å; I137-I420 HydrophobicContact CG2-CB 4.44Å; I137-I420 HydrophobicContact CG2-CD1 4.17Å; I137-I420 HydrophobicContact CG2-CG1 4.38Å; I137-I420 WeakPolarHBondContact O-CD1 3.26Å; I137-I429 HydrophobicContact CD1-CG2 4.17Å
138	V	83.5	Confident	70.5	Confident	11 Å²	11	64.3 Å²	64.3	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	128.3	171.3	172	0	0	0	0	109.6	I147 C169	V138-I147 HydrophobicContact CB-CB 4.48Å; V138-I147 PolarHBondContact N-O 2.82Å; V138-I147 PolarHBondContact O-N 2.95Å; V138-C169 WeakPolarHBondContact CG2-O 3.49Å
139	K	80.6	Confident	72.3	Confident	31 Å²	31	61.2 Å²	61.2	14%	0.135	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.1	167.3	179.5	167.9	-178.2	167	0	109.8	P141 D144 L146 I420 D422	K139-P141 WeakPolarHBondContact O-CD 3.47Å; K139-D144 WeakPolarHBondContact CE-OD1 3.48Å; K139-D144 IonicContact NZ-OD1 2.8Å; K139-D144 PolarHBondContact NZ-OD1 2.84Å; K139-L146 HydrophobicContact CB-CD1 4.11Å; K139-I420 HydrophobicContact CB-CG2 4.45Å; K139-D422 HydrophobicContact CD-CB 4.44Å; K139-D422 IonicContact NZ-OD1 2.92Å; K139-D422 PolarHBondContact NZ-OD1 3.23Å; K139-D422 IonicContact NZ-OD2 3.88Å; K139-D422 PolarHBondContact NZ-OD2 2.55Å
140	V	78.6	Confident	74.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	97.3	175	-177.4	0	0	0	0	108.6	H142 L143 D144 L145 I147 Y171	V140-H142 VanDerWaalsContact C-N 3.35Å; V140-H142 WeakPolarHBondContact CG1-NE2 3.45Å; V140-H142 PolarHBondContact O-N 3.19Å; V140-L143 HydrophobicContact CG1-CB 4.15Å; V140-L143 HydrophobicContact CG1-CD1 4.13Å; V140-L143 HydrophobicContact CG1-CG 4.2Å; V140-L143 PolarHBondContact O-N 3.3Å; V140-L143 VanDerWaalsContact O-N 3.16Å; V140-D144 PolarHBondContact O-N 3.37Å; V140-D144 VanDerWaalsContact O-N 3.12Å; V140-L145 HydrophobicContact CB-CB 4.41Å; V140-L145 PolarHBondContact N-O 2.91Å; V140-I147 HydrophobicContact CG2-CD1 3.6Å; V140-I147 HydrophobicContact CG2-CG1 4.12Å; V140-Y171 HydrophobicContact CG1-CD1 3.75Å; V140-Y171 HydrophobicContact CG1-CE1 3.97Å; V140-Y171 HydrophobicContact CG1-CG 4.15Å; V140-Y171 HydrophobicContact CG2-CD1 4.26Å; V140-Y171 HydrophobicContact CG2-CD2 4.28Å; V140-Y171 HydrophobicContact CG2-CG 3.84Å
141	P	67.1	Low	75.5	Confident	81 Å²	81	42.3 Å²	42.3	53%	0.526	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-36.3	-161.3	-24.8	35.7	0	0	0	114.3	K139 L143	K139-P141 WeakPolarHBondContact O-CD 3.47Å; P141-L143 VanDerWaalsContact C-N 3.3Å; P141-L143 PolarHBondContact O-N 3.08Å
142	H	67.3	Low	76.1	Confident	122 Å²	122	38 Å²	38	57%	0.565	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-1	-177.3	33.6	-97.4	0	0	0	114.3	V140 L173	V140-H142 VanDerWaalsContact C-N 3.35Å; V140-H142 WeakPolarHBondContact CG1-NE2 3.45Å; V140-H142 PolarHBondContact O-N 3.19Å; H142-L173 WeakPolarHBondContact CE1-CD2 3.36Å; H142-L173 WeakPolarHBondContact NE2-CD2 3.27Å
143	L	66.1	Low	75.8	Confident	72 Å²	72	37.3 Å²	37.3	38%	0.377	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-4.1	170.8	-64.3	178.7	0	0	0	112.8	V140 P141 L145 Y191	V140-L143 HydrophobicContact CG1-CB 4.15Å; V140-L143 HydrophobicContact CG1-CD1 4.13Å; V140-L143 HydrophobicContact CG1-CG 4.2Å; V140-L143 PolarHBondContact O-N 3.3Å; V140-L143 VanDerWaalsContact O-N 3.16Å; P141-L143 VanDerWaalsContact C-N 3.3Å; P141-L143 PolarHBondContact O-N 3.08Å; L143-L145 HydrophobicContact CB-CB 4.27Å; L143-L145 HydrophobicContact CB-CD1 3.86Å; L143-L145 HydrophobicContact CB-CG 3.89Å; L143-L145 HydrophobicContact CD1-CD1 3.92Å; L143-L145 PolarHBondContact O-N 2.86Å; L143-L145 VanDerWaalsContact O-N 3.13Å; L143-Y191 HydrophobicContact CD1-CE2 4.33Å
144	D	68.2	Low	75.2	Confident	79 Å²	79	36.6 Å²	36.6	42%	0.422	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	28.2	-168.6	-146.3	42.4	0	0	0	114.1	K139 V140 H425	K139-D144 WeakPolarHBondContact CE-OD1 3.48Å; K139-D144 IonicContact NZ-OD1 2.8Å; K139-D144 PolarHBondContact NZ-OD1 2.84Å; V140-D144 PolarHBondContact O-N 3.37Å; V140-D144 VanDerWaalsContact O-N 3.12Å; D144-H425 IonicContact OD1-CD2 3.29Å; D144-H425 IonicContact OD1-NE2 3.96Å; D144-H425 PolarHBondContact OD1-NE2 2.76Å; D144-H425 IonicContact OD2-CD2 2.73Å; D144-H425 IonicContact OD2-CE1 3.74Å; D144-H425 IonicContact OD2-NE2 3.75Å; D144-H425 PolarHBondContact OD2-NE2 2.7Å
145	L	75.8	Confident	74.4	Confident	64 Å²	64	37.5 Å²	37.5	34%	0.335	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.5	179.9	-72.7	174.1	0	0	0	111.4	V140 L143 Y191	V140-L145 HydrophobicContact CB-CB 4.41Å; V140-L145 PolarHBondContact N-O 2.91Å; L143-L145 HydrophobicContact CB-CB 4.27Å; L143-L145 HydrophobicContact CB-CD1 3.86Å; L143-L145 HydrophobicContact CB-CG 3.89Å; L143-L145 HydrophobicContact CD1-CD1 3.92Å; L143-L145 PolarHBondContact O-N 2.86Å; L143-L145 VanDerWaalsContact O-N 3.13Å; L145-Y191 HydrophobicContact CD1-CD2 4.43Å; L145-Y191 HydrophobicContact CD1-CE2 4.23Å
146	L	76.1	Confident	73.4	Confident	45 Å²	45	36.5 Å²	36.5	24%	0.236	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.9	169.7	-164.7	75.7	0	0	0	109.6	I137 K139 T148 I429 M435	I137-L146 HydrophobicContact CG2-CD1 3.62Å; I137-L146 HydrophobicContact CG2-CD2 4.32Å; I137-L146 HydrophobicContact CG2-CG 4.08Å; K139-L146 HydrophobicContact CB-CD1 4.11Å; L146-T148 HydrophobicContact CD2-CG2 3.98Å; L146-T148 HydrophobicContact CG-CG2 4.09Å; L146-I429 HydrophobicContact CD1-CD1 3.94Å; L146-I429 HydrophobicContact CD2-CD1 4.21Å; L146-I429 HydrophobicContact CD2-CG2 4.1Å; L146-M435 HydrophobicContact CD2-CE 4.2Å; L146-M435 HydrophobicContact CD2-SD 3.6Å; L146-M435 VanDerWaalsContact CD2-SD 3.6Å
147	I	77.6	Confident	72	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.5	170	-55	168.4	0	0	0	107.3	I137 V138 V140 I155 V157 C169 Y171 I178	I137-I147 CarbonylContact C-O 3.55Å; I137-I147 WeakPolarHBondContact CA-O 3.28Å; V138-I147 HydrophobicContact CB-CB 4.48Å; V138-I147 PolarHBondContact N-O 2.82Å; V138-I147 PolarHBondContact O-N 2.95Å; V140-I147 HydrophobicContact CG2-CD1 3.6Å; V140-I147 HydrophobicContact CG2-CG1 4.12Å; I147-I155 HydrophobicContact CG2-CG2 3.88Å; I147-V157 HydrophobicContact CB-CG2 4.17Å; I147-V157 HydrophobicContact CG1-CG2 3.92Å; I147-V157 HydrophobicContact CG2-CG2 4.23Å; I147-C169 HydrophobicContact CG2-CB 4.43Å; I147-Y171 HydrophobicContact CD1-CD2 4.16Å; I147-Y171 HydrophobicContact CD1-CG 4.41Å; I147-I178 HydrophobicContact CD1-CD1 4.2Å; I147-I178 HydrophobicContact CD1-CG1 3.93Å; I147-I178 HydrophobicContact CD1-CG2 4.33Å; I147-I178 HydrophobicContact CG1-CD1 4.25Å; I147-I178 HydrophobicContact CG2-CD1 4.48Å; I147-I178 HydrophobicContact CG2-CG2 4.11Å
148	T	78.6	Confident	69.7	Low	2 Å²	2	41 Å²	41	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.5	171.8	57.8	0	0	0	0	110.5	S136 I137 L146 I155 T156 M435	S136-T148 CarbonylContact O-C 3.6Å; S136-T148 WeakPolarHBondContact O-CA 3.46Å; I137-T148 HydrophobicContact CB-CG2 4.18Å; I137-T148 HydrophobicContact CD1-CG2 4.24Å; I137-T148 HydrophobicContact CG1-CG2 3.73Å; I137-T148 HydrophobicContact CG2-CG2 3.98Å; L146-T148 HydrophobicContact CD2-CG2 3.98Å; L146-T148 HydrophobicContact CG-CG2 4.09Å; T148-I155 CarbonylContact O-C 3.59Å; T148-I155 WeakPolarHBondContact O-CA 3.36Å; T148-T156 PolarHBondContact O-N 3.3Å; T148-T156 PolarHBondContact OG1-OG1 3.41Å; T148-M435 HydrophobicContact CG2-CE 3.77Å
149	A	79.5	Confident	67.2	Low	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.5	178.5	0	0	0	0	0	111.5	K135 S136 I155 I166 C169	K135-A149 PolarHBondContact N-O 2.98Å; S136-A149 PolarHBondContact N-O 2.72Å; S136-A149 PolarHBondContact O-N 2.84Å; A149-I155 HydrophobicContact CB-CG1 4.34Å; A149-I166 HydrophobicContact CB-CB 4.32Å; A149-I166 HydrophobicContact CB-CD1 4.28Å; A149-I166 HydrophobicContact CB-CG2 3.66Å; A149-C169 HydrophobicContact CB-CB 3.95Å
150	T	78.3	Confident	65.3	Low	4 Å²	4	49.6 Å²	49.6	3%	0.025	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	163.1	179.8	78.6	0	0	0	0	113.4	D132 V133 I134 K152 G153 L154	D132-T150 WeakPolarHBondContact OD2-CB 3.23Å; D132-T150 PolarHBondContact OD2-OG1 2.73Å; V133-T150 CarbonylContact O-C 3.58Å; V133-T150 WeakPolarHBondContact O-CA 3.35Å; V133-T150 WeakPolarHBondContact O-CB 3.4Å; I134-T150 HydrophobicContact CG1-CG2 4.4Å; T150-K152 PolarHBondContact O-N 2.9Å; T150-K152 PolarHBondContact OG1-N 2.75Å; T150-G153 PolarHBondContact O-N 2.83Å; T150-L154 HydrophobicContact CG2-CB 4.33Å; T150-L154 PolarHBondContact N-O 3.06Å; T150-L154 WeakPolarHBondContact OG1-CB 3.42Å; T150-L154 PolarHBondContact OG1-N 2.92Å; T150-L154 PolarHBondContact OG1-O 3.22Å
151	Q	75.3	Confident	63.8	Low	53 Å²	53	56.6 Å²	56.6	25%	0.248	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.3	175.2	-173.2	170.5	-9.4	0	0	112.9	V133 K135 W165	V133-Q151 HydrophobicContact CB-CB 4.34Å; V133-Q151 PolarHBondContact O-N 3.02Å; K135-Q151 VanDerWaalsContact CE-OE1 3.24Å; K135-Q151 HydrophobicContact CG-CB 4.06Å; Q151-W165 HydrophobicContact CG-CG 4.23Å; Q151-W165 WeakPolarHBondContact O-CA 3.04Å
152	K	69.4	Low	62.6	Low	102 Å²	102	55 Å²	55	44%	0.443	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	45.5	177.6	-62.9	172	-177.7	171.7	0	112.6	R131 D132 T150 L154 D162	R131-K152 PolarHBondContact O-NZ 3.43Å; D132-K152 HydrophobicContact CB-CD 4.18Å; D132-K152 WeakPolarHBondContact OD1-CB 3.06Å; D132-K152 WeakPolarHBondContact OD1-CG 3.46Å; D132-K152 PolarHBondContact OD1-N 3.02Å; T150-K152 PolarHBondContact O-N 2.9Å; T150-K152 PolarHBondContact OG1-N 2.75Å; K152-L154 PolarHBondContact O-N 3.3Å; K152-D162 VanDerWaalsContact O-O 3.13Å
153	G	62.3	Low	61.8	Low	7 Å²	7	55.7 Å²	55.7	7%	0.072	29%	0.292	C	S	.	.	S	Bend	trans	69.8	2	168.6	0	0	0	0	0	116.3	T150 D162 S164	T150-G153 PolarHBondContact O-N 2.83Å; G153-D162 WeakPolarHBondContact CA-O 3.36Å; G153-S164 VanDerWaalsContact CA-O 3.29Å; G153-S164 WeakPolarHBondContact CA-O 3.33Å; G153-S164 PolarHBondContact N-O 3.26Å
154	L	63.8	Low	61.4	Low	16 Å²	16	54.2 Å²	54.2	8%	0.084	29%	0.287	C	S	.	.			trans	-90.6	124.3	-173.6	-170.3	68	0	0	0	110.7	T150 K152 T156 N160	T150-L154 HydrophobicContact CG2-CB 4.33Å; T150-L154 PolarHBondContact N-O 3.06Å; T150-L154 WeakPolarHBondContact OG1-CB 3.42Å; T150-L154 PolarHBondContact OG1-N 2.92Å; T150-L154 PolarHBondContact OG1-O 3.22Å; K152-L154 PolarHBondContact O-N 3.3Å; L154-T156 HydrophobicContact CD1-CG2 4.5Å; L154-T156 HydrophobicContact CD2-CG2 3.45Å; L154-T156 VanDerWaalsContact CD2-CG2 3.45Å; L154-T156 HydrophobicContact CG-CG2 3.53Å; L154-N160 WeakPolarHBondContact CD1-O 3.48Å
155	I	65.7	Low	61.2	Low	20 Å²	20	57.2 Å²	57.2	10%	0.103	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-109.3	93.4	175.9	-55.1	176.9	0	0	0	108.8	I147 T148 A149 V157 F158 I166 A180	I147-I155 HydrophobicContact CG2-CG2 3.88Å; T148-I155 CarbonylContact O-C 3.59Å; T148-I155 WeakPolarHBondContact O-CA 3.36Å; A149-I155 HydrophobicContact CB-CG1 4.34Å; I155-V157 PolarHBondContact O-N 2.74Å; I155-F158 PolarHBondContact O-N 3.28Å; I155-F158 VanDerWaalsContact O-O 3.08Å; I155-I166 HydrophobicContact CD1-CD1 3.96Å; I155-I166 HydrophobicContact CG1-CD1 3.61Å; I155-A180 HydrophobicContact CD1-CB 3.74Å
156	T	59.4	Low	61.4	Low	36 Å²	36	54.5 Å²	54.5	22%	0.221	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	34.9	-164.4	59.9	0	0	0	0	116.2	I125 T148 L154 F158	I125-T156 HydrophobicContact CD1-CG2 4.34Å; I125-T156 HydrophobicContact CG2-CG2 3.96Å; T148-T156 PolarHBondContact O-N 3.3Å; T148-T156 PolarHBondContact OG1-OG1 3.41Å; L154-T156 HydrophobicContact CD1-CG2 4.5Å; L154-T156 HydrophobicContact CD2-CG2 3.45Å; L154-T156 VanDerWaalsContact CD2-CG2 3.45Å; L154-T156 HydrophobicContact CG-CG2 3.53Å; T156-F158 WeakPolarHBondContact CA-O 3.42Å
157	V	52.9	Low	61.6	Low	39 Å²	39	54.4 Å²	54.4	24%	0.236	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.7	143.1	-167.9	0	0	0	0	109.4	I147 I155 I178	I147-V157 HydrophobicContact CB-CG2 4.17Å; I147-V157 HydrophobicContact CG1-CG2 3.92Å; I147-V157 HydrophobicContact CG2-CG2 4.23Å; I155-V157 PolarHBondContact O-N 2.74Å; V157-I178 HydrophobicContact CB-CD1 4.45Å; V157-I178 HydrophobicContact CG2-CD1 4.05Å
158	F	37.4	Very low	61.8	Low	72 Å²	72	54.5 Å²	54.5	32%	0.316	28%	0.281	S	S	.	.	S	Bend	trans	-136.9	173.7	-176.9	-79	-89.8	0	0	0	112.2	I155 T156 Y191 Q194	I155-F158 PolarHBondContact O-N 3.28Å; I155-F158 VanDerWaalsContact O-O 3.08Å; T156-F158 WeakPolarHBondContact CA-O 3.42Å; F158-Y191 VanDerWaalsContact CE2-O 3.25Å; F158-Y191 WeakPolarHBondContact CE2-O 3.33Å; F158-Y191 WeakPolarHBondContact CZ-O 3.46Å; F158-Q194 HydrophobicContact CE1-CB 3.59Å; F158-Q194 VanDerWaalsContact CE1-CD 3.48Å; F158-Q194 HydrophobicContact CE1-CG 3.6Å; F158-Q194 HydrophobicContact CZ-CB 3.89Å; F158-Q194 HydrophobicContact CZ-CG 4.2Å
159	N	31.1	Very low	62.2	Low	122 Å²	122	54.4 Å²	54.4	65%	0.652	28%	0.281	S	S	*	.			trans	-131.6	89.7	-174.4	178.8	45.9	0	0	0	111.9
160	N	41.1	Very low	62.6	Low	99 Å²	99	55.4 Å²	55.4	53%	0.529	29%	0.286	S	S	.	.			trans	-149.9	159.9	157.5	-154.4	0.2	0	0	0	110.8	L154 E199	L154-N160 WeakPolarHBondContact CD1-O 3.48Å; N160-E199 PolarHBondContact ND2-OE1 2.88Å
161	Q	46.3	Very low	62.9	Low	150 Å²	150	55.9 Å²	55.9	70%	0.701	29%	0.288	S	S	*	.			trans	-106.1	93.1	-167.1	-64.8	176.2	18.1	0	0	112.7
162	D	42.9	Very low	63.4	Low	48 Å²	48	53.4 Å²	53.4	26%	0.257	28%	0.276	S	S	.	.			trans	-75.4	147.3	156	-99.3	-32.1	0	0	0	109.8	K152 G153 W189	K152-D162 VanDerWaalsContact O-O 3.13Å; G153-D162 WeakPolarHBondContact CA-O 3.36Å; D162-W189 WeakPolarHBondContact OD2-CZ2 3.47Å
163	T	48.9	Very low	63.8	Low	137 Å²	137	51 Å²	51	84%	0.84	27%	0.268	S	S	*	.			trans	-93.6	-4.5	-173.7	52.7	0	0	0	0	114.6
164	S	57.8	Low	64.7	Low	41 Å²	41	53.2 Å²	53.2	29%	0.287	28%	0.276	S	S	.	.	S	Bend	trans	-86.2	149.5	-175.5	50.8	0	0	0	0	112.8	G153 I166	G153-S164 VanDerWaalsContact CA-O 3.29Å; G153-S164 WeakPolarHBondContact CA-O 3.33Å; G153-S164 PolarHBondContact N-O 3.26Å; S164-I166 PolarHBondContact O-N 3.47Å
165	W	64.9	Low	65.4	Low	142 Å²	142	53.3 Å²	53.3	54%	0.538	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-76.9	119.8	177.9	-67.6	-5.3	0	0	0	111.1	Q151 T182	Q151-W165 HydrophobicContact CG-CG 4.23Å; Q151-W165 WeakPolarHBondContact O-CA 3.04Å; W165-T182 WeakPolarHBondContact O-CA 3.45Å; W165-T182 WeakPolarHBondContact O-CB 3.44Å; W165-T182 WeakPolarHBondContact O-CG2 3.4Å
166	I	79.7	Confident	66	Low	7 Å²	7	57.9 Å²	57.9	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.9	172.2	-60.3	168.2	0	0	0	109.1	A149 I155 S164 G168 A180 T181 T182	A149-I166 HydrophobicContact CB-CB 4.32Å; A149-I166 HydrophobicContact CB-CD1 4.28Å; A149-I166 HydrophobicContact CB-CG2 3.66Å; I155-I166 HydrophobicContact CD1-CD1 3.96Å; I155-I166 HydrophobicContact CG1-CD1 3.61Å; S164-I166 PolarHBondContact O-N 3.47Å; I166-G168 VanDerWaalsContact CG2-O 3.29Å; I166-G168 WeakPolarHBondContact CG2-O 3.06Å; I166-A180 HydrophobicContact CG2-CB 4.13Å; I166-T181 CarbonylContact C-O 3.56Å; I166-T181 WeakPolarHBondContact CA-O 3.45Å; I166-T181 WeakPolarHBondContact CG2-O 3.46Å; I166-T182 HydrophobicContact CG1-CG2 4.08Å
167	T	80.9	Confident	67.1	Low	43 Å²	43	56.8 Å²	56.8	26%	0.264	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-37.1	178.8	55.9	0	0	0	0	111.8	T181 L211 L212	T167-T181 PolarHBondContact N-O 3.25Å; T167-T181 PolarHBondContact OG1-O 3.39Å; T167-T181 PolarHBondContact OG1-OG1 2.61Å; T167-L211 VanDerWaalsContact CB-O 3.28Å; T167-L211 WeakPolarHBondContact CB-O 3.33Å; T167-L211 VanDerWaalsContact CG2-O 3.28Å; T167-L211 WeakPolarHBondContact CG2-O 3.03Å; T167-L211 PolarHBondContact OG1-O 3.09Å; T167-L212 WeakPolarHBondContact CB-O 3.49Å
168	G	81.8	Confident	68.5	Low	4 Å²	4	55.3 Å²	55.3	4%	0.041	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.3	178.1	0	0	0	0	0	113.5	I166 A180 T181	I166-G168 VanDerWaalsContact CG2-O 3.29Å; I166-G168 WeakPolarHBondContact CG2-O 3.06Å; G168-A180 CarbonylContact O-C 3.54Å; G168-A180 WeakPolarHBondContact O-CA 3.48Å; G168-T181 PolarHBondContact N-OG1 3.5Å; G168-T181 VanDerWaalsContact N-OG1 3.16Å; G168-T181 PolarHBondContact O-N 3.27Å; G168-T181 PolarHBondContact O-OG1 3.02Å
169	C	87.5	Confident	70.9	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.5	172.6	66.8	0	0	0	0	111.5	S136 V138 I147 A149 V179 A180	S136-C169 PolarHBondContact OG-N 3.25Å; V138-C169 WeakPolarHBondContact CG2-O 3.49Å; I147-C169 HydrophobicContact CG2-CB 4.43Å; A149-C169 HydrophobicContact CB-CB 3.95Å; C169-V179 CarbonylContact C-O 3.55Å; C169-V179 VanDerWaalsContact CA-O 3.23Å; C169-V179 WeakPolarHBondContact CA-O 3.47Å; C169-A180 HydrophobicContact CB-CB 4.38Å
170	D	86.7	Confident	73.5	Confident	21 Å²	21	46.1 Å²	46.1	11%	0.112	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	-179	173.6	-154.4	-12.3	0	0	0	110.7	V179 C215 V216	D170-V179 HydrophobicContact CB-CG1 3.98Å; D170-V179 PolarHBondContact N-O 2.99Å; D170-V179 WeakPolarHBondContact O-CG1 3.33Å; D170-V179 PolarHBondContact O-N 3.33Å; D170-C215 VanDerWaalsContact OD2-CA 3.25Å; D170-C215 WeakPolarHBondContact OD2-CA 3.21Å; D170-V216 HydrophobicContact CB-CG2 4.02Å; D170-V216 PolarHBondContact OD2-N 2.88Å
171	Y	86.1	Confident	75.6	Confident	14 Å²	14	41.4 Å²	41.4	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.3	-176.6	-175.9	-101.2	0	0	0	113.1	V140 I147 L173 K176 R177 I178 Y191	V140-Y171 HydrophobicContact CG1-CD1 3.75Å; V140-Y171 HydrophobicContact CG1-CE1 3.97Å; V140-Y171 HydrophobicContact CG1-CG 4.15Å; V140-Y171 HydrophobicContact CG2-CD1 4.26Å; V140-Y171 HydrophobicContact CG2-CD2 4.28Å; V140-Y171 HydrophobicContact CG2-CG 3.84Å; I147-Y171 HydrophobicContact CD1-CD2 4.16Å; I147-Y171 HydrophobicContact CD1-CG 4.41Å; Y171-L173 HydrophobicContact CD1-CD2 3.95Å; Y171-L173 HydrophobicContact CE1-CD2 4.29Å; Y171-L173 PolarHBondContact O-N 3.18Å; Y171-K176 WeakPolarHBondContact OH-CA 3.38Å; Y171-K176 WeakPolarHBondContact OH-CB 3.39Å; Y171-R177 WeakPolarHBondContact CD2-O 3.46Å; Y171-I178 HydrophobicContact CD2-CG1 4.16Å; Y171-Y191 HydrophobicContact CE2-CD1 4.07Å; Y171-Y191 HydrophobicContact CE2-CE1 4.07Å; Y171-Y191 WeakPolarHBondContact OH-CE1 3.35Å
172	L	84.5	Confident	77.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	116.4	176	-60.3	168.6	0	0	0	109.4	L175 K176 R177 V179 V188 V216 D226 I228	L172-L175 HydrophobicContact CB-CB 4.21Å; L172-K176 WeakPolarHBondContact O-CA 3.32Å; L172-K176 PolarHBondContact O-N 3.11Å; L172-R177 HydrophobicContact CB-CB 4.34Å; L172-R177 WeakPolarHBondContact CB-O 3.23Å; L172-R177 HydrophobicContact CD1-CB 3.99Å; L172-R177 PolarHBondContact N-O 2.04Å; L172-R177 PolarHBondContact O-N 3.4Å; L172-V179 HydrophobicContact CD1-CB 4.26Å; L172-V179 HydrophobicContact CD2-CG1 4.27Å; L172-V179 HydrophobicContact CG-CB 4.21Å; L172-V179 HydrophobicContact CG-CG1 4.2Å; L172-V188 HydrophobicContact CD1-CG1 3.62Å; L172-V188 HydrophobicContact CD1-CG2 4.28Å; L172-V216 HydrophobicContact CD2-CG1 4.25Å; L172-V216 HydrophobicContact CD2-CG2 3.66Å; L172-V216 HydrophobicContact CG-CG2 4.39Å; L172-D226 HydrophobicContact CB-CB 4.4Å; L172-D226 HydrophobicContact CD2-CB 3.75Å; L172-I228 HydrophobicContact CD2-CD1 3.78Å; L172-I228 HydrophobicContact CD2-CG1 3.74Å
173	L	78.9	Confident	79	Confident	53 Å²	53	36.9 Å²	36.9	28%	0.277	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-45.9	-164.7	-68.1	165.9	0	0	0	112.2	H142 Y171 K176 P218 D226	H142-L173 WeakPolarHBondContact CE1-CD2 3.36Å; H142-L173 WeakPolarHBondContact NE2-CD2 3.27Å; Y171-L173 HydrophobicContact CD1-CD2 3.95Å; Y171-L173 HydrophobicContact CE1-CD2 4.29Å; Y171-L173 PolarHBondContact O-N 3.18Å; L173-K176 WeakPolarHBondContact O-CG 3.34Å; L173-P218 HydrophobicContact CD1-CB 3.61Å; L173-D226 PolarHBondContact N-OD1 2.83Å
174	Q	80.4	Confident	80.6	Confident	52 Å²	52	36.3 Å²	36.3	24%	0.243	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-42.4	-179.5	-60.3	-70.8	3.3	0	0	110.6	L219 P220 R225 D226	Q174-L219 PolarHBondContact NE2-O 2.87Å; Q174-P220 PolarHBondContact NE2-O 3.24Å; Q174-R225 WeakPolarHBondContact CG-O 3.39Å; Q174-D226 PolarHBondContact N-OD1 3.08Å; Q174-D226 PolarHBondContact N-OD2 3.34Å; Q174-D226 VanDerWaalsContact N-OD2 3.15Å
175	L	78.4	Confident	81.9	Confident	19 Å²	19	35.6 Å²	35.6	10%	0.099	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.3	-179.9	-62.2	173.6	0	0	0	113.6	L172 D226 V242 F247	L172-L175 HydrophobicContact CB-CB 4.21Å; L175-D226 WeakPolarHBondContact CB-OD2 3.49Å; L175-D226 HydrophobicContact CD1-CB 4.42Å; L175-D226 VanDerWaalsContact CG-OD2 3.23Å; L175-D226 WeakPolarHBondContact CG-OD2 3.45Å; L175-D226 PolarHBondContact N-OD2 3.15Å; L175-V242 HydrophobicContact CD1-CB 4.37Å; L175-V242 HydrophobicContact CD1-CG1 3.87Å; L175-F247 HydrophobicContact CD1-CD2 4.39Å; L175-F247 HydrophobicContact CD1-CE2 3.96Å
176	K	78.7	Confident	82.9	Confident	116 Å²	116	28.9 Å²	28.9	50%	0.504	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	51.3	176.7	-60.9	177.3	-176	174	0	112.2	Y171 L172 L173 Y191	Y171-K176 WeakPolarHBondContact OH-CA 3.38Å; Y171-K176 WeakPolarHBondContact OH-CB 3.39Å; L172-K176 WeakPolarHBondContact O-CA 3.32Å; L172-K176 PolarHBondContact O-N 3.11Å; L173-K176 WeakPolarHBondContact O-CG 3.34Å; K176-Y191 HydrophobicContact CB-CE1 4.3Å; K176-Y191 VanDerWaalsContact O-CD1 3.28Å; K176-Y191 WeakPolarHBondContact O-CD1 3.21Å; K176-Y191 VanDerWaalsContact O-CE1 3.31Å; K176-Y191 WeakPolarHBondContact O-CE1 3.38Å
177	R	82.3	Confident	83.2	Confident	13 Å²	13	28.9 Å²	28.9	5%	0.049	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.4	-173.5	-77.2	174.2	177.6	-74.5	-19.9	110.4	Y171 L172 V188 W189 D190	Y171-R177 WeakPolarHBondContact CD2-O 3.46Å; L172-R177 HydrophobicContact CB-CB 4.34Å; L172-R177 WeakPolarHBondContact CB-O 3.23Å; L172-R177 HydrophobicContact CD1-CB 3.99Å; L172-R177 PolarHBondContact N-O 2.04Å; L172-R177 PolarHBondContact O-N 3.4Å; R177-V188 HydrophobicContact CB-CG1 3.87Å; R177-V188 HydrophobicContact CG-CG1 4.4Å; R177-W189 CarbonylContact C-O 3.48Å; R177-W189 VanDerWaalsContact CA-O 3.29Å; R177-W189 WeakPolarHBondContact CA-O 3.26Å; R177-W189 VanDerWaalsContact CB-O 3.27Å; R177-W189 WeakPolarHBondContact CB-O 3.47Å; R177-W189 WeakPolarHBondContact CG-O 3.35Å; R177-D190 IonicContact CZ-OD2 3.87Å; R177-D190 IonicContact NH1-OD2 2.61Å; R177-D190 IonicContact NH2-OD2 2.94Å; R177-D190 PolarHBondContact NH2-OD2 2.7Å
178	I	83.2	Confident	83.4	Confident	8 Å²	8	26.8 Å²	26.8	4%	0.041	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.9	173.3	-59.9	173.6	0	0	0	108	I147 V157 Y171 V188 W189	I147-I178 HydrophobicContact CD1-CD1 4.2Å; I147-I178 HydrophobicContact CD1-CG1 3.93Å; I147-I178 HydrophobicContact CD1-CG2 4.33Å; I147-I178 HydrophobicContact CG1-CD1 4.25Å; I147-I178 HydrophobicContact CG2-CD1 4.48Å; I147-I178 HydrophobicContact CG2-CG2 4.11Å; V157-I178 HydrophobicContact CB-CD1 4.45Å; V157-I178 HydrophobicContact CG2-CD1 4.05Å; Y171-I178 HydrophobicContact CD2-CG1 4.16Å; I178-V188 CarbonylContact O-C 3.56Å; I178-V188 WeakPolarHBondContact O-CA 3.3Å; I178-W189 HydrophobicContact CB-CB 4.39Å; I178-W189 PolarHBondContact N-O 2.93Å; I178-W189 PolarHBondContact O-N 2.89Å
179	V	86.7	Confident	83.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.3	168.8	59.1	0	0	0	0	109.9	C169 D170 L172 I186 I187 V188 V214 V216 I228	C169-V179 CarbonylContact C-O 3.55Å; C169-V179 VanDerWaalsContact CA-O 3.23Å; C169-V179 WeakPolarHBondContact CA-O 3.47Å; D170-V179 HydrophobicContact CB-CG1 3.98Å; D170-V179 PolarHBondContact N-O 2.99Å; D170-V179 WeakPolarHBondContact O-CG1 3.33Å; D170-V179 PolarHBondContact O-N 3.33Å; L172-V179 HydrophobicContact CD1-CB 4.26Å; L172-V179 HydrophobicContact CD2-CG1 4.27Å; L172-V179 HydrophobicContact CG-CB 4.21Å; L172-V179 HydrophobicContact CG-CG1 4.2Å; V179-I186 HydrophobicContact CG2-CG2 3.52Å; V179-I187 WeakPolarHBondContact CA-O 3.41Å; V179-V188 HydrophobicContact CB-CG2 4.45Å; V179-V188 HydrophobicContact CG2-CG2 4.22Å; V179-V214 HydrophobicContact CG1-CG2 4.26Å; V179-V216 HydrophobicContact CG1-CG2 3.84Å; V179-I228 HydrophobicContact CG2-CD1 4.31Å
180	A	85.1	Confident	82.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.8	171.5	0	0	0	0	0	110.5	I155 I166 G168 C169 I187	I155-A180 HydrophobicContact CD1-CB 3.74Å; I166-A180 HydrophobicContact CG2-CB 4.13Å; G168-A180 CarbonylContact O-C 3.54Å; G168-A180 WeakPolarHBondContact O-CA 3.48Å; C169-A180 HydrophobicContact CB-CB 4.38Å; A180-I187 PolarHBondContact N-O 3.07Å; A180-I187 PolarHBondContact O-N 3.31Å
181	T	85.1	Confident	81.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.5	173.1	51.6	0	0	0	0	110.2	I166 T167 G168 L211 V214 L230	I166-T181 CarbonylContact C-O 3.56Å; I166-T181 WeakPolarHBondContact CA-O 3.45Å; I166-T181 WeakPolarHBondContact CG2-O 3.46Å; T167-T181 PolarHBondContact N-O 3.25Å; T167-T181 PolarHBondContact OG1-O 3.39Å; T167-T181 PolarHBondContact OG1-OG1 2.61Å; G168-T181 PolarHBondContact N-OG1 3.5Å; G168-T181 VanDerWaalsContact N-OG1 3.16Å; G168-T181 PolarHBondContact O-N 3.27Å; G168-T181 PolarHBondContact O-OG1 3.02Å; T181-L211 HydrophobicContact CG2-CB 4.26Å; T181-L211 HydrophobicContact CG2-CD1 3.81Å; T181-V214 HydrophobicContact CG2-CB 3.81Å; T181-V214 HydrophobicContact CG2-CG1 4.19Å; T181-V214 HydrophobicContact CG2-CG2 4.33Å; T181-L230 HydrophobicContact CG2-CD2 3.6Å
182	T	82.6	Confident	80.6	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	179.2	161.4	70.9	0	0	0	0	108.9	W165 I166 R184 T185 I187	W165-T182 WeakPolarHBondContact O-CA 3.45Å; W165-T182 WeakPolarHBondContact O-CB 3.44Å; W165-T182 WeakPolarHBondContact O-CG2 3.4Å; I166-T182 HydrophobicContact CG1-CG2 4.08Å; T182-R184 PolarHBondContact O-N 3.03Å; T182-T185 PolarHBondContact N-O 3.44Å; T182-T185 PolarHBondContact OG1-O 2.94Å; T182-T185 PolarHBondContact OG1-OG1 2.91Å; T182-I187 HydrophobicContact CG2-CD1 3.9Å
183	E	78.2	Confident	79.5	Confident	97 Å²	97	39.9 Å²	39.9	45%	0.453	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-36.5	-60.6	-179.8	-62.7	174.4	-178.4	0	0	113.8	C210 L211	E183-C210 CarbonylContact O-C 3.54Å; E183-C210 WeakPolarHBondContact O-CA 3.41Å; E183-L211 PolarHBondContact O-N 3.5Å
184	R	83.4	Confident	78	Confident	126 Å²	126	44.5 Å²	44.5	48%	0.475	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	25.6	-179.3	-66.5	-168.8	177.5	97.3	3.8	114.5	T182 M207	T182-R184 PolarHBondContact O-N 3.03Å; R184-M207 HydrophobicContact CB-CB 4.5Å; R184-M207 WeakPolarHBondContact CD-O 3.4Å; R184-M207 PolarHBondContact O-N 3.03Å; R184-M207 VanDerWaalsContact O-N 3.07Å
185	T	85	Confident	76.4	Confident	26 Å²	26	46 Å²	46	16%	0.16	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.3	177.6	84.5	0	0	0	0	112	T182 V203 I204 K205	T182-T185 PolarHBondContact N-O 3.44Å; T182-T185 PolarHBondContact OG1-O 2.94Å; T182-T185 PolarHBondContact OG1-OG1 2.91Å; T185-V203 HydrophobicContact CG2-CG1 4.38Å; T185-I204 WeakPolarHBondContact CA-O 2.99Å; T185-I204 WeakPolarHBondContact CB-O 3.45Å; T185-K205 HydrophobicContact CG2-CB 3.75Å; T185-K205 HydrophobicContact CG2-CD 4.16Å
186	I	86.4	Confident	74.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.2	168.4	-48.9	159.3	0	0	0	106.9	V179 V188 I204 M207 L211 L230 F240	V179-I186 HydrophobicContact CG2-CG2 3.52Å; I186-V188 HydrophobicContact CG2-CG2 4.45Å; I186-I204 HydrophobicContact CB-CB 4.2Å; I186-I204 HydrophobicContact CB-CD1 4.41Å; I186-I204 PolarHBondContact N-O 3.25Å; I186-I204 PolarHBondContact O-N 2.96Å; I186-M207 HydrophobicContact CD1-CE 4.08Å; I186-M207 HydrophobicContact CD1-SD 3.91Å; I186-M207 HydrophobicContact CG1-CG 4.48Å; I186-M207 HydrophobicContact CG1-SD 4.31Å; I186-L211 HydrophobicContact CG1-CD1 3.72Å; I186-L230 HydrophobicContact CD1-CD1 3.56Å; I186-L230 HydrophobicContact CG1-CD1 4.17Å; I186-F240 HydrophobicContact CD1-CD1 4.29Å; I186-F240 HydrophobicContact CD1-CD2 4.34Å; I186-F240 HydrophobicContact CD1-CE1 4.35Å; I186-F240 HydrophobicContact CD1-CE2 4.41Å; I186-F240 HydrophobicContact CD1-CG 4.28Å; I186-F240 HydrophobicContact CD1-CZ 4.41Å
187	I	85.2	Confident	72.9	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128	-179.5	-41.2	178.7	0	0	0	109.6	V179 A180 T182 W189 Y201 F202 V203	V179-I187 WeakPolarHBondContact CA-O 3.41Å; A180-I187 PolarHBondContact N-O 3.07Å; A180-I187 PolarHBondContact O-N 3.31Å; T182-I187 HydrophobicContact CG2-CD1 3.9Å; I187-W189 HydrophobicContact CG2-CZ2 3.96Å; I187-Y201 HydrophobicContact CG2-CD2 3.77Å; I187-F202 CarbonylContact C-O 3.45Å; I187-F202 WeakPolarHBondContact CA-O 3.36Å; I187-V203 HydrophobicContact CG2-CG2 4.12Å
188	V	84.6	Confident	71.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.3	-176.7	179.9	0	0	0	0	110.6	L172 R177 I178 V179 I186 Y201 F202 I204 F247	L172-V188 HydrophobicContact CD1-CG1 3.62Å; L172-V188 HydrophobicContact CD1-CG2 4.28Å; R177-V188 HydrophobicContact CB-CG1 3.87Å; R177-V188 HydrophobicContact CG-CG1 4.4Å; I178-V188 CarbonylContact O-C 3.56Å; I178-V188 WeakPolarHBondContact O-CA 3.3Å; V179-V188 HydrophobicContact CB-CG2 4.45Å; V179-V188 HydrophobicContact CG2-CG2 4.22Å; I186-V188 HydrophobicContact CG2-CG2 4.45Å; V188-Y201 VanDerWaalsContact O-CA 3.29Å; V188-Y201 WeakPolarHBondContact O-CA 3.16Å; V188-F202 PolarHBondContact N-O 3.08Å; V188-F202 PolarHBondContact O-N 3.44Å; V188-I204 HydrophobicContact CG2-CD1 4.48Å; V188-F247 HydrophobicContact CB-CE1 4.48Å; V188-F247 HydrophobicContact CB-CZ 4Å; V188-F247 HydrophobicContact CG1-CE2 4.1Å; V188-F247 HydrophobicContact CG1-CZ 3.79Å; V188-F247 HydrophobicContact CG2-CZ 4.13Å
189	W	77.9	Confident	69.7	Low	61 Å²	61	56.3 Å²	56.3	23%	0.231	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.5	-168.6	-65.1	85.2	0	0	0	113.1	D162 R177 I178 I187 Y201	D162-W189 WeakPolarHBondContact OD2-CZ2 3.47Å; R177-W189 CarbonylContact C-O 3.48Å; R177-W189 VanDerWaalsContact CA-O 3.29Å; R177-W189 WeakPolarHBondContact CA-O 3.26Å; R177-W189 VanDerWaalsContact CB-O 3.27Å; R177-W189 WeakPolarHBondContact CB-O 3.47Å; R177-W189 WeakPolarHBondContact CG-O 3.35Å; I178-W189 HydrophobicContact CB-CB 4.39Å; I178-W189 PolarHBondContact N-O 2.93Å; I178-W189 PolarHBondContact O-N 2.89Å; I187-W189 HydrophobicContact CG2-CZ2 3.96Å; W189-Y201 HydrophobicContact CD2-CG 4.19Å; W189-Y201 HydrophobicContact CE3-CD1 4.02Å; W189-Y201 AromaticContact CE3-CG 3.91Å; W189-Y201 HydrophobicContact CE3-CG 3.91Å; W189-Y201 AromaticContact CH2-CD1 3.57Å; W189-Y201 HydrophobicContact CH2-CD1 3.57Å; W189-Y201 AromaticContact CH2-CD2 3.92Å; W189-Y201 HydrophobicContact CH2-CD2 3.92Å; W189-Y201 AromaticContact CH2-CE1 3.77Å; W189-Y201 HydrophobicContact CH2-CE1 3.77Å; W189-Y201 HydrophobicContact CH2-CE2 4.1Å; W189-Y201 AromaticContact CH2-CG 3.64Å; W189-Y201 HydrophobicContact CH2-CG 3.64Å; W189-Y201 HydrophobicContact CZ2-CD1 4.35Å; W189-Y201 AromaticContact CZ2-CD2 3.91Å; W189-Y201 HydrophobicContact CZ2-CD2 3.91Å; W189-Y201 HydrophobicContact CZ2-CE2 4.24Å; W189-Y201 AromaticContact CZ2-CG 3.95Å; W189-Y201 HydrophobicContact CZ2-CG 3.95Å; W189-Y201 AromaticContact CZ3-CD1 3.38Å; W189-Y201 HydrophobicContact CZ3-CD1 3.38Å; W189-Y201 HydrophobicContact CZ3-CD2 4.37Å; W189-Y201 AromaticContact CZ3-CE1 3.94Å; W189-Y201 HydrophobicContact CZ3-CE1 3.94Å; W189-Y201 AromaticContact CZ3-CG 3.63Å; W189-Y201 HydrophobicContact CZ3-CG 3.63Å
190	D	74.3	Confident	68.7	Low	48 Å²	48	57.9 Å²	57.9	26%	0.257	31%	0.314	S	S	.	.			trans	-84.4	111.3	166.6	-157.4	-45.9	0	0	0	111.5	R177 K192 N200	R177-D190 IonicContact CZ-OD2 3.87Å; R177-D190 IonicContact NH1-OD2 2.61Å; R177-D190 IonicContact NH2-OD2 2.94Å; R177-D190 PolarHBondContact NH2-OD2 2.7Å; D190-K192 PolarHBondContact O-N 3.25Å; D190-K192 WeakPolarHBondContact OD1-CB 3.4Å; D190-K192 PolarHBondContact OD1-N 3.28Å; D190-N200 HydrophobicContact CB-CB 4.28Å; D190-N200 PolarHBondContact N-O 3.18Å
191	Y	68.8	Low	68.1	Low	40 Å²	40	59.8 Å²	59.8	16%	0.157	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.4	-179.2	83.2	-79.7	0	0	0	114	L143 L145 F158 Y171 K176	L143-Y191 HydrophobicContact CD1-CE2 4.33Å; L145-Y191 HydrophobicContact CD1-CD2 4.43Å; L145-Y191 HydrophobicContact CD1-CE2 4.23Å; F158-Y191 VanDerWaalsContact CE2-O 3.25Å; F158-Y191 WeakPolarHBondContact CE2-O 3.33Å; F158-Y191 WeakPolarHBondContact CZ-O 3.46Å; Y171-Y191 HydrophobicContact CE2-CD1 4.07Å; Y171-Y191 HydrophobicContact CE2-CE1 4.07Å; Y171-Y191 WeakPolarHBondContact OH-CE1 3.35Å; K176-Y191 HydrophobicContact CB-CE1 4.3Å; K176-Y191 VanDerWaalsContact O-CD1 3.28Å; K176-Y191 WeakPolarHBondContact O-CD1 3.21Å; K176-Y191 VanDerWaalsContact O-CE1 3.31Å; K176-Y191 WeakPolarHBondContact O-CE1 3.38Å
192	K	63.8	Low	67.9	Low	137 Å²	137	60.1 Å²	60.1	60%	0.596	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-6.3	-177.6	-62.6	-173.6	177.6	-176.7	0	114.2	D190 Q194	D190-K192 PolarHBondContact O-N 3.25Å; D190-K192 WeakPolarHBondContact OD1-CB 3.4Å; D190-K192 PolarHBondContact OD1-N 3.28Å; K192-Q194 PolarHBondContact O-N 3.41Å
193	A	60	Low	67.9	Low	29 Å²	29	60.9 Å²	60.9	24%	0.24	33%	0.328	C	S	.	.			trans	-75.3	32.3	-176.1	0	0	0	0	0	114.5	G195	A193-G195 PolarHBondContact O-N 3Å; A193-G195 VanDerWaalsContact O-N 3.12Å
194	Q	48	Very low	68.2	Low	149 Å²	149	56.3 Å²	56.3	70%	0.696	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	108.1	-171.2	-171.2	149.9	45.5	0	0	113	F158 K192	F158-Q194 HydrophobicContact CE1-CB 3.59Å; F158-Q194 VanDerWaalsContact CE1-CD 3.48Å; F158-Q194 HydrophobicContact CE1-CG 3.6Å; F158-Q194 HydrophobicContact CZ-CB 3.89Å; F158-Q194 HydrophobicContact CZ-CG 4.2Å; K192-Q194 PolarHBondContact O-N 3.41Å
195	G	46.8	Very low	68.2	Low	85 Å²	85	54.8 Å²	54.8	88%	0.876	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	4.1	163.7	0	0	0	0	0	116.8	A193	A193-G195 PolarHBondContact O-N 3Å; A193-G195 VanDerWaalsContact O-N 3.12Å
196	S	39.2	Very low	68	Low	75 Å²	75	57.1 Å²	57.1	52%	0.524	32%	0.319	S	S	.	.	S	Bend	trans	-96.7	148.8	166.5	54.1	0	0	0	0	111.1	Q198	S196-Q198 PolarHBondContact O-N 3.37Å
197	S	44.7	Very low	67.9	Low	130 Å²	130	58.2 Å²	58.2	91%	0.909	32%	0.324	S	S	*	.	S	Bend	trans	-76.3	40.4	178.4	54.6	0	0	0	0	113.7
198	Q	45.8	Very low	67.7	Low	81 Å²	81	63.2 Å²	63.2	38%	0.379	35%	0.351	S	S	.	.			trans	-138.7	82.7	174.5	-71	-175.1	-7.7	0	0	107.9	S196 N200	S196-Q198 PolarHBondContact O-N 3.37Å; Q198-N200 PolarHBondContact O-N 2.81Å; Q198-N200 PolarHBondContact O-ND2 3.42Å
199	E	52.6	Low	67.7	Low	86 Å²	86	66 Å²	66	40%	0.402	36%	0.364	S	S	.	.			trans	-60.2	132.9	165.9	-62.2	176.3	145.1	0	0	108	N160 Y201 N260	N160-E199 PolarHBondContact ND2-OE1 2.88Å; E199-Y201 HydrophobicContact CB-CD1 4.27Å; E199-Y201 HydrophobicContact CB-CE1 4.35Å; E199-N260 PolarHBondContact O-OD1 2.91Å
200	N	64.3	Low	68.1	Low	33 Å²	33	64.4 Å²	64.4	18%	0.176	36%	0.362	C	S	.	.			trans	-125.5	83.5	-173.4	-78.5	-47	0	0	0	110	D190 Q198 L258	D190-N200 HydrophobicContact CB-CB 4.28Å; D190-N200 PolarHBondContact N-O 3.18Å; Q198-N200 PolarHBondContact O-N 2.81Å; Q198-N200 PolarHBondContact O-ND2 3.42Å; N200-L258 WeakPolarHBondContact OD1-CB 3.4Å
201	Y	74	Confident	68.8	Low	39 Å²	39	62.2 Å²	62.2	15%	0.153	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.6	176.1	69.4	-82.2	0	0	0	112.7	I187 V188 W189 E199 V203 N260 Q261	I187-Y201 HydrophobicContact CG2-CD2 3.77Å; V188-Y201 VanDerWaalsContact O-CA 3.29Å; V188-Y201 WeakPolarHBondContact O-CA 3.16Å; W189-Y201 HydrophobicContact CD2-CG 4.19Å; W189-Y201 HydrophobicContact CE3-CD1 4.02Å; W189-Y201 AromaticContact CE3-CG 3.91Å; W189-Y201 HydrophobicContact CE3-CG 3.91Å; W189-Y201 AromaticContact CH2-CD1 3.57Å; W189-Y201 HydrophobicContact CH2-CD1 3.57Å; W189-Y201 AromaticContact CH2-CD2 3.92Å; W189-Y201 HydrophobicContact CH2-CD2 3.92Å; W189-Y201 AromaticContact CH2-CE1 3.77Å; W189-Y201 HydrophobicContact CH2-CE1 3.77Å; W189-Y201 HydrophobicContact CH2-CE2 4.1Å; W189-Y201 AromaticContact CH2-CG 3.64Å; W189-Y201 HydrophobicContact CH2-CG 3.64Å; W189-Y201 HydrophobicContact CZ2-CD1 4.35Å; W189-Y201 AromaticContact CZ2-CD2 3.91Å; W189-Y201 HydrophobicContact CZ2-CD2 3.91Å; W189-Y201 HydrophobicContact CZ2-CE2 4.24Å; W189-Y201 AromaticContact CZ2-CG 3.95Å; W189-Y201 HydrophobicContact CZ2-CG 3.95Å; W189-Y201 AromaticContact CZ3-CD1 3.38Å; W189-Y201 HydrophobicContact CZ3-CD1 3.38Å; W189-Y201 HydrophobicContact CZ3-CD2 4.37Å; W189-Y201 AromaticContact CZ3-CE1 3.94Å; W189-Y201 HydrophobicContact CZ3-CE1 3.94Å; W189-Y201 AromaticContact CZ3-CG 3.63Å; W189-Y201 HydrophobicContact CZ3-CG 3.63Å; E199-Y201 HydrophobicContact CB-CD1 4.27Å; E199-Y201 HydrophobicContact CB-CE1 4.35Å; Y201-V203 HydrophobicContact CD2-CG2 3.79Å; Y201-V203 HydrophobicContact CE2-CG2 3.7Å; Y201-N260 HydrophobicContact CE1-CB 4.32Å; Y201-N260 VanDerWaalsContact CE1-CG 3.47Å; Y201-N260 WeakPolarHBondContact CE1-ND2 3.39Å; Y201-N260 PolarHBondContact OH-ND2 2.77Å; Y201-Q261 PolarHBondContact O-N 3.38Å
202	F	80.3	Confident	69.7	Low	7 Å²	7	62.7 Å²	62.7	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133	179.5	-60.1	-85.9	0	0	0	109.2	I187 V188 F247 Q261 L263	I187-F202 CarbonylContact C-O 3.45Å; I187-F202 WeakPolarHBondContact CA-O 3.36Å; V188-F202 PolarHBondContact N-O 3.08Å; V188-F202 PolarHBondContact O-N 3.44Å; F202-F247 HydrophobicContact CB-CD1 4.02Å; F202-F247 HydrophobicContact CB-CE1 3.68Å; F202-F247 AromaticContact CD1-CD1 3.63Å; F202-F247 HydrophobicContact CD1-CD1 3.63Å; F202-F247 HydrophobicContact CD1-CE1 4.19Å; F202-F247 HydrophobicContact CD2-CB 4.5Å; F202-F247 AromaticContact CD2-CD1 3.42Å; F202-F247 HydrophobicContact CD2-CD1 3.42Å; F202-F247 VanDerWaalsContact CD2-CD1 3.42Å; F202-F247 AromaticContact CD2-CE1 3.72Å; F202-F247 HydrophobicContact CD2-CE1 3.72Å; F202-F247 HydrophobicContact CD2-CG 4.01Å; F202-F247 HydrophobicContact CE1-CB 4.19Å; F202-F247 AromaticContact CE1-CD1 3.85Å; F202-F247 HydrophobicContact CE1-CD1 3.85Å; F202-F247 HydrophobicContact CE1-CG 4.44Å; F202-F247 HydrophobicContact CE2-CB 3.85Å; F202-F247 AromaticContact CE2-CD1 3.66Å; F202-F247 HydrophobicContact CE2-CD1 3.66Å; F202-F247 HydrophobicContact CE2-CE1 4.39Å; F202-F247 AromaticContact CE2-CG 3.84Å; F202-F247 HydrophobicContact CE2-CG 3.84Å; F202-F247 AromaticContact CG-CD1 3.4Å; F202-F247 HydrophobicContact CG-CD1 3.4Å; F202-F247 VanDerWaalsContact CG-CD1 3.4Å; F202-F247 AromaticContact CG-CE1 3.6Å; F202-F247 HydrophobicContact CG-CE1 3.6Å; F202-F247 HydrophobicContact CG-CG 4.39Å; F202-F247 HydrophobicContact CZ-CB 3.68Å; F202-F247 AromaticContact CZ-CD1 3.87Å; F202-F247 HydrophobicContact CZ-CD1 3.87Å; F202-F247 HydrophobicContact CZ-CG 4.07Å; F202-Q261 WeakPolarHBondContact CA-O 3.38Å; F202-Q261 HydrophobicContact CD1-CB 3.74Å; F202-Q261 HydrophobicContact CE1-CB 4.03Å; F202-L263 HydrophobicContact CB-CD1 4.29Å; F202-L263 HydrophobicContact CD1-CD1 3.96Å; F202-L263 HydrophobicContact CG-CD1 4.47Å
203	V	82.3	Confident	70.8	Confident	23 Å²	23	56.7 Å²	56.7	14%	0.139	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.8	177.5	-178.3	0	0	0	0	109.1	T185 I187 Y201 K205 Q261 V262 L263	T185-V203 HydrophobicContact CG2-CG1 4.38Å; I187-V203 HydrophobicContact CG2-CG2 4.12Å; Y201-V203 HydrophobicContact CD2-CG2 3.79Å; Y201-V203 HydrophobicContact CE2-CG2 3.7Å; V203-K205 HydrophobicContact CG1-CD 4.09Å; V203-K205 HydrophobicContact CG1-CG 4.29Å; V203-Q261 PolarHBondContact N-O 3.33Å; V203-V262 HydrophobicContact CB-CG2 4.45Å; V203-V262 CarbonylContact O-C 3.59Å; V203-V262 WeakPolarHBondContact O-CA 3.43Å; V203-L263 PolarHBondContact O-N 2.75Å
204	I	84.6	Confident	72.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.8	177.7	-55.9	165.2	0	0	0	108.2	T185 I186 V188 F240 L263 F268	T185-I204 WeakPolarHBondContact CA-O 2.99Å; T185-I204 WeakPolarHBondContact CB-O 3.45Å; I186-I204 HydrophobicContact CB-CB 4.2Å; I186-I204 HydrophobicContact CB-CD1 4.41Å; I186-I204 PolarHBondContact N-O 3.25Å; I186-I204 PolarHBondContact O-N 2.96Å; V188-I204 HydrophobicContact CG2-CD1 4.48Å; I204-F240 HydrophobicContact CD1-CE1 4.01Å; I204-F240 HydrophobicContact CG2-CE1 4.13Å; I204-F240 HydrophobicContact CG2-CZ 3.71Å; I204-L263 WeakPolarHBondContact CA-O 3.26Å; I204-L263 HydrophobicContact CG1-CB 4.47Å; I204-F268 HydrophobicContact CD1-CE1 4.25Å; I204-F268 HydrophobicContact CD1-CE2 4.06Å; I204-F268 HydrophobicContact CD1-CZ 3.77Å; I204-F268 HydrophobicContact CG1-CE2 3.89Å; I204-F268 HydrophobicContact CG1-CZ 3.88Å; I204-F268 HydrophobicContact CG2-CD2 4.17Å; I204-F268 HydrophobicContact CG2-CE2 3.88Å
205	K	82.9	Confident	74.4	Confident	94 Å²	94	48.8 Å²	48.8	41%	0.409	29%	0.29	S	S	.	.			trans	-160.1	156.1	-177.9	63.7	176.8	-179.9	177	0	112	T185 V203 V262 L263	T185-K205 HydrophobicContact CG2-CB 3.75Å; T185-K205 HydrophobicContact CG2-CD 4.16Å; V203-K205 HydrophobicContact CG1-CD 4.09Å; V203-K205 HydrophobicContact CG1-CG 4.29Å; K205-V262 HydrophobicContact CD-CG1 4.29Å; K205-V262 VanDerWaalsContact CE-CG1 3.4Å; K205-V262 HydrophobicContact CG-CG1 3.95Å; K205-L263 PolarHBondContact N-O 3.18Å
206	P	81.8	Confident	76.5	Confident	76 Å²	76	45.1 Å²	45.1	49%	0.494	25%	0.251	S	S	.	.			cis	-85.7	156.9	-2.4	35.3	-34.6	0	0	0	112.9	S265	P206-S265 VanDerWaalsContact O-CB 3.27Å; P206-S265 WeakPolarHBondContact O-CB 3.42Å; P206-S265 PolarHBondContact O-OG 3.15Å
207	M	84.6	Confident	78.7	Confident	22 Å²	22	41.6 Å²	41.6	11%	0.108	23%	0.226	C	C	.	.			trans	-100.3	143.3	163.6	-57.3	-60.1	-66.2	0	0	109.6	R184 I186 L211 L230 F240	R184-M207 HydrophobicContact CB-CB 4.5Å; R184-M207 WeakPolarHBondContact CD-O 3.4Å; R184-M207 PolarHBondContact O-N 3.03Å; R184-M207 VanDerWaalsContact O-N 3.07Å; I186-M207 HydrophobicContact CD1-CE 4.08Å; I186-M207 HydrophobicContact CD1-SD 3.91Å; I186-M207 HydrophobicContact CG1-CG 4.48Å; I186-M207 HydrophobicContact CG1-SD 4.31Å; M207-L211 HydrophobicContact CB-CG 4.45Å; M207-L211 HydrophobicContact CE-CD1 4.39Å; M207-L211 HydrophobicContact CE-CD2 4.29Å; M207-L211 HydrophobicContact CG-CD1 3.99Å; M207-L211 HydrophobicContact CG-CG 4.37Å; M207-L230 HydrophobicContact CE-CD1 4.15Å; M207-F240 HydrophobicContact CE-CE2 4.47Å
208	D	80.7	Confident	80.2	Confident	113 Å²	113	37.5 Å²	37.5	60%	0.604	20%	0.196	S	C	*	.	S	Bend	trans	-64.7	-45.3	-176	-58.8	-29.4	0	0	0	112.4	K272	D208-K272 IonicContact OD2-NZ 2.64Å; D208-K272 PolarHBondContact OD2-NZ 2.96Å
209	H	84.9	Confident	81.4	Confident	58 Å²	58	35.3 Å²	35.3	27%	0.269	19%	0.187	S	C	.	.	S	Bend	trans	-112.6	165.8	-174.8	-69.8	-68.7	0	0	0	111.4	L211 D232 D233 F236	H209-L211 PolarHBondContact O-N 2.9Å; H209-D232 HydrophobicContact CB-CB 3.68Å; H209-D232 WeakPolarHBondContact CB-OD2 3.45Å; H209-D232 IonicContact CD2-OD2 3.81Å; H209-D232 IonicContact CG-OD2 3.99Å; H209-D233 WeakPolarHBondContact CB-OD1 3.44Å; H209-D233 IonicContact CG-OD1 2.71Å; H209-D233 IonicContact ND1-OD1 3.48Å; H209-F236 AromaticContact CD2-CD2 3.99Å; H209-F236 AromaticContact NE2-CD2 3.99Å; H209-F236 AromaticContact NE2-CE2 3.6Å
210	C	86.3	Confident	81.9	Confident	28 Å²	28	35.8 Å²	35.8	19%	0.189	20%	0.197	C	C	.	.			trans	-82	115.8	-178.3	-52	0	0	0	0	110.5	E183 L212 D232 D233	E183-C210 CarbonylContact O-C 3.54Å; E183-C210 WeakPolarHBondContact O-CA 3.41Å; C210-L212 PolarHBondContact O-N 3.04Å; C210-D232 VanDerWaalsContact O-CA 3.22Å; C210-D232 WeakPolarHBondContact O-CA 3.31Å; C210-D232 WeakPolarHBondContact O-CB 3.43Å; C210-D233 HydrophobicContact CB-CB 4.17Å; C210-D233 VanDerWaalsContact CB-CG 3.5Å; C210-D233 VanDerWaalsContact CB-OD2 3.32Å; C210-D233 WeakPolarHBondContact CB-OD2 3.49Å; C210-D233 PolarHBondContact N-OD1 3.22Å; C210-D233 PolarHBondContact O-N 3.07Å; C210-D233 VanDerWaalsContact O-N 3.08Å; C210-D233 PolarHBondContact SG-OD2 3.35Å
211	L	88.7	Confident	81.7	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.3	-176.1	-57.4	-173.3	0	0	0	111.3	T167 T181 E183 I186 M207 H209 L230 D232	T167-L211 VanDerWaalsContact CB-O 3.28Å; T167-L211 WeakPolarHBondContact CB-O 3.33Å; T167-L211 VanDerWaalsContact CG2-O 3.28Å; T167-L211 WeakPolarHBondContact CG2-O 3.03Å; T167-L211 PolarHBondContact OG1-O 3.09Å; T181-L211 HydrophobicContact CG2-CB 4.26Å; T181-L211 HydrophobicContact CG2-CD1 3.81Å; E183-L211 PolarHBondContact O-N 3.5Å; I186-L211 HydrophobicContact CG1-CD1 3.72Å; M207-L211 HydrophobicContact CB-CG 4.45Å; M207-L211 HydrophobicContact CE-CD1 4.39Å; M207-L211 HydrophobicContact CE-CD2 4.29Å; M207-L211 HydrophobicContact CG-CD1 3.99Å; M207-L211 HydrophobicContact CG-CG 4.37Å; H209-L211 PolarHBondContact O-N 2.9Å; L211-L230 HydrophobicContact CD1-CD1 4.16Å; L211-L230 HydrophobicContact CD1-CD2 4.38Å; L211-L230 HydrophobicContact CD2-CB 4.25Å; L211-D232 HydrophobicContact CD2-CB 4.37Å
212	L	86.9	Confident	81.3	Confident	50 Å²	50	43 Å²	43	26%	0.262	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-38.2	-177.6	-60.4	179.5	0	0	0	112.8	T167 C210 G231 D233 W279	T167-L212 WeakPolarHBondContact CB-O 3.49Å; C210-L212 PolarHBondContact O-N 3.04Å; L212-G231 PolarHBondContact N-O 2.84Å; L212-D233 HydrophobicContact CD1-CB 4.47Å; L212-W279 HydrophobicContact CD1-CB 3.69Å; L212-W279 HydrophobicContact CD1-CD2 4.4Å; L212-W279 HydrophobicContact CD1-CG 4.04Å
213	C	88.1	Confident	80.5	Confident	12 Å²	12	49.8 Å²	49.8	8%	0.081	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	158.8	-177	62.9	0	0	0	0	113.3	L230 G231 V280	C213-L230 WeakPolarHBondContact O-CA 3.41Å; C213-G231 PolarHBondContact N-O 2.84Å; C213-G231 PolarHBondContact O-N 3.01Å; C213-V280 PolarHBondContact SG-O 3.1Å; C213-V280 VanDerWaalsContact SG-O 3.35Å
214	V	92.3	Very high	79.8	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.2	-178.7	57.7	0	0	0	0	111.5	V179 T181 I228 L229 L230 R284	V179-V214 HydrophobicContact CG1-CG2 4.26Å; T181-V214 HydrophobicContact CG2-CB 3.81Å; T181-V214 HydrophobicContact CG2-CG1 4.19Å; T181-V214 HydrophobicContact CG2-CG2 4.33Å; V214-I228 HydrophobicContact CG2-CG2 3.69Å; V214-L229 CarbonylContact C-O 3.48Å; V214-L229 WeakPolarHBondContact CA-O 3.46Å; V214-L230 HydrophobicContact CB-CD2 3.95Å; V214-L230 HydrophobicContact CG2-CD2 3.74Å; V214-R284 PolarHBondContact O-NH1 2.89Å
215	C	90.8	Very high	79.6	Confident	8 Å²	8	54 Å²	54	5%	0.054	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	136.8	167.3	-171.2	0	0	0	0	111	D170 L229 I283 Y285	D170-C215 VanDerWaalsContact OD2-CA 3.25Å; D170-C215 WeakPolarHBondContact OD2-CA 3.21Å; C215-L229 PolarHBondContact N-O 2.81Å; C215-L229 PolarHBondContact O-N 3.28Å; C215-I283 HydrophobicContact CB-CG2 4.16Å; C215-Y285 PolarHBondContact SG-N 2.88Å; C215-Y285 VanDerWaalsContact SG-N 3.42Å
216	V	90.3	Very high	79.7	Confident	8 Å²	8	49.5 Å²	49.5	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.7	174.2	174.5	0	0	0	0	110.8	D170 L172 V179 P218 D226	D170-V216 HydrophobicContact CB-CG2 4.02Å; D170-V216 PolarHBondContact OD2-N 2.88Å; L172-V216 HydrophobicContact CD2-CG1 4.25Å; L172-V216 HydrophobicContact CD2-CG2 3.66Å; L172-V216 HydrophobicContact CG-CG2 4.39Å; V179-V216 HydrophobicContact CG1-CG2 3.84Å; V216-P218 WeakPolarHBondContact O-CD 3.42Å; V216-D226 HydrophobicContact CG1-CB 4.46Å
217	V	86.9	Confident	80	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.5	175.1	-176.7	0	0	0	0	110	L219 D227 L229 Y285 L308	V217-L219 HydrophobicContact CG1-CD1 4.5Å; V217-L219 HydrophobicContact CG1-CD2 3.76Å; V217-L219 HydrophobicContact CG1-CG 3.8Å; V217-L219 PolarHBondContact O-N 2.75Å; V217-D227 HydrophobicContact CB-CB 4.1Å; V217-D227 WeakPolarHBondContact CB-O 3.44Å; V217-D227 HydrophobicContact CG2-CB 4.27Å; V217-D227 PolarHBondContact N-O 3.07Å; V217-L229 HydrophobicContact CG2-CD1 3.79Å; V217-L229 HydrophobicContact CG2-CG 3.82Å; V217-Y285 HydrophobicContact CG1-CD1 4.16Å; V217-Y285 HydrophobicContact CG1-CD2 4.03Å; V217-Y285 HydrophobicContact CG1-CE1 4.02Å; V217-Y285 HydrophobicContact CG1-CE2 3.93Å; V217-Y285 HydrophobicContact CG1-CG 4.13Å; V217-Y285 HydrophobicContact CG2-CD2 4.22Å; V217-Y285 HydrophobicContact CG2-CG 4.36Å; V217-L308 HydrophobicContact CG1-CD1 3.7Å; V217-L308 HydrophobicContact CG2-CD1 4.3Å; V217-L308 HydrophobicContact CG2-CD2 4.17Å
218	P	75.1	Confident	80.3	Confident	45 Å²	45	44.9 Å²	44.9	29%	0.292	25%	0.245	S	C	.	.			trans	-70.1	94.6	171	28.8	-35.4	0	0	0	111.4	L173 V216 P220 Y285 S287	L173-P218 HydrophobicContact CD1-CB 3.61Å; V216-P218 WeakPolarHBondContact O-CD 3.42Å; P218-P220 WeakPolarHBondContact O-CD 3.35Å; P218-Y285 HydrophobicContact CG-CD1 3.98Å; P218-Y285 HydrophobicContact CG-CE1 4.14Å; P218-S287 VanDerWaalsContact CG-OG 3.3Å; P218-S287 WeakPolarHBondContact CG-OG 3.45Å
219	L	72.2	Confident	80.9	Confident	34 Å²	34	39.5 Å²	39.5	18%	0.178	22%	0.216	C	C	.	.			trans	-99.1	101.3	169.1	-62.1	179.2	0	0	0	109.4	Q174 V217 H222 D227	Q174-L219 PolarHBondContact NE2-O 2.87Å; V217-L219 HydrophobicContact CG1-CD1 4.5Å; V217-L219 HydrophobicContact CG1-CD2 3.76Å; V217-L219 HydrophobicContact CG1-CG 3.8Å; V217-L219 PolarHBondContact O-N 2.75Å; L219-H222 HydrophobicContact CB-CB 4.5Å; L219-D227 HydrophobicContact CD1-CB 4.21Å
220	P	61.4	Low	81.2	Confident	96 Å²	96	36.8 Å²	36.8	62%	0.623	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-32.9	-177.6	27.4	-33.9	0	0	0	112.6	Q174 P218 H222	Q174-P220 PolarHBondContact NE2-O 3.24Å; P218-P220 WeakPolarHBondContact O-CD 3.35Å; P220-H222 PolarHBondContact O-N 3.12Å; P220-H222 VanDerWaalsContact O-N 3.17Å
221	D	59.8	Low	81.6	Confident	141 Å²	141	35.4 Å²	35.4	75%	0.754	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	1.7	-171.8	-49.6	-44.5	0	0	0	114.2
222	H	66.3	Low	81.7	Confident	84 Å²	84	35.4 Å²	35.4	39%	0.389	19%	0.194	S	C	.	.			trans	-126.5	81.6	-173.4	-70.3	-10	0	0	0	111.4	L219 P220 C224 R225	L219-H222 HydrophobicContact CB-CB 4.5Å; P220-H222 PolarHBondContact O-N 3.12Å; P220-H222 VanDerWaalsContact O-N 3.17Å; H222-C224 PolarHBondContact O-N 2.85Å; H222-R225 HydrophobicContact CB-CB 4.44Å; H222-R225 PolarHBondContact CD2-NH1 2.76Å; H222-R225 VanDerWaalsContact CD2-NH1 3.3Å; H222-R225 PolarHBondContact O-N 2.93Å
223	L	63.5	Low	81.9	Confident	148 Å²	148	35.6 Å²	35.6	78%	0.775	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	134.2	173.6	-66.2	174.7	0	0	0	111.4	R225	L223-R225 VanDerWaalsContact C-N 3.29Å; L223-R225 PolarHBondContact O-N 3.07Å
224	C	68.6	Low	82	Confident	54 Å²	54	35.6 Å²	35.6	37%	0.365	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	20.6	177.4	-57.8	0	0	0	0	116.5	H222 N243 S244	H222-C224 PolarHBondContact O-N 2.85Å; C224-N243 CarbonylContact O-C 3.55Å; C224-N243 WeakPolarHBondContact O-CA 3.38Å; C224-S244 PolarHBondContact O-N 2.61Å
225	R	80.6	Confident	81.9	Confident	57 Å²	57	35.4 Å²	35.4	22%	0.215	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.7	169.8	170.4	-179.4	159	-150.2	-5.2	110.6	Q174 H222 L223 D227 T241 V242 N243	Q174-R225 WeakPolarHBondContact CG-O 3.39Å; H222-R225 HydrophobicContact CB-CB 4.44Å; H222-R225 PolarHBondContact CD2-NH1 2.76Å; H222-R225 VanDerWaalsContact CD2-NH1 3.3Å; H222-R225 PolarHBondContact O-N 2.93Å; L223-R225 VanDerWaalsContact C-N 3.29Å; L223-R225 PolarHBondContact O-N 3.07Å; R225-D227 IonicContact CZ-OD1 3.81Å; R225-D227 VanDerWaalsContact CZ-OD1 3.29Å; R225-D227 IonicContact CZ-OD2 2.75Å; R225-D227 IonicContact NE-OD1 3.17Å; R225-D227 PolarHBondContact NE-OD1 2.88Å; R225-D227 IonicContact NH2-OD1 3.15Å; R225-D227 PolarHBondContact NH2-OD1 2.93Å; R225-D227 IonicContact NH2-OD2 3.35Å; R225-D227 PolarHBondContact NH2-OD2 3.02Å; R225-T241 HydrophobicContact CG-CG2 4.06Å; R225-V242 WeakPolarHBondContact CA-O 3.31Å; R225-N243 WeakPolarHBondContact CG-OD1 3.37Å
226	D	84.1	Confident	82	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.7	167.7	-68.9	-72.9	0	0	0	108.7	L172 L173 Q174 L175 V216 V242	L172-D226 HydrophobicContact CB-CB 4.4Å; L172-D226 HydrophobicContact CD2-CB 3.75Å; L173-D226 PolarHBondContact N-OD1 2.83Å; Q174-D226 PolarHBondContact N-OD1 3.08Å; Q174-D226 PolarHBondContact N-OD2 3.34Å; Q174-D226 VanDerWaalsContact N-OD2 3.15Å; L175-D226 WeakPolarHBondContact CB-OD2 3.49Å; L175-D226 HydrophobicContact CD1-CB 4.42Å; L175-D226 VanDerWaalsContact CG-OD2 3.23Å; L175-D226 WeakPolarHBondContact CG-OD2 3.45Å; L175-D226 PolarHBondContact N-OD2 3.15Å; V216-D226 HydrophobicContact CG1-CB 4.46Å; D226-V242 PolarHBondContact N-O 2.88Å; D226-V242 PolarHBondContact O-N 2.92Å
227	D	88.4	Confident	82.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.1	170.2	-86.7	13.4	0	0	0	108.8	V217 L219 R225 R239 T241	V217-D227 HydrophobicContact CB-CB 4.1Å; V217-D227 WeakPolarHBondContact CB-O 3.44Å; V217-D227 HydrophobicContact CG2-CB 4.27Å; V217-D227 PolarHBondContact N-O 3.07Å; L219-D227 HydrophobicContact CD1-CB 4.21Å; R225-D227 IonicContact CZ-OD1 3.81Å; R225-D227 VanDerWaalsContact CZ-OD1 3.29Å; R225-D227 IonicContact CZ-OD2 2.75Å; R225-D227 IonicContact NE-OD1 3.17Å; R225-D227 PolarHBondContact NE-OD1 2.88Å; R225-D227 IonicContact NH2-OD1 3.15Å; R225-D227 PolarHBondContact NH2-OD1 2.93Å; R225-D227 IonicContact NH2-OD2 3.35Å; R225-D227 PolarHBondContact NH2-OD2 3.02Å; D227-R239 HydrophobicContact CB-CG 4.44Å; D227-R239 WeakPolarHBondContact OD2-CD 3.29Å; D227-R239 IonicContact OD2-CZ 2.7Å; D227-R239 IonicContact OD2-NE 2.81Å; D227-R239 IonicContact OD2-NH1 3.84Å; D227-R239 PolarHBondContact OD2-NH1 2.98Å; D227-T241 WeakPolarHBondContact OD1-CB 3.2Å; D227-T241 WeakPolarHBondContact OD1-CG2 3.42Å; D227-T241 PolarHBondContact OD1-OG1 3.44Å
228	I	91.1	Very high	82.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.3	-177.8	-48.8	174.2	0	0	0	108.8	L172 V179 V214 L230 R239 F240 V242	L172-I228 HydrophobicContact CD2-CD1 3.78Å; L172-I228 HydrophobicContact CD2-CG1 3.74Å; V179-I228 HydrophobicContact CG2-CD1 4.31Å; V214-I228 HydrophobicContact CG2-CG2 3.69Å; I228-L230 HydrophobicContact CG2-CD2 3.84Å; I228-L230 HydrophobicContact CG2-CG 4.23Å; I228-R239 CarbonylContact O-C 3.6Å; I228-R239 VanDerWaalsContact O-CA 3.31Å; I228-R239 WeakPolarHBondContact O-CA 3.37Å; I228-F240 HydrophobicContact CB-CB 4.38Å; I228-F240 PolarHBondContact N-O 3.13Å; I228-F240 PolarHBondContact O-N 2.93Å; I228-V242 HydrophobicContact CD1-CG2 3.68Å; I228-V242 HydrophobicContact CG1-CG2 4.34Å
229	L	92.6	Very high	83	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.9	169.9	-65.1	169.8	0	0	0	110.2	V214 C215 V217 V237 R239 I283 F292 L308 L311	V214-L229 CarbonylContact C-O 3.48Å; V214-L229 WeakPolarHBondContact CA-O 3.46Å; C215-L229 PolarHBondContact N-O 2.81Å; C215-L229 PolarHBondContact O-N 3.28Å; V217-L229 HydrophobicContact CG2-CD1 3.79Å; V217-L229 HydrophobicContact CG2-CG 3.82Å; L229-V237 HydrophobicContact CD2-CG1 4.38Å; L229-R239 HydrophobicContact CD2-CB 3.81Å; L229-R239 HydrophobicContact CD2-CG 3.98Å; L229-I283 HydrophobicContact CB-CG2 3.92Å; L229-I283 HydrophobicContact CD1-CG2 4.17Å; L229-F292 HydrophobicContact CD1-CB 3.54Å; L229-F292 HydrophobicContact CD1-CG 4.2Å; L229-L308 HydrophobicContact CD1-CD2 4.04Å; L229-L308 HydrophobicContact CD2-CD2 3.95Å; L229-L308 HydrophobicContact CG-CD2 4.4Å; L229-L311 HydrophobicContact CD2-CD1 4.02Å
230	L	92.3	Very high	83.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.5	-176.5	-51.6	165.2	0	0	0	109.5	T181 I186 M207 L211 C213 V214 I228 V237 N238 F240 I283	T181-L230 HydrophobicContact CG2-CD2 3.6Å; I186-L230 HydrophobicContact CD1-CD1 3.56Å; I186-L230 HydrophobicContact CG1-CD1 4.17Å; M207-L230 HydrophobicContact CE-CD1 4.15Å; L211-L230 HydrophobicContact CD1-CD1 4.16Å; L211-L230 HydrophobicContact CD1-CD2 4.38Å; L211-L230 HydrophobicContact CD2-CB 4.25Å; C213-L230 WeakPolarHBondContact O-CA 3.41Å; V214-L230 HydrophobicContact CB-CD2 3.95Å; V214-L230 HydrophobicContact CG2-CD2 3.74Å; I228-L230 HydrophobicContact CG2-CD2 3.84Å; I228-L230 HydrophobicContact CG2-CG 4.23Å; L230-V237 WeakPolarHBondContact O-CA 3.25Å; L230-N238 HydrophobicContact CB-CB 4.27Å; L230-N238 PolarHBondContact N-O 2.65Å; L230-N238 PolarHBondContact O-N 3.21Å; L230-F240 HydrophobicContact CD1-CB 4.26Å; L230-I283 VanDerWaalsContact C-CD1 3.44Å
231	G	92.9	Very high	85	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.4	173.7	0	0	0	0	0	111	L212 C213	L212-G231 PolarHBondContact N-O 2.84Å; C213-G231 PolarHBondContact N-O 2.84Å; C213-G231 PolarHBondContact O-N 3.01Å
232	D	92.4	Very high	86.2	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	174.6	-173.4	65.9	36.3	0	0	0	115.6	H209 C210 L211 G234 G235 F236 N238 V280	H209-D232 HydrophobicContact CB-CB 3.68Å; H209-D232 WeakPolarHBondContact CB-OD2 3.45Å; H209-D232 IonicContact CD2-OD2 3.81Å; H209-D232 IonicContact CG-OD2 3.99Å; C210-D232 VanDerWaalsContact O-CA 3.22Å; C210-D232 WeakPolarHBondContact O-CA 3.31Å; C210-D232 WeakPolarHBondContact O-CB 3.43Å; L211-D232 HydrophobicContact CD2-CB 4.37Å; D232-G234 PolarHBondContact O-N 2.94Å; D232-G234 WeakPolarHBondContact OD1-CA 3.41Å; D232-G234 PolarHBondContact OD1-N 2.92Å; D232-G235 PolarHBondContact O-N 2.87Å; D232-G235 PolarHBondContact OD1-N 3.35Å; D232-F236 PolarHBondContact N-O 3.37Å; D232-F236 PolarHBondContact OD1-N 2.79Å; D232-F236 WeakPolarHBondContact OD2-CB 3.18Å; D232-N238 PolarHBondContact OD2-ND2 3.4Å; D232-V280 PolarHBondContact O-N 3.22Å
233	D	91.5	Very high	87.1	Confident	53 Å²	53	22.5 Å²	22.5	28%	0.283	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-8.2	176.6	69.7	-19.4	0	0	0	114.4	H209 C210 L212	H209-D233 WeakPolarHBondContact CB-OD1 3.44Å; H209-D233 IonicContact CG-OD1 2.71Å; H209-D233 IonicContact ND1-OD1 3.48Å; C210-D233 HydrophobicContact CB-CB 4.17Å; C210-D233 VanDerWaalsContact CB-CG 3.5Å; C210-D233 VanDerWaalsContact CB-OD2 3.32Å; C210-D233 WeakPolarHBondContact CB-OD2 3.49Å; C210-D233 PolarHBondContact N-OD1 3.22Å; C210-D233 PolarHBondContact O-N 3.07Å; C210-D233 VanDerWaalsContact O-N 3.08Å; C210-D233 PolarHBondContact SG-OD2 3.35Å; L212-D233 HydrophobicContact CD1-CB 4.47Å
234	G	89.5	Confident	87.7	Confident	13 Å²	13	15.8 Å²	15.8	13%	0.134	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.8	175.8	0	0	0	0	0	114.2	D232 K274	D232-G234 PolarHBondContact O-N 2.94Å; D232-G234 WeakPolarHBondContact OD1-CA 3.41Å; D232-G234 PolarHBondContact OD1-N 2.92Å; G234-K274 WeakPolarHBondContact O-CE 3.15Å; G234-K274 PolarHBondContact O-NZ 2.68Å
235	G	90.6	Very high	87.9	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	83.7	15.6	-172.7	0	0	0	0	0	113.9	D232 L275 H276 D278	D232-G235 PolarHBondContact O-N 2.87Å; D232-G235 PolarHBondContact OD1-N 3.35Å; G235-L275 PolarHBondContact O-N 2.76Å; G235-H276 WeakPolarHBondContact CA-O 3.45Å; G235-H276 PolarHBondContact O-N 2.7Å; G235-D278 VanDerWaalsContact CA-O 3.29Å; G235-D278 WeakPolarHBondContact CA-O 3.43Å
236	F	92.4	Very high	87.7	Confident	47 Å²	47	17 Å²	17	21%	0.206	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	147.3	177.7	-58	-105.8	0	0	0	111.9	H209 D232 R273 K274 V280	H209-F236 AromaticContact CD2-CD2 3.99Å; H209-F236 AromaticContact NE2-CD2 3.99Å; H209-F236 AromaticContact NE2-CE2 3.6Å; D232-F236 PolarHBondContact N-O 3.37Å; D232-F236 PolarHBondContact OD1-N 2.79Å; D232-F236 WeakPolarHBondContact OD2-CB 3.18Å; F236-R273 WeakPolarHBondContact CA-O 3.32Å; F236-K274 HydrophobicContact CD1-CB 3.76Å; F236-K274 HydrophobicContact CE1-CB 3.72Å; F236-K274 HydrophobicContact CE2-CD 4.28Å; F236-K274 HydrophobicContact CG-CB 4.24Å; F236-K274 HydrophobicContact CZ-CB 4.16Å; F236-K274 HydrophobicContact CZ-CD 4.22Å; F236-V280 WeakPolarHBondContact O-CG2 3.45Å
237	V	92.6	Very high	87.2	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.2	162.6	174.4	0	0	0	0	107.9	L229 L230 R273 L275 V280 I283 F292 L311	L229-V237 HydrophobicContact CD2-CG1 4.38Å; L230-V237 WeakPolarHBondContact O-CA 3.25Å; V237-R273 PolarHBondContact N-O 3.5Å; V237-R273 PolarHBondContact O-N 3.5Å; V237-R273 VanDerWaalsContact O-N 3.13Å; V237-L275 HydrophobicContact CB-CD1 3.85Å; V237-L275 HydrophobicContact CG2-CD1 3.75Å; V237-L275 HydrophobicContact CG2-CG 4.44Å; V237-V280 HydrophobicContact CG2-CG1 4.43Å; V237-I283 HydrophobicContact CB-CD1 4.41Å; V237-I283 HydrophobicContact CG1-CD1 3.98Å; V237-I283 HydrophobicContact CG2-CD1 3.85Å; V237-F292 HydrophobicContact CG1-CD2 4.39Å; V237-F292 HydrophobicContact CG1-CE2 4.06Å; V237-L311 HydrophobicContact CB-CD2 4.28Å; V237-L311 HydrophobicContact CG1-CD1 4.34Å; V237-L311 HydrophobicContact CG1-CD2 4.13Å
238	N	90.2	Very high	86	Confident	15 Å²	15	19.1 Å²	19.1	8%	0.08	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.6	-175.7	-49.3	-57.8	0	0	0	108.5	L230 D232 V271 K272	L230-N238 HydrophobicContact CB-CB 4.27Å; L230-N238 PolarHBondContact N-O 2.65Å; L230-N238 PolarHBondContact O-N 3.21Å; D232-N238 PolarHBondContact OD2-ND2 3.4Å; N238-V271 CarbonylContact C-O 3.57Å; N238-V271 WeakPolarHBondContact CA-O 3.32Å; N238-K272 HydrophobicContact CB-CB 4.44Å; N238-K272 WeakPolarHBondContact OD1-CB 3.2Å
239	R	90.1	Very high	84.6	Confident	17 Å²	17	22.7 Å²	22.7	6%	0.064	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.1	168	-173.1	-177.9	59.5	139.1	-9.7	109.7	D227 I228 L229 S270 V271 L311 E312	D227-R239 HydrophobicContact CB-CG 4.44Å; D227-R239 WeakPolarHBondContact OD2-CD 3.29Å; D227-R239 IonicContact OD2-CZ 2.7Å; D227-R239 IonicContact OD2-NE 2.81Å; D227-R239 IonicContact OD2-NH1 3.84Å; D227-R239 PolarHBondContact OD2-NH1 2.98Å; I228-R239 CarbonylContact O-C 3.6Å; I228-R239 VanDerWaalsContact O-CA 3.31Å; I228-R239 WeakPolarHBondContact O-CA 3.37Å; L229-R239 HydrophobicContact CD2-CB 3.81Å; L229-R239 HydrophobicContact CD2-CG 3.98Å; R239-S270 CarbonylContact O-C 3.45Å; R239-S270 VanDerWaalsContact O-CA 3.32Å; R239-S270 WeakPolarHBondContact O-CA 3.49Å; R239-V271 PolarHBondContact N-O 2.75Å; R239-V271 PolarHBondContact O-N 3.24Å; R239-L311 HydrophobicContact CB-CD1 3.93Å; R239-E312 IonicContact NH2-OE1 2.74Å; R239-E312 PolarHBondContact NH2-OE1 2.99Å; R239-E312 IonicContact NH2-OE2 3.28Å
240	F	88.4	Confident	82.5	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	107.2	-174.2	-153.6	-88.8	0	0	0	108.7	I186 I204 M207 I228 L230 V242 F268	I186-F240 HydrophobicContact CD1-CD1 4.29Å; I186-F240 HydrophobicContact CD1-CD2 4.34Å; I186-F240 HydrophobicContact CD1-CE1 4.35Å; I186-F240 HydrophobicContact CD1-CE2 4.41Å; I186-F240 HydrophobicContact CD1-CG 4.28Å; I186-F240 HydrophobicContact CD1-CZ 4.41Å; I204-F240 HydrophobicContact CD1-CE1 4.01Å; I204-F240 HydrophobicContact CG2-CE1 4.13Å; I204-F240 HydrophobicContact CG2-CZ 3.71Å; M207-F240 HydrophobicContact CE-CE2 4.47Å; I228-F240 HydrophobicContact CB-CB 4.38Å; I228-F240 PolarHBondContact N-O 3.13Å; I228-F240 PolarHBondContact O-N 2.93Å; L230-F240 HydrophobicContact CD1-CB 4.26Å; F240-V242 HydrophobicContact CD1-CG2 3.79Å; F240-V242 HydrophobicContact CE1-CG2 4.26Å; F240-F268 HydrophobicContact CD1-CB 4.15Å; F240-F268 HydrophobicContact CD1-CG 4.34Å; F240-F268 HydrophobicContact CE1-CB 3.38Å; F240-F268 AromaticContact CE1-CD1 3.72Å; F240-F268 HydrophobicContact CE1-CD1 3.72Å; F240-F268 AromaticContact CE1-CD2 3.65Å; F240-F268 HydrophobicContact CE1-CD2 3.65Å; F240-F268 HydrophobicContact CE1-CE1 4.37Å; F240-F268 HydrophobicContact CE1-CE2 4.31Å; F240-F268 AromaticContact CE1-CG 3.3Å; F240-F268 HydrophobicContact CE1-CG 3.3Å; F240-F268 HydrophobicContact CE2-CB 4.17Å; F240-F268 HydrophobicContact CZ-CB 3.39Å; F240-F268 HydrophobicContact CZ-CD1 4.4Å; F240-F268 AromaticContact CZ-CD2 3.54Å; F240-F268 HydrophobicContact CZ-CD2 3.54Å; F240-F268 HydrophobicContact CZ-CE2 4.39Å; F240-F268 AromaticContact CZ-CG 3.54Å; F240-F268 HydrophobicContact CZ-CG 3.54Å
241	T	87.3	Confident	80.3	Confident	9 Å²	9	37.1 Å²	37.1	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.2	179.6	-69.9	0	0	0	0	110.5	R225 D227 K269	R225-T241 HydrophobicContact CG-CG2 4.06Å; D227-T241 WeakPolarHBondContact OD1-CB 3.2Å; D227-T241 WeakPolarHBondContact OD1-CG2 3.42Å; D227-T241 PolarHBondContact OD1-OG1 3.44Å; T241-K269 PolarHBondContact N-O 3.43Å
242	V	86	Confident	78	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.3	-178.3	-175.2	0	0	0	0	111	L175 R225 D226 I228 F240 F247 F268	L175-V242 HydrophobicContact CD1-CB 4.37Å; L175-V242 HydrophobicContact CD1-CG1 3.87Å; R225-V242 WeakPolarHBondContact CA-O 3.31Å; D226-V242 PolarHBondContact N-O 2.88Å; D226-V242 PolarHBondContact O-N 2.92Å; I228-V242 HydrophobicContact CD1-CG2 3.68Å; I228-V242 HydrophobicContact CG1-CG2 4.34Å; F240-V242 HydrophobicContact CD1-CG2 3.79Å; F240-V242 HydrophobicContact CE1-CG2 4.26Å; V242-F247 HydrophobicContact CG1-CD2 4.23Å; V242-F247 HydrophobicContact CG1-CE1 4.49Å; V242-F247 HydrophobicContact CG1-CE2 3.29Å; V242-F247 HydrophobicContact CG1-CZ 3.45Å; V242-F247 VanDerWaalsContact CG1-CZ 3.45Å; V242-F268 HydrophobicContact CG1-CE1 4.3Å; V242-F268 HydrophobicContact CG2-CD1 4.3Å; V242-F268 HydrophobicContact CG2-CE1 4.47Å
243	N	83.4	Confident	75.6	Confident	54 Å²	54	50.9 Å²	50.9	29%	0.289	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	166	-179.4	-44.2	-70.9	0	0	0	112	C224 R225 D245 D246	C224-N243 CarbonylContact O-C 3.55Å; C224-N243 WeakPolarHBondContact O-CA 3.38Å; R225-N243 WeakPolarHBondContact CG-OD1 3.37Å; N243-D245 PolarHBondContact O-N 3.35Å; N243-D246 PolarHBondContact N-OD2 3.19Å; N243-D246 PolarHBondContact ND2-OD1 2.8Å; N243-D246 VanDerWaalsContact ND2-OD1 3.16Å; N243-D246 PolarHBondContact ND2-OD2 3.39Å
244	S	77.1	Confident	73.2	Confident	7 Å²	7	52 Å²	52	5%	0.049	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.1	173.4	59	0	0	0	0	114.4	C224 I249 K250	C224-S244 PolarHBondContact O-N 2.61Å; S244-I249 WeakPolarHBondContact O-CB 3.21Å; S244-I249 PolarHBondContact O-N 3.43Å; S244-I249 VanDerWaalsContact O-N 3.13Å; S244-K250 WeakPolarHBondContact OG-CE 3.09Å; S244-K250 PolarHBondContact OG-NZ 3.01Å
245	D	73.7	Confident	71	Confident	83 Å²	83	62 Å²	62	44%	0.444	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-29.3	-166.4	-58.6	-9.4	0	0	0	110.8	N243 F247 G248 K250	N243-D245 PolarHBondContact O-N 3.35Å; D245-F247 PolarHBondContact O-N 3.03Å; D245-G248 WeakPolarHBondContact O-CA 3.36Å; D245-G248 PolarHBondContact O-N 3.36Å; D245-K250 WeakPolarHBondContact OD1-CD 3.23Å; D245-K250 WeakPolarHBondContact OD1-CE 3.31Å; D245-K250 VanDerWaalsContact OD1-CG 3.29Å; D245-K250 WeakPolarHBondContact OD1-CG 3.31Å; D245-K250 IonicContact OD1-NZ 3.68Å; D245-K250 PolarHBondContact OD1-NZ 2.95Å; D245-K250 IonicContact OD2-NZ 2.84Å; D245-K250 PolarHBondContact OD2-NZ 2.58Å
246	D	75.5	Confident	68.8	Low	55 Å²	55	72.1 Å²	72.1	29%	0.294	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.5	167	-40.3	-12.6	0	0	0	111.7	N243 F268	N243-D246 PolarHBondContact N-OD2 3.19Å; N243-D246 PolarHBondContact ND2-OD1 2.8Å; N243-D246 VanDerWaalsContact ND2-OD1 3.16Å; N243-D246 PolarHBondContact ND2-OD2 3.39Å; D246-F268 HydrophobicContact CB-CD1 4.33Å; D246-F268 HydrophobicContact CB-CE1 3.7Å; D246-F268 HydrophobicContact CB-CZ 4.43Å
247	F	73.2	Confident	66.5	Low	5 Å²	5	77.7 Å²	77.7	2%	0.022	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	6.3	174.4	-61.7	-46.5	0	0	0	113.9	L175 V188 F202 V242 D245 I249 L263	L175-F247 HydrophobicContact CD1-CD2 4.39Å; L175-F247 HydrophobicContact CD1-CE2 3.96Å; V188-F247 HydrophobicContact CB-CE1 4.48Å; V188-F247 HydrophobicContact CB-CZ 4Å; V188-F247 HydrophobicContact CG1-CE2 4.1Å; V188-F247 HydrophobicContact CG1-CZ 3.79Å; V188-F247 HydrophobicContact CG2-CZ 4.13Å; F202-F247 HydrophobicContact CB-CD1 4.02Å; F202-F247 HydrophobicContact CB-CE1 3.68Å; F202-F247 AromaticContact CD1-CD1 3.63Å; F202-F247 HydrophobicContact CD1-CD1 3.63Å; F202-F247 HydrophobicContact CD1-CE1 4.19Å; F202-F247 HydrophobicContact CD2-CB 4.5Å; F202-F247 AromaticContact CD2-CD1 3.42Å; F202-F247 HydrophobicContact CD2-CD1 3.42Å; F202-F247 VanDerWaalsContact CD2-CD1 3.42Å; F202-F247 AromaticContact CD2-CE1 3.72Å; F202-F247 HydrophobicContact CD2-CE1 3.72Å; F202-F247 HydrophobicContact CD2-CG 4.01Å; F202-F247 HydrophobicContact CE1-CB 4.19Å; F202-F247 AromaticContact CE1-CD1 3.85Å; F202-F247 HydrophobicContact CE1-CD1 3.85Å; F202-F247 HydrophobicContact CE1-CG 4.44Å; F202-F247 HydrophobicContact CE2-CB 3.85Å; F202-F247 AromaticContact CE2-CD1 3.66Å; F202-F247 HydrophobicContact CE2-CD1 3.66Å; F202-F247 HydrophobicContact CE2-CE1 4.39Å; F202-F247 AromaticContact CE2-CG 3.84Å; F202-F247 HydrophobicContact CE2-CG 3.84Å; F202-F247 AromaticContact CG-CD1 3.4Å; F202-F247 HydrophobicContact CG-CD1 3.4Å; F202-F247 VanDerWaalsContact CG-CD1 3.4Å; F202-F247 AromaticContact CG-CE1 3.6Å; F202-F247 HydrophobicContact CG-CE1 3.6Å; F202-F247 HydrophobicContact CG-CG 4.39Å; F202-F247 HydrophobicContact CZ-CB 3.68Å; F202-F247 AromaticContact CZ-CD1 3.87Å; F202-F247 HydrophobicContact CZ-CD1 3.87Å; F202-F247 HydrophobicContact CZ-CG 4.07Å; V242-F247 HydrophobicContact CG1-CD2 4.23Å; V242-F247 HydrophobicContact CG1-CE1 4.49Å; V242-F247 HydrophobicContact CG1-CE2 3.29Å; V242-F247 HydrophobicContact CG1-CZ 3.45Å; V242-F247 VanDerWaalsContact CG1-CZ 3.45Å; D245-F247 PolarHBondContact O-N 3.03Å; F247-I249 HydrophobicContact CB-CD1 3.82Å; F247-I249 HydrophobicContact CB-CG1 3.83Å; F247-I249 HydrophobicContact CD2-CD1 4.4Å; F247-I249 PolarHBondContact O-N 2.75Å; F247-L263 HydrophobicContact CD1-CD1 4.11Å; F247-L263 HydrophobicContact CE1-CD1 4.13Å
248	G	64.3	Low	64.4	Low	41 Å²	41	81.1 Å²	81.1	42%	0.423	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	8.3	177.2	0	0	0	0	0	116.2	D245 K250 Q251	D245-G248 WeakPolarHBondContact O-CA 3.36Å; D245-G248 PolarHBondContact O-N 3.36Å; G248-K250 VanDerWaalsContact C-N 3.3Å; G248-K250 PolarHBondContact O-N 3.38Å; G248-Q251 PolarHBondContact O-N 3.33Å; G248-Q251 VanDerWaalsContact O-N 3.17Å
249	I	61.3	Low	62.6	Low	74 Å²	74	87.8 Å²	87.8	38%	0.379	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-62.1	-34	-163.5	-62.2	170.9	0	0	0	112.4	S244 F247 Q251	S244-I249 WeakPolarHBondContact O-CB 3.21Å; S244-I249 PolarHBondContact O-N 3.43Å; S244-I249 VanDerWaalsContact O-N 3.13Å; F247-I249 HydrophobicContact CB-CD1 3.82Å; F247-I249 HydrophobicContact CB-CG1 3.83Å; F247-I249 HydrophobicContact CD2-CD1 4.4Å; F247-I249 PolarHBondContact O-N 2.75Å; I249-Q251 PolarHBondContact O-N 2.71Å
250	K	48.8	Very low	61.2	Low	131 Å²	131	90.6 Å²	90.6	57%	0.57	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-76	-13.8	-178.1	-65.7	-173.3	-167.5	129.6	0	115.3	S244 D245 G248	S244-K250 WeakPolarHBondContact OG-CE 3.09Å; S244-K250 PolarHBondContact OG-NZ 3.01Å; D245-K250 WeakPolarHBondContact OD1-CD 3.23Å; D245-K250 WeakPolarHBondContact OD1-CE 3.31Å; D245-K250 VanDerWaalsContact OD1-CG 3.29Å; D245-K250 WeakPolarHBondContact OD1-CG 3.31Å; D245-K250 IonicContact OD1-NZ 3.68Å; D245-K250 PolarHBondContact OD1-NZ 2.95Å; D245-K250 IonicContact OD2-NZ 2.84Å; D245-K250 PolarHBondContact OD2-NZ 2.58Å; G248-K250 VanDerWaalsContact C-N 3.3Å; G248-K250 PolarHBondContact O-N 3.38Å
251	Q	44.8	Very low	60.3	Low	173 Å²	173	94.5 Å²	94.5	81%	0.808	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-93.9	2.7	-175.2	-66.2	-166	2.8	0	0	114.9	G248 I249 K253	G248-Q251 PolarHBondContact O-N 3.33Å; G248-Q251 VanDerWaalsContact O-N 3.17Å; I249-Q251 PolarHBondContact O-N 2.71Å; Q251-K253 PolarHBondContact O-N 3.38Å
252	A	45.9	Very low	59.7	Low	74 Å²	74	98.4 Å²	98.4	61%	0.612	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	45.1	-172.7	0	0	0	0	0	115.9
253	K	41.1	Very low	59.5	Low	216 Å²	216	99.7 Å²	99.7	94%	0.939	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.5	165.2	-83.8	-170.9	175.8	-179.3	0	113.6	Q251	Q251-K253 PolarHBondContact O-N 3.38Å
254	S	41.2	Very low	59.4	Low	76 Å²	76	99.9 Å²	99.9	53%	0.531	50%	0.498	S	S	.	.	S	Bend	trans	-101.6	140.3	169	67.7	0	0	0	0	110.6	R256	S254-R256 PolarHBondContact O-N 3.32Å
255	K	44.3	Very low	59.7	Low	222 Å²	222	100.3 Å²	100.3	97%	0.965	50%	0.501	S	S	*	.			trans	-73	68.2	174.5	-72.8	-176.9	176.4	177.4	0	111.5
256	R	44.4	Very low	60	Low	213 Å²	213	104.4 Å²	104.4	80%	0.804	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-80.4	136.8	157.8	-77.2	-174.6	168.7	-178.6	-3.3	108.5	S254 L258	S254-R256 PolarHBondContact O-N 3.32Å; R256-L258 PolarHBondContact O-N 3.3Å
257	K	43.9	Very low	60.3	Low	165 Å²	165	107.8 Å²	107.8	72%	0.717	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-62.7	126.4	167.4	-65.4	178	178	177.2	0	107.2
258	L	48	Very low	60.8	Low	72 Å²	72	108.2 Å²	108.2	38%	0.377	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-68.4	147.5	156.5	-87.8	70.3	0	0	0	107.7	N200 R256	N200-L258 WeakPolarHBondContact OD1-CB 3.4Å; R256-L258 PolarHBondContact O-N 3.3Å
259	Q	51.6	Low	61.6	Low	154 Å²	154	111.9 Å²	111.9	72%	0.72	54%	0.539	S	S	*	.			trans	-154.6	143.1	-172.5	-171.5	170.8	2	0	0	105.9	Q261	Q259-Q261 PolarHBondContact O-N 3.36Å
260	N	60.3	Low	62.8	Low	76 Å²	76	111.7 Å²	111.7	41%	0.406	54%	0.544	S	S	.	.			trans	-48.6	121.5	-171.5	-54	-1.6	0	0	0	111.4	E199 Y201	E199-N260 PolarHBondContact O-OD1 2.91Å; Y201-N260 HydrophobicContact CE1-CB 4.32Å; Y201-N260 VanDerWaalsContact CE1-CG 3.47Å; Y201-N260 WeakPolarHBondContact CE1-ND2 3.39Å; Y201-N260 PolarHBondContact OH-ND2 2.77Å
261	Q	69.4	Low	64.7	Low	84 Å²	84	106.6 Å²	106.6	39%	0.393	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.2	-175.4	-86.8	172.5	32.2	0	0	111.1	Y201 F202 V203 Q259 L263	Y201-Q261 PolarHBondContact O-N 3.38Å; F202-Q261 WeakPolarHBondContact CA-O 3.38Å; F202-Q261 HydrophobicContact CD1-CB 3.74Å; F202-Q261 HydrophobicContact CE1-CB 4.03Å; V203-Q261 PolarHBondContact N-O 3.33Å; Q259-Q261 PolarHBondContact O-N 3.36Å; Q261-L263 HydrophobicContact CB-CD2 4.39Å
262	V	76.4	Confident	66.8	Low	92 Å²	92	103.2 Å²	103.2	56%	0.558	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.2	165.7	174.9	0	0	0	0	107.8	V203 K205	V203-V262 HydrophobicContact CB-CG2 4.45Å; V203-V262 CarbonylContact O-C 3.59Å; V203-V262 WeakPolarHBondContact O-CA 3.43Å; K205-V262 HydrophobicContact CD-CG1 4.29Å; K205-V262 VanDerWaalsContact CE-CG1 3.4Å; K205-V262 HydrophobicContact CG-CG1 3.95Å
263	L	81.9	Confident	68.9	Low	27 Å²	27	101.2 Å²	101.2	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.9	-178.7	-56.6	176	0	0	0	109.2	F202 V203 I204 K205 F247 Q261 F268	F202-L263 HydrophobicContact CB-CD1 4.29Å; F202-L263 HydrophobicContact CD1-CD1 3.96Å; F202-L263 HydrophobicContact CG-CD1 4.47Å; V203-L263 PolarHBondContact O-N 2.75Å; I204-L263 WeakPolarHBondContact CA-O 3.26Å; I204-L263 HydrophobicContact CG1-CB 4.47Å; K205-L263 PolarHBondContact N-O 3.18Å; F247-L263 HydrophobicContact CD1-CD1 4.11Å; F247-L263 HydrophobicContact CE1-CD1 4.13Å; Q261-L263 HydrophobicContact CB-CD2 4.39Å; L263-F268 HydrophobicContact CB-CE2 3.97Å; L263-F268 HydrophobicContact CB-CZ 4.21Å; L263-F268 HydrophobicContact CD1-CE2 4.42Å; L263-F268 HydrophobicContact CD1-CZ 3.8Å
264	D	81.2	Confident	71.3	Confident	58 Å²	58	95.5 Å²	95.5	31%	0.31	46%	0.459	S	S	.	.			trans	-70.6	135.1	173.4	-168.2	-16.8	0	0	0	109.4	K266 N267	D264-K266 PolarHBondContact O-N 2.79Å; D264-K266 PolarHBondContact OD1-N 2.98Å; D264-K266 VanDerWaalsContact OD1-N 3.14Å; D264-N267 WeakPolarHBondContact O-CB 3.46Å; D264-N267 PolarHBondContact O-N 2.91Å
265	S	82.2	Confident	73.7	Confident	16 Å²	16	92.4 Å²	92.4	11%	0.112	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-60.1	-28.5	177.4	57.2	0	0	0	0	112.4	P206 N267 F268	P206-S265 VanDerWaalsContact O-CB 3.27Å; P206-S265 WeakPolarHBondContact O-CB 3.42Å; P206-S265 PolarHBondContact O-OG 3.15Å; S265-N267 PolarHBondContact O-N 3.33Å; S265-F268 PolarHBondContact O-N 2.85Å
266	K	80.8	Confident	76	Confident	168 Å²	168	81.9 Å²	81.9	73%	0.73	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.6	177.5	-63.6	172.5	-170.9	162.9	0	114.6	D264 F268	D264-K266 PolarHBondContact O-N 2.79Å; D264-K266 PolarHBondContact OD1-N 2.98Å; D264-K266 VanDerWaalsContact OD1-N 3.14Å; K266-F268 PolarHBondContact O-N 3.26Å
267	N	81.4	Confident	78.3	Confident	126 Å²	126	76.4 Å²	76.4	67%	0.674	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-77.6	-10.5	-179.2	-66.3	-17.3	0	0	0	113.1	D264 S265	D264-N267 WeakPolarHBondContact O-CB 3.46Å; D264-N267 PolarHBondContact O-N 2.91Å; S265-N267 PolarHBondContact O-N 3.33Å
268	F	82.7	Confident	80.6	Confident	14 Å²	14	71.5 Å²	71.5	6%	0.061	36%	0.359	C	S	.	.	S	Bend	trans	-106.9	151.4	-175.8	-61.5	-94.9	0	0	0	111.7	I204 F240 V242 D246 L263 S265 K266 S270	I204-F268 HydrophobicContact CD1-CE1 4.25Å; I204-F268 HydrophobicContact CD1-CE2 4.06Å; I204-F268 HydrophobicContact CD1-CZ 3.77Å; I204-F268 HydrophobicContact CG1-CE2 3.89Å; I204-F268 HydrophobicContact CG1-CZ 3.88Å; I204-F268 HydrophobicContact CG2-CD2 4.17Å; I204-F268 HydrophobicContact CG2-CE2 3.88Å; F240-F268 HydrophobicContact CD1-CB 4.15Å; F240-F268 HydrophobicContact CD1-CG 4.34Å; F240-F268 HydrophobicContact CE1-CB 3.38Å; F240-F268 AromaticContact CE1-CD1 3.72Å; F240-F268 HydrophobicContact CE1-CD1 3.72Å; F240-F268 AromaticContact CE1-CD2 3.65Å; F240-F268 HydrophobicContact CE1-CD2 3.65Å; F240-F268 HydrophobicContact CE1-CE1 4.37Å; F240-F268 HydrophobicContact CE1-CE2 4.31Å; F240-F268 AromaticContact CE1-CG 3.3Å; F240-F268 HydrophobicContact CE1-CG 3.3Å; F240-F268 HydrophobicContact CE2-CB 4.17Å; F240-F268 HydrophobicContact CZ-CB 3.39Å; F240-F268 HydrophobicContact CZ-CD1 4.4Å; F240-F268 AromaticContact CZ-CD2 3.54Å; F240-F268 HydrophobicContact CZ-CD2 3.54Å; F240-F268 HydrophobicContact CZ-CE2 4.39Å; F240-F268 AromaticContact CZ-CG 3.54Å; F240-F268 HydrophobicContact CZ-CG 3.54Å; V242-F268 HydrophobicContact CG1-CE1 4.3Å; V242-F268 HydrophobicContact CG2-CD1 4.3Å; V242-F268 HydrophobicContact CG2-CE1 4.47Å; D246-F268 HydrophobicContact CB-CD1 4.33Å; D246-F268 HydrophobicContact CB-CE1 3.7Å; D246-F268 HydrophobicContact CB-CZ 4.43Å; L263-F268 HydrophobicContact CB-CE2 3.97Å; L263-F268 HydrophobicContact CB-CZ 4.21Å; L263-F268 HydrophobicContact CD1-CE2 4.42Å; L263-F268 HydrophobicContact CD1-CZ 3.8Å; S265-F268 PolarHBondContact O-N 2.85Å; K266-F268 PolarHBondContact O-N 3.26Å; F268-S270 PolarHBondContact O-N 2.92Å
269	K	82.9	Confident	82.7	Confident	118 Å²	118	74.3 Å²	74.3	51%	0.513	36%	0.364	S	S	.	.			trans	-71.7	99	170.9	-176.6	-176.8	173.1	-175.7	0	109.1	T241 E312	T241-K269 PolarHBondContact N-O 3.43Å; K269-E312 IonicContact NZ-OE1 3.16Å; K269-E312 PolarHBondContact NZ-OE1 2.96Å
270	S	85.8	Confident	84.8	Confident	70 Å²	70	67 Å²	67	49%	0.49	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.2	171.4	55.6	0	0	0	0	111.4	R239 F268	R239-S270 CarbonylContact O-C 3.45Å; R239-S270 VanDerWaalsContact O-CA 3.32Å; R239-S270 WeakPolarHBondContact O-CA 3.49Å; F268-S270 PolarHBondContact O-N 2.92Å
271	V	87.8	Confident	86.3	Confident	25 Å²	25	66.8 Å²	66.8	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	122.6	174.1	179.6	0	0	0	0	107.1	N238 R239 L311 E312	N238-V271 CarbonylContact C-O 3.57Å; N238-V271 WeakPolarHBondContact CA-O 3.32Å; R239-V271 PolarHBondContact N-O 2.75Å; R239-V271 PolarHBondContact O-N 3.24Å; V271-L311 HydrophobicContact CG1-CB 4.12Å; V271-L311 WeakPolarHBondContact CG1-O 3.42Å; V271-E312 HydrophobicContact CG1-CG 3.93Å; V271-E312 HydrophobicContact CG2-CG 4.12Å
272	K	88.8	Confident	87.4	Confident	102 Å²	102	63.8 Å²	63.8	44%	0.443	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.2	-179.2	62.5	176.2	-175.4	174.6	0	112.7	D208 N238	D208-K272 IonicContact OD2-NZ 2.64Å; D208-K272 PolarHBondContact OD2-NZ 2.96Å; N238-K272 HydrophobicContact CB-CB 4.44Å; N238-K272 WeakPolarHBondContact OD1-CB 3.2Å
273	R	91.3	Very high	88.2	Confident	32 Å²	32	59.4 Å²	59.4	12%	0.121	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135.2	176.8	-179.2	175.5	170	172.2	3.6	110.3	F236 V237 L275 R310 L311 N314 L315	F236-R273 WeakPolarHBondContact CA-O 3.32Å; V237-R273 PolarHBondContact N-O 3.5Å; V237-R273 PolarHBondContact O-N 3.5Å; V237-R273 VanDerWaalsContact O-N 3.13Å; R273-L275 HydrophobicContact CG-CD2 3.89Å; R273-L275 HydrophobicContact CG-CG 4.38Å; R273-R310 PolarHBondContact NH1-O 2.85Å; R273-L311 HydrophobicContact CB-CD2 4.09Å; R273-N314 VanDerWaalsContact NH1-C 3.31Å; R273-N314 PolarHBondContact NH2-O 3.18Å; R273-L315 VanDerWaalsContact CZ-O 3.23Å; R273-L315 PolarHBondContact NH1-O 2.67Å; R273-L315 PolarHBondContact NH2-O 3.42Å
274	K	91.4	Very high	88.7	Confident	95 Å²	95	61.6 Å²	61.6	41%	0.413	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.1	170.6	-168.8	160.9	-179.7	155.1	0	109.2	G234 F236 H276	G234-K274 WeakPolarHBondContact O-CE 3.15Å; G234-K274 PolarHBondContact O-NZ 2.68Å; F236-K274 HydrophobicContact CD1-CB 3.76Å; F236-K274 HydrophobicContact CE1-CB 3.72Å; F236-K274 HydrophobicContact CE2-CD 4.28Å; F236-K274 HydrophobicContact CG-CB 4.24Å; F236-K274 HydrophobicContact CZ-CB 4.16Å; F236-K274 HydrophobicContact CZ-CD 4.22Å; K274-H276 WeakPolarHBondContact CE-O 3.5Å; K274-H276 WeakPolarHBondContact CG-O 3.4Å
275	L	90.9	Very high	89.2	Confident	11 Å²	11	60.2 Å²	60.2	6%	0.058	28%	0.284	C	S	.	.			trans	-126.5	-15.8	-177	-66.2	-176	0	0	0	113.4	G235 V237 R273 F292 V304 L311 V317	G235-L275 PolarHBondContact O-N 2.76Å; V237-L275 HydrophobicContact CB-CD1 3.85Å; V237-L275 HydrophobicContact CG2-CD1 3.75Å; V237-L275 HydrophobicContact CG2-CG 4.44Å; R273-L275 HydrophobicContact CG-CD2 3.89Å; R273-L275 HydrophobicContact CG-CG 4.38Å; L275-F292 HydrophobicContact CD1-CE2 3.67Å; L275-F292 HydrophobicContact CD1-CZ 3.71Å; L275-V304 HydrophobicContact CB-CG2 4.39Å; L275-V304 HydrophobicContact CD1-CG1 4.17Å; L275-L311 HydrophobicContact CD1-CD2 4.08Å; L275-V317 HydrophobicContact CD2-CG1 3.94Å; L275-V317 HydrophobicContact CD2-CG2 4.27Å
276	H	93.4	Very high	89.6	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.009	28%	0.282	C	S	.	.			trans	-134.4	152.1	-179.7	-55	-80.6	0	0	0	109.2	G235 K274 D278 S294 S296 H301	G235-H276 WeakPolarHBondContact CA-O 3.45Å; G235-H276 PolarHBondContact O-N 2.7Å; K274-H276 WeakPolarHBondContact CE-O 3.5Å; K274-H276 WeakPolarHBondContact CG-O 3.4Å; H276-D278 WeakPolarHBondContact CB-O 3.48Å; H276-S294 PolarHBondContact CE1-O 2.85Å; H276-S294 WeakPolarHBondContact NE2-CB 3.43Å; H276-S294 PolarHBondContact NE2-O 3.46Å; H276-S294 PolarHBondContact NE2-OG 2.82Å; H276-S296 VanDerWaalsContact CG-CB 3.45Å; H276-S296 VanDerWaalsContact ND1-CB 3.34Å; H276-S296 WeakPolarHBondContact ND1-CB 3.21Å; H276-H301 PolarHBondContact CE1-O 2.77Å; H276-H301 PolarHBondContact ND1-O 3.48Å
277	N	91.6	Very high	89.9	Confident	97 Å²	97	55.8 Å²	55.8	52%	0.519	27%	0.272	S	S	.	.	S	Bend	trans	-81	-19.7	174.1	-64	-62.6	0	0	0	113.3	D298 H301	N277-D298 VanDerWaalsContact CB-OD2 3.3Å; N277-D298 WeakPolarHBondContact CB-OD2 3.12Å; N277-D298 PolarHBondContact N-OD2 2.9Å; N277-D298 VanDerWaalsContact N-OD2 3.13Å; N277-D298 PolarHBondContact ND2-OD2 3.21Å; N277-H301 PolarHBondContact ND2-CD2 2.96Å; N277-H301 PolarHBondContact ND2-NE2 2.94Å; N277-H301 VanDerWaalsContact ND2-NE2 3.19Å
278	D	92.5	Very high	90.1	Very high	62 Å²	62	52.9 Å²	52.9	33%	0.332	27%	0.266	S	S	.	.	S	Bend	trans	-122.5	179.9	-176.3	-155.4	-16.2	0	0	0	110.8	G235 H276 S296 L297 D298	G235-D278 VanDerWaalsContact CA-O 3.29Å; G235-D278 WeakPolarHBondContact CA-O 3.43Å; H276-D278 WeakPolarHBondContact CB-O 3.48Å; D278-S296 VanDerWaalsContact C-OG 3.27Å; D278-S296 PolarHBondContact O-OG 3.38Å; D278-S296 VanDerWaalsContact O-OG 3.08Å; D278-L297 HydrophobicContact CB-CB 4.42Å; D278-D298 HydrophobicContact CB-CB 4.22Å
279	W	93.3	Very high	90.3	Very high	132 Å²	132	54.5 Å²	54.5	50%	0.5	28%	0.275	S	S	.	.			trans	-52.4	139	-174.6	-65.9	0.1	0	0	0	113.8	L212 M281 S296	L212-W279 HydrophobicContact CD1-CB 3.69Å; L212-W279 HydrophobicContact CD1-CD2 4.4Å; L212-W279 HydrophobicContact CD1-CG 4.04Å; W279-M281 HydrophobicContact CB-SD 4.23Å; W279-M281 PolarHBondContact O-N 2.81Å; W279-S296 VanDerWaalsContact O-CA 3.31Å; W279-S296 WeakPolarHBondContact O-CA 3.31Å; W279-S296 VanDerWaalsContact O-CB 3.23Å; W279-S296 WeakPolarHBondContact O-CB 3.4Å; W279-S296 PolarHBondContact O-OG 3.5Å
280	V	94.1	Very high	90.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	94.6	175.4	-167.8	0	0	0	0	110.1	C213 D232 F236 V237 I283 C295	C213-V280 PolarHBondContact SG-O 3.1Å; C213-V280 VanDerWaalsContact SG-O 3.35Å; D232-V280 PolarHBondContact O-N 3.22Å; F236-V280 WeakPolarHBondContact O-CG2 3.45Å; V237-V280 HydrophobicContact CG2-CG1 4.43Å; V280-I283 HydrophobicContact CG1-CD1 4.02Å; V280-I283 HydrophobicContact CG1-CG1 3.76Å; V280-C295 CarbonylContact C-O 3.57Å
281	M	91.9	Very high	90.8	Very high	71 Å²	71	51.1 Å²	51.1	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-39	-171.8	-62.8	-58.7	-67.2	0	0	113.1	W279 C295 L297	W279-M281 HydrophobicContact CB-SD 4.23Å; W279-M281 PolarHBondContact O-N 2.81Å; M281-C295 PolarHBondContact N-O 3.18Å; M281-L297 HydrophobicContact CG-CD2 4.01Å; M281-L297 HydrophobicContact CG-CG 3.95Å; M281-L297 HydrophobicContact SD-CD1 4.17Å; M281-L297 HydrophobicContact SD-CD2 4.28Å; M281-L297 HydrophobicContact SD-CG 4.05Å
282	K	92.3	Very high	91.1	Very high	22 Å²	22	50 Å²	50	10%	0.096	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141	-178.3	-167.3	169.5	175.1	175.1	0	111.6	S294 C295 T328 E371	K282-S294 WeakPolarHBondContact O-CA 3.26Å; K282-C295 PolarHBondContact O-N 2.95Å; K282-T328 WeakPolarHBondContact CD-OG1 3.45Å; K282-T328 PolarHBondContact NZ-OG1 3.14Å; K282-E371 IonicContact NZ-OE1 3.91Å; K282-E371 PolarHBondContact NZ-OE1 2.95Å; K282-E371 IonicContact NZ-OE2 2.87Å; K282-E371 PolarHBondContact NZ-OE2 2.84Å
283	I	94.4	Very high	91.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.7	170.6	-64.8	-177.3	0	0	0	109.6	C215 L229 L230 V237 V280 G293	C215-I283 HydrophobicContact CB-CG2 4.16Å; L229-I283 HydrophobicContact CB-CG2 3.92Å; L229-I283 HydrophobicContact CD1-CG2 4.17Å; L230-I283 VanDerWaalsContact C-CD1 3.44Å; V237-I283 HydrophobicContact CB-CD1 4.41Å; V237-I283 HydrophobicContact CG1-CD1 3.98Å; V237-I283 HydrophobicContact CG2-CD1 3.85Å; V280-I283 HydrophobicContact CG1-CD1 4.02Å; V280-I283 HydrophobicContact CG1-CG1 3.76Å; I283-G293 WeakPolarHBondContact CA-O 3.36Å
284	R	92	Very high	91.5	Very high	73 Å²	73	43.6 Å²	43.6	28%	0.275	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.8	168.4	-71.1	-66.4	172.6	-113.9	22	110.8	V214 G293 F329	V214-R284 PolarHBondContact O-NH1 2.89Å; R284-G293 PolarHBondContact N-O 2.85Å; R284-G293 PolarHBondContact O-N 2.83Å; R284-F329 HydrophobicContact CB-CE2 4.28Å; R284-F329 HydrophobicContact CB-CZ 3.83Å; R284-F329 HydrophobicContact CG-CZ 4.46Å
285	Y	91.7	Very high	91.6	Very high	29 Å²	29	39.1 Å²	39.1	11%	0.114	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.1	167.4	-176.1	-97.2	0	0	0	110.3	C215 V217 P218 N290 F292 L308	C215-Y285 PolarHBondContact SG-N 2.88Å; C215-Y285 VanDerWaalsContact SG-N 3.42Å; V217-Y285 HydrophobicContact CG1-CD1 4.16Å; V217-Y285 HydrophobicContact CG1-CD2 4.03Å; V217-Y285 HydrophobicContact CG1-CE1 4.02Å; V217-Y285 HydrophobicContact CG1-CE2 3.93Å; V217-Y285 HydrophobicContact CG1-CG 4.13Å; V217-Y285 HydrophobicContact CG2-CD2 4.22Å; V217-Y285 HydrophobicContact CG2-CG 4.36Å; P218-Y285 HydrophobicContact CG-CD1 3.98Å; P218-Y285 HydrophobicContact CG-CE1 4.14Å; Y285-N290 PolarHBondContact OH-OD1 2.85Å; Y285-F292 HydrophobicContact CD2-CB 4.25Å; Y285-L308 HydrophobicContact CD2-CD1 4.47Å; Y285-L308 HydrophobicContact CD2-CD2 4.35Å; Y285-L308 HydrophobicContact CE2-CD1 3.83Å; Y285-L308 HydrophobicContact CE2-CD2 4.36Å; Y285-L308 HydrophobicContact CE2-CG 4.04Å
286	I	90.9	Very high	91.8	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.072	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	92.1	-177.6	-57.1	167.4	0	0	0	108.1	A288 L289 N290 C291 L305 F329 Y331	I286-A288 HydrophobicContact CG2-CB 4.42Å; I286-A288 PolarHBondContact O-N 2.9Å; I286-L289 HydrophobicContact CB-CB 4.43Å; I286-L289 HydrophobicContact CD1-CD1 4.32Å; I286-L289 HydrophobicContact CG2-CB 4.06Å; I286-L289 HydrophobicContact CG2-CD1 3.93Å; I286-L289 HydrophobicContact CG2-CG 3.82Å; I286-L289 PolarHBondContact O-N 2.79Å; I286-N290 PolarHBondContact O-N 2.9Å; I286-C291 PolarHBondContact N-O 2.66Å; I286-C291 PolarHBondContact O-N 2.86Å; I286-L305 HydrophobicContact CD1-CD1 3.95Å; I286-F329 HydrophobicContact CD1-CE2 4.31Å; I286-Y331 HydrophobicContact CD1-CG 4.26Å; I286-Y331 HydrophobicContact CG2-CD1 3.43Å; I286-Y331 VanDerWaalsContact CG2-CD1 3.43Å; I286-Y331 HydrophobicContact CG2-CE1 3.83Å; I286-Y331 HydrophobicContact CG2-CG 3.98Å
287	S	86.6	Confident	91.7	Very high	76 Å²	76	41.1 Å²	41.1	53%	0.531	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.4	-176.8	-45.3	0	0	0	0	113.4	P218 L289 N290	P218-S287 VanDerWaalsContact CG-OG 3.3Å; P218-S287 WeakPolarHBondContact CG-OG 3.45Å; S287-L289 PolarHBondContact O-N 2.96Å; S287-N290 PolarHBondContact O-N 3.12Å
288	A	86.7	Confident	91.7	Very high	65 Å²	65	37.4 Å²	37.4	54%	0.537	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.9	177.2	0	0	0	0	0	114	I286 Y331 V333	I286-A288 HydrophobicContact CG2-CB 4.42Å; I286-A288 PolarHBondContact O-N 2.9Å; A288-Y331 HydrophobicContact CB-CE1 4.05Å; A288-V333 HydrophobicContact CB-CG1 4.26Å; A288-V333 HydrophobicContact CB-CG2 4.49Å
289	L	87	Confident	91.6	Very high	49 Å²	49	36.6 Å²	36.6	26%	0.257	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-7.7	177.4	-61.9	178.4	0	0	0	112.8	I286 S287 C291 L305 Y331 P352	I286-L289 HydrophobicContact CB-CB 4.43Å; I286-L289 HydrophobicContact CD1-CD1 4.32Å; I286-L289 HydrophobicContact CG2-CB 4.06Å; I286-L289 HydrophobicContact CG2-CD1 3.93Å; I286-L289 HydrophobicContact CG2-CG 3.82Å; I286-L289 PolarHBondContact O-N 2.79Å; S287-L289 PolarHBondContact O-N 2.96Å; L289-C291 HydrophobicContact CB-CB 4.25Å; L289-C291 PolarHBondContact O-N 3.08Å; L289-C291 PolarHBondContact O-SG 3.29Å; L289-C291 VanDerWaalsContact O-SG 3.37Å; L289-L305 HydrophobicContact CD1-CD2 4.4Å; L289-Y331 HydrophobicContact CD1-CD2 4.27Å; L289-Y331 HydrophobicContact CD1-CE2 3.97Å; L289-Y331 HydrophobicContact CG-CE1 4.36Å; L289-Y331 HydrophobicContact CG-CE2 4.45Å; L289-P352 HydrophobicContact CD1-CB 3.87Å; L289-P352 HydrophobicContact CD1-CG 3.91Å; L289-P352 HydrophobicContact CD2-CB 4.29Å; L289-P352 HydrophobicContact CD2-CG 4.27Å
290	N	88.5	Confident	91.3	Very high	103 Å²	103	35.2 Å²	35.2	55%	0.551	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	28.8	-169.5	-160.8	3.1	0	0	0	113.8	Y285 I286 S287	Y285-N290 PolarHBondContact OH-OD1 2.85Å; I286-N290 PolarHBondContact O-N 2.9Å; S287-N290 PolarHBondContact O-N 3.12Å
291	C	90.6	Very high	91.2	Very high	14 Å²	14	37.3 Å²	37.3	10%	0.095	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150	-176.2	-68.8	0	0	0	0	111.4	I286 L289 L305 E306 S307	I286-C291 PolarHBondContact N-O 2.66Å; I286-C291 PolarHBondContact O-N 2.86Å; L289-C291 HydrophobicContact CB-CB 4.25Å; L289-C291 PolarHBondContact O-N 3.08Å; L289-C291 PolarHBondContact O-SG 3.29Å; L289-C291 VanDerWaalsContact O-SG 3.37Å; C291-L305 HydrophobicContact CB-CD1 4.09Å; C291-L305 HydrophobicContact CB-CG 4.16Å; C291-E306 CarbonylContact C-O 3.58Å; C291-E306 VanDerWaalsContact CA-O 3.3Å; C291-E306 WeakPolarHBondContact CA-O 3.46Å; C291-E306 WeakPolarHBondContact CB-O 3.43Å; C291-E306 VanDerWaalsContact SG-C 3.53Å; C291-S307 PolarHBondContact SG-N 2.99Å
292	F	93	Very high	91.2	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	149.4	159.4	74.1	-85.8	0	0	0	109.9	L229 V237 L275 Y285 L305 E306 L308 L311	L229-F292 HydrophobicContact CD1-CB 3.54Å; L229-F292 HydrophobicContact CD1-CG 4.2Å; V237-F292 HydrophobicContact CG1-CD2 4.39Å; V237-F292 HydrophobicContact CG1-CE2 4.06Å; L275-F292 HydrophobicContact CD1-CE2 3.67Å; L275-F292 HydrophobicContact CD1-CZ 3.71Å; Y285-F292 HydrophobicContact CD2-CB 4.25Å; F292-L305 WeakPolarHBondContact O-CA 3.42Å; F292-E306 WeakPolarHBondContact CD1-O 3.03Å; F292-E306 WeakPolarHBondContact CE1-O 3.44Å; F292-E306 PolarHBondContact N-O 2.91Å; F292-E306 PolarHBondContact O-N 2.83Å; F292-L308 HydrophobicContact CB-CD2 4.49Å; F292-L308 HydrophobicContact CD1-CD2 4Å; F292-L311 HydrophobicContact CD1-CD1 4.47Å; F292-L311 HydrophobicContact CE1-CD1 3.98Å; F292-L311 HydrophobicContact CE1-CD2 4.08Å; F292-L311 HydrophobicContact CE1-CG 3.79Å; F292-L311 HydrophobicContact CE2-CD2 4.47Å; F292-L311 HydrophobicContact CZ-CD1 4.28Å; F292-L311 HydrophobicContact CZ-CD2 3.67Å; F292-L311 HydrophobicContact CZ-CG 3.93Å
293	G	93.3	Very high	91.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.3	164.5	0	0	0	0	0	110.7	I283 R284 V304 F329	I283-G293 WeakPolarHBondContact CA-O 3.36Å; R284-G293 PolarHBondContact N-O 2.85Å; R284-G293 PolarHBondContact O-N 2.83Å; G293-V304 CarbonylContact C-O 3.59Å; G293-V304 VanDerWaalsContact CA-O 3.24Å; G293-V304 WeakPolarHBondContact CA-O 3.49Å; G293-F329 VanDerWaalsContact C-CZ 3.42Å; G293-F329 VanDerWaalsContact O-CZ 3.29Å; G293-F329 WeakPolarHBondContact O-CZ 3.45Å
294	S	94.8	Very high	91.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.6	172.5	56.9	0	0	0	0	110	H276 K282 L303 V304	H276-S294 PolarHBondContact CE1-O 2.85Å; H276-S294 WeakPolarHBondContact NE2-CB 3.43Å; H276-S294 PolarHBondContact NE2-O 3.46Å; H276-S294 PolarHBondContact NE2-OG 2.82Å; K282-S294 WeakPolarHBondContact O-CA 3.26Å; S294-L303 WeakPolarHBondContact O-CA 3.41Å; S294-V304 PolarHBondContact N-O 2.98Å; S294-V304 PolarHBondContact O-N 3.22Å
295	C	95.1	Very high	91.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153	-177.5	85.7	0	0	0	0	113	V280 M281 K282 S302 L303 A326 F329	V280-C295 CarbonylContact C-O 3.57Å; M281-C295 PolarHBondContact N-O 3.18Å; K282-C295 PolarHBondContact O-N 2.95Å; C295-S302 CarbonylContact C-O 3.55Å; C295-S302 VanDerWaalsContact CA-O 3.25Å; C295-S302 WeakPolarHBondContact CA-O 3.48Å; C295-S302 WeakPolarHBondContact CB-O 3.38Å; C295-L303 HydrophobicContact CB-CD1 4.03Å; C295-A326 HydrophobicContact CB-CB 3.83Å; C295-A326 PolarHBondContact SG-O 3.42Å; C295-A326 VanDerWaalsContact SG-O 3.33Å; C295-F329 HydrophobicContact CB-CD1 3.78Å; C295-F329 HydrophobicContact CB-CE1 4.34Å
296	S	95.1	Very high	91.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.1	-170.1	-177.7	0	0	0	0	112.4	H276 D278 W279 D298 S302 A326	H276-S296 VanDerWaalsContact CG-CB 3.45Å; H276-S296 VanDerWaalsContact ND1-CB 3.34Å; H276-S296 WeakPolarHBondContact ND1-CB 3.21Å; D278-S296 VanDerWaalsContact C-OG 3.27Å; D278-S296 PolarHBondContact O-OG 3.38Å; D278-S296 VanDerWaalsContact O-OG 3.08Å; W279-S296 VanDerWaalsContact O-CA 3.31Å; W279-S296 WeakPolarHBondContact O-CA 3.31Å; W279-S296 VanDerWaalsContact O-CB 3.23Å; W279-S296 WeakPolarHBondContact O-CB 3.4Å; W279-S296 PolarHBondContact O-OG 3.5Å; S296-D298 PolarHBondContact O-N 2.95Å; S296-D298 PolarHBondContact OG-N 3.21Å; S296-S302 PolarHBondContact N-O 2.88Å; S296-A326 CarbonylContact C-O 3.45Å; S296-A326 PolarHBondContact N-O 3.36Å; S296-A326 PolarHBondContact O-N 2.75Å
297	L	91	Very high	91.2	Very high	55 Å²	55	30.3 Å²	30.3	29%	0.288	18%	0.181	S	C	.	.	S	Bend	trans	-68.3	-15.7	174.4	-57	178.5	0	0	0	113.4	D278 M281 S299 G325 N327	D278-L297 HydrophobicContact CB-CB 4.42Å; M281-L297 HydrophobicContact CG-CD2 4.01Å; M281-L297 HydrophobicContact CG-CG 3.95Å; M281-L297 HydrophobicContact SD-CD1 4.17Å; M281-L297 HydrophobicContact SD-CD2 4.28Å; M281-L297 HydrophobicContact SD-CG 4.05Å; L297-S299 PolarHBondContact O-N 2.7Å; L297-G325 WeakPolarHBondContact O-CA 3.3Å; L297-N327 WeakPolarHBondContact CD2-OD1 3.48Å
298	D	91	Very high	91.2	Very high	19 Å²	19	27.7 Å²	27.7	10%	0.102	16%	0.161	C	C	.	.			trans	-55.6	133.5	172.8	-172.6	-9.9	0	0	0	111.1	N277 D278 S296 N300 H301 S302 G325	N277-D298 VanDerWaalsContact CB-OD2 3.3Å; N277-D298 WeakPolarHBondContact CB-OD2 3.12Å; N277-D298 PolarHBondContact N-OD2 2.9Å; N277-D298 VanDerWaalsContact N-OD2 3.13Å; N277-D298 PolarHBondContact ND2-OD2 3.21Å; D278-D298 HydrophobicContact CB-CB 4.22Å; S296-D298 PolarHBondContact O-N 2.95Å; S296-D298 PolarHBondContact OG-N 3.21Å; D298-N300 PolarHBondContact OD1-N 3.08Å; D298-H301 IonicContact OD2-CD2 3.22Å; D298-H301 PolarHBondContact OD2-CD2 3.28Å; D298-H301 IonicContact OD2-CG 3.56Å; D298-S302 WeakPolarHBondContact O-CA 3.17Å; D298-S302 VanDerWaalsContact O-CB 3.29Å; D298-S302 WeakPolarHBondContact O-CB 3.26Å; D298-S302 PolarHBondContact O-N 2.93Å; D298-S302 PolarHBondContact O-OG 2.91Å; D298-G325 WeakPolarHBondContact O-CA 3.28Å
299	S	89.9	Confident	91.1	Very high	45 Å²	45	31.9 Å²	31.9	32%	0.315	17%	0.167	S	C	.	.	S	Bend	trans	-83	-18.8	178.2	-59.8	0	0	0	0	113.7	L297 S302 S321 M322 R324	L297-S299 PolarHBondContact O-N 2.7Å; S299-S302 WeakPolarHBondContact CA-OG 3.4Å; S299-S302 PolarHBondContact O-OG 2.86Å; S299-S321 WeakPolarHBondContact O-CB 3.32Å; S299-S321 PolarHBondContact O-OG 2.88Å; S299-M322 WeakPolarHBondContact CA-O 3.32Å; S299-M322 WeakPolarHBondContact CB-O 3.16Å; S299-M322 PolarHBondContact O-N 2.87Å; S299-R324 WeakPolarHBondContact OG-CA 3.3Å; S299-R324 PolarHBondContact OG-N 2.93Å
300	N	88.4	Confident	91	Very high	103 Å²	103	32.4 Å²	32.4	55%	0.551	17%	0.166	S	C	*	.	S	Bend	trans	-84.9	-59.2	176.5	-65.5	-22.7	0	0	0	110	D298 S302 S321	D298-N300 PolarHBondContact OD1-N 3.08Å; N300-S302 PolarHBondContact O-N 3.1Å; N300-S321 WeakPolarHBondContact O-CA 3.15Å; N300-S321 WeakPolarHBondContact O-CB 3.49Å
301	H	90.6	Very high	90.9	Very high	44 Å²	44	27.7 Å²	27.7	20%	0.204	14%	0.14	C	C	.	.	S	Bend	trans	-99.7	54	-179.8	-40.4	-58.6	0	0	0	111	H276 N277 D298 L303 V304 E319	H276-H301 PolarHBondContact CE1-O 2.77Å; H276-H301 PolarHBondContact ND1-O 3.48Å; N277-H301 PolarHBondContact ND2-CD2 2.96Å; N277-H301 PolarHBondContact ND2-NE2 2.94Å; N277-H301 VanDerWaalsContact ND2-NE2 3.19Å; D298-H301 IonicContact OD2-CD2 3.22Å; D298-H301 PolarHBondContact OD2-CD2 3.28Å; D298-H301 IonicContact OD2-CG 3.56Å; H301-L303 PolarHBondContact O-N 2.9Å; H301-V304 HydrophobicContact CB-CG2 4.5Å; H301-E319 IonicContact CE1-OE2 3.84Å; H301-E319 PolarHBondContact CE1-OE2 3.01Å; H301-E319 VanDerWaalsContact CE1-OE2 3.28Å; H301-E319 IonicContact CG-OE2 2.69Å; H301-E319 VanDerWaalsContact ND1-CD 3.28Å; H301-E319 IonicContact ND1-OE1 3.3Å; H301-E319 IonicContact ND1-OE2 2.63Å; H301-E319 PolarHBondContact ND1-OE2 2.94Å
302	S	92.6	Very high	90.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-66.6	-37.4	-171.6	-48.9	0	0	0	0	113.5	C295 S296 D298 S299 N300 F320 M322 A326	C295-S302 CarbonylContact C-O 3.55Å; C295-S302 VanDerWaalsContact CA-O 3.25Å; C295-S302 WeakPolarHBondContact CA-O 3.48Å; C295-S302 WeakPolarHBondContact CB-O 3.38Å; S296-S302 PolarHBondContact N-O 2.88Å; D298-S302 WeakPolarHBondContact O-CA 3.17Å; D298-S302 VanDerWaalsContact O-CB 3.29Å; D298-S302 WeakPolarHBondContact O-CB 3.26Å; D298-S302 PolarHBondContact O-N 2.93Å; D298-S302 PolarHBondContact O-OG 2.91Å; S299-S302 WeakPolarHBondContact CA-OG 3.4Å; S299-S302 PolarHBondContact O-OG 2.86Å; N300-S302 PolarHBondContact O-N 3.1Å; S302-F320 WeakPolarHBondContact CB-O 3.33Å; S302-F320 PolarHBondContact N-O 2.83Å; S302-M322 PolarHBondContact OG-N 2.94Å; S302-M322 PolarHBondContact OG-O 3.07Å; S302-A326 WeakPolarHBondContact O-CB 3.39Å
303	L	94.6	Very high	90.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.2	167.9	171.7	80.3	0	0	0	108.8	S294 C295 H301 E319 F320 F329 I338 T340	S294-L303 WeakPolarHBondContact O-CA 3.41Å; C295-L303 HydrophobicContact CB-CD1 4.03Å; H301-L303 PolarHBondContact O-N 2.9Å; L303-E319 WeakPolarHBondContact O-CA 3.39Å; L303-F320 HydrophobicContact CB-CB 4.19Å; L303-F320 HydrophobicContact CB-CD2 4.37Å; L303-F320 HydrophobicContact CD2-CD2 3.88Å; L303-F320 HydrophobicContact CD2-CE2 4.24Å; L303-F320 HydrophobicContact CD2-CG 4.16Å; L303-F320 HydrophobicContact CG-CD2 4.14Å; L303-F320 PolarHBondContact N-O 2.86Å; L303-F320 VanDerWaalsContact N-O 3.14Å; L303-F320 PolarHBondContact O-N 2.85Å; L303-F329 HydrophobicContact CD1-CB 4.22Å; L303-F329 HydrophobicContact CD1-CD1 3.83Å; L303-F329 HydrophobicContact CD1-CD2 3.92Å; L303-F329 HydrophobicContact CD1-CE1 4.16Å; L303-F329 HydrophobicContact CD1-CE2 4.24Å; L303-F329 HydrophobicContact CD1-CG 3.71Å; L303-F329 HydrophobicContact CD1-CZ 4.36Å; L303-I338 HydrophobicContact CD2-CG2 3.79Å; L303-T340 HydrophobicContact CD2-CG2 3.83Å
304	V	94.2	Very high	89.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	140	170.1	175.7	0	0	0	0	108.7	L275 G293 S294 H301 V317 R318 E319	L275-V304 HydrophobicContact CB-CG2 4.39Å; L275-V304 HydrophobicContact CD1-CG1 4.17Å; G293-V304 CarbonylContact C-O 3.59Å; G293-V304 VanDerWaalsContact CA-O 3.24Å; G293-V304 WeakPolarHBondContact CA-O 3.49Å; S294-V304 PolarHBondContact N-O 2.98Å; S294-V304 PolarHBondContact O-N 3.22Å; H301-V304 HydrophobicContact CB-CG2 4.5Å; V304-V317 HydrophobicContact CG1-CB 3.83Å; V304-V317 HydrophobicContact CG1-CG1 4.12Å; V304-V317 HydrophobicContact CG1-CG2 4.03Å; V304-R318 WeakPolarHBondContact CA-O 3.48Å; V304-E319 HydrophobicContact CG2-CG 4.2Å
305	L	93.4	Very high	88.9	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	114.6	178.6	-176.3	82.9	0	0	0	110.9	I286 L289 C291 F292 R318 F320 I338 P352	I286-L305 HydrophobicContact CD1-CD1 3.95Å; L289-L305 HydrophobicContact CD1-CD2 4.4Å; C291-L305 HydrophobicContact CB-CD1 4.09Å; C291-L305 HydrophobicContact CB-CG 4.16Å; F292-L305 WeakPolarHBondContact O-CA 3.42Å; L305-R318 PolarHBondContact N-O 3.35Å; L305-R318 WeakPolarHBondContact O-CB 3.43Å; L305-F320 HydrophobicContact CB-CE2 3.88Å; L305-F320 HydrophobicContact CD2-CE2 4.49Å; L305-F320 HydrophobicContact CD2-CZ 4.46Å; L305-I338 HydrophobicContact CD1-CD1 4.17Å; L305-I338 HydrophobicContact CD2-CD1 3.63Å; L305-I338 HydrophobicContact CG-CD1 4.43Å; L305-P352 HydrophobicContact CD2-CB 4.26Å
306	E	90.6	Very high	88.4	Confident	28 Å²	28	49.4 Å²	49.4	13%	0.131	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	168.5	171.3	-122.5	-66.6	-102.9	0	0	113.5	C291 F292 R310	C291-E306 CarbonylContact C-O 3.58Å; C291-E306 VanDerWaalsContact CA-O 3.3Å; C291-E306 WeakPolarHBondContact CA-O 3.46Å; C291-E306 WeakPolarHBondContact CB-O 3.43Å; C291-E306 VanDerWaalsContact SG-C 3.53Å; F292-E306 WeakPolarHBondContact CD1-O 3.03Å; F292-E306 WeakPolarHBondContact CE1-O 3.44Å; F292-E306 PolarHBondContact N-O 2.91Å; F292-E306 PolarHBondContact O-N 2.83Å; E306-R310 HydrophobicContact CB-CB 3.97Å; E306-R310 HydrophobicContact CB-CG 4.05Å; E306-R310 HydrophobicContact CG-CB 4.17Å; E306-R310 HydrophobicContact CG-CG 3.96Å; E306-R310 IonicContact OE1-CZ 2.71Å; E306-R310 IonicContact OE1-NE 2.64Å; E306-R310 PolarHBondContact OE1-NE 2.83Å; E306-R310 IonicContact OE1-NH2 2.93Å; E306-R310 PolarHBondContact OE1-NH2 2.94Å
307	S	88.1	Confident	88.1	Confident	31 Å²	31	50.4 Å²	50.4	22%	0.217	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	152	171.5	70.6	0	0	0	0	113	C291 K309 R310	C291-S307 PolarHBondContact SG-N 2.99Å; S307-K309 PolarHBondContact O-N 2.82Å; S307-K309 VanDerWaalsContact O-N 3.07Å; S307-R310 VanDerWaalsContact O-CB 3.29Å; S307-R310 WeakPolarHBondContact O-CB 3.45Å; S307-R310 PolarHBondContact O-N 2.81Å
308	L	86.6	Confident	88	Confident	20 Å²	20	51.8 Å²	51.8	11%	0.105	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.1	-177.1	-62.1	165.5	0	0	0	114	V217 L229 Y285 F292 R310 L311	V217-L308 HydrophobicContact CG1-CD1 3.7Å; V217-L308 HydrophobicContact CG2-CD1 4.3Å; V217-L308 HydrophobicContact CG2-CD2 4.17Å; L229-L308 HydrophobicContact CD1-CD2 4.04Å; L229-L308 HydrophobicContact CD2-CD2 3.95Å; L229-L308 HydrophobicContact CG-CD2 4.4Å; Y285-L308 HydrophobicContact CD2-CD1 4.47Å; Y285-L308 HydrophobicContact CD2-CD2 4.35Å; Y285-L308 HydrophobicContact CE2-CD1 3.83Å; Y285-L308 HydrophobicContact CE2-CD2 4.36Å; Y285-L308 HydrophobicContact CE2-CG 4.04Å; F292-L308 HydrophobicContact CB-CD2 4.49Å; F292-L308 HydrophobicContact CD1-CD2 4Å; L308-R310 VanDerWaalsContact C-N 3.28Å; L308-R310 PolarHBondContact O-N 2.67Å; L308-L311 PolarHBondContact O-N 2.89Å
309	K	84.3	Confident	88	Confident	154 Å²	154	54.5 Å²	54.5	67%	0.67	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.6	176.5	-64.8	-178.4	180	179.4	0	112.2	S307 L311 E312 D313	S307-K309 PolarHBondContact O-N 2.82Å; S307-K309 VanDerWaalsContact O-N 3.07Å; K309-L311 PolarHBondContact O-N 2.95Å; K309-L311 VanDerWaalsContact O-N 3.09Å; K309-E312 PolarHBondContact O-N 3.39Å; K309-D313 PolarHBondContact O-N 3.34Å
310	R	86.4	Confident	88.2	Confident	60 Å²	60	52.4 Å²	52.4	23%	0.226	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-13.7	179.3	-160.5	67.2	64.5	154.7	-8.2	113.4	R273 E306 S307 L308 D313 L315 P316 V317	R273-R310 PolarHBondContact NH1-O 2.85Å; E306-R310 HydrophobicContact CB-CB 3.97Å; E306-R310 HydrophobicContact CB-CG 4.05Å; E306-R310 HydrophobicContact CG-CB 4.17Å; E306-R310 HydrophobicContact CG-CG 3.96Å; E306-R310 IonicContact OE1-CZ 2.71Å; E306-R310 IonicContact OE1-NE 2.64Å; E306-R310 PolarHBondContact OE1-NE 2.83Å; E306-R310 IonicContact OE1-NH2 2.93Å; E306-R310 PolarHBondContact OE1-NH2 2.94Å; S307-R310 VanDerWaalsContact O-CB 3.29Å; S307-R310 WeakPolarHBondContact O-CB 3.45Å; S307-R310 PolarHBondContact O-N 2.81Å; L308-R310 VanDerWaalsContact C-N 3.28Å; L308-R310 PolarHBondContact O-N 2.67Å; R310-D313 WeakPolarHBondContact CA-OD1 3.28Å; R310-D313 WeakPolarHBondContact CD-OD1 3.48Å; R310-L315 WeakPolarHBondContact CD-O 3.35Å; R310-P316 WeakPolarHBondContact CD-O 3.3Å; R310-P316 PolarHBondContact NH1-O 2.83Å; R310-V317 HydrophobicContact CG-CG1 3.46Å; R310-V317 VanDerWaalsContact CG-CG1 3.46Å
311	L	85.3	Confident	88.3	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-79.3	-23.1	170.1	-63.2	173.4	0	0	0	112.8	L229 V237 R239 V271 R273 L275 F292 L308 K309	L229-L311 HydrophobicContact CD2-CD1 4.02Å; V237-L311 HydrophobicContact CB-CD2 4.28Å; V237-L311 HydrophobicContact CG1-CD1 4.34Å; V237-L311 HydrophobicContact CG1-CD2 4.13Å; R239-L311 HydrophobicContact CB-CD1 3.93Å; V271-L311 HydrophobicContact CG1-CB 4.12Å; V271-L311 WeakPolarHBondContact CG1-O 3.42Å; R273-L311 HydrophobicContact CB-CD2 4.09Å; L275-L311 HydrophobicContact CD1-CD2 4.08Å; F292-L311 HydrophobicContact CD1-CD1 4.47Å; F292-L311 HydrophobicContact CE1-CD1 3.98Å; F292-L311 HydrophobicContact CE1-CD2 4.08Å; F292-L311 HydrophobicContact CE1-CG 3.79Å; F292-L311 HydrophobicContact CE2-CD2 4.47Å; F292-L311 HydrophobicContact CZ-CD1 4.28Å; F292-L311 HydrophobicContact CZ-CD2 3.67Å; F292-L311 HydrophobicContact CZ-CG 3.93Å; L308-L311 PolarHBondContact O-N 2.89Å; K309-L311 PolarHBondContact O-N 2.95Å; K309-L311 VanDerWaalsContact O-N 3.09Å
312	E	84.4	Confident	88.3	Confident	96 Å²	96	48.7 Å²	48.7	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-95.2	-29.9	179.9	-68	179.8	148.9	0	0	112.7	R239 K269 V271 K309	R239-E312 IonicContact NH2-OE1 2.74Å; R239-E312 PolarHBondContact NH2-OE1 2.99Å; R239-E312 IonicContact NH2-OE2 3.28Å; K269-E312 IonicContact NZ-OE1 3.16Å; K269-E312 PolarHBondContact NZ-OE1 2.96Å; V271-E312 HydrophobicContact CG1-CG 3.93Å; V271-E312 HydrophobicContact CG2-CG 4.12Å; K309-E312 PolarHBondContact O-N 3.39Å
313	D	82	Confident	88	Confident	66 Å²	66	52.3 Å²	52.3	35%	0.353	27%	0.273	S	S	.	.	H	α-helix	trans	-94.2	-12.6	-170.7	66.6	28.6	0	0	0	116.4	K309 R310 L315	K309-D313 PolarHBondContact O-N 3.34Å; R310-D313 WeakPolarHBondContact CA-OD1 3.28Å; R310-D313 WeakPolarHBondContact CD-OD1 3.48Å; D313-L315 HydrophobicContact CB-CD1 4.28Å; D313-L315 HydrophobicContact CB-CG 4.14Å; D313-L315 PolarHBondContact O-N 3.07Å; D313-L315 VanDerWaalsContact O-N 3.1Å; D313-L315 WeakPolarHBondContact OD1-CB 3.42Å; D313-L315 PolarHBondContact OD1-N 2.87Å
314	N	77.6	Confident	87.7	Confident	113 Å²	113	58.8 Å²	58.8	60%	0.604	30%	0.297	S	S	*	.			trans	56	12.1	-174.7	-67.6	-52.4	0	0	0	117.1	R273	R273-N314 VanDerWaalsContact NH1-C 3.31Å; R273-N314 PolarHBondContact NH2-O 3.18Å
315	L	85.7	Confident	87.5	Confident	92 Å²	92	58.8 Å²	58.8	48%	0.482	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-66.8	159.6	177.3	-64.7	176.9	0	0	0	111.7	R273 R310 D313	R273-L315 VanDerWaalsContact CZ-O 3.23Å; R273-L315 PolarHBondContact NH1-O 2.67Å; R273-L315 PolarHBondContact NH2-O 3.42Å; R310-L315 WeakPolarHBondContact CD-O 3.35Å; D313-L315 HydrophobicContact CB-CD1 4.28Å; D313-L315 HydrophobicContact CB-CG 4.14Å; D313-L315 PolarHBondContact O-N 3.07Å; D313-L315 VanDerWaalsContact O-N 3.1Å; D313-L315 WeakPolarHBondContact OD1-CB 3.42Å; D313-L315 PolarHBondContact OD1-N 2.87Å
316	P	84.9	Confident	87.5	Confident	103 Å²	103	58.6 Å²	58.6	67%	0.669	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-54.8	143.3	178	20.9	-33.7	0	0	0	112.5	R310	R310-P316 WeakPolarHBondContact CD-O 3.3Å; R310-P316 PolarHBondContact NH1-O 2.83Å
317	V	88.1	Confident	87.6	Confident	22 Å²	22	58.3 Å²	58.3	13%	0.133	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-100.5	165.6	-178.9	-80.4	0	0	0	0	111.3	L275 V304 R310 E319	L275-V317 HydrophobicContact CD2-CG1 3.94Å; L275-V317 HydrophobicContact CD2-CG2 4.27Å; V304-V317 HydrophobicContact CG1-CB 3.83Å; V304-V317 HydrophobicContact CG1-CG1 4.12Å; V304-V317 HydrophobicContact CG1-CG2 4.03Å; R310-V317 HydrophobicContact CG-CG1 3.46Å; R310-V317 VanDerWaalsContact CG-CG1 3.46Å; V317-E319 HydrophobicContact CG2-CG 3.84Å; V317-E319 WeakPolarHBondContact CG2-OE1 3.29Å
318	R	89.8	Confident	87.9	Confident	84 Å²	84	56.9 Å²	56.9	32%	0.317	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.6	171.1	-174.1	-178.3	-63.5	163.7	1.4	109.4	V304 L305 F320 P352 N353	V304-R318 WeakPolarHBondContact CA-O 3.48Å; L305-R318 PolarHBondContact N-O 3.35Å; L305-R318 WeakPolarHBondContact O-CB 3.43Å; R318-F320 HydrophobicContact CG-CE2 3.93Å; R318-F320 HydrophobicContact CG-CZ 4.22Å; R318-P352 VanDerWaalsContact CD-O 3.28Å; R318-P352 WeakPolarHBondContact CD-O 3.14Å; R318-P352 PolarHBondContact NH1-O 2.98Å; R318-N353 PolarHBondContact NH1-OD1 2.93Å; R318-N353 PolarHBondContact NH2-OD1 2.98Å
319	E	91.3	Very high	88.3	Confident	75 Å²	75	56 Å²	56	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.6	-173.6	-61.6	168.9	-165.4	0	0	110.5	H301 L303 V304 V317 S355	H301-E319 IonicContact CE1-OE2 3.84Å; H301-E319 PolarHBondContact CE1-OE2 3.01Å; H301-E319 VanDerWaalsContact CE1-OE2 3.28Å; H301-E319 IonicContact CG-OE2 2.69Å; H301-E319 VanDerWaalsContact ND1-CD 3.28Å; H301-E319 IonicContact ND1-OE1 3.3Å; H301-E319 IonicContact ND1-OE2 2.63Å; H301-E319 PolarHBondContact ND1-OE2 2.94Å; L303-E319 WeakPolarHBondContact O-CA 3.39Å; V304-E319 HydrophobicContact CG2-CG 4.2Å; V317-E319 HydrophobicContact CG2-CG 3.84Å; V317-E319 WeakPolarHBondContact CG2-OE1 3.29Å; E319-S355 WeakPolarHBondContact O-CB 3.43Å; E319-S355 PolarHBondContact O-OG 3.18Å
320	F	93.5	Very high	88.8	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.8	176.6	-55.1	-111.4	0	0	0	108.1	S302 L303 L305 R318 I338 W350 S355	S302-F320 WeakPolarHBondContact CB-O 3.33Å; S302-F320 PolarHBondContact N-O 2.83Å; L303-F320 HydrophobicContact CB-CB 4.19Å; L303-F320 HydrophobicContact CB-CD2 4.37Å; L303-F320 HydrophobicContact CD2-CD2 3.88Å; L303-F320 HydrophobicContact CD2-CE2 4.24Å; L303-F320 HydrophobicContact CD2-CG 4.16Å; L303-F320 HydrophobicContact CG-CD2 4.14Å; L303-F320 PolarHBondContact N-O 2.86Å; L303-F320 VanDerWaalsContact N-O 3.14Å; L303-F320 PolarHBondContact O-N 2.85Å; L305-F320 HydrophobicContact CB-CE2 3.88Å; L305-F320 HydrophobicContact CD2-CE2 4.49Å; L305-F320 HydrophobicContact CD2-CZ 4.46Å; R318-F320 HydrophobicContact CG-CE2 3.93Å; R318-F320 HydrophobicContact CG-CZ 4.22Å; F320-I338 HydrophobicContact CZ-CD1 4.41Å; F320-W350 HydrophobicContact CD1-CB 4.08Å; F320-W350 AromaticContact CD1-CD2 3.73Å; F320-W350 HydrophobicContact CD1-CD2 3.73Å; F320-W350 AromaticContact CD1-CE3 3.63Å; F320-W350 HydrophobicContact CD1-CE3 3.63Å; F320-W350 AromaticContact CD1-CG 3.94Å; F320-W350 HydrophobicContact CD1-CG 3.94Å; F320-W350 HydrophobicContact CD1-CZ3 4.23Å; F320-W350 HydrophobicContact CE1-CB 3.9Å; F320-W350 HydrophobicContact CE1-CD2 4.41Å; F320-W350 HydrophobicContact CE1-CE3 4.31Å; F320-W350 HydrophobicContact CE1-CG 4.28Å; F320-S355 VanDerWaalsContact CD1-CA 3.44Å
321	S	90.9	Very high	89.1	Confident	68 Å²	68	48 Å²	48	48%	0.476	25%	0.249	S	C	.	.			trans	-90.4	137.1	-179.6	170.5	0	0	0	0	111.5	S299 N300	S299-S321 WeakPolarHBondContact O-CB 3.32Å; S299-S321 PolarHBondContact O-OG 2.88Å; N300-S321 WeakPolarHBondContact O-CA 3.15Å; N300-S321 WeakPolarHBondContact O-CB 3.49Å
322	M	90.2	Very high	89.4	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.248	C	C	.	.			trans	-139.3	139	174.6	-63.3	-157.2	-57.5	0	0	111.9	S299 S302 R324 G325 A326 T340 R348 W350	S299-M322 WeakPolarHBondContact CA-O 3.32Å; S299-M322 WeakPolarHBondContact CB-O 3.16Å; S299-M322 PolarHBondContact O-N 2.87Å; S302-M322 PolarHBondContact OG-N 2.94Å; S302-M322 PolarHBondContact OG-O 3.07Å; M322-R324 PolarHBondContact O-N 2.86Å; M322-G325 WeakPolarHBondContact CE-O 3.47Å; M322-G325 PolarHBondContact O-N 3.45Å; M322-G325 VanDerWaalsContact O-N 3.16Å; M322-A326 HydrophobicContact CE-CB 3.56Å; M322-T340 PolarHBondContact SD-OG1 2.8Å; M322-R348 HydrophobicContact SD-CB 4.31Å; M322-R348 HydrophobicContact SD-CG 4.32Å; M322-W350 HydrophobicContact CG-CZ2 3.74Å; M322-W350 HydrophobicContact SD-CZ2 3.97Å
323	P	87	Confident	89.6	Confident	77 Å²	77	47.1 Å²	47.1	50%	0.5	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	125.6	170	-23.1	33.3	0	0	0	111.2	G325 D344	P323-G325 PolarHBondContact O-N 3.23Å; P323-D344 WeakPolarHBondContact O-CB 3.47Å
324	R	87.1	Confident	89.8	Confident	136 Å²	136	50 Å²	50	51%	0.513	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	24.1	178.7	-46.9	-177	67.4	-125.5	-13	114.8	S299 M322 D343 D344	S299-R324 WeakPolarHBondContact OG-CA 3.3Å; S299-R324 PolarHBondContact OG-N 2.93Å; M322-R324 PolarHBondContact O-N 2.86Å; R324-D343 HydrophobicContact CB-CB 4.29Å; R324-D343 IonicContact CZ-OD2 2.65Å; R324-D343 VanDerWaalsContact CZ-OD2 3.3Å; R324-D343 VanDerWaalsContact NH1-C 3.27Å; R324-D343 PolarHBondContact NH1-O 3.48Å; R324-D343 IonicContact NH1-OD2 3.88Å; R324-D343 PolarHBondContact NH1-OD2 2.98Å; R324-D343 VanDerWaalsContact NH1-OD2 3.17Å; R324-D343 IonicContact NH2-OD2 3.82Å; R324-D343 PolarHBondContact NH2-OD2 3.22Å; R324-D344 HydrophobicContact CB-CB 4.38Å
325	G	90.4	Very high	90.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.			trans	70.2	-166.6	165.9	0	0	0	0	0	116.4	L297 D298 M322 P323	L297-G325 WeakPolarHBondContact O-CA 3.3Å; D298-G325 WeakPolarHBondContact O-CA 3.28Å; M322-G325 WeakPolarHBondContact CE-O 3.47Å; M322-G325 PolarHBondContact O-N 3.45Å; M322-G325 VanDerWaalsContact O-N 3.16Å; P323-G325 PolarHBondContact O-N 3.23Å
326	A	94.2	Very high	90.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.			trans	-131.5	115.9	-174.4	0	0	0	0	0	111.6	C295 S296 S302 M322	C295-A326 HydrophobicContact CB-CB 3.83Å; C295-A326 PolarHBondContact SG-O 3.42Å; C295-A326 VanDerWaalsContact SG-O 3.33Å; S296-A326 CarbonylContact C-O 3.45Å; S296-A326 PolarHBondContact N-O 3.36Å; S296-A326 PolarHBondContact O-N 2.75Å; S302-A326 WeakPolarHBondContact O-CB 3.39Å; M322-A326 HydrophobicContact CE-CB 3.56Å
327	N	92.4	Very high	90.8	Very high	22 Å²	22	40.1 Å²	40.1	12%	0.118	21%	0.206	C	C	.	.	S	Bend	trans	-76.1	-31.8	172.1	-67	-26.4	0	0	0	111.2	L297 G341 S368 I369	L297-N327 WeakPolarHBondContact CD2-OD1 3.48Å; N327-G341 PolarHBondContact N-O 3.32Å; N327-S368 PolarHBondContact ND2-OG 3.4Å; N327-I369 WeakPolarHBondContact CB-O 3.47Å; N327-I369 PolarHBondContact ND2-O 3.44Å
328	T	93.7	Very high	91.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	156.7	-173	-172.5	0	0	0	0	112	K282 G341 I369 E371 I372	K282-T328 WeakPolarHBondContact CD-OG1 3.45Å; K282-T328 PolarHBondContact NZ-OG1 3.14Å; T328-G341 PolarHBondContact N-O 3.33Å; T328-G341 PolarHBondContact O-N 2.87Å; T328-G341 VanDerWaalsContact O-N 3.09Å; T328-I369 HydrophobicContact CG2-CG2 4.34Å; T328-E371 PolarHBondContact OG1-OE2 2.91Å; T328-I372 HydrophobicContact CG2-CB 4.15Å; T328-I372 HydrophobicContact CG2-CD1 3.98Å; T328-I372 HydrophobicContact CG2-CG1 3.67Å
329	F	95.4	Very high	91.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.3	167.4	77.7	-76.5	0	0	0	111.2	R284 I286 G293 C295 L303 I338 V339 T340	R284-F329 HydrophobicContact CB-CE2 4.28Å; R284-F329 HydrophobicContact CB-CZ 3.83Å; R284-F329 HydrophobicContact CG-CZ 4.46Å; I286-F329 HydrophobicContact CD1-CE2 4.31Å; G293-F329 VanDerWaalsContact C-CZ 3.42Å; G293-F329 VanDerWaalsContact O-CZ 3.29Å; G293-F329 WeakPolarHBondContact O-CZ 3.45Å; C295-F329 HydrophobicContact CB-CD1 3.78Å; C295-F329 HydrophobicContact CB-CE1 4.34Å; L303-F329 HydrophobicContact CD1-CB 4.22Å; L303-F329 HydrophobicContact CD1-CD1 3.83Å; L303-F329 HydrophobicContact CD1-CD2 3.92Å; L303-F329 HydrophobicContact CD1-CE1 4.16Å; L303-F329 HydrophobicContact CD1-CE2 4.24Å; L303-F329 HydrophobicContact CD1-CG 3.71Å; L303-F329 HydrophobicContact CD1-CZ 4.36Å; F329-I338 HydrophobicContact CD2-CG2 4.24Å; F329-V339 CarbonylContact C-O 3.51Å; F329-V339 WeakPolarHBondContact CA-O 3.48Å; F329-V339 WeakPolarHBondContact CB-O 3.13Å; F329-T340 HydrophobicContact CB-CG2 4Å
330	C	94.1	Very high	91.6	Very high	19 Å²	19	31.6 Å²	31.6	13%	0.128	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	173.4	165.4	61.3	0	0	0	0	110	V339 I372	C330-V339 PolarHBondContact N-O 3.02Å; C330-V339 PolarHBondContact O-N 2.88Å; C330-I372 VanDerWaalsContact SG-CG2 3.59Å
331	Y	93.3	Very high	91.6	Very high	27 Å²	27	31.5 Å²	31.5	11%	0.106	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.6	176.8	173	-111.4	0	0	0	108.6	I286 A288 L289 V333 N336 V337 I338 P352 T374	I286-Y331 HydrophobicContact CD1-CG 4.26Å; I286-Y331 HydrophobicContact CG2-CD1 3.43Å; I286-Y331 VanDerWaalsContact CG2-CD1 3.43Å; I286-Y331 HydrophobicContact CG2-CE1 3.83Å; I286-Y331 HydrophobicContact CG2-CG 3.98Å; A288-Y331 HydrophobicContact CB-CE1 4.05Å; L289-Y331 HydrophobicContact CD1-CD2 4.27Å; L289-Y331 HydrophobicContact CD1-CE2 3.97Å; L289-Y331 HydrophobicContact CG-CE1 4.36Å; L289-Y331 HydrophobicContact CG-CE2 4.45Å; Y331-V333 HydrophobicContact CD1-CG2 3.95Å; Y331-V333 HydrophobicContact CE1-CB 4.17Å; Y331-V333 HydrophobicContact CE1-CG2 3.82Å; Y331-N336 PolarHBondContact OH-OD1 3.34Å; Y331-N336 VanDerWaalsContact OH-OD1 3.1Å; Y331-V337 VanDerWaalsContact CD2-O 3.28Å; Y331-V337 WeakPolarHBondContact CD2-O 3.48Å; Y331-I338 HydrophobicContact CD2-CG1 3.77Å; Y331-I338 HydrophobicContact CE2-CG1 4.48Å; Y331-P352 HydrophobicContact CD2-CG 4.43Å; Y331-P352 HydrophobicContact CE2-CG 3.73Å; Y331-T374 PolarHBondContact O-OG1 3.18Å
332	C	91.4	Very high	91.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.4	166.2	-179	0	0	0	0	108.8	A335 N336 V337 T374 E376 I395	C332-A335 HydrophobicContact CB-CB 4.3Å; C332-A335 PolarHBondContact SG-N 2.86Å; C332-A335 VanDerWaalsContact SG-N 3.44Å; C332-N336 WeakPolarHBondContact O-CA 3.01Å; C332-N336 PolarHBondContact O-N 3Å; C332-V337 HydrophobicContact CB-CG2 4.15Å; C332-V337 PolarHBondContact N-O 2.89Å; C332-V337 PolarHBondContact O-N 2.81Å; C332-T374 HydrophobicContact CB-CG2 3.88Å; C332-E376 VanDerWaalsContact CA-OE1 3.26Å; C332-E376 WeakPolarHBondContact CA-OE1 3.34Å; C332-E376 PolarHBondContact SG-OE2 2.88Å; C332-I395 HydrophobicContact CB-CD1 3.78Å
333	V	89	Confident	91.7	Very high	81 Å²	81	30.6 Å²	30.6	49%	0.491	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-45.4	178.1	-173.1	0	0	0	0	110.8	A288 Y331 N336 E376	A288-V333 HydrophobicContact CB-CG1 4.26Å; A288-V333 HydrophobicContact CB-CG2 4.49Å; Y331-V333 HydrophobicContact CD1-CG2 3.95Å; Y331-V333 HydrophobicContact CE1-CB 4.17Å; Y331-V333 HydrophobicContact CE1-CG2 3.82Å; V333-N336 PolarHBondContact O-N 2.78Å; V333-E376 VanDerWaalsContact N-CD 3.27Å; V333-E376 PolarHBondContact N-OE1 2.78Å; V333-E376 PolarHBondContact N-OE2 3.03Å
334	K	86.4	Confident	91.8	Very high	126 Å²	126	28.4 Å²	28.4	55%	0.548	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-46.3	-178.3	-79.9	-155.6	-171.4	170.7	0	113.5	E376 K377 Q379	K334-E376 WeakPolarHBondContact CD-O 3.46Å; K334-E376 WeakPolarHBondContact CE-O 3.28Å; K334-E376 WeakPolarHBondContact CG-O 3.17Å; K334-E376 PolarHBondContact N-OE2 3.48Å; K334-E376 PolarHBondContact NZ-O 2.83Å; K334-K377 PolarHBondContact NZ-O 3.43Å; K334-Q379 HydrophobicContact CB-CG 4.09Å; K334-Q379 HydrophobicContact CD-CG 4.25Å
335	A	84.3	Confident	92	Very high	28 Å²	28	26 Å²	26	23%	0.231	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.6	-178	0	0	0	0	0	113.4	C332 V337 I395	C332-A335 HydrophobicContact CB-CB 4.3Å; C332-A335 PolarHBondContact SG-N 2.86Å; C332-A335 VanDerWaalsContact SG-N 3.44Å; A335-V337 VanDerWaalsContact C-N 3.3Å; A335-V337 HydrophobicContact CB-CG2 3.96Å; A335-V337 PolarHBondContact O-N 3.14Å; A335-I395 HydrophobicContact CB-CD1 4.16Å; A335-I395 HydrophobicContact CB-CG2 3.7Å
336	N	91.3	Very high	92.2	Very high	59 Å²	59	27.1 Å²	27.1	32%	0.316	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	45.8	-178	-178	35.6	0	0	0	113	Y331 C332 V333 H351 P352	Y331-N336 PolarHBondContact OH-OD1 3.34Å; Y331-N336 VanDerWaalsContact OH-OD1 3.1Å; C332-N336 WeakPolarHBondContact O-CA 3.01Å; C332-N336 PolarHBondContact O-N 3Å; V333-N336 PolarHBondContact O-N 2.78Å; N336-H351 PolarHBondContact ND2-CD2 2.82Å; N336-H351 PolarHBondContact ND2-NE2 3.08Å; N336-H351 VanDerWaalsContact ND2-NE2 3.11Å; N336-P352 WeakPolarHBondContact O-CD 3.35Å; N336-P352 WeakPolarHBondContact OD1-CG 3.07Å
337	V	92.9	Very high	92.2	Very high	14 Å²	14	27.1 Å²	27.1	9%	0.085	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140	178	-69	0	0	0	0	112.2	Y331 C332 A335 V339 W350 I395	Y331-V337 VanDerWaalsContact CD2-O 3.28Å; Y331-V337 WeakPolarHBondContact CD2-O 3.48Å; C332-V337 HydrophobicContact CB-CG2 4.15Å; C332-V337 PolarHBondContact N-O 2.89Å; C332-V337 PolarHBondContact O-N 2.81Å; A335-V337 VanDerWaalsContact C-N 3.3Å; A335-V337 HydrophobicContact CB-CG2 3.96Å; A335-V337 PolarHBondContact O-N 3.14Å; V337-V339 HydrophobicContact CG2-CG2 4.49Å; V337-W350 CarbonylContact C-O 3.54Å; V337-W350 WeakPolarHBondContact CA-O 3.26Å; V337-I395 HydrophobicContact CG2-CD1 4.03Å; V337-I395 HydrophobicContact CG2-CG2 3.98Å
338	I	94.3	Very high	92.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.8	167.7	-56.4	170.6	0	0	0	107.8	L303 L305 F320 F329 Y331 T340 L349 W350 P352	L303-I338 HydrophobicContact CD2-CG2 3.79Å; L305-I338 HydrophobicContact CD1-CD1 4.17Å; L305-I338 HydrophobicContact CD2-CD1 3.63Å; L305-I338 HydrophobicContact CG-CD1 4.43Å; F320-I338 HydrophobicContact CZ-CD1 4.41Å; F329-I338 HydrophobicContact CD2-CG2 4.24Å; Y331-I338 HydrophobicContact CD2-CG1 3.77Å; Y331-I338 HydrophobicContact CE2-CG1 4.48Å; I338-T340 HydrophobicContact CG2-CG2 4.15Å; I338-L349 CarbonylContact O-C 3.6Å; I338-L349 WeakPolarHBondContact O-CA 3.41Å; I338-W350 HydrophobicContact CB-CB 4.45Å; I338-W350 PolarHBondContact N-O 3.38Å; I338-W350 PolarHBondContact O-N 2.72Å; I338-P352 HydrophobicContact CD1-CB 4.13Å; I338-P352 HydrophobicContact CD1-CG 4.19Å; I338-P352 HydrophobicContact CG1-CG 4.13Å
339	V	95.6	Very high	92.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.4	-178.6	-170.4	0	0	0	0	107.9	F329 C330 V337 I347 R348 L349 I372 T374 I381	F329-V339 CarbonylContact C-O 3.51Å; F329-V339 WeakPolarHBondContact CA-O 3.48Å; F329-V339 WeakPolarHBondContact CB-O 3.13Å; C330-V339 PolarHBondContact N-O 3.02Å; C330-V339 PolarHBondContact O-N 2.88Å; V337-V339 HydrophobicContact CG2-CG2 4.49Å; V339-I347 HydrophobicContact CG1-CG2 3.43Å; V339-I347 VanDerWaalsContact CG1-CG2 3.43Å; V339-R348 WeakPolarHBondContact CA-O 3.44Å; V339-L349 HydrophobicContact CB-CD2 4.32Å; V339-L349 HydrophobicContact CG1-CD2 4Å; V339-L349 HydrophobicContact CG2-CD2 3.88Å; V339-I372 HydrophobicContact CG1-CD1 4.23Å; V339-I372 HydrophobicContact CG1-CG2 3.96Å; V339-T374 HydrophobicContact CG2-CG2 4.36Å; V339-I381 HydrophobicContact CB-CD1 4.36Å; V339-I381 HydrophobicContact CG1-CD1 3.68Å; V339-I381 HydrophobicContact CG1-CG1 4.18Å; V339-I381 HydrophobicContact CG1-CG2 4.07Å; V339-I381 HydrophobicContact CG2-CD1 3.7Å; V339-I381 HydrophobicContact CG2-CG1 4.03Å
340	T	95.6	Very high	92.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.7	-176.6	57.7	0	0	0	0	111	L303 M322 F329 I338 I347 R348 W350	L303-T340 HydrophobicContact CD2-CG2 3.83Å; M322-T340 PolarHBondContact SD-OG1 2.8Å; F329-T340 HydrophobicContact CB-CG2 4Å; I338-T340 HydrophobicContact CG2-CG2 4.15Å; T340-I347 WeakPolarHBondContact O-CA 3.35Å; T340-R348 PolarHBondContact N-O 3.49Å; T340-R348 PolarHBondContact O-N 3.02Å; T340-R348 PolarHBondContact OG1-O 3.1Å; T340-W350 PolarHBondContact OG1-NE1 3.46Å
341	G	94.6	Very high	92.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.4	172.8	0	0	0	0	0	112.7	N327 T328	N327-G341 PolarHBondContact N-O 3.32Å; T328-G341 PolarHBondContact N-O 3.33Å; T328-G341 PolarHBondContact O-N 2.87Å; T328-G341 VanDerWaalsContact O-N 3.09Å
342	G	91.5	Very high	91.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.			trans	-162.8	-148.3	-177	0	0	0	0	0	112.6	D344 K345 I369	G342-D344 VanDerWaalsContact C-N 3.34Å; G342-D344 PolarHBondContact O-N 2.91Å; G342-K345 PolarHBondContact O-N 2.78Å; G342-I369 PolarHBondContact O-N 3.35Å; G342-I369 VanDerWaalsContact O-N 3.1Å
343	D	90.8	Very high	91.7	Very high	50 Å²	50	33.2 Å²	33.2	27%	0.267	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-18.6	-165.6	-130.5	66.1	0	0	0	113.6	R324 K345 S368	R324-D343 HydrophobicContact CB-CB 4.29Å; R324-D343 IonicContact CZ-OD2 2.65Å; R324-D343 VanDerWaalsContact CZ-OD2 3.3Å; R324-D343 VanDerWaalsContact NH1-C 3.27Å; R324-D343 PolarHBondContact NH1-O 3.48Å; R324-D343 IonicContact NH1-OD2 3.88Å; R324-D343 PolarHBondContact NH1-OD2 2.98Å; R324-D343 VanDerWaalsContact NH1-OD2 3.17Å; R324-D343 IonicContact NH2-OD2 3.82Å; R324-D343 PolarHBondContact NH2-OD2 3.22Å; D343-K345 PolarHBondContact O-N 2.75Å; D343-S368 WeakPolarHBondContact OD1-CB 3.34Å; D343-S368 PolarHBondContact OD1-OG 2.83Å
344	D	90	Very high	91.6	Very high	30 Å²	30	33.2 Å²	33.2	16%	0.16	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-1.8	172.5	83.6	-21.9	0	0	0	114.7	P323 R324 G342 V346 R348	P323-D344 WeakPolarHBondContact O-CB 3.47Å; R324-D344 HydrophobicContact CB-CB 4.38Å; G342-D344 VanDerWaalsContact C-N 3.34Å; G342-D344 PolarHBondContact O-N 2.91Å; D344-V346 PolarHBondContact O-N 2.92Å; D344-V346 PolarHBondContact OD1-N 3.21Å; D344-V346 VanDerWaalsContact OD1-N 3.1Å; D344-R348 IonicContact OD1-NH1 2.84Å; D344-R348 PolarHBondContact OD1-NH1 2.7Å; D344-R348 IonicContact OD2-CZ 2.69Å; D344-R348 IonicContact OD2-NH1 2.67Å; D344-R348 PolarHBondContact OD2-NH1 3.02Å; D344-R348 IonicContact OD2-NH2 2.82Å; D344-R348 PolarHBondContact OD2-NH2 2.68Å
345	K	91.6	Very high	91.5	Very high	86 Å²	86	28.7 Å²	28.7	37%	0.374	15%	0.152	S	C	.	.	S	Bend	trans	68.8	9.2	173.7	-34.6	168.3	-179.3	-171.7	0	114.9	G342 D343 H365 M366	G342-K345 PolarHBondContact O-N 2.78Å; D343-K345 PolarHBondContact O-N 2.75Å; K345-H365 HydrophobicContact CB-CB 4.38Å; K345-H365 VanDerWaalsContact CB-O 3.29Å; K345-H365 WeakPolarHBondContact CB-O 3.44Å; K345-M366 WeakPolarHBondContact CD-O 3.45Å; K345-M366 VanDerWaalsContact CE-O 3.28Å; K345-M366 WeakPolarHBondContact CE-O 3.45Å; K345-M366 PolarHBondContact NZ-O 2.79Å
346	V	92.9	Very high	91.6	Very high	24 Å²	24	33.1 Å²	33.1	15%	0.145	18%	0.177	C	C	.	.			trans	-109.5	125	-180	177.2	0	0	0	0	110.1	D344 R348 K361 V363	D344-V346 PolarHBondContact O-N 2.92Å; D344-V346 PolarHBondContact OD1-N 3.21Å; D344-V346 VanDerWaalsContact OD1-N 3.1Å; V346-R348 HydrophobicContact CG1-CG 4.27Å; V346-R348 PolarHBondContact O-NH1 2.99Å; V346-K361 HydrophobicContact CG1-CB 4.18Å; V346-V363 HydrophobicContact CG1-CG2 4.1Å; V346-V363 HydrophobicContact CG2-CG2 4.35Å
347	I	95.6	Very high	91.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.9	170.4	-53.6	165.8	0	0	0	107.6	V339 T340 K361 L362 I369 I372 W393	V339-I347 HydrophobicContact CG1-CG2 3.43Å; V339-I347 VanDerWaalsContact CG1-CG2 3.43Å; T340-I347 WeakPolarHBondContact O-CA 3.35Å; I347-K361 CarbonylContact O-C 3.53Å; I347-K361 WeakPolarHBondContact O-CA 3.47Å; I347-L362 HydrophobicContact CB-CB 4.11Å; I347-L362 HydrophobicContact CB-CD1 4.32Å; I347-L362 HydrophobicContact CD1-CD1 4.48Å; I347-L362 HydrophobicContact CG2-CD1 4.12Å; I347-L362 PolarHBondContact N-O 3.38Å; I347-L362 VanDerWaalsContact N-O 3.11Å; I347-L362 PolarHBondContact O-N 3.02Å; I347-I369 HydrophobicContact CG1-CD1 3.6Å; I347-I372 HydrophobicContact CG1-CD1 4.29Å; I347-I372 HydrophobicContact CG2-CD1 4.12Å; I347-W393 HydrophobicContact CD1-CZ2 4.27Å; I347-W393 VanDerWaalsContact CD1-NE1 3.33Å
348	R	94.1	Very high	91.2	Very high	22 Å²	22	38.9 Å²	38.9	8%	0.083	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.7	175.7	-66.7	179.2	-174.8	65.9	-1	110.8	M322 V339 T340 D344 V346 W350 P358 K361	M322-R348 HydrophobicContact SD-CB 4.31Å; M322-R348 HydrophobicContact SD-CG 4.32Å; V339-R348 WeakPolarHBondContact CA-O 3.44Å; T340-R348 PolarHBondContact N-O 3.49Å; T340-R348 PolarHBondContact O-N 3.02Å; T340-R348 PolarHBondContact OG1-O 3.1Å; D344-R348 IonicContact OD1-NH1 2.84Å; D344-R348 PolarHBondContact OD1-NH1 2.7Å; D344-R348 IonicContact OD2-CZ 2.69Å; D344-R348 IonicContact OD2-NH1 2.67Å; D344-R348 PolarHBondContact OD2-NH1 3.02Å; D344-R348 IonicContact OD2-NH2 2.82Å; D344-R348 PolarHBondContact OD2-NH2 2.68Å; V346-R348 HydrophobicContact CG1-CG 4.27Å; V346-R348 PolarHBondContact O-NH1 2.99Å; R348-W350 HydrophobicContact CB-CZ2 4.28Å; R348-P358 HydrophobicContact CB-CB 4.06Å; R348-P358 HydrophobicContact CG-CB 4.33Å; R348-K361 HydrophobicContact CG-CG 4.37Å
349	L	94.4	Very high	91	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.5	172	-50.3	-176.5	0	0	0	108.7	I338 V339 P358 V359 G360 L362 I381 I395 L398	I338-L349 CarbonylContact O-C 3.6Å; I338-L349 WeakPolarHBondContact O-CA 3.41Å; V339-L349 HydrophobicContact CB-CD2 4.32Å; V339-L349 HydrophobicContact CG1-CD2 4Å; V339-L349 HydrophobicContact CG2-CD2 3.88Å; L349-P358 CarbonylContact O-C 3.57Å; L349-P358 VanDerWaalsContact O-CA 3.3Å; L349-P358 WeakPolarHBondContact O-CA 3.32Å; L349-P358 WeakPolarHBondContact O-CB 3.24Å; L349-V359 PolarHBondContact O-N 2.76Å; L349-G360 PolarHBondContact N-O 3.29Å; L349-G360 PolarHBondContact O-N 3.26Å; L349-L362 HydrophobicContact CD2-CD1 4.43Å; L349-I381 HydrophobicContact CD2-CD1 3.52Å; L349-I395 HydrophobicContact CD1-CG2 4.36Å; L349-L398 HydrophobicContact CD1-CD2 3.37Å
350	W	93.5	Very high	90.6	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.023	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.7	179.9	-53.3	87.1	0	0	0	109.9	F320 M322 V337 I338 T340 R348 S355 P358	F320-W350 HydrophobicContact CD1-CB 4.08Å; F320-W350 AromaticContact CD1-CD2 3.73Å; F320-W350 HydrophobicContact CD1-CD2 3.73Å; F320-W350 AromaticContact CD1-CE3 3.63Å; F320-W350 HydrophobicContact CD1-CE3 3.63Å; F320-W350 AromaticContact CD1-CG 3.94Å; F320-W350 HydrophobicContact CD1-CG 3.94Å; F320-W350 HydrophobicContact CD1-CZ3 4.23Å; F320-W350 HydrophobicContact CE1-CB 3.9Å; F320-W350 HydrophobicContact CE1-CD2 4.41Å; F320-W350 HydrophobicContact CE1-CE3 4.31Å; F320-W350 HydrophobicContact CE1-CG 4.28Å; M322-W350 HydrophobicContact CG-CZ2 3.74Å; M322-W350 HydrophobicContact SD-CZ2 3.97Å; V337-W350 CarbonylContact C-O 3.54Å; V337-W350 WeakPolarHBondContact CA-O 3.26Å; I338-W350 HydrophobicContact CB-CB 4.45Å; I338-W350 PolarHBondContact N-O 3.38Å; I338-W350 PolarHBondContact O-N 2.72Å; T340-W350 PolarHBondContact OG1-NE1 3.46Å; R348-W350 HydrophobicContact CB-CZ2 4.28Å; W350-S355 WeakPolarHBondContact CZ3-O 3.33Å; W350-P358 HydrophobicContact CD2-CB 4Å; W350-P358 HydrophobicContact CE3-CB 4.03Å; W350-P358 HydrophobicContact CH2-CB 4.22Å; W350-P358 HydrophobicContact CH2-CG 4.37Å; W350-P358 HydrophobicContact CZ2-CB 4.14Å; W350-P358 HydrophobicContact CZ3-CB 4.16Å; W350-P358 VanDerWaalsContact CZ3-N 3.28Å
351	H	90.4	Very high	90.3	Very high	56 Å²	56	49.8 Å²	49.8	26%	0.259	26%	0.259	S	S	.	.			trans	-74.6	132.2	166.3	-178.4	-117.8	0	0	0	108.3	N336 N353 I354 V359	N336-H351 PolarHBondContact ND2-CD2 2.82Å; N336-H351 PolarHBondContact ND2-NE2 3.08Å; N336-H351 VanDerWaalsContact ND2-NE2 3.11Å; H351-N353 PolarHBondContact O-N 2.71Å; H351-I354 HydrophobicContact CB-CB 4.39Å; H351-I354 HydrophobicContact CB-CD1 4.35Å; H351-I354 HydrophobicContact CB-CG1 4.46Å; H351-I354 PolarHBondContact O-N 3.2Å; H351-V359 HydrophobicContact CB-CG2 3.89Å
352	P	89.4	Confident	90.1	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.013	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-27.8	-172.6	-31.1	34.5	0	0	0	115.7	L289 L305 R318 Y331 N336 I338	L289-P352 HydrophobicContact CD1-CB 3.87Å; L289-P352 HydrophobicContact CD1-CG 3.91Å; L289-P352 HydrophobicContact CD2-CB 4.29Å; L289-P352 HydrophobicContact CD2-CG 4.27Å; L305-P352 HydrophobicContact CD2-CB 4.26Å; R318-P352 VanDerWaalsContact CD-O 3.28Å; R318-P352 WeakPolarHBondContact CD-O 3.14Å; R318-P352 PolarHBondContact NH1-O 2.98Å; Y331-P352 HydrophobicContact CD2-CG 4.43Å; Y331-P352 HydrophobicContact CE2-CG 3.73Å; N336-P352 WeakPolarHBondContact O-CD 3.35Å; N336-P352 WeakPolarHBondContact OD1-CG 3.07Å; I338-P352 HydrophobicContact CD1-CB 4.13Å; I338-P352 HydrophobicContact CD1-CG 4.19Å; I338-P352 HydrophobicContact CG1-CG 4.13Å
353	N	86.7	Confident	89.9	Confident	107 Å²	107	54.6 Å²	54.6	57%	0.572	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.7	-179.2	-65	-38.3	0	0	0	114.9	R318 H351	R318-N353 PolarHBondContact NH1-OD1 2.93Å; R318-N353 PolarHBondContact NH2-OD1 2.98Å; H351-N353 PolarHBondContact O-N 2.71Å
354	I	87.2	Confident	89.2	Confident	81 Å²	81	53.1 Å²	53.1	42%	0.415	28%	0.284	S	S	.	.			trans	-128.7	102.3	-177.7	-55.2	172.6	0	0	0	109.1	H351	H351-I354 HydrophobicContact CB-CB 4.39Å; H351-I354 HydrophobicContact CB-CD1 4.35Å; H351-I354 HydrophobicContact CB-CG1 4.46Å; H351-I354 PolarHBondContact O-N 3.2Å
355	S	85.9	Confident	88.8	Confident	31 Å²	31	52 Å²	52	22%	0.217	28%	0.278	C	S	.	.			trans	-103.3	-3.5	-178.9	72.1	0	0	0	0	115.1	E319 F320 W350	E319-S355 WeakPolarHBondContact O-CB 3.43Å; E319-S355 PolarHBondContact O-OG 3.18Å; F320-S355 VanDerWaalsContact CD1-CA 3.44Å; W350-S355 WeakPolarHBondContact CZ3-O 3.33Å
356	T	84.4	Confident	88.5	Confident	122 Å²	122	53.6 Å²	53.6	75%	0.748	29%	0.289	S	S	*	.	S	Bend	trans	-77.5	-26.2	-178.8	53.7	0	0	0	0	113.8
357	K	86.8	Confident	88.2	Confident	155 Å²	155	57.5 Å²	57.5	67%	0.674	30%	0.304	S	S	*	.	S	Bend	trans	-149.9	140.7	-178.6	-57.2	-177.2	-173.8	180	0	110
358	P	90.8	Very high	88	Confident	38 Å²	38	58.4 Å²	58.4	25%	0.247	31%	0.31	C	S	.	.			trans	-71.9	147	169.4	31.6	-34.7	0	0	0	110.3	R348 L349 W350 K361	R348-P358 HydrophobicContact CB-CB 4.06Å; R348-P358 HydrophobicContact CG-CB 4.33Å; L349-P358 CarbonylContact O-C 3.57Å; L349-P358 VanDerWaalsContact O-CA 3.3Å; L349-P358 WeakPolarHBondContact O-CA 3.32Å; L349-P358 WeakPolarHBondContact O-CB 3.24Å; W350-P358 HydrophobicContact CD2-CB 4Å; W350-P358 HydrophobicContact CE3-CB 4.03Å; W350-P358 HydrophobicContact CH2-CB 4.22Å; W350-P358 HydrophobicContact CH2-CG 4.37Å; W350-P358 HydrophobicContact CZ2-CB 4.14Å; W350-P358 HydrophobicContact CZ3-CB 4.16Å; W350-P358 VanDerWaalsContact CZ3-N 3.28Å; P358-K361 HydrophobicContact CG-CG 4.37Å
359	V	89.3	Confident	88	Confident	99 Å²	99	57.3 Å²	57.3	60%	0.6	31%	0.306	S	S	*	.	S	Bend	trans	-73.1	-38	175.1	-178.8	0	0	0	0	110.8	L349 H351	L349-V359 PolarHBondContact O-N 2.76Å; H351-V359 HydrophobicContact CB-CG2 3.89Å
360	G	86.9	Confident	87.8	Confident	8 Å²	8	59.2 Å²	59.2	8%	0.082	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.7	-179.4	0	0	0	0	0	112.4	L349	L349-G360 PolarHBondContact N-O 3.29Å; L349-G360 PolarHBondContact O-N 3.26Å
361	K	90.6	Very high	87.8	Confident	125 Å²	125	60 Å²	60	54%	0.543	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	123.3	176.9	-61.2	-179.3	-176.3	170.2	0	109.3	V346 I347 R348 P358 V363	V346-K361 HydrophobicContact CG1-CB 4.18Å; I347-K361 CarbonylContact O-C 3.53Å; I347-K361 WeakPolarHBondContact O-CA 3.47Å; R348-K361 HydrophobicContact CG-CG 4.37Å; P358-K361 HydrophobicContact CG-CG 4.37Å; K361-V363 HydrophobicContact CB-CG2 4.32Å
362	L	88.6	Confident	88	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.4	174.6	-43.7	167.8	0	0	0	107.4	I347 L349 I381 W393 L398	I347-L362 HydrophobicContact CB-CB 4.11Å; I347-L362 HydrophobicContact CB-CD1 4.32Å; I347-L362 HydrophobicContact CD1-CD1 4.48Å; I347-L362 HydrophobicContact CG2-CD1 4.12Å; I347-L362 PolarHBondContact N-O 3.38Å; I347-L362 VanDerWaalsContact N-O 3.11Å; I347-L362 PolarHBondContact O-N 3.02Å; L349-L362 HydrophobicContact CD2-CD1 4.43Å; L362-I381 HydrophobicContact CD1-CD1 3.84Å; L362-W393 HydrophobicContact CB-CD2 3.92Å; L362-W393 HydrophobicContact CB-CE3 3.73Å; L362-W393 HydrophobicContact CB-CH2 4.25Å; L362-W393 HydrophobicContact CB-CZ2 4.42Å; L362-W393 HydrophobicContact CB-CZ3 3.91Å; L362-W393 HydrophobicContact CD1-CB 3.77Å; L362-W393 HydrophobicContact CD1-CD2 4.12Å; L362-W393 HydrophobicContact CD1-CE3 4.49Å; L362-W393 HydrophobicContact CD1-CG 3.83Å; L362-W393 HydrophobicContact CD2-CE3 4.36Å; L362-W393 HydrophobicContact CG-CD2 4.49Å; L362-W393 HydrophobicContact CG-CE3 4.42Å; L362-L398 HydrophobicContact CD2-CB 3.8Å; L362-L398 HydrophobicContact CD2-CD2 3.97Å; L362-L398 VanDerWaalsContact CD2-O 3.25Å; L362-L398 WeakPolarHBondContact CD2-O 3.43Å
363	V	87.3	Confident	88.2	Confident	99 Å²	99	58 Å²	58	60%	0.6	31%	0.313	S	S	*	.			trans	-113.5	139.4	-168.9	-179.2	0	0	0	0	110.2	V346 K361 W393	V346-V363 HydrophobicContact CG1-CG2 4.1Å; V346-V363 HydrophobicContact CG2-CG2 4.35Å; K361-V363 HydrophobicContact CB-CG2 4.32Å; V363-W393 WeakPolarHBondContact O-CH2 3.46Å
364	G	76.8	Confident	88.4	Confident	18 Å²	18	54.1 Å²	54.1	19%	0.186	29%	0.294	C	S	.	.			trans	140.2	-4.1	165.6	0	0	0	0	0	116	M366 R391	G364-M366 VanDerWaalsContact O-CE 3.24Å; G364-M366 WeakPolarHBondContact O-CE 3.45Å; G364-M366 PolarHBondContact O-N 3.23Å; G364-R391 PolarHBondContact O-NH1 3.41Å; G364-R391 VanDerWaalsContact O-NH1 3.12Å; G364-R391 PolarHBondContact O-NH2 2.98Å
365	H	82.3	Confident	88.4	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.028	27%	0.274	C	S	.	.			trans	-61.5	130.8	166.9	-88.1	-64.3	0	0	0	109.4	K345 F367 I369 S383	K345-H365 HydrophobicContact CB-CB 4.38Å; K345-H365 VanDerWaalsContact CB-O 3.29Å; K345-H365 WeakPolarHBondContact CB-O 3.44Å; H365-F367 VanDerWaalsContact C-N 3.34Å; H365-I369 HydrophobicContact CB-CG1 4.46Å; H365-S383 PolarHBondContact NE2-OG 3.06Å
366	M	84.3	Confident	88.4	Confident	121 Å²	121	51.2 Å²	51.2	60%	0.596	28%	0.275	S	S	*	.	S	Bend	trans	-85.8	-9.7	-179.2	-68.8	-64.4	107.3	0	0	113.1	K345 G364	K345-M366 WeakPolarHBondContact CD-O 3.45Å; K345-M366 VanDerWaalsContact CE-O 3.28Å; K345-M366 WeakPolarHBondContact CE-O 3.45Å; K345-M366 PolarHBondContact NZ-O 2.79Å; G364-M366 VanDerWaalsContact O-CE 3.24Å; G364-M366 WeakPolarHBondContact O-CE 3.45Å; G364-M366 PolarHBondContact O-N 3.23Å
367	F	87.9	Confident	88.1	Confident	106 Å²	106	51.7 Å²	51.7	47%	0.465	27%	0.267	S	S	.	.	S	Bend	trans	-136.3	163.9	-175.5	-61.2	-88.5	0	0	0	110.6	H365 A387	H365-F367 VanDerWaalsContact C-N 3.34Å; F367-A387 HydrophobicContact CB-CB 4.05Å; F367-A387 HydrophobicContact CD1-CB 4.07Å; F367-A387 HydrophobicContact CD2-CB 3.29Å; F367-A387 HydrophobicContact CE1-CB 4.37Å; F367-A387 HydrophobicContact CE2-CB 3.65Å; F367-A387 HydrophobicContact CG-CB 3.53Å; F367-A387 HydrophobicContact CZ-CB 4.18Å
368	S	90.5	Very high	87.4	Confident	18 Å²	18	45.3 Å²	45.3	13%	0.126	24%	0.24	C	C	.	.			trans	-51.8	138	177.8	174.6	0	0	0	0	112	N327 D343 S385 S386	N327-S368 PolarHBondContact ND2-OG 3.4Å; D343-S368 WeakPolarHBondContact OD1-CB 3.34Å; D343-S368 PolarHBondContact OD1-OG 2.83Å; S368-S385 CarbonylContact O-C 3.57Å; S368-S385 VanDerWaalsContact O-CA 3.23Å; S368-S385 WeakPolarHBondContact O-CA 3.32Å; S368-S386 PolarHBondContact O-N 2.87Å
369	I	94.1	Very high	87.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.8	177.2	-60.5	153.5	0	0	0	107.8	N327 T328 G342 I347 H365 I372 L384	N327-I369 WeakPolarHBondContact CB-O 3.47Å; N327-I369 PolarHBondContact ND2-O 3.44Å; T328-I369 HydrophobicContact CG2-CG2 4.34Å; G342-I369 PolarHBondContact O-N 3.35Å; G342-I369 VanDerWaalsContact O-N 3.1Å; I347-I369 HydrophobicContact CG1-CD1 3.6Å; H365-I369 HydrophobicContact CB-CG1 4.46Å; I369-I372 HydrophobicContact CG2-CD1 3.97Å; I369-I372 HydrophobicContact CG2-CG1 3.74Å; I369-L384 CarbonylContact C-O 3.47Å; I369-L384 WeakPolarHBondContact CA-O 3.26Å
370	T	91.1	Very high	86.9	Confident	43 Å²	43	41.2 Å²	41.2	26%	0.264	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-41.8	-177.4	56	0	0	0	0	112.6	L384	T370-L384 PolarHBondContact N-O 3.22Å; T370-L384 PolarHBondContact OG1-O 3.07Å
371	E	92.4	Very high	87.1	Confident	23 Å²	23	40.9 Å²	40.9	11%	0.107	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152	176.8	-97.9	-64.6	-155.3	0	0	113.8	K282 T328 L384 M419	K282-E371 IonicContact NZ-OE1 3.91Å; K282-E371 PolarHBondContact NZ-OE1 2.95Å; K282-E371 IonicContact NZ-OE2 2.87Å; K282-E371 PolarHBondContact NZ-OE2 2.84Å; T328-E371 PolarHBondContact OG1-OE2 2.91Å; E371-L384 HydrophobicContact CB-CB 4.48Å; E371-L384 HydrophobicContact CB-CD2 4.45Å; E371-L384 PolarHBondContact N-O 3.31Å; E371-L384 PolarHBondContact O-N 3.37Å; E371-M419 HydrophobicContact CB-CB 4.11Å; E371-M419 HydrophobicContact CB-CE 4.04Å; E371-M419 WeakPolarHBondContact O-CE 3.37Å
372	I	94.8	Very high	87.2	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138	175.8	-55.2	175	0	0	0	109.6	T328 C330 V339 I347 I369 I381 V382	T328-I372 HydrophobicContact CG2-CB 4.15Å; T328-I372 HydrophobicContact CG2-CD1 3.98Å; T328-I372 HydrophobicContact CG2-CG1 3.67Å; C330-I372 VanDerWaalsContact SG-CG2 3.59Å; V339-I372 HydrophobicContact CG1-CD1 4.23Å; V339-I372 HydrophobicContact CG1-CG2 3.96Å; I347-I372 HydrophobicContact CG1-CD1 4.29Å; I347-I372 HydrophobicContact CG2-CD1 4.12Å; I369-I372 HydrophobicContact CG2-CD1 3.97Å; I369-I372 HydrophobicContact CG2-CG1 3.74Å; I372-I381 HydrophobicContact CG2-CG2 3.61Å; I372-V382 WeakPolarHBondContact CA-O 3.44Å
373	V	93.1	Very high	87.4	Confident	16 Å²	16	34.8 Å²	34.8	10%	0.097	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.1	171.9	-58.4	0	0	0	0	111.1	V382 M419 L428	V373-V382 HydrophobicContact CG2-CB 3.86Å; V373-V382 PolarHBondContact N-O 2.77Å; V373-V382 PolarHBondContact O-N 3.09Å; V373-M419 HydrophobicContact CG1-CB 4.47Å; V373-M419 HydrophobicContact CG1-CE 4.38Å; V373-M419 HydrophobicContact CG1-CG 4.18Å; V373-M419 VanDerWaalsContact CG1-O 3.28Å; V373-M419 WeakPolarHBondContact CG1-O 3.41Å; V373-M419 HydrophobicContact CG2-CE 4.14Å; V373-M419 HydrophobicContact CG2-CG 4.2Å; V373-M419 HydrophobicContact CG2-SD 4.45Å; V373-L428 HydrophobicContact CG2-CD1 3.62Å
374	T	91.4	Very high	87.6	Confident	25 Å²	25	30.1 Å²	30.1	15%	0.153	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.7	177.2	37.3	0	0	0	0	111.8	Y331 C332 V339 I381	Y331-T374 PolarHBondContact O-OG1 3.18Å; C332-T374 HydrophobicContact CB-CG2 3.88Å; V339-T374 HydrophobicContact CG2-CG2 4.36Å; T374-I381 HydrophobicContact CG2-CG1 4.4Å
375	N	87.8	Confident	88.2	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	100.7	160.3	171.5	21.1	0	0	0	108.9	K377 D378 Q379 H380 Y421	N375-K377 PolarHBondContact O-N 2.9Å; N375-K377 VanDerWaalsContact OD1-CB 3.29Å; N375-K377 WeakPolarHBondContact OD1-CB 3.42Å; N375-K377 PolarHBondContact OD1-N 3.01Å; N375-D378 WeakPolarHBondContact ND2-CB 3.28Å; N375-D378 PolarHBondContact ND2-OD2 2.9Å; N375-Q379 WeakPolarHBondContact O-CA 3.43Å; N375-Q379 PolarHBondContact O-N 3.44Å; N375-H380 HydrophobicContact CB-CB 4.39Å; N375-H380 PolarHBondContact N-O 3.15Å; N375-H380 PolarHBondContact O-N 2.91Å; N375-Y421 HydrophobicContact CB-CD1 3.96Å; N375-Y421 HydrophobicContact CB-CE1 3.65Å; N375-Y421 HydrophobicContact CB-CE2 4.39Å; N375-Y421 HydrophobicContact CB-CG 4.47Å; N375-Y421 VanDerWaalsContact CG-CE1 3.48Å; N375-Y421 VanDerWaalsContact OD1-CE1 3.24Å; N375-Y421 WeakPolarHBondContact OD1-CE1 3.37Å
376	E	84.6	Confident	88.4	Confident	49 Å²	49	31.7 Å²	31.7	23%	0.229	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.3	177.4	-64.3	-65.5	168.5	0	0	113.7	C332 V333 K334	C332-E376 VanDerWaalsContact CA-OE1 3.26Å; C332-E376 WeakPolarHBondContact CA-OE1 3.34Å; C332-E376 PolarHBondContact SG-OE2 2.88Å; V333-E376 VanDerWaalsContact N-CD 3.27Å; V333-E376 PolarHBondContact N-OE1 2.78Å; V333-E376 PolarHBondContact N-OE2 3.03Å; K334-E376 WeakPolarHBondContact CD-O 3.46Å; K334-E376 WeakPolarHBondContact CE-O 3.28Å; K334-E376 WeakPolarHBondContact CG-O 3.17Å; K334-E376 PolarHBondContact N-OE2 3.48Å; K334-E376 PolarHBondContact NZ-O 2.83Å
377	K	79.8	Confident	88.3	Confident	133 Å²	133	27.9 Å²	27.9	58%	0.578	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-53	-178.7	-173.4	-174.2	175.4	-175	0	110.5	K334 N375	K334-K377 PolarHBondContact NZ-O 3.43Å; N375-K377 PolarHBondContact O-N 2.9Å; N375-K377 VanDerWaalsContact OD1-CB 3.29Å; N375-K377 WeakPolarHBondContact OD1-CB 3.42Å; N375-K377 PolarHBondContact OD1-N 3.01Å
378	D	71.3	Confident	88.1	Confident	20 Å²	20	24.7 Å²	24.7	11%	0.107	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	7.5	-170.7	-46.1	-76.5	0	0	0	112.6	N375 H380 R442	N375-D378 WeakPolarHBondContact ND2-CB 3.28Å; N375-D378 PolarHBondContact ND2-OD2 2.9Å; D378-H380 VanDerWaalsContact C-N 3.27Å; D378-H380 PolarHBondContact O-CD2 3.13Å; D378-H380 PolarHBondContact O-N 3.46Å; D378-H380 PolarHBondContact O-NE2 2.94Å; D378-R442 IonicContact OD1-CZ 2.79Å; D378-R442 VanDerWaalsContact OD1-CZ 3.24Å; D378-R442 IonicContact OD1-NE 2.98Å; D378-R442 PolarHBondContact OD1-NE 3.45Å; D378-R442 IonicContact OD1-NH2 3.94Å; D378-R442 PolarHBondContact OD1-NH2 2.85Å
379	Q	83.6	Confident	87.7	Confident	42 Å²	42	24.6 Å²	24.6	20%	0.196	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	25.1	-178.5	-51.9	-172.5	24.8	0	0	115.1	K334 N375 I395 Q396	K334-Q379 HydrophobicContact CB-CG 4.09Å; K334-Q379 HydrophobicContact CD-CG 4.25Å; N375-Q379 WeakPolarHBondContact O-CA 3.43Å; N375-Q379 PolarHBondContact O-N 3.44Å; Q379-I395 WeakPolarHBondContact O-CB 3.34Å; Q379-I395 WeakPolarHBondContact O-CD1 3.27Å; Q379-I395 WeakPolarHBondContact O-CG1 3.39Å; Q379-I395 PolarHBondContact O-N 2.89Å; Q379-Q396 VanDerWaalsContact CD-NE2 3.27Å
380	H	86.9	Confident	87.4	Confident	10 Å²	10	24.6 Å²	24.6	5%	0.046	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148.5	179.4	-58.4	166	0	0	0	113.1	L113 F115 N375 D378 V392 W393	L113-H380 PolarHBondContact O-CE1 2.96Å; F115-H380 HydrophobicContact CE2-CB 4.32Å; F115-H380 AromaticContact CE2-ND1 3.4Å; F115-H380 WeakPolarHBondContact CE2-ND1 3.45Å; F115-H380 AromaticContact CZ-ND1 3.45Å; F115-H380 WeakPolarHBondContact CZ-ND1 3.27Å; N375-H380 HydrophobicContact CB-CB 4.39Å; N375-H380 PolarHBondContact N-O 3.15Å; N375-H380 PolarHBondContact O-N 2.91Å; D378-H380 VanDerWaalsContact C-N 3.27Å; D378-H380 PolarHBondContact O-CD2 3.13Å; D378-H380 PolarHBondContact O-N 3.46Å; D378-H380 PolarHBondContact O-NE2 2.94Å; H380-V392 HydrophobicContact CB-CG1 4.13Å; H380-W393 CarbonylContact C-O 3.53Å; H380-W393 VanDerWaalsContact CA-O 3.31Å; H380-W393 WeakPolarHBondContact CA-O 3.27Å
381	I	91	Very high	87.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.9	169.9	-67.8	162.3	0	0	0	109.1	V339 L349 L362 I372 T374 V392 W393 I395	V339-I381 HydrophobicContact CB-CD1 4.36Å; V339-I381 HydrophobicContact CG1-CD1 3.68Å; V339-I381 HydrophobicContact CG1-CG1 4.18Å; V339-I381 HydrophobicContact CG1-CG2 4.07Å; V339-I381 HydrophobicContact CG2-CD1 3.7Å; V339-I381 HydrophobicContact CG2-CG1 4.03Å; L349-I381 HydrophobicContact CD2-CD1 3.52Å; L362-I381 HydrophobicContact CD1-CD1 3.84Å; I372-I381 HydrophobicContact CG2-CG2 3.61Å; T374-I381 HydrophobicContact CG2-CG1 4.4Å; I381-V392 CarbonylContact O-C 3.49Å; I381-V392 WeakPolarHBondContact O-CA 3.46Å; I381-W393 HydrophobicContact CB-CB 4.42Å; I381-W393 PolarHBondContact N-O 3.34Å; I381-W393 PolarHBondContact O-N 2.81Å; I381-I395 HydrophobicContact CD1-CD1 4.03Å; I381-I395 HydrophobicContact CD1-CG1 3.48Å; I381-I395 VanDerWaalsContact CD1-CG1 3.48Å; I381-I395 HydrophobicContact CG1-CD1 3.91Å; I381-I395 HydrophobicContact CG1-CG1 3.73Å
382	V	91.6	Very high	86.8	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.9	168.9	-170.5	0	0	0	0	109	I372 V373 V392 M419 L428 L440	I372-V382 WeakPolarHBondContact CA-O 3.44Å; V373-V382 HydrophobicContact CG2-CB 3.86Å; V373-V382 PolarHBondContact N-O 2.77Å; V373-V382 PolarHBondContact O-N 3.09Å; V382-V392 HydrophobicContact CG2-CG2 4.34Å; V382-M419 HydrophobicContact CG1-SD 4.24Å; V382-M419 WeakPolarHBondContact O-CE 3.39Å; V382-L428 HydrophobicContact CB-CD1 4.32Å; V382-L428 HydrophobicContact CG1-CD1 4.03Å; V382-L428 HydrophobicContact CG1-CD2 3.89Å; V382-L440 HydrophobicContact CG2-CD2 3.93Å
383	S	92.7	Very high	86.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.3	-172.8	61	0	0	0	0	111.2	H365 F390 R391 W393	H365-S383 PolarHBondContact NE2-OG 3.06Å; S383-F390 CarbonylContact O-C 3.59Å; S383-F390 VanDerWaalsContact O-CA 3.31Å; S383-F390 WeakPolarHBondContact O-CA 3.44Å; S383-R391 PolarHBondContact N-O 3.2Å; S383-R391 PolarHBondContact O-N 2.88Å; S383-R391 PolarHBondContact OG-O 3Å; S383-W393 PolarHBondContact OG-NE1 3.02Å
384	L	91.5	Very high	85.8	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.4	-176.4	172	62.5	0	0	0	110.1	I369 T370 E371 F390 I416 M419	I369-L384 CarbonylContact C-O 3.47Å; I369-L384 WeakPolarHBondContact CA-O 3.26Å; T370-L384 PolarHBondContact N-O 3.22Å; T370-L384 PolarHBondContact OG1-O 3.07Å; E371-L384 HydrophobicContact CB-CB 4.48Å; E371-L384 HydrophobicContact CB-CD2 4.45Å; E371-L384 PolarHBondContact N-O 3.31Å; E371-L384 PolarHBondContact O-N 3.37Å; L384-F390 HydrophobicContact CB-CD1 4.43Å; L384-F390 HydrophobicContact CB-CE1 4.46Å; L384-F390 HydrophobicContact CD1-CD1 4.04Å; L384-F390 HydrophobicContact CD1-CD2 4.23Å; L384-F390 HydrophobicContact CD1-CE1 3.78Å; L384-F390 HydrophobicContact CD1-CE2 3.98Å; L384-F390 HydrophobicContact CD1-CG 4.26Å; L384-F390 HydrophobicContact CD1-CZ 3.75Å; L384-F390 HydrophobicContact CD2-CE1 4.4Å; L384-F390 HydrophobicContact CG-CE1 4.43Å; L384-I416 HydrophobicContact CD2-CB 3.91Å; L384-I416 HydrophobicContact CD2-CG2 3.58Å; L384-M419 HydrophobicContact CB-CE 3.72Å; L384-M419 HydrophobicContact CB-SD 4.06Å
385	S	90.3	Very high	85.4	Confident	3 Å²	3	23 Å²	23	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	159.1	173.7	64.2	0	0	0	0	112.8	S368 A387 K388 V389	S368-S385 CarbonylContact O-C 3.57Å; S368-S385 VanDerWaalsContact O-CA 3.23Å; S368-S385 WeakPolarHBondContact O-CA 3.32Å; S385-A387 PolarHBondContact O-N 3.37Å; S385-A387 VanDerWaalsContact O-N 3.11Å; S385-K388 PolarHBondContact O-N 3.33Å; S385-V389 PolarHBondContact N-O 2.94Å; S385-V389 VanDerWaalsContact OG-CB 3.28Å; S385-V389 WeakPolarHBondContact OG-CB 3.42Å; S385-V389 PolarHBondContact OG-N 2.92Å; S385-V389 PolarHBondContact OG-O 3.45Å
386	S	86.6	Confident	85	Confident	54 Å²	54	28.8 Å²	28.8	38%	0.378	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.7	177.3	60.8	0	0	0	0	114.3	S368 K388	S368-S386 PolarHBondContact O-N 2.87Å; S386-K388 VanDerWaalsContact C-N 3.26Å; S386-K388 PolarHBondContact O-N 3.43Å
387	A	82.3	Confident	84.4	Confident	41 Å²	41	29.3 Å²	29.3	34%	0.339	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	15.9	171.6	0	0	0	0	0	114.1	F367 S385 V389	F367-A387 HydrophobicContact CB-CB 4.05Å; F367-A387 HydrophobicContact CD1-CB 4.07Å; F367-A387 HydrophobicContact CD2-CB 3.29Å; F367-A387 HydrophobicContact CE1-CB 4.37Å; F367-A387 HydrophobicContact CE2-CB 3.65Å; F367-A387 HydrophobicContact CG-CB 3.53Å; F367-A387 HydrophobicContact CZ-CB 4.18Å; S385-A387 PolarHBondContact O-N 3.37Å; S385-A387 VanDerWaalsContact O-N 3.11Å; A387-V389 HydrophobicContact CB-CG2 4.2Å; A387-V389 PolarHBondContact O-N 2.85Å
388	K	82.4	Confident	84.4	Confident	38 Å²	38	26.4 Å²	26.4	17%	0.165	14%	0.143	C	C	.	.	S	Bend	trans	59.1	22.5	-177.8	-39.4	-174.5	-134.6	-179.5	0	114.6	S385 S386 D406 Q408 M414	S385-K388 PolarHBondContact O-N 3.33Å; S386-K388 VanDerWaalsContact C-N 3.26Å; S386-K388 PolarHBondContact O-N 3.43Å; K388-D406 HydrophobicContact CB-CB 4.45Å; K388-D406 PolarHBondContact O-N 3.08Å; K388-Q408 PolarHBondContact NZ-O 2.99Å; K388-M414 WeakPolarHBondContact CD-O 3.38Å; K388-M414 WeakPolarHBondContact CE-O 3.44Å; K388-M414 PolarHBondContact NZ-O 2.67Å
389	V	83.6	Confident	84.5	Confident	17 Å²	17	27.6 Å²	27.6	10%	0.103	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.1	170.9	-163.7	0	0	0	0	108.1	S385 A387 V403	S385-V389 PolarHBondContact N-O 2.94Å; S385-V389 VanDerWaalsContact OG-CB 3.28Å; S385-V389 WeakPolarHBondContact OG-CB 3.42Å; S385-V389 PolarHBondContact OG-N 2.92Å; S385-V389 PolarHBondContact OG-O 3.45Å; A387-V389 HydrophobicContact CB-CG2 4.2Å; A387-V389 PolarHBondContact O-N 2.85Å; V389-V403 HydrophobicContact CG1-CG1 3.45Å; V389-V403 VanDerWaalsContact CG1-CG1 3.45Å
390	F	87.1	Confident	84	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.2	168.8	-63.5	-98	0	0	0	109.1	S383 L384 V403 F404 D406 I416 M419 L428 T430	S383-F390 CarbonylContact O-C 3.59Å; S383-F390 VanDerWaalsContact O-CA 3.31Å; S383-F390 WeakPolarHBondContact O-CA 3.44Å; L384-F390 HydrophobicContact CB-CD1 4.43Å; L384-F390 HydrophobicContact CB-CE1 4.46Å; L384-F390 HydrophobicContact CD1-CD1 4.04Å; L384-F390 HydrophobicContact CD1-CD2 4.23Å; L384-F390 HydrophobicContact CD1-CE1 3.78Å; L384-F390 HydrophobicContact CD1-CE2 3.98Å; L384-F390 HydrophobicContact CD1-CG 4.26Å; L384-F390 HydrophobicContact CD1-CZ 3.75Å; L384-F390 HydrophobicContact CD2-CE1 4.4Å; L384-F390 HydrophobicContact CG-CE1 4.43Å; F390-V403 WeakPolarHBondContact O-CA 3.38Å; F390-F404 HydrophobicContact CB-CD1 3.98Å; F390-F404 HydrophobicContact CB-CD2 3.73Å; F390-F404 HydrophobicContact CB-CE1 3.73Å; F390-F404 HydrophobicContact CB-CE2 3.45Å; F390-F404 VanDerWaalsContact CB-CE2 3.45Å; F390-F404 HydrophobicContact CB-CG 3.98Å; F390-F404 HydrophobicContact CB-CZ 3.46Å; F390-F404 VanDerWaalsContact CB-CZ 3.46Å; F390-F404 AromaticContact CD1-CE2 3.96Å; F390-F404 HydrophobicContact CD1-CE2 3.96Å; F390-F404 HydrophobicContact CD1-CZ 4.01Å; F390-F404 AromaticContact CD2-CD2 3.72Å; F390-F404 HydrophobicContact CD2-CD2 3.72Å; F390-F404 AromaticContact CD2-CE2 3.46Å; F390-F404 HydrophobicContact CD2-CE2 3.46Å; F390-F404 VanDerWaalsContact CD2-CE2 3.46Å; F390-F404 HydrophobicContact CD2-CZ 4.26Å; F390-F404 HydrophobicContact CE2-CE2 4.16Å; F390-F404 AromaticContact CG-CD2 3.89Å; F390-F404 HydrophobicContact CG-CD2 3.89Å; F390-F404 HydrophobicContact CG-CE1 4.43Å; F390-F404 AromaticContact CG-CE2 3.34Å; F390-F404 HydrophobicContact CG-CE2 3.34Å; F390-F404 AromaticContact CG-CZ 3.66Å; F390-F404 HydrophobicContact CG-CZ 3.66Å; F390-F404 PolarHBondContact N-O 2.78Å; F390-F404 PolarHBondContact O-N 3.06Å; F390-D406 HydrophobicContact CE2-CB 4.43Å; F390-I416 HydrophobicContact CE2-CD1 4.02Å; F390-I416 HydrophobicContact CZ-CD1 3.73Å; F390-M419 HydrophobicContact CD1-SD 4.01Å; F390-M419 HydrophobicContact CE1-SD 3.82Å; F390-L428 HydrophobicContact CD1-CD2 4.06Å; F390-L428 HydrophobicContact CE1-CD2 4.07Å; F390-T430 HydrophobicContact CE1-CG2 3.72Å; F390-T430 HydrophobicContact CZ-CG2 3.84Å
391	R	85.4	Confident	83.1	Confident	36 Å²	36	29.9 Å²	29.9	14%	0.136	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.7	170.1	-67.6	-173.1	177.2	-156.8	3.7	111.7	G364 S383 W393 L400 Q402 V403	G364-R391 PolarHBondContact O-NH1 3.41Å; G364-R391 VanDerWaalsContact O-NH1 3.12Å; G364-R391 PolarHBondContact O-NH2 2.98Å; S383-R391 PolarHBondContact N-O 3.2Å; S383-R391 PolarHBondContact O-N 2.88Å; S383-R391 PolarHBondContact OG-O 3Å; R391-W393 HydrophobicContact CB-CZ2 4.11Å; R391-W393 HydrophobicContact CG-CZ2 4.49Å; R391-L400 HydrophobicContact CB-CD1 3.89Å; R391-L400 HydrophobicContact CG-CD1 4.04Å; R391-Q402 WeakPolarHBondContact CA-O 3.44Å; R391-V403 HydrophobicContact CG-CG1 4.28Å; R391-V403 HydrophobicContact CG-CG2 4.18Å
392	V	85.8	Confident	81.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.2	171.9	-172.4	0	0	0	0	107.3	F115 H380 I381 V382 L401 Q402 F404	F115-V392 HydrophobicContact CD2-CG1 3.96Å; F115-V392 HydrophobicContact CD2-CG2 4.2Å; F115-V392 HydrophobicContact CE2-CG1 3.89Å; H380-V392 HydrophobicContact CB-CG1 4.13Å; I381-V392 CarbonylContact O-C 3.49Å; I381-V392 WeakPolarHBondContact O-CA 3.46Å; V382-V392 HydrophobicContact CG2-CG2 4.34Å; V392-L401 HydrophobicContact CB-CB 4.35Å; V392-L401 HydrophobicContact CG1-CB 4.25Å; V392-L401 HydrophobicContact CG1-CD1 4.24Å; V392-L401 PolarHBondContact O-N 3.08Å; V392-Q402 HydrophobicContact CB-CB 3.74Å; V392-Q402 HydrophobicContact CG2-CB 3.82Å; V392-Q402 PolarHBondContact N-O 3.1Å; V392-Q402 PolarHBondContact O-N 3.49Å; V392-F404 HydrophobicContact CG2-CE1 4.28Å
393	W	84.7	Confident	81.2	Confident	6 Å²	6	33.8 Å²	33.8	2%	0.023	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.6	178.7	-45.8	81.5	0	0	0	109.4	I347 L362 V363 H380 I381 S383 R391 S399 L400	I347-W393 HydrophobicContact CD1-CZ2 4.27Å; I347-W393 VanDerWaalsContact CD1-NE1 3.33Å; L362-W393 HydrophobicContact CB-CD2 3.92Å; L362-W393 HydrophobicContact CB-CE3 3.73Å; L362-W393 HydrophobicContact CB-CH2 4.25Å; L362-W393 HydrophobicContact CB-CZ2 4.42Å; L362-W393 HydrophobicContact CB-CZ3 3.91Å; L362-W393 HydrophobicContact CD1-CB 3.77Å; L362-W393 HydrophobicContact CD1-CD2 4.12Å; L362-W393 HydrophobicContact CD1-CE3 4.49Å; L362-W393 HydrophobicContact CD1-CG 3.83Å; L362-W393 HydrophobicContact CD2-CE3 4.36Å; L362-W393 HydrophobicContact CG-CD2 4.49Å; L362-W393 HydrophobicContact CG-CE3 4.42Å; V363-W393 WeakPolarHBondContact O-CH2 3.46Å; H380-W393 CarbonylContact C-O 3.53Å; H380-W393 VanDerWaalsContact CA-O 3.31Å; H380-W393 WeakPolarHBondContact CA-O 3.27Å; I381-W393 HydrophobicContact CB-CB 4.42Å; I381-W393 PolarHBondContact N-O 3.34Å; I381-W393 PolarHBondContact O-N 2.81Å; S383-W393 PolarHBondContact OG-NE1 3.02Å; R391-W393 HydrophobicContact CB-CZ2 4.11Å; R391-W393 HydrophobicContact CG-CZ2 4.49Å; W393-S399 VanDerWaalsContact CA-O 3.28Å; W393-S399 WeakPolarHBondContact CA-O 3.22Å; W393-S399 WeakPolarHBondContact CB-O 3.35Å; W393-L400 HydrophobicContact CD2-CD1 3.85Å; W393-L400 HydrophobicContact CE3-CB 3.77Å; W393-L400 HydrophobicContact CE3-CD1 3.79Å; W393-L400 HydrophobicContact CE3-CG 4.36Å; W393-L400 HydrophobicContact CH2-CD1 3.99Å; W393-L400 HydrophobicContact CZ2-CD1 4.03Å; W393-L400 HydrophobicContact CZ3-CB 3.71Å; W393-L400 HydrophobicContact CZ3-CD1 3.87Å; W393-L400 HydrophobicContact CZ3-CD2 4.47Å; W393-L400 HydrophobicContact CZ3-CG 4.22Å
394	D	80.9	Confident	80.2	Confident	17 Å²	17	34.2 Å²	34.2	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	146.6	165.3	172.5	32.7	0	0	0	110.4	Q396 T397 L398 S399 L401	D394-Q396 VanDerWaalsContact CG-N 3.28Å; D394-Q396 PolarHBondContact OD1-N 2.88Å; D394-Q396 PolarHBondContact OD2-N 2.85Å; D394-T397 WeakPolarHBondContact CB-OG1 2.99Å; D394-T397 WeakPolarHBondContact OD2-CB 3.48Å; D394-T397 WeakPolarHBondContact OD2-CG2 3.2Å; D394-T397 PolarHBondContact OD2-N 3.48Å; D394-T397 PolarHBondContact OD2-OG1 2.97Å; D394-L398 WeakPolarHBondContact O-CA 3.43Å; D394-S399 PolarHBondContact N-O 3.45Å; D394-L401 HydrophobicContact CB-CD1 4Å; D394-L401 HydrophobicContact CB-CD2 4.42Å; D394-L401 HydrophobicContact CB-CG 4.13Å
395	I	82.9	Confident	79.5	Confident	16 Å²	16	39.9 Å²	39.9	8%	0.082	22%	0.216	C	C	.	.	S	Bend	trans	-80.7	-30.6	173.4	-69.5	172.4	0	0	0	111.5	C332 A335 V337 L349 Q379 I381 L398	C332-I395 HydrophobicContact CB-CD1 3.78Å; A335-I395 HydrophobicContact CB-CD1 4.16Å; A335-I395 HydrophobicContact CB-CG2 3.7Å; V337-I395 HydrophobicContact CG2-CD1 4.03Å; V337-I395 HydrophobicContact CG2-CG2 3.98Å; L349-I395 HydrophobicContact CD1-CG2 4.36Å; Q379-I395 WeakPolarHBondContact O-CB 3.34Å; Q379-I395 WeakPolarHBondContact O-CD1 3.27Å; Q379-I395 WeakPolarHBondContact O-CG1 3.39Å; Q379-I395 PolarHBondContact O-N 2.89Å; I381-I395 HydrophobicContact CD1-CD1 4.03Å; I381-I395 HydrophobicContact CD1-CG1 3.48Å; I381-I395 VanDerWaalsContact CD1-CG1 3.48Å; I381-I395 HydrophobicContact CG1-CD1 3.91Å; I381-I395 HydrophobicContact CG1-CG1 3.73Å; I395-L398 WeakPolarHBondContact O-CD2 3.44Å
396	Q	80.9	Confident	78.6	Confident	121 Å²	121	40.8 Å²	40.8	57%	0.565	22%	0.221	S	C	*	.	S	Bend	trans	-80.3	-56.8	-171.7	-57	-169.7	7	0	0	112.3	Q379 D394 L398	Q379-Q396 VanDerWaalsContact CD-NE2 3.27Å; D394-Q396 VanDerWaalsContact CG-N 3.28Å; D394-Q396 PolarHBondContact OD1-N 2.88Å; D394-Q396 PolarHBondContact OD2-N 2.85Å; Q396-L398 VanDerWaalsContact C-N 3.27Å; Q396-L398 PolarHBondContact O-N 3.29Å
397	T	71.4	Confident	77.1	Confident	61 Å²	61	43.2 Å²	43.2	37%	0.374	24%	0.238	S	C	.	.	S	Bend	trans	-76.9	-10.4	176.4	59.9	0	0	0	0	113.6	D394 S399	D394-T397 WeakPolarHBondContact CB-OG1 2.99Å; D394-T397 WeakPolarHBondContact OD2-CB 3.48Å; D394-T397 WeakPolarHBondContact OD2-CG2 3.2Å; D394-T397 PolarHBondContact OD2-N 3.48Å; D394-T397 PolarHBondContact OD2-OG1 2.97Å; T397-S399 PolarHBondContact O-N 2.96Å; T397-S399 VanDerWaalsContact O-N 3.12Å; T397-S399 VanDerWaalsContact OG1-CB 3.3Å; T397-S399 WeakPolarHBondContact OG1-CB 3.17Å; T397-S399 PolarHBondContact OG1-N 3.19Å; T397-S399 PolarHBondContact OG1-OG 3.29Å
398	L	78.9	Confident	75.8	Confident	72 Å²	72	46.4 Å²	46.4	38%	0.377	25%	0.245	S	C	.	.			trans	55.6	20.2	-170.5	-55.3	177.1	0	0	0	113.9	L349 L362 D394 I395 Q396	L349-L398 HydrophobicContact CD1-CD2 3.37Å; L362-L398 HydrophobicContact CD2-CB 3.8Å; L362-L398 HydrophobicContact CD2-CD2 3.97Å; L362-L398 VanDerWaalsContact CD2-O 3.25Å; L362-L398 WeakPolarHBondContact CD2-O 3.43Å; D394-L398 WeakPolarHBondContact O-CA 3.43Å; I395-L398 WeakPolarHBondContact O-CD2 3.44Å; Q396-L398 VanDerWaalsContact C-N 3.27Å; Q396-L398 PolarHBondContact O-N 3.29Å
399	S	73.3	Confident	74.1	Confident	44 Å²	44	47.2 Å²	47.2	31%	0.308	27%	0.265	S	S	.	.			trans	-88.8	161.8	-171.2	72.6	0	0	0	0	113.6	W393 D394 T397	W393-S399 VanDerWaalsContact CA-O 3.28Å; W393-S399 WeakPolarHBondContact CA-O 3.22Å; W393-S399 WeakPolarHBondContact CB-O 3.35Å; D394-S399 PolarHBondContact N-O 3.45Å; T397-S399 PolarHBondContact O-N 2.96Å; T397-S399 VanDerWaalsContact O-N 3.12Å; T397-S399 VanDerWaalsContact OG1-CB 3.3Å; T397-S399 WeakPolarHBondContact OG1-CB 3.17Å; T397-S399 PolarHBondContact OG1-N 3.19Å; T397-S399 PolarHBondContact OG1-OG 3.29Å
400	L	74.1	Confident	72.2	Confident	72 Å²	72	49.2 Å²	49.2	38%	0.377	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	98.2	174.3	178.4	58.7	0	0	0	110	R391 W393 Q402 V403	R391-L400 HydrophobicContact CB-CD1 3.89Å; R391-L400 HydrophobicContact CG-CD1 4.04Å; W393-L400 HydrophobicContact CD2-CD1 3.85Å; W393-L400 HydrophobicContact CE3-CB 3.77Å; W393-L400 HydrophobicContact CE3-CD1 3.79Å; W393-L400 HydrophobicContact CE3-CG 4.36Å; W393-L400 HydrophobicContact CH2-CD1 3.99Å; W393-L400 HydrophobicContact CZ2-CD1 4.03Å; W393-L400 HydrophobicContact CZ3-CB 3.71Å; W393-L400 HydrophobicContact CZ3-CD1 3.87Å; W393-L400 HydrophobicContact CZ3-CD2 4.47Å; W393-L400 HydrophobicContact CZ3-CG 4.22Å; L400-Q402 WeakPolarHBondContact CD1-O 3.41Å; L400-V403 HydrophobicContact CD1-CG2 4.26Å; L400-V403 HydrophobicContact CD2-CG2 3.86Å; L400-V403 HydrophobicContact CG-CG2 4.29Å
401	L	66.8	Low	69.8	Low	28 Å²	28	56.3 Å²	56.3	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-38.1	178.6	-66.4	-177.3	0	0	0	113.2	V114 V392 D394	V114-L401 HydrophobicContact CG2-CB 4.19Å; V392-L401 HydrophobicContact CB-CB 4.35Å; V392-L401 HydrophobicContact CG1-CB 4.25Å; V392-L401 HydrophobicContact CG1-CD1 4.24Å; V392-L401 PolarHBondContact O-N 3.08Å; D394-L401 HydrophobicContact CB-CD1 4Å; D394-L401 HydrophobicContact CB-CD2 4.42Å; D394-L401 HydrophobicContact CB-CG 4.13Å
402	Q	66.7	Low	68.2	Low	32 Å²	32	58.1 Å²	58.1	15%	0.15	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149.9	-174.7	-147.8	178.8	25.9	0	0	114.4	V114 F115 R391 V392 L400 F404	V114-Q402 HydrophobicContact CG1-CB 3.7Å; V114-Q402 VanDerWaalsContact CG1-CD 3.48Å; V114-Q402 HydrophobicContact CG1-CG 3.5Å; V114-Q402 VanDerWaalsContact CG1-CG 3.5Å; F115-Q402 PolarHBondContact O-NE2 3.24Å; F115-Q402 PolarHBondContact O-OE1 2.62Å; R391-Q402 WeakPolarHBondContact CA-O 3.44Å; V392-Q402 HydrophobicContact CB-CB 3.74Å; V392-Q402 HydrophobicContact CG2-CB 3.82Å; V392-Q402 PolarHBondContact N-O 3.1Å; V392-Q402 PolarHBondContact O-N 3.49Å; L400-Q402 WeakPolarHBondContact CD1-O 3.41Å; Q402-F404 HydrophobicContact CG-CD1 4.35Å
403	V	77	Confident	66.6	Low	51 Å²	51	63.3 Å²	63.3	31%	0.309	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.1	161.7	-168.7	0	0	0	0	109.1	V389 F390 R391 L400	V389-V403 HydrophobicContact CG1-CG1 3.45Å; V389-V403 VanDerWaalsContact CG1-CG1 3.45Å; F390-V403 WeakPolarHBondContact O-CA 3.38Å; R391-V403 HydrophobicContact CG-CG1 4.28Å; R391-V403 HydrophobicContact CG-CG2 4.18Å; L400-V403 HydrophobicContact CD1-CG2 4.26Å; L400-V403 HydrophobicContact CD2-CG2 3.86Å; L400-V403 HydrophobicContact CG-CG2 4.29Å
404	F	71.4	Confident	65.5	Low	9 Å²	9	66.1 Å²	66.1	4%	0.039	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.8	168	65.9	-94	0	0	0	112.6	V117 F390 V392 Q402 L428 Y438	V117-F404 HydrophobicContact CG2-CD2 4.34Å; V117-F404 HydrophobicContact CG2-CE2 4.24Å; V117-F404 HydrophobicContact CG2-CZ 4.34Å; F390-F404 HydrophobicContact CB-CD1 3.98Å; F390-F404 HydrophobicContact CB-CD2 3.73Å; F390-F404 HydrophobicContact CB-CE1 3.73Å; F390-F404 HydrophobicContact CB-CE2 3.45Å; F390-F404 VanDerWaalsContact CB-CE2 3.45Å; F390-F404 HydrophobicContact CB-CG 3.98Å; F390-F404 HydrophobicContact CB-CZ 3.46Å; F390-F404 VanDerWaalsContact CB-CZ 3.46Å; F390-F404 AromaticContact CD1-CE2 3.96Å; F390-F404 HydrophobicContact CD1-CE2 3.96Å; F390-F404 HydrophobicContact CD1-CZ 4.01Å; F390-F404 AromaticContact CD2-CD2 3.72Å; F390-F404 HydrophobicContact CD2-CD2 3.72Å; F390-F404 AromaticContact CD2-CE2 3.46Å; F390-F404 HydrophobicContact CD2-CE2 3.46Å; F390-F404 VanDerWaalsContact CD2-CE2 3.46Å; F390-F404 HydrophobicContact CD2-CZ 4.26Å; F390-F404 HydrophobicContact CE2-CE2 4.16Å; F390-F404 AromaticContact CG-CD2 3.89Å; F390-F404 HydrophobicContact CG-CD2 3.89Å; F390-F404 HydrophobicContact CG-CE1 4.43Å; F390-F404 AromaticContact CG-CE2 3.34Å; F390-F404 HydrophobicContact CG-CE2 3.34Å; F390-F404 AromaticContact CG-CZ 3.66Å; F390-F404 HydrophobicContact CG-CZ 3.66Å; F390-F404 PolarHBondContact N-O 2.78Å; F390-F404 PolarHBondContact O-N 3.06Å; V392-F404 HydrophobicContact CG2-CE1 4.28Å; Q402-F404 HydrophobicContact CG-CD1 4.35Å; F404-L428 HydrophobicContact CZ-CD2 4.37Å; F404-Y438 HydrophobicContact CD2-CE1 4.44Å; F404-Y438 AromaticContact CE2-CD1 3.75Å; F404-Y438 HydrophobicContact CE2-CD1 3.75Å; F404-Y438 AromaticContact CE2-CE1 3.8Å; F404-Y438 HydrophobicContact CE2-CE1 3.8Å; F404-Y438 HydrophobicContact CZ-CD1 4.31Å
405	H	78.1	Confident	65	Low	120 Å²	120	70.6 Å²	70.6	56%	0.556	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.1	-172.1	-56	-100.8	0	0	0	110	S407	H405-S407 PolarHBondContact O-N 2.82Å
406	D	69.6	Low	64.8	Low	22 Å²	22	70.4 Å²	70.4	12%	0.118	43%	0.426	C	S	.	.			trans	-82.5	107.6	169.3	-166.2	30.4	0	0	0	111	K120 K388 F390 Q408 Y438	K120-D406 WeakPolarHBondContact CE-OD1 3.29Å; K120-D406 IonicContact NZ-OD1 3.38Å; K120-D406 PolarHBondContact NZ-OD1 3.3Å; K120-D406 IonicContact NZ-OD2 3.53Å; K120-D406 PolarHBondContact NZ-OD2 3.2Å; K120-D406 VanDerWaalsContact NZ-OD2 3.09Å; K388-D406 HydrophobicContact CB-CB 4.45Å; K388-D406 PolarHBondContact O-N 3.08Å; F390-D406 HydrophobicContact CE2-CB 4.43Å; D406-Q408 PolarHBondContact O-N 3.12Å; D406-Y438 PolarHBondContact OD1-OH 3.27Å
407	S	55.8	Low	64.6	Low	105 Å²	105	68.7 Å²	68.7	73%	0.734	42%	0.415	S	S	*	.			trans	-77.6	26	-169.6	60.3	0	0	0	0	114.9	H405	H405-S407 PolarHBondContact O-N 2.82Å
408	Q	54.9	Low	65.1	Low	107 Å²	107	66.2 Å²	66.2	50%	0.5	40%	0.4	S	S	.	.			trans	-127.2	132	-171.8	-68.4	-64.7	-64.3	0	0	113.2	K388 D406	K388-Q408 PolarHBondContact NZ-O 2.99Å; D406-Q408 PolarHBondContact O-N 3.12Å
409	G	46.6	Very low	65.6	Low	56 Å²	56	62.9 Å²	62.9	58%	0.577	38%	0.383	S	S	*	.	S	Bend	trans	91.8	124.6	-175.7	0	0	0	0	0	112.5
410	G	44.1	Very low	66.4	Low	58 Å²	58	62.3 Å²	62.3	60%	0.598	38%	0.376	S	S	*	.			trans	-65.7	177.9	169.1	0	0	0	0	0	112.6	G412	G410-G412 PolarHBondContact O-N 2.61Å
411	P	37.2	Very low	67	Low	149 Å²	149	60.4 Å²	60.4	97%	0.968	36%	0.364	S	S	*	.	S	Bend	trans	-59.3	114.1	-177.1	24.5	-33.8	0	0	0	111.1
412	G	51.5	Low	67.8	Low	75 Å²	75	59.6 Å²	59.6	77%	0.773	36%	0.36	S	S	*	.	S	Bend	trans	149.5	-80.7	-179.8	0	0	0	0	0	114.4	G410	G410-G412 PolarHBondContact O-N 2.61Å
413	D	52.4	Low	68.3	Low	108 Å²	108	61.3 Å²	61.3	58%	0.578	38%	0.38	S	S	*	.	S	Bend	trans	-114.8	28.2	-133.4	-154.7	48.2	0	0	0	116.4	R131	R131-D413 IonicContact CZ-OD2 3.25Å; R131-D413 IonicContact NH1-OD2 3.65Å; R131-D413 PolarHBondContact NH1-OD2 2.85Å
414	M	61	Low	68.3	Low	66 Å²	66	64 Å²	64	33%	0.325	39%	0.392	S	S	.	.			trans	-153.4	90.1	-179.9	-152.2	79.5	75.5	0	0	114.2	K388 S433	K388-M414 WeakPolarHBondContact CD-O 3.38Å; K388-M414 WeakPolarHBondContact CE-O 3.44Å; K388-M414 PolarHBondContact NZ-O 2.67Å; M414-S433 VanDerWaalsContact CE-OG 3.24Å; M414-S433 WeakPolarHBondContact CE-OG 3.4Å; M414-S433 VanDerWaalsContact SD-CB 3.6Å; M414-S433 PolarHBondContact SD-OG 2.67Å
415	Q	70	Confident	68.2	Low	110 Å²	110	68.3 Å²	68.3	51%	0.514	41%	0.412	S	S	.	.			trans	-83.6	154.2	167.1	-71.5	177.9	-12.8	0	0	111.1	Y417 S432	Q415-Y417 HydrophobicContact CB-CD2 4.5Å; Q415-Y417 HydrophobicContact CB-CE1 4.3Å; Q415-Y417 HydrophobicContact CB-CE2 3.77Å; Q415-Y417 VanDerWaalsContact OE1-CZ 3.3Å; Q415-Y417 PolarHBondContact OE1-OH 3.37Å; Q415-S432 WeakPolarHBondContact O-CB 3.03Å
416	I	78.3	Confident	67.9	Low	12 Å²	12	63 Å²	63	6%	0.062	39%	0.391	C	S	.	.			trans	-107.4	121.8	173.2	-57	177.7	0	0	0	106.8	L384 F390 G431	L384-I416 HydrophobicContact CD2-CB 3.91Å; L384-I416 HydrophobicContact CD2-CG2 3.58Å; F390-I416 HydrophobicContact CE2-CD1 4.02Å; F390-I416 HydrophobicContact CZ-CD1 3.73Å; I416-G431 WeakPolarHBondContact CA-O 3.31Å; I416-G431 WeakPolarHBondContact CG2-O 3.32Å
417	Y	77.4	Confident	68.3	Low	85 Å²	85	63.7 Å²	63.7	33%	0.333	39%	0.393	S	S	.	.			trans	-105.5	-18.7	-171.6	-65.9	-82.6	0	0	0	114.1	V133 K135 Q415 G431	V133-Y417 HydrophobicContact CG1-CD2 3.33Å; V133-Y417 HydrophobicContact CG1-CE2 3.28Å; V133-Y417 HydrophobicContact CG1-CG 4.42Å; K135-Y417 HydrophobicContact CD-CD1 4.33Å; K135-Y417 HydrophobicContact CD-CG 4.17Å; K135-Y417 VanDerWaalsContact NZ-CE1 3.33Å; Q415-Y417 HydrophobicContact CB-CD2 4.5Å; Q415-Y417 HydrophobicContact CB-CE1 4.3Å; Q415-Y417 HydrophobicContact CB-CE2 3.77Å; Q415-Y417 VanDerWaalsContact OE1-CZ 3.3Å; Q415-Y417 PolarHBondContact OE1-OH 3.37Å; Y417-G431 PolarHBondContact N-O 2.69Å
418	S	82.6	Confident	69.7	Low	9 Å²	9	58.7 Å²	58.7	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	145.7	-176.6	-166	0	0	0	0	111.3	I137 G431	I137-S418 PolarHBondContact N-OG 3.29Å; I137-S418 VanDerWaalsContact N-OG 3.16Å; S418-G431 PolarHBondContact O-N 2.64Å
419	M	89.9	Confident	71.1	Confident	3 Å²	3	54 Å²	54	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	135.1	-177.2	-178.9	167.3	64.4	0	0	109.1	E371 V373 V382 L384 F390 L428 I429 T430	E371-M419 HydrophobicContact CB-CB 4.11Å; E371-M419 HydrophobicContact CB-CE 4.04Å; E371-M419 WeakPolarHBondContact O-CE 3.37Å; V373-M419 HydrophobicContact CG1-CB 4.47Å; V373-M419 HydrophobicContact CG1-CE 4.38Å; V373-M419 HydrophobicContact CG1-CG 4.18Å; V373-M419 VanDerWaalsContact CG1-O 3.28Å; V373-M419 WeakPolarHBondContact CG1-O 3.41Å; V373-M419 HydrophobicContact CG2-CE 4.14Å; V373-M419 HydrophobicContact CG2-CG 4.2Å; V373-M419 HydrophobicContact CG2-SD 4.45Å; V382-M419 HydrophobicContact CG1-SD 4.24Å; V382-M419 WeakPolarHBondContact O-CE 3.39Å; L384-M419 HydrophobicContact CB-CE 3.72Å; L384-M419 HydrophobicContact CB-SD 4.06Å; F390-M419 HydrophobicContact CD1-SD 4.01Å; F390-M419 HydrophobicContact CE1-SD 3.82Å; M419-L428 HydrophobicContact CG-CD1 3.71Å; M419-L428 HydrophobicContact CG-CD2 4.39Å; M419-L428 HydrophobicContact CG-CG 4.1Å; M419-L428 HydrophobicContact SD-CD1 3.93Å; M419-L428 HydrophobicContact SD-CD2 3.94Å; M419-L428 HydrophobicContact SD-CG 4.27Å; M419-I429 WeakPolarHBondContact CA-O 3.21Å; M419-T430 HydrophobicContact CG-CG2 4.39Å
420	I	88.6	Confident	72.9	Confident	31 Å²	31	51.3 Å²	51.3	16%	0.159	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.1	173.4	-81.9	-164.2	0	0	0	109.7	I137 K139 L428 I429	I137-I420 HydrophobicContact CG2-CB 4.44Å; I137-I420 HydrophobicContact CG2-CD1 4.17Å; I137-I420 HydrophobicContact CG2-CG1 4.38Å; I137-I420 WeakPolarHBondContact O-CD1 3.26Å; K139-I420 HydrophobicContact CB-CG2 4.45Å; I420-L428 WeakPolarHBondContact O-CA 3.21Å; I420-I429 PolarHBondContact N-O 3.22Å; I420-I429 PolarHBondContact O-N 2.99Å
421	Y	87.3	Confident	74.5	Confident	32 Å²	32	48.6 Å²	48.6	13%	0.125	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.7	164.7	-173.1	-102.3	0	0	0	110.3	N375 A423 L428 L440	N375-Y421 HydrophobicContact CB-CD1 3.96Å; N375-Y421 HydrophobicContact CB-CE1 3.65Å; N375-Y421 HydrophobicContact CB-CE2 4.39Å; N375-Y421 HydrophobicContact CB-CG 4.47Å; N375-Y421 VanDerWaalsContact CG-CE1 3.48Å; N375-Y421 VanDerWaalsContact OD1-CE1 3.24Å; N375-Y421 WeakPolarHBondContact OD1-CE1 3.37Å; Y421-A423 HydrophobicContact CD1-CB 4.33Å; Y421-A423 HydrophobicContact CE1-CB 4.09Å; Y421-L428 HydrophobicContact CD2-CD1 4.35Å; Y421-L440 HydrophobicContact CD2-CD2 4.09Å; Y421-L440 HydrophobicContact CE2-CB 3.74Å; Y421-L440 HydrophobicContact CE2-CD2 3.9Å; Y421-L440 HydrophobicContact CE2-CG 4.48Å; Y421-L440 PolarHBondContact OH-O 3.49Å
422	D	83.3	Confident	76.5	Confident	12 Å²	12	41.7 Å²	41.7	6%	0.064	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	97.4	178.7	-173	-14.6	0	0	0	109.7	K139 N424 H425 G426 M427	K139-D422 HydrophobicContact CD-CB 4.44Å; K139-D422 IonicContact NZ-OD1 2.92Å; K139-D422 PolarHBondContact NZ-OD1 3.23Å; K139-D422 IonicContact NZ-OD2 3.88Å; K139-D422 PolarHBondContact NZ-OD2 2.55Å; D422-N424 PolarHBondContact O-N 3.34Å; D422-N424 WeakPolarHBondContact OD1-CB 3.28Å; D422-N424 PolarHBondContact OD1-N 3.44Å; D422-H425 PolarHBondContact OD1-N 3.46Å; D422-H425 IonicContact OD2-CD2 3.56Å; D422-H425 PolarHBondContact OD2-CD2 2.9Å; D422-G426 WeakPolarHBondContact O-CA 3.49Å; D422-G426 PolarHBondContact O-N 3.41Å; D422-M427 HydrophobicContact CB-CB 4.13Å; D422-M427 WeakPolarHBondContact CB-O 3.42Å; D422-M427 PolarHBondContact N-O 2.99Å; D422-M427 PolarHBondContact O-N 3.47Å
423	A	78.1	Confident	77.4	Confident	68 Å²	68	39.9 Å²	39.9	56%	0.562	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.4	-179.3	0	0	0	0	0	114.3	Y421	Y421-A423 HydrophobicContact CD1-CB 4.33Å; Y421-A423 HydrophobicContact CE1-CB 4.09Å
424	N	75.6	Confident	78.2	Confident	106 Å²	106	35.9 Å²	35.9	57%	0.567	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-42.6	177.4	-66.9	-1.1	0	0	0	111.1	D422	D422-N424 PolarHBondContact O-N 3.34Å; D422-N424 WeakPolarHBondContact OD1-CB 3.28Å; D422-N424 PolarHBondContact OD1-N 3.44Å
425	H	70.1	Confident	78.9	Confident	100 Å²	100	33.4 Å²	33.4	46%	0.463	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-3.3	-173.5	-62.6	-58.1	0	0	0	113.7	D144 D422 M427	D144-H425 IonicContact OD1-CD2 3.29Å; D144-H425 IonicContact OD1-NE2 3.96Å; D144-H425 PolarHBondContact OD1-NE2 2.76Å; D144-H425 IonicContact OD2-CD2 2.73Å; D144-H425 IonicContact OD2-CE1 3.74Å; D144-H425 IonicContact OD2-NE2 3.75Å; D144-H425 PolarHBondContact OD2-NE2 2.7Å; D422-H425 PolarHBondContact OD1-N 3.46Å; D422-H425 IonicContact OD2-CD2 3.56Å; D422-H425 PolarHBondContact OD2-CD2 2.9Å; H425-M427 HydrophobicContact CB-CG 3.77Å
426	G	72.8	Confident	79.1	Confident	10 Å²	10	28.2 Å²	28.2	10%	0.103	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	49.2	-176.5	0	0	0	0	0	112	D422 P439 L440 T441	D422-G426 WeakPolarHBondContact O-CA 3.49Å; D422-G426 PolarHBondContact O-N 3.41Å; G426-P439 CarbonylContact O-C 3.6Å; G426-L440 CarbonylContact C-O 3.51Å; G426-L440 CarbonylContact O-C 3.51Å; G426-L440 WeakPolarHBondContact O-CA 3.28Å; G426-L440 PolarHBondContact O-N 3.44Å; G426-T441 PolarHBondContact O-N 2.77Å; G426-T441 PolarHBondContact O-OG1 2.7Å
427	M	76.9	Confident	78.9	Confident	36 Å²	36	28.8 Å²	28.8	18%	0.177	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.3	-174.6	-55.2	-67.9	-55.3	0	0	111.7	D422 H425 M437 Y438 P439	D422-M427 HydrophobicContact CB-CB 4.13Å; D422-M427 WeakPolarHBondContact CB-O 3.42Å; D422-M427 PolarHBondContact N-O 2.99Å; D422-M427 PolarHBondContact O-N 3.47Å; H425-M427 HydrophobicContact CB-CG 3.77Å; M427-M437 HydrophobicContact CE-CB 3.78Å; M427-Y438 CarbonylContact C-O 3.6Å; M427-Y438 WeakPolarHBondContact CA-O 3.44Å; M427-P439 HydrophobicContact CE-CB 3.9Å; M427-P439 VanDerWaalsContact SD-CA 3.56Å; M427-P439 HydrophobicContact SD-CB 3.67Å
428	L	84.8	Confident	78.7	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.7	160.1	-170	81.1	0	0	0	108.8	V373 V382 F390 F404 M419 I420 Y421 T430 M437 Y438 L440	V373-L428 HydrophobicContact CG2-CD1 3.62Å; V382-L428 HydrophobicContact CB-CD1 4.32Å; V382-L428 HydrophobicContact CG1-CD1 4.03Å; V382-L428 HydrophobicContact CG1-CD2 3.89Å; F390-L428 HydrophobicContact CD1-CD2 4.06Å; F390-L428 HydrophobicContact CE1-CD2 4.07Å; F404-L428 HydrophobicContact CZ-CD2 4.37Å; M419-L428 HydrophobicContact CG-CD1 3.71Å; M419-L428 HydrophobicContact CG-CD2 4.39Å; M419-L428 HydrophobicContact CG-CG 4.1Å; M419-L428 HydrophobicContact SD-CD1 3.93Å; M419-L428 HydrophobicContact SD-CD2 3.94Å; M419-L428 HydrophobicContact SD-CG 4.27Å; I420-L428 WeakPolarHBondContact O-CA 3.21Å; Y421-L428 HydrophobicContact CD2-CD1 4.35Å; L428-T430 HydrophobicContact CD2-CG2 4.22Å; L428-T430 HydrophobicContact CG-CG2 4.36Å; L428-M437 WeakPolarHBondContact O-CA 3.16Å; L428-Y438 PolarHBondContact N-O 3.38Å; L428-Y438 PolarHBondContact O-N 3.18Å; L428-L440 HydrophobicContact CB-CD1 3.52Å; L428-L440 HydrophobicContact CB-CD2 3.9Å; L428-L440 HydrophobicContact CB-CG 4.26Å; L428-L440 HydrophobicContact CD2-CD1 4.5Å
429	I	84.2	Confident	77.9	Confident	7 Å²	7	25.7 Å²	25.7	4%	0.036	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.7	-178.9	-51.5	-178.9	0	0	0	107.9	I137 L146 M419 I420 M435 M437	I137-I429 HydrophobicContact CD1-CG2 4.17Å; L146-I429 HydrophobicContact CD1-CD1 3.94Å; L146-I429 HydrophobicContact CD2-CD1 4.21Å; L146-I429 HydrophobicContact CD2-CG2 4.1Å; M419-I429 WeakPolarHBondContact CA-O 3.21Å; I420-I429 PolarHBondContact N-O 3.22Å; I420-I429 PolarHBondContact O-N 2.99Å; I429-M435 HydrophobicContact CG2-CG 4.18Å; I429-M437 HydrophobicContact CG1-CG 4.14Å; I429-M437 HydrophobicContact CG1-SD 4.48Å; I429-M437 HydrophobicContact CG2-CG 4.16Å
430	T	84.6	Confident	76.5	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.9	-177.9	73.5	0	0	0	0	112.3	F390 M419 L428 D436 Y438	F390-T430 HydrophobicContact CE1-CG2 3.72Å; F390-T430 HydrophobicContact CZ-CG2 3.84Å; M419-T430 HydrophobicContact CG-CG2 4.39Å; L428-T430 HydrophobicContact CD2-CG2 4.22Å; L428-T430 HydrophobicContact CG-CG2 4.36Å; T430-D436 PolarHBondContact N-O 3.44Å; T430-D436 PolarHBondContact O-N 2.83Å; T430-D436 PolarHBondContact OG1-O 3.03Å; T430-Y438 HydrophobicContact CG2-CD2 4.19Å; T430-Y438 HydrophobicContact CG2-CE2 3.91Å; T430-Y438 WeakPolarHBondContact OG1-CE2 3.44Å
431	G	77.6	Confident	74.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.6	-177.7	0	0	0	0	0	112.6	I416 Y417 S418	I416-G431 WeakPolarHBondContact CA-O 3.31Å; I416-G431 WeakPolarHBondContact CG2-O 3.32Å; Y417-G431 PolarHBondContact N-O 2.69Å; S418-G431 PolarHBondContact O-N 2.64Å
432	S	79.9	Confident	72.3	Confident	4 Å²	4	32 Å²	32	3%	0.028	18%	0.177	C	C	.	.	S	Bend	trans	-124.2	-137.3	169.4	68	0	0	0	0	109.3	I134 Q415 V434	I134-S432 WeakPolarHBondContact CB-O 3.49Å; I134-S432 WeakPolarHBondContact CG1-O 3.35Å; I134-S432 PolarHBondContact N-O 2.82Å; Q415-S432 WeakPolarHBondContact O-CB 3.03Å; S432-V434 PolarHBondContact N-O 3.43Å; S432-V434 VanDerWaalsContact N-O 3.1Å; S432-V434 PolarHBondContact OG-N 3.43Å; S432-V434 VanDerWaalsContact OG-N 3.08Å; S432-V434 PolarHBondContact OG-O 3.4Å
433	S	69.5	Low	70.1	Confident	38 Å²	38	36 Å²	36	27%	0.266	20%	0.197	S	C	.	.	S	Bend	trans	-72.8	-12.6	158.6	72.8	0	0	0	0	113.6	D132 M414	D132-S433 WeakPolarHBondContact O-CA 3.35Å; D132-S433 WeakPolarHBondContact O-CB 3.23Å; M414-S433 VanDerWaalsContact CE-OG 3.24Å; M414-S433 WeakPolarHBondContact CE-OG 3.4Å; M414-S433 VanDerWaalsContact SD-CB 3.6Å; M414-S433 PolarHBondContact SD-OG 2.67Å
434	V	70.6	Confident	68	Low	24 Å²	24	35.2 Å²	35.2	15%	0.145	18%	0.183	C	C	.	.	S	Bend	trans	-127.4	147.8	175.3	-168.7	0	0	0	0	109.3	R122 S432	R122-V434 HydrophobicContact CG-CG1 3.64Å; S432-V434 PolarHBondContact N-O 3.43Å; S432-V434 VanDerWaalsContact N-O 3.1Å; S432-V434 PolarHBondContact OG-N 3.43Å; S432-V434 VanDerWaalsContact OG-N 3.08Å; S432-V434 PolarHBondContact OG-O 3.4Å
435	M	74.2	Confident	66.2	Low	14 Å²	14	32.8 Å²	32.8	7%	0.069	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.7	170.8	-168.5	-166.6	-51	0	0	108.9	I123 I134 L146 T148 I429	I123-M435 HydrophobicContact CD1-SD 4.48Å; I123-M435 PolarHBondContact N-O 2.87Å; I123-M435 VanDerWaalsContact N-O 3.11Å; I134-M435 HydrophobicContact CD1-CB 3.88Å; L146-M435 HydrophobicContact CD2-CE 4.2Å; L146-M435 HydrophobicContact CD2-SD 3.6Å; L146-M435 VanDerWaalsContact CD2-SD 3.6Å; T148-M435 HydrophobicContact CG2-CE 3.77Å; I429-M435 HydrophobicContact CG2-CG 4.18Å
436	D	74.3	Confident	64.6	Low	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.2	-176.5	-70.5	-50.2	0	0	0	110	K120 R122 T430 Y438	K120-D436 HydrophobicContact CD-CB 4.39Å; K120-D436 WeakPolarHBondContact CE-OD1 3.2Å; K120-D436 WeakPolarHBondContact CE-OD2 3.39Å; K120-D436 HydrophobicContact CG-CB 4.08Å; K120-D436 IonicContact NZ-OD1 2.9Å; K120-D436 IonicContact NZ-OD2 3.81Å; K120-D436 PolarHBondContact NZ-OD2 2.94Å; R122-D436 WeakPolarHBondContact CA-OD1 3.5Å; R122-D436 WeakPolarHBondContact CB-OD1 2.93Å; R122-D436 IonicContact CZ-OD1 2.76Å; R122-D436 IonicContact CZ-OD2 3.18Å; R122-D436 IonicContact NE-OD1 3.7Å; R122-D436 PolarHBondContact NE-OD1 3.36Å; R122-D436 IonicContact NE-OD2 3.57Å; R122-D436 IonicContact NH2-OD1 2.81Å; R122-D436 PolarHBondContact NH2-OD1 2.9Å; R122-D436 IonicContact NH2-OD2 2.78Å; R122-D436 PolarHBondContact NH2-OD2 2.99Å; T430-D436 PolarHBondContact N-O 3.44Å; T430-D436 PolarHBondContact O-N 2.83Å; T430-D436 PolarHBondContact OG1-O 3.03Å; D436-Y438 HydrophobicContact CB-CE2 3.83Å; D436-Y438 WeakPolarHBondContact O-CE2 3.28Å
437	M	75.2	Confident	62.9	Low	24 Å²	24	33.6 Å²	33.6	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.3	-176.1	-61.4	-176.6	-68.1	0	0	112	K120 R121 I123 M427 L428 I429	K120-M437 CarbonylContact C-O 3.58Å; K120-M437 WeakPolarHBondContact CA-O 3.33Å; R121-M437 HydrophobicContact CB-CB 4.44Å; R121-M437 HydrophobicContact CB-CE 4.25Å; R121-M437 HydrophobicContact CG-CE 4.02Å; R121-M437 PolarHBondContact N-O 2.99Å; R121-M437 PolarHBondContact O-N 2.86Å; I123-M437 HydrophobicContact CD1-CE 3.54Å; I123-M437 HydrophobicContact CD1-SD 4.47Å; I123-M437 HydrophobicContact CG1-CE 3.91Å; M427-M437 HydrophobicContact CE-CB 3.78Å; L428-M437 WeakPolarHBondContact O-CA 3.16Å; I429-M437 HydrophobicContact CG1-CG 4.14Å; I429-M437 HydrophobicContact CG1-SD 4.48Å; I429-M437 HydrophobicContact CG2-CG 4.16Å
438	Y	73.4	Confident	61.3	Low	4 Å²	4	39.9 Å²	39.9	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.4	-169	-60.2	-119.5	0	0	0	107.5	V117 K120 F404 D406 M427 L428 T430 D436 L440	V117-Y438 HydrophobicContact CB-CD1 4.24Å; V117-Y438 HydrophobicContact CG1-CD1 3.3Å; V117-Y438 HydrophobicContact CG1-CE1 3.92Å; V117-Y438 HydrophobicContact CG1-CG 4Å; V117-Y438 HydrophobicContact CG2-CD1 3.83Å; K120-Y438 PolarHBondContact NZ-OH 2.84Å; F404-Y438 HydrophobicContact CD2-CE1 4.44Å; F404-Y438 AromaticContact CE2-CD1 3.75Å; F404-Y438 HydrophobicContact CE2-CD1 3.75Å; F404-Y438 AromaticContact CE2-CE1 3.8Å; F404-Y438 HydrophobicContact CE2-CE1 3.8Å; F404-Y438 HydrophobicContact CZ-CD1 4.31Å; D406-Y438 PolarHBondContact OD1-OH 3.27Å; M427-Y438 CarbonylContact C-O 3.6Å; M427-Y438 WeakPolarHBondContact CA-O 3.44Å; L428-Y438 PolarHBondContact N-O 3.38Å; L428-Y438 PolarHBondContact O-N 3.18Å; T430-Y438 HydrophobicContact CG2-CD2 4.19Å; T430-Y438 HydrophobicContact CG2-CE2 3.91Å; T430-Y438 WeakPolarHBondContact OG1-CE2 3.44Å; D436-Y438 HydrophobicContact CB-CE2 3.83Å; D436-Y438 WeakPolarHBondContact O-CE2 3.28Å; Y438-L440 VanDerWaalsContact O-CD1 3.3Å; Y438-L440 WeakPolarHBondContact O-CD1 3.23Å; Y438-L440 PolarHBondContact O-N 2.75Å
439	P	65.1	Low	59.6	Low	25 Å²	25	46.5 Å²	46.5	16%	0.162	23%	0.233	C	C	.	.			trans	-81.5	77.9	-172.4	30.8	-35.2	0	0	0	113.7	F116 S118 G426 M427 T441	F116-P439 CarbonylContact O-C 3.58Å; S118-P439 WeakPolarHBondContact O-CG 3.39Å; S118-P439 WeakPolarHBondContact OG-CG 3.45Å; G426-P439 CarbonylContact O-C 3.6Å; M427-P439 HydrophobicContact CE-CB 3.9Å; M427-P439 VanDerWaalsContact SD-CA 3.56Å; M427-P439 HydrophobicContact SD-CB 3.67Å; P439-T441 PolarHBondContact O-N 3.14Å
440	L	60.2	Low	58.4	Low	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.253	C	S	.	.			trans	-69.9	65.8	172.8	-79.1	65.4	0	0	0	112.6	F115 V382 Y421 G426 L428 Y438	F115-L440 HydrophobicContact CB-CB 3.99Å; F115-L440 HydrophobicContact CB-CD2 4.42Å; F115-L440 HydrophobicContact CB-CG 3.61Å; F115-L440 VanDerWaalsContact CD1-C 3.45Å; F115-L440 HydrophobicContact CD1-CB 3.64Å; F115-L440 HydrophobicContact CD1-CG 4.12Å; F115-L440 HydrophobicContact CD2-CB 4.22Å; F115-L440 HydrophobicContact CD2-CD2 3.77Å; F115-L440 HydrophobicContact CD2-CG 3.86Å; F115-L440 HydrophobicContact CE1-CB 4.12Å; F115-L440 WeakPolarHBondContact CE1-O 3.33Å; F115-L440 HydrophobicContact CE2-CD2 4.15Å; F115-L440 HydrophobicContact CG-CB 3.7Å; F115-L440 HydrophobicContact CG-CD2 4.06Å; F115-L440 HydrophobicContact CG-CG 3.61Å; V382-L440 HydrophobicContact CG2-CD2 3.93Å; Y421-L440 HydrophobicContact CD2-CD2 4.09Å; Y421-L440 HydrophobicContact CE2-CB 3.74Å; Y421-L440 HydrophobicContact CE2-CD2 3.9Å; Y421-L440 HydrophobicContact CE2-CG 4.48Å; Y421-L440 PolarHBondContact OH-O 3.49Å; G426-L440 CarbonylContact C-O 3.51Å; G426-L440 CarbonylContact O-C 3.51Å; G426-L440 WeakPolarHBondContact O-CA 3.28Å; G426-L440 PolarHBondContact O-N 3.44Å; L428-L440 HydrophobicContact CB-CD1 3.52Å; L428-L440 HydrophobicContact CB-CD2 3.9Å; L428-L440 HydrophobicContact CB-CG 4.26Å; L428-L440 HydrophobicContact CD2-CD1 4.5Å; Y438-L440 VanDerWaalsContact O-CD1 3.3Å; Y438-L440 WeakPolarHBondContact O-CD1 3.23Å; Y438-L440 PolarHBondContact O-N 2.75Å
441	T	45.8	Very low	57.4	Low	79 Å²	79	50 Å²	50	49%	0.485	25%	0.254	S	S	.	.			trans	-109.9	149.5	167.6	-62.9	0	0	0	0	109.3	G426 P439 M443	G426-T441 PolarHBondContact O-N 2.77Å; G426-T441 PolarHBondContact O-OG1 2.7Å; P439-T441 PolarHBondContact O-N 3.14Å; T441-M443 PolarHBondContact O-N 3.15Å
442	R	43.1	Very low	57.2	Low	118 Å²	118	54 Å²	54	45%	0.445	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-63.4	110.7	-177.2	-64.6	-176.3	175.7	-156.3	-1.1	111.3	L113 D378	L113-R442 VanDerWaalsContact CD1-CZ 3.47Å; L113-R442 HydrophobicContact CD2-CG 3.99Å; D378-R442 IonicContact OD1-CZ 2.79Å; D378-R442 VanDerWaalsContact OD1-CZ 3.24Å; D378-R442 IonicContact OD1-NE 2.98Å; D378-R442 PolarHBondContact OD1-NE 3.45Å; D378-R442 IonicContact OD1-NH2 3.94Å; D378-R442 PolarHBondContact OD1-NH2 2.85Å
443	M	36.2	Very low	57.4	Low	97 Å²	97	54 Å²	54	48%	0.478	27%	0.273	S	S	.	.			trans	-153.8	140.1	161	-73.5	-166.2	74.7	0	0	108.7	T441 D918	T441-M443 PolarHBondContact O-N 3.15Å; M443-D918 HydrophobicContact CE-CB 3.82Å; M443-D918 WeakPolarHBondContact CE-OD2 3.47Å
444	I	34.9	Very low	58.2	Low	51 Å²	51	52.3 Å²	52.3	26%	0.262	26%	0.261	S	S	.	.			trans	-79.3	128	-175.4	-49.5	92.9	0	0	0	110.7	I920	I444-I920 WeakPolarHBondContact O-CD1 3.28Å
445	Q	37.2	Very low	58.8	Low	55 Å²	55	58.6 Å²	58.6	26%	0.257	29%	0.289	S	S	.	.				-137.3	149.1	128.2	-43.7	-166.6	-81.9	0	0	107.3	F116 I920 L921	F116-Q445 HydrophobicContact CD2-CB 4.4Å; F116-Q445 HydrophobicContact CD2-CG 4.16Å; F116-Q445 HydrophobicContact CE1-CG 4.17Å; F116-Q445 HydrophobicContact CE2-CB 3.42Å; F116-Q445 VanDerWaalsContact CE2-CB 3.42Å; F116-Q445 HydrophobicContact CE2-CG 3.49Å; F116-Q445 VanDerWaalsContact CE2-CG 3.49Å; F116-Q445 HydrophobicContact CZ-CB 3.6Å; F116-Q445 HydrophobicContact CZ-CG 3.5Å; F116-Q445 VanDerWaalsContact CZ-CG 3.5Å; Q445-I920 HydrophobicContact CG-CG2 4.23Å; Q445-I920 VanDerWaalsContact NE2-CG2 3.32Å; Q445-L921 PolarHBondContact NE2-O 2.83Å
446	D	36.9	Very low	59.5	Low	57 Å²	57	64 Å²	64	31%	0.305	31%	0.308	S	S	.	.			trans	-59.9	177.4	175.2	-70.1	-90.1	0	0	0	113.9
447	T	36.6	Very low	60.4	Low	69 Å²	69	69.1 Å²	69.1	42%	0.423	33%	0.332	S	S	.	.			trans	-49.8	153.2	-178.5	55.8	0	0	0	0	112.8	Q449	T447-Q449 PolarHBondContact O-N 2.9Å; T447-Q449 PolarHBondContact OG1-OE1 2.91Å
448	K	42.7	Very low	61.3	Low	169 Å²	169	68.2 Å²	68.2	74%	0.735	33%	0.328	S	S	*	.	S	Bend	trans	-70.7	18.6	166.1	-76.5	-167.3	169.6	-164.5	0	113.8
449	Q	49.6	Very low	62.2	Low	138 Å²	138	69.8 Å²	69.8	65%	0.645	34%	0.337	S	S	*	.	S	Bend	trans	-81.4	141.5	165.8	-65.4	170.5	-47.8	0	0	106.5	T447 C923	T447-Q449 PolarHBondContact O-N 2.9Å; T447-Q449 PolarHBondContact OG1-OE1 2.91Å; Q449-C923 PolarHBondContact O-SG 3.27Å
450	V	58.1	Low	63.5	Low	74 Å²	74	69 Å²	69	45%	0.448	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.7	135.1	170.7	-175.7	0	0	0	0	107.2	H452	V450-H452 PolarHBondContact O-N 2.95Å
451	P	64.4	Low	65.2	Low	7 Å²	7	68.9 Å²	68.9	5%	0.045	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-48.9	129.1	171	-29	36.7	0	0	0	109.6	S890 Y904 P922	P451-S890 VanDerWaalsContact O-CB 3.23Å; P451-S890 WeakPolarHBondContact O-CB 3.29Å; P451-Y904 HydrophobicContact CB-CD1 3.86Å; P451-Y904 HydrophobicContact CB-CD2 4.03Å; P451-Y904 HydrophobicContact CB-CE1 4.35Å; P451-Y904 HydrophobicContact CB-CG 3.69Å; P451-Y904 HydrophobicContact CG-CD1 4.34Å; P451-P922 HydrophobicContact CG-CB 4.47Å
452	H	74.6	Confident	67.6	Low	86 Å²	86	66.1 Å²	66.1	40%	0.398	31%	0.313	S	S	.	.			trans	-142.1	118.6	-176.1	-132.4	42.8	0	0	0	108.9	V450 H454 E455 D888	V450-H452 PolarHBondContact O-N 2.95Å; H452-H454 PolarHBondContact CD2-O 3.3Å; H452-H454 PolarHBondContact CE1-O 3.1Å; H452-H454 PolarHBondContact NE2-O 2.81Å; H452-E455 PolarHBondContact NE2-O 3.12Å; H452-D888 PolarHBondContact CE1-O 3.19Å; H452-D888 PolarHBondContact ND1-O 3.47Å
453	T	84.1	Confident	70	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.025	30%	0.298	C	S	.	.	S	Bend	trans	-104.5	-31.5	-176.6	-61	0	0	0	0	110.7	R480 W482 G889 V891 F905	T453-R480 PolarHBondContact O-NH1 2.81Å; T453-W482 HydrophobicContact CG2-CH2 3.93Å; T453-W482 HydrophobicContact CG2-CZ2 3.29Å; T453-W482 WeakPolarHBondContact O-CZ2 3.43Å; T453-G889 PolarHBondContact N-O 2.69Å; T453-V891 HydrophobicContact CG2-CB 4.27Å; T453-V891 HydrophobicContact CG2-CG2 4.25Å; T453-V891 PolarHBondContact OG1-N 3.12Å; T453-F905 WeakPolarHBondContact CB-O 3.48Å; T453-F905 HydrophobicContact CG2-CB 3.88Å; T453-F905 WeakPolarHBondContact CG2-O 3.35Å; T453-F905 PolarHBondContact OG1-O 2.94Å
454	H	86.3	Confident	72.6	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.009	28%	0.276	C	S	.	.	S	Bend	trans	-129	155.1	168.2	-79.1	-79.5	0	0	0	108.8	H452 R456 T472 C474 I478 G889	H452-H454 PolarHBondContact CD2-O 3.3Å; H452-H454 PolarHBondContact CE1-O 3.1Å; H452-H454 PolarHBondContact NE2-O 2.81Å; H454-R456 PolarHBondContact O-N 3.36Å; H454-T472 PolarHBondContact CD2-OG1 2.98Å; H454-T472 PolarHBondContact NE2-O 3.3Å; H454-T472 PolarHBondContact NE2-OG1 3.32Å; H454-C474 HydrophobicContact CB-CB 3.74Å; H454-I478 PolarHBondContact CE1-O 2.73Å; H454-G889 PolarHBondContact N-O 3.3Å
455	E	83	Confident	74.8	Confident	155 Å²	155	60.4 Å²	60.4	72%	0.724	29%	0.286	S	S	*	.	S	Bend	trans	-69.7	-18.6	177.5	-66.1	-164.7	-164.4	0	0	112.8	H452	H452-E455 PolarHBondContact NE2-O 3.12Å
456	R	88.8	Confident	76.9	Confident	129 Å²	129	61.7 Å²	61.7	49%	0.487	29%	0.289	S	S	.	.	S	Bend	trans	-122	169.7	-179.5	-58.6	-56.9	-171.6	132.1	17.7	113.1	H454 C474 E476 G889	H454-R456 PolarHBondContact O-N 3.36Å; R456-C474 HydrophobicContact CB-CB 4.4Å; R456-E476 HydrophobicContact CG-CB 4.08Å; R456-E476 HydrophobicContact CG-CG 3.75Å; R456-E476 VanDerWaalsContact CG-OE2 3.27Å; R456-E476 WeakPolarHBondContact CG-OE2 3.27Å; R456-E476 IonicContact CZ-OE1 3.65Å; R456-E476 IonicContact NE-OE1 2.78Å; R456-E476 PolarHBondContact NE-OE1 2.66Å; R456-E476 IonicContact NE-OE2 3.48Å; R456-E476 IonicContact NH2-OE1 3.7Å; R456-E476 PolarHBondContact NH2-OE1 3.09Å; R456-G889 VanDerWaalsContact O-CA 3.29Å; R456-G889 WeakPolarHBondContact O-CA 3.34Å
457	E	91.8	Very high	79	Confident	108 Å²	108	59.4 Å²	59.4	51%	0.505	28%	0.277	S	S	.	.			trans	-44.1	136.5	168.4	-45.8	-172.5	173	0	0	111.2	C474 S475 I887	E457-C474 VanDerWaalsContact O-CA 3.25Å; E457-C474 WeakPolarHBondContact O-CA 3.5Å; E457-C474 VanDerWaalsContact O-CB 3.31Å; E457-C474 WeakPolarHBondContact O-CB 3.42Å; E457-S475 PolarHBondContact O-N 3.47Å; E457-S475 PolarHBondContact O-OG 3.45Å; E457-I887 WeakPolarHBondContact CA-O 3.42Å; E457-I887 HydrophobicContact CB-CG2 3.96Å; E457-I887 VanDerWaalsContact CD-CG2 3.48Å; E457-I887 HydrophobicContact CG-CG2 3.77Å; E457-I887 WeakPolarHBondContact CG-O 3.12Å
458	I	94.8	Very high	81.3	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.4	177.5	-67.2	159.9	0	0	0	108.7	I473 I871 A885 S890 V891	I458-I473 CarbonylContact C-O 3.48Å; I458-I473 WeakPolarHBondContact CA-O 3.33Å; I458-I473 WeakPolarHBondContact CG2-O 3.23Å; I458-I871 HydrophobicContact CB-CD1 3.71Å; I458-I871 HydrophobicContact CG2-CD1 3.97Å; I458-I871 WeakPolarHBondContact O-CD1 3.28Å; I458-A885 HydrophobicContact CD1-CB 4.47Å; I458-A885 HydrophobicContact CG2-CB 4.11Å; I458-S890 WeakPolarHBondContact CD1-O 3.19Å; I458-V891 HydrophobicContact CD1-CG2 3.54Å
459	N	91.6	Very high	83.6	Confident	38 Å²	38	49 Å²	49	20%	0.203	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-36.6	176.2	-71.8	0.2	0	0	0	111.7	I473 E502 V503	N459-I473 PolarHBondContact N-O 2.86Å; N459-E502 PolarHBondContact ND2-OE1 2.97Å; N459-V503 PolarHBondContact ND2-O 2.88Å
460	V	93.3	Very high	85.8	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.8	-174.3	-164.2	0	0	0	0	111.6	L462 T472 I473 A506	V460-L462 HydrophobicContact CG1-CD1 4.4Å; V460-L462 HydrophobicContact CG1-CD2 4.48Å; V460-L462 HydrophobicContact CG1-CG 4.15Å; V460-T472 WeakPolarHBondContact O-CA 2.93Å; V460-I473 HydrophobicContact CB-CB 4.23Å; V460-I473 HydrophobicContact CB-CD1 4.22Å; V460-I473 HydrophobicContact CB-CG1 4.25Å; V460-I473 HydrophobicContact CG2-CB 4.5Å; V460-I473 HydrophobicContact CG2-CD1 4.36Å; V460-I473 PolarHBondContact N-O 2.9Å; V460-I473 PolarHBondContact O-N 2.97Å; V460-A506 HydrophobicContact CG1-CB 4.11Å
461	M	96	Very high	87.6	Confident	0 Å²	0	39 Å²	39	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.1	168.2	177.8	176.6	65.8	0	0	111.1	V470 L471 T472 Q872 I874 I883 A885 V891	M461-V470 HydrophobicContact CG-CG1 3.88Å; M461-V470 HydrophobicContact SD-CG1 4.23Å; M461-L471 CarbonylContact C-O 3.59Å; M461-L471 WeakPolarHBondContact CA-O 3.29Å; M461-T472 HydrophobicContact CG-CG2 4.37Å; M461-Q872 HydrophobicContact CB-CB 4.48Å; M461-Q872 HydrophobicContact CE-CB 4.21Å; M461-Q872 HydrophobicContact CE-CG 4.43Å; M461-Q872 WeakPolarHBondContact CE-O 3.49Å; M461-Q872 PolarHBondContact O-NE2 2.76Å; M461-Q872 PolarHBondContact O-OE1 2.93Å; M461-I874 HydrophobicContact CE-CB 4.45Å; M461-I874 HydrophobicContact CE-CD1 4Å; M461-I874 HydrophobicContact CE-CG1 3.97Å; M461-I874 HydrophobicContact CG-CD1 4.16Å; M461-I883 HydrophobicContact CE-CB 4.34Å; M461-I883 HydrophobicContact CE-CG2 4.1Å; M461-I883 HydrophobicContact SD-CB 4.28Å; M461-I883 HydrophobicContact SD-CG2 3.45Å; M461-I883 WeakPolarHBondContact SD-CG2 3.29Å; M461-A885 HydrophobicContact CB-CB 3.82Å; M461-A885 HydrophobicContact CE-CB 3.94Å; M461-A885 HydrophobicContact CG-CB 4.36Å; M461-A885 HydrophobicContact SD-CB 3.74Å; M461-V891 HydrophobicContact SD-CG1 3.55Å; M461-V891 VanDerWaalsContact SD-CG1 3.55Å; M461-V891 HydrophobicContact SD-CG2 4.43Å
462	L	94.9	Very high	89.1	Confident	21 Å²	21	38.6 Å²	38.6	11%	0.11	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.6	177.8	-60.3	166.6	0	0	0	110	V460 V470 L471 A506 V508	V460-L462 HydrophobicContact CG1-CD1 4.4Å; V460-L462 HydrophobicContact CG1-CD2 4.48Å; V460-L462 HydrophobicContact CG1-CG 4.15Å; L462-V470 CarbonylContact O-C 3.58Å; L462-V470 WeakPolarHBondContact O-CA 3.47Å; L462-L471 HydrophobicContact CB-CB 4.43Å; L462-L471 HydrophobicContact CD1-CD2 4.39Å; L462-L471 PolarHBondContact N-O 2.87Å; L462-L471 PolarHBondContact O-N 2.75Å; L462-A506 HydrophobicContact CD1-CB 3.69Å; L462-V508 HydrophobicContact CB-CG2 3.85Å; L462-V508 HydrophobicContact CD1-CG2 3.93Å; L462-V508 HydrophobicContact CG-CG2 4.4Å
463	Y	93.4	Very high	90.1	Very high	36 Å²	36	34.5 Å²	34.5	14%	0.141	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.5	174.7	175.3	-118.3	0	0	0	110.6	K465 H468 Q469 V470 L484 I874 V876 I883	Y463-K465 HydrophobicContact CD1-CB 4.48Å; Y463-K465 HydrophobicContact CE1-CB 3.93Å; Y463-H468 PolarHBondContact OH-ND1 2.88Å; Y463-H468 VanDerWaalsContact OH-ND1 3.15Å; Y463-Q469 WeakPolarHBondContact CD2-O 3.45Å; Y463-V470 HydrophobicContact CD2-CG2 4.19Å; Y463-L484 HydrophobicContact CE2-CB 4.43Å; Y463-L484 HydrophobicContact CE2-CD2 3.66Å; Y463-I874 HydrophobicContact CD1-CG2 4.39Å; Y463-I874 HydrophobicContact CG-CG2 4.38Å; Y463-V876 HydrophobicContact CD1-CG2 3.93Å; Y463-V876 HydrophobicContact CD2-CG2 4.43Å; Y463-V876 HydrophobicContact CE1-CB 4.36Å; Y463-V876 HydrophobicContact CE1-CG1 3.83Å; Y463-V876 HydrophobicContact CE1-CG2 3.75Å; Y463-V876 HydrophobicContact CE2-CG2 4.27Å; Y463-V876 HydrophobicContact CG-CG2 4.27Å; Y463-I883 HydrophobicContact CD2-CD1 4.29Å; Y463-I883 HydrophobicContact CG-CD1 4.47Å
464	N	90.8	Very high	90.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	103.5	172.8	-176.3	-16	0	0	0	109.6	Y466 L467 H468 Q469 G512 F529	N464-Y466 VanDerWaalsContact C-N 3.28Å; N464-Y466 PolarHBondContact O-N 3.35Å; N464-Y466 PolarHBondContact OD1-N 2.97Å; N464-Y466 VanDerWaalsContact OD1-N 3.08Å; N464-L467 PolarHBondContact OD1-N 3.44Å; N464-H468 WeakPolarHBondContact O-CA 3.21Å; N464-H468 PolarHBondContact O-N 3.04Å; N464-H468 VanDerWaalsContact O-N 3.1Å; N464-Q469 PolarHBondContact N-O 3.38Å; N464-Q469 PolarHBondContact O-N 3.15Å; N464-G512 PolarHBondContact ND2-O 3.2Å; N464-F529 HydrophobicContact CB-CD1 4.49Å; N464-F529 HydrophobicContact CB-CE1 3.85Å; N464-F529 HydrophobicContact CB-CE2 3.88Å; N464-F529 HydrophobicContact CB-CZ 3.51Å; N464-F529 VanDerWaalsContact ND2-CD1 3.25Å; N464-F529 WeakPolarHBondContact ND2-CD1 3.48Å; N464-F529 WeakPolarHBondContact ND2-CE1 3.27Å; N464-F529 WeakPolarHBondContact ND2-CG 3.48Å
465	K	83.1	Confident	90.7	Very high	108 Å²	108	36.1 Å²	36.1	47%	0.47	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.9	-179.2	67.5	-176.4	-176.8	-178	0	114.3	Y463 H468	Y463-K465 HydrophobicContact CD1-CB 4.48Å; Y463-K465 HydrophobicContact CE1-CB 3.93Å; K465-H468 PolarHBondContact O-CE1 3.02Å; K465-H468 PolarHBondContact O-ND1 3.32Å
466	Y	80.4	Confident	90.9	Very high	81 Å²	81	32.5 Å²	32.5	32%	0.318	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-27.4	-174.4	-59.2	-87	0	0	0	113.6	N464 E510 S511	N464-Y466 VanDerWaalsContact C-N 3.28Å; N464-Y466 PolarHBondContact O-N 3.35Å; N464-Y466 PolarHBondContact OD1-N 2.97Å; N464-Y466 VanDerWaalsContact OD1-N 3.08Å; Y466-E510 VanDerWaalsContact CE2-O 3.23Å; Y466-E510 WeakPolarHBondContact CE2-O 3.28Å; Y466-E510 PolarHBondContact OH-O 3.29Å; Y466-S511 WeakPolarHBondContact CD2-O 3.43Å; Y466-S511 VanDerWaalsContact CE2-O 3.23Å; Y466-S511 WeakPolarHBondContact CE2-O 3.31Å
467	L	80.9	Confident	91	Very high	9 Å²	9	26.5 Å²	26.5	5%	0.047	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-2.8	178.9	-61	-179	0	0	0	113.3	R78 N464 Q469 F529	R78-L467 PolarHBondContact NH2-O 2.63Å; N464-L467 PolarHBondContact OD1-N 3.44Å; L467-Q469 VanDerWaalsContact C-N 3.33Å; L467-Q469 HydrophobicContact CB-CB 4.37Å; L467-Q469 HydrophobicContact CB-CG 4.3Å; L467-Q469 PolarHBondContact O-N 2.83Å; L467-F529 HydrophobicContact CD1-CD1 3.78Å; L467-F529 HydrophobicContact CD1-CE1 4.48Å
468	H	85.6	Confident	91	Very high	15 Å²	15	22.9 Å²	22.9	7%	0.069	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	50.4	-170.5	-55.2	-65.4	0	0	0	112.2	Y463 N464 K465 L484 E485 E878	Y463-H468 PolarHBondContact OH-ND1 2.88Å; Y463-H468 VanDerWaalsContact OH-ND1 3.15Å; N464-H468 WeakPolarHBondContact O-CA 3.21Å; N464-H468 PolarHBondContact O-N 3.04Å; N464-H468 VanDerWaalsContact O-N 3.1Å; K465-H468 PolarHBondContact O-CE1 3.02Å; K465-H468 PolarHBondContact O-ND1 3.32Å; H468-L484 HydrophobicContact CB-CB 4.39Å; H468-L484 VanDerWaalsContact O-CB 3.26Å; H468-L484 WeakPolarHBondContact O-CB 3.1Å; H468-L484 PolarHBondContact O-N 2.95Å; H468-E485 IonicContact CG-OE1 3.23Å; H468-E878 IonicContact CE1-OE2 3.78Å; H468-E878 PolarHBondContact CE1-OE2 2.92Å; H468-E878 VanDerWaalsContact CE1-OE2 3.3Å; H468-E878 IonicContact ND1-OE2 2.82Å
469	Q	90.8	Very high	91	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.028	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.8	-173.6	-80.2	169.9	-7.6	0	0	112.3	Y463 N464 L467 V481 W482 V490 F529	Y463-Q469 WeakPolarHBondContact CD2-O 3.45Å; N464-Q469 PolarHBondContact N-O 3.38Å; N464-Q469 PolarHBondContact O-N 3.15Å; L467-Q469 VanDerWaalsContact C-N 3.33Å; L467-Q469 HydrophobicContact CB-CB 4.37Å; L467-Q469 HydrophobicContact CB-CG 4.3Å; L467-Q469 PolarHBondContact O-N 2.83Å; Q469-V481 HydrophobicContact CB-CG1 4.03Å; Q469-V481 HydrophobicContact CG-CG1 4.28Å; Q469-W482 CarbonylContact C-O 3.55Å; Q469-W482 WeakPolarHBondContact CA-O 3.17Å; Q469-W482 WeakPolarHBondContact CB-O 3.4Å; Q469-V490 HydrophobicContact CG-CG2 4.49Å; Q469-F529 HydrophobicContact CB-CE1 3.85Å; Q469-F529 HydrophobicContact CB-CZ 4.38Å
470	V	95.1	Very high	91.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.3	176.5	-170.8	0	0	0	0	108.3	M461 L462 Y463 T472 V481 W482 L484 I883 F905	M461-V470 HydrophobicContact CG-CG1 3.88Å; M461-V470 HydrophobicContact SD-CG1 4.23Å; L462-V470 CarbonylContact O-C 3.58Å; L462-V470 WeakPolarHBondContact O-CA 3.47Å; Y463-V470 HydrophobicContact CD2-CG2 4.19Å; V470-T472 HydrophobicContact CG1-CG2 3.84Å; V470-V481 CarbonylContact O-C 3.58Å; V470-V481 WeakPolarHBondContact O-CA 3.01Å; V470-W482 PolarHBondContact N-O 3.33Å; V470-W482 PolarHBondContact O-N 3.13Å; V470-L484 HydrophobicContact CG2-CD1 4.43Å; V470-I883 HydrophobicContact CG2-CD1 3.83Å; V470-F905 HydrophobicContact CB-CE1 4.41Å; V470-F905 HydrophobicContact CG2-CE1 3.9Å; V470-F905 HydrophobicContact CG2-CZ 3.73Å
471	L	96.1	Very high	91.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.3	172	-175.9	156.3	0	0	0	108.6	M461 L462 I473 I479 V481 F515 F529	M461-L471 CarbonylContact C-O 3.59Å; M461-L471 WeakPolarHBondContact CA-O 3.29Å; L462-L471 HydrophobicContact CB-CB 4.43Å; L462-L471 HydrophobicContact CD1-CD2 4.39Å; L462-L471 PolarHBondContact N-O 2.87Å; L462-L471 PolarHBondContact O-N 2.75Å; L471-I473 HydrophobicContact CD2-CD1 3.89Å; L471-I473 HydrophobicContact CD2-CG1 3.64Å; L471-I479 HydrophobicContact CD1-CG2 4.08Å; L471-I479 HydrophobicContact CD2-CG2 3.9Å; L471-I479 HydrophobicContact CG-CG2 3.82Å; L471-V481 HydrophobicContact CB-CG2 4.05Å; L471-V481 HydrophobicContact CD1-CG2 3.96Å; L471-V481 HydrophobicContact CG-CG2 3.89Å; L471-F515 HydrophobicContact CD1-CB 4.39Å; L471-F515 HydrophobicContact CD1-CD1 4.03Å; L471-F515 HydrophobicContact CD1-CD2 3.59Å; L471-F515 HydrophobicContact CD1-CE1 4.15Å; L471-F515 HydrophobicContact CD1-CE2 3.73Å; L471-F515 HydrophobicContact CD1-CG 3.76Å; L471-F515 HydrophobicContact CD1-CZ 4Å; L471-F529 HydrophobicContact CB-CE2 4.25Å; L471-F529 HydrophobicContact CB-CZ 4.09Å; L471-F529 HydrophobicContact CD1-CE2 4.02Å; L471-F529 HydrophobicContact CD1-CZ 4.42Å
472	T	96.4	Very high	90.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.5	-178.7	72.7	0	0	0	0	110.9	H454 V460 M461 V470 R480 W482 V891	H454-T472 PolarHBondContact CD2-OG1 2.98Å; H454-T472 PolarHBondContact NE2-O 3.3Å; H454-T472 PolarHBondContact NE2-OG1 3.32Å; V460-T472 WeakPolarHBondContact O-CA 2.93Å; M461-T472 HydrophobicContact CG-CG2 4.37Å; V470-T472 HydrophobicContact CG1-CG2 3.84Å; T472-R480 PolarHBondContact N-O 2.7Å; T472-R480 PolarHBondContact O-N 2.91Å; T472-W482 PolarHBondContact OG1-NE1 3Å; T472-V891 HydrophobicContact CG2-CG2 3.69Å
473	I	95.1	Very high	90.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.2	-175	-49.9	-172.9	0	0	0	109.1	I458 N459 V460 L471 I479 V503 A506 T517	I458-I473 CarbonylContact C-O 3.48Å; I458-I473 WeakPolarHBondContact CA-O 3.33Å; I458-I473 WeakPolarHBondContact CG2-O 3.23Å; N459-I473 PolarHBondContact N-O 2.86Å; V460-I473 HydrophobicContact CB-CB 4.23Å; V460-I473 HydrophobicContact CB-CD1 4.22Å; V460-I473 HydrophobicContact CB-CG1 4.25Å; V460-I473 HydrophobicContact CG2-CB 4.5Å; V460-I473 HydrophobicContact CG2-CD1 4.36Å; V460-I473 PolarHBondContact N-O 2.9Å; V460-I473 PolarHBondContact O-N 2.97Å; L471-I473 HydrophobicContact CD2-CD1 3.89Å; L471-I473 HydrophobicContact CD2-CG1 3.64Å; I473-I479 HydrophobicContact CD1-CD1 4.48Å; I473-I479 HydrophobicContact CD1-CG1 4.25Å; I473-I479 HydrophobicContact CG1-CG1 4.14Å; I473-I479 HydrophobicContact CG1-CG2 4.38Å; I473-I479 HydrophobicContact CG2-CG1 4.42Å; I473-V503 HydrophobicContact CD1-CG1 3.92Å; I473-V503 HydrophobicContact CG2-CB 3.78Å; I473-V503 HydrophobicContact CG2-CG1 3.88Å; I473-A506 HydrophobicContact CD1-CB 3.6Å; I473-T517 HydrophobicContact CD1-CG2 4.12Å
474	C	92.6	Very high	90.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	168.2	174.7	71.6	0	0	0	0	113.3	H454 R456 E457 E476 S477 I478	H454-C474 HydrophobicContact CB-CB 3.74Å; R456-C474 HydrophobicContact CB-CB 4.4Å; E457-C474 VanDerWaalsContact O-CA 3.25Å; E457-C474 WeakPolarHBondContact O-CA 3.5Å; E457-C474 VanDerWaalsContact O-CB 3.31Å; E457-C474 WeakPolarHBondContact O-CB 3.42Å; C474-E476 PolarHBondContact O-N 3.48Å; C474-S477 WeakPolarHBondContact O-CA 3.31Å; C474-S477 PolarHBondContact O-N 2.94Å; C474-I478 PolarHBondContact N-O 2.96Å
475	S	89.7	Confident	89.8	Confident	39 Å²	39	22.9 Å²	22.9	27%	0.273	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.8	177.3	51.4	0	0	0	0	114.9	E457 E502	E457-S475 PolarHBondContact O-N 3.47Å; E457-S475 PolarHBondContact O-OG 3.45Å; S475-E502 WeakPolarHBondContact CB-OE1 3.3Å
476	E	87.8	Confident	89.3	Confident	79 Å²	79	18.2 Å²	18.2	37%	0.369	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	14.2	164.1	-96	169.9	-173.7	0	0	112.8	R456 C474 I478	R456-E476 HydrophobicContact CG-CB 4.08Å; R456-E476 HydrophobicContact CG-CG 3.75Å; R456-E476 VanDerWaalsContact CG-OE2 3.27Å; R456-E476 WeakPolarHBondContact CG-OE2 3.27Å; R456-E476 IonicContact CZ-OE1 3.65Å; R456-E476 IonicContact NE-OE1 2.78Å; R456-E476 PolarHBondContact NE-OE1 2.66Å; R456-E476 IonicContact NE-OE2 3.48Å; R456-E476 IonicContact NH2-OE1 3.7Å; R456-E476 PolarHBondContact NH2-OE1 3.09Å; C474-E476 PolarHBondContact O-N 3.48Å; E476-I478 PolarHBondContact O-N 3.3Å; E476-I478 VanDerWaalsContact O-N 3.12Å
477	S	90.1	Very high	89.3	Confident	3 Å²	3	14.3 Å²	14.3	2%	0.021	7%	0.071	C	C	.	.			trans	59	19.2	177.8	-70.3	0	0	0	0	116.2	C474 I479 P496 I501 E502 V503	C474-S477 WeakPolarHBondContact O-CA 3.31Å; C474-S477 PolarHBondContact O-N 2.94Å; S477-I479 PolarHBondContact O-N 2.95Å; S477-P496 WeakPolarHBondContact O-CD 3.46Å; S477-P496 WeakPolarHBondContact O-CG 3.45Å; S477-I501 WeakPolarHBondContact CB-O 3.25Å; S477-I501 PolarHBondContact OG-O 3.45Å; S477-E502 WeakPolarHBondContact OG-CA 3.21Å; S477-V503 PolarHBondContact OG-N 2.97Å
478	I	91.8	Very high	89.3	Confident	32 Å²	32	17.5 Å²	17.5	16%	0.164	9%	0.088	C	C	.	.			trans	-82.1	119.4	173.2	-53.2	176.5	0	0	0	108.5	H454 C474 E476 R480 L494	H454-I478 PolarHBondContact CE1-O 2.73Å; C474-I478 PolarHBondContact N-O 2.96Å; E476-I478 PolarHBondContact O-N 3.3Å; E476-I478 VanDerWaalsContact O-N 3.12Å; I478-R480 HydrophobicContact CG2-CG 3.98Å; I478-L494 HydrophobicContact CB-CD2 4.33Å; I478-L494 HydrophobicContact CD1-CD2 4.11Å; I478-L494 HydrophobicContact CG1-CD2 3.82Å; I478-L494 HydrophobicContact CG2-CD2 3.83Å
479	I	94.8	Very high	89.3	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.1	167.7	-53.1	177.9	0	0	0	107.4	L471 I473 S477 Q492 I493 P496 F515 T517	L471-I479 HydrophobicContact CD1-CG2 4.08Å; L471-I479 HydrophobicContact CD2-CG2 3.9Å; L471-I479 HydrophobicContact CG-CG2 3.82Å; I473-I479 HydrophobicContact CD1-CD1 4.48Å; I473-I479 HydrophobicContact CD1-CG1 4.25Å; I473-I479 HydrophobicContact CG1-CG1 4.14Å; I473-I479 HydrophobicContact CG1-CG2 4.38Å; I473-I479 HydrophobicContact CG2-CG1 4.42Å; S477-I479 PolarHBondContact O-N 2.95Å; I479-Q492 CarbonylContact O-C 3.59Å; I479-Q492 WeakPolarHBondContact O-CA 3.38Å; I479-Q492 WeakPolarHBondContact O-CB 3.43Å; I479-I493 HydrophobicContact CB-CB 4.23Å; I479-I493 PolarHBondContact N-O 3.28Å; I479-I493 PolarHBondContact O-N 3.36Å; I479-P496 HydrophobicContact CD1-CB 3.89Å; I479-P496 HydrophobicContact CD1-CG 3.88Å; I479-P496 HydrophobicContact CG1-CG 4.11Å; I479-F515 HydrophobicContact CD1-CE2 4.25Å; I479-T517 HydrophobicContact CD1-CG2 3.78Å
480	R	93.7	Very high	89	Confident	48 Å²	48	23.5 Å²	23.5	18%	0.181	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.2	170.4	-72.7	178.4	172.7	162.1	-0.3	109.9	T453 T472 I478 W482 Q489 Q492	T453-R480 PolarHBondContact O-NH1 2.81Å; T472-R480 PolarHBondContact N-O 2.7Å; T472-R480 PolarHBondContact O-N 2.91Å; I478-R480 HydrophobicContact CG2-CG 3.98Å; R480-W482 HydrophobicContact CB-CZ2 3.58Å; R480-W482 HydrophobicContact CG-CZ2 4.05Å; R480-Q489 VanDerWaalsContact NE-OE1 3.1Å; R480-Q492 HydrophobicContact CG-CB 3.84Å
481	V	93.5	Very high	88.6	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.8	172.6	177.5	0	0	0	0	108.9	Q469 V470 L471 V490 Y491 F529	Q469-V481 HydrophobicContact CB-CG1 4.03Å; Q469-V481 HydrophobicContact CG-CG1 4.28Å; V470-V481 CarbonylContact O-C 3.58Å; V470-V481 WeakPolarHBondContact O-CA 3.01Å; L471-V481 HydrophobicContact CB-CG2 4.05Å; L471-V481 HydrophobicContact CD1-CG2 3.96Å; L471-V481 HydrophobicContact CG-CG2 3.89Å; V481-V490 PolarHBondContact O-N 3.12Å; V481-Y491 HydrophobicContact CB-CD1 4.05Å; V481-Y491 HydrophobicContact CB-CE1 3.75Å; V481-Y491 HydrophobicContact CB-CE2 4.23Å; V481-Y491 HydrophobicContact CB-CG 4.43Å; V481-Y491 HydrophobicContact CG1-CD1 4.46Å; V481-Y491 HydrophobicContact CG1-CE1 3.97Å; V481-Y491 HydrophobicContact CG2-CD2 4.45Å; V481-Y491 HydrophobicContact CG2-CE1 3.89Å; V481-Y491 HydrophobicContact CG2-CE2 3.77Å; V481-Y491 VanDerWaalsContact CG2-CZ 3.46Å; V481-Y491 PolarHBondContact N-O 3.32Å; V481-Y491 PolarHBondContact O-N 2.88Å; V481-F529 HydrophobicContact CG1-CE1 3.96Å; V481-F529 HydrophobicContact CG1-CZ 4.42Å
482	W	92.3	Very high	88.4	Confident	7 Å²	7	29.3 Å²	29.3	3%	0.027	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151	-172	-44.3	84.5	0	0	0	110.8	T453 Q469 V470 T472 R480 L488 Q489 F905	T453-W482 HydrophobicContact CG2-CH2 3.93Å; T453-W482 HydrophobicContact CG2-CZ2 3.29Å; T453-W482 WeakPolarHBondContact O-CZ2 3.43Å; Q469-W482 CarbonylContact C-O 3.55Å; Q469-W482 WeakPolarHBondContact CA-O 3.17Å; Q469-W482 WeakPolarHBondContact CB-O 3.4Å; V470-W482 PolarHBondContact N-O 3.33Å; V470-W482 PolarHBondContact O-N 3.13Å; T472-W482 PolarHBondContact OG1-NE1 3Å; R480-W482 HydrophobicContact CB-CZ2 3.58Å; R480-W482 HydrophobicContact CG-CZ2 4.05Å; W482-L488 VanDerWaalsContact CA-O 3.29Å; W482-L488 WeakPolarHBondContact CA-O 3.14Å; W482-Q489 HydrophobicContact CE3-CB 3.76Å; W482-Q489 HydrophobicContact CE3-CG 4.27Å; W482-Q489 HydrophobicContact CH2-CB 4.37Å; W482-Q489 HydrophobicContact CH2-CG 4.48Å; W482-Q489 HydrophobicContact CZ3-CB 3.64Å; W482-Q489 HydrophobicContact CZ3-CG 4.17Å; W482-F905 HydrophobicContact CB-CD1 3.51Å; W482-F905 HydrophobicContact CB-CE1 4.11Å; W482-F905 HydrophobicContact CB-CG 4.36Å; W482-F905 HydrophobicContact CD2-CB 3.94Å; W482-F905 HydrophobicContact CE3-CB 4.12Å; W482-F905 HydrophobicContact CG-CB 4.13Å; W482-F905 AromaticContact CG-CD1 3.97Å; W482-F905 HydrophobicContact CG-CD1 3.97Å; W482-F905 HydrophobicContact CG-CG 4.37Å
483	E	86.1	Confident	88.1	Confident	20 Å²	20	30.4 Å²	30.4	9%	0.093	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.1	174.5	174.3	170.1	-111.1	0	0	111.3	R78 T486 G487 L488 V490	R78-E483 IonicContact CZ-OE1 2.76Å; R78-E483 IonicContact NH1-OE1 3.7Å; R78-E483 PolarHBondContact NH1-OE1 2.94Å; R78-E483 IonicContact NH2-OE1 3.13Å; R78-E483 PolarHBondContact NH2-OE1 2.88Å; E483-T486 WeakPolarHBondContact CB-OG1 3.48Å; E483-T486 HydrophobicContact CG-CG2 4.35Å; E483-T486 WeakPolarHBondContact CG-OG1 3.23Å; E483-T486 WeakPolarHBondContact OE2-CB 3.14Å; E483-T486 WeakPolarHBondContact OE2-CG2 3.39Å; E483-T486 PolarHBondContact OE2-OG1 2.79Å; E483-G487 WeakPolarHBondContact O-CA 3.31Å; E483-G487 PolarHBondContact O-N 3.38Å; E483-L488 PolarHBondContact N-O 3.36Å; E483-V490 HydrophobicContact CB-CG2 4Å
484	L	88	Confident	87.9	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-36.2	-173.1	179.8	61.6	0	0	0	113.4	Y463 H468 V470 V876 K879 I883 L893 F905 F911	Y463-L484 HydrophobicContact CE2-CB 4.43Å; Y463-L484 HydrophobicContact CE2-CD2 3.66Å; H468-L484 HydrophobicContact CB-CB 4.39Å; H468-L484 VanDerWaalsContact O-CB 3.26Å; H468-L484 WeakPolarHBondContact O-CB 3.1Å; H468-L484 PolarHBondContact O-N 2.95Å; V470-L484 HydrophobicContact CG2-CD1 4.43Å; L484-V876 HydrophobicContact CD2-CB 4.31Å; L484-V876 HydrophobicContact CD2-CG1 3.86Å; L484-V876 HydrophobicContact CD2-CG2 3.99Å; L484-K879 HydrophobicContact CD2-CG 4.45Å; L484-I883 HydrophobicContact CD1-CD1 3.98Å; L484-I883 HydrophobicContact CD1-CG1 4.36Å; L484-L893 HydrophobicContact CD1-CD1 4.02Å; L484-F905 HydrophobicContact CD1-CZ 3.93Å; L484-F911 WeakPolarHBondContact O-CD2 3.44Å; L484-F911 VanDerWaalsContact O-CE2 3.32Å; L484-F911 WeakPolarHBondContact O-CE2 3.49Å
485	E	81.3	Confident	87.6	Confident	32 Å²	32	38.4 Å²	38.4	15%	0.15	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-33.3	-179.7	-67.3	83.7	-164	0	0	113.4	K74 H468 K879	K74-E485 VanDerWaalsContact NZ-CD 3.25Å; K74-E485 IonicContact NZ-OE1 2.76Å; K74-E485 IonicContact NZ-OE2 2.71Å; K74-E485 PolarHBondContact NZ-OE2 3.35Å; H468-E485 IonicContact CG-OE1 3.23Å; E485-K879 WeakPolarHBondContact OE1-CE 3.23Å; E485-K879 IonicContact OE1-NZ 2.75Å
486	T	73.3	Confident	87.6	Confident	9 Å²	9	36.8 Å²	36.8	6%	0.055	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-23.2	-170.7	63.5	0	0	0	0	113.6	E483 L488 L910	E483-T486 WeakPolarHBondContact CB-OG1 3.48Å; E483-T486 HydrophobicContact CG-CG2 4.35Å; E483-T486 WeakPolarHBondContact CG-OG1 3.23Å; E483-T486 WeakPolarHBondContact OE2-CB 3.14Å; E483-T486 WeakPolarHBondContact OE2-CG2 3.39Å; E483-T486 PolarHBondContact OE2-OG1 2.79Å; T486-L488 PolarHBondContact O-N 3.07Å; T486-L488 PolarHBondContact OG1-N 3.09Å; T486-L910 HydrophobicContact CG2-CD2 3.79Å
487	G	80.9	Confident	87.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.			trans	74.5	0.3	-174.2	0	0	0	0	0	114.4	E483 G906 F911	E483-G487 WeakPolarHBondContact O-CA 3.31Å; E483-G487 PolarHBondContact O-N 3.38Å; G487-G906 PolarHBondContact O-N 2.7Å; G487-F911 VanDerWaalsContact N-CE2 3.33Å
488	L	80.3	Confident	87.5	Confident	76 Å²	76	34.3 Å²	34.3	40%	0.398	18%	0.177	S	C	.	.			trans	-81.3	151.5	-175.8	-60.2	176.5	0	0	0	111.8	W482 E483 T486	W482-L488 VanDerWaalsContact CA-O 3.29Å; W482-L488 WeakPolarHBondContact CA-O 3.14Å; E483-L488 PolarHBondContact N-O 3.36Å; T486-L488 PolarHBondContact O-N 3.07Å; T486-L488 PolarHBondContact OG1-N 3.09Å
489	Q	86.5	Confident	87	Confident	79 Å²	79	41 Å²	41	37%	0.369	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.4	174.5	-165.2	-176.6	-79.2	0	0	109.8	R480 W482	R480-Q489 VanDerWaalsContact NE-OE1 3.1Å; W482-Q489 HydrophobicContact CE3-CB 3.76Å; W482-Q489 HydrophobicContact CE3-CG 4.27Å; W482-Q489 HydrophobicContact CH2-CB 4.37Å; W482-Q489 HydrophobicContact CH2-CG 4.48Å; W482-Q489 HydrophobicContact CZ3-CB 3.64Å; W482-Q489 HydrophobicContact CZ3-CG 4.17Å
490	V	84.4	Confident	86.4	Confident	68 Å²	68	47.7 Å²	47.7	41%	0.412	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-49.3	176	-172.1	0	0	0	0	110.1	Q469 V481 E483	Q469-V490 HydrophobicContact CG-CG2 4.49Å; V481-V490 PolarHBondContact O-N 3.12Å; E483-V490 HydrophobicContact CB-CG2 4Å
491	Y	85.8	Confident	86.1	Confident	41 Å²	41	47.5 Å²	47.5	16%	0.161	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	170.5	173.8	67.6	-95.9	0	0	0	111.4	V481 I493 F529	V481-Y491 HydrophobicContact CB-CD1 4.05Å; V481-Y491 HydrophobicContact CB-CE1 3.75Å; V481-Y491 HydrophobicContact CB-CE2 4.23Å; V481-Y491 HydrophobicContact CB-CG 4.43Å; V481-Y491 HydrophobicContact CG1-CD1 4.46Å; V481-Y491 HydrophobicContact CG1-CE1 3.97Å; V481-Y491 HydrophobicContact CG2-CD2 4.45Å; V481-Y491 HydrophobicContact CG2-CE1 3.89Å; V481-Y491 HydrophobicContact CG2-CE2 3.77Å; V481-Y491 VanDerWaalsContact CG2-CZ 3.46Å; V481-Y491 PolarHBondContact N-O 3.32Å; V481-Y491 PolarHBondContact O-N 2.88Å; Y491-I493 HydrophobicContact CD2-CG1 4.19Å; Y491-I493 HydrophobicContact CE2-CD1 4.06Å; Y491-I493 HydrophobicContact CE2-CG1 4.04Å; Y491-F529 PolarHBondContact OH-O 3.36Å; Y491-F529 VanDerWaalsContact OH-O 3.12Å
492	Q	91.4	Very high	85.9	Confident	81 Å²	81	50.8 Å²	50.8	38%	0.379	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151	170.3	70.7	-179.4	11.2	0	0	111.2	I479 R480	I479-Q492 CarbonylContact O-C 3.59Å; I479-Q492 WeakPolarHBondContact O-CA 3.38Å; I479-Q492 WeakPolarHBondContact O-CB 3.43Å; R480-Q492 HydrophobicContact CG-CB 3.84Å
493	I	90.9	Very high	85.9	Confident	23 Å²	23	50.4 Å²	50.4	12%	0.118	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.7	172	-50.8	175.1	0	0	0	107.4	I479 Y491 P496 F515 W527 G532	I479-I493 HydrophobicContact CB-CB 4.23Å; I479-I493 PolarHBondContact N-O 3.28Å; I479-I493 PolarHBondContact O-N 3.36Å; Y491-I493 HydrophobicContact CD2-CG1 4.19Å; Y491-I493 HydrophobicContact CE2-CD1 4.06Å; Y491-I493 HydrophobicContact CE2-CG1 4.04Å; I493-P496 HydrophobicContact CG2-CB 3.98Å; I493-F515 HydrophobicContact CD1-CZ 4.03Å; I493-W527 HydrophobicContact CD1-CD2 4.4Å; I493-W527 HydrophobicContact CD1-CE3 3.87Å; I493-W527 HydrophobicContact CD1-CZ3 4.08Å; I493-W527 HydrophobicContact CG2-CH2 4.29Å; I493-W527 HydrophobicContact CG2-CZ3 4.21Å; I493-G532 WeakPolarHBondContact CD1-O 2.94Å
494	L	90.6	Very high	86.2	Confident	100 Å²	100	50.9 Å²	50.9	52%	0.524	26%	0.261	S	S	.	.	S	Bend	trans	-107.3	146.7	177.6	-55.7	177.6	0	0	0	109.2	I478 P496	I478-L494 HydrophobicContact CB-CD2 4.33Å; I478-L494 HydrophobicContact CD1-CD2 4.11Å; I478-L494 HydrophobicContact CG1-CD2 3.82Å; I478-L494 HydrophobicContact CG2-CD2 3.83Å; L494-P496 VanDerWaalsContact C-CD 3.44Å; L494-P496 VanDerWaalsContact C-N 3.3Å
495	D	87.7	Confident	86.4	Confident	69 Å²	69	51 Å²	51	37%	0.369	26%	0.262	S	S	.	.	S	Bend	trans	42.6	46.9	179.4	-64.3	-54.8	0	0	0	114.5	H497 G498 F499	D495-H497 PolarHBondContact O-N 3.44Å; D495-G498 PolarHBondContact O-N 2.89Å; D495-F499 WeakPolarHBondContact OD1-CA 3.48Å
496	P	89.5	Confident	87	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.026	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.3	-169.5	25.9	-38	0	0	0	114	S477 I479 I493 L494 V503 R525 W527	S477-P496 WeakPolarHBondContact O-CD 3.46Å; S477-P496 WeakPolarHBondContact O-CG 3.45Å; I479-P496 HydrophobicContact CD1-CB 3.89Å; I479-P496 HydrophobicContact CD1-CG 3.88Å; I479-P496 HydrophobicContact CG1-CG 4.11Å; I493-P496 HydrophobicContact CG2-CB 3.98Å; L494-P496 VanDerWaalsContact C-CD 3.44Å; L494-P496 VanDerWaalsContact C-N 3.3Å; P496-V503 HydrophobicContact CG-CG2 3.63Å; P496-R525 WeakPolarHBondContact O-CD 3.37Å; P496-R525 PolarHBondContact O-NE 3.24Å; P496-R525 PolarHBondContact O-NH1 3.24Å; P496-R525 VanDerWaalsContact O-NH1 3.08Å; P496-W527 HydrophobicContact CB-CH2 3.84Å; P496-W527 HydrophobicContact CB-CZ2 3.64Å; P496-W527 WeakPolarHBondContact O-CH2 3.11Å; P496-W527 WeakPolarHBondContact O-CZ2 3.21Å
497	H	89.5	Confident	88	Confident	7 Å²	7	49.6 Å²	49.6	3%	0.032	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-3.7	175.9	-75.5	-88.7	0	0	0	114.5	D495 I501 T517 A519 T523 R525	D495-H497 PolarHBondContact O-N 3.44Å; H497-I501 HydrophobicContact CB-CB 4.5Å; H497-I501 HydrophobicContact CB-CG2 4.07Å; H497-T517 PolarHBondContact CE1-O 2.95Å; H497-T517 PolarHBondContact NE2-O 2.8Å; H497-T517 PolarHBondContact NE2-OG1 2.86Å; H497-A519 HydrophobicContact CB-CB 3.96Å; H497-T523 PolarHBondContact CE1-O 2.8Å; H497-T523 PolarHBondContact ND1-OG1 3.02Å; H497-T523 VanDerWaalsContact ND1-OG1 3.1Å; H497-R525 VanDerWaalsContact C-NH2 3.26Å; H497-R525 PolarHBondContact ND1-NE 3.02Å; H497-R525 PolarHBondContact O-NH2 3.27Å
498	G	85.1	Confident	88.5	Confident	24 Å²	24	51.1 Å²	51.1	25%	0.247	27%	0.266	C	S	.	.	S	Bend	trans	120.4	161.3	-169.9	0	0	0	0	0	111.9	D495 N500 I501	D495-G498 PolarHBondContact O-N 2.89Å; G498-N500 PolarHBondContact O-N 3.48Å; G498-I501 PolarHBondContact O-N 2.71Å
499	F	81.9	Confident	88.8	Confident	171 Å²	171	49 Å²	49	75%	0.75	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	129.4	-173.4	-177.1	-100.2	0	0	0	112.5	D495 I501	D495-F499 WeakPolarHBondContact OD1-CA 3.48Å; F499-I501 VanDerWaalsContact C-N 3.25Å; F499-I501 PolarHBondContact O-N 2.97Å
500	N	81.6	Confident	88.5	Confident	142 Å²	142	50.3 Å²	50.3	76%	0.759	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	31	177.6	-165	92.1	0	0	0	113.8	G498	G498-N500 PolarHBondContact O-N 3.48Å
501	I	87.6	Confident	88.2	Confident	43 Å²	43	48.8 Å²	48.8	22%	0.221	25%	0.253	C	S	.	.			trans	-107	114.4	171.4	-64	171.6	0	0	0	108.2	S477 H497 G498 F499 A519	S477-I501 WeakPolarHBondContact CB-O 3.25Å; S477-I501 PolarHBondContact OG-O 3.45Å; H497-I501 HydrophobicContact CB-CB 4.5Å; H497-I501 HydrophobicContact CB-CG2 4.07Å; G498-I501 PolarHBondContact O-N 2.71Å; F499-I501 VanDerWaalsContact C-N 3.25Å; F499-I501 PolarHBondContact O-N 2.97Å; I501-A519 HydrophobicContact CG2-CB 3.83Å
502	E	89.1	Confident	88.1	Confident	69 Å²	69	46.9 Å²	46.9	32%	0.322	25%	0.246	S	C	.	.			trans	-66	133.5	-177.8	-176	171.9	-150.9	0	0	112.3	N459 S475 S477 T504 A519 Y520	N459-E502 PolarHBondContact ND2-OE1 2.97Å; S475-E502 WeakPolarHBondContact CB-OE1 3.3Å; S477-E502 WeakPolarHBondContact OG-CA 3.21Å; E502-T504 HydrophobicContact CG-CG2 4.09Å; E502-A519 CarbonylContact O-C 3.59Å; E502-A519 WeakPolarHBondContact O-CA 3.41Å; E502-Y520 PolarHBondContact O-N 2.69Å
503	V	93.4	Very high	87.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.8	169	-175.2	0	0	0	0	109.8	N459 I473 S477 P496	N459-V503 PolarHBondContact ND2-O 2.88Å; I473-V503 HydrophobicContact CD1-CG1 3.92Å; I473-V503 HydrophobicContact CG2-CB 3.78Å; I473-V503 HydrophobicContact CG2-CG1 3.88Å; S477-V503 PolarHBondContact OG-N 2.97Å; P496-V503 HydrophobicContact CG-CG2 3.63Å
504	T	91.4	Very high	87.6	Confident	30 Å²	30	43.8 Å²	43.8	18%	0.184	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-19.9	-169	53.4	0	0	0	0	113	E502 G518 Y520 L551	E502-T504 HydrophobicContact CG-CG2 4.09Å; T504-G518 PolarHBondContact N-O 3.32Å; T504-G518 PolarHBondContact OG1-O 2.8Å; T504-Y520 HydrophobicContact CG2-CD2 4.46Å; T504-L551 WeakPolarHBondContact CB-O 3.07Å; T504-L551 PolarHBondContact OG1-O 3.34Å
505	S	91.7	Very high	87.7	Confident	4 Å²	4	39 Å²	39	3%	0.028	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	152.6	-176	58.2	0	0	0	0	112.6	T517 G518	S505-T517 WeakPolarHBondContact O-CA 3.39Å; S505-G518 PolarHBondContact N-O 2.9Å; S505-G518 VanDerWaalsContact N-O 3.08Å; S505-G518 PolarHBondContact O-N 3.22Å; S505-G518 PolarHBondContact OG-O 3.14Å
506	A	95.4	Very high	88	Confident	3 Å²	3	35.8 Å²	35.8	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	162.1	171.2	0	0	0	0	0	111.8	V460 L462 I473 A516 T517	V460-A506 HydrophobicContact CG1-CB 4.11Å; L462-A506 HydrophobicContact CD1-CB 3.69Å; I473-A506 HydrophobicContact CD1-CB 3.6Å; A506-A516 CarbonylContact C-O 3.53Å; A506-A516 WeakPolarHBondContact CA-O 3.32Å; A506-A516 VanDerWaalsContact CB-O 3.23Å; A506-A516 WeakPolarHBondContact CB-O 3.45Å; A506-T517 HydrophobicContact CB-CG2 3.95Å
507	A	93.3	Very high	88.3	Confident	7 Å²	7	35.6 Å²	35.6	6%	0.058	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.8	174.5	0	0	0	0	0	111	F515 A516 L554 F556	A507-F515 CarbonylContact O-C 3.51Å; A507-F515 WeakPolarHBondContact O-CA 3.44Å; A507-F515 VanDerWaalsContact O-CB 3.29Å; A507-F515 WeakPolarHBondContact O-CB 3.45Å; A507-A516 PolarHBondContact N-O 3.03Å; A507-A516 PolarHBondContact O-N 3.3Å; A507-L554 HydrophobicContact CB-CB 3.99Å; A507-F556 HydrophobicContact CB-CD2 3.84Å; A507-F556 HydrophobicContact CB-CE2 4.25Å
508	V	91.8	Very high	88.4	Confident	33 Å²	33	35.2 Å²	35.2	20%	0.2	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147	167.3	-177.9	0	0	0	0	107.9	L462 F515 F529 F556	L462-V508 HydrophobicContact CB-CG2 3.85Å; L462-V508 HydrophobicContact CD1-CG2 3.93Å; L462-V508 HydrophobicContact CG-CG2 4.4Å; V508-F515 HydrophobicContact CG2-CB 4.27Å; V508-F529 HydrophobicContact CG1-CD2 4.29Å; V508-F529 HydrophobicContact CG1-CE2 4.39Å; V508-F529 HydrophobicContact CG2-CD2 4.23Å; V508-F529 HydrophobicContact CG2-CE2 3.75Å; V508-F556 WeakPolarHBondContact O-CD2 3.41Å
509	D	87.3	Confident	88.7	Confident	30 Å²	30	34.1 Å²	34.1	16%	0.16	18%	0.175	C	C	.	.			trans	-78.2	169.1	179.5	88.3	-61.7	0	0	0	112.9	S511 G512 F513 L514 F556	D509-S511 VanDerWaalsContact CG-OG 3.26Å; D509-S511 PolarHBondContact O-N 2.91Å; D509-S511 PolarHBondContact OD1-OG 2.83Å; D509-S511 VanDerWaalsContact OD2-CB 3.23Å; D509-S511 WeakPolarHBondContact OD2-CB 3.47Å; D509-S511 PolarHBondContact OD2-N 3.04Å; D509-S511 PolarHBondContact OD2-OG 3.08Å; D509-G512 PolarHBondContact O-N 3.34Å; D509-G512 WeakPolarHBondContact OD1-CA 3.41Å; D509-G512 PolarHBondContact OD1-N 3.11Å; D509-F513 PolarHBondContact OD1-N 2.98Å; D509-L514 HydrophobicContact CB-CB 4.21Å; D509-L514 PolarHBondContact N-O 3.09Å; D509-L514 PolarHBondContact OD1-N 3.48Å; D509-F556 HydrophobicContact CB-CB 4.31Å; D509-F556 HydrophobicContact CB-CD1 3.89Å; D509-F556 HydrophobicContact CB-CD2 3.88Å; D509-F556 HydrophobicContact CB-CE1 4.08Å; D509-F556 HydrophobicContact CB-CE2 4.05Å; D509-F556 HydrophobicContact CB-CG 3.78Å; D509-F556 HydrophobicContact CB-CZ 4.14Å
510	E	80.1	Confident	89	Confident	108 Å²	108	29.1 Å²	29.1	51%	0.505	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.6	179.6	-76.8	-166.7	157.3	0	0	113.8	Y466 K558	Y466-E510 VanDerWaalsContact CE2-O 3.23Å; Y466-E510 WeakPolarHBondContact CE2-O 3.28Å; Y466-E510 PolarHBondContact OH-O 3.29Å; E510-K558 IonicContact OE1-NZ 3.89Å; E510-K558 PolarHBondContact OE1-NZ 3.46Å; E510-K558 WeakPolarHBondContact OE2-CG 3.4Å; E510-K558 IonicContact OE2-NZ 2.74Å; E510-K558 PolarHBondContact OE2-NZ 3.38Å
511	S	77.8	Confident	89.2	Confident	35 Å²	35	23.3 Å²	23.3	25%	0.245	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-18.5	178.8	78	0	0	0	0	114	Y466 D509 F513	Y466-S511 WeakPolarHBondContact CD2-O 3.43Å; Y466-S511 VanDerWaalsContact CE2-O 3.23Å; Y466-S511 WeakPolarHBondContact CE2-O 3.31Å; D509-S511 VanDerWaalsContact CG-OG 3.26Å; D509-S511 PolarHBondContact O-N 2.91Å; D509-S511 PolarHBondContact OD1-OG 2.83Å; D509-S511 VanDerWaalsContact OD2-CB 3.23Å; D509-S511 WeakPolarHBondContact OD2-CB 3.47Å; D509-S511 PolarHBondContact OD2-N 3.04Å; D509-S511 PolarHBondContact OD2-OG 3.08Å; S511-F513 PolarHBondContact O-N 3.48Å; S511-F513 WeakPolarHBondContact OG-CD2 3.43Å; S511-F513 PolarHBondContact OG-N 3.46Å
512	G	82.1	Confident	89	Confident	2 Å²	2	21.4 Å²	21.4	2%	0.021	11%	0.111	C	C	.	.	S	Bend	trans	72.4	9.7	-174.3	0	0	0	0	0	114.8	N464 D509	N464-G512 PolarHBondContact ND2-O 3.2Å; D509-G512 PolarHBondContact O-N 3.34Å; D509-G512 WeakPolarHBondContact OD1-CA 3.41Å; D509-G512 PolarHBondContact OD1-N 3.11Å
513	F	83.6	Confident	89.1	Confident	15 Å²	15	18.6 Å²	18.6	7%	0.066	10%	0.098	C	C	.	.	S	Bend	trans	-89.6	-18.9	174.5	-67.5	-62.7	0	0	0	112.9	E39 R40 C81 D509 S511 F529	E39-F513 HydrophobicContact CB-CE2 4.44Å; R40-F513 HydrophobicContact CG-CD2 4.11Å; R40-F513 HydrophobicContact CG-CE2 4.1Å; C81-F513 HydrophobicContact CB-CE1 4.23Å; D509-F513 PolarHBondContact OD1-N 2.98Å; S511-F513 PolarHBondContact O-N 3.48Å; S511-F513 WeakPolarHBondContact OG-CD2 3.43Å; S511-F513 PolarHBondContact OG-N 3.46Å; F513-F529 WeakPolarHBondContact O-CB 3.29Å; F513-F529 PolarHBondContact O-N 3.18Å
514	L	88.4	Confident	89	Confident	24 Å²	24	18.6 Å²	18.6	13%	0.126	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.2	-175.8	-60.9	173.9	0	0	0	112.2	D509 I526 W527 F556 H565	D509-L514 HydrophobicContact CB-CB 4.21Å; D509-L514 PolarHBondContact N-O 3.09Å; D509-L514 PolarHBondContact OD1-N 3.48Å; L514-I526 HydrophobicContact CB-CG2 4.37Å; L514-I526 HydrophobicContact CD1-CG2 4.47Å; L514-I526 HydrophobicContact CD2-CG2 4.34Å; L514-W527 WeakPolarHBondContact CA-O 3.48Å; L514-F556 HydrophobicContact CB-CZ 4.34Å; L514-H565 VanDerWaalsContact CD1-CE1 3.48Å; L514-H565 WeakPolarHBondContact CD1-CE1 3.49Å; L514-H565 VanDerWaalsContact CD1-ND1 3.28Å; L514-H565 WeakPolarHBondContact CD1-ND1 3.13Å
515	F	94	Very high	89.1	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.3	164.1	67.9	-82.9	0	0	0	111.4	L471 I479 I493 A507 V508 T517 I526 W527 F529	L471-F515 HydrophobicContact CD1-CB 4.39Å; L471-F515 HydrophobicContact CD1-CD1 4.03Å; L471-F515 HydrophobicContact CD1-CD2 3.59Å; L471-F515 HydrophobicContact CD1-CE1 4.15Å; L471-F515 HydrophobicContact CD1-CE2 3.73Å; L471-F515 HydrophobicContact CD1-CG 3.76Å; L471-F515 HydrophobicContact CD1-CZ 4Å; I479-F515 HydrophobicContact CD1-CE2 4.25Å; I493-F515 HydrophobicContact CD1-CZ 4.03Å; A507-F515 CarbonylContact O-C 3.51Å; A507-F515 WeakPolarHBondContact O-CA 3.44Å; A507-F515 VanDerWaalsContact O-CB 3.29Å; A507-F515 WeakPolarHBondContact O-CB 3.45Å; V508-F515 HydrophobicContact CG2-CB 4.27Å; F515-T517 HydrophobicContact CD2-CG2 3.86Å; F515-T517 HydrophobicContact CE2-CG2 3.91Å; F515-I526 CarbonylContact O-C 3.58Å; F515-I526 WeakPolarHBondContact O-CA 3.05Å; F515-W527 HydrophobicContact CD1-CB 3.87Å; F515-W527 HydrophobicContact CD2-CB 4.16Å; F515-W527 AromaticContact CD2-CD1 3.8Å; F515-W527 HydrophobicContact CD2-CG 4.17Å; F515-W527 HydrophobicContact CE1-CB 3.43Å; F515-W527 VanDerWaalsContact CE1-CB 3.43Å; F515-W527 HydrophobicContact CE1-CG 4.18Å; F515-W527 HydrophobicContact CE2-CB 3.74Å; F515-W527 AromaticContact CE2-CD1 3.48Å; F515-W527 VanDerWaalsContact CE2-CD1 3.48Å; F515-W527 HydrophobicContact CE2-CD2 4.32Å; F515-W527 AromaticContact CE2-CG 3.58Å; F515-W527 HydrophobicContact CE2-CG 3.58Å; F515-W527 HydrophobicContact CG-CB 4.21Å; F515-W527 HydrophobicContact CZ-CB 3.36Å; F515-W527 AromaticContact CZ-CD1 3.99Å; F515-W527 HydrophobicContact CZ-CD2 4.25Å; F515-W527 AromaticContact CZ-CG 3.59Å; F515-W527 HydrophobicContact CZ-CG 3.59Å; F515-W527 PolarHBondContact N-O 2.98Å; F515-W527 PolarHBondContact O-N 2.84Å; F515-F529 HydrophobicContact CB-CD2 4.04Å; F515-F529 HydrophobicContact CD1-CB 4.04Å; F515-F529 AromaticContact CD1-CD2 3.66Å; F515-F529 HydrophobicContact CD1-CD2 3.66Å; F515-F529 HydrophobicContact CD1-CE2 4.4Å; F515-F529 HydrophobicContact CD1-CG 4.07Å; F515-F529 HydrophobicContact CG-CD2 4.2Å
516	A	93.9	Very high	89.1	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.5	174.7	0	0	0	0	0	109	A506 A507 R525 I526 L554 F556 V567	A506-A516 CarbonylContact C-O 3.53Å; A506-A516 WeakPolarHBondContact CA-O 3.32Å; A506-A516 VanDerWaalsContact CB-O 3.23Å; A506-A516 WeakPolarHBondContact CB-O 3.45Å; A507-A516 PolarHBondContact N-O 3.03Å; A507-A516 PolarHBondContact O-N 3.3Å; A516-R525 CarbonylContact C-O 3.34Å; A516-R525 VanDerWaalsContact CA-O 3.31Å; A516-R525 WeakPolarHBondContact CA-O 3.35Å; A516-I526 HydrophobicContact CB-CG1 4.17Å; A516-L554 HydrophobicContact CB-CD1 4Å; A516-F556 HydrophobicContact CB-CE2 3.6Å; A516-F556 HydrophobicContact CB-CZ 3.63Å; A516-V567 HydrophobicContact CB-CG1 4.46Å; A516-V567 HydrophobicContact CB-CG2 4.34Å
517	T	95.1	Very high	89	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.8	174.6	56.3	0	0	0	0	109.8	I473 I479 H497 S505 A506 F515 V524 R525 W527	I473-T517 HydrophobicContact CD1-CG2 4.12Å; I479-T517 HydrophobicContact CD1-CG2 3.78Å; H497-T517 PolarHBondContact CE1-O 2.95Å; H497-T517 PolarHBondContact NE2-O 2.8Å; H497-T517 PolarHBondContact NE2-OG1 2.86Å; S505-T517 WeakPolarHBondContact O-CA 3.39Å; A506-T517 HydrophobicContact CB-CG2 3.95Å; F515-T517 HydrophobicContact CD2-CG2 3.86Å; F515-T517 HydrophobicContact CE2-CG2 3.91Å; T517-V524 CarbonylContact O-C 3.56Å; T517-V524 VanDerWaalsContact O-CA 3.32Å; T517-V524 WeakPolarHBondContact O-CA 3.28Å; T517-R525 PolarHBondContact N-O 2.7Å; T517-R525 PolarHBondContact O-N 2.79Å; T517-W527 PolarHBondContact OG1-NE1 2.86Å
518	G	92.5	Very high	88.7	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.4	-179.3	0	0	0	0	0	110.7	T504 S505 T523	T504-G518 PolarHBondContact N-O 3.32Å; T504-G518 PolarHBondContact OG1-O 2.8Å; S505-G518 PolarHBondContact N-O 2.9Å; S505-G518 VanDerWaalsContact N-O 3.08Å; S505-G518 PolarHBondContact O-N 3.22Å; S505-G518 PolarHBondContact OG-O 3.14Å; G518-T523 WeakPolarHBondContact CA-O 3.34Å
519	A	91.4	Very high	88.5	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	170.3	-171.4	0	0	0	0	0	114.1	H497 I501 E502 N521 G522 T523 L551	H497-A519 HydrophobicContact CB-CB 3.96Å; I501-A519 HydrophobicContact CG2-CB 3.83Å; E502-A519 CarbonylContact O-C 3.59Å; E502-A519 WeakPolarHBondContact O-CA 3.41Å; A519-N521 VanDerWaalsContact C-N 3.31Å; A519-N521 PolarHBondContact O-N 3.25Å; A519-G522 PolarHBondContact O-N 2.9Å; A519-T523 PolarHBondContact N-O 3.27Å; A519-L551 PolarHBondContact O-N 2.98Å
520	Y	87.7	Confident	88	Confident	67 Å²	67	18.6 Å²	18.6	26%	0.263	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.7	177.7	-175.1	-84.8	0	0	0	113.6	E502 T504 G522 E546 C550	E502-Y520 PolarHBondContact O-N 2.69Å; T504-Y520 HydrophobicContact CG2-CD2 4.46Å; Y520-G522 PolarHBondContact O-N 3.08Å; Y520-E546 HydrophobicContact CE1-CB 4.44Å; Y520-C550 HydrophobicContact CD2-CB 4.23Å; Y520-C550 WeakPolarHBondContact CD2-SG 3.4Å; Y520-C550 HydrophobicContact CE2-CB 4.22Å; Y520-C550 WeakPolarHBondContact O-CA 3.39Å
521	N	84.8	Confident	87.9	Confident	20 Å²	20	16.1 Å²	16.1	11%	0.107	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	7.8	174.6	71.7	-20.6	0	0	0	113.6	A519 T523 E540	A519-N521 VanDerWaalsContact C-N 3.31Å; A519-N521 PolarHBondContact O-N 3.25Å; N521-T523 VanDerWaalsContact C-N 3.28Å; N521-T523 WeakPolarHBondContact ND2-CG2 3.23Å; N521-T523 PolarHBondContact O-N 3.4Å; N521-T523 PolarHBondContact OD1-N 2.8Å; N521-T523 PolarHBondContact OD1-OG1 3.02Å; N521-E540 PolarHBondContact ND2-OE2 3.13Å
522	G	84.5	Confident	88.2	Confident	2 Å²	2	15 Å²	15	2%	0.021	8%	0.084	C	C	.	.	S	Bend	trans	78.2	2.7	-179.8	0	0	0	0	0	115.4	A519 Y520 H549	A519-G522 PolarHBondContact O-N 2.9Å; Y520-G522 PolarHBondContact O-N 3.08Å; G522-H549 WeakPolarHBondContact CA-O 3.49Å
523	T	90.1	Very high	88.3	Confident	10 Å²	10	21 Å²	21	6%	0.061	11%	0.111	C	C	.	.			trans	-66.2	144.4	172	54.1	0	0	0	0	111.3	H497 G518 A519 N521 L538 E540	H497-T523 PolarHBondContact CE1-O 2.8Å; H497-T523 PolarHBondContact ND1-OG1 3.02Å; H497-T523 VanDerWaalsContact ND1-OG1 3.1Å; G518-T523 WeakPolarHBondContact CA-O 3.34Å; A519-T523 PolarHBondContact N-O 3.27Å; N521-T523 VanDerWaalsContact C-N 3.28Å; N521-T523 WeakPolarHBondContact ND2-CG2 3.23Å; N521-T523 PolarHBondContact O-N 3.4Å; N521-T523 PolarHBondContact OD1-N 2.8Å; N521-T523 PolarHBondContact OD1-OG1 3.02Å; T523-L538 WeakPolarHBondContact CA-O 3.41Å; T523-L538 WeakPolarHBondContact CB-O 3.4Å; T523-E540 HydrophobicContact CG2-CB 3.99Å
524	V	92.8	Very high	88.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.7	-179.8	177.9	0	0	0	0	109.4	T517 V537 L538 L551 L554 I579 L588	T517-V524 CarbonylContact O-C 3.56Å; T517-V524 VanDerWaalsContact O-CA 3.32Å; T517-V524 WeakPolarHBondContact O-CA 3.28Å; V524-V537 CarbonylContact O-C 3.51Å; V524-V537 WeakPolarHBondContact O-CA 3.5Å; V524-L538 HydrophobicContact CB-CB 3.97Å; V524-L538 HydrophobicContact CB-CD2 4.35Å; V524-L538 HydrophobicContact CG2-CD2 4.29Å; V524-L538 PolarHBondContact N-O 3.37Å; V524-L538 PolarHBondContact O-N 2.91Å; V524-L551 HydrophobicContact CG2-CD1 3.41Å; V524-L551 VanDerWaalsContact CG2-CD1 3.41Å; V524-L554 HydrophobicContact CG1-CD1 4.41Å; V524-L554 HydrophobicContact CG2-CD2 4.48Å; V524-I579 HydrophobicContact CB-CD1 4.29Å; V524-I579 HydrophobicContact CG1-CD1 4.44Å; V524-I579 HydrophobicContact CG2-CD1 3.77Å; V524-L588 HydrophobicContact CB-CD1 4.39Å; V524-L588 HydrophobicContact CG1-CD1 4.04Å
525	R	92.8	Very high	88.5	Confident	51 Å²	51	27.6 Å²	27.6	19%	0.192	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.5	176.6	-70.6	173.4	-166.4	-143.3	13.7	110.1	P496 H497 A516 T517 W527 E534 K536 V537	P496-R525 WeakPolarHBondContact O-CD 3.37Å; P496-R525 PolarHBondContact O-NE 3.24Å; P496-R525 PolarHBondContact O-NH1 3.24Å; P496-R525 VanDerWaalsContact O-NH1 3.08Å; H497-R525 VanDerWaalsContact C-NH2 3.26Å; H497-R525 PolarHBondContact ND1-NE 3.02Å; H497-R525 PolarHBondContact O-NH2 3.27Å; A516-R525 CarbonylContact C-O 3.34Å; A516-R525 VanDerWaalsContact CA-O 3.31Å; A516-R525 WeakPolarHBondContact CA-O 3.35Å; T517-R525 PolarHBondContact N-O 2.7Å; T517-R525 PolarHBondContact O-N 2.79Å; R525-W527 HydrophobicContact CB-CZ2 3.84Å; R525-W527 HydrophobicContact CG-CZ2 4.38Å; R525-W527 PolarHBondContact O-NE1 3.46Å; R525-E534 WeakPolarHBondContact CD-OE1 3.24Å; R525-E534 IonicContact CZ-OE1 3.34Å; R525-E534 IonicContact CZ-OE2 2.7Å; R525-E534 IonicContact NE-OE1 3.87Å; R525-E534 VanDerWaalsContact NH1-CD 3.34Å; R525-E534 IonicContact NH1-OE1 3.84Å; R525-E534 PolarHBondContact NH1-OE1 2.61Å; R525-E534 IonicContact NH1-OE2 2.69Å; R525-E534 PolarHBondContact NH1-OE2 3.31Å; R525-K536 CarbonylContact C-O 3.6Å; R525-K536 WeakPolarHBondContact CA-O 3.45Å; R525-V537 HydrophobicContact CG-CB 4.13Å; R525-V537 HydrophobicContact CG-CG2 3.8Å
526	I	92.8	Very high	88.2	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137	171.7	-61	-179.6	0	0	0	108.1	L514 F515 A516 M535 K536 F556 H565 V567 L588	L514-I526 HydrophobicContact CB-CG2 4.37Å; L514-I526 HydrophobicContact CD1-CG2 4.47Å; L514-I526 HydrophobicContact CD2-CG2 4.34Å; F515-I526 CarbonylContact O-C 3.58Å; F515-I526 WeakPolarHBondContact O-CA 3.05Å; A516-I526 HydrophobicContact CB-CG1 4.17Å; I526-M535 WeakPolarHBondContact O-CB 3.22Å; I526-M535 PolarHBondContact O-N 3.24Å; I526-K536 HydrophobicContact CB-CB 4.41Å; I526-K536 PolarHBondContact N-O 3.22Å; I526-K536 PolarHBondContact O-N 2.82Å; I526-F556 HydrophobicContact CD1-CE1 4.38Å; I526-H565 HydrophobicContact CD1-CB 3.76Å; I526-V567 HydrophobicContact CD1-CG2 4.11Å; I526-L588 HydrophobicContact CD1-CD1 4.26Å; I526-L588 HydrophobicContact CD1-CD2 3.91Å; I526-L588 HydrophobicContact CG1-CD1 4.13Å
527	W	92.4	Very high	88.1	Confident	12 Å²	12	29.4 Å²	29.4	5%	0.045	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.2	-172.7	-50	79.2	0	0	0	110.4	I493 P496 L514 F515 T517 R525 Q533 E534	I493-W527 HydrophobicContact CD1-CD2 4.4Å; I493-W527 HydrophobicContact CD1-CE3 3.87Å; I493-W527 HydrophobicContact CD1-CZ3 4.08Å; I493-W527 HydrophobicContact CG2-CH2 4.29Å; I493-W527 HydrophobicContact CG2-CZ3 4.21Å; P496-W527 HydrophobicContact CB-CH2 3.84Å; P496-W527 HydrophobicContact CB-CZ2 3.64Å; P496-W527 WeakPolarHBondContact O-CH2 3.11Å; P496-W527 WeakPolarHBondContact O-CZ2 3.21Å; L514-W527 WeakPolarHBondContact CA-O 3.48Å; F515-W527 HydrophobicContact CD1-CB 3.87Å; F515-W527 HydrophobicContact CD2-CB 4.16Å; F515-W527 AromaticContact CD2-CD1 3.8Å; F515-W527 HydrophobicContact CD2-CG 4.17Å; F515-W527 HydrophobicContact CE1-CB 3.43Å; F515-W527 VanDerWaalsContact CE1-CB 3.43Å; F515-W527 HydrophobicContact CE1-CG 4.18Å; F515-W527 HydrophobicContact CE2-CB 3.74Å; F515-W527 AromaticContact CE2-CD1 3.48Å; F515-W527 VanDerWaalsContact CE2-CD1 3.48Å; F515-W527 HydrophobicContact CE2-CD2 4.32Å; F515-W527 AromaticContact CE2-CG 3.58Å; F515-W527 HydrophobicContact CE2-CG 3.58Å; F515-W527 HydrophobicContact CG-CB 4.21Å; F515-W527 HydrophobicContact CZ-CB 3.36Å; F515-W527 AromaticContact CZ-CD1 3.99Å; F515-W527 HydrophobicContact CZ-CD2 4.25Å; F515-W527 AromaticContact CZ-CG 3.59Å; F515-W527 HydrophobicContact CZ-CG 3.59Å; F515-W527 PolarHBondContact N-O 2.98Å; F515-W527 PolarHBondContact O-N 2.84Å; T517-W527 PolarHBondContact OG1-NE1 2.86Å; R525-W527 HydrophobicContact CB-CZ2 3.84Å; R525-W527 HydrophobicContact CG-CZ2 4.38Å; R525-W527 PolarHBondContact O-NE1 3.46Å; W527-Q533 CarbonylContact C-O 3.5Å; W527-Q533 WeakPolarHBondContact CA-O 3.29Å; W527-E534 HydrophobicContact CD2-CB 4.46Å; W527-E534 HydrophobicContact CE3-CB 3.83Å; W527-E534 HydrophobicContact CE3-CG 4.46Å; W527-E534 HydrophobicContact CH2-CB 4.2Å; W527-E534 HydrophobicContact CH2-CG 4.39Å; W527-E534 HydrophobicContact CZ3-CB 3.69Å; W527-E534 HydrophobicContact CZ3-CG 4.32Å
528	D	86.5	Confident	87.8	Confident	22 Å²	22	30 Å²	30	12%	0.118	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.2	165.2	173.2	82.7	0	0	0	110.1	R40 G530 S531 G532 Q533 M535	R40-D528 IonicContact NH2-OD1 2.71Å; D528-G530 VanDerWaalsContact C-N 3.33Å; D528-G530 WeakPolarHBondContact OD2-CA 3.46Å; D528-G530 PolarHBondContact OD2-N 3.32Å; D528-S531 VanDerWaalsContact OD2-CB 3.3Å; D528-S531 WeakPolarHBondContact OD2-CB 3.3Å; D528-S531 PolarHBondContact OD2-N 3.09Å; D528-S531 PolarHBondContact OD2-OG 3.06Å; D528-G532 VanDerWaalsContact O-CA 3.31Å; D528-G532 WeakPolarHBondContact O-CA 3.23Å; D528-G532 PolarHBondContact O-N 3.34Å; D528-Q533 PolarHBondContact N-O 3.19Å; D528-M535 HydrophobicContact CB-CG 4.2Å; D528-M535 HydrophobicContact CB-SD 4.44Å
529	F	87.6	Confident	87.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-30	-178.7	-155.6	-69	0	0	0	111.9	N464 L467 Q469 L471 V481 Y491 V508 F513 F515	N464-F529 HydrophobicContact CB-CD1 4.49Å; N464-F529 HydrophobicContact CB-CE1 3.85Å; N464-F529 HydrophobicContact CB-CE2 3.88Å; N464-F529 HydrophobicContact CB-CZ 3.51Å; N464-F529 VanDerWaalsContact ND2-CD1 3.25Å; N464-F529 WeakPolarHBondContact ND2-CD1 3.48Å; N464-F529 WeakPolarHBondContact ND2-CE1 3.27Å; N464-F529 WeakPolarHBondContact ND2-CG 3.48Å; L467-F529 HydrophobicContact CD1-CD1 3.78Å; L467-F529 HydrophobicContact CD1-CE1 4.48Å; Q469-F529 HydrophobicContact CB-CE1 3.85Å; Q469-F529 HydrophobicContact CB-CZ 4.38Å; L471-F529 HydrophobicContact CB-CE2 4.25Å; L471-F529 HydrophobicContact CB-CZ 4.09Å; L471-F529 HydrophobicContact CD1-CE2 4.02Å; L471-F529 HydrophobicContact CD1-CZ 4.42Å; V481-F529 HydrophobicContact CG1-CE1 3.96Å; V481-F529 HydrophobicContact CG1-CZ 4.42Å; Y491-F529 PolarHBondContact OH-O 3.36Å; Y491-F529 VanDerWaalsContact OH-O 3.12Å; V508-F529 HydrophobicContact CG1-CD2 4.29Å; V508-F529 HydrophobicContact CG1-CE2 4.39Å; V508-F529 HydrophobicContact CG2-CD2 4.23Å; V508-F529 HydrophobicContact CG2-CE2 3.75Å; F513-F529 WeakPolarHBondContact O-CB 3.29Å; F513-F529 PolarHBondContact O-N 3.18Å; F515-F529 HydrophobicContact CB-CD2 4.04Å; F515-F529 HydrophobicContact CD1-CB 4.04Å; F515-F529 AromaticContact CD1-CD2 3.66Å; F515-F529 HydrophobicContact CD1-CD2 3.66Å; F515-F529 HydrophobicContact CD1-CE2 4.4Å; F515-F529 HydrophobicContact CD1-CG 4.07Å; F515-F529 HydrophobicContact CG-CD2 4.2Å
530	G	77.8	Confident	86.7	Confident	20 Å²	20	38.2 Å²	38.2	21%	0.206	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-28.8	-176.6	0	0	0	0	0	114.3	N82 D528	N82-G530 VanDerWaalsContact ND2-C 3.32Å; N82-G530 WeakPolarHBondContact ND2-CA 3.36Å; N82-G530 PolarHBondContact ND2-O 3.13Å; N82-G530 WeakPolarHBondContact OD1-CA 3.12Å; D528-G530 VanDerWaalsContact C-N 3.33Å; D528-G530 WeakPolarHBondContact OD2-CA 3.46Å; D528-G530 PolarHBondContact OD2-N 3.32Å
531	S	76.6	Confident	85.8	Confident	57 Å²	57	36.1 Å²	36.1	40%	0.399	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-13.5	-171.5	64.6	0	0	0	0	114.8	D528 Q533	D528-S531 VanDerWaalsContact OD2-CB 3.3Å; D528-S531 WeakPolarHBondContact OD2-CB 3.3Å; D528-S531 PolarHBondContact OD2-N 3.09Å; D528-S531 PolarHBondContact OD2-OG 3.06Å; S531-Q533 VanDerWaalsContact C-N 3.26Å; S531-Q533 PolarHBondContact O-N 3.23Å
532	G	83.9	Confident	84.2	Confident	12 Å²	12	45.3 Å²	45.3	12%	0.124	24%	0.237	C	C	.	.			trans	70.7	16	-176	0	0	0	0	0	114.6	I493 D528	I493-G532 WeakPolarHBondContact CD1-O 2.94Å; D528-G532 VanDerWaalsContact O-CA 3.31Å; D528-G532 WeakPolarHBondContact O-CA 3.23Å; D528-G532 PolarHBondContact O-N 3.34Å
533	Q	84.3	Confident	82.8	Confident	128 Å²	128	52.7 Å²	52.7	60%	0.598	28%	0.276	S	S	*	.			trans	-82.1	142.7	179.9	-65.9	-175.7	17.3	0	0	112	W527 D528 S531	W527-Q533 CarbonylContact C-O 3.5Å; W527-Q533 WeakPolarHBondContact CA-O 3.29Å; D528-Q533 PolarHBondContact N-O 3.19Å; S531-Q533 VanDerWaalsContact C-N 3.26Å; S531-Q533 PolarHBondContact O-N 3.23Å
534	E	89.2	Confident	81.5	Confident	82 Å²	82	55.8 Å²	55.8	38%	0.383	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	126.8	174.6	-170.1	172.1	159	0	0	110.3	R525 W527	R525-E534 WeakPolarHBondContact CD-OE1 3.24Å; R525-E534 IonicContact CZ-OE1 3.34Å; R525-E534 IonicContact CZ-OE2 2.7Å; R525-E534 IonicContact NE-OE1 3.87Å; R525-E534 VanDerWaalsContact NH1-CD 3.34Å; R525-E534 IonicContact NH1-OE1 3.84Å; R525-E534 PolarHBondContact NH1-OE1 2.61Å; R525-E534 IonicContact NH1-OE2 2.69Å; R525-E534 PolarHBondContact NH1-OE2 3.31Å; W527-E534 HydrophobicContact CD2-CB 4.46Å; W527-E534 HydrophobicContact CE3-CB 3.83Å; W527-E534 HydrophobicContact CE3-CG 4.46Å; W527-E534 HydrophobicContact CH2-CB 4.2Å; W527-E534 HydrophobicContact CH2-CG 4.39Å; W527-E534 HydrophobicContact CZ3-CB 3.69Å; W527-E534 HydrophobicContact CZ3-CG 4.32Å
535	M	87.7	Confident	79.9	Confident	95 Å²	95	61.4 Å²	61.4	47%	0.468	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-44.5	-176.5	-67.5	-65.6	-64.7	0	0	112.4	I526 D528	I526-M535 WeakPolarHBondContact O-CB 3.22Å; I526-M535 PolarHBondContact O-N 3.24Å; D528-M535 HydrophobicContact CB-CG 4.2Å; D528-M535 HydrophobicContact CB-SD 4.44Å
536	K	88.8	Confident	78.2	Confident	15 Å²	15	65.7 Å²	65.7	7%	0.065	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	148.8	-176.9	-59.4	-172.4	-175.8	-63.6	0	112	R525 I526 H565 K582 E583 D585 I586 L588	R525-K536 CarbonylContact C-O 3.6Å; R525-K536 WeakPolarHBondContact CA-O 3.45Å; I526-K536 HydrophobicContact CB-CB 4.41Å; I526-K536 PolarHBondContact N-O 3.22Å; I526-K536 PolarHBondContact O-N 2.82Å; K536-H565 WeakPolarHBondContact CE-CD2 3.37Å; K536-H565 WeakPolarHBondContact CE-NE2 3.04Å; K536-K582 WeakPolarHBondContact CE-O 3.21Å; K536-K582 PolarHBondContact NZ-O 2.97Å; K536-E583 PolarHBondContact NZ-O 3.31Å; K536-D585 PolarHBondContact NZ-O 3.11Å; K536-I586 CarbonylContact C-O 3.55Å; K536-I586 WeakPolarHBondContact CA-O 3.18Å; K536-I586 WeakPolarHBondContact CB-O 3.34Å; K536-L588 HydrophobicContact CB-CD2 3.61Å; K536-L588 HydrophobicContact CB-CG 3.94Å; K536-L588 HydrophobicContact CD-CD2 4.06Å; K536-L588 HydrophobicContact CG-CD2 4.44Å
537	V	91.3	Very high	76.6	Confident	22 Å²	22	73 Å²	73	13%	0.133	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.2	-174.6	60.2	0	0	0	0	113.5	V524 R525 P539 I586 Y587 L588	V524-V537 CarbonylContact O-C 3.51Å; V524-V537 WeakPolarHBondContact O-CA 3.5Å; R525-V537 HydrophobicContact CG-CB 4.13Å; R525-V537 HydrophobicContact CG-CG2 3.8Å; V537-P539 WeakPolarHBondContact O-CD 2.77Å; V537-I586 HydrophobicContact CG1-CG2 4.49Å; V537-I586 PolarHBondContact N-O 3.02Å; V537-Y587 HydrophobicContact CG1-CD1 4.14Å; V537-Y587 HydrophobicContact CG1-CE1 4.23Å; V537-Y587 WeakPolarHBondContact O-CA 3.4Å; V537-L588 PolarHBondContact O-N 2.98Å
538	L	88.4	Confident	75.2	Confident	14 Å²	14	76.3 Å²	76.3	7%	0.073	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	100.2	161.6	-174.7	64.7	0	0	0	107.4	T523 V524 W544 I579 L588 V590	T523-L538 WeakPolarHBondContact CA-O 3.41Å; T523-L538 WeakPolarHBondContact CB-O 3.4Å; V524-L538 HydrophobicContact CB-CB 3.97Å; V524-L538 HydrophobicContact CB-CD2 4.35Å; V524-L538 HydrophobicContact CG2-CD2 4.29Å; V524-L538 PolarHBondContact N-O 3.37Å; V524-L538 PolarHBondContact O-N 2.91Å; L538-W544 HydrophobicContact CD2-CH2 4.28Å; L538-I579 HydrophobicContact CD2-CD1 3.83Å; L538-I579 HydrophobicContact CD2-CG1 4.26Å; L538-L588 HydrophobicContact CB-CB 3.88Å; L538-L588 HydrophobicContact CB-CD1 4.19Å; L538-L588 HydrophobicContact CD1-CB 4.38Å; L538-L588 VanDerWaalsContact CD1-O 3.26Å; L538-L588 WeakPolarHBondContact CD1-O 3.25Å; L538-V590 HydrophobicContact CD2-CG2 4.3Å
539	P	82.9	Confident	74.4	Confident	66 Å²	66	76.4 Å²	76.4	43%	0.429	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-73.1	160.3	177.1	31.6	-35.8	0	0	0	111.3	V537 G541 Y587	V537-P539 WeakPolarHBondContact O-CD 2.77Å; P539-G541 PolarHBondContact O-N 3.2Å; P539-Y587 HydrophobicContact CG-CD1 4.1Å; P539-Y587 HydrophobicContact CG-CE1 4.24Å
540	E	78.8	Confident	73.9	Confident	106 Å²	106	76.9 Å²	76.9	50%	0.495	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-62.4	131.5	178.7	-166.1	178.8	125.9	0	0	111.4	N521 T523	N521-E540 PolarHBondContact ND2-OE2 3.13Å; T523-E540 HydrophobicContact CG2-CB 3.99Å
541	G	67.7	Low	74.3	Confident	22 Å²	22	76 Å²	76	23%	0.227	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-80.6	141.6	178.1	0	0	0	0	0	112.1	P539 D543 W544	P539-G541 PolarHBondContact O-N 3.2Å; G541-D543 PolarHBondContact O-N 2.63Å; G541-W544 VanDerWaalsContact O-CB 3.28Å; G541-W544 WeakPolarHBondContact O-CB 3.05Å; G541-W544 PolarHBondContact O-N 2.74Å; G541-W544 VanDerWaalsContact O-N 3.08Å
542	K	52.3	Low	74.6	Confident	213 Å²	213	76.7 Å²	76.7	93%	0.926	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.7	-172	-66.6	-177.7	178.1	178.2	0	116.1
543	D	54.7	Low	74.8	Confident	158 Å²	158	80.5 Å²	80.5	85%	0.845	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	10.7	-178.3	-55.1	-65.8	0	0	0	112.6	G541	G541-D543 PolarHBondContact O-N 2.63Å
544	W	62.6	Low	75.1	Confident	74 Å²	74	74.6 Å²	74.6	28%	0.28	36%	0.357	S	S	.	.			trans	-80.7	143	-173.6	-73.5	28.5	0	0	0	111.5	L538 G541 H549	L538-W544 HydrophobicContact CD2-CH2 4.28Å; G541-W544 VanDerWaalsContact O-CB 3.28Å; G541-W544 WeakPolarHBondContact O-CB 3.05Å; G541-W544 PolarHBondContact O-N 2.74Å; G541-W544 VanDerWaalsContact O-N 3.08Å; W544-H549 AromaticContact CD2-CD2 3.77Å; W544-H549 HydrophobicContact CE3-CB 3.8Å; W544-H549 AromaticContact CE3-CD2 3.84Å; W544-H549 AromaticContact CE3-CG 3.8Å; W544-H549 AromaticContact CG-CD2 3.68Å; W544-H549 AromaticContact CG-NE2 3.94Å; W544-H549 HydrophobicContact CZ3-CB 4.08Å
545	K	59.5	Low	75.1	Confident	118 Å²	118	72.3 Å²	72.3	51%	0.513	35%	0.348	S	S	.	.			trans	-104.5	131.8	169.7	-52.3	-162.2	-150.7	79.1	0	110.6	E547 E548 H549	K545-E547 VanDerWaalsContact C-N 3.31Å; K545-E547 PolarHBondContact O-N 3.28Å; K545-E548 HydrophobicContact CB-CB 4.22Å; K545-E548 HydrophobicContact CB-CG 4.12Å; K545-E548 IonicContact NZ-OE1 3.76Å; K545-E548 PolarHBondContact NZ-OE1 2.56Å; K545-E548 IonicContact NZ-OE2 2.81Å; K545-E548 PolarHBondContact NZ-OE2 3.17Å; K545-E548 PolarHBondContact O-N 3.21Å; K545-H549 PolarHBondContact O-CD2 3.23Å; K545-H549 PolarHBondContact O-N 3.2Å
546	E	56.9	Low	75.1	Confident	141 Å²	141	69 Å²	69	66%	0.659	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-42.5	-176.6	-62.3	176.2	-179.9	0	0	113.6	Y520 E548	Y520-E546 HydrophobicContact CE1-CB 4.44Å; E546-E548 VanDerWaalsContact C-N 3.34Å; E546-E548 PolarHBondContact O-N 2.75Å
547	E	57.9	Low	74.8	Confident	157 Å²	157	68.9 Å²	68.9	73%	0.734	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.3	-179.8	-63.1	-167.4	156.8	0	0	114.1	K545	K545-E547 VanDerWaalsContact C-N 3.31Å; K545-E547 PolarHBondContact O-N 3.28Å
548	E	63.5	Low	73.8	Confident	80 Å²	80	72.6 Å²	72.6	37%	0.374	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-30.5	-171.5	-70.1	176.4	178.8	0	0	112.8	K545 E546 N573	K545-E548 HydrophobicContact CB-CB 4.22Å; K545-E548 HydrophobicContact CB-CG 4.12Å; K545-E548 IonicContact NZ-OE1 3.76Å; K545-E548 PolarHBondContact NZ-OE1 2.56Å; K545-E548 IonicContact NZ-OE2 2.81Å; K545-E548 PolarHBondContact NZ-OE2 3.17Å; K545-E548 PolarHBondContact O-N 3.21Å; E546-E548 VanDerWaalsContact C-N 3.34Å; E546-E548 PolarHBondContact O-N 2.75Å; E548-N573 PolarHBondContact O-ND2 3.37Å
549	H	70.1	Confident	72.6	Confident	25 Å²	25	73.5 Å²	73.5	12%	0.116	36%	0.356	C	S	.	.	S	Bend	trans	-107.4	9	-171.9	-58.6	-57.3	0	0	0	115.6	G522 W544 K545 L551 E571	G522-H549 WeakPolarHBondContact CA-O 3.49Å; W544-H549 AromaticContact CD2-CD2 3.77Å; W544-H549 HydrophobicContact CE3-CB 3.8Å; W544-H549 AromaticContact CE3-CD2 3.84Å; W544-H549 AromaticContact CE3-CG 3.8Å; W544-H549 AromaticContact CG-CD2 3.68Å; W544-H549 AromaticContact CG-NE2 3.94Å; W544-H549 HydrophobicContact CZ3-CB 4.08Å; K545-H549 PolarHBondContact O-CD2 3.23Å; K545-H549 PolarHBondContact O-N 3.2Å; H549-L551 PolarHBondContact O-N 2.82Å; H549-E571 IonicContact CE1-OE2 2.79Å; H549-E571 IonicContact CG-OE2 2.68Å; H549-E571 IonicContact ND1-OE1 3.75Å; H549-E571 IonicContact ND1-OE2 3.39Å; H549-E571 PolarHBondContact ND1-OE2 3.11Å
550	C	78	Confident	71.4	Confident	10 Å²	10	77.2 Å²	77.2	7%	0.068	37%	0.367	C	S	.	.			trans	-53.7	121.7	174.9	-179.9	0	0	0	0	111.9	Y520 E571 R572	Y520-C550 HydrophobicContact CD2-CB 4.23Å; Y520-C550 WeakPolarHBondContact CD2-SG 3.4Å; Y520-C550 HydrophobicContact CE2-CB 4.22Å; Y520-C550 WeakPolarHBondContact O-CA 3.39Å; C550-E571 CarbonylContact O-C 3.57Å; C550-E571 WeakPolarHBondContact O-CA 3.5Å; C550-R572 HydrophobicContact CB-CB 4.02Å; C550-R572 VanDerWaalsContact O-CB 3.27Å; C550-R572 WeakPolarHBondContact O-CB 3.45Å; C550-R572 PolarHBondContact O-N 2.89Å
551	L	85.3	Confident	70.4	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.7	-174.4	-72	165.3	0	0	0	112	T504 A519 V524 H549 A569 E571	T504-L551 WeakPolarHBondContact CB-O 3.07Å; T504-L551 PolarHBondContact OG1-O 3.34Å; A519-L551 PolarHBondContact O-N 2.98Å; V524-L551 HydrophobicContact CG2-CD1 3.41Å; V524-L551 VanDerWaalsContact CG2-CD1 3.41Å; H549-L551 PolarHBondContact O-N 2.82Å; L551-A569 HydrophobicContact CD2-CB 3.76Å; L551-E571 HydrophobicContact CD2-CG 3.91Å
552	Q	83.6	Confident	69.6	Low	71 Å²	71	78.9 Å²	78.9	33%	0.332	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-30.4	-178	-174.7	165.5	3.9	0	0	113.1	L570 N649	Q552-L570 HydrophobicContact CB-CD2 4.26Å; Q552-L570 HydrophobicContact CB-CG 4.38Å; Q552-L570 HydrophobicContact CG-CD2 4.37Å; Q552-L570 PolarHBondContact N-O 2.87Å; Q552-N649 PolarHBondContact NE2-O 3.03Å; Q552-N649 PolarHBondContact NE2-OD1 3.15Å; Q552-N649 VanDerWaalsContact NE2-OD1 3.1Å
553	R	87.1	Confident	69.8	Low	92 Å²	92	72.8 Å²	72.8	35%	0.347	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	139.9	177.5	-165.7	65.2	163.6	-173	-6.9	111	V555 L570 I651	R553-V555 HydrophobicContact CG-CG2 4.27Å; R553-L570 HydrophobicContact CB-CB 4Å; R553-L570 HydrophobicContact CB-CD2 4.22Å; R553-L570 PolarHBondContact N-O 3.12Å; R553-L570 PolarHBondContact O-N 2.7Å; R553-I651 HydrophobicContact CB-CG1 4.4Å; R553-I651 HydrophobicContact CG-CG1 4.22Å
554	L	92	Very high	70.4	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.2	164.8	-65.2	-177.4	0	0	0	109.6	A507 A516 V524 V567 L568 A569	A507-L554 HydrophobicContact CB-CB 3.99Å; A516-L554 HydrophobicContact CB-CD1 4Å; V524-L554 HydrophobicContact CG1-CD1 4.41Å; V524-L554 HydrophobicContact CG2-CD2 4.48Å; L554-V567 HydrophobicContact CB-CG1 4.25Å; L554-V567 HydrophobicContact CD2-CG1 4.02Å; L554-L568 CarbonylContact C-O 3.34Å; L554-L568 VanDerWaalsContact CA-O 3.31Å; L554-L568 WeakPolarHBondContact CA-O 3.2Å; L554-A569 HydrophobicContact CD2-CB 3.79Å
555	V	87.8	Confident	71.2	Confident	33 Å²	33	64.8 Å²	64.8	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	128.4	173	-173.9	0	0	0	0	108.6	R553 V567 L568 I651 L653	R553-V555 HydrophobicContact CG-CG2 4.27Å; V555-V567 CarbonylContact O-C 3.58Å; V555-V567 WeakPolarHBondContact O-CA 3.23Å; V555-L568 HydrophobicContact CB-CB 4.4Å; V555-L568 PolarHBondContact N-O 2.63Å; V555-L568 PolarHBondContact O-N 3.13Å; V555-I651 HydrophobicContact CG2-CD1 4.48Å; V555-L653 HydrophobicContact CG1-CD2 3.99Å
556	F	87.4	Confident	72.4	Confident	25 Å²	25	59.2 Å²	59.2	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	141.7	170.3	-85.5	-84.7	0	0	0	111	A507 V508 D509 L514 A516 I526 V567	A507-F556 HydrophobicContact CB-CD2 3.84Å; A507-F556 HydrophobicContact CB-CE2 4.25Å; V508-F556 WeakPolarHBondContact O-CD2 3.41Å; D509-F556 HydrophobicContact CB-CB 4.31Å; D509-F556 HydrophobicContact CB-CD1 3.89Å; D509-F556 HydrophobicContact CB-CD2 3.88Å; D509-F556 HydrophobicContact CB-CE1 4.08Å; D509-F556 HydrophobicContact CB-CE2 4.05Å; D509-F556 HydrophobicContact CB-CG 3.78Å; D509-F556 HydrophobicContact CB-CZ 4.14Å; L514-F556 HydrophobicContact CB-CZ 4.34Å; A516-F556 HydrophobicContact CB-CE2 3.6Å; A516-F556 HydrophobicContact CB-CZ 3.63Å; I526-F556 HydrophobicContact CD1-CE1 4.38Å; F556-V567 HydrophobicContact CD1-CG2 3.78Å; F556-V567 HydrophobicContact CE1-CG2 3.69Å; F556-V567 HydrophobicContact CG-CG2 4.41Å; F556-V567 HydrophobicContact CZ-CG2 4.25Å
557	L	82.1	Confident	73.9	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.068	25%	0.248	C	C	.	.			trans	-99.2	147.1	174	-64.7	-173.4	0	0	0	112	A559 L566 L568 M578 F623 L653	L557-A559 PolarHBondContact O-N 2.75Å; L557-A559 VanDerWaalsContact O-N 3.08Å; L557-L566 HydrophobicContact CB-CB 3.91Å; L557-L566 HydrophobicContact CD1-CB 4.42Å; L557-L566 PolarHBondContact N-O 3.1Å; L557-L568 HydrophobicContact CD1-CD2 4.16Å; L557-L568 HydrophobicContact CD1-CG 3.94Å; L557-L568 HydrophobicContact CD2-CD1 3.78Å; L557-L568 HydrophobicContact CD2-CG 3.81Å; L557-L568 HydrophobicContact CG-CD1 4.47Å; L557-L568 HydrophobicContact CG-CG 3.96Å; L557-M578 HydrophobicContact CD1-CG 4.26Å; L557-M578 HydrophobicContact CD1-SD 3.51Å; L557-M578 VanDerWaalsContact CD1-SD 3.51Å; L557-F623 HydrophobicContact CD1-CD2 3.83Å; L557-F623 HydrophobicContact CD1-CE2 3.82Å; L557-F623 HydrophobicContact CD2-CE2 3.83Å; L557-F623 HydrophobicContact CG-CE2 4.5Å; L557-L653 HydrophobicContact CD2-CD1 4.45Å; L557-L653 HydrophobicContact CD2-CD2 3.48Å; L557-L653 VanDerWaalsContact CD2-CD2 3.48Å
558	K	70.3	Confident	75.4	Confident	100 Å²	100	45.2 Å²	45.2	44%	0.435	21%	0.213	S	C	.	.			trans	-75.9	96.2	171.3	-167.4	-172.2	-151.7	75.9	0	109.2	E510 P622 Q655	E510-K558 IonicContact OE1-NZ 3.89Å; E510-K558 PolarHBondContact OE1-NZ 3.46Å; E510-K558 WeakPolarHBondContact OE2-CG 3.4Å; E510-K558 IonicContact OE2-NZ 2.74Å; E510-K558 PolarHBondContact OE2-NZ 3.38Å; K558-P622 WeakPolarHBondContact O-CG 3.21Å; K558-Q655 PolarHBondContact O-NE2 3.5Å
559	A	63.6	Low	76.6	Confident	34 Å²	34	41.5 Å²	41.5	28%	0.281	20%	0.196	S	C	.	.			trans	-65.2	141.7	174.5	0	0	0	0	0	111.1	L557 E561 Q564 L566	L557-A559 PolarHBondContact O-N 2.75Å; L557-A559 VanDerWaalsContact O-N 3.08Å; A559-E561 WeakPolarHBondContact CB-O 3.14Å; A559-Q564 HydrophobicContact CB-CB 4.35Å; A559-L566 HydrophobicContact CB-CD1 4.07Å
560	Q	57.3	Low	77.5	Confident	143 Å²	143	40.3 Å²	40.3	67%	0.668	19%	0.191	S	C	*	.	S	Bend	trans	-85.8	-33.4	171.1	-64.8	-173.5	-0.8	0	0	111.7	A620	Q560-A620 HydrophobicContact CB-CB 4.28Å
561	E	58.9	Low	77.9	Confident	66 Å²	66	40 Å²	40	31%	0.308	19%	0.188	S	C	.	.	S	Bend	trans	-88.6	135.4	172.7	-74.1	174.5	-144.9	0	0	110.6	A559 Q564 M619 A620	A559-E561 WeakPolarHBondContact CB-O 3.14Å; E561-Q564 HydrophobicContact CB-CG 4.17Å; E561-Q564 PolarHBondContact OE2-NE2 3.03Å; E561-M619 VanDerWaalsContact OE1-CA 3.31Å; E561-M619 WeakPolarHBondContact OE1-CA 3.49Å; E561-A620 HydrophobicContact CG-CB 4.42Å; E561-A620 PolarHBondContact OE1-N 2.9Å
562	K	51.4	Low	77.7	Confident	98 Å²	98	46 Å²	46	43%	0.426	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	152.5	177.4	-61.3	174.5	172.5	-147.7	0	110.1	A41 G42 L43 Q564	A41-K562 VanDerWaalsContact O-CD 3.29Å; A41-K562 WeakPolarHBondContact O-CD 3.36Å; A41-K562 WeakPolarHBondContact O-CE 3.47Å; A41-K562 PolarHBondContact O-NZ 3.41Å; G42-K562 VanDerWaalsContact C-NZ 3.3Å; G42-K562 WeakPolarHBondContact O-CE 3.45Å; G42-K562 PolarHBondContact O-NZ 2.75Å; L43-K562 VanDerWaalsContact CG-NZ 3.31Å; K562-Q564 PolarHBondContact O-N 3.05Å
563	H	55.8	Low	77.4	Confident	85 Å²	85	45 Å²	45	39%	0.394	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	11.9	176.1	-41.5	-96.4	0	0	0	115.8	E583	H563-E583 HydrophobicContact CB-CB 3.94Å; H563-E583 VanDerWaalsContact CB-CD 3.46Å; H563-E583 HydrophobicContact CB-CG 4.12Å; H563-E583 VanDerWaalsContact CB-OE2 3.28Å; H563-E583 WeakPolarHBondContact CB-OE2 3.45Å; H563-E583 IonicContact CD2-OE2 3.67Å; H563-E583 IonicContact CE1-OE1 2.76Å; H563-E583 IonicContact CG-OE1 3.65Å; H563-E583 IonicContact CG-OE2 3.55Å; H563-E583 VanDerWaalsContact CG-OE2 3.26Å; H563-E583 VanDerWaalsContact ND1-CD 3.3Å; H563-E583 IonicContact ND1-OE1 3.6Å; H563-E583 PolarHBondContact ND1-OE1 3.03Å; H563-E583 IonicContact ND1-OE2 2.71Å; H563-E583 PolarHBondContact ND1-OE2 3.3Å
564	Q	67.9	Low	76.9	Confident	19 Å²	19	41.5 Å²	41.5	9%	0.089	20%	0.2	C	C	.	.			trans	-95.9	117.9	166.2	-62.1	-163.6	15.6	0	0	111	A559 E561 K562	A559-Q564 HydrophobicContact CB-CB 4.35Å; E561-Q564 HydrophobicContact CB-CG 4.17Å; E561-Q564 PolarHBondContact OE2-NE2 3.03Å; K562-Q564 PolarHBondContact O-N 3.05Å
565	H	78.7	Confident	76.5	Confident	44 Å²	44	42.8 Å²	42.8	20%	0.204	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	109	170.8	-47.3	-80	0	0	0	108.8	L514 I526 K536 Q580 G581	L514-H565 VanDerWaalsContact CD1-CE1 3.48Å; L514-H565 WeakPolarHBondContact CD1-CE1 3.49Å; L514-H565 VanDerWaalsContact CD1-ND1 3.28Å; L514-H565 WeakPolarHBondContact CD1-ND1 3.13Å; I526-H565 HydrophobicContact CD1-CB 3.76Å; K536-H565 WeakPolarHBondContact CE-CD2 3.37Å; K536-H565 WeakPolarHBondContact CE-NE2 3.04Å; H565-Q580 CarbonylContact O-C 3.47Å; H565-Q580 WeakPolarHBondContact O-CA 3.41Å; H565-G581 PolarHBondContact N-O 3.2Å; H565-G581 PolarHBondContact O-N 3.29Å
566	L	85	Confident	76.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.8	-180	-74	164	0	0	0	110.2	L557 A559 M578 I579 Q580 I591 P622	L557-L566 HydrophobicContact CB-CB 3.91Å; L557-L566 HydrophobicContact CD1-CB 4.42Å; L557-L566 PolarHBondContact N-O 3.1Å; A559-L566 HydrophobicContact CB-CD1 4.07Å; L566-M578 HydrophobicContact CD2-CG 4.11Å; L566-M578 HydrophobicContact CD2-SD 4.13Å; L566-I579 WeakPolarHBondContact CA-O 3.24Å; L566-Q580 HydrophobicContact CD2-CB 3.79Å; L566-Q580 HydrophobicContact CD2-CG 3.76Å; L566-Q580 HydrophobicContact CG-CG 4.46Å; L566-I591 HydrophobicContact CD2-CD1 3.86Å; L566-P622 VanDerWaalsContact CD1-CD 3.48Å; L566-P622 HydrophobicContact CD1-CG 3.83Å
567	V	87.5	Confident	76.4	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.1	-177.4	-176.4	0	0	0	0	109.1	A516 I526 L554 V555 F556 I579	A516-V567 HydrophobicContact CB-CG1 4.46Å; A516-V567 HydrophobicContact CB-CG2 4.34Å; I526-V567 HydrophobicContact CD1-CG2 4.11Å; L554-V567 HydrophobicContact CB-CG1 4.25Å; L554-V567 HydrophobicContact CD2-CG1 4.02Å; V555-V567 CarbonylContact O-C 3.58Å; V555-V567 WeakPolarHBondContact O-CA 3.23Å; F556-V567 HydrophobicContact CD1-CG2 3.78Å; F556-V567 HydrophobicContact CE1-CG2 3.69Å; F556-V567 HydrophobicContact CG-CG2 4.41Å; F556-V567 HydrophobicContact CZ-CG2 4.25Å; V567-I579 PolarHBondContact N-O 3.1Å; V567-I579 PolarHBondContact O-N 3.47Å
568	L	89.1	Confident	76.6	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	139	163.4	-71.8	-177.9	0	0	0	110.2	L554 V555 L557 I576 K577 M578 W592 F623 I662	L554-L568 CarbonylContact C-O 3.34Å; L554-L568 VanDerWaalsContact CA-O 3.31Å; L554-L568 WeakPolarHBondContact CA-O 3.2Å; V555-L568 HydrophobicContact CB-CB 4.4Å; V555-L568 PolarHBondContact N-O 2.63Å; V555-L568 PolarHBondContact O-N 3.13Å; L557-L568 HydrophobicContact CD1-CD2 4.16Å; L557-L568 HydrophobicContact CD1-CG 3.94Å; L557-L568 HydrophobicContact CD2-CD1 3.78Å; L557-L568 HydrophobicContact CD2-CG 3.81Å; L557-L568 HydrophobicContact CG-CD1 4.47Å; L557-L568 HydrophobicContact CG-CG 3.96Å; L568-I576 HydrophobicContact CD2-CG2 4.24Å; L568-K577 CarbonylContact C-O 3.03Å; L568-K577 WeakPolarHBondContact CA-O 3.49Å; L568-M578 HydrophobicContact CD2-CB 3.85Å; L568-M578 HydrophobicContact CD2-CG 4.27Å; L568-W592 HydrophobicContact CD2-CE3 4.5Å; L568-W592 HydrophobicContact CD2-CH2 4.49Å; L568-W592 HydrophobicContact CD2-CZ3 3.77Å; L568-F623 HydrophobicContact CD1-CE2 4.29Å; L568-I662 HydrophobicContact CD1-CD1 3.9Å
569	A	89.5	Confident	77.4	Confident	1 Å²	1	36 Å²	36	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.2	178.3	0	0	0	0	0	109.8	L551 L554 I576 K577 I579	L551-A569 HydrophobicContact CD2-CB 3.76Å; L554-A569 HydrophobicContact CD2-CB 3.79Å; A569-I576 CarbonylContact O-C 3.55Å; A569-I576 WeakPolarHBondContact O-CA 3.31Å; A569-K577 PolarHBondContact N-O 2.76Å; A569-K577 PolarHBondContact O-N 3.18Å; A569-I579 HydrophobicContact CB-CD1 3.81Å
570	L	88.6	Confident	78.4	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.1	167.8	175.5	68.9	0	0	0	108.6	Q552 R553 I576 V648 I651	Q552-L570 HydrophobicContact CB-CD2 4.26Å; Q552-L570 HydrophobicContact CB-CG 4.38Å; Q552-L570 HydrophobicContact CG-CD2 4.37Å; Q552-L570 PolarHBondContact N-O 2.87Å; R553-L570 HydrophobicContact CB-CB 4Å; R553-L570 HydrophobicContact CB-CD2 4.22Å; R553-L570 PolarHBondContact N-O 3.12Å; R553-L570 PolarHBondContact O-N 2.7Å; L570-I576 HydrophobicContact CD1-CG1 3.88Å; L570-V648 HydrophobicContact CD1-CB 4.15Å; L570-V648 HydrophobicContact CD1-CG1 3.65Å; L570-V648 HydrophobicContact CD2-CG1 4.1Å; L570-I651 HydrophobicContact CB-CD1 4.02Å; L570-I651 HydrophobicContact CB-CG1 4.43Å; L570-I651 HydrophobicContact CD1-CG2 4.39Å; L570-I651 HydrophobicContact CD2-CG1 4.35Å; L570-I651 HydrophobicContact CD2-CG2 4.28Å
571	E	87.9	Confident	79.5	Confident	5 Å²	5	28.2 Å²	28.2	2%	0.023	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	153.1	170.1	-74.3	176.3	-163.9	0	0	111.1	H549 C550 L551 N573 G574 T575 K577	H549-E571 IonicContact CE1-OE2 2.79Å; H549-E571 IonicContact CG-OE2 2.68Å; H549-E571 IonicContact ND1-OE1 3.75Å; H549-E571 IonicContact ND1-OE2 3.39Å; H549-E571 PolarHBondContact ND1-OE2 3.11Å; C550-E571 CarbonylContact O-C 3.57Å; C550-E571 WeakPolarHBondContact O-CA 3.5Å; L551-E571 HydrophobicContact CD2-CG 3.91Å; E571-N573 VanDerWaalsContact CB-OD1 3.3Å; E571-N573 WeakPolarHBondContact CB-OD1 3.46Å; E571-N573 PolarHBondContact O-N 3.4Å; E571-N573 VanDerWaalsContact O-N 3.08Å; E571-N573 PolarHBondContact OE2-ND2 3.27Å; E571-G574 WeakPolarHBondContact O-CA 3.26Å; E571-G574 PolarHBondContact O-N 3.23Å; E571-T575 PolarHBondContact N-O 2.95Å; E571-K577 VanDerWaalsContact OE1-CD 3.32Å; E571-K577 WeakPolarHBondContact OE1-CD 3.28Å; E571-K577 WeakPolarHBondContact OE1-CE 3.33Å; E571-K577 IonicContact OE1-NZ 2.72Å; E571-K577 PolarHBondContact OE1-NZ 2.74Å; E571-K577 IonicContact OE2-NZ 3.99Å; E571-K577 PolarHBondContact OE2-NZ 2.69Å
572	R	80.9	Confident	80.2	Confident	127 Å²	127	29.9 Å²	29.9	48%	0.479	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-13.6	178.7	-171.3	-178.9	-176.4	-162.2	4.2	114	C550 G574	C550-R572 HydrophobicContact CB-CB 4.02Å; C550-R572 VanDerWaalsContact O-CB 3.27Å; C550-R572 WeakPolarHBondContact O-CB 3.45Å; C550-R572 PolarHBondContact O-N 2.89Å; R572-G574 VanDerWaalsContact C-N 3.29Å
573	N	76.6	Confident	81	Confident	51 Å²	51	30.5 Å²	30.5	27%	0.273	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.7	169.1	60.7	31.6	0	0	0	112.9	E548 E571 T575	E548-N573 PolarHBondContact O-ND2 3.37Å; E571-N573 VanDerWaalsContact CB-OD1 3.3Å; E571-N573 WeakPolarHBondContact CB-OD1 3.46Å; E571-N573 PolarHBondContact O-N 3.4Å; E571-N573 VanDerWaalsContact O-N 3.08Å; E571-N573 PolarHBondContact OE2-ND2 3.27Å; N573-T575 VanDerWaalsContact OD1-CB 3.28Å; N573-T575 WeakPolarHBondContact OD1-CB 3.38Å; N573-T575 VanDerWaalsContact OD1-CG2 3.3Å; N573-T575 WeakPolarHBondContact OD1-CG2 3.28Å; N573-T575 PolarHBondContact OD1-N 2.74Å; N573-T575 PolarHBondContact OD1-OG1 3.22Å
574	G	77.5	Confident	81.6	Confident	18 Å²	18	34 Å²	34	19%	0.186	17%	0.166	C	C	.	.	S	Bend	trans	99.7	-2.8	-178	0	0	0	0	0	114.9	E571 R572	E571-G574 WeakPolarHBondContact O-CA 3.26Å; E571-G574 PolarHBondContact O-N 3.23Å; R572-G574 VanDerWaalsContact C-N 3.29Å
575	T	83.4	Confident	82.1	Confident	30 Å²	30	36.6 Å²	36.6	18%	0.184	18%	0.18	C	C	.	.			trans	-74.4	146.5	176.6	65.9	0	0	0	0	111.4	E571 N573	E571-T575 PolarHBondContact N-O 2.95Å; N573-T575 VanDerWaalsContact OD1-CB 3.28Å; N573-T575 WeakPolarHBondContact OD1-CB 3.38Å; N573-T575 VanDerWaalsContact OD1-CG2 3.3Å; N573-T575 WeakPolarHBondContact OD1-CG2 3.28Å; N573-T575 PolarHBondContact OD1-N 2.74Å; N573-T575 PolarHBondContact OD1-OG1 3.22Å
576	I	87	Confident	82.3	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.7	176.7	-59.9	172.8	0	0	0	107.7	L568 A569 L570 W592 L594 I651	L568-I576 HydrophobicContact CD2-CG2 4.24Å; A569-I576 CarbonylContact O-C 3.55Å; A569-I576 WeakPolarHBondContact O-CA 3.31Å; L570-I576 HydrophobicContact CD1-CG1 3.88Å; I576-W592 HydrophobicContact CG2-CZ3 4.3Å; I576-L594 HydrophobicContact CB-CB 4.08Å; I576-L594 HydrophobicContact CB-CD2 4.07Å; I576-L594 HydrophobicContact CD1-CD2 3.95Å; I576-L594 HydrophobicContact CG2-CD2 4.49Å; I576-L594 WeakPolarHBondContact O-CB 3.4Å; I576-L594 PolarHBondContact O-N 2.73Å; I576-I651 HydrophobicContact CD1-CG2 3.79Å
577	K	86.3	Confident	82.3	Confident	19 Å²	19	46.7 Å²	46.7	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150.7	-179.5	-70.2	169.8	-173.2	170.7	0	110.3	L568 A569 E571 V590 E593	L568-K577 CarbonylContact C-O 3.03Å; L568-K577 WeakPolarHBondContact CA-O 3.49Å; A569-K577 PolarHBondContact N-O 2.76Å; A569-K577 PolarHBondContact O-N 3.18Å; E571-K577 VanDerWaalsContact OE1-CD 3.32Å; E571-K577 WeakPolarHBondContact OE1-CD 3.28Å; E571-K577 WeakPolarHBondContact OE1-CE 3.33Å; E571-K577 IonicContact OE1-NZ 2.72Å; E571-K577 PolarHBondContact OE1-NZ 2.74Å; E571-K577 IonicContact OE2-NZ 3.99Å; E571-K577 PolarHBondContact OE2-NZ 2.69Å; K577-V590 HydrophobicContact CB-CG1 4.22Å; K577-V590 HydrophobicContact CD-CG1 4.42Å; K577-V590 HydrophobicContact CG-CG1 4.33Å; K577-E593 VanDerWaalsContact CE-CD 3.44Å; K577-E593 WeakPolarHBondContact CE-OE2 3.47Å; K577-E593 HydrophobicContact CG-CB 4.12Å; K577-E593 HydrophobicContact CG-CG 3.82Å
578	M	86.4	Confident	82.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.1	171.3	-178.9	166.8	43.1	0	0	109	L557 L566 L568 I591 W592 I621 F623	L557-M578 HydrophobicContact CD1-CG 4.26Å; L557-M578 HydrophobicContact CD1-SD 3.51Å; L557-M578 VanDerWaalsContact CD1-SD 3.51Å; L566-M578 HydrophobicContact CD2-CG 4.11Å; L566-M578 HydrophobicContact CD2-SD 4.13Å; L568-M578 HydrophobicContact CD2-CB 3.85Å; L568-M578 HydrophobicContact CD2-CG 4.27Å; M578-I591 HydrophobicContact CB-CG1 4.37Å; M578-I591 HydrophobicContact CE-CD1 4.04Å; M578-I591 HydrophobicContact CE-CG1 4.45Å; M578-I591 HydrophobicContact CG-CD1 4.11Å; M578-I591 HydrophobicContact CG-CG1 4.11Å; M578-I591 WeakPolarHBondContact O-CG1 3.36Å; M578-I591 PolarHBondContact O-N 3.07Å; M578-I591 HydrophobicContact SD-CD1 4.3Å; M578-W592 HydrophobicContact CB-CB 4.17Å; M578-W592 HydrophobicContact CB-CD2 4.25Å; M578-W592 HydrophobicContact CB-CE3 3.51Å; M578-W592 HydrophobicContact CB-CZ3 4.13Å; M578-W592 HydrophobicContact CE-CB 3.69Å; M578-W592 HydrophobicContact CE-CD2 3.8Å; M578-W592 HydrophobicContact CE-CE3 4.02Å; M578-W592 HydrophobicContact CE-CG 3.77Å; M578-W592 PolarHBondContact N-O 3.35Å; M578-I621 HydrophobicContact CE-CG2 3.43Å; M578-I621 VanDerWaalsContact CE-CG2 3.43Å; M578-I621 HydrophobicContact SD-CG2 3.97Å; M578-F623 HydrophobicContact CE-CB 4.41Å
579	I	87.1	Confident	82	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131	-177.7	-59.9	165.3	0	0	0	107.5	V524 L538 L566 V567 A569 L588 M589 V590	V524-I579 HydrophobicContact CB-CD1 4.29Å; V524-I579 HydrophobicContact CG1-CD1 4.44Å; V524-I579 HydrophobicContact CG2-CD1 3.77Å; L538-I579 HydrophobicContact CD2-CD1 3.83Å; L538-I579 HydrophobicContact CD2-CG1 4.26Å; L566-I579 WeakPolarHBondContact CA-O 3.24Å; V567-I579 PolarHBondContact N-O 3.1Å; V567-I579 PolarHBondContact O-N 3.47Å; A569-I579 HydrophobicContact CB-CD1 3.81Å; I579-L588 HydrophobicContact CG2-CB 3.7Å; I579-L588 HydrophobicContact CG2-CD1 4.14Å; I579-L588 HydrophobicContact CG2-CG 4.36Å; I579-M589 CarbonylContact C-O 3.56Å; I579-M589 WeakPolarHBondContact CA-O 3.39Å; I579-V590 HydrophobicContact CG1-CG2 4.23Å
580	Q	84.1	Confident	81.7	Confident	14 Å²	14	54.9 Å²	54.9	7%	0.065	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.9	177.4	-169.9	-172.9	49.2	0	0	110.1	H565 L566 M589 I591	H565-Q580 CarbonylContact O-C 3.47Å; H565-Q580 WeakPolarHBondContact O-CA 3.41Å; L566-Q580 HydrophobicContact CD2-CB 3.79Å; L566-Q580 HydrophobicContact CD2-CG 3.76Å; L566-Q580 HydrophobicContact CG-CG 4.46Å; Q580-M589 PolarHBondContact N-O 3.33Å; Q580-M589 PolarHBondContact O-N 3.34Å; Q580-I591 HydrophobicContact CB-CD1 3.9Å; Q580-I591 HydrophobicContact CB-CG1 4.05Å; Q580-I591 HydrophobicContact CB-CG2 3.67Å
581	G	80.6	Confident	81.2	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.8	159.2	0	0	0	0	0	109.7	H565 L588	H565-G581 PolarHBondContact N-O 3.2Å; H565-G581 PolarHBondContact O-N 3.29Å; G581-L588 VanDerWaalsContact CA-CD2 3.46Å
582	K	73.6	Confident	80.6	Confident	102 Å²	102	56.3 Å²	56.3	44%	0.443	28%	0.275	S	S	.	.			trans	-81.6	161.3	166.5	-61	-179.9	-166.6	157.8	0	109.8	K536 D585	K536-K582 WeakPolarHBondContact CE-O 3.21Å; K536-K582 PolarHBondContact NZ-O 2.97Å; K582-D585 HydrophobicContact CB-CB 4.33Å; K582-D585 WeakPolarHBondContact CD-OD2 3.37Å; K582-D585 IonicContact NZ-OD2 2.95Å
583	E	67.1	Low	80.7	Confident	110 Å²	110	55.1 Å²	55.1	51%	0.514	27%	0.274	S	S	.	.	S	Bend	trans	-59.2	-57	-176.9	-169.8	158.8	-143.5	0	0	113.1	K536 H563 D585	K536-E583 PolarHBondContact NZ-O 3.31Å; H563-E583 HydrophobicContact CB-CB 3.94Å; H563-E583 VanDerWaalsContact CB-CD 3.46Å; H563-E583 HydrophobicContact CB-CG 4.12Å; H563-E583 VanDerWaalsContact CB-OE2 3.28Å; H563-E583 WeakPolarHBondContact CB-OE2 3.45Å; H563-E583 IonicContact CD2-OE2 3.67Å; H563-E583 IonicContact CE1-OE1 2.76Å; H563-E583 IonicContact CG-OE1 3.65Å; H563-E583 IonicContact CG-OE2 3.55Å; H563-E583 VanDerWaalsContact CG-OE2 3.26Å; H563-E583 VanDerWaalsContact ND1-CD 3.3Å; H563-E583 IonicContact ND1-OE1 3.6Å; H563-E583 PolarHBondContact ND1-OE1 3.03Å; H563-E583 IonicContact ND1-OE2 2.71Å; H563-E583 PolarHBondContact ND1-OE2 3.3Å; E583-D585 PolarHBondContact O-N 2.96Å
584	D	69.9	Low	80.8	Confident	159 Å²	159	53.1 Å²	53.1	85%	0.85	26%	0.264	S	S	*	.	S	Bend	trans	-70.5	-24.7	-177.4	-61.4	-55.1	0	0	0	114.5
585	D	78	Confident	80.4	Confident	73 Å²	73	54 Å²	54	39%	0.39	27%	0.266	S	S	.	.			trans	-86.9	121.2	-175.6	-76.9	-47.6	0	0	0	111.3	K536 K582 E583 Y587	K536-D585 PolarHBondContact NZ-O 3.11Å; K582-D585 HydrophobicContact CB-CB 4.33Å; K582-D585 WeakPolarHBondContact CD-OD2 3.37Å; K582-D585 IonicContact NZ-OD2 2.95Å; E583-D585 PolarHBondContact O-N 2.96Å; D585-Y587 PolarHBondContact O-N 3.43Å
586	I	82.9	Confident	79.8	Confident	113 Å²	113	56.7 Å²	56.7	58%	0.579	28%	0.279	S	S	*	.	S	Bend	trans	-67.2	-26.5	169.3	-57.1	173.6	0	0	0	110.5	K536 V537	K536-I586 CarbonylContact C-O 3.55Å; K536-I586 WeakPolarHBondContact CA-O 3.18Å; K536-I586 WeakPolarHBondContact CB-O 3.34Å; V537-I586 HydrophobicContact CG1-CG2 4.49Å; V537-I586 PolarHBondContact N-O 3.02Å
587	Y	85.1	Confident	78.9	Confident	145 Å²	145	56.7 Å²	56.7	57%	0.569	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-84.7	131.9	179.9	-64.5	-68.1	0	0	0	112.4	V537 P539 D585	V537-Y587 HydrophobicContact CG1-CD1 4.14Å; V537-Y587 HydrophobicContact CG1-CE1 4.23Å; V537-Y587 WeakPolarHBondContact O-CA 3.4Å; P539-Y587 HydrophobicContact CG-CD1 4.1Å; P539-Y587 HydrophobicContact CG-CE1 4.24Å; D585-Y587 PolarHBondContact O-N 3.43Å
588	L	86.6	Confident	78	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.016	28%	0.279	C	S	.	.			trans	-81.4	149.8	167	-59.9	178.4	0	0	0	109.9	V524 I526 K536 V537 L538 I579 G581	V524-L588 HydrophobicContact CB-CD1 4.39Å; V524-L588 HydrophobicContact CG1-CD1 4.04Å; I526-L588 HydrophobicContact CD1-CD1 4.26Å; I526-L588 HydrophobicContact CD1-CD2 3.91Å; I526-L588 HydrophobicContact CG1-CD1 4.13Å; K536-L588 HydrophobicContact CB-CD2 3.61Å; K536-L588 HydrophobicContact CB-CG 3.94Å; K536-L588 HydrophobicContact CD-CD2 4.06Å; K536-L588 HydrophobicContact CG-CD2 4.44Å; V537-L588 PolarHBondContact O-N 2.98Å; L538-L588 HydrophobicContact CB-CB 3.88Å; L538-L588 HydrophobicContact CB-CD1 4.19Å; L538-L588 HydrophobicContact CD1-CB 4.38Å; L538-L588 VanDerWaalsContact CD1-O 3.26Å; L538-L588 WeakPolarHBondContact CD1-O 3.25Å; I579-L588 HydrophobicContact CG2-CB 3.7Å; I579-L588 HydrophobicContact CG2-CD1 4.14Å; I579-L588 HydrophobicContact CG2-CG 4.36Å; G581-L588 VanDerWaalsContact CA-CD2 3.46Å
589	M	82.6	Confident	76.8	Confident	119 Å²	119	58.2 Å²	58.2	59%	0.586	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.4	179	-67.7	-64.3	-64.3	0	0	111.3	I579 Q580 I591	I579-M589 CarbonylContact C-O 3.56Å; I579-M589 WeakPolarHBondContact CA-O 3.39Å; Q580-M589 PolarHBondContact N-O 3.33Å; Q580-M589 PolarHBondContact O-N 3.34Å; M589-I591 PolarHBondContact O-N 3.13Å
590	V	83	Confident	75.6	Confident	55 Å²	55	61.2 Å²	61.2	33%	0.333	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.8	166.7	-178.1	0	0	0	0	108.2	L538 K577 I579	L538-V590 HydrophobicContact CD2-CG2 4.3Å; K577-V590 HydrophobicContact CB-CG1 4.22Å; K577-V590 HydrophobicContact CD-CG1 4.42Å; K577-V590 HydrophobicContact CG-CG1 4.33Å; I579-V590 HydrophobicContact CG1-CG2 4.23Å
591	I	79.1	Confident	74.6	Confident	24 Å²	24	60.9 Å²	60.9	12%	0.123	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-20.7	-175.5	55.8	157.6	0	0	0	114.1	L566 M578 Q580 M589 R617 I621	L566-I591 HydrophobicContact CD2-CD1 3.86Å; M578-I591 HydrophobicContact CB-CG1 4.37Å; M578-I591 HydrophobicContact CE-CD1 4.04Å; M578-I591 HydrophobicContact CE-CG1 4.45Å; M578-I591 HydrophobicContact CG-CD1 4.11Å; M578-I591 HydrophobicContact CG-CG1 4.11Å; M578-I591 WeakPolarHBondContact O-CG1 3.36Å; M578-I591 PolarHBondContact O-N 3.07Å; M578-I591 HydrophobicContact SD-CD1 4.3Å; Q580-I591 HydrophobicContact CB-CD1 3.9Å; Q580-I591 HydrophobicContact CB-CG1 4.05Å; Q580-I591 HydrophobicContact CB-CG2 3.67Å; M589-I591 PolarHBondContact O-N 3.13Å; I591-R617 PolarHBondContact O-NH1 3.33Å; I591-R617 PolarHBondContact O-NH2 2.86Å; I591-I621 HydrophobicContact CD1-CD1 4.33Å; I591-I621 HydrophobicContact CD1-CG2 4.35Å
592	W	75.8	Confident	73.7	Confident	12 Å²	12	65.2 Å²	65.2	5%	0.045	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	142.4	-172.3	169.9	102	0	0	0	109.3	L568 I576 M578 L594 F623 P624 F676	L568-W592 HydrophobicContact CD2-CE3 4.5Å; L568-W592 HydrophobicContact CD2-CH2 4.49Å; L568-W592 HydrophobicContact CD2-CZ3 3.77Å; I576-W592 HydrophobicContact CG2-CZ3 4.3Å; M578-W592 HydrophobicContact CB-CB 4.17Å; M578-W592 HydrophobicContact CB-CD2 4.25Å; M578-W592 HydrophobicContact CB-CE3 3.51Å; M578-W592 HydrophobicContact CB-CZ3 4.13Å; M578-W592 HydrophobicContact CE-CB 3.69Å; M578-W592 HydrophobicContact CE-CD2 3.8Å; M578-W592 HydrophobicContact CE-CE3 4.02Å; M578-W592 HydrophobicContact CE-CG 3.77Å; M578-W592 PolarHBondContact N-O 3.35Å; W592-L594 HydrophobicContact CH2-CB 3.93Å; W592-L594 HydrophobicContact CH2-CD1 3.8Å; W592-L594 HydrophobicContact CH2-CD2 4.41Å; W592-L594 HydrophobicContact CH2-CG 4.27Å; W592-L594 HydrophobicContact CZ2-CB 4.31Å; W592-L594 HydrophobicContact CZ2-CD1 3.63Å; W592-L594 HydrophobicContact CZ3-CB 4.04Å; W592-F623 HydrophobicContact CZ2-CB 4.12Å; W592-P624 PolarHBondContact NE1-O 2.91Å; W592-F676 HydrophobicContact CH2-CZ 4.43Å; W592-F676 HydrophobicContact CZ2-CE1 4.1Å; W592-F676 HydrophobicContact CZ2-CZ 4.18Å
593	E	81.2	Confident	72.8	Confident	102 Å²	102	66.7 Å²	66.7	48%	0.477	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.4	173.3	-178.4	171	157.6	0	0	107	K577 P595	K577-E593 VanDerWaalsContact CE-CD 3.44Å; K577-E593 WeakPolarHBondContact CE-OE2 3.47Å; K577-E593 HydrophobicContact CG-CB 4.12Å; K577-E593 HydrophobicContact CG-CG 3.82Å; E593-P595 WeakPolarHBondContact O-CD 3.3Å
594	L	79.4	Confident	72.3	Confident	9 Å²	9	64 Å²	64	5%	0.047	34%	0.337	C	S	.	.			trans	-71.3	122.9	-176.7	-172.3	64.4	0	0	0	109.2	I576 W592 D596 W674 F676	I576-L594 HydrophobicContact CB-CB 4.08Å; I576-L594 HydrophobicContact CB-CD2 4.07Å; I576-L594 HydrophobicContact CD1-CD2 3.95Å; I576-L594 HydrophobicContact CG2-CD2 4.49Å; I576-L594 WeakPolarHBondContact O-CB 3.4Å; I576-L594 PolarHBondContact O-N 2.73Å; W592-L594 HydrophobicContact CH2-CB 3.93Å; W592-L594 HydrophobicContact CH2-CD1 3.8Å; W592-L594 HydrophobicContact CH2-CD2 4.41Å; W592-L594 HydrophobicContact CH2-CG 4.27Å; W592-L594 HydrophobicContact CZ2-CB 4.31Å; W592-L594 HydrophobicContact CZ2-CD1 3.63Å; W592-L594 HydrophobicContact CZ3-CB 4.04Å; L594-D596 PolarHBondContact O-N 3.27Å; L594-W674 HydrophobicContact CD2-CD2 4.08Å; L594-W674 HydrophobicContact CD2-CG 4.33Å; L594-W674 HydrophobicContact CD2-CZ2 3.91Å; L594-F676 HydrophobicContact CD1-CE1 4.4Å; L594-F676 HydrophobicContact CD1-CZ 4.16Å
595	P	70	Confident	71.6	Confident	36 Å²	36	61.5 Å²	61.5	23%	0.234	32%	0.319	C	S	.	.			trans	-58	137.9	-177.2	-26.9	35.1	0	0	0	112.7	E593 V597 V626 L628	E593-P595 WeakPolarHBondContact O-CD 3.3Å; P595-V597 WeakPolarHBondContact O-CG2 3.11Å; P595-V597 PolarHBondContact O-N 3.13Å; P595-V597 VanDerWaalsContact O-N 3.08Å; P595-V626 WeakPolarHBondContact CG-O 3.4Å; P595-L628 HydrophobicContact CB-CD1 3.68Å; P595-L628 HydrophobicContact CB-CG 3.81Å; P595-L628 HydrophobicContact CG-CG 4.43Å
596	D	69.3	Low	71	Confident	87 Å²	87	64.1 Å²	64.1	47%	0.465	33%	0.328	S	S	.	.			trans	-64.3	112.5	174.7	-179.1	19.2	0	0	0	110.9	L594 V598 P599	L594-D596 PolarHBondContact O-N 3.27Å; D596-V598 WeakPolarHBondContact OD1-CB 3.45Å; D596-V598 WeakPolarHBondContact OD1-CG2 3.36Å; D596-V598 PolarHBondContact OD1-N 2.79Å; D596-P599 VanDerWaalsContact OD2-CD 3.32Å; D596-P599 WeakPolarHBondContact OD2-CD 3.41Å
597	V	69.6	Low	70.4	Confident	3 Å²	3	61 Å²	61	2%	0.018	32%	0.32	C	S	.	.			trans	-93.6	-9.8	179.8	-147.3	0	0	0	0	111.6	P595 F600 L601 V608 L628 W674 V681	P595-V597 WeakPolarHBondContact O-CG2 3.11Å; P595-V597 PolarHBondContact O-N 3.13Å; P595-V597 VanDerWaalsContact O-N 3.08Å; V597-F600 PolarHBondContact O-N 2.67Å; V597-F600 VanDerWaalsContact O-N 3.14Å; V597-L601 HydrophobicContact CB-CD1 4.22Å; V597-L601 HydrophobicContact CG1-CD1 4.11Å; V597-L601 HydrophobicContact CG1-CG 4.03Å; V597-L601 WeakPolarHBondContact O-CG 3.3Å; V597-L601 PolarHBondContact O-N 3.46Å; V597-L601 VanDerWaalsContact O-N 3.14Å; V597-V608 HydrophobicContact CG1-CG2 4.47Å; V597-L628 HydrophobicContact CG1-CD2 4.16Å; V597-W674 HydrophobicContact CG2-CZ2 4.1Å; V597-V681 HydrophobicContact CB-CG1 4.49Å; V597-V681 HydrophobicContact CG1-CB 4.25Å; V597-V681 HydrophobicContact CG1-CG1 4.19Å; V597-V681 HydrophobicContact CG1-CG2 4.34Å; V597-V681 HydrophobicContact CG2-CG1 4.24Å; V597-V681 HydrophobicContact CG2-CG2 4.2Å
598	V	66.9	Low	70.1	Confident	13 Å²	13	55 Å²	55	8%	0.079	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-41.1	-176.3	170.3	0	0	0	0	113.5	D596 Q602 M643 L646 I672	D596-V598 WeakPolarHBondContact OD1-CB 3.45Å; D596-V598 WeakPolarHBondContact OD1-CG2 3.36Å; D596-V598 PolarHBondContact OD1-N 2.79Å; V598-Q602 PolarHBondContact O-NE2 3.21Å; V598-M643 HydrophobicContact CB-CE 4.36Å; V598-M643 HydrophobicContact CG1-CE 3.75Å; V598-M643 HydrophobicContact CG1-SD 4.45Å; V598-L646 HydrophobicContact CB-CB 4.48Å; V598-L646 HydrophobicContact CG1-CB 3.36Å; V598-L646 HydrophobicContact CG1-CD2 3.87Å; V598-L646 HydrophobicContact CG1-CG 4.19Å; V598-L646 HydrophobicContact CG2-CB 4.31Å; V598-I672 HydrophobicContact CG2-CD1 4.48Å
599	P	61.1	Low	69.6	Low	38 Å²	38	60.7 Å²	60.7	25%	0.247	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-44.1	175.9	-21.5	32.1	0	0	0	112.1	D596 L601 Q602 M643	D596-P599 VanDerWaalsContact OD2-CD 3.32Å; D596-P599 WeakPolarHBondContact OD2-CD 3.41Å; P599-L601 VanDerWaalsContact C-N 3.34Å; P599-L601 PolarHBondContact O-N 3.39Å; P599-Q602 WeakPolarHBondContact O-CB 3.38Å; P599-Q602 PolarHBondContact O-N 3.17Å; P599-M643 HydrophobicContact CG-CE 3.95Å
600	F	62.1	Low	69.2	Low	68 Å²	68	55.6 Å²	55.6	30%	0.298	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.9	-172.4	-57.3	-84.5	0	0	0	113.2	V597 Q602 V608 L628 V630	V597-F600 PolarHBondContact O-N 2.67Å; V597-F600 VanDerWaalsContact O-N 3.14Å; F600-Q602 VanDerWaalsContact C-N 3.26Å; F600-Q602 PolarHBondContact O-N 3Å; F600-V608 HydrophobicContact CB-CG2 4.45Å; F600-L628 HydrophobicContact CD2-CD1 3.76Å; F600-L628 HydrophobicContact CE2-CD1 3.55Å; F600-L628 HydrophobicContact CZ-CD1 4.29Å; F600-V630 HydrophobicContact CE1-CG2 4.34Å; F600-V630 HydrophobicContact CZ-CG2 4.3Å
601	L	63.8	Low	68.5	Low	8 Å²	8	59.6 Å²	59.6	4%	0.042	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.8	176.1	-62	174.3	0	0	0	113.6	V597 P599 K605 V608 I672 K683	V597-L601 HydrophobicContact CB-CD1 4.22Å; V597-L601 HydrophobicContact CG1-CD1 4.11Å; V597-L601 HydrophobicContact CG1-CG 4.03Å; V597-L601 WeakPolarHBondContact O-CG 3.3Å; V597-L601 PolarHBondContact O-N 3.46Å; V597-L601 VanDerWaalsContact O-N 3.14Å; P599-L601 VanDerWaalsContact C-N 3.34Å; P599-L601 PolarHBondContact O-N 3.39Å; L601-K605 WeakPolarHBondContact CD2-O 3.3Å; L601-V608 HydrophobicContact CD2-CG2 4.05Å; L601-I672 HydrophobicContact CD1-CD1 4.2Å; L601-I672 HydrophobicContact CD1-CG1 4.3Å; L601-I672 HydrophobicContact CD1-CG2 4.03Å; L601-K683 HydrophobicContact CD1-CB 4.37Å; L601-K683 HydrophobicContact CD2-CB 4.16Å
602	Q	60.2	Low	67.9	Low	91 Å²	91	61.4 Å²	61.4	43%	0.425	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-32.6	171.2	-67.1	177.6	44.6	0	0	112.6	V598 P599 F600 G604 M643 L646	V598-Q602 PolarHBondContact O-NE2 3.21Å; P599-Q602 WeakPolarHBondContact O-CB 3.38Å; P599-Q602 PolarHBondContact O-N 3.17Å; F600-Q602 VanDerWaalsContact C-N 3.26Å; F600-Q602 PolarHBondContact O-N 3Å; Q602-G604 PolarHBondContact O-N 2.88Å; Q602-M643 PolarHBondContact NE2-SD 3.01Å; Q602-L646 HydrophobicContact CG-CD2 4.18Å
603	D	55.2	Low	67.3	Low	133 Å²	133	61.7 Å²	61.7	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	25.4	-179.6	-85.6	-9.3	0	0	0	114.7	K605	D603-K605 PolarHBondContact O-N 2.88Å
604	G	55.6	Low	65.7	Low	53 Å²	53	62.6 Å²	62.6	55%	0.546	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	-4.4	178.2	0	0	0	0	0	115.9	Q602 H606	Q602-G604 PolarHBondContact O-N 2.88Å; G604-H606 PolarHBondContact O-CD2 3.45Å; G604-H606 PolarHBondContact O-N 3.31Å; G604-H606 VanDerWaalsContact O-N 3.07Å
605	K	56.7	Low	64.2	Low	107 Å²	107	70.6 Å²	70.6	47%	0.465	37%	0.366	S	S	.	.			trans	-72.3	97.9	172.1	-70.2	-175.3	176.4	-179.2	0	110	L601 D603 A607 E631	L601-K605 WeakPolarHBondContact CD2-O 3.3Å; D603-K605 PolarHBondContact O-N 2.88Å; K605-A607 PolarHBondContact O-N 2.93Å; K605-E631 IonicContact NZ-OE2 2.7Å; K605-E631 PolarHBondContact NZ-OE2 3.02Å
606	H	64.4	Low	62.8	Low	127 Å²	127	76.6 Å²	76.6	59%	0.588	40%	0.397	S	S	*	.	S	Bend	trans	-65	-20.7	179.6	-71.3	-97.8	0	0	0	114.3	G604 K683	G604-H606 PolarHBondContact O-CD2 3.45Å; G604-H606 PolarHBondContact O-N 3.31Å; G604-H606 VanDerWaalsContact O-N 3.07Å; H606-K683 PolarHBondContact O-N 3.44Å
607	A	71.1	Confident	61.9	Low	48 Å²	48	77.8 Å²	77.8	40%	0.397	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.3	175.7	0	0	0	0	0	110.7	K605 V681 K682	K605-A607 PolarHBondContact O-N 2.93Å; A607-V681 CarbonylContact C-O 3.59Å; A607-V681 VanDerWaalsContact CA-O 3.31Å; A607-V681 WeakPolarHBondContact CA-O 3.49Å; A607-K682 HydrophobicContact CB-CG 4.03Å
608	V	77.9	Confident	60.6	Low	18 Å²	18	85.3 Å²	85.3	11%	0.109	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.8	177.3	-177	0	0	0	0	108.6	V597 F600 L601 L628 T680 V681	V597-V608 HydrophobicContact CG1-CG2 4.47Å; F600-V608 HydrophobicContact CB-CG2 4.45Å; L601-V608 HydrophobicContact CD2-CG2 4.05Å; V608-L628 HydrophobicContact CG1-CD2 4.01Å; V608-T680 WeakPolarHBondContact O-CA 3.36Å; V608-V681 PolarHBondContact N-O 2.82Å; V608-V681 PolarHBondContact O-N 2.94Å
609	H	75.6	Confident	59.7	Low	123 Å²	123	88.3 Å²	88.3	57%	0.569	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	136	174	-78	-80	0	0	0	111	I629 T680	H609-I629 HydrophobicContact CB-CD1 4.06Å; H609-T680 WeakPolarHBondContact ND1-CG2 3.47Å
610	L	76.1	Confident	59.3	Low	12 Å²	12	88.3 Å²	88.3	6%	0.063	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	138.7	177.5	-61.7	176.1	0	0	0	109.5	V626 L628 S679 V681	L610-V626 HydrophobicContact CB-CG1 3.91Å; L610-V626 HydrophobicContact CB-CG2 4.31Å; L610-V626 HydrophobicContact CD1-CG1 3.93Å; L610-V626 HydrophobicContact CD1-CG2 4.33Å; L610-V626 HydrophobicContact CD2-CG1 3.52Å; L610-V626 HydrophobicContact CG-CG1 3.97Å; L610-L628 HydrophobicContact CD2-CD2 3.81Å; L610-S679 PolarHBondContact N-O 2.89Å; L610-V681 HydrophobicContact CD1-CG2 3.87Å; L610-V681 HydrophobicContact CD2-CG2 3.46Å; L610-V681 VanDerWaalsContact CD2-CG2 3.46Å; L610-V681 HydrophobicContact CG-CG2 3.85Å
611	R	67.8	Low	59.3	Low	139 Å²	139	86.6 Å²	86.6	53%	0.525	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.8	167	-176.3	179.9	-173.2	-169.2	2	108.6	S613 V626 E627 I629	R611-S613 PolarHBondContact O-N 2.97Å; R611-V626 WeakPolarHBondContact O-CA 3.44Å; R611-E627 HydrophobicContact CB-CB 4.46Å; R611-E627 PolarHBondContact N-O 3.18Å; R611-E627 PolarHBondContact O-N 3.29Å; R611-I629 HydrophobicContact CB-CD1 4.35Å; R611-I629 HydrophobicContact CB-CG1 3.87Å
612	V	67	Low	59.2	Low	63 Å²	63	86.5 Å²	86.5	38%	0.382	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	125.3	164.6	174.9	0	0	0	0	108.4	T614 P624 D625	V612-T614 PolarHBondContact O-N 2.96Å; V612-P624 HydrophobicContact CB-CB 4.49Å; V612-P624 HydrophobicContact CG1-CB 3.88Å; V612-P624 HydrophobicContact CG2-CB 3.99Å; V612-P624 HydrophobicContact CG2-CG 4.12Å; V612-D625 WeakPolarHBondContact CA-O 3.4Å
613	S	61.3	Low	59.6	Low	18 Å²	18	82.2 Å²	82.2	13%	0.126	43%	0.425	C	S	.	.			trans	-74.5	123.2	-179.4	-159.9	0	0	0	0	109.6	R611 R615 D625 E627	R611-S613 PolarHBondContact O-N 2.97Å; S613-R615 PolarHBondContact O-N 3.43Å; S613-D625 PolarHBondContact N-O 3.26Å; S613-E627 WeakPolarHBondContact CB-OE1 3.05Å; S613-E627 PolarHBondContact OG-OE1 3.11Å
614	T	48.4	Very low	60	Low	121 Å²	121	77.7 Å²	77.7	74%	0.742	40%	0.403	S	S	*	.			trans	-83.8	44.4	-177.6	62.5	0	0	0	0	111.7	V612	V612-T614 PolarHBondContact O-N 2.96Å
615	R	48.9	Very low	60.2	Low	176 Å²	176	76.5 Å²	76.5	66%	0.664	39%	0.385	S	S	*	.			trans	-89.8	118.1	172.9	-67.2	-178.3	-176.5	-165	1.7	107.7	S613 R617	S613-R615 PolarHBondContact O-N 3.43Å; R615-R617 PolarHBondContact O-N 3.12Å
616	D	39.4	Very low	60.7	Low	162 Å²	162	72 Å²	72	87%	0.866	37%	0.366	S	S	*	.			trans	-67.4	79.9	174.1	-68.7	-41.9	0	0	0	110.8
617	R	49.9	Very low	60.7	Low	112 Å²	112	69.6 Å²	69.6	42%	0.423	36%	0.355	S	S	.	.			trans	-82.4	116.4	156.9	-76.9	174.6	159.1	178.9	-13.4	106.2	I591 R615 M619 D625	I591-R617 PolarHBondContact O-NH1 3.33Å; I591-R617 PolarHBondContact O-NH2 2.86Å; R615-R617 PolarHBondContact O-N 3.12Å; R617-M619 PolarHBondContact O-N 3.47Å; R617-D625 WeakPolarHBondContact CD-OD2 3.43Å; R617-D625 IonicContact CZ-OD2 3.42Å; R617-D625 IonicContact NE-OD2 3.55Å; R617-D625 IonicContact NH1-OD1 3.27Å; R617-D625 PolarHBondContact NH1-OD1 3.37Å; R617-D625 IonicContact NH1-OD2 3.49Å; R617-D625 PolarHBondContact NH1-OD2 2.81Å
618	N	42.4	Very low	60.3	Low	161 Å²	161	68.7 Å²	68.7	86%	0.861	34%	0.344	S	S	*	.	S	Bend	trans	-71.4	43.5	178.6	-71.4	-12.2	0	0	0	112.8
619	M	49.1	Very low	59.4	Low	77 Å²	77	72.6 Å²	72.6	38%	0.379	36%	0.363	S	S	.	.	S	Bend	trans	-142.8	133.3	-174.6	-78.6	-179.7	156.2	0	0	111.6	E561 R617 I621	E561-M619 VanDerWaalsContact OE1-CA 3.31Å; E561-M619 WeakPolarHBondContact OE1-CA 3.49Å; R617-M619 PolarHBondContact O-N 3.47Å; M619-I621 VanDerWaalsContact C-N 3.3Å; M619-I621 HydrophobicContact CB-CG1 4.38Å; M619-I621 PolarHBondContact O-N 3.07Å
620	A	52.7	Low	58.3	Low	38 Å²	38	70.9 Å²	70.9	31%	0.314	36%	0.361	S	S	.	.			trans	-79.4	71.4	176.7	0	0	0	0	0	111.7	Q560 E561	Q560-A620 HydrophobicContact CB-CB 4.28Å; E561-A620 HydrophobicContact CG-CB 4.42Å; E561-A620 PolarHBondContact OE1-N 2.9Å
621	I	61.2	Low	56.7	Low	31 Å²	31	76.8 Å²	76.8	16%	0.159	39%	0.388	C	S	.	.			trans	-66.4	132.3	175.2	-52.1	175.3	0	0	0	109.1	M578 I591 M619 F623	M578-I621 HydrophobicContact CE-CG2 3.43Å; M578-I621 VanDerWaalsContact CE-CG2 3.43Å; M578-I621 HydrophobicContact SD-CG2 3.97Å; I591-I621 HydrophobicContact CD1-CD1 4.33Å; I591-I621 HydrophobicContact CD1-CG2 4.35Å; M619-I621 VanDerWaalsContact C-N 3.3Å; M619-I621 HydrophobicContact CB-CG1 4.38Å; M619-I621 PolarHBondContact O-N 3.07Å; I621-F623 VanDerWaalsContact CG2-O 3.23Å; I621-F623 WeakPolarHBondContact CG2-O 3.31Å; I621-F623 PolarHBondContact O-N 3.33Å; I621-F623 VanDerWaalsContact O-N 3.11Å
622	P	62.3	Low	55.1	Low	7 Å²	7	81.5 Å²	81.5	5%	0.045	41%	0.406	C	S	.	.	S	Bend	trans	-57.8	-25.6	-178.7	-28.7	36.8	0	0	0	115.2	K558 L566 N660	K558-P622 WeakPolarHBondContact O-CG 3.21Å; L566-P622 VanDerWaalsContact CD1-CD 3.48Å; L566-P622 HydrophobicContact CD1-CG 3.83Å; P622-N660 PolarHBondContact O-ND2 2.94Å
623	F	67.8	Low	53.6	Low	0 Å²	0	86.6 Å²	86.6	0%	0	43%	0.431	C	S	.	.	S	Bend	trans	-119.6	135.6	172.4	-67.1	-69.6	0	0	0	110	L557 L568 M578 W592 I621 L653 N660 I662 F676	L557-F623 HydrophobicContact CD1-CD2 3.83Å; L557-F623 HydrophobicContact CD1-CE2 3.82Å; L557-F623 HydrophobicContact CD2-CE2 3.83Å; L557-F623 HydrophobicContact CG-CE2 4.5Å; L568-F623 HydrophobicContact CD1-CE2 4.29Å; M578-F623 HydrophobicContact CE-CB 4.41Å; W592-F623 HydrophobicContact CZ2-CB 4.12Å; I621-F623 VanDerWaalsContact CG2-O 3.23Å; I621-F623 WeakPolarHBondContact CG2-O 3.31Å; I621-F623 PolarHBondContact O-N 3.33Å; I621-F623 VanDerWaalsContact O-N 3.11Å; F623-L653 HydrophobicContact CE2-CD1 4.24Å; F623-L653 HydrophobicContact CZ-CD1 3.63Å; F623-N660 WeakPolarHBondContact CE1-OD1 3.43Å; F623-N660 WeakPolarHBondContact CZ-OD1 3.35Å; F623-I662 HydrophobicContact CE1-CD1 4.06Å; F623-I662 HydrophobicContact CE1-CG1 4.11Å; F623-I662 HydrophobicContact CE2-CD1 4.07Å; F623-I662 HydrophobicContact CZ-CD1 3.76Å; F623-I662 HydrophobicContact CZ-CG1 3.81Å; F623-F676 HydrophobicContact CD1-CB 4.23Å; F623-F676 AromaticContact CD1-CD1 3.86Å; F623-F676 HydrophobicContact CD1-CD1 3.86Å; F623-F676 AromaticContact CD1-CD2 3.39Å; F623-F676 HydrophobicContact CD1-CD2 3.39Å; F623-F676 AromaticContact CD1-CE1 4Å; F623-F676 HydrophobicContact CD1-CE1 4Å; F623-F676 AromaticContact CD1-CE2 3.54Å; F623-F676 HydrophobicContact CD1-CE2 3.54Å; F623-F676 AromaticContact CD1-CG 3.55Å; F623-F676 HydrophobicContact CD1-CG 3.55Å; F623-F676 AromaticContact CD1-CZ 3.84Å; F623-F676 HydrophobicContact CD1-CZ 3.84Å; F623-F676 AromaticContact CE1-CD2 3.37Å; F623-F676 HydrophobicContact CE1-CD2 3.37Å; F623-F676 AromaticContact CE1-CE2 3.51Å; F623-F676 HydrophobicContact CE1-CE2 3.51Å; F623-F676 AromaticContact CE1-CG 4Å; F623-F676 HydrophobicContact CE1-CG 4Å; F623-F676 HydrophobicContact CE1-CZ 4.23Å
624	P	63.8	Low	52.4	Low	38 Å²	38	89 Å²	89	25%	0.247	45%	0.452	C	S	.	.			trans	-65.2	147.3	173	25.8	-32	0	0	0	111.5	W592 V612 V626 F676	W592-P624 PolarHBondContact NE1-O 2.91Å; V612-P624 HydrophobicContact CB-CB 4.49Å; V612-P624 HydrophobicContact CG1-CB 3.88Å; V612-P624 HydrophobicContact CG2-CB 3.99Å; V612-P624 HydrophobicContact CG2-CG 4.12Å; P624-V626 HydrophobicContact CB-CG2 4.48Å; P624-V626 HydrophobicContact CG-CG2 4.1Å; P624-V626 WeakPolarHBondContact O-CG2 3.28Å; P624-V626 PolarHBondContact O-N 3.42Å; P624-F676 HydrophobicContact CG-CD1 4.11Å
625	D	61.4	Low	51.8	Low	29 Å²	29	88.4 Å²	88.4	16%	0.155	45%	0.453	C	S	.	.			trans	-57.9	126.6	161.4	-79.5	-31.8	0	0	0	108.7	V612 S613 R617	V612-D625 WeakPolarHBondContact CA-O 3.4Å; S613-D625 PolarHBondContact N-O 3.26Å; R617-D625 WeakPolarHBondContact CD-OD2 3.43Å; R617-D625 IonicContact CZ-OD2 3.42Å; R617-D625 IonicContact NE-OD2 3.55Å; R617-D625 IonicContact NH1-OD1 3.27Å; R617-D625 PolarHBondContact NH1-OD1 3.37Å; R617-D625 IonicContact NH1-OD2 3.49Å; R617-D625 PolarHBondContact NH1-OD2 2.81Å
626	V	65.4	Low	51.3	Low	13 Å²	13	89.2 Å²	89.2	8%	0.079	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.5	-168	152.2	0	0	0	0	110.9	P595 L610 R611 P624 F676	P595-V626 WeakPolarHBondContact CG-O 3.4Å; L610-V626 HydrophobicContact CB-CG1 3.91Å; L610-V626 HydrophobicContact CB-CG2 4.31Å; L610-V626 HydrophobicContact CD1-CG1 3.93Å; L610-V626 HydrophobicContact CD1-CG2 4.33Å; L610-V626 HydrophobicContact CD2-CG1 3.52Å; L610-V626 HydrophobicContact CG-CG1 3.97Å; R611-V626 WeakPolarHBondContact O-CA 3.44Å; P624-V626 HydrophobicContact CB-CG2 4.48Å; P624-V626 HydrophobicContact CG-CG2 4.1Å; P624-V626 WeakPolarHBondContact O-CG2 3.28Å; P624-V626 PolarHBondContact O-N 3.42Å; V626-F676 HydrophobicContact CG2-CD1 4.39Å; V626-F676 HydrophobicContact CG2-CE1 4.4Å
627	E	64.8	Low	51.2	Low	76 Å²	76	85.3 Å²	85.3	36%	0.355	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.5	173.7	-66.6	168.1	-150.9	0	0	109.6	R611 S613	R611-E627 HydrophobicContact CB-CB 4.46Å; R611-E627 PolarHBondContact N-O 3.18Å; R611-E627 PolarHBondContact O-N 3.29Å; S613-E627 WeakPolarHBondContact CB-OE1 3.05Å; S613-E627 PolarHBondContact OG-OE1 3.11Å
628	L	62.4	Low	50.4	Low	29 Å²	29	84.5 Å²	84.5	15%	0.152	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.3	174.2	-69.6	169.9	0	0	0	110.5	P595 V597 F600 V608 L610 V630	P595-L628 HydrophobicContact CB-CD1 3.68Å; P595-L628 HydrophobicContact CB-CG 3.81Å; P595-L628 HydrophobicContact CG-CG 4.43Å; V597-L628 HydrophobicContact CG1-CD2 4.16Å; F600-L628 HydrophobicContact CD2-CD1 3.76Å; F600-L628 HydrophobicContact CE2-CD1 3.55Å; F600-L628 HydrophobicContact CZ-CD1 4.29Å; V608-L628 HydrophobicContact CG1-CD2 4.01Å; L610-L628 HydrophobicContact CD2-CD2 3.81Å; L628-V630 VanDerWaalsContact C-N 3.32Å; L628-V630 HydrophobicContact CB-CG2 4.43Å; L628-V630 PolarHBondContact O-N 3.48Å
629	I	59.4	Low	50.3	Low	100 Å²	100	85 Å²	85	51%	0.513	46%	0.461	S	S	.	.			trans	-76.8	86	175.8	-58.3	175.8	0	0	0	109	H609 R611 E631	H609-I629 HydrophobicContact CB-CD1 4.06Å; R611-I629 HydrophobicContact CB-CD1 4.35Å; R611-I629 HydrophobicContact CB-CG1 3.87Å; I629-E631 PolarHBondContact O-N 2.68Å
630	V	52.8	Low	50.1	Low	86 Å²	86	85.7 Å²	85.7	52%	0.521	47%	0.467	S	S	.	.			trans	-78.2	102.7	178.5	-178.4	0	0	0	0	110.5	F600 L628 R632	F600-V630 HydrophobicContact CE1-CG2 4.34Å; F600-V630 HydrophobicContact CZ-CG2 4.3Å; L628-V630 VanDerWaalsContact C-N 3.32Å; L628-V630 HydrophobicContact CB-CG2 4.43Å; L628-V630 PolarHBondContact O-N 3.48Å; V630-R632 PolarHBondContact O-N 2.88Å
631	E	43.5	Very low	49.9	Very low	137 Å²	137	89.2 Å²	89.2	64%	0.64	49%	0.487	S	S	*	.			trans	-62.1	117.2	155.1	-65.2	179.1	119.1	0	0	108	K605 I629 N633	K605-E631 IonicContact NZ-OE2 2.7Å; K605-E631 PolarHBondContact NZ-OE2 3.02Å; I629-E631 PolarHBondContact O-N 2.68Å; E631-N633 PolarHBondContact O-N 3.28Å
632	R	33.4	Very low	49.1	Very low	237 Å²	237	90.4 Å²	90.4	89%	0.894	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	89.3	179.4	-80	-178.1	172.4	162.9	-3.4	111	V630	V630-R632 PolarHBondContact O-N 2.88Å
633	N	35.1	Very low	48.6	Very low	171 Å²	171	92.3 Å²	92.3	91%	0.914	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-162.6	14.2	160.5	-97.6	-23.9	0	0	0	114.8	E631	E631-N633 PolarHBondContact O-N 3.28Å
634	A	35.4	Very low	48.1	Very low	68 Å²	68	96.3 Å²	96.3	56%	0.562	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-100.6	120.5	172.2	0	0	0	0	0	111.2
635	S	37.2	Very low	47.9	Very low	109 Å²	109	96.6 Å²	96.6	76%	0.762	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-74.8	139.6	170.3	52.9	0	0	0	0	110.9	P637	S635-P637 WeakPolarHBondContact O-CD 3.24Å
636	Q	37.3	Very low	48.1	Very low	193 Å²	193	96 Å²	96	90%	0.902	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-55.3	123.7	172.8	-70.9	178.8	-51	0	0	110.7	S638	Q636-S638 PolarHBondContact O-N 3Å
637	P	38.3	Very low	48.8	Very low	79 Å²	79	99.8 Å²	99.8	51%	0.513	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-76.6	122.4	177.1	29	-31.9	0	0	0	110.6	S635	S635-P637 WeakPolarHBondContact O-CD 3.24Å
638	S	33.7	Very low	49.8	Very low	96 Å²	96	96.6 Å²	96.6	67%	0.671	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-63.3	144.1	166.5	52.9	0	0	0	0	111.1	Q636 N640	Q636-S638 PolarHBondContact O-N 3Å; S638-N640 PolarHBondContact O-N 2.81Å
639	N	38.9	Very low	51	Low	170 Å²	170	96.2 Å²	96.2	91%	0.909	53%	0.528	S	S	*	.			trans	-26.7	92.9	-179.6	-68.9	6.1	0	0	0	114.9
640	N	45.3	Very low	52.4	Low	92 Å²	92	91.9 Å²	91.9	49%	0.492	51%	0.506	S	S	.	.			trans	-104.4	125.5	178	-98.5	-33	0	0	0	109.3	S638 A642 M643	S638-N640 PolarHBondContact O-N 2.81Å; N640-A642 PolarHBondContact O-N 2.98Å; N640-M643 WeakPolarHBondContact O-CB 3.46Å; N640-M643 PolarHBondContact O-N 2.83Å
641	P	47.5	Very low	54.3	Low	113 Å²	113	88.2 Å²	88.2	73%	0.734	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-7.7	-178.8	27	-35.2	0	0	0	114	M643	P641-M643 VanDerWaalsContact C-N 3.35Å
642	A	46.5	Very low	56.5	Low	56 Å²	56	83.5 Å²	83.5	46%	0.463	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-31	169	0	0	0	0	0	113.1	N640 D644 S645	N640-A642 PolarHBondContact O-N 2.98Å; A642-D644 VanDerWaalsContact C-N 3.27Å; A642-D644 PolarHBondContact O-N 3.22Å; A642-S645 WeakPolarHBondContact O-CB 3.25Å; A642-S645 PolarHBondContact O-N 2.85Å; A642-S645 VanDerWaalsContact O-N 3.12Å; A642-S645 PolarHBondContact O-OG 2.76Å
643	M	51.7	Low	59.2	Low	47 Å²	47	73.8 Å²	73.8	23%	0.232	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-60.1	-38	-178.3	-70.9	-60.8	-64.8	0	0	112.1	V598 P599 Q602 N640 P641 S645 L646	V598-M643 HydrophobicContact CB-CE 4.36Å; V598-M643 HydrophobicContact CG1-CE 3.75Å; V598-M643 HydrophobicContact CG1-SD 4.45Å; P599-M643 HydrophobicContact CG-CE 3.95Å; Q602-M643 PolarHBondContact NE2-SD 3.01Å; N640-M643 WeakPolarHBondContact O-CB 3.46Å; N640-M643 PolarHBondContact O-N 2.83Å; P641-M643 VanDerWaalsContact C-N 3.35Å; M643-S645 PolarHBondContact O-N 3.43Å; M643-S645 VanDerWaalsContact O-N 3.07Å; M643-L646 PolarHBondContact O-N 3.1Å; M643-L646 VanDerWaalsContact O-N 3.09Å
644	D	57.2	Low	61.8	Low	84 Å²	84	66.4 Å²	66.4	45%	0.449	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21.1	179.3	-75.6	-1.2	0	0	0	113.7	A642 R647	A642-D644 VanDerWaalsContact C-N 3.27Å; A642-D644 PolarHBondContact O-N 3.22Å; D644-R647 VanDerWaalsContact CG-NH2 3.3Å; D644-R647 IonicContact OD1-CZ 3.68Å; D644-R647 VanDerWaalsContact OD1-CZ 3.25Å; D644-R647 IonicContact OD1-NE 3.98Å; D644-R647 PolarHBondContact OD1-NE 2.87Å; D644-R647 IonicContact OD1-NH2 3.4Å; D644-R647 PolarHBondContact OD1-NH2 3.32Å; D644-R647 IonicContact OD2-NH2 2.65Å; D644-R647 PolarHBondContact OD2-NH2 2.83Å
645	S	59.4	Low	64	Low	43 Å²	43	65.4 Å²	65.4	30%	0.301	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-78.5	-22.3	178.2	71.9	0	0	0	0	114.1	A642 M643 N668	A642-S645 WeakPolarHBondContact O-CB 3.25Å; A642-S645 PolarHBondContact O-N 2.85Å; A642-S645 VanDerWaalsContact O-N 3.12Å; A642-S645 PolarHBondContact O-OG 2.76Å; M643-S645 PolarHBondContact O-N 3.43Å; M643-S645 VanDerWaalsContact O-N 3.07Å; S645-N668 WeakPolarHBondContact O-CB 3.46Å; S645-N668 PolarHBondContact O-N 3.4Å; S645-N668 PolarHBondContact O-ND2 2.84Å; S645-N668 PolarHBondContact O-OD1 3.38Å
646	L	64.7	Low	66	Low	18 Å²	18	63.2 Å²	63.2	9%	0.094	35%	0.354	C	S	.	.	S	Bend	trans	-98.4	2	179.5	-84.9	84.8	0	0	0	113.8	V598 Q602 M643 V648 T666 N668	V598-L646 HydrophobicContact CB-CB 4.48Å; V598-L646 HydrophobicContact CG1-CB 3.36Å; V598-L646 HydrophobicContact CG1-CD2 3.87Å; V598-L646 HydrophobicContact CG1-CG 4.19Å; V598-L646 HydrophobicContact CG2-CB 4.31Å; Q602-L646 HydrophobicContact CG-CD2 4.18Å; M643-L646 PolarHBondContact O-N 3.1Å; M643-L646 VanDerWaalsContact O-N 3.09Å; L646-V648 PolarHBondContact O-N 2.87Å; L646-T666 VanDerWaalsContact O-CG2 3.27Å; L646-T666 WeakPolarHBondContact O-CG2 3.4Å; L646-N668 WeakPolarHBondContact CD1-ND2 3.28Å; L646-N668 WeakPolarHBondContact CG-ND2 3.36Å
647	R	79.7	Confident	67.6	Low	91 Å²	91	63.1 Å²	63.1	34%	0.343	35%	0.354	S	S	.	.			trans	-54.5	140.5	177.2	-64.6	179.9	-175.4	-153.7	8.1	111.2	D644 T666 L667	D644-R647 VanDerWaalsContact CG-NH2 3.3Å; D644-R647 IonicContact OD1-CZ 3.68Å; D644-R647 VanDerWaalsContact OD1-CZ 3.25Å; D644-R647 IonicContact OD1-NE 3.98Å; D644-R647 PolarHBondContact OD1-NE 2.87Å; D644-R647 IonicContact OD1-NH2 3.4Å; D644-R647 PolarHBondContact OD1-NH2 3.32Å; D644-R647 IonicContact OD2-NH2 2.65Å; D644-R647 PolarHBondContact OD2-NH2 2.83Å; R647-T666 VanDerWaalsContact O-CA 3.27Å; R647-T666 WeakPolarHBondContact O-CA 3.48Å; R647-T666 WeakPolarHBondContact O-CB 3.09Å; R647-L667 HydrophobicContact CB-CD1 4.07Å; R647-L667 PolarHBondContact O-N 2.66Å
648	V	85.6	Confident	69.3	Low	10 Å²	10	62.3 Å²	62.3	6%	0.061	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	140.9	171.8	174.1	0	0	0	0	109.8	L570 L646 I651 A664	L570-V648 HydrophobicContact CD1-CB 4.15Å; L570-V648 HydrophobicContact CD1-CG1 3.65Å; L570-V648 HydrophobicContact CD2-CG1 4.1Å; L646-V648 PolarHBondContact O-N 2.87Å; V648-I651 HydrophobicContact CG1-CG2 3.73Å; V648-A664 HydrophobicContact CG1-CB 3.8Å; V648-A664 HydrophobicContact CG2-CB 3.9Å
649	N	87.8	Confident	71.6	Confident	21 Å²	21	60.3 Å²	60.3	11%	0.112	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-29.9	178.5	177.6	81	0	0	0	113	Q552 G665 L667 K703 I704 N705	Q552-N649 PolarHBondContact NE2-O 3.03Å; Q552-N649 PolarHBondContact NE2-OD1 3.15Å; Q552-N649 VanDerWaalsContact NE2-OD1 3.1Å; N649-G665 PolarHBondContact N-O 2.79Å; N649-L667 HydrophobicContact CB-CD2 3.76Å; N649-L667 HydrophobicContact CB-CG 4.33Å; N649-K703 VanDerWaalsContact OD1-CE 3.28Å; N649-K703 WeakPolarHBondContact OD1-CE 3.5Å; N649-I704 PolarHBondContact ND2-O 3.46Å; N649-N705 PolarHBondContact ND2-O 2.97Å
650	C	88.6	Confident	73.8	Confident	9 Å²	9	53.6 Å²	53.6	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.2	176.7	53.9	0	0	0	0	110.2	A664 G665 I707	C650-A664 CarbonylContact O-C 3.52Å; C650-A664 VanDerWaalsContact O-CA 3.3Å; C650-A664 WeakPolarHBondContact O-CA 3.44Å; C650-G665 PolarHBondContact N-O 2.67Å; C650-G665 PolarHBondContact O-N 3.42Å; C650-I707 HydrophobicContact CB-CG2 4.1Å
651	I	92.7	Very high	75.9	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.046	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149	176.5	58.2	166.7	0	0	0	111	R553 V555 L570 I576 V648 A663 A664	R553-I651 HydrophobicContact CB-CG1 4.4Å; R553-I651 HydrophobicContact CG-CG1 4.22Å; V555-I651 HydrophobicContact CG2-CD1 4.48Å; L570-I651 HydrophobicContact CB-CD1 4.02Å; L570-I651 HydrophobicContact CB-CG1 4.43Å; L570-I651 HydrophobicContact CD1-CG2 4.39Å; L570-I651 HydrophobicContact CD2-CG1 4.35Å; L570-I651 HydrophobicContact CD2-CG2 4.28Å; I576-I651 HydrophobicContact CD1-CG2 3.79Å; V648-I651 HydrophobicContact CG1-CG2 3.73Å; I651-A663 CarbonylContact C-O 3.54Å; I651-A663 VanDerWaalsContact CA-O 3.28Å; I651-A663 WeakPolarHBondContact CA-O 3.47Å; I651-A664 HydrophobicContact CG2-CB 3.89Å
652	D	91.1	Very high	77.9	Confident	37 Å²	37	43.9 Å²	43.9	20%	0.198	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161.6	169.2	-169.5	32.2	0	0	0	111.6	A663 I707 L708 F709	D652-A663 PolarHBondContact N-O 3.06Å; D652-A663 PolarHBondContact O-N 2.94Å; D652-I707 HydrophobicContact CB-CG2 4.14Å; D652-I707 WeakPolarHBondContact CB-O 3.28Å; D652-L708 WeakPolarHBondContact OD2-CA 3.35Å; D652-F709 HydrophobicContact CB-CD2 4.22Å; D652-F709 WeakPolarHBondContact OD2-CD2 3.31Å; D652-F709 PolarHBondContact OD2-N 2.95Å
653	L	90.7	Very high	80.1	Confident	33 Å²	33	41.2 Å²	41.2	17%	0.173	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.3	-165.5	170.2	65.7	0	0	0	111.1	V555 L557 F623 Q655 I662	V555-L653 HydrophobicContact CG1-CD2 3.99Å; L557-L653 HydrophobicContact CD2-CD1 4.45Å; L557-L653 HydrophobicContact CD2-CD2 3.48Å; L557-L653 VanDerWaalsContact CD2-CD2 3.48Å; F623-L653 HydrophobicContact CE2-CD1 4.24Å; F623-L653 HydrophobicContact CZ-CD1 3.63Å; L653-Q655 HydrophobicContact CD1-CB 4.39Å; L653-I662 HydrophobicContact CD1-CG1 4.2Å
654	L	87.9	Confident	81.9	Confident	16 Å²	16	39 Å²	39	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	108.9	167.3	-172.9	69.7	0	0	0	110.5	V656 Y659 N660 L661 F709 F711 P783	L654-V656 HydrophobicContact CD1-CG2 3.76Å; L654-V656 HydrophobicContact CG-CG2 4.24Å; L654-Y659 HydrophobicContact CD2-CG 4.32Å; L654-N660 WeakPolarHBondContact O-CA 3.47Å; L654-L661 HydrophobicContact CB-CB 4.38Å; L654-L661 HydrophobicContact CD2-CD1 4.35Å; L654-L661 PolarHBondContact N-O 2.8Å; L654-L661 PolarHBondContact O-N 2.86Å; L654-F709 HydrophobicContact CB-CB 4.33Å; L654-F709 HydrophobicContact CB-CD1 4.19Å; L654-F709 HydrophobicContact CB-CD2 3.78Å; L654-F709 HydrophobicContact CB-CE1 4.4Å; L654-F709 HydrophobicContact CB-CE2 4.01Å; L654-F709 HydrophobicContact CB-CG 3.87Å; L654-F709 HydrophobicContact CB-CZ 4.32Å; L654-F709 HydrophobicContact CD2-CD1 4.22Å; L654-F709 HydrophobicContact CD2-CG 4.47Å; L654-F711 HydrophobicContact CD1-CB 4Å; L654-F711 HydrophobicContact CD1-CG 4.36Å; L654-F711 HydrophobicContact CD2-CB 4.31Å; L654-F711 HydrophobicContact CD2-CG 4.43Å; L654-P783 HydrophobicContact CD2-CB 3.66Å; L654-P783 HydrophobicContact CD2-CG 3.64Å
655	Q	82.7	Confident	83.4	Confident	48 Å²	48	35 Å²	35	22%	0.224	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	92	179.3	-169.7	-172.9	-8.1	0	0	109.5	K558 L653 Y659	K558-Q655 PolarHBondContact O-NE2 3.5Å; L653-Q655 HydrophobicContact CD1-CB 4.39Å; Q655-Y659 CarbonylContact C-O 3.53Å; Q655-Y659 WeakPolarHBondContact CA-O 3.38Å
656	V	79.7	Confident	84.8	Confident	63 Å²	63	33 Å²	33	38%	0.382	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	163.2	-177.3	-172.6	0	0	0	0	108.7	L654 G658 Y659 F711	L654-V656 HydrophobicContact CD1-CG2 3.76Å; L654-V656 HydrophobicContact CG-CG2 4.24Å; V656-G658 PolarHBondContact O-N 2.82Å; V656-G658 VanDerWaalsContact O-N 3.12Å; V656-Y659 PolarHBondContact N-O 2.92Å; V656-Y659 CarbonylContact O-C 3.37Å; V656-Y659 PolarHBondContact O-N 2.91Å; V656-F711 HydrophobicContact CG1-CE1 3.95Å; V656-F711 HydrophobicContact CG2-CD1 4.41Å; V656-F711 HydrophobicContact CG2-CE1 4.44Å
657	E	70.3	Confident	85.7	Confident	190 Å²	190	34.7 Å²	34.7	89%	0.888	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	121.9	172.7	-64.9	-173.2	170.4	0	0	111.3	Y659	E657-Y659 VanDerWaalsContact C-N 3.35Å; E657-Y659 PolarHBondContact O-N 2.75Å
658	G	73	Confident	85.6	Confident	63 Å²	63	32 Å²	32	65%	0.649	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-15.5	-174.9	0	0	0	0	0	116.2	V656	V656-G658 PolarHBondContact O-N 2.82Å; V656-G658 VanDerWaalsContact O-N 3.12Å
659	Y	82.8	Confident	85.4	Confident	53 Å²	53	31.6 Å²	31.6	21%	0.208	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117	-177.2	-64.6	-70.3	0	0	0	112.2	L654 Q655 V656 E657 L661 F711 P783	L654-Y659 HydrophobicContact CD2-CG 4.32Å; Q655-Y659 CarbonylContact C-O 3.53Å; Q655-Y659 WeakPolarHBondContact CA-O 3.38Å; V656-Y659 PolarHBondContact N-O 2.92Å; V656-Y659 CarbonylContact O-C 3.37Å; V656-Y659 PolarHBondContact O-N 2.91Å; E657-Y659 VanDerWaalsContact C-N 3.35Å; E657-Y659 PolarHBondContact O-N 2.75Å; Y659-L661 HydrophobicContact CD1-CD1 4.08Å; Y659-F711 HydrophobicContact CD2-CE2 4.11Å; Y659-F711 HydrophobicContact CD2-CZ 4.33Å; Y659-F711 AromaticContact CE2-CE2 3.78Å; Y659-F711 HydrophobicContact CE2-CE2 3.78Å; Y659-F711 HydrophobicContact CE2-CZ 4.23Å; Y659-P783 HydrophobicContact CD1-CG 4.34Å; Y659-P783 HydrophobicContact CE1-CG 4.22Å
660	N	85.3	Confident	85.2	Confident	29 Å²	29	30.8 Å²	30.8	16%	0.155	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	89.3	169.4	-162.4	11.5	0	0	0	108.3	P622 F623 L654 F676 V677	P622-N660 PolarHBondContact O-ND2 2.94Å; F623-N660 WeakPolarHBondContact CE1-OD1 3.43Å; F623-N660 WeakPolarHBondContact CZ-OD1 3.35Å; L654-N660 WeakPolarHBondContact O-CA 3.47Å; N660-F676 PolarHBondContact O-N 3.45Å; N660-F676 VanDerWaalsContact O-N 3.07Å; N660-V677 HydrophobicContact CB-CG2 3.71Å
661	L	89.2	Confident	85.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.8	-166.9	-53.2	-179.4	0	0	0	111.6	L654 Y659 L673 W674 N675 F709 P783 L799	L654-L661 HydrophobicContact CB-CB 4.38Å; L654-L661 HydrophobicContact CD2-CD1 4.35Å; L654-L661 PolarHBondContact N-O 2.8Å; L654-L661 PolarHBondContact O-N 2.86Å; Y659-L661 HydrophobicContact CD1-CD1 4.08Å; L661-L673 HydrophobicContact CB-CD1 4.26Å; L661-L673 HydrophobicContact CD1-CD1 4.48Å; L661-W674 WeakPolarHBondContact CA-O 3.18Å; L661-N675 HydrophobicContact CD2-CB 3.58Å; L661-N675 VanDerWaalsContact CD2-CG 3.41Å; L661-F709 HydrophobicContact CB-CE1 4.26Å; L661-F709 HydrophobicContact CB-CE2 4.39Å; L661-F709 HydrophobicContact CB-CZ 3.7Å; L661-F709 HydrophobicContact CD1-CE1 3.85Å; L661-F709 HydrophobicContact CD1-CZ 4.16Å; L661-P783 HydrophobicContact CD1-CG 4.3Å; L661-L799 HydrophobicContact CD1-CD1 4.01Å; L661-L799 HydrophobicContact CD1-CD2 4.22Å
662	I	90.5	Very high	85	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.8	161.7	-63.3	174.3	0	0	0	107.6	L568 F623 L653 L673 W674 F676	L568-I662 HydrophobicContact CD1-CD1 3.9Å; F623-I662 HydrophobicContact CE1-CD1 4.06Å; F623-I662 HydrophobicContact CE1-CG1 4.11Å; F623-I662 HydrophobicContact CE2-CD1 4.07Å; F623-I662 HydrophobicContact CZ-CD1 3.76Å; F623-I662 HydrophobicContact CZ-CG1 3.81Å; L653-I662 HydrophobicContact CD1-CG1 4.2Å; I662-L673 WeakPolarHBondContact O-CA 3.35Å; I662-W674 HydrophobicContact CB-CB 4.46Å; I662-W674 HydrophobicContact CB-CE3 4.38Å; I662-W674 HydrophobicContact CG2-CE3 4.16Å; I662-W674 PolarHBondContact N-O 3.2Å; I662-W674 PolarHBondContact O-N 3.27Å; I662-F676 HydrophobicContact CB-CE2 4.32Å; I662-F676 HydrophobicContact CD1-CE2 3.85Å; I662-F676 HydrophobicContact CD1-CZ 4.14Å; I662-F676 HydrophobicContact CG1-CE2 3.98Å
663	A	90.9	Very high	84.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.3	169.9	0	0	0	0	0	110.3	I651 D652 I672 L673 I707 F709 L785	I651-A663 CarbonylContact C-O 3.54Å; I651-A663 VanDerWaalsContact CA-O 3.28Å; I651-A663 WeakPolarHBondContact CA-O 3.47Å; D652-A663 PolarHBondContact N-O 3.06Å; D652-A663 PolarHBondContact O-N 2.94Å; A663-I672 CarbonylContact C-O 3.57Å; A663-I672 WeakPolarHBondContact CA-O 3.39Å; A663-L673 HydrophobicContact CB-CD1 4.21Å; A663-I707 HydrophobicContact CB-CD1 3.93Å; A663-F709 HydrophobicContact CB-CE1 4.44Å; A663-F709 HydrophobicContact CB-CE2 3.71Å; A663-F709 HydrophobicContact CB-CZ 3.6Å; A663-L785 HydrophobicContact CB-CD1 4.26Å; A663-L785 HydrophobicContact CB-CD2 3.75Å
664	A	90.6	Very high	84.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.7	174.7	0	0	0	0	0	111.5	V648 C650 I651 I671 I672 W674	V648-A664 HydrophobicContact CG1-CB 3.8Å; V648-A664 HydrophobicContact CG2-CB 3.9Å; C650-A664 CarbonylContact O-C 3.52Å; C650-A664 VanDerWaalsContact O-CA 3.3Å; C650-A664 WeakPolarHBondContact O-CA 3.44Å; I651-A664 HydrophobicContact CG2-CB 3.89Å; A664-I671 WeakPolarHBondContact O-CA 3.3Å; A664-I672 PolarHBondContact N-O 2.98Å; A664-I672 PolarHBondContact O-N 3.12Å; A664-W674 HydrophobicContact CB-CH2 3.82Å; A664-W674 HydrophobicContact CB-CZ3 3.49Å; A664-W674 VanDerWaalsContact CB-CZ3 3.49Å
665	G	89.1	Confident	84.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134	169.7	0	0	0	0	0	111.6	N649 C650	N649-G665 PolarHBondContact N-O 2.79Å; C650-G665 PolarHBondContact N-O 2.67Å; C650-G665 PolarHBondContact O-N 3.42Å
666	T	87.6	Confident	84.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	167.4	-178.2	68.5	0	0	0	0	113.8	L646 R647 N668 G669 V670 I672 I704	L646-T666 VanDerWaalsContact O-CG2 3.27Å; L646-T666 WeakPolarHBondContact O-CG2 3.4Å; R647-T666 VanDerWaalsContact O-CA 3.27Å; R647-T666 WeakPolarHBondContact O-CA 3.48Å; R647-T666 WeakPolarHBondContact O-CB 3.09Å; T666-N668 PolarHBondContact O-N 3.19Å; T666-N668 VanDerWaalsContact O-N 3.13Å; T666-N668 PolarHBondContact OG1-N 3.39Å; T666-N668 PolarHBondContact OG1-OD1 2.71Å; T666-G669 PolarHBondContact O-N 2.97Å; T666-V670 HydrophobicContact CG2-CB 4.15Å; T666-V670 PolarHBondContact N-O 2.75Å; T666-V670 WeakPolarHBondContact OG1-CB 3.44Å; T666-V670 PolarHBondContact OG1-N 3.07Å; T666-V670 PolarHBondContact OG1-O 2.81Å; T666-I672 HydrophobicContact CG2-CD1 4.14Å; T666-I672 HydrophobicContact CG2-CG1 4.4Å; T666-I704 PolarHBondContact O-N 3.31Å; T666-I704 VanDerWaalsContact O-N 3.15Å
667	L	83.6	Confident	84.9	Confident	55 Å²	55	27.7 Å²	27.7	29%	0.288	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.3	173.3	-65.7	-179.6	0	0	0	115.2	R647 N649 K703	R647-L667 HydrophobicContact CB-CD1 4.07Å; R647-L667 PolarHBondContact O-N 2.66Å; N649-L667 HydrophobicContact CB-CD2 3.76Å; N649-L667 HydrophobicContact CB-CG 4.33Å; L667-K703 HydrophobicContact CD2-CD 3.8Å; L667-K703 VanDerWaalsContact CD2-CE 3.49Å; L667-K703 HydrophobicContact CD2-CG 3.97Å
668	N	79	Confident	85.3	Confident	33 Å²	33	22.2 Å²	22.2	18%	0.176	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	18.1	-179.3	69.4	-8.3	0	0	0	115.3	S645 L646 T666	S645-N668 WeakPolarHBondContact O-CB 3.46Å; S645-N668 PolarHBondContact O-N 3.4Å; S645-N668 PolarHBondContact O-ND2 2.84Å; S645-N668 PolarHBondContact O-OD1 3.38Å; L646-N668 WeakPolarHBondContact CD1-ND2 3.28Å; L646-N668 WeakPolarHBondContact CG-ND2 3.36Å; T666-N668 PolarHBondContact O-N 3.19Å; T666-N668 VanDerWaalsContact O-N 3.13Å; T666-N668 PolarHBondContact OG1-N 3.39Å; T666-N668 PolarHBondContact OG1-OD1 2.71Å
669	G	80.1	Confident	85.6	Confident	2 Å²	2	20.7 Å²	20.7	2%	0.021	11%	0.114	C	C	.	.	S	Bend	trans	82.7	20.8	172.4	0	0	0	0	0	114.8	T666 F702	T666-G669 PolarHBondContact O-N 2.97Å; G669-F702 WeakPolarHBondContact CA-O 3.28Å; G669-F702 PolarHBondContact N-O 3.16Å
670	V	85	Confident	85.6	Confident	4 Å²	4	18.6 Å²	18.6	2%	0.024	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.5	171.9	174.4	0	0	0	0	109.2	T666 I672 K683	T666-V670 HydrophobicContact CG2-CB 4.15Å; T666-V670 PolarHBondContact N-O 2.75Å; T666-V670 WeakPolarHBondContact OG1-CB 3.44Å; T666-V670 PolarHBondContact OG1-N 3.07Å; T666-V670 PolarHBondContact OG1-O 2.81Å; V670-I672 HydrophobicContact CG1-CG1 4.11Å; V670-K683 HydrophobicContact CG1-CD 4.11Å; V670-K683 HydrophobicContact CG1-CG 3.83Å
671	I	88.3	Confident	85.4	Confident	2 Å²	2	17.2 Å²	17.2	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.3	169.3	-59.4	171.1	0	0	0	107.8	A664 V684 I704 I707 L785 T787 W797	A664-I671 WeakPolarHBondContact O-CA 3.3Å; I671-V684 HydrophobicContact CB-CB 4.07Å; I671-V684 HydrophobicContact CB-CG1 4.46Å; I671-V684 HydrophobicContact CG2-CB 3.97Å; I671-V684 HydrophobicContact CG2-CG1 4.31Å; I671-V684 HydrophobicContact CG2-CG2 4.35Å; I671-V684 PolarHBondContact O-N 2.81Å; I671-I704 HydrophobicContact CG1-CD1 3.73Å; I671-I707 HydrophobicContact CG2-CD1 4.08Å; I671-L785 HydrophobicContact CG2-CD1 4.14Å; I671-T787 HydrophobicContact CD1-CG2 3.79Å; I671-T787 HydrophobicContact CG1-CG2 4.24Å; I671-W797 HydrophobicContact CD1-CD2 4.24Å; I671-W797 HydrophobicContact CD1-CG 3.99Å
672	I	88.1	Confident	85	Confident	4 Å²	4	21.7 Å²	21.7	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.4	172.9	-50	176.6	0	0	0	107.9	V598 L601 A663 A664 T666 V670 W674 V681	V598-I672 HydrophobicContact CG2-CD1 4.48Å; L601-I672 HydrophobicContact CD1-CD1 4.2Å; L601-I672 HydrophobicContact CD1-CG1 4.3Å; L601-I672 HydrophobicContact CD1-CG2 4.03Å; A663-I672 CarbonylContact C-O 3.57Å; A663-I672 WeakPolarHBondContact CA-O 3.39Å; A664-I672 PolarHBondContact N-O 2.98Å; A664-I672 PolarHBondContact O-N 3.12Å; T666-I672 HydrophobicContact CG2-CD1 4.14Å; T666-I672 HydrophobicContact CG2-CG1 4.4Å; V670-I672 HydrophobicContact CG1-CG1 4.11Å; I672-W674 HydrophobicContact CB-CE3 4.45Å; I672-W674 HydrophobicContact CB-CH2 3.7Å; I672-W674 HydrophobicContact CB-CZ2 4.44Å; I672-W674 HydrophobicContact CB-CZ3 3.7Å; I672-W674 HydrophobicContact CD1-CH2 4.33Å; I672-W674 HydrophobicContact CG2-CD2 4.23Å; I672-W674 HydrophobicContact CG2-CE3 3.99Å; I672-W674 HydrophobicContact CG2-CH2 3.44Å; I672-W674 VanDerWaalsContact CG2-CH2 3.44Å; I672-W674 HydrophobicContact CG2-CZ2 3.7Å; I672-W674 HydrophobicContact CG2-CZ3 3.58Å; I672-V681 HydrophobicContact CG2-CG1 3.52Å
673	L	89.1	Confident	84.5	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.8	-179.9	179.3	74	0	0	0	109.7	L661 I662 A663 V681 K682 V684 F709 L799	L661-L673 HydrophobicContact CB-CD1 4.26Å; L661-L673 HydrophobicContact CD1-CD1 4.48Å; I662-L673 WeakPolarHBondContact O-CA 3.35Å; A663-L673 HydrophobicContact CB-CD1 4.21Å; L673-V681 CarbonylContact O-C 3.57Å; L673-V681 WeakPolarHBondContact O-CA 3Å; L673-K682 PolarHBondContact N-O 2.88Å; L673-K682 PolarHBondContact O-N 2.9Å; L673-V684 HydrophobicContact CB-CG2 3.36Å; L673-V684 HydrophobicContact CD2-CG2 3.97Å; L673-V684 HydrophobicContact CG-CG2 4.3Å; L673-F709 HydrophobicContact CD1-CE1 4.24Å; L673-F709 HydrophobicContact CD1-CZ 3.88Å; L673-L799 HydrophobicContact CD1-CD2 4.47Å; L673-L799 HydrophobicContact CD2-CB 4.29Å; L673-L799 HydrophobicContact CD2-CD2 4.02Å
674	W	87.8	Confident	83.6	Confident	11 Å²	11	23.5 Å²	23.5	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.4	168.8	-62.8	-109.2	0	0	0	107.8	L594 V597 L661 I662 A664 I672 F676 V681	L594-W674 HydrophobicContact CD2-CD2 4.08Å; L594-W674 HydrophobicContact CD2-CG 4.33Å; L594-W674 HydrophobicContact CD2-CZ2 3.91Å; V597-W674 HydrophobicContact CG2-CZ2 4.1Å; L661-W674 WeakPolarHBondContact CA-O 3.18Å; I662-W674 HydrophobicContact CB-CB 4.46Å; I662-W674 HydrophobicContact CB-CE3 4.38Å; I662-W674 HydrophobicContact CG2-CE3 4.16Å; I662-W674 PolarHBondContact N-O 3.2Å; I662-W674 PolarHBondContact O-N 3.27Å; A664-W674 HydrophobicContact CB-CH2 3.82Å; A664-W674 HydrophobicContact CB-CZ3 3.49Å; A664-W674 VanDerWaalsContact CB-CZ3 3.49Å; I672-W674 HydrophobicContact CB-CE3 4.45Å; I672-W674 HydrophobicContact CB-CH2 3.7Å; I672-W674 HydrophobicContact CB-CZ2 4.44Å; I672-W674 HydrophobicContact CB-CZ3 3.7Å; I672-W674 HydrophobicContact CD1-CH2 4.33Å; I672-W674 HydrophobicContact CG2-CD2 4.23Å; I672-W674 HydrophobicContact CG2-CE3 3.99Å; I672-W674 HydrophobicContact CG2-CH2 3.44Å; I672-W674 VanDerWaalsContact CG2-CH2 3.44Å; I672-W674 HydrophobicContact CG2-CZ2 3.7Å; I672-W674 HydrophobicContact CG2-CZ3 3.58Å; W674-F676 HydrophobicContact CB-CD2 4.23Å; W674-F676 HydrophobicContact CB-CE2 3.49Å; W674-F676 VanDerWaalsContact CB-CE2 3.49Å; W674-F676 HydrophobicContact CB-CZ 3.76Å; W674-F676 HydrophobicContact CG-CE2 4.45Å; W674-F676 HydrophobicContact CG-CZ 4.32Å; W674-V681 HydrophobicContact CD2-CG1 4.09Å; W674-V681 HydrophobicContact CG-CG1 4.08Å; W674-V681 HydrophobicContact CG-CG2 4.13Å
675	N	86.1	Confident	82.6	Confident	29 Å²	29	24 Å²	24	16%	0.155	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	109.8	169.6	-178.1	-24.6	0	0	0	108.2	L661 V677 T678 S679 T680	L661-N675 HydrophobicContact CD2-CB 3.58Å; L661-N675 VanDerWaalsContact CD2-CG 3.41Å; N675-V677 WeakPolarHBondContact OD1-CA 3.38Å; N675-V677 WeakPolarHBondContact OD1-CB 3.24Å; N675-V677 PolarHBondContact OD1-N 2.85Å; N675-T678 WeakPolarHBondContact CB-OG1 3.29Å; N675-T678 PolarHBondContact ND2-OG1 3.26Å; N675-T678 PolarHBondContact OD1-N 2.98Å; N675-T678 PolarHBondContact OD1-OG1 3.18Å; N675-S679 WeakPolarHBondContact O-CA 3.15Å; N675-S679 PolarHBondContact O-N 2.83Å; N675-T680 PolarHBondContact N-O 3.07Å; N675-T680 PolarHBondContact O-N 3.26Å
676	F	83.6	Confident	81.4	Confident	10 Å²	10	28.9 Å²	28.9	4%	0.044	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-25.6	-176.8	-64.2	-91.1	0	0	0	112.1	W592 L594 F623 P624 V626 N660 I662 W674 S679	W592-F676 HydrophobicContact CH2-CZ 4.43Å; W592-F676 HydrophobicContact CZ2-CE1 4.1Å; W592-F676 HydrophobicContact CZ2-CZ 4.18Å; L594-F676 HydrophobicContact CD1-CE1 4.4Å; L594-F676 HydrophobicContact CD1-CZ 4.16Å; F623-F676 HydrophobicContact CD1-CB 4.23Å; F623-F676 AromaticContact CD1-CD1 3.86Å; F623-F676 HydrophobicContact CD1-CD1 3.86Å; F623-F676 AromaticContact CD1-CD2 3.39Å; F623-F676 HydrophobicContact CD1-CD2 3.39Å; F623-F676 AromaticContact CD1-CE1 4Å; F623-F676 HydrophobicContact CD1-CE1 4Å; F623-F676 AromaticContact CD1-CE2 3.54Å; F623-F676 HydrophobicContact CD1-CE2 3.54Å; F623-F676 AromaticContact CD1-CG 3.55Å; F623-F676 HydrophobicContact CD1-CG 3.55Å; F623-F676 AromaticContact CD1-CZ 3.84Å; F623-F676 HydrophobicContact CD1-CZ 3.84Å; F623-F676 AromaticContact CE1-CD2 3.37Å; F623-F676 HydrophobicContact CE1-CD2 3.37Å; F623-F676 AromaticContact CE1-CE2 3.51Å; F623-F676 HydrophobicContact CE1-CE2 3.51Å; F623-F676 AromaticContact CE1-CG 4Å; F623-F676 HydrophobicContact CE1-CG 4Å; F623-F676 HydrophobicContact CE1-CZ 4.23Å; P624-F676 HydrophobicContact CG-CD1 4.11Å; V626-F676 HydrophobicContact CG2-CD1 4.39Å; V626-F676 HydrophobicContact CG2-CE1 4.4Å; N660-F676 PolarHBondContact O-N 3.45Å; N660-F676 VanDerWaalsContact O-N 3.07Å; I662-F676 HydrophobicContact CB-CE2 4.32Å; I662-F676 HydrophobicContact CD1-CE2 3.85Å; I662-F676 HydrophobicContact CD1-CZ 4.14Å; I662-F676 HydrophobicContact CG1-CE2 3.98Å; W674-F676 HydrophobicContact CB-CD2 4.23Å; W674-F676 HydrophobicContact CB-CE2 3.49Å; W674-F676 VanDerWaalsContact CB-CE2 3.49Å; W674-F676 HydrophobicContact CB-CZ 3.76Å; W674-F676 HydrophobicContact CG-CE2 4.45Å; W674-F676 HydrophobicContact CG-CZ 4.32Å; F676-S679 PolarHBondContact O-N 3.48Å; F676-S679 PolarHBondContact O-OG 3.3Å
677	V	82.6	Confident	80.1	Confident	89 Å²	89	29.1 Å²	29.1	54%	0.539	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-41.7	173.2	-169.4	0	0	0	0	110.8	N660 N675	N660-V677 HydrophobicContact CB-CG2 3.71Å; N675-V677 WeakPolarHBondContact OD1-CA 3.38Å; N675-V677 WeakPolarHBondContact OD1-CB 3.24Å; N675-V677 PolarHBondContact OD1-N 2.85Å
678	T	80	Confident	78.8	Confident	76 Å²	76	31.3 Å²	31.3	47%	0.466	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.6	176	62	0	0	0	0	113.8	N675 T680	N675-T678 WeakPolarHBondContact CB-OG1 3.29Å; N675-T678 PolarHBondContact ND2-OG1 3.26Å; N675-T678 PolarHBondContact OD1-N 2.98Å; N675-T678 PolarHBondContact OD1-OG1 3.18Å; T678-T680 PolarHBondContact O-N 3.37Å; T678-T680 PolarHBondContact OG1-OG1 2.82Å
679	S	79.4	Confident	77.6	Confident	30 Å²	30	35.1 Å²	35.1	21%	0.21	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	52.5	-174	-68	0	0	0	0	113	L610 N675 F676	L610-S679 PolarHBondContact N-O 2.89Å; N675-S679 WeakPolarHBondContact O-CA 3.15Å; N675-S679 PolarHBondContact O-N 2.83Å; F676-S679 PolarHBondContact O-N 3.48Å; F676-S679 PolarHBondContact O-OG 3.3Å
680	T	81.1	Confident	76.4	Confident	10 Å²	10	37.6 Å²	37.6	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138	177.9	54.5	0	0	0	0	112.3	V608 H609 N675 T678	V608-T680 WeakPolarHBondContact O-CA 3.36Å; H609-T680 WeakPolarHBondContact ND1-CG2 3.47Å; N675-T680 PolarHBondContact N-O 3.07Å; N675-T680 PolarHBondContact O-N 3.26Å; T678-T680 PolarHBondContact O-N 3.37Å; T678-T680 PolarHBondContact OG1-OG1 2.82Å
681	V	82.4	Confident	75.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135.6	159.1	-163	0	0	0	0	108.6	V597 A607 V608 L610 I672 L673 W674	V597-V681 HydrophobicContact CB-CG1 4.49Å; V597-V681 HydrophobicContact CG1-CB 4.25Å; V597-V681 HydrophobicContact CG1-CG1 4.19Å; V597-V681 HydrophobicContact CG1-CG2 4.34Å; V597-V681 HydrophobicContact CG2-CG1 4.24Å; V597-V681 HydrophobicContact CG2-CG2 4.2Å; A607-V681 CarbonylContact C-O 3.59Å; A607-V681 VanDerWaalsContact CA-O 3.31Å; A607-V681 WeakPolarHBondContact CA-O 3.49Å; V608-V681 PolarHBondContact N-O 2.82Å; V608-V681 PolarHBondContact O-N 2.94Å; L610-V681 HydrophobicContact CD1-CG2 3.87Å; L610-V681 HydrophobicContact CD2-CG2 3.46Å; L610-V681 VanDerWaalsContact CD2-CG2 3.46Å; L610-V681 HydrophobicContact CG-CG2 3.85Å; I672-V681 HydrophobicContact CG2-CG1 3.52Å; L673-V681 CarbonylContact O-C 3.57Å; L673-V681 WeakPolarHBondContact O-CA 3Å; W674-V681 HydrophobicContact CD2-CG1 4.09Å; W674-V681 HydrophobicContact CG-CG1 4.08Å; W674-V681 HydrophobicContact CG-CG2 4.13Å
682	K	80.8	Confident	73.3	Confident	94 Å²	94	47.5 Å²	47.5	41%	0.409	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136	175.1	-64	-176.9	-179	177.5	0	110.1	A607 L673 V684	A607-K682 HydrophobicContact CB-CG 4.03Å; L673-K682 PolarHBondContact N-O 2.88Å; L673-K682 PolarHBondContact O-N 2.9Å; K682-V684 PolarHBondContact O-N 2.92Å
683	K	79.1	Confident	71.4	Confident	26 Å²	26	49.4 Å²	49.4	11%	0.113	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	102.9	160.3	178.9	169.7	178.9	171.8	0	107.1	L601 H606 V670	L601-K683 HydrophobicContact CD1-CB 4.37Å; L601-K683 HydrophobicContact CD2-CB 4.16Å; H606-K683 PolarHBondContact O-N 3.44Å; V670-K683 HydrophobicContact CG1-CD 4.11Å; V670-K683 HydrophobicContact CG1-CG 3.83Å
684	V	72.3	Confident	69.5	Low	13 Å²	13	53.6 Å²	53.6	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-44	-170.8	170.5	0	0	0	0	111.1	I671 L673 K682 G801	I671-V684 HydrophobicContact CB-CB 4.07Å; I671-V684 HydrophobicContact CB-CG1 4.46Å; I671-V684 HydrophobicContact CG2-CB 3.97Å; I671-V684 HydrophobicContact CG2-CG1 4.31Å; I671-V684 HydrophobicContact CG2-CG2 4.35Å; I671-V684 PolarHBondContact O-N 2.81Å; L673-V684 HydrophobicContact CB-CG2 3.36Å; L673-V684 HydrophobicContact CD2-CG2 3.97Å; L673-V684 HydrophobicContact CG-CG2 4.3Å; K682-V684 PolarHBondContact O-N 2.92Å; V684-G801 WeakPolarHBondContact O-CA 3.41Å
685	C	68.7	Low	67.7	Low	12 Å²	12	58.7 Å²	58.7	8%	0.081	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.8	178.4	-157.2	0	0	0	0	112.9	W797	C685-W797 HydrophobicContact CB-CE3 4.23Å; C685-W797 HydrophobicContact CB-CH2 4.42Å; C685-W797 HydrophobicContact CB-CZ3 4.04Å; C685-W797 WeakPolarHBondContact SG-CZ3 3.44Å
686	R	65.4	Low	65.7	Low	102 Å²	102	64.2 Å²	64.2	39%	0.385	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	122.1	169.9	-170.1	-178.3	-171.8	144.9	4	106.3	E688 D689	R686-E688 HydrophobicContact CG-CB 4.26Å; R686-E688 IonicContact CZ-OE2 2.77Å; R686-E688 VanDerWaalsContact CZ-OE2 3.22Å; R686-E688 IonicContact NE-OE2 3.38Å; R686-E688 PolarHBondContact NE-OE2 2.95Å; R686-E688 IonicContact NH2-OE2 2.7Å; R686-E688 PolarHBondContact NH2-OE2 3.39Å; R686-E688 PolarHBondContact O-N 2.99Å; R686-E688 VanDerWaalsContact O-N 3.13Å; R686-D689 WeakPolarHBondContact CB-OD2 3.39Å; R686-D689 WeakPolarHBondContact O-CB 3.41Å; R686-D689 PolarHBondContact O-N 2.73Å
687	L	59.1	Low	64.2	Low	5 Å²	5	67.5 Å²	67.5	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-26.5	-171.4	-143	82.8	0	0	0	113.3	D689 C690 F691 F702 W797	L687-D689 PolarHBondContact O-N 2.84Å; L687-C690 PolarHBondContact O-N 2.85Å; L687-C690 VanDerWaalsContact O-N 3.14Å; L687-F691 HydrophobicContact CD2-CD2 4.5Å; L687-F691 HydrophobicContact CG-CD2 4.2Å; L687-F691 HydrophobicContact CG-CE2 4.47Å; L687-F691 PolarHBondContact O-N 3.12Å; L687-F702 HydrophobicContact CD2-CB 4.35Å; L687-F702 HydrophobicContact CD2-CD1 3.32Å; L687-F702 HydrophobicContact CD2-CE1 3.69Å; L687-F702 HydrophobicContact CD2-CG 3.9Å; L687-W797 HydrophobicContact CD1-CH2 3.81Å; L687-W797 HydrophobicContact CD1-CZ2 3.86Å
688	E	56.2	Low	62.8	Low	101 Å²	101	69.5 Å²	69.5	47%	0.472	37%	0.372	S	S	.	.	H	α-helix	trans	-59.1	-26.1	172.8	-58.3	175.8	131.4	0	0	113.3	R686 V693	R686-E688 HydrophobicContact CG-CB 4.26Å; R686-E688 IonicContact CZ-OE2 2.77Å; R686-E688 VanDerWaalsContact CZ-OE2 3.22Å; R686-E688 IonicContact NE-OE2 3.38Å; R686-E688 PolarHBondContact NE-OE2 2.95Å; R686-E688 IonicContact NH2-OE2 2.7Å; R686-E688 PolarHBondContact NH2-OE2 3.39Å; R686-E688 PolarHBondContact O-N 2.99Å; R686-E688 VanDerWaalsContact O-N 3.13Å; E688-V693 HydrophobicContact CB-CG2 4.48Å; E688-V693 HydrophobicContact CG-CG2 4.17Å
689	D	55.1	Low	61.6	Low	113 Å²	113	69.4 Å²	69.4	60%	0.604	37%	0.373	S	S	*	.	H	α-helix	trans	-83.1	-18.4	179.5	-57.1	-17.1	0	0	0	111.9	R686 L687	R686-D689 WeakPolarHBondContact CB-OD2 3.39Å; R686-D689 WeakPolarHBondContact O-CB 3.41Å; R686-D689 PolarHBondContact O-N 2.73Å; L687-D689 PolarHBondContact O-N 2.84Å
690	C	55	Low	60.6	Low	53 Å²	53	75.5 Å²	75.5	36%	0.358	40%	0.396	S	S	.	.	H	α-helix	trans	-98.1	-26.1	-177.4	-68.9	0	0	0	0	113.7	L687	L687-C690 PolarHBondContact O-N 2.85Å; L687-C690 VanDerWaalsContact O-N 3.14Å
691	F	59.3	Low	60	Low	80 Å²	80	78.8 Å²	78.8	35%	0.351	41%	0.41	S	S	.	.	S	Bend	trans	-137.4	143.2	-176.4	-60.1	-78.9	0	0	0	111.3	L687 V693 L803 D806	L687-F691 HydrophobicContact CD2-CD2 4.5Å; L687-F691 HydrophobicContact CG-CD2 4.2Å; L687-F691 HydrophobicContact CG-CE2 4.47Å; L687-F691 PolarHBondContact O-N 3.12Å; F691-V693 VanDerWaalsContact C-N 3.33Å; F691-V693 PolarHBondContact O-N 2.91Å; F691-L803 HydrophobicContact CE2-CD2 4.3Å; F691-L803 HydrophobicContact CZ-CD2 4.09Å; F691-D806 HydrophobicContact CZ-CB 4.48Å; F691-D806 VanDerWaalsContact CZ-OD2 3.26Å; F691-D806 WeakPolarHBondContact CZ-OD2 3.39Å
692	P	48.7	Very low	59.6	Low	135 Å²	135	80.1 Å²	80.1	88%	0.877	42%	0.416	S	S	*	.			trans	-70.1	89	173.5	29.8	-34.2	0	0	0	110.2	N694	P692-N694 PolarHBondContact O-N 3.11Å
693	V	48.6	Very low	59.9	Low	44 Å²	44	78.4 Å²	78.4	27%	0.267	41%	0.408	S	S	.	.			trans	-66.2	124.8	179	176.1	0	0	0	0	109.8	E688 F691 F702	E688-V693 HydrophobicContact CB-CG2 4.48Å; E688-V693 HydrophobicContact CG-CG2 4.17Å; F691-V693 VanDerWaalsContact C-N 3.33Å; F691-V693 PolarHBondContact O-N 2.91Å; V693-F702 HydrophobicContact CG1-CE2 4.08Å; V693-F702 HydrophobicContact CG1-CZ 4.27Å; V693-F702 HydrophobicContact CG2-CE2 4.02Å; V693-F702 HydrophobicContact CG2-CZ 3.96Å
694	N	48.9	Very low	60.4	Low	93 Å²	93	77.1 Å²	77.1	50%	0.497	40%	0.403	S	S	.	.			trans	-73.7	122.6	173.6	-167.1	56.8	0	0	0	108.7	P692 D696 L697	P692-N694 PolarHBondContact O-N 3.11Å; N694-D696 PolarHBondContact O-N 3.39Å; N694-L697 HydrophobicContact CB-CD1 4.14Å; N694-L697 WeakPolarHBondContact O-CB 3.23Å; N694-L697 PolarHBondContact O-N 2.81Å
695	P	49.5	Very low	61.3	Low	117 Å²	117	77.5 Å²	77.5	76%	0.76	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.2	-166.1	24.2	-34.8	0	0	0	115.4	L697	P695-L697 VanDerWaalsContact C-N 3.29Å
696	D	43.2	Very low	62.5	Low	145 Å²	145	78 Å²	78	78%	0.775	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.5	172	-57.4	-48.3	0	0	0	114	N694	N694-D696 PolarHBondContact O-N 3.39Å
697	L	53.4	Low	63.9	Low	79 Å²	79	73.3 Å²	73.3	41%	0.414	39%	0.389	S	S	.	.	S	Bend	trans	-81.7	125.5	-179.1	-77.9	164.1	0	0	0	111.7	N694 P695	N694-L697 HydrophobicContact CB-CD1 4.14Å; N694-L697 WeakPolarHBondContact O-CB 3.23Å; N694-L697 PolarHBondContact O-N 2.81Å; P695-L697 VanDerWaalsContact C-N 3.29Å
698	H	53.5	Low	65.5	Low	131 Å²	131	74.5 Å²	74.5	61%	0.606	40%	0.395	S	S	*	.			trans	-69.3	130.9	-178.2	-152.8	-45.3	0	0	0	110.8	K700 H701	H698-K700 PolarHBondContact O-N 3.15Å; H698-H701 PolarHBondContact O-N 3.23Å; H698-H701 VanDerWaalsContact O-N 3.11Å
699	P	54.4	Low	67.3	Low	75 Å²	75	70.3 Å²	70.3	49%	0.487	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-53.8	-20.6	-174.7	-33.7	36.3	0	0	0	117.2	H701 F702	P699-H701 PolarHBondContact O-N 3.13Å; P699-F702 PolarHBondContact O-N 3.01Å
700	K	58.8	Low	68.9	Low	158 Å²	158	65 Å²	65	69%	0.687	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-61.7	-21.4	177.3	-68.7	-169.7	173.1	-171.1	0	113.9	H698 F702 K703	H698-K700 PolarHBondContact O-N 3.15Å; K700-F702 PolarHBondContact O-N 3.12Å; K700-K703 PolarHBondContact O-N 3.24Å
701	H	66.9	Low	70.4	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.361	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-62.1	-23.4	178.1	-84.9	-66.3	0	0	0	114	H698 P699 D791	H698-H701 PolarHBondContact O-N 3.23Å; H698-H701 VanDerWaalsContact O-N 3.11Å; P699-H701 PolarHBondContact O-N 3.13Å; H701-D791 WeakPolarHBondContact O-CB 3.45Å; H701-D791 PolarHBondContact O-N 2.65Å
702	F	74.7	Confident	71.5	Confident	28 Å²	28	61.2 Å²	61.2	12%	0.123	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-102.8	12	-177	-51.2	-49.1	0	0	0	113.4	G669 L687 V693 P699 K700 I704	G669-F702 WeakPolarHBondContact CA-O 3.28Å; G669-F702 PolarHBondContact N-O 3.16Å; L687-F702 HydrophobicContact CD2-CB 4.35Å; L687-F702 HydrophobicContact CD2-CD1 3.32Å; L687-F702 HydrophobicContact CD2-CE1 3.69Å; L687-F702 HydrophobicContact CD2-CG 3.9Å; V693-F702 HydrophobicContact CG1-CE2 4.08Å; V693-F702 HydrophobicContact CG1-CZ 4.27Å; V693-F702 HydrophobicContact CG2-CE2 4.02Å; V693-F702 HydrophobicContact CG2-CZ 3.96Å; P699-F702 PolarHBondContact O-N 3.01Å; K700-F702 PolarHBondContact O-N 3.12Å; F702-I704 PolarHBondContact O-N 3.17Å
703	K	86.6	Confident	72.8	Confident	58 Å²	58	57.3 Å²	57.3	25%	0.252	30%	0.297	S	S	.	.			trans	-54.5	128.9	175.5	172.8	-178.7	-176.7	-121.3	0	110.3	N649 L667 K700 N705 H789 E790	N649-K703 VanDerWaalsContact OD1-CE 3.28Å; N649-K703 WeakPolarHBondContact OD1-CE 3.5Å; L667-K703 HydrophobicContact CD2-CD 3.8Å; L667-K703 VanDerWaalsContact CD2-CE 3.49Å; L667-K703 HydrophobicContact CD2-CG 3.97Å; K700-K703 PolarHBondContact O-N 3.24Å; K703-N705 VanDerWaalsContact CD-OD1 3.29Å; K703-N705 WeakPolarHBondContact CD-OD1 3.5Å; K703-N705 VanDerWaalsContact CE-OD1 3.23Å; K703-N705 WeakPolarHBondContact CE-OD1 3.29Å; K703-N705 WeakPolarHBondContact CG-OD1 3.37Å; K703-N705 PolarHBondContact NZ-OD1 2.98Å; K703-H789 WeakPolarHBondContact O-CA 3.37Å; K703-E790 HydrophobicContact CB-CB 3.94Å; K703-E790 PolarHBondContact O-N 2.84Å
704	I	90.8	Very high	73.7	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.3	170.8	-54.5	176.3	0	0	0	107.4	N649 T666 I671 F702 D706 T787	N649-I704 PolarHBondContact ND2-O 3.46Å; T666-I704 PolarHBondContact O-N 3.31Å; T666-I704 VanDerWaalsContact O-N 3.15Å; I671-I704 HydrophobicContact CG1-CD1 3.73Å; F702-I704 PolarHBondContact O-N 3.17Å; I704-D706 WeakPolarHBondContact CG2-O 3.43Å; I704-T787 HydrophobicContact CD1-CG2 4.23Å; I704-T787 HydrophobicContact CG2-CG2 3.91Å
705	N	91.5	Very high	74.6	Confident	20 Å²	20	59.6 Å²	59.6	11%	0.107	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-41.3	-179.7	-74	-24.7	0	0	0	111.1	N649 K703 A788 E790 S817 L818	N649-N705 PolarHBondContact ND2-O 2.97Å; K703-N705 VanDerWaalsContact CD-OD1 3.29Å; K703-N705 WeakPolarHBondContact CD-OD1 3.5Å; K703-N705 VanDerWaalsContact CE-OD1 3.23Å; K703-N705 WeakPolarHBondContact CE-OD1 3.29Å; K703-N705 WeakPolarHBondContact CG-OD1 3.37Å; K703-N705 PolarHBondContact NZ-OD1 2.98Å; N705-A788 PolarHBondContact N-O 2.98Å; N705-E790 PolarHBondContact ND2-OE2 2.93Å; N705-S817 PolarHBondContact ND2-OG 3.35Å; N705-L818 WeakPolarHBondContact CB-O 3.36Å; N705-L818 PolarHBondContact ND2-O 3.27Å
706	D	92.6	Very high	75.5	Confident	24 Å²	24	54.7 Å²	54.7	13%	0.128	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	155.4	177.9	-158.9	8.9	0	0	0	112.2	I704 T787 A788 S820 L821	I704-D706 WeakPolarHBondContact CG2-O 3.43Å; D706-T787 WeakPolarHBondContact O-CA 3.38Å; D706-A788 HydrophobicContact CB-CB 4.22Å; D706-A788 PolarHBondContact O-N 2.78Å; D706-S820 WeakPolarHBondContact OD2-CA 3.13Å; D706-L821 HydrophobicContact CB-CD1 4.47Å; D706-L821 HydrophobicContact CB-CG 4.27Å; D706-L821 PolarHBondContact OD2-N 3.09Å
707	I	94.7	Very high	76.4	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.1	-175.6	-170.8	164.3	0	0	0	110.4	C650 D652 A663 I671 L785 V786 T787	C650-I707 HydrophobicContact CB-CG2 4.1Å; D652-I707 HydrophobicContact CB-CG2 4.14Å; D652-I707 WeakPolarHBondContact CB-O 3.28Å; A663-I707 HydrophobicContact CB-CD1 3.93Å; I671-I707 HydrophobicContact CG2-CD1 4.08Å; I707-L785 HydrophobicContact CD1-CD2 4.28Å; I707-L785 HydrophobicContact CG1-CD2 4.18Å; I707-V786 WeakPolarHBondContact CA-O 3.46Å; I707-T787 HydrophobicContact CB-CG2 4.28Å; I707-T787 HydrophobicContact CD1-CG2 3.93Å; I707-T787 HydrophobicContact CG1-CG2 3.82Å
708	L	93.8	Very high	76.6	Confident	30 Å²	30	53 Å²	53	16%	0.157	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132.7	-175.3	-172.9	65.3	0	0	0	112.6	D652 L710 V786 L821 T823 L830	D652-L708 WeakPolarHBondContact OD2-CA 3.35Å; L708-L710 HydrophobicContact CD2-CD2 4.5Å; L708-V786 PolarHBondContact N-O 3.26Å; L708-V786 PolarHBondContact O-N 3Å; L708-L821 HydrophobicContact CB-CB 4.41Å; L708-L821 HydrophobicContact CB-CD1 4.17Å; L708-L821 HydrophobicContact CD2-CB 4.24Å; L708-T823 HydrophobicContact CD2-CG2 3.88Å; L708-L830 HydrophobicContact CD2-CD1 4.3Å
709	F	92.4	Very high	76.7	Confident	12 Å²	12	53.9 Å²	53.9	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.7	167.7	-76.4	-76.9	0	0	0	111.1	D652 L654 L661 A663 L673 P783 L785 L799	D652-F709 HydrophobicContact CB-CD2 4.22Å; D652-F709 WeakPolarHBondContact OD2-CD2 3.31Å; D652-F709 PolarHBondContact OD2-N 2.95Å; L654-F709 HydrophobicContact CB-CB 4.33Å; L654-F709 HydrophobicContact CB-CD1 4.19Å; L654-F709 HydrophobicContact CB-CD2 3.78Å; L654-F709 HydrophobicContact CB-CE1 4.4Å; L654-F709 HydrophobicContact CB-CE2 4.01Å; L654-F709 HydrophobicContact CB-CG 3.87Å; L654-F709 HydrophobicContact CB-CZ 4.32Å; L654-F709 HydrophobicContact CD2-CD1 4.22Å; L654-F709 HydrophobicContact CD2-CG 4.47Å; L661-F709 HydrophobicContact CB-CE1 4.26Å; L661-F709 HydrophobicContact CB-CE2 4.39Å; L661-F709 HydrophobicContact CB-CZ 3.7Å; L661-F709 HydrophobicContact CD1-CE1 3.85Å; L661-F709 HydrophobicContact CD1-CZ 4.16Å; A663-F709 HydrophobicContact CB-CE1 4.44Å; A663-F709 HydrophobicContact CB-CE2 3.71Å; A663-F709 HydrophobicContact CB-CZ 3.6Å; L673-F709 HydrophobicContact CD1-CE1 4.24Å; L673-F709 HydrophobicContact CD1-CZ 3.88Å; F709-P783 HydrophobicContact CD1-CB 4.32Å; F709-L785 HydrophobicContact CD1-CD2 3.52Å; F709-L785 HydrophobicContact CD1-CG 4.06Å; F709-L785 HydrophobicContact CD2-CD2 4.26Å; F709-L785 HydrophobicContact CE1-CD1 4.42Å; F709-L785 HydrophobicContact CE1-CD2 3.57Å; F709-L785 HydrophobicContact CE1-CG 4Å; F709-L785 HydrophobicContact CE2-CD2 4.3Å; F709-L785 HydrophobicContact CG-CD2 3.89Å; F709-L785 HydrophobicContact CZ-CD2 3.98Å; F709-L799 HydrophobicContact CE1-CD2 4.13Å
710	L	90	Very high	76.5	Confident	3 Å²	3	52 Å²	52	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.3	163.3	-63.5	-179.7	0	0	0	109.5	L708 P783 I784 V786 L796 T823 T827 I844 L848	L708-L710 HydrophobicContact CD2-CD2 4.5Å; L710-P783 WeakPolarHBondContact O-CA 3.16Å; L710-I784 HydrophobicContact CB-CB 4.48Å; L710-I784 PolarHBondContact N-O 2.83Å; L710-I784 PolarHBondContact O-N 3Å; L710-V786 HydrophobicContact CD1-CG2 3.31Å; L710-V786 HydrophobicContact CD2-CG2 4.42Å; L710-V786 HydrophobicContact CG-CG2 3.57Å; L710-L796 HydrophobicContact CD1-CD2 4.31Å; L710-T823 HydrophobicContact CD2-CG2 3.98Å; L710-T827 HydrophobicContact CB-CG2 4.42Å; L710-T827 HydrophobicContact CD2-CG2 3.79Å; L710-I844 HydrophobicContact CD1-CD1 3.65Å; L710-I844 HydrophobicContact CD2-CD1 3.73Å; L710-I844 HydrophobicContact CG-CD1 4.33Å; L710-L848 HydrophobicContact CB-CD2 4.18Å; L710-L848 HydrophobicContact CD1-CD2 4.12Å
711	F	86.9	Confident	75.8	Confident	27 Å²	27	47.4 Å²	47.4	12%	0.118	24%	0.236	C	C	.	.			trans	-125.7	148.4	170.6	-174.5	-110.3	0	0	0	109.5	L654 V656 Y659 T713 A780 Q781 P783 T827	L654-F711 HydrophobicContact CD1-CB 4Å; L654-F711 HydrophobicContact CD1-CG 4.36Å; L654-F711 HydrophobicContact CD2-CB 4.31Å; L654-F711 HydrophobicContact CD2-CG 4.43Å; V656-F711 HydrophobicContact CG1-CE1 3.95Å; V656-F711 HydrophobicContact CG2-CD1 4.41Å; V656-F711 HydrophobicContact CG2-CE1 4.44Å; Y659-F711 HydrophobicContact CD2-CE2 4.11Å; Y659-F711 HydrophobicContact CD2-CZ 4.33Å; Y659-F711 AromaticContact CE2-CE2 3.78Å; Y659-F711 HydrophobicContact CE2-CE2 3.78Å; Y659-F711 HydrophobicContact CE2-CZ 4.23Å; F711-T713 HydrophobicContact CE1-CG2 4.49Å; F711-A780 HydrophobicContact CE2-CB 4.42Å; F711-A780 HydrophobicContact CZ-CB 4.18Å; F711-Q781 WeakPolarHBondContact CE2-O 3.34Å; F711-P783 HydrophobicContact CB-CB 4.22Å; F711-P783 HydrophobicContact CD2-CB 3.99Å; F711-T827 WeakPolarHBondContact O-CG2 3.45Å; F711-T827 PolarHBondContact O-OG1 3.47Å
712	R	81.6	Confident	74.5	Confident	26 Å²	26	50.2 Å²	50.2	10%	0.098	25%	0.249	C	C	.	.			trans	-124.4	119.1	176.9	-176.3	177.7	-68	159.7	0.9	109.4	C716 A717 C826 T827 S845 D849	R712-C716 HydrophobicContact CG-CB 3.86Å; R712-A717 HydrophobicContact CG-CB 4.4Å; R712-C826 PolarHBondContact NE-O 2.9Å; R712-T827 PolarHBondContact NH2-O 3.46Å; R712-S845 PolarHBondContact NH1-O 3.28Å; R712-S845 PolarHBondContact NH2-O 2.72Å; R712-D849 IonicContact CZ-OD2 2.75Å; R712-D849 VanDerWaalsContact NH1-CG 3.28Å; R712-D849 IonicContact NH1-OD1 3.67Å; R712-D849 PolarHBondContact NH1-OD1 3.36Å; R712-D849 IonicContact NH1-OD2 3.94Å; R712-D849 PolarHBondContact NH1-OD2 3.32Å
713	T	75.7	Confident	72.8	Confident	53 Å²	53	53.5 Å²	53.5	33%	0.325	27%	0.268	S	S	.	.			trans	-66.8	151.8	178.2	65.9	0	0	0	0	111.3	F711 E715 C716 A717	F711-T713 HydrophobicContact CE1-CG2 4.49Å; T713-E715 PolarHBondContact O-N 2.81Å; T713-C716 PolarHBondContact O-N 3.4Å; T713-C716 PolarHBondContact OG1-N 3.46Å; T713-A717 PolarHBondContact O-N 3.46Å; T713-A717 VanDerWaalsContact O-N 3.08Å
714	P	68.2	Low	70.3	Confident	57 Å²	57	54.5 Å²	54.5	37%	0.37	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-8	174.1	-25.4	35.6	0	0	0	114.9	R718	P714-R718 WeakPolarHBondContact O-CG 3.32Å; P714-R718 PolarHBondContact O-NE 2.83Å
715	E	67.1	Low	67.2	Low	128 Å²	128	60.9 Å²	60.9	60%	0.598	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-48.9	174.4	-59.1	-171.9	157.1	0	0	111.2	T713 A717 R718 R719	T713-E715 PolarHBondContact O-N 2.81Å; E715-A717 VanDerWaalsContact C-N 3.26Å; E715-A717 PolarHBondContact O-N 2.82Å; E715-R718 PolarHBondContact O-N 3.42Å; E715-R719 PolarHBondContact O-N 2.93Å; E715-R719 VanDerWaalsContact O-N 3.17Å
716	C	67.9	Low	64.2	Low	14 Å²	14	65.1 Å²	65.1	10%	0.095	35%	0.345	C	S	.	.	H	α-helix	trans	-57.1	-40.6	171.6	-76.2	0	0	0	0	111.9	R712 T713 R718 R719 S720 C826	R712-C716 HydrophobicContact CG-CB 3.86Å; T713-C716 PolarHBondContact O-N 3.4Å; T713-C716 PolarHBondContact OG1-N 3.46Å; C716-R718 PolarHBondContact O-N 3.06Å; C716-R719 PolarHBondContact O-N 2.59Å; C716-R719 VanDerWaalsContact O-N 3.15Å; C716-S720 PolarHBondContact O-N 2.67Å; C716-S720 VanDerWaalsContact O-N 3.11Å; C716-S720 PolarHBondContact O-OG 2.93Å; C716-C826 HydrophobicContact CB-CB 3.56Å; C716-C826 WeakPolarHBondContact CB-SG 3.17Å; C716-C826 WeakPolarHBondContact SG-CA 3.42Å; C716-C826 WeakPolarHBondContact SG-CB 3.39Å; C716-C826 CovalentContact SG-SG 2.04Å; C716-C826 PolarHBondContact SG-SG 3.43Å
717	A	62.7	Low	61	Low	41 Å²	41	68.8 Å²	68.8	34%	0.339	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-24.5	175.5	0	0	0	0	0	114	R712 T713 E715 S720	R712-A717 HydrophobicContact CG-CB 4.4Å; T713-A717 PolarHBondContact O-N 3.46Å; T713-A717 VanDerWaalsContact O-N 3.08Å; E715-A717 VanDerWaalsContact C-N 3.26Å; E715-A717 PolarHBondContact O-N 2.82Å; A717-S720 PolarHBondContact O-OG 2.84Å
718	R	58.2	Low	57.9	Low	148 Å²	148	73.9 Å²	73.9	56%	0.558	41%	0.408	S	S	*	.	H	α-helix	trans	-83.3	-25.9	173.7	-80.9	-180	-79.1	165.5	-2.4	113.1	P714 E715 C716 S721	P714-R718 WeakPolarHBondContact O-CG 3.32Å; P714-R718 PolarHBondContact O-NE 2.83Å; E715-R718 PolarHBondContact O-N 3.42Å; C716-R718 PolarHBondContact O-N 3.06Å; R718-S721 PolarHBondContact O-OG 2.97Å; R718-S721 VanDerWaalsContact O-OG 3.08Å
719	R	55.7	Low	54.8	Low	148 Å²	148	78 Å²	78	56%	0.558	44%	0.44	S	S	*	.	H	α-helix	trans	-76	-44.3	174.7	-69.2	-179.7	175	169.9	-1.2	111.6	E715 C716 S721 Q722 D723	E715-R719 PolarHBondContact O-N 2.93Å; E715-R719 VanDerWaalsContact O-N 3.17Å; C716-R719 PolarHBondContact O-N 2.59Å; C716-R719 VanDerWaalsContact O-N 3.15Å; R719-S721 VanDerWaalsContact C-N 3.27Å; R719-S721 PolarHBondContact O-N 2.83Å; R719-Q722 PolarHBondContact O-N 3.42Å; R719-D723 PolarHBondContact O-N 3.2Å
720	S	49	Very low	51.8	Low	36 Å²	36	85.9 Å²	85.9	25%	0.252	48%	0.477	S	S	.	.	H	α-helix	trans	-63.4	-28	180	56.9	0	0	0	0	114.4	C716 A717 Q722 S724	C716-S720 PolarHBondContact O-N 2.67Å; C716-S720 VanDerWaalsContact O-N 3.11Å; C716-S720 PolarHBondContact O-OG 2.93Å; A717-S720 PolarHBondContact O-OG 2.84Å; S720-Q722 VanDerWaalsContact C-N 3.28Å; S720-Q722 PolarHBondContact O-N 3.48Å; S720-S724 WeakPolarHBondContact O-CB 3.39Å; S720-S724 PolarHBondContact O-N 3.18Å; S720-S724 PolarHBondContact O-OG 2.77Å
721	S	45.7	Very low	48.7	Very low	61 Å²	61	92 Å²	92	43%	0.427	52%	0.519	S	S	.	.	H	α-helix	trans	-74	-14.3	174.3	63.3	0	0	0	0	114.3	R718 R719 S724 I725	R718-S721 PolarHBondContact O-OG 2.97Å; R718-S721 VanDerWaalsContact O-OG 3.08Å; R719-S721 VanDerWaalsContact C-N 3.27Å; R719-S721 PolarHBondContact O-N 2.83Å; S721-S724 WeakPolarHBondContact CA-OG 3.33Å; S721-S724 PolarHBondContact O-OG 2.7Å; S721-I725 WeakPolarHBondContact O-CD1 3.47Å
722	Q	38.7	Very low	45.7	Very low	138 Å²	138	100.3 Å²	100.3	65%	0.645	56%	0.558	S	S	*	*	H	α-helix	trans	-89.3	-45.9	171.6	-64.9	-177.4	-21	0	0	111.3	R719 S720 S724 I725	R719-Q722 PolarHBondContact O-N 3.42Å; S720-Q722 VanDerWaalsContact C-N 3.28Å; S720-Q722 PolarHBondContact O-N 3.48Å; Q722-S724 PolarHBondContact O-N 2.86Å; Q722-I725 PolarHBondContact O-N 2.95Å
723	D	38.1	Very low	43.1	Very low	97 Å²	97	104 Å²	104	52%	0.519	59%	0.587	S	S	.	*	H	α-helix	trans	-56.9	-36	177.8	-68.4	-28.4	0	0	0	112.4	R719 I725 C726 R828	R719-D723 PolarHBondContact O-N 3.2Å; D723-I725 PolarHBondContact O-N 3.01Å; D723-C726 PolarHBondContact O-N 3.18Å; D723-R828 IonicContact OD2-NH1 2.82Å
724	S	34.3	Very low	41	Very low	79 Å²	79	106.5 Å²	106.5	55%	0.552	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-10.9	179.6	44.5	0	0	0	0	115	S720 S721 Q722	S720-S724 WeakPolarHBondContact O-CB 3.39Å; S720-S724 PolarHBondContact O-N 3.18Å; S720-S724 PolarHBondContact O-OG 2.77Å; S721-S724 WeakPolarHBondContact CA-OG 3.33Å; S721-S724 PolarHBondContact O-OG 2.7Å; Q722-S724 PolarHBondContact O-N 2.86Å
725	I	27.3	Very low	39	Very low	134 Å²	134	114 Å²	114	69%	0.687	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-20.9	175.6	-64.2	174.5	0	0	0	111.4	S721 Q722 D723	S721-I725 WeakPolarHBondContact O-CD1 3.47Å; Q722-I725 PolarHBondContact O-N 2.95Å; D723-I725 PolarHBondContact O-N 3.01Å
726	C	26.9	Very low	37	Very low	109 Å²	109	111.1 Å²	111.1	74%	0.736	64%	0.638	S	S	*	*	S	Bend	trans	-113.2	16.8	-172.3	-74.7	0	0	0	0	115.2	D723 S728	D723-C726 PolarHBondContact O-N 3.18Å; C726-S728 PolarHBondContact O-N 2.99Å
727	S	26	Very low	35.6	Very low	100 Å²	100	116.7 Å²	116.7	70%	0.699	67%	0.674	S	S	*	*			trans	-94.1	42.3	-178.3	55.9	0	0	0	0	114.7
728	S	29.5	Very low	34	Very low	110 Å²	110	123.6 Å²	123.6	77%	0.769	70%	0.699	S	S	*	*			trans	-144	70.2	177.3	57.7	0	0	0	0	115.8	C726	C726-S728 PolarHBondContact O-N 2.99Å
729	S	28	Very low	32.4	Very low	117 Å²	117	121.1 Å²	121.1	82%	0.818	71%	0.705	S	S	*	*			trans	-147.4	132.6	157.7	57.6	0	0	0	0	111.5
730	Q	29.6	Very low	31	Very low	178 Å²	178	118.8 Å²	118.8	83%	0.832	71%	0.712	S	S	*	*			trans	-80.1	160.9	178.6	-66.7	167.4	-52.7	0	0	111.8
731	C	26	Very low	30	Very low	132 Å²	132	127 Å²	127	89%	0.892	74%	0.743	S	S	*	*			trans	-66.3	132.6	167.2	-54.2	0	0	0	0	111
732	E	23.6	Very low	29	Very low	201 Å²	201	127.3 Å²	127.3	94%	0.939	76%	0.755	S	S	*	*			trans	-144.5	156.9	154.2	-141.9	-176.9	-139.9	0	0	111.2
733	S	27.8	Very low	28.4	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	76%	0.764	S	S	*	*			trans	-125.6	129.2	-161.5	57.1	0	0	0	0	114.9
734	S	30.7	Very low	27.9	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	78%	0.777	S	S	*	*			trans	64.2	120.7	156.5	72.5	0	0	0	0	119.8
735	K	27.1	Very low	27.5	Very low	214 Å²	214	134 Å²	134	93%	0.93	79%	0.785	S	S	*	*				-166.7	164.4	127.1	-105.6	151.8	-168.9	165.7	0	112.6
736	G	25.2	Very low	27.5	Very low	67 Å²	67	132.7 Å²	132.7	69%	0.691	79%	0.787	S	S	*	*			trans	-80.6	178.8	-172.4	0	0	0	0	0	115.7
737	P	38.3	Very low	27.4	Very low	132 Å²	132	133.3 Å²	133.3	86%	0.857	78%	0.782	S	S	*	*			trans	-88.9	138.5	-160.8	33.3	-35.8	0	0	0	114.9
738	Q	27.6	Very low	27.4	Very low	185 Å²	185	136.4 Å²	136.4	86%	0.864	79%	0.785	S	S	*	*			trans	-143.1	113.7	161.2	-75.1	-159.1	-19.4	0	0	114.6
739	S	25.4	Very low	27.1	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	78%	0.783	S	S	*	*			trans	18.9	115.4	144	60.4	0	0	0	0	123
740	S	26.7	Very low	26.9	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	78%	0.779	S	S	*	*				83.8	149.7	117.6	80	0	0	0	0	122.4
741	K	27.1	Very low	26.7	Very low	209 Å²	209	137 Å²	137	91%	0.909	78%	0.779	S	S	*	*			trans	74	128.2	173.1	-52.5	175.3	-174.5	176.1	0	115.3
742	G	24.6	Very low	26.7	Very low	66 Å²	66	136.7 Å²	136.7	68%	0.68	77%	0.772	S	S	*	*			cis	159.3	157.5	-10.9	0	0	0	0	0	114.1
743	S	26.3	Very low	26.8	Very low	118 Å²	118	136.8 Å²	136.8	83%	0.825	77%	0.77	S	S	*	*			trans	71.7	144.5	177.7	80.2	0	0	0	0	116
744	K	27.9	Very low	26.6	Very low	184 Å²	184	134.9 Å²	134.9	80%	0.8	77%	0.766	S	S	*	*			cis	-155.1	168.9	0	-130.8	169.7	-175.9	-176.4	0	113.2
745	Q	27	Very low	26.4	Very low	154 Å²	154	138.2 Å²	138.2	72%	0.72	77%	0.77	S	S	*	*			trans	-45.9	165.2	178.7	-62.9	141.4	-61.1	0	0	115.7
746	S	25.4	Very low	26.3	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	76%	0.761	S	S	*	*			cis	-150.1	154	33.7	51.4	0	0	0	0	112.1
747	I	26.4	Very low	26.3	Very low	122 Å²	122	137.6 Å²	137.6	63%	0.626	76%	0.76	S	S	*	*				59.9	128.6	61	-52.1	165.5	0	0	0	111.6
748	H	25	Very low	25.6	Very low	165 Å²	165	138.2 Å²	138.2	76%	0.764	76%	0.756	S	S	*	*			cis	-119.8	170.4	-1.6	-88.3	-71.6	0	0	0	110
749	D	23.9	Very low	25.7	Very low	138 Å²	138	134.7 Å²	134.7	74%	0.738	75%	0.747	S	S	*	*			cis	94.5	137.5	15.6	-141.5	6.3	0	0	0	116.8
750	S	24.2	Very low	25.7	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	76%	0.758	S	S	*	*			trans	63.4	158.1	174.9	74.9	0	0	0	0	119.9
751	E	24.1	Very low	25.7	Very low	177 Å²	177	138.8 Å²	138.8	83%	0.827	76%	0.764	S	S	*	*			cis	-158.5	150.7	-26.4	-110.4	-170.9	168	0	0	112.8
752	V	27.1	Very low	25.7	Very low	124 Å²	124	132.3 Å²	132.3	75%	0.752	76%	0.756	S	S	*	*			trans	0	154.5	149.2	-166.2	0	0	0	0	122.1
753	K	25.4	Very low	25.7	Very low	204 Å²	204	137.6 Å²	137.6	89%	0.887	76%	0.763	S	S	*	*			trans	99.7	144.3	166.6	-56.6	178.7	-173	177	0	115.2
754	G	22.9	Very low	25.7	Very low	62 Å²	62	141.1 Å²	141.1	64%	0.639	77%	0.766	S	S	*	*			cis	152.7	148.3	-8	0	0	0	0	0	112.7
755	E	26.7	Very low	25.4	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.822	77%	0.769	S	S	*	*			trans	65.9	156.2	169.6	-58.8	179.1	146.4	0	0	116
756	Q	25.5	Very low	25.7	Very low	160 Å²	160	139 Å²	139	75%	0.748	77%	0.769	S	S	*	*			cis	-152.9	-178	-21.3	-118.3	172.9	23.9	0	0	110.4
757	T	24.6	Very low	25.6	Very low	109 Å²	109	140.5 Å²	140.5	67%	0.669	77%	0.773	S	S	*	*			trans	-43.4	161.6	169.8	47.7	0	0	0	0	115.2
758	D	24.6	Very low	25.8	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	79%	0.785	S	S	*	*			cis	-164.7	-178.9	41.3	-135.3	-33.9	0	0	0	116.7
759	V	28.3	Very low	25.9	Very low	112 Å²	112	143.7 Å²	143.7	68%	0.679	79%	0.788	S	S	*	*			trans	-69.5	150.5	-170.9	173	0	0	0	0	116.9
760	T	25.3	Very low	26	Very low	148 Å²	148	147 Å²	147	91%	0.908	80%	0.796	S	S	*	*			trans	-154.9	162	142	-0.4	0	0	0	0	112.5
761	V	28	Very low	26.2	Very low	134 Å²	134	150.8 Å²	150.8	81%	0.812	80%	0.802	S	S	*	*			trans	-108.6	145.9	-164.5	175.8	0	0	0	0	112.7
762	G	25.9	Very low	26.4	Very low	73 Å²	73	148 Å²	148	75%	0.753	80%	0.799	S	S	*	*			trans	-159.4	130.9	165.2	0	0	0	0	0	111.8
763	E	25.8	Very low	26.4	Very low	177 Å²	177	145.6 Å²	145.6	83%	0.827	80%	0.8	S	S	*	*			trans	-92	151.6	-179.2	-62.5	-176.1	127.1	0	0	112.9
764	Q	25.7	Very low	26.4	Very low	191 Å²	191	140.6 Å²	140.6	89%	0.893	79%	0.79	S	S	*	*			trans	138.2	131	141.8	-73.1	178	12.8	0	0	114.3
765	Q	22.7	Very low	26.7	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	80%	0.8	S	S	*	*			trans	-93.4	175.8	173.5	-81	-175	-5.2	0	0	111
766	P	31.8	Very low	26.8	Very low	109 Å²	109	140.7 Å²	140.7	71%	0.708	80%	0.796	S	S	*	*			cis	-130.4	155.6	-25.8	30.2	-13.2	0	0	0	113.4
767	V	24.7	Very low	27.1	Very low	137 Å²	137	140.6 Å²	140.6	83%	0.83	80%	0.8	S	S	*	*			trans	-144.5	122.1	159.5	-176.9	0	0	0	0	111	K769	V767-K769 PolarHBondContact O-N 3.09Å
768	D	29.7	Very low	27.9	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	80%	0.797	S	S	*	*			trans	-67.3	113.4	-179.8	-70	-72	0	0	0	114.3
769	K	27.9	Very low	29	Very low	193 Å²	193	141.9 Å²	141.9	84%	0.839	80%	0.802	S	S	*	*			trans	-142.3	91.4	159.5	-71.6	-167.5	180	172.6	0	113.2	V767	V767-K769 PolarHBondContact O-N 3.09Å
770	K	26.4	Very low	30.5	Very low	206 Å²	206	138.8 Å²	138.8	90%	0.896	79%	0.788	S	S	*	*			trans	28.6	105	151.4	-64.2	-176.9	176.1	-176.3	0	117
771	H	26.4	Very low	32.7	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.856	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-59.2	140.3	159	-70.7	-79.3	0	0	0	111.2
772	P	29.6	Very low	35.2	Very low	117 Å²	117	133 Å²	133	76%	0.76	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-64.6	149.6	154.4	31.1	-32.9	0	0	0	109.1
773	G	26.3	Very low	38.2	Very low	75 Å²	75	129.6 Å²	129.6	77%	0.773	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-60.5	147.3	-166.6	0	0	0	0	0	114.7	A775	G773-A775 PolarHBondContact O-N 2.92Å
774	S	26	Very low	41.2	Very low	99 Å²	99	121.6 Å²	121.6	69%	0.692	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-52.2	134.9	163.7	46.9	0	0	0	0	110.4	N776	S774-N776 PolarHBondContact O-N 3.48Å; S774-N776 PolarHBondContact O-OD1 2.79Å; S774-N776 PolarHBondContact OG-OD1 2.86Å
775	A	28.3	Very low	44.4	Very low	102 Å²	102	112.5 Å²	112.5	84%	0.843	63%	0.634	S	S	*	*			trans	-66.6	105.5	161.9	0	0	0	0	0	107.3	G773 L777	G773-A775 PolarHBondContact O-N 2.92Å; A775-L777 PolarHBondContact O-N 3.14Å
776	N	29.5	Very low	47.8	Very low	137 Å²	137	103.7 Å²	103.7	73%	0.733	59%	0.593	S	S	*	*			trans	-62.7	110.6	-179.1	-69.8	-1.2	0	0	0	109.3	S774	S774-N776 PolarHBondContact O-N 3.48Å; S774-N776 PolarHBondContact O-OD1 2.79Å; S774-N776 PolarHBondContact OG-OD1 2.86Å
777	L	31.3	Very low	50.7	Low	158 Å²	158	98.5 Å²	98.5	83%	0.827	56%	0.559	S	S	*	*			trans	-53.5	130.1	154.3	-78.6	157.6	0	0	0	107	A775 E779	A775-L777 PolarHBondContact O-N 3.14Å; L777-E779 PolarHBondContact O-N 3.21Å; L777-E779 VanDerWaalsContact O-N 3.11Å
778	P	41.5	Very low	54	Low	94 Å²	94	92 Å²	92	61%	0.61	52%	0.52	S	S	*	.			trans	-65.4	115.9	177	26.4	-32.4	0	0	0	108.6	A780	P778-A780 PolarHBondContact O-N 3.21Å
779	E	48.8	Very low	57	Low	186 Å²	186	84.4 Å²	84.4	87%	0.869	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-54.7	133.1	171	-72.4	179.6	115.9	0	0	109.3	L777 Q781	L777-E779 PolarHBondContact O-N 3.21Å; L777-E779 VanDerWaalsContact O-N 3.11Å; E779-Q781 PolarHBondContact O-N 3.34Å
780	A	58.4	Low	59.9	Low	47 Å²	47	78.9 Å²	78.9	39%	0.388	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-62.8	126.5	177.3	0	0	0	0	0	109.2	F711 P778	F711-A780 HydrophobicContact CE2-CB 4.42Å; F711-A780 HydrophobicContact CZ-CB 4.18Å; P778-A780 PolarHBondContact O-N 3.21Å
781	Q	71.7	Confident	62.7	Low	78 Å²	78	70.2 Å²	70.2	36%	0.364	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-65.6	142.6	178.8	-65.6	171.9	16.7	0	0	109.7	F711 E779 L848	F711-Q781 WeakPolarHBondContact CE2-O 3.34Å; E779-Q781 PolarHBondContact O-N 3.34Å; Q781-L848 PolarHBondContact OE1-O 3.1Å
782	P	81.7	Confident	65.6	Low	82 Å²	82	61.5 Å²	61.5	53%	0.532	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-62.8	142.7	179.3	26.8	-34.7	0	0	0	110.9
783	P	87.4	Confident	68.4	Low	3 Å²	3	58 Å²	58	2%	0.019	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-66.7	149.4	-179.7	28.8	-36	0	0	0	111.8	L654 Y659 L661 F709 L710 F711 L799	L654-P783 HydrophobicContact CD2-CB 3.66Å; L654-P783 HydrophobicContact CD2-CG 3.64Å; Y659-P783 HydrophobicContact CD1-CG 4.34Å; Y659-P783 HydrophobicContact CE1-CG 4.22Å; L661-P783 HydrophobicContact CD1-CG 4.3Å; F709-P783 HydrophobicContact CD1-CB 4.32Å; L710-P783 WeakPolarHBondContact O-CA 3.16Å; F711-P783 HydrophobicContact CB-CB 4.22Å; F711-P783 HydrophobicContact CD2-CB 3.99Å; P783-L799 HydrophobicContact CG-CD1 3.91Å; P783-L799 HydrophobicContact CG-CD2 4.25Å; P783-L799 HydrophobicContact CG-CG 4.27Å
784	I	90.7	Very high	71.5	Confident	9 Å²	9	54.4 Å²	54.4	5%	0.046	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.1	178.5	-71.4	170.8	0	0	0	108.5	L710 L796 W797 L804 L848	L710-I784 HydrophobicContact CB-CB 4.48Å; L710-I784 PolarHBondContact N-O 2.83Å; L710-I784 PolarHBondContact O-N 3Å; I784-L796 HydrophobicContact CG2-CB 4.29Å; I784-L796 HydrophobicContact CG2-CD2 4.38Å; I784-W797 WeakPolarHBondContact CG2-O 3.47Å; I784-L804 HydrophobicContact CD1-CD1 3.57Å; I784-L804 HydrophobicContact CG1-CD1 3.9Å; I784-L804 HydrophobicContact CG2-CD1 4.16Å; I784-L848 HydrophobicContact CD1-CD2 3.88Å
785	L	92.2	Very high	74.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	175.3	-79.2	167	0	0	0	110.7	A663 I671 I707 F709 L796 W797 L799	A663-L785 HydrophobicContact CB-CD1 4.26Å; A663-L785 HydrophobicContact CB-CD2 3.75Å; I671-L785 HydrophobicContact CG2-CD1 4.14Å; I707-L785 HydrophobicContact CD1-CD2 4.28Å; I707-L785 HydrophobicContact CG1-CD2 4.18Å; F709-L785 HydrophobicContact CD1-CD2 3.52Å; F709-L785 HydrophobicContact CD1-CG 4.06Å; F709-L785 HydrophobicContact CD2-CD2 4.26Å; F709-L785 HydrophobicContact CE1-CD1 4.42Å; F709-L785 HydrophobicContact CE1-CD2 3.57Å; F709-L785 HydrophobicContact CE1-CG 4Å; F709-L785 HydrophobicContact CE2-CD2 4.3Å; F709-L785 HydrophobicContact CG-CD2 3.89Å; F709-L785 HydrophobicContact CZ-CD2 3.98Å; L785-L796 CarbonylContact O-C 3.44Å; L785-L796 WeakPolarHBondContact O-CA 3.2Å; L785-W797 HydrophobicContact CB-CB 4.35Å; L785-W797 PolarHBondContact N-O 2.8Å; L785-W797 PolarHBondContact O-N 2.85Å; L785-L799 HydrophobicContact CD1-CD2 4.34Å
786	V	93.4	Very high	77.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143.2	169.6	-173.5	0	0	0	0	108.8	I707 L708 L710 R795 L796 L821 L830	I707-V786 WeakPolarHBondContact CA-O 3.46Å; L708-V786 PolarHBondContact N-O 3.26Å; L708-V786 PolarHBondContact O-N 3Å; L710-V786 HydrophobicContact CD1-CG2 3.31Å; L710-V786 HydrophobicContact CD2-CG2 4.42Å; L710-V786 HydrophobicContact CG-CG2 3.57Å; V786-R795 CarbonylContact C-O 3.58Å; V786-R795 WeakPolarHBondContact CA-O 3.38Å; V786-L796 HydrophobicContact CG2-CD2 3.96Å; V786-L796 HydrophobicContact CG2-CG 4.06Å; V786-L821 HydrophobicContact CB-CD1 4.28Å; V786-L821 HydrophobicContact CG1-CD1 3.86Å; V786-L821 HydrophobicContact CG1-CD2 4.49Å; V786-L830 HydrophobicContact CG1-CD1 4.4Å; V786-L830 HydrophobicContact CG1-CD2 3.97Å
787	T	93.4	Very high	80.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.6	176.8	44.9	0	0	0	0	111.1	I671 I704 D706 I707 H789 R795 W797	I671-T787 HydrophobicContact CD1-CG2 3.79Å; I671-T787 HydrophobicContact CG1-CG2 4.24Å; I704-T787 HydrophobicContact CD1-CG2 4.23Å; I704-T787 HydrophobicContact CG2-CG2 3.91Å; D706-T787 WeakPolarHBondContact O-CA 3.38Å; I707-T787 HydrophobicContact CB-CG2 4.28Å; I707-T787 HydrophobicContact CD1-CG2 3.93Å; I707-T787 HydrophobicContact CG1-CG2 3.82Å; T787-H789 VanDerWaalsContact CB-NE2 3.33Å; T787-H789 WeakPolarHBondContact CB-NE2 3.43Å; T787-H789 PolarHBondContact O-CD2 3.3Å; T787-H789 PolarHBondContact OG1-NE2 3.31Å; T787-R795 PolarHBondContact N-O 3.11Å; T787-R795 PolarHBondContact O-N 2.9Å; T787-R795 VanDerWaalsContact O-N 3.09Å; T787-R795 PolarHBondContact OG1-O 3.46Å; T787-W797 PolarHBondContact OG1-NE1 3.38Å
788	A	93.8	Very high	83	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.3	172.4	0	0	0	0	0	109.7	N705 D706 L818 L821	N705-A788 PolarHBondContact N-O 2.98Å; D706-A788 HydrophobicContact CB-CB 4.22Å; D706-A788 PolarHBondContact O-N 2.78Å; A788-L818 HydrophobicContact CB-CB 3.83Å; A788-L821 HydrophobicContact CB-CD1 4.07Å; A788-L821 HydrophobicContact CB-CD2 4.04Å; A788-L821 HydrophobicContact CB-CG 3.91Å
789	H	91.6	Very high	85.1	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.9	-172.4	-67.9	-107.3	0	0	0	112.8	K703 T787 D791 G792 H793 R795 L818	K703-H789 WeakPolarHBondContact O-CA 3.37Å; T787-H789 VanDerWaalsContact CB-NE2 3.33Å; T787-H789 WeakPolarHBondContact CB-NE2 3.43Å; T787-H789 PolarHBondContact O-CD2 3.3Å; T787-H789 PolarHBondContact OG1-NE2 3.31Å; H789-D791 WeakPolarHBondContact CB-OD1 3.48Å; H789-D791 PolarHBondContact O-N 3.21Å; H789-G792 WeakPolarHBondContact O-CA 3.42Å; H789-G792 PolarHBondContact O-N 2.76Å; H789-H793 PolarHBondContact CD2-O 3.15Å; H789-H793 PolarHBondContact N-O 3.41Å; H789-R795 PolarHBondContact ND1-NH1 2.67Å; H789-R795 VanDerWaalsContact ND1-NH1 3.12Å; H789-L818 PolarHBondContact O-N 2.95Å
790	E	89.5	Confident	86.7	Confident	78 Å²	78	27.2 Å²	27.2	36%	0.364	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	174.7	-177	63.9	-166.5	0	0	113.2	K703 N705 G792 S817	K703-E790 HydrophobicContact CB-CB 3.94Å; K703-E790 PolarHBondContact O-N 2.84Å; N705-E790 PolarHBondContact ND2-OE2 2.93Å; E790-G792 PolarHBondContact O-N 2.86Å; E790-S817 WeakPolarHBondContact O-CB 3.43Å; E790-S817 WeakPolarHBondContact OE2-CB 3.43Å; E790-S817 PolarHBondContact OE2-OG 2.94Å
791	D	86.1	Confident	87.6	Confident	24 Å²	24	25.6 Å²	25.6	13%	0.128	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-0.3	169.4	68.8	17.4	0	0	0	114.2	H701 H789 H793 R795	H701-D791 WeakPolarHBondContact O-CB 3.45Å; H701-D791 PolarHBondContact O-N 2.65Å; H789-D791 WeakPolarHBondContact CB-OD1 3.48Å; H789-D791 PolarHBondContact O-N 3.21Å; D791-H793 PolarHBondContact O-ND1 2.98Å; D791-H793 WeakPolarHBondContact OD1-CB 3.25Å; D791-H793 IonicContact OD1-CE1 3.67Å; D791-H793 IonicContact OD1-CG 3.3Å; D791-H793 PolarHBondContact OD1-N 3.35Å; D791-H793 IonicContact OD1-ND1 3.76Å; D791-H793 PolarHBondContact OD1-ND1 3.28Å; D791-H793 IonicContact OD2-ND1 3.83Å; D791-R795 IonicContact OD1-CZ 3.52Å; D791-R795 IonicContact OD1-NH1 2.76Å; D791-R795 PolarHBondContact OD1-NH1 3.37Å; D791-R795 IonicContact OD1-NH2 3.15Å; D791-R795 IonicContact OD2-CZ 3.18Å; D791-R795 VanDerWaalsContact OD2-CZ 3.28Å; D791-R795 IonicContact OD2-NH1 3.94Å; D791-R795 PolarHBondContact OD2-NH1 3.02Å; D791-R795 IonicContact OD2-NH2 2.68Å; D791-R795 PolarHBondContact OD2-NH2 3.47Å
792	G	86.7	Confident	88.2	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.01	15%	0.149	C	C	.	.	S	Bend	trans	86.3	6.3	177	0	0	0	0	0	116.2	H789 E790 P809 I816 L818	H789-G792 WeakPolarHBondContact O-CA 3.42Å; H789-G792 PolarHBondContact O-N 2.76Å; E790-G792 PolarHBondContact O-N 2.86Å; G792-P809 WeakPolarHBondContact O-CD 3.5Å; G792-I816 WeakPolarHBondContact CA-O 3.37Å; G792-L818 WeakPolarHBondContact O-CD1 3.42Å
793	H	89.1	Confident	88.4	Confident	43 Å²	43	29 Å²	29	20%	0.199	14%	0.135	C	C	.	.			trans	-90.7	144.5	-178.8	-62.6	72.3	0	0	0	113.1	H789 D791 R795 D806	H789-H793 PolarHBondContact CD2-O 3.15Å; H789-H793 PolarHBondContact N-O 3.41Å; D791-H793 PolarHBondContact O-ND1 2.98Å; D791-H793 WeakPolarHBondContact OD1-CB 3.25Å; D791-H793 IonicContact OD1-CE1 3.67Å; D791-H793 IonicContact OD1-CG 3.3Å; D791-H793 PolarHBondContact OD1-N 3.35Å; D791-H793 IonicContact OD1-ND1 3.76Å; D791-H793 PolarHBondContact OD1-ND1 3.28Å; D791-H793 IonicContact OD2-ND1 3.83Å; H793-R795 HydrophobicContact CB-CG 4.25Å; H793-D806 WeakPolarHBondContact CB-OD1 3.4Å; H793-D806 IonicContact CD2-OD1 3.62Å; H793-D806 PolarHBondContact CD2-OD1 2.75Å; H793-D806 IonicContact CG-OD1 3.87Å
794	L	90.9	Very high	88.2	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.4	161.7	-70.4	175.2	0	0	0	108.8	M807 P809 L818 L821 L830 A832	L794-M807 HydrophobicContact CD1-SD 4.37Å; L794-M807 PolarHBondContact N-O 3.19Å; L794-M807 PolarHBondContact O-N 2.85Å; L794-P809 HydrophobicContact CD1-CG 4.16Å; L794-P809 HydrophobicContact CG-CG 4.23Å; L794-L818 HydrophobicContact CD2-CD1 3.57Å; L794-L818 HydrophobicContact CG-CD1 3.62Å; L794-L821 HydrophobicContact CD2-CD2 3.63Å; L794-L830 HydrophobicContact CD1-CD2 4.28Å; L794-A832 HydrophobicContact CD2-CB 4.23Å
795	R	89.7	Confident	87.9	Confident	8 Å²	8	31.6 Å²	31.6	3%	0.03	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128	180	-62.9	-177.7	176.6	111.3	5.3	111.1	V786 T787 H789 D791 H793 W797 L803 K805 D806	V786-R795 CarbonylContact C-O 3.58Å; V786-R795 WeakPolarHBondContact CA-O 3.38Å; T787-R795 PolarHBondContact N-O 3.11Å; T787-R795 PolarHBondContact O-N 2.9Å; T787-R795 VanDerWaalsContact O-N 3.09Å; T787-R795 PolarHBondContact OG1-O 3.46Å; H789-R795 PolarHBondContact ND1-NH1 2.67Å; H789-R795 VanDerWaalsContact ND1-NH1 3.12Å; D791-R795 IonicContact OD1-CZ 3.52Å; D791-R795 IonicContact OD1-NH1 2.76Å; D791-R795 PolarHBondContact OD1-NH1 3.37Å; D791-R795 IonicContact OD1-NH2 3.15Å; D791-R795 IonicContact OD2-CZ 3.18Å; D791-R795 VanDerWaalsContact OD2-CZ 3.28Å; D791-R795 IonicContact OD2-NH1 3.94Å; D791-R795 PolarHBondContact OD2-NH1 3.02Å; D791-R795 IonicContact OD2-NH2 2.68Å; D791-R795 PolarHBondContact OD2-NH2 3.47Å; H793-R795 HydrophobicContact CB-CG 4.25Å; R795-W797 HydrophobicContact CB-CZ2 3.79Å; R795-W797 HydrophobicContact CG-CZ2 4.42Å; R795-W797 PolarHBondContact O-NE1 2.82Å; R795-L803 HydrophobicContact CB-CD1 4.17Å; R795-K805 WeakPolarHBondContact CA-O 3.36Å; R795-D806 HydrophobicContact CG-CB 4.4Å; R795-D806 IonicContact CZ-OD2 3.95Å; R795-D806 IonicContact NE-OD1 2.67Å; R795-D806 IonicContact NE-OD2 2.71Å; R795-D806 PolarHBondContact NE-OD2 3.09Å; R795-D806 IonicContact NH2-OD2 3.39Å; R795-D806 PolarHBondContact NH2-OD2 2.71Å
796	L	90.4	Very high	87.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130	-178	-66.6	93.8	0	0	0	110.5	L710 I784 L785 V786 L804 K805 F847 F857	L710-L796 HydrophobicContact CD1-CD2 4.31Å; I784-L796 HydrophobicContact CG2-CB 4.29Å; I784-L796 HydrophobicContact CG2-CD2 4.38Å; L785-L796 CarbonylContact O-C 3.44Å; L785-L796 WeakPolarHBondContact O-CA 3.2Å; V786-L796 HydrophobicContact CG2-CD2 3.96Å; V786-L796 HydrophobicContact CG2-CG 4.06Å; L796-L804 PolarHBondContact O-N 3.1Å; L796-K805 HydrophobicContact CB-CB 4.39Å; L796-K805 HydrophobicContact CD1-CB 4.12Å; L796-K805 HydrophobicContact CD1-CG 4.5Å; L796-K805 PolarHBondContact N-O 2.74Å; L796-K805 PolarHBondContact O-N 2.86Å; L796-F847 HydrophobicContact CD2-CD1 4.17Å; L796-F847 HydrophobicContact CD2-CE1 3.79Å; L796-F857 HydrophobicContact CD1-CD2 4.48Å; L796-F857 HydrophobicContact CD1-CE2 3.84Å; L796-F857 HydrophobicContact CD1-CZ 4.34Å; L796-F857 HydrophobicContact CD2-CD2 4.45Å; L796-F857 HydrophobicContact CD2-CE2 4.06Å
797	W	89.1	Confident	87.2	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147	-168.4	-48.7	91.3	0	0	0	112.2	I671 C685 L687 I784 L785 T787 R795 R802 L803	I671-W797 HydrophobicContact CD1-CD2 4.24Å; I671-W797 HydrophobicContact CD1-CG 3.99Å; C685-W797 HydrophobicContact CB-CE3 4.23Å; C685-W797 HydrophobicContact CB-CH2 4.42Å; C685-W797 HydrophobicContact CB-CZ3 4.04Å; C685-W797 WeakPolarHBondContact SG-CZ3 3.44Å; L687-W797 HydrophobicContact CD1-CH2 3.81Å; L687-W797 HydrophobicContact CD1-CZ2 3.86Å; I784-W797 WeakPolarHBondContact CG2-O 3.47Å; L785-W797 HydrophobicContact CB-CB 4.35Å; L785-W797 PolarHBondContact N-O 2.8Å; L785-W797 PolarHBondContact O-N 2.85Å; T787-W797 PolarHBondContact OG1-NE1 3.38Å; R795-W797 HydrophobicContact CB-CZ2 3.79Å; R795-W797 HydrophobicContact CG-CZ2 4.42Å; R795-W797 PolarHBondContact O-NE1 2.82Å; W797-R802 WeakPolarHBondContact CA-O 3.29Å; W797-L803 HydrophobicContact CD2-CD1 4.15Å; W797-L803 HydrophobicContact CE3-CB 3.86Å; W797-L803 HydrophobicContact CE3-CD1 3.99Å; W797-L803 HydrophobicContact CH2-CB 4.37Å; W797-L803 HydrophobicContact CH2-CD1 3.87Å; W797-L803 HydrophobicContact CH2-CG 4.49Å; W797-L803 HydrophobicContact CZ2-CD1 4.05Å; W797-L803 HydrophobicContact CZ3-CB 3.62Å; W797-L803 HydrophobicContact CZ3-CD1 3.84Å; W797-L803 HydrophobicContact CZ3-CG 4.18Å
798	T	87.9	Confident	86.9	Confident	22 Å²	22	38 Å²	38	14%	0.135	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	163.7	163.6	76.2	0	0	0	0	111.3	E800 G801 R802 L804	T798-E800 WeakPolarHBondContact CB-OE2 3.42Å; T798-E800 PolarHBondContact O-N 3.3Å; T798-E800 PolarHBondContact OG1-N 3.32Å; T798-E800 PolarHBondContact OG1-OE2 2.84Å; T798-G801 PolarHBondContact O-N 3.22Å; T798-R802 HydrophobicContact CG2-CB 4.17Å; T798-R802 PolarHBondContact N-O 3.16Å; T798-R802 PolarHBondContact OG1-N 2.78Å; T798-L804 HydrophobicContact CG2-CD1 3.91Å; T798-L804 HydrophobicContact CG2-CD2 3.61Å; T798-L804 HydrophobicContact CG2-CG 3.72Å
799	L	85.4	Confident	86.4	Confident	24 Å²	24	38.4 Å²	38.4	13%	0.126	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.3	175.3	-62.6	-173.5	0	0	0	113.6	L661 L673 F709 P783 L785 G801	L661-L799 HydrophobicContact CD1-CD1 4.01Å; L661-L799 HydrophobicContact CD1-CD2 4.22Å; L673-L799 HydrophobicContact CD1-CD2 4.47Å; L673-L799 HydrophobicContact CD2-CB 4.29Å; L673-L799 HydrophobicContact CD2-CD2 4.02Å; F709-L799 HydrophobicContact CE1-CD2 4.13Å; P783-L799 HydrophobicContact CG-CD1 3.91Å; P783-L799 HydrophobicContact CG-CD2 4.25Å; P783-L799 HydrophobicContact CG-CG 4.27Å; L785-L799 HydrophobicContact CD1-CD2 4.34Å; L799-G801 VanDerWaalsContact C-N 3.3Å
800	E	81.3	Confident	85.6	Confident	148 Å²	148	42.9 Å²	42.9	69%	0.692	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.8	175.4	-48.9	72.6	-151.1	0	0	113.2	T798	T798-E800 WeakPolarHBondContact CB-OE2 3.42Å; T798-E800 PolarHBondContact O-N 3.3Å; T798-E800 PolarHBondContact OG1-N 3.32Å; T798-E800 PolarHBondContact OG1-OE2 2.84Å
801	G	78.4	Confident	84.8	Confident	12 Å²	12	40.2 Å²	40.2	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	94.1	4.5	178.1	0	0	0	0	0	115.8	V684 T798 L799 L803	V684-G801 WeakPolarHBondContact O-CA 3.41Å; T798-G801 PolarHBondContact O-N 3.22Å; L799-G801 VanDerWaalsContact C-N 3.3Å; G801-L803 PolarHBondContact O-N 2.79Å
802	R	82.8	Confident	83.7	Confident	185 Å²	185	44.9 Å²	44.9	70%	0.698	21%	0.211	S	C	*	.			trans	-76.1	121.5	179	-177	179.6	176.5	-179.5	-0	110.5	W797 T798 L804	W797-R802 WeakPolarHBondContact CA-O 3.29Å; T798-R802 HydrophobicContact CG2-CB 4.17Å; T798-R802 PolarHBondContact N-O 3.16Å; T798-R802 PolarHBondContact OG1-N 2.78Å; R802-L804 PolarHBondContact O-N 2.95Å
803	L	85.7	Confident	82.6	Confident	47 Å²	47	49 Å²	49	25%	0.246	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	116.2	166.6	-173.9	58.5	0	0	0	109.7	F691 R795 W797 G801 K805 D806	F691-L803 HydrophobicContact CE2-CD2 4.3Å; F691-L803 HydrophobicContact CZ-CD2 4.09Å; R795-L803 HydrophobicContact CB-CD1 4.17Å; W797-L803 HydrophobicContact CD2-CD1 4.15Å; W797-L803 HydrophobicContact CE3-CB 3.86Å; W797-L803 HydrophobicContact CE3-CD1 3.99Å; W797-L803 HydrophobicContact CH2-CB 4.37Å; W797-L803 HydrophobicContact CH2-CD1 3.87Å; W797-L803 HydrophobicContact CH2-CG 4.49Å; W797-L803 HydrophobicContact CZ2-CD1 4.05Å; W797-L803 HydrophobicContact CZ3-CB 3.62Å; W797-L803 HydrophobicContact CZ3-CD1 3.84Å; W797-L803 HydrophobicContact CZ3-CG 4.18Å; G801-L803 PolarHBondContact O-N 2.79Å; L803-K805 WeakPolarHBondContact CD1-O 3.43Å; L803-D806 HydrophobicContact CD1-CB 4.48Å; L803-D806 HydrophobicContact CD2-CB 4.32Å
804	L	84.9	Confident	81.6	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.168	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-40.2	173.9	-66.8	-179.4	0	0	0	111.5	I784 L796 T798 R802 F847	I784-L804 HydrophobicContact CD1-CD1 3.57Å; I784-L804 HydrophobicContact CG1-CD1 3.9Å; I784-L804 HydrophobicContact CG2-CD1 4.16Å; L796-L804 PolarHBondContact O-N 3.1Å; T798-L804 HydrophobicContact CG2-CD1 3.91Å; T798-L804 HydrophobicContact CG2-CD2 3.61Å; T798-L804 HydrophobicContact CG2-CG 3.72Å; R802-L804 PolarHBondContact O-N 2.95Å; L804-F847 HydrophobicContact CB-CZ 4.14Å
805	K	84.7	Confident	81.1	Confident	34 Å²	34	54.5 Å²	54.5	15%	0.148	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	132.1	179.5	-174.1	67.4	-167.2	160.4	0	110.7	R795 L796 L803 M807 F847 E854	R795-K805 WeakPolarHBondContact CA-O 3.36Å; L796-K805 HydrophobicContact CB-CB 4.39Å; L796-K805 HydrophobicContact CD1-CB 4.12Å; L796-K805 HydrophobicContact CD1-CG 4.5Å; L796-K805 PolarHBondContact N-O 2.74Å; L796-K805 PolarHBondContact O-N 2.86Å; L803-K805 WeakPolarHBondContact CD1-O 3.43Å; K805-M807 HydrophobicContact CG-CB 4.34Å; K805-F847 HydrophobicContact CB-CE2 4.44Å; K805-F847 HydrophobicContact CB-CZ 4.03Å; K805-E854 HydrophobicContact CD-CB 4.47Å; K805-E854 HydrophobicContact CD-CG 4.16Å; K805-E854 WeakPolarHBondContact CD-OE1 3.5Å; K805-E854 IonicContact NZ-OE1 2.79Å; K805-E854 PolarHBondContact NZ-OE1 2.96Å; K805-E854 IonicContact NZ-OE2 3.92Å; K805-E854 PolarHBondContact NZ-OE2 2.82Å
806	D	85.8	Confident	80.9	Confident	37 Å²	37	54.7 Å²	54.7	20%	0.198	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.3	158.8	-162.7	-17.8	0	0	0	108.3	F691 H793 R795 L803	F691-D806 HydrophobicContact CZ-CB 4.48Å; F691-D806 VanDerWaalsContact CZ-OD2 3.26Å; F691-D806 WeakPolarHBondContact CZ-OD2 3.39Å; H793-D806 WeakPolarHBondContact CB-OD1 3.4Å; H793-D806 IonicContact CD2-OD1 3.62Å; H793-D806 PolarHBondContact CD2-OD1 2.75Å; H793-D806 IonicContact CG-OD1 3.87Å; R795-D806 HydrophobicContact CG-CB 4.4Å; R795-D806 IonicContact CZ-OD2 3.95Å; R795-D806 IonicContact NE-OD1 2.67Å; R795-D806 IonicContact NE-OD2 2.71Å; R795-D806 PolarHBondContact NE-OD2 3.09Å; R795-D806 IonicContact NH2-OD2 3.39Å; R795-D806 PolarHBondContact NH2-OD2 2.71Å; L803-D806 HydrophobicContact CD1-CB 4.48Å; L803-D806 HydrophobicContact CD2-CB 4.32Å
807	M	85.1	Confident	81	Confident	16 Å²	16	55 Å²	55	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	113.9	-173.6	-171.7	-90.2	180	0	0	110.6	L794 K805 P809 F857 Q859	L794-M807 HydrophobicContact CD1-SD 4.37Å; L794-M807 PolarHBondContact N-O 3.19Å; L794-M807 PolarHBondContact O-N 2.85Å; K805-M807 HydrophobicContact CG-CB 4.34Å; M807-P809 WeakPolarHBondContact O-CD 3.44Å; M807-P809 HydrophobicContact SD-CB 4.4Å; M807-P809 HydrophobicContact SD-CG 4.06Å; M807-F857 HydrophobicContact CE-CE1 4.42Å; M807-F857 HydrophobicContact CG-CE1 4.07Å; M807-F857 HydrophobicContact SD-CE1 4.17Å; M807-Q859 HydrophobicContact CE-CB 3.88Å; M807-Q859 HydrophobicContact CE-CG 4.37Å; M807-Q859 VanDerWaalsContact CE-OE1 3.27Å
808	L	85.5	Confident	81.2	Confident	82 Å²	82	55 Å²	55	43%	0.429	28%	0.281	S	S	.	.			trans	-82.1	118.5	166.1	-172.6	62.4	0	0	0	108.9	F810 A815	L808-F810 PolarHBondContact O-N 3.32Å; L808-A815 HydrophobicContact CD1-CB 4.15Å
809	P	83.6	Confident	81.4	Confident	8 Å²	8	54.9 Å²	54.9	5%	0.052	28%	0.28	C	S	.	.			trans	-61.8	134.5	179.4	-25.9	37.4	0	0	0	112.4	G792 L794 M807 T811 L818 I840	G792-P809 WeakPolarHBondContact O-CD 3.5Å; L794-P809 HydrophobicContact CD1-CG 4.16Å; L794-P809 HydrophobicContact CG-CG 4.23Å; M807-P809 WeakPolarHBondContact O-CD 3.44Å; M807-P809 HydrophobicContact SD-CB 4.4Å; M807-P809 HydrophobicContact SD-CG 4.06Å; P809-T811 PolarHBondContact O-N 3.23Å; P809-T811 VanDerWaalsContact O-N 3.09Å; P809-T811 PolarHBondContact O-OG1 3.12Å; P809-L818 HydrophobicContact CG-CD1 4.17Å; P809-L818 HydrophobicContact CG-CD2 4.44Å; P809-I840 HydrophobicContact CB-CD1 3.53Å; P809-I840 HydrophobicContact CB-CG1 4.02Å; P809-I840 HydrophobicContact CB-CG2 4.13Å; P809-I840 HydrophobicContact CG-CD1 3.9Å
810	F	76.1	Confident	81.8	Confident	95 Å²	95	54 Å²	54	42%	0.417	28%	0.275	S	S	.	.			trans	-67.4	113.9	171.9	-177.1	-91.2	0	0	0	108.8	L808 Q859 I930 I932	L808-F810 PolarHBondContact O-N 3.32Å; F810-Q859 PolarHBondContact O-NE2 2.87Å; F810-I930 HydrophobicContact CE1-CG2 4.45Å; F810-I932 HydrophobicContact CB-CD1 4.12Å; F810-I932 HydrophobicContact CD1-CD1 3.9Å; F810-I932 HydrophobicContact CD1-CG1 4Å; F810-I932 HydrophobicContact CG-CD1 4.45Å
811	T	71	Confident	82.5	Confident	22 Å²	22	47.5 Å²	47.5	14%	0.135	25%	0.246	C	C	.	.			trans	-135.7	163	176.1	47.3	0	0	0	0	107.9	P809 H813 I816 I840	P809-T811 PolarHBondContact O-N 3.23Å; P809-T811 VanDerWaalsContact O-N 3.09Å; P809-T811 PolarHBondContact O-OG1 3.12Å; T811-H813 VanDerWaalsContact C-N 3.26Å; T811-H813 PolarHBondContact O-N 3.1Å; T811-H813 PolarHBondContact OG1-O 3.03Å; T811-H813 VanDerWaalsContact OG1-O 3.11Å; T811-I816 HydrophobicContact CG2-CD1 4.32Å; T811-I840 HydrophobicContact CG2-CD1 4.23Å; T811-I840 HydrophobicContact CG2-CG1 4.34Å
812	K	64.1	Low	83.3	Confident	122 Å²	122	50.6 Å²	50.6	53%	0.53	25%	0.254	S	S	.	.	S	Bend	trans	-69.9	-23.8	-176.1	-179.8	-173.7	165.4	-165.5	0	113.4	E927	K812-E927 WeakPolarHBondContact CD-OE2 3.46Å; K812-E927 WeakPolarHBondContact CE-OE2 3.29Å; K812-E927 IonicContact NZ-OE1 3.86Å; K812-E927 IonicContact NZ-OE2 2.83Å; K812-E927 PolarHBondContact NZ-OE2 3.01Å
813	H	63.9	Low	83.7	Confident	87 Å²	87	42.9 Å²	42.9	40%	0.403	23%	0.228	S	C	.	.	S	Bend	trans	-109.9	163.5	175.5	-60.5	-66.6	0	0	0	110.1	T811 I816 E836 H838	T811-H813 VanDerWaalsContact C-N 3.26Å; T811-H813 PolarHBondContact O-N 3.1Å; T811-H813 PolarHBondContact OG1-O 3.03Å; T811-H813 VanDerWaalsContact OG1-O 3.11Å; H813-I816 HydrophobicContact CB-CD1 4.21Å; H813-I816 HydrophobicContact CB-CG1 4.43Å; H813-E836 IonicContact CD2-OE2 2.74Å; H813-E836 PolarHBondContact CD2-OE2 2.74Å; H813-E836 IonicContact CG-OE2 2.75Å; H813-H838 AromaticContact CD2-NE2 3.96Å
814	S	67.8	Low	83.8	Confident	109 Å²	109	41.1 Å²	41.1	76%	0.762	22%	0.218	S	C	*	.	S	Bend	trans	-79.7	132.7	-179.4	55.1	0	0	0	0	111.5
815	A	80.1	Confident	83.6	Confident	52 Å²	52	43.8 Å²	43.8	43%	0.43	24%	0.24	S	C	.	.			trans	40.2	78	161.7	0	0	0	0	0	114.8	L808	L808-A815 HydrophobicContact CD1-CB 4.15Å
816	I	86.3	Confident	83.4	Confident	11 Å²	11	42.5 Å²	42.5	6%	0.056	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-98.1	128.9	-179.4	-51.4	163.3	0	0	0	108.2	G792 T811 H813 L818 N834 V835 E836	G792-I816 WeakPolarHBondContact CA-O 3.37Å; T811-I816 HydrophobicContact CG2-CD1 4.32Å; H813-I816 HydrophobicContact CB-CD1 4.21Å; H813-I816 HydrophobicContact CB-CG1 4.43Å; I816-L818 PolarHBondContact O-N 2.83Å; I816-N834 WeakPolarHBondContact CD1-ND2 3.34Å; I816-N834 HydrophobicContact CG2-CB 4Å; I816-N834 WeakPolarHBondContact CG2-ND2 3.23Å; I816-V835 HydrophobicContact CG2-CG2 3.56Å; I816-E836 HydrophobicContact CD1-CB 4.43Å; I816-E836 HydrophobicContact CD1-CG 4.38Å; I816-E836 WeakPolarHBondContact CD1-OE2 3.27Å; I816-E836 HydrophobicContact CG2-CB 4.1Å; I816-E836 HydrophobicContact CG2-CG 3.81Å
817	S	90.8	Very high	83.5	Confident	8 Å²	8	41 Å²	41	6%	0.056	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-52.3	131.7	176.7	172.6	0	0	0	0	111.8	N705 E790 N834 V835	N705-S817 PolarHBondContact ND2-OG 3.35Å; E790-S817 WeakPolarHBondContact O-CB 3.43Å; E790-S817 WeakPolarHBondContact OE2-CB 3.43Å; E790-S817 PolarHBondContact OE2-OG 2.94Å; S817-N834 WeakPolarHBondContact O-CA 3.25Å; S817-N834 VanDerWaalsContact O-CB 3.3Å; S817-N834 WeakPolarHBondContact O-CB 3.45Å; S817-V835 PolarHBondContact O-N 2.81Å; S817-V835 VanDerWaalsContact O-N 3.09Å
818	L	93.6	Very high	83.5	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.2	177.4	-61.4	178.7	0	0	0	109.9	N705 A788 H789 G792 L794 P809 I816 G833 N834 I840	N705-L818 WeakPolarHBondContact CB-O 3.36Å; N705-L818 PolarHBondContact ND2-O 3.27Å; A788-L818 HydrophobicContact CB-CB 3.83Å; H789-L818 PolarHBondContact O-N 2.95Å; G792-L818 WeakPolarHBondContact O-CD1 3.42Å; L794-L818 HydrophobicContact CD2-CD1 3.57Å; L794-L818 HydrophobicContact CG-CD1 3.62Å; P809-L818 HydrophobicContact CG-CD1 4.17Å; P809-L818 HydrophobicContact CG-CD2 4.44Å; I816-L818 PolarHBondContact O-N 2.83Å; L818-G833 WeakPolarHBondContact CA-O 3.21Å; L818-N834 HydrophobicContact CD2-CB 3.95Å; L818-I840 HydrophobicContact CD2-CD1 3.79Å
819	T	93	Very high	83.8	Confident	19 Å²	19	41.2 Å²	41.2	12%	0.117	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-36.3	-164.9	54.7	0	0	0	0	114.2	G833 N834 V835 E869 I870	T819-G833 PolarHBondContact N-O 2.87Å; T819-G833 VanDerWaalsContact OG1-C 3.27Å; T819-G833 PolarHBondContact OG1-O 3.05Å; T819-N834 PolarHBondContact OG1-N 3.34Å; T819-V835 HydrophobicContact CG2-CB 4.45Å; T819-V835 HydrophobicContact CG2-CG1 3.45Å; T819-V835 VanDerWaalsContact CG2-CG1 3.45Å; T819-E869 HydrophobicContact CG2-CG 4.04Å; T819-E869 VanDerWaalsContact CG2-OE1 3.32Å; T819-E869 WeakPolarHBondContact CG2-OE1 3.35Å; T819-I870 VanDerWaalsContact CB-O 3.28Å; T819-I870 WeakPolarHBondContact CB-O 3.25Å; T819-I870 PolarHBondContact OG1-O 2.86Å
820	S	94.1	Very high	84.2	Confident	5 Å²	5	40.9 Å²	40.9	4%	0.035	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	152.4	-177	46.3	0	0	0	0	112.3	D706 A832 G833 I871	D706-S820 WeakPolarHBondContact OD2-CA 3.13Å; S820-A832 VanDerWaalsContact O-CA 3.28Å; S820-A832 WeakPolarHBondContact O-CA 3.28Å; S820-G833 PolarHBondContact O-N 3.33Å; S820-I871 VanDerWaalsContact CB-O 3.28Å; S820-I871 WeakPolarHBondContact CB-O 3.36Å; S820-I871 PolarHBondContact OG-O 3.22Å
821	L	95.8	Very high	85.1	Confident	13 Å²	13	36.4 Å²	36.4	7%	0.068	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.2	177.8	-64.3	175.9	0	0	0	111.6	D706 L708 V786 A788 L794 L830 L831 A832	D706-L821 HydrophobicContact CB-CD1 4.47Å; D706-L821 HydrophobicContact CB-CG 4.27Å; D706-L821 PolarHBondContact OD2-N 3.09Å; L708-L821 HydrophobicContact CB-CB 4.41Å; L708-L821 HydrophobicContact CB-CD1 4.17Å; L708-L821 HydrophobicContact CD2-CB 4.24Å; V786-L821 HydrophobicContact CB-CD1 4.28Å; V786-L821 HydrophobicContact CG1-CD1 3.86Å; V786-L821 HydrophobicContact CG1-CD2 4.49Å; A788-L821 HydrophobicContact CB-CD1 4.07Å; A788-L821 HydrophobicContact CB-CD2 4.04Å; A788-L821 HydrophobicContact CB-CG 3.91Å; L794-L821 HydrophobicContact CD2-CD2 3.63Å; L821-L830 HydrophobicContact CD2-CD1 4.39Å; L821-L831 WeakPolarHBondContact CA-O 3.44Å; L821-A832 HydrophobicContact CD2-CB 3.98Å
822	Y	94.3	Very high	86.3	Confident	76 Å²	76	35.4 Å²	35.4	30%	0.298	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	149.6	170.2	-161	-94.5	0	0	0	111.8	L830 L831 V873 I874 Y875	Y822-L830 WeakPolarHBondContact O-CA 3.31Å; Y822-L831 PolarHBondContact N-O 3.49Å; Y822-L831 PolarHBondContact O-N 3.07Å; Y822-V873 WeakPolarHBondContact CB-O 3.37Å; Y822-V873 WeakPolarHBondContact CD2-O 3.29Å; Y822-I874 HydrophobicContact CD2-CG1 4.33Å; Y822-I874 HydrophobicContact CE1-CG2 4.3Å; Y822-I874 HydrophobicContact CE2-CB 4.32Å; Y822-I874 HydrophobicContact CE2-CG1 4.13Å; Y822-I874 HydrophobicContact CE2-CG2 4.09Å; Y822-Y875 VanDerWaalsContact CD1-N 3.32Å
823	T	92.3	Very high	87.7	Confident	24 Å²	24	29.6 Å²	29.6	15%	0.147	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.7	176.9	-162.8	0	0	0	0	110.9	L708 L710 T827 I829	L708-T823 HydrophobicContact CD2-CG2 3.88Å; L710-T823 HydrophobicContact CD2-CG2 3.98Å; T823-T827 HydrophobicContact CG2-CG2 3.92Å; T823-I829 WeakPolarHBondContact CA-O 3.13Å; T823-I829 WeakPolarHBondContact CB-O 3.15Å; T823-I829 PolarHBondContact OG1-O 3.43Å
824	D	86.9	Confident	89.2	Confident	9 Å²	9	25.4 Å²	25.4	5%	0.048	15%	0.151	C	C	.	.			trans	-80.2	167.8	175.6	67.4	-67.3	0	0	0	112.9	C826 T827 R828 I829 Y875	D824-C826 PolarHBondContact O-N 3.11Å; D824-C826 PolarHBondContact OD2-N 2.92Å; D824-T827 PolarHBondContact O-N 2.86Å; D824-T827 PolarHBondContact OD2-N 3.04Å; D824-R828 WeakPolarHBondContact OD1-CA 3.19Å; D824-R828 PolarHBondContact OD1-N 3.36Å; D824-R828 WeakPolarHBondContact OD2-CB 3.43Å; D824-R828 PolarHBondContact OD2-N 3.06Å; D824-R828 IonicContact OD2-NE 3.26Å; D824-R828 PolarHBondContact OD2-NE 3.15Å; D824-I829 HydrophobicContact CB-CG1 4.11Å; D824-I829 WeakPolarHBondContact OD1-CG1 3.16Å; D824-I829 PolarHBondContact OD1-N 3.46Å; D824-Y875 HydrophobicContact CB-CD1 3.9Å; D824-Y875 HydrophobicContact CB-CE1 3.81Å
825	S	81.6	Confident	90.4	Very high	89 Å²	89	22.7 Å²	22.7	62%	0.622	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.6	-177.7	65.6	0	0	0	0	114.8	E877	S825-E877 PolarHBondContact OG-OE2 2.97Å
826	C	80.8	Confident	90.9	Very high	6 Å²	6	23.1 Å²	23.1	4%	0.041	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	13.4	-179.5	-73.5	0	0	0	0	114.4	R712 C716 D824 R828	R712-C826 PolarHBondContact NE-O 2.9Å; C716-C826 HydrophobicContact CB-CB 3.56Å; C716-C826 WeakPolarHBondContact CB-SG 3.17Å; C716-C826 WeakPolarHBondContact SG-CA 3.42Å; C716-C826 WeakPolarHBondContact SG-CB 3.39Å; C716-C826 CovalentContact SG-SG 2.04Å; C716-C826 PolarHBondContact SG-SG 3.43Å; D824-C826 PolarHBondContact O-N 3.11Å; D824-C826 PolarHBondContact OD2-N 2.92Å; C826-R828 HydrophobicContact CB-CG 4.02Å; C826-R828 PolarHBondContact O-N 2.75Å
827	T	86.1	Confident	91.1	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.037	12%	0.12	C	C	.	.	S	Bend	trans	46.9	56.8	179.1	51.1	0	0	0	0	112.7	L710 F711 R712 T823 D824 L848	L710-T827 HydrophobicContact CB-CG2 4.42Å; L710-T827 HydrophobicContact CD2-CG2 3.79Å; F711-T827 WeakPolarHBondContact O-CG2 3.45Å; F711-T827 PolarHBondContact O-OG1 3.47Å; R712-T827 PolarHBondContact NH2-O 3.46Å; T823-T827 HydrophobicContact CG2-CG2 3.92Å; D824-T827 PolarHBondContact O-N 2.86Å; D824-T827 PolarHBondContact OD2-N 3.04Å; T827-L848 WeakPolarHBondContact OG1-CD1 3.45Å
828	R	85.9	Confident	91.2	Very high	75 Å²	75	22.6 Å²	22.6	28%	0.283	12%	0.119	S	C	.	.			trans	-102.9	-34.4	177.5	-59.7	-172	-85	-163.1	-3	112.2	D723 D824 C826 N843 I844 S845 E877	D723-R828 IonicContact OD2-NH1 2.82Å; D824-R828 WeakPolarHBondContact OD1-CA 3.19Å; D824-R828 PolarHBondContact OD1-N 3.36Å; D824-R828 WeakPolarHBondContact OD2-CB 3.43Å; D824-R828 PolarHBondContact OD2-N 3.06Å; D824-R828 IonicContact OD2-NE 3.26Å; D824-R828 PolarHBondContact OD2-NE 3.15Å; C826-R828 HydrophobicContact CB-CG 4.02Å; C826-R828 PolarHBondContact O-N 2.75Å; R828-N843 PolarHBondContact O-OD1 2.97Å; R828-I844 VanDerWaalsContact C-CG1 3.48Å; R828-I844 WeakPolarHBondContact O-CG1 3.32Å; R828-I844 PolarHBondContact O-N 2.86Å; R828-S845 PolarHBondContact O-N 2.8Å; R828-E877 IonicContact CZ-OE1 3.4Å; R828-E877 IonicContact NE-OE1 3.88Å; R828-E877 IonicContact NH2-OE1 3.39Å; R828-E877 PolarHBondContact NH2-OE1 3.42Å
829	I	90.8	Very high	91.3	Very high	27 Å²	27	22.5 Å²	22.5	14%	0.138	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.9	175.9	66.8	165.3	0	0	0	112.2	T823 D824 L841 C842 Y875	T823-I829 WeakPolarHBondContact CA-O 3.13Å; T823-I829 WeakPolarHBondContact CB-O 3.15Å; T823-I829 PolarHBondContact OG1-O 3.43Å; D824-I829 HydrophobicContact CB-CG1 4.11Å; D824-I829 WeakPolarHBondContact OD1-CG1 3.16Å; D824-I829 PolarHBondContact OD1-N 3.46Å; I829-L841 HydrophobicContact CB-CD1 3.93Å; I829-L841 HydrophobicContact CD1-CD1 3.94Å; I829-L841 HydrophobicContact CG2-CD1 4.19Å; I829-C842 CarbonylContact C-O 3.59Å; I829-C842 VanDerWaalsContact CA-O 3.26Å; I829-C842 WeakPolarHBondContact CA-O 3.44Å; I829-Y875 HydrophobicContact CD1-CD1 3.67Å; I829-Y875 HydrophobicContact CD1-CD2 4Å; I829-Y875 HydrophobicContact CD1-CE1 3.7Å; I829-Y875 HydrophobicContact CD1-CE2 4.05Å; I829-Y875 HydrophobicContact CD1-CG 3.79Å; I829-Y875 HydrophobicContact CG1-CD1 4.38Å; I829-Y875 HydrophobicContact CG1-CE1 4.35Å
830	L	93.4	Very high	91.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.5	171.3	178.3	70.7	0	0	0	107.7	L708 V786 L794 L821 Y822 C842 I844 F857	L708-L830 HydrophobicContact CD2-CD1 4.3Å; V786-L830 HydrophobicContact CG1-CD1 4.4Å; V786-L830 HydrophobicContact CG1-CD2 3.97Å; L794-L830 HydrophobicContact CD1-CD2 4.28Å; L821-L830 HydrophobicContact CD2-CD1 4.39Å; Y822-L830 WeakPolarHBondContact O-CA 3.31Å; L830-C842 HydrophobicContact CB-CB 4.29Å; L830-C842 PolarHBondContact N-O 2.95Å; L830-C842 PolarHBondContact O-N 2.75Å; L830-I844 HydrophobicContact CB-CD1 4.29Å; L830-I844 HydrophobicContact CB-CG1 4.49Å; L830-I844 HydrophobicContact CB-CG2 3.81Å; L830-I844 HydrophobicContact CD2-CG2 4.48Å; L830-F857 HydrophobicContact CD2-CE2 4.48Å; L830-F857 HydrophobicContact CD2-CZ 4.36Å
831	L	94.7	Very high	91.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	145.2	170.3	-73.7	165.6	0	0	0	109.8	L821 Y822 V839 I840 L841 W863 V873 V882	L821-L831 WeakPolarHBondContact CA-O 3.44Å; Y822-L831 PolarHBondContact N-O 3.49Å; Y822-L831 PolarHBondContact O-N 3.07Å; L831-V839 HydrophobicContact CD2-CG1 3.73Å; L831-I840 WeakPolarHBondContact CA-O 3.47Å; L831-L841 HydrophobicContact CD2-CB 3.9Å; L831-L841 HydrophobicContact CD2-CD1 3.75Å; L831-L841 HydrophobicContact CD2-CG 4.39Å; L831-L841 HydrophobicContact CG-CD1 4.18Å; L831-W863 HydrophobicContact CD2-CH2 4.31Å; L831-V873 HydrophobicContact CB-CG1 4.03Å; L831-V873 HydrophobicContact CD1-CG1 3.86Å; L831-V873 HydrophobicContact CG-CG1 4.42Å; L831-V882 HydrophobicContact CD1-CG1 4.09Å; L831-V882 HydrophobicContact CD1-CG2 3.75Å; L831-V882 HydrophobicContact CD2-CG2 4.4Å
832	A	95.5	Very high	91.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.9	170.2	0	0	0	0	0	111.5	L794 S820 L821 V839 I840	L794-A832 HydrophobicContact CD2-CB 4.23Å; S820-A832 VanDerWaalsContact O-CA 3.28Å; S820-A832 WeakPolarHBondContact O-CA 3.28Å; L821-A832 HydrophobicContact CD2-CB 3.98Å; A832-V839 WeakPolarHBondContact O-CA 3.23Å; A832-I840 HydrophobicContact CB-CB 4.38Å; A832-I840 PolarHBondContact N-O 3.44Å; A832-I840 PolarHBondContact O-N 2.8Å
833	G	95	Very high	90.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	161.8	169.5	0	0	0	0	0	112.4	L818 T819 S820	L818-G833 WeakPolarHBondContact CA-O 3.21Å; T819-G833 PolarHBondContact N-O 2.87Å; T819-G833 VanDerWaalsContact OG1-C 3.27Å; T819-G833 PolarHBondContact OG1-O 3.05Å; S820-G833 PolarHBondContact O-N 3.33Å
834	N	94.1	Very high	90.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	166.8	178	87.5	7	0	0	0	114.4	I816 S817 L818 T819 E836 G837 H838 I870	I816-N834 WeakPolarHBondContact CD1-ND2 3.34Å; I816-N834 HydrophobicContact CG2-CB 4Å; I816-N834 WeakPolarHBondContact CG2-ND2 3.23Å; S817-N834 WeakPolarHBondContact O-CA 3.25Å; S817-N834 VanDerWaalsContact O-CB 3.3Å; S817-N834 WeakPolarHBondContact O-CB 3.45Å; L818-N834 HydrophobicContact CD2-CB 3.95Å; T819-N834 PolarHBondContact OG1-N 3.34Å; N834-E836 PolarHBondContact O-N 2.87Å; N834-E836 WeakPolarHBondContact OD1-CA 3.35Å; N834-E836 PolarHBondContact OD1-N 2.55Å; N834-G837 PolarHBondContact O-N 3.45Å; N834-G837 VanDerWaalsContact O-N 3.13Å; N834-G837 PolarHBondContact OD1-N 3.36Å; N834-G837 VanDerWaalsContact OD1-N 3.08Å; N834-H838 PolarHBondContact N-O 3.42Å; N834-H838 PolarHBondContact ND2-CE1 3.1Å; N834-H838 PolarHBondContact OD1-CE1 3.1Å; N834-H838 PolarHBondContact OD1-N 3.41Å; N834-I870 PolarHBondContact O-N 3.17Å
835	V	93.5	Very high	90.3	Very high	52 Å²	52	20.1 Å²	20.1	32%	0.315	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.2	-177.5	-58.6	0	0	0	0	115.3	I816 S817 T819 E869	I816-V835 HydrophobicContact CG2-CG2 3.56Å; S817-V835 PolarHBondContact O-N 2.81Å; S817-V835 VanDerWaalsContact O-N 3.09Å; T819-V835 HydrophobicContact CG2-CB 4.45Å; T819-V835 HydrophobicContact CG2-CG1 3.45Å; T819-V835 VanDerWaalsContact CG2-CG1 3.45Å; V835-E869 HydrophobicContact CB-CB 4.48Å; V835-E869 HydrophobicContact CB-CG 4.45Å; V835-E869 HydrophobicContact CG1-CG 4.32Å
836	E	90.4	Very high	90	Very high	60 Å²	60	18 Å²	18	28%	0.28	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	0.3	173.7	-72.9	-170.3	177.7	0	0	113	H813 I816 N834 H838 R864	H813-E836 IonicContact CD2-OE2 2.74Å; H813-E836 PolarHBondContact CD2-OE2 2.74Å; H813-E836 IonicContact CG-OE2 2.75Å; I816-E836 HydrophobicContact CD1-CB 4.43Å; I816-E836 HydrophobicContact CD1-CG 4.38Å; I816-E836 WeakPolarHBondContact CD1-OE2 3.27Å; I816-E836 HydrophobicContact CG2-CB 4.1Å; I816-E836 HydrophobicContact CG2-CG 3.81Å; N834-E836 PolarHBondContact O-N 2.87Å; N834-E836 WeakPolarHBondContact OD1-CA 3.35Å; N834-E836 PolarHBondContact OD1-N 2.55Å; E836-H838 VanDerWaalsContact CA-CE1 3.45Å; E836-H838 WeakPolarHBondContact CA-CE1 3.45Å; E836-H838 WeakPolarHBondContact CB-CE1 3.49Å; E836-H838 VanDerWaalsContact CB-NE2 3.34Å; E836-H838 WeakPolarHBondContact CB-NE2 3.38Å; E836-H838 PolarHBondContact O-CE1 2.74Å; E836-H838 IonicContact OE2-CE1 2.7Å; E836-H838 IonicContact OE2-NE2 2.91Å; E836-H838 PolarHBondContact OE2-NE2 3.36Å; E836-R864 PolarHBondContact O-NE 3.33Å; E836-R864 PolarHBondContact O-NH2 2.87Å
837	G	91.2	Very high	90.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	86.1	19.3	179.4	0	0	0	0	0	114.9	N834 A865 H866 L868 I870	N834-G837 PolarHBondContact O-N 3.45Å; N834-G837 VanDerWaalsContact O-N 3.13Å; N834-G837 PolarHBondContact OD1-N 3.36Å; N834-G837 VanDerWaalsContact OD1-N 3.08Å; G837-A865 PolarHBondContact O-N 3.32Å; G837-H866 PolarHBondContact O-N 2.82Å; G837-L868 WeakPolarHBondContact CA-O 3.49Å; G837-L868 PolarHBondContact N-O 3.07Å; G837-I870 VanDerWaalsContact C-CD1 3.42Å
838	H	92.9	Very high	89.7	Confident	8 Å²	8	17.8 Å²	17.8	4%	0.037	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.3	173.4	-54.3	84.8	0	0	0	112.5	H813 N834 E836 W863 I870	H813-H838 AromaticContact CD2-NE2 3.96Å; N834-H838 PolarHBondContact N-O 3.42Å; N834-H838 PolarHBondContact ND2-CE1 3.1Å; N834-H838 PolarHBondContact OD1-CE1 3.1Å; N834-H838 PolarHBondContact OD1-N 3.41Å; E836-H838 VanDerWaalsContact CA-CE1 3.45Å; E836-H838 WeakPolarHBondContact CA-CE1 3.45Å; E836-H838 WeakPolarHBondContact CB-CE1 3.49Å; E836-H838 VanDerWaalsContact CB-NE2 3.34Å; E836-H838 WeakPolarHBondContact CB-NE2 3.38Å; E836-H838 PolarHBondContact O-CE1 2.74Å; E836-H838 IonicContact OE2-CE1 2.7Å; E836-H838 IonicContact OE2-NE2 2.91Å; E836-H838 PolarHBondContact OE2-NE2 3.36Å; H838-W863 CarbonylContact C-O 3.6Å; H838-W863 VanDerWaalsContact CA-O 3.23Å; H838-W863 WeakPolarHBondContact CA-O 3.46Å; H838-I870 WeakPolarHBondContact O-CD1 3.29Å
839	V	94.6	Very high	89.2	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.1	165.5	-174.7	0	0	0	0	109.1	L831 A832 S862 W863 A865 I870 V873 T884	L831-V839 HydrophobicContact CD2-CG1 3.73Å; A832-V839 WeakPolarHBondContact O-CA 3.23Å; V839-S862 VanDerWaalsContact O-CA 3.31Å; V839-S862 WeakPolarHBondContact O-CA 3.36Å; V839-S862 PolarHBondContact O-OG 2.96Å; V839-W863 HydrophobicContact CB-CD2 4.01Å; V839-W863 HydrophobicContact CB-CE3 4.06Å; V839-W863 HydrophobicContact CB-CH2 3.8Å; V839-W863 HydrophobicContact CB-CZ2 3.72Å; V839-W863 HydrophobicContact CB-CZ3 3.96Å; V839-W863 HydrophobicContact CG1-CE3 4.34Å; V839-W863 HydrophobicContact CG1-CH2 3.39Å; V839-W863 HydrophobicContact CG1-CZ2 3.71Å; V839-W863 HydrophobicContact CG1-CZ3 3.73Å; V839-W863 HydrophobicContact CG2-CZ2 4.06Å; V839-W863 PolarHBondContact N-O 3.38Å; V839-W863 PolarHBondContact O-N 2.86Å; V839-W863 VanDerWaalsContact O-N 3.11Å; V839-A865 HydrophobicContact CG2-CB 3.89Å; V839-I870 HydrophobicContact CG2-CD1 3.79Å; V839-V873 HydrophobicContact CG1-CG1 4.34Å; V839-V873 HydrophobicContact CG2-CG2 4.49Å; V839-T884 HydrophobicContact CG2-CG2 3.6Å
840	I	93.3	Very high	88	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.4	175.5	-68.6	143.5	0	0	0	107.9	P809 T811 L818 L831 A832 Q859	P809-I840 HydrophobicContact CB-CD1 3.53Å; P809-I840 HydrophobicContact CB-CG1 4.02Å; P809-I840 HydrophobicContact CB-CG2 4.13Å; P809-I840 HydrophobicContact CG-CD1 3.9Å; T811-I840 HydrophobicContact CG2-CD1 4.23Å; T811-I840 HydrophobicContact CG2-CG1 4.34Å; L818-I840 HydrophobicContact CD2-CD1 3.79Å; L831-I840 WeakPolarHBondContact CA-O 3.47Å; A832-I840 HydrophobicContact CB-CB 4.38Å; A832-I840 PolarHBondContact N-O 3.44Å; A832-I840 PolarHBondContact O-N 2.8Å; I840-Q859 HydrophobicContact CG2-CG 4.12Å
841	L	93.7	Very high	86.9	Confident	10 Å²	10	24.2 Å²	24.2	5%	0.052	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123	174.2	173.7	63.7	0	0	0	110.7	I829 L831 L860 L861 W863 A896	I829-L841 HydrophobicContact CB-CD1 3.93Å; I829-L841 HydrophobicContact CD1-CD1 3.94Å; I829-L841 HydrophobicContact CG2-CD1 4.19Å; L831-L841 HydrophobicContact CD2-CB 3.9Å; L831-L841 HydrophobicContact CD2-CD1 3.75Å; L831-L841 HydrophobicContact CD2-CG 4.39Å; L831-L841 HydrophobicContact CG-CD1 4.18Å; L841-L860 HydrophobicContact CD2-CB 4.48Å; L841-L860 HydrophobicContact CD2-CD1 4.32Å; L841-L860 HydrophobicContact CG-CB 4.44Å; L841-L860 HydrophobicContact CG-CD1 4.45Å; L841-L860 PolarHBondContact O-N 2.84Å; L841-L861 HydrophobicContact CB-CB 4.2Å; L841-L861 HydrophobicContact CD2-CB 4.42Å; L841-L861 PolarHBondContact N-O 2.9Å; L841-L861 PolarHBondContact O-N 2.65Å; L841-W863 HydrophobicContact CB-CZ3 4.2Å; L841-A896 WeakPolarHBondContact CD2-O 3.49Å
842	C	91.3	Very high	85.7	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.9	175	-70.2	0	0	0	0	110.9	I829 L830 F857 K858	I829-C842 CarbonylContact C-O 3.59Å; I829-C842 VanDerWaalsContact CA-O 3.26Å; I829-C842 WeakPolarHBondContact CA-O 3.44Å; L830-C842 HydrophobicContact CB-CB 4.29Å; L830-C842 PolarHBondContact N-O 2.95Å; L830-C842 PolarHBondContact O-N 2.75Å; C842-F857 HydrophobicContact CB-CE1 4.08Å; C842-F857 HydrophobicContact CB-CZ 4Å; C842-K858 CarbonylContact C-O 3.53Å; C842-K858 WeakPolarHBondContact CA-O 3.46Å
843	N	89	Confident	84.5	Confident	47 Å²	47	30.8 Å²	30.8	25%	0.251	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.7	164.5	-175	-20.8	0	0	0	108.7	R828 S845 K858 L860	R828-N843 PolarHBondContact O-OD1 2.97Å; N843-S845 WeakPolarHBondContact OD1-CB 3.34Å; N843-S845 PolarHBondContact OD1-N 3.34Å; N843-S845 PolarHBondContact OD1-OG 3.26Å; N843-K858 PolarHBondContact N-O 2.9Å; N843-K858 PolarHBondContact O-N 2.95Å; N843-L860 HydrophobicContact CB-CD1 4Å; N843-L860 HydrophobicContact CB-CD2 4.11Å; N843-L860 HydrophobicContact CB-CG 4.02Å
844	I	87.6	Confident	83.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.			trans	-115.9	-2.2	-179.8	58.6	163	0	0	0	112.1	L710 R828 L830 S846 F847 L848 F857	L710-I844 HydrophobicContact CD1-CD1 3.65Å; L710-I844 HydrophobicContact CD2-CD1 3.73Å; L710-I844 HydrophobicContact CG-CD1 4.33Å; R828-I844 VanDerWaalsContact C-CG1 3.48Å; R828-I844 WeakPolarHBondContact O-CG1 3.32Å; R828-I844 PolarHBondContact O-N 2.86Å; L830-I844 HydrophobicContact CB-CD1 4.29Å; L830-I844 HydrophobicContact CB-CG1 4.49Å; L830-I844 HydrophobicContact CB-CG2 3.81Å; L830-I844 HydrophobicContact CD2-CG2 4.48Å; I844-S846 PolarHBondContact O-N 2.64Å; I844-F847 WeakPolarHBondContact O-CB 3.34Å; I844-F847 PolarHBondContact O-N 3.29Å; I844-L848 PolarHBondContact O-N 2.84Å; I844-F857 HydrophobicContact CG2-CD2 3.84Å; I844-F857 HydrophobicContact CG2-CE2 3.54Å; I844-F857 HydrophobicContact CG2-CZ 4.32Å
845	S	80.9	Confident	81.9	Confident	37 Å²	37	43.4 Å²	43.4	26%	0.259	24%	0.235	S	C	.	.	H	α-helix	trans	-55.6	-49.5	-167.7	69.6	0	0	0	0	112.1	R712 R828 N843 D849	R712-S845 PolarHBondContact NH1-O 3.28Å; R712-S845 PolarHBondContact NH2-O 2.72Å; R828-S845 PolarHBondContact O-N 2.8Å; N843-S845 WeakPolarHBondContact OD1-CB 3.34Å; N843-S845 PolarHBondContact OD1-N 3.34Å; N843-S845 PolarHBondContact OD1-OG 3.26Å; S845-D849 VanDerWaalsContact O-OD2 3.11Å
846	S	76.4	Confident	81.1	Confident	45 Å²	45	43.2 Å²	43.2	32%	0.315	23%	0.23	S	C	.	.	H	α-helix	trans	-75.5	-20.6	176.6	48.6	0	0	0	0	114.2	I844 D849 K856	I844-S846 PolarHBondContact O-N 2.64Å; S846-D849 PolarHBondContact O-N 3.22Å; S846-K856 WeakPolarHBondContact O-CD 3.41Å; S846-K856 PolarHBondContact OG-O 2.79Å
847	F	81.6	Confident	80.7	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-72.5	-33.5	-174.2	-179.7	-98.2	0	0	0	112.9	L796 L804 K805 I844 D849 H852 K856 F857	L796-F847 HydrophobicContact CD2-CD1 4.17Å; L796-F847 HydrophobicContact CD2-CE1 3.79Å; L804-F847 HydrophobicContact CB-CZ 4.14Å; K805-F847 HydrophobicContact CB-CE2 4.44Å; K805-F847 HydrophobicContact CB-CZ 4.03Å; I844-F847 WeakPolarHBondContact O-CB 3.34Å; I844-F847 PolarHBondContact O-N 3.29Å; F847-D849 VanDerWaalsContact C-N 3.32Å; F847-D849 PolarHBondContact O-N 2.98Å; F847-H852 HydrophobicContact CE2-CB 3.94Å; F847-H852 HydrophobicContact CZ-CB 4.01Å; F847-H852 PolarHBondContact O-ND1 3.25Å; F847-K856 HydrophobicContact CB-CB 4.21Å; F847-F857 HydrophobicContact CB-CB 4.31Å; F847-F857 HydrophobicContact CD1-CD2 4.36Å; F847-F857 HydrophobicContact CD2-CB 3.86Å; F847-F857 HydrophobicContact CE2-CB 4.49Å; F847-F857 HydrophobicContact CG-CB 4.16Å; F847-F857 HydrophobicContact CG-CD2 4.21Å
848	L	77.9	Confident	80.3	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-38.5	176.5	-61	-173.8	0	0	0	111.5	L710 Q781 I784 T827 I844 P850 H852	L710-L848 HydrophobicContact CB-CD2 4.18Å; L710-L848 HydrophobicContact CD1-CD2 4.12Å; Q781-L848 PolarHBondContact OE1-O 3.1Å; I784-L848 HydrophobicContact CD1-CD2 3.88Å; T827-L848 WeakPolarHBondContact OG1-CD1 3.45Å; I844-L848 PolarHBondContact O-N 2.84Å; L848-P850 WeakPolarHBondContact O-CD 3.33Å; L848-H852 PolarHBondContact O-CE1 3.16Å; L848-H852 PolarHBondContact O-ND1 3.28Å
849	D	75.4	Confident	80.1	Confident	52 Å²	52	43.9 Å²	43.9	28%	0.278	23%	0.232	S	C	.	.	S	Bend	trans	-72.1	119.2	-177.9	-56.2	-68.3	0	0	0	111.6	R712 S845 S846 F847 K856	R712-D849 IonicContact CZ-OD2 2.75Å; R712-D849 VanDerWaalsContact NH1-CG 3.28Å; R712-D849 IonicContact NH1-OD1 3.67Å; R712-D849 PolarHBondContact NH1-OD1 3.36Å; R712-D849 IonicContact NH1-OD2 3.94Å; R712-D849 PolarHBondContact NH1-OD2 3.32Å; S845-D849 VanDerWaalsContact O-OD2 3.11Å; S846-D849 PolarHBondContact O-N 3.22Å; F847-D849 VanDerWaalsContact C-N 3.32Å; F847-D849 PolarHBondContact O-N 2.98Å; D849-K856 PolarHBondContact O-NZ 2.84Å
850	P	65.3	Low	79.7	Confident	83 Å²	83	47.4 Å²	47.4	54%	0.539	25%	0.25	S	S	.	.	S	Bend	trans	-67.6	151.2	-174.1	26.2	-34.1	0	0	0	112.6	L848	L848-P850 WeakPolarHBondContact O-CD 3.33Å
851	P	69.9	Low	79.6	Confident	102 Å²	102	47.7 Å²	47.7	66%	0.662	25%	0.252	S	S	*	.	S	Bend	cis	-72.1	146.6	-4.2	30.8	-35.8	0	0	0	112.3	D853 K856	P851-D853 PolarHBondContact O-N 2.97Å; P851-K856 WeakPolarHBondContact O-CE 3.1Å; P851-K856 PolarHBondContact O-NZ 3.13Å
852	H	70.8	Confident	79.4	Confident	70 Å²	70	47.4 Å²	47.4	32%	0.324	25%	0.25	S	S	.	.			trans	-74.5	68.6	176.8	-48.1	-63.3	0	0	0	111.3	F847 L848	F847-H852 HydrophobicContact CE2-CB 3.94Å; F847-H852 HydrophobicContact CZ-CB 4.01Å; F847-H852 PolarHBondContact O-ND1 3.25Å; L848-H852 PolarHBondContact O-CE1 3.16Å; L848-H852 PolarHBondContact O-ND1 3.28Å
853	D	70.4	Confident	79.5	Confident	70 Å²	70	47.5 Å²	47.5	37%	0.374	25%	0.251	S	S	.	.			trans	-70.5	132.5	172.1	175.3	-0.5	0	0	0	109.7	P851 K855 K856	P851-D853 PolarHBondContact O-N 2.97Å; D853-K855 PolarHBondContact O-N 2.73Å; D853-K855 VanDerWaalsContact O-N 3.1Å; D853-K855 WeakPolarHBondContact OD1-CG 3.4Å; D853-K855 PolarHBondContact OD1-N 3.06Å; D853-K856 HydrophobicContact CB-CG 4.18Å; D853-K856 VanDerWaalsContact O-CB 3.31Å; D853-K856 WeakPolarHBondContact O-CB 3.24Å; D853-K856 PolarHBondContact O-N 2.8Å
854	E	66.9	Low	79.6	Confident	114 Å²	114	47.6 Å²	47.6	53%	0.533	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-54.4	-30.2	179	-54	-152.8	136.4	0	0	113.3	K805 K856 F857	K805-E854 HydrophobicContact CD-CB 4.47Å; K805-E854 HydrophobicContact CD-CG 4.16Å; K805-E854 WeakPolarHBondContact CD-OE1 3.5Å; K805-E854 IonicContact NZ-OE1 2.79Å; K805-E854 PolarHBondContact NZ-OE1 2.96Å; K805-E854 IonicContact NZ-OE2 3.92Å; K805-E854 PolarHBondContact NZ-OE2 2.82Å; E854-K856 PolarHBondContact O-N 2.97Å; E854-F857 PolarHBondContact O-N 3.45Å
855	K	67.2	Low	79.7	Confident	151 Å²	151	47.6 Å²	47.6	66%	0.657	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-65.3	-14.3	177.2	-63.9	173.5	-175.9	169.8	0	113.5	D853 K858	D853-K855 PolarHBondContact O-N 2.73Å; D853-K855 VanDerWaalsContact O-N 3.1Å; D853-K855 WeakPolarHBondContact OD1-CG 3.4Å; D853-K855 PolarHBondContact OD1-N 3.06Å; K855-K858 WeakPolarHBondContact O-CE 3.46Å
856	K	75.7	Confident	80.2	Confident	49 Å²	49	45.9 Å²	45.9	21%	0.213	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-86.8	-7.2	177.8	-56.8	-168.1	-169.9	174.2	0	113.6	S846 F847 D849 P851 D853 E854	S846-K856 WeakPolarHBondContact O-CD 3.41Å; S846-K856 PolarHBondContact OG-O 2.79Å; F847-K856 HydrophobicContact CB-CB 4.21Å; D849-K856 PolarHBondContact O-NZ 2.84Å; P851-K856 WeakPolarHBondContact O-CE 3.1Å; P851-K856 PolarHBondContact O-NZ 3.13Å; D853-K856 HydrophobicContact CB-CG 4.18Å; D853-K856 VanDerWaalsContact O-CB 3.31Å; D853-K856 WeakPolarHBondContact O-CB 3.24Å; D853-K856 PolarHBondContact O-N 2.8Å; E854-K856 PolarHBondContact O-N 2.97Å
857	F	82.6	Confident	80.8	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.035	23%	0.234	C	C	.	.			trans	-105.1	110	175.8	-172.3	-76.9	0	0	0	109.9	L796 M807 L830 C842 I844 F847 E854	L796-F857 HydrophobicContact CD1-CD2 4.48Å; L796-F857 HydrophobicContact CD1-CE2 3.84Å; L796-F857 HydrophobicContact CD1-CZ 4.34Å; L796-F857 HydrophobicContact CD2-CD2 4.45Å; L796-F857 HydrophobicContact CD2-CE2 4.06Å; M807-F857 HydrophobicContact CE-CE1 4.42Å; M807-F857 HydrophobicContact CG-CE1 4.07Å; M807-F857 HydrophobicContact SD-CE1 4.17Å; L830-F857 HydrophobicContact CD2-CE2 4.48Å; L830-F857 HydrophobicContact CD2-CZ 4.36Å; C842-F857 HydrophobicContact CB-CE1 4.08Å; C842-F857 HydrophobicContact CB-CZ 4Å; I844-F857 HydrophobicContact CG2-CD2 3.84Å; I844-F857 HydrophobicContact CG2-CE2 3.54Å; I844-F857 HydrophobicContact CG2-CZ 4.32Å; F847-F857 HydrophobicContact CB-CB 4.31Å; F847-F857 HydrophobicContact CD1-CD2 4.36Å; F847-F857 HydrophobicContact CD2-CB 3.86Å; F847-F857 HydrophobicContact CE2-CB 4.49Å; F847-F857 HydrophobicContact CG-CB 4.16Å; F847-F857 HydrophobicContact CG-CD2 4.21Å; E854-F857 PolarHBondContact O-N 3.45Å
858	K	83.6	Confident	81.3	Confident	70 Å²	70	49.9 Å²	49.9	30%	0.304	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110.5	-170.9	-56.8	-165.5	-177.6	-155.2	0	112	C842 N843 K855 L860 E934	C842-K858 CarbonylContact C-O 3.53Å; C842-K858 WeakPolarHBondContact CA-O 3.46Å; N843-K858 PolarHBondContact N-O 2.9Å; N843-K858 PolarHBondContact O-N 2.95Å; K855-K858 WeakPolarHBondContact O-CE 3.46Å; K858-L860 HydrophobicContact CB-CD2 4.26Å; K858-L860 PolarHBondContact O-N 2.89Å; K858-E934 WeakPolarHBondContact CD-OE1 3.49Å; K858-E934 WeakPolarHBondContact CE-OE1 3.31Å; K858-E934 IonicContact NZ-OE1 3.46Å; K858-E934 PolarHBondContact NZ-OE1 2.73Å; K858-E934 IonicContact NZ-OE2 3.64Å; K858-E934 PolarHBondContact NZ-OE2 2.91Å
859	Q	88	Confident	82	Confident	4 Å²	4	53 Å²	53	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	119.4	163.6	-169.2	-175.4	-1.7	0	0	108.1	M807 F810 I840 I932	M807-Q859 HydrophobicContact CE-CB 3.88Å; M807-Q859 HydrophobicContact CE-CG 4.37Å; M807-Q859 VanDerWaalsContact CE-OE1 3.27Å; F810-Q859 PolarHBondContact O-NE2 2.87Å; I840-Q859 HydrophobicContact CG2-CG 4.12Å; Q859-I932 HydrophobicContact CG-CD1 3.76Å
860	L	86.9	Confident	83	Confident	73 Å²	73	50.5 Å²	50.5	38%	0.382	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-46.5	-176.5	-59.5	-175.7	0	0	0	111.5	L841 N843 K858 I932	L841-L860 HydrophobicContact CD2-CB 4.48Å; L841-L860 HydrophobicContact CD2-CD1 4.32Å; L841-L860 HydrophobicContact CG-CB 4.44Å; L841-L860 HydrophobicContact CG-CD1 4.45Å; L841-L860 PolarHBondContact O-N 2.84Å; N843-L860 HydrophobicContact CB-CD1 4Å; N843-L860 HydrophobicContact CB-CD2 4.11Å; N843-L860 HydrophobicContact CB-CG 4.02Å; K858-L860 HydrophobicContact CB-CD2 4.26Å; K858-L860 PolarHBondContact O-N 2.89Å; L860-I932 PolarHBondContact O-N 2.94Å
861	L	89.5	Confident	84.4	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	148.7	-167.1	-163.2	74.6	0	0	0	110.5	L841 W863 P929 I930 E931	L841-L861 HydrophobicContact CB-CB 4.2Å; L841-L861 HydrophobicContact CD2-CB 4.42Å; L841-L861 PolarHBondContact N-O 2.9Å; L841-L861 PolarHBondContact O-N 2.65Å; L861-W863 HydrophobicContact CD2-CD2 4.41Å; L861-W863 HydrophobicContact CD2-CE3 3.57Å; L861-W863 HydrophobicContact CD2-CZ3 3.73Å; L861-W863 HydrophobicContact CG-CE3 3.97Å; L861-W863 HydrophobicContact CG-CZ3 4.34Å; L861-P929 HydrophobicContact CD1-CB 4.17Å; L861-I930 WeakPolarHBondContact CA-O 3.39Å; L861-E931 HydrophobicContact CD1-CG 4.27Å
862	S	90.9	Very high	85.6	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.5	161.5	-173	0	0	0	0	109.8	V839 I930	V839-S862 VanDerWaalsContact O-CA 3.31Å; V839-S862 WeakPolarHBondContact O-CA 3.36Å; V839-S862 PolarHBondContact O-OG 2.96Å; S862-I930 PolarHBondContact N-O 3.46Å; S862-I930 VanDerWaalsContact N-O 3.08Å; S862-I930 PolarHBondContact O-N 3.24Å
863	W	91.9	Very high	86.8	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.7	178.9	72.7	105.1	0	0	0	110.7	L831 H838 V839 L841 L861 V882 W894 P929	L831-W863 HydrophobicContact CD2-CH2 4.31Å; H838-W863 CarbonylContact C-O 3.6Å; H838-W863 VanDerWaalsContact CA-O 3.23Å; H838-W863 WeakPolarHBondContact CA-O 3.46Å; V839-W863 HydrophobicContact CB-CD2 4.01Å; V839-W863 HydrophobicContact CB-CE3 4.06Å; V839-W863 HydrophobicContact CB-CH2 3.8Å; V839-W863 HydrophobicContact CB-CZ2 3.72Å; V839-W863 HydrophobicContact CB-CZ3 3.96Å; V839-W863 HydrophobicContact CG1-CE3 4.34Å; V839-W863 HydrophobicContact CG1-CH2 3.39Å; V839-W863 HydrophobicContact CG1-CZ2 3.71Å; V839-W863 HydrophobicContact CG1-CZ3 3.73Å; V839-W863 HydrophobicContact CG2-CZ2 4.06Å; V839-W863 PolarHBondContact N-O 3.38Å; V839-W863 PolarHBondContact O-N 2.86Å; V839-W863 VanDerWaalsContact O-N 3.11Å; L841-W863 HydrophobicContact CB-CZ3 4.2Å; L861-W863 HydrophobicContact CD2-CD2 4.41Å; L861-W863 HydrophobicContact CD2-CE3 3.57Å; L861-W863 HydrophobicContact CD2-CZ3 3.73Å; L861-W863 HydrophobicContact CG-CE3 3.97Å; L861-W863 HydrophobicContact CG-CZ3 4.34Å; W863-V882 HydrophobicContact CH2-CG2 4.36Å; W863-V882 HydrophobicContact CZ2-CB 4.37Å; W863-V882 HydrophobicContact CZ2-CG1 4.36Å; W863-W894 AromaticContact CD1-CE3 3.69Å; W863-W894 AromaticContact CD1-CZ3 3.91Å; W863-W894 HydrophobicContact CZ2-CB 4.18Å; W863-W894 HydrophobicContact CZ2-CG 4.36Å; W863-W894 AromaticContact NE1-CD2 3.41Å; W863-W894 AromaticContact NE1-CE3 3.39Å; W863-W894 AromaticContact NE1-CG 3.7Å; W863-P929 HydrophobicContact CB-CB 3.87Å; W863-P929 HydrophobicContact CB-CG 3.83Å
864	R	91.4	Very high	88	Confident	49 Å²	49	38.4 Å²	38.4	19%	0.185	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.5	172.9	-168.8	166.2	-171.3	151	7.1	109.2	E836 H866 S867 V925 E927	E836-R864 PolarHBondContact O-NE 3.33Å; E836-R864 PolarHBondContact O-NH2 2.87Å; R864-H866 WeakPolarHBondContact CG-O 3.44Å; R864-H866 PolarHBondContact NE-O 3.08Å; R864-S867 PolarHBondContact NH2-O 3.28Å; R864-V925 HydrophobicContact CB-CG1 4.07Å; R864-V925 HydrophobicContact CG-CG1 4.35Å; R864-V925 WeakPolarHBondContact O-CG1 3.06Å; R864-E927 HydrophobicContact CB-CB 4.06Å; R864-E927 VanDerWaalsContact CD-OE1 3.24Å; R864-E927 WeakPolarHBondContact CD-OE1 3.39Å; R864-E927 IonicContact CZ-OE1 2.72Å; R864-E927 IonicContact NE-OE1 3.92Å; R864-E927 IonicContact NH1-OE1 3.28Å; R864-E927 PolarHBondContact NH1-OE1 3.18Å
865	A	90.6	Very high	89.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.			trans	-89.7	-43.6	177.4	0	0	0	0	0	111.7	G837 V839 I870 T884 R892 W894	G837-A865 PolarHBondContact O-N 3.32Å; V839-A865 HydrophobicContact CG2-CB 3.89Å; A865-I870 HydrophobicContact CB-CD1 4.38Å; A865-T884 HydrophobicContact CB-CG2 4.15Å; A865-R892 VanDerWaalsContact O-CD 3.31Å; A865-R892 WeakPolarHBondContact O-CD 3.32Å; A865-R892 PolarHBondContact O-NH1 2.74Å; A865-W894 HydrophobicContact CB-CD2 4.45Å; A865-W894 HydrophobicContact CB-CH2 4.17Å; A865-W894 HydrophobicContact CB-CZ2 3.5Å; A865-W894 VanDerWaalsContact CB-CZ2 3.5Å; A865-W894 WeakPolarHBondContact O-CH2 3.46Å; A865-W894 WeakPolarHBondContact O-CZ2 2.94Å
866	H	91.6	Very high	90.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.			trans	-124.3	162	-173.1	-69.1	-92.6	0	0	0	112.2	G837 R864 L868 T884 S886 D888 S890 R892	G837-H866 PolarHBondContact O-N 2.82Å; R864-H866 WeakPolarHBondContact CG-O 3.44Å; R864-H866 PolarHBondContact NE-O 3.08Å; H866-L868 WeakPolarHBondContact CB-O 3.17Å; H866-T884 PolarHBondContact CD2-OG1 3.07Å; H866-T884 WeakPolarHBondContact NE2-CB 3.39Å; H866-T884 PolarHBondContact NE2-O 2.94Å; H866-T884 PolarHBondContact NE2-OG1 2.63Å; H866-S886 VanDerWaalsContact CE1-CB 3.48Å; H866-S886 WeakPolarHBondContact CE1-CB 3.38Å; H866-S886 WeakPolarHBondContact ND1-CB 3.13Å; H866-D888 IonicContact CE1-OD1 3.93Å; H866-D888 IonicContact CE1-OD2 2.65Å; H866-D888 IonicContact CG-OD2 3.69Å; H866-D888 IonicContact ND1-OD1 3.32Å; H866-D888 PolarHBondContact ND1-OD1 3.46Å; H866-D888 IonicContact ND1-OD2 2.76Å; H866-D888 PolarHBondContact ND1-OD2 3.45Å; H866-S890 PolarHBondContact CE1-O 3.17Å; H866-S890 PolarHBondContact CE1-OG 3.16Å; H866-S890 PolarHBondContact ND1-OG 3.07Å; H866-R892 VanDerWaalsContact CE1-CD 3.43Å; H866-R892 WeakPolarHBondContact CE1-CD 3.28Å; H866-R892 PolarHBondContact CE1-NE 3.17Å; H866-R892 PolarHBondContact ND1-NE 3.45Å; H866-R892 VanDerWaalsContact ND1-NE 3.19Å
867	S	88.6	Confident	90.9	Very high	41 Å²	41	27.2 Å²	27.2	29%	0.287	13%	0.133	S	C	.	.	S	Bend	trans	-79.3	-29.2	170.7	40.6	0	0	0	0	112.3	R864 D924	R864-S867 PolarHBondContact NH2-O 3.28Å; S867-D924 WeakPolarHBondContact CB-OD2 3.5Å; S867-D924 PolarHBondContact N-OD2 3.36Å; S867-D924 PolarHBondContact OG-OD2 2.82Å
868	L	91.5	Very high	90.9	Very high	90 Å²	90	32.4 Å²	32.4	47%	0.471	16%	0.158	S	C	.	.	S	Bend	trans	-114.1	-178.4	177.2	-55.1	-176.4	0	0	0	112.3	G837 H866 S886 D888	G837-L868 WeakPolarHBondContact CA-O 3.49Å; G837-L868 PolarHBondContact N-O 3.07Å; H866-L868 WeakPolarHBondContact CB-O 3.17Å; L868-S886 PolarHBondContact O-OG 2.81Å; L868-D888 HydrophobicContact CB-CB 4.17Å; L868-D888 HydrophobicContact CD1-CB 4.1Å; L868-D888 HydrophobicContact CG-CB 4.11Å
869	E	94	Very high	90.9	Very high	71 Å²	71	31.6 Å²	31.6	33%	0.332	16%	0.155	S	C	.	.			trans	-51.1	133.2	178.9	171.1	162	-176.3	0	0	113.8	T819 V835 S886 I887	T819-E869 HydrophobicContact CG2-CG 4.04Å; T819-E869 VanDerWaalsContact CG2-OE1 3.32Å; T819-E869 WeakPolarHBondContact CG2-OE1 3.35Å; V835-E869 HydrophobicContact CB-CB 4.48Å; V835-E869 HydrophobicContact CB-CG 4.45Å; V835-E869 HydrophobicContact CG1-CG 4.32Å; E869-S886 VanDerWaalsContact O-CA 3.23Å; E869-S886 WeakPolarHBondContact O-CA 3.47Å; E869-S886 WeakPolarHBondContact O-CB 3.44Å; E869-S886 PolarHBondContact O-OG 2.89Å; E869-I887 HydrophobicContact CB-CD1 3.91Å; E869-I887 HydrophobicContact CB-CG1 4.22Å; E869-I887 HydrophobicContact CG-CD1 3.9Å; E869-I887 HydrophobicContact CG-CG1 4.35Å; E869-I887 PolarHBondContact O-N 3.27Å; E869-I887 VanDerWaalsContact O-N 3.13Å
870	I	96.2	Very high	91	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.7	170.3	-73	155.5	0	0	0	108.9	T819 N834 G837 H838 V839 A865 V873 A885	T819-I870 VanDerWaalsContact CB-O 3.28Å; T819-I870 WeakPolarHBondContact CB-O 3.25Å; T819-I870 PolarHBondContact OG1-O 2.86Å; N834-I870 PolarHBondContact O-N 3.17Å; G837-I870 VanDerWaalsContact C-CD1 3.42Å; H838-I870 WeakPolarHBondContact O-CD1 3.29Å; V839-I870 HydrophobicContact CG2-CD1 3.79Å; A865-I870 HydrophobicContact CB-CD1 4.38Å; I870-V873 HydrophobicContact CG2-CG2 3.63Å; I870-A885 WeakPolarHBondContact CA-O 3.05Å
871	I	94.8	Very high	91.2	Very high	41 Å²	41	31.4 Å²	31.4	21%	0.21	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-42.8	173.3	-54.3	130.3	0	0	0	109.7	I458 S820 A885 I887	I458-I871 HydrophobicContact CB-CD1 3.71Å; I458-I871 HydrophobicContact CG2-CD1 3.97Å; I458-I871 WeakPolarHBondContact O-CD1 3.28Å; S820-I871 VanDerWaalsContact CB-O 3.28Å; S820-I871 WeakPolarHBondContact CB-O 3.36Å; S820-I871 PolarHBondContact OG-O 3.22Å; I871-A885 PolarHBondContact N-O 2.91Å; I871-I887 HydrophobicContact CD1-CG1 4.16Å; I871-I887 HydrophobicContact CG1-CG1 3.87Å
872	Q	94.6	Very high	91.5	Very high	25 Å²	25	31.1 Å²	31.1	12%	0.117	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	143.9	-170.5	-162	167.1	-9.5	0	0	112.5	M461 A885	M461-Q872 HydrophobicContact CB-CB 4.48Å; M461-Q872 HydrophobicContact CE-CB 4.21Å; M461-Q872 HydrophobicContact CE-CG 4.43Å; M461-Q872 WeakPolarHBondContact CE-O 3.49Å; M461-Q872 PolarHBondContact O-NE2 2.76Å; M461-Q872 PolarHBondContact O-OE1 2.93Å; Q872-A885 PolarHBondContact O-N 2.81Å
873	V	96.5	Very high	91.7	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.5	174.9	-172.7	0	0	0	0	108.5	Y822 L831 V839 I870 V882 I883 T884	Y822-V873 WeakPolarHBondContact CB-O 3.37Å; Y822-V873 WeakPolarHBondContact CD2-O 3.29Å; L831-V873 HydrophobicContact CB-CG1 4.03Å; L831-V873 HydrophobicContact CD1-CG1 3.86Å; L831-V873 HydrophobicContact CG-CG1 4.42Å; V839-V873 HydrophobicContact CG1-CG1 4.34Å; V839-V873 HydrophobicContact CG2-CG2 4.49Å; I870-V873 HydrophobicContact CG2-CG2 3.63Å; V873-V882 HydrophobicContact CG1-CG1 3.44Å; V873-V882 VanDerWaalsContact CG1-CG1 3.44Å; V873-I883 WeakPolarHBondContact CA-O 3.1Å; V873-T884 HydrophobicContact CG1-CG2 4.36Å; V873-T884 HydrophobicContact CG2-CG2 4.42Å
874	I	95.4	Very high	92	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.1	174.6	-62.3	175.6	0	0	0	108.2	M461 Y463 Y822 V882 I883	M461-I874 HydrophobicContact CE-CB 4.45Å; M461-I874 HydrophobicContact CE-CD1 4Å; M461-I874 HydrophobicContact CE-CG1 3.97Å; M461-I874 HydrophobicContact CG-CD1 4.16Å; Y463-I874 HydrophobicContact CD1-CG2 4.39Å; Y463-I874 HydrophobicContact CG-CG2 4.38Å; Y822-I874 HydrophobicContact CD2-CG1 4.33Å; Y822-I874 HydrophobicContact CE1-CG2 4.3Å; Y822-I874 HydrophobicContact CE2-CB 4.32Å; Y822-I874 HydrophobicContact CE2-CG1 4.13Å; Y822-I874 HydrophobicContact CE2-CG2 4.09Å; I874-V882 CarbonylContact O-C 3.59Å; I874-V882 WeakPolarHBondContact O-CA 3.49Å; I874-I883 HydrophobicContact CB-CB 4.5Å; I874-I883 PolarHBondContact N-O 2.73Å; I874-I883 PolarHBondContact O-N 3.35Å
875	Y	93.9	Very high	92.2	Very high	24 Å²	24	28.4 Å²	28.4	9%	0.094	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.7	171.1	169.7	-116.2	0	0	0	111	Y822 D824 I829 E877 Q880 V881 V882 A896	Y822-Y875 VanDerWaalsContact CD1-N 3.32Å; D824-Y875 HydrophobicContact CB-CD1 3.9Å; D824-Y875 HydrophobicContact CB-CE1 3.81Å; I829-Y875 HydrophobicContact CD1-CD1 3.67Å; I829-Y875 HydrophobicContact CD1-CD2 4Å; I829-Y875 HydrophobicContact CD1-CE1 3.7Å; I829-Y875 HydrophobicContact CD1-CE2 4.05Å; I829-Y875 HydrophobicContact CD1-CG 3.79Å; I829-Y875 HydrophobicContact CG1-CD1 4.38Å; I829-Y875 HydrophobicContact CG1-CE1 4.35Å; Y875-E877 HydrophobicContact CD1-CB 4.15Å; Y875-E877 HydrophobicContact CE1-CB 3.61Å; Y875-E877 HydrophobicContact CE1-CG 3.87Å; Y875-Q880 PolarHBondContact OH-NE2 2.85Å; Y875-V881 WeakPolarHBondContact CD2-O 3.34Å; Y875-V882 HydrophobicContact CD2-CG2 4.2Å; Y875-A896 HydrophobicContact CD2-CB 3.94Å; Y875-A896 HydrophobicContact CE2-CB 3.63Å
876	V	91.4	Very high	92.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	97	173.8	-173.2	0	0	0	0	108.7	Y463 L484 E878 K879 Q880 V881 I883	Y463-V876 HydrophobicContact CD1-CG2 3.93Å; Y463-V876 HydrophobicContact CD2-CG2 4.43Å; Y463-V876 HydrophobicContact CE1-CB 4.36Å; Y463-V876 HydrophobicContact CE1-CG1 3.83Å; Y463-V876 HydrophobicContact CE1-CG2 3.75Å; Y463-V876 HydrophobicContact CE2-CG2 4.27Å; Y463-V876 HydrophobicContact CG-CG2 4.27Å; L484-V876 HydrophobicContact CD2-CB 4.31Å; L484-V876 HydrophobicContact CD2-CG1 3.86Å; L484-V876 HydrophobicContact CD2-CG2 3.99Å; V876-E878 VanDerWaalsContact C-N 3.33Å; V876-E878 PolarHBondContact O-N 2.77Å; V876-K879 HydrophobicContact CG1-CB 4.46Å; V876-K879 HydrophobicContact CG1-CG 4.24Å; V876-K879 PolarHBondContact O-N 3Å; V876-Q880 PolarHBondContact O-N 2.77Å; V876-V881 HydrophobicContact CB-CG2 3.89Å; V876-V881 HydrophobicContact CG2-CG2 4.33Å; V876-V881 PolarHBondContact N-O 3.13Å; V876-V881 PolarHBondContact O-N 2.81Å; V876-I883 HydrophobicContact CG2-CD1 3.7Å; V876-I883 HydrophobicContact CG2-CG1 4.23Å
877	E	85.2	Confident	92.6	Very high	52 Å²	52	30.7 Å²	30.7	24%	0.243	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-58.4	-41.4	-173.3	-172.4	165.3	-163.2	0	0	112.9	S825 R828 Y875 K879 Q880	S825-E877 PolarHBondContact OG-OE2 2.97Å; R828-E877 IonicContact CZ-OE1 3.4Å; R828-E877 IonicContact NE-OE1 3.88Å; R828-E877 IonicContact NH2-OE1 3.39Å; R828-E877 PolarHBondContact NH2-OE1 3.42Å; Y875-E877 HydrophobicContact CD1-CB 4.15Å; Y875-E877 HydrophobicContact CE1-CB 3.61Å; Y875-E877 HydrophobicContact CE1-CG 3.87Å; E877-K879 VanDerWaalsContact C-N 3.33Å; E877-K879 PolarHBondContact O-N 2.78Å; E877-Q880 PolarHBondContact O-N 2.87Å; E877-Q880 PolarHBondContact O-NE2 2.79Å
878	E	82.4	Confident	92.6	Very high	118 Å²	118	29.4 Å²	29.4	55%	0.551	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-62	-34.9	-178.3	-63.9	158.2	176.7	0	0	113.8	H468 V876	H468-E878 IonicContact CE1-OE2 3.78Å; H468-E878 PolarHBondContact CE1-OE2 2.92Å; H468-E878 VanDerWaalsContact CE1-OE2 3.3Å; H468-E878 IonicContact ND1-OE2 2.82Å; V876-E878 VanDerWaalsContact C-N 3.33Å; V876-E878 PolarHBondContact O-N 2.77Å
879	K	83.8	Confident	92.5	Very high	53 Å²	53	25.1 Å²	25.1	23%	0.23	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-108.8	1.6	-177.2	-44.2	-59.4	-175.5	-166.7	0	112.6	D54 L484 E485 V876 E877 V881	D54-K879 IonicContact OD2-NZ 3.57Å; L484-K879 HydrophobicContact CD2-CG 4.45Å; E485-K879 WeakPolarHBondContact OE1-CE 3.23Å; E485-K879 IonicContact OE1-NZ 2.75Å; V876-K879 HydrophobicContact CG1-CB 4.46Å; V876-K879 HydrophobicContact CG1-CG 4.24Å; V876-K879 PolarHBondContact O-N 3Å; E877-K879 VanDerWaalsContact C-N 3.33Å; E877-K879 PolarHBondContact O-N 2.78Å; K879-V881 VanDerWaalsContact C-N 3.31Å; K879-V881 HydrophobicContact CB-CG2 4.11Å; K879-V881 PolarHBondContact O-N 2.95Å
880	Q	88.9	Confident	92.4	Very high	72 Å²	72	21.7 Å²	21.7	34%	0.336	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	38.6	-179.5	-65.9	-67.6	-60.9	0	0	114.4	Y875 V876 E877 A896	Y875-Q880 PolarHBondContact OH-NE2 2.85Å; V876-Q880 PolarHBondContact O-N 2.77Å; E877-Q880 PolarHBondContact O-N 2.87Å; E877-Q880 PolarHBondContact O-NE2 2.79Å; Q880-A896 WeakPolarHBondContact O-CB 3.31Å; Q880-A896 PolarHBondContact O-N 3.01Å
881	V	92.5	Very high	92.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155.3	-179.1	-67.9	0	0	0	0	112.8	Y875 V876 K879 L893 W894 L913	Y875-V881 WeakPolarHBondContact CD2-O 3.34Å; V876-V881 HydrophobicContact CB-CG2 3.89Å; V876-V881 HydrophobicContact CG2-CG2 4.33Å; V876-V881 PolarHBondContact N-O 3.13Å; V876-V881 PolarHBondContact O-N 2.81Å; K879-V881 VanDerWaalsContact C-N 3.31Å; K879-V881 HydrophobicContact CB-CG2 4.11Å; K879-V881 PolarHBondContact O-N 2.95Å; V881-L893 HydrophobicContact CB-CD1 3.9Å; V881-L893 HydrophobicContact CB-CG 4.39Å; V881-L893 HydrophobicContact CG1-CD1 4.48Å; V881-L893 HydrophobicContact CG1-CG 4.49Å; V881-L893 HydrophobicContact CG2-CD1 3.85Å; V881-W894 CarbonylContact C-O 3.59Å; V881-W894 WeakPolarHBondContact CA-O 3.28Å; V881-W894 VanDerWaalsContact CB-O 3.26Å; V881-W894 WeakPolarHBondContact CB-O 3.45Å; V881-L913 HydrophobicContact CG1-CD2 4.26Å
882	V	95.1	Very high	92.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.3	170.3	177.5	0	0	0	0	108.4	L831 W863 V873 I874 Y875 T884 W894 A896	L831-V882 HydrophobicContact CD1-CG1 4.09Å; L831-V882 HydrophobicContact CD1-CG2 3.75Å; L831-V882 HydrophobicContact CD2-CG2 4.4Å; W863-V882 HydrophobicContact CH2-CG2 4.36Å; W863-V882 HydrophobicContact CZ2-CB 4.37Å; W863-V882 HydrophobicContact CZ2-CG1 4.36Å; V873-V882 HydrophobicContact CG1-CG1 3.44Å; V873-V882 VanDerWaalsContact CG1-CG1 3.44Å; I874-V882 CarbonylContact O-C 3.59Å; I874-V882 WeakPolarHBondContact O-CA 3.49Å; Y875-V882 HydrophobicContact CD2-CG2 4.2Å; V882-T884 HydrophobicContact CG1-CG2 4.1Å; V882-W894 HydrophobicContact CB-CB 4.42Å; V882-W894 PolarHBondContact N-O 2.91Å; V882-W894 PolarHBondContact O-N 2.87Å; V882-A896 HydrophobicContact CG2-CB 3.84Å
883	I	96.3	Very high	92.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135	173	-46.4	166.5	0	0	0	107.6	M461 Y463 V470 L484 V873 I874 V876 V891 R892 L893 F905	M461-I883 HydrophobicContact CE-CB 4.34Å; M461-I883 HydrophobicContact CE-CG2 4.1Å; M461-I883 HydrophobicContact SD-CB 4.28Å; M461-I883 HydrophobicContact SD-CG2 3.45Å; M461-I883 WeakPolarHBondContact SD-CG2 3.29Å; Y463-I883 HydrophobicContact CD2-CD1 4.29Å; Y463-I883 HydrophobicContact CG-CD1 4.47Å; V470-I883 HydrophobicContact CG2-CD1 3.83Å; L484-I883 HydrophobicContact CD1-CD1 3.98Å; L484-I883 HydrophobicContact CD1-CG1 4.36Å; V873-I883 WeakPolarHBondContact CA-O 3.1Å; I874-I883 HydrophobicContact CB-CB 4.5Å; I874-I883 PolarHBondContact N-O 2.73Å; I874-I883 PolarHBondContact O-N 3.35Å; V876-I883 HydrophobicContact CG2-CD1 3.7Å; V876-I883 HydrophobicContact CG2-CG1 4.23Å; I883-V891 HydrophobicContact CG2-CG1 3.49Å; I883-V891 VanDerWaalsContact CG2-CG1 3.49Å; I883-R892 WeakPolarHBondContact CA-O 3.3Å; I883-L893 HydrophobicContact CG1-CD1 3.76Å; I883-F905 HydrophobicContact CG2-CE2 3.91Å
884	T	96.8	Very high	91.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137	177.6	58.9	0	0	0	0	111	V839 A865 H866 V873 V882 V891 R892 W894	V839-T884 HydrophobicContact CG2-CG2 3.6Å; A865-T884 HydrophobicContact CB-CG2 4.15Å; H866-T884 PolarHBondContact CD2-OG1 3.07Å; H866-T884 WeakPolarHBondContact NE2-CB 3.39Å; H866-T884 PolarHBondContact NE2-O 2.94Å; H866-T884 PolarHBondContact NE2-OG1 2.63Å; V873-T884 HydrophobicContact CG1-CG2 4.36Å; V873-T884 HydrophobicContact CG2-CG2 4.42Å; V882-T884 HydrophobicContact CG1-CG2 4.1Å; T884-V891 CarbonylContact O-C 3.59Å; T884-V891 VanDerWaalsContact O-CA 3.27Å; T884-V891 WeakPolarHBondContact O-CA 3.06Å; T884-V891 WeakPolarHBondContact O-CG1 3.06Å; T884-R892 PolarHBondContact N-O 3.17Å; T884-R892 PolarHBondContact O-N 3.4Å; T884-W894 PolarHBondContact OG1-NE1 2.93Å
885	A	96.6	Very high	91.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143	172.2	0	0	0	0	0	110.9	I458 M461 I870 I871 Q872 V891	I458-A885 HydrophobicContact CD1-CB 4.47Å; I458-A885 HydrophobicContact CG2-CB 4.11Å; M461-A885 HydrophobicContact CB-CB 3.82Å; M461-A885 HydrophobicContact CE-CB 3.94Å; M461-A885 HydrophobicContact CG-CB 4.36Å; M461-A885 HydrophobicContact SD-CB 3.74Å; I870-A885 WeakPolarHBondContact CA-O 3.05Å; I871-A885 PolarHBondContact N-O 2.91Å; Q872-A885 PolarHBondContact O-N 2.81Å; A885-V891 HydrophobicContact CB-CG2 3.9Å
886	S	95.5	Very high	91.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	158.4	-176.8	176.5	0	0	0	0	113.6	H866 L868 E869 D888 G889 S890	H866-S886 VanDerWaalsContact CE1-CB 3.48Å; H866-S886 WeakPolarHBondContact CE1-CB 3.38Å; H866-S886 WeakPolarHBondContact ND1-CB 3.13Å; L868-S886 PolarHBondContact O-OG 2.81Å; E869-S886 VanDerWaalsContact O-CA 3.23Å; E869-S886 WeakPolarHBondContact O-CA 3.47Å; E869-S886 WeakPolarHBondContact O-CB 3.44Å; E869-S886 PolarHBondContact O-OG 2.89Å; S886-D888 WeakPolarHBondContact CB-OD1 3.39Å; S886-D888 PolarHBondContact O-N 3.03Å; S886-D888 VanDerWaalsContact O-N 3.12Å; S886-D888 PolarHBondContact OG-N 2.77Å; S886-D888 VanDerWaalsContact OG-N 3.15Å; S886-G889 PolarHBondContact O-N 3.08Å; S886-G889 VanDerWaalsContact O-N 3.1Å; S886-S890 PolarHBondContact N-O 3.19Å
887	I	94	Very high	90.8	Very high	47 Å²	47	23.6 Å²	23.6	24%	0.241	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.1	168.6	-55.3	-170.9	0	0	0	110.9	E457 E869 I871 G889	E457-I887 WeakPolarHBondContact CA-O 3.42Å; E457-I887 HydrophobicContact CB-CG2 3.96Å; E457-I887 VanDerWaalsContact CD-CG2 3.48Å; E457-I887 HydrophobicContact CG-CG2 3.77Å; E457-I887 WeakPolarHBondContact CG-O 3.12Å; E869-I887 HydrophobicContact CB-CD1 3.91Å; E869-I887 HydrophobicContact CB-CG1 4.22Å; E869-I887 HydrophobicContact CG-CD1 3.9Å; E869-I887 HydrophobicContact CG-CG1 4.35Å; E869-I887 PolarHBondContact O-N 3.27Å; E869-I887 VanDerWaalsContact O-N 3.13Å; I871-I887 HydrophobicContact CD1-CG1 4.16Å; I871-I887 HydrophobicContact CG1-CG1 3.87Å; I887-G889 PolarHBondContact O-N 3.46Å; I887-G889 VanDerWaalsContact O-N 3.1Å
888	D	89.3	Confident	90.7	Very high	14 Å²	14	23.3 Å²	23.3	8%	0.075	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-6	170.8	77.6	4.8	0	0	0	115.5	H452 H866 L868 S886 S890 R892	H452-D888 PolarHBondContact CE1-O 3.19Å; H452-D888 PolarHBondContact ND1-O 3.47Å; H866-D888 IonicContact CE1-OD1 3.93Å; H866-D888 IonicContact CE1-OD2 2.65Å; H866-D888 IonicContact CG-OD2 3.69Å; H866-D888 IonicContact ND1-OD1 3.32Å; H866-D888 PolarHBondContact ND1-OD1 3.46Å; H866-D888 IonicContact ND1-OD2 2.76Å; H866-D888 PolarHBondContact ND1-OD2 3.45Å; L868-D888 HydrophobicContact CB-CB 4.17Å; L868-D888 HydrophobicContact CD1-CB 4.1Å; L868-D888 HydrophobicContact CG-CB 4.11Å; S886-D888 WeakPolarHBondContact CB-OD1 3.39Å; S886-D888 PolarHBondContact O-N 3.03Å; S886-D888 VanDerWaalsContact O-N 3.12Å; S886-D888 PolarHBondContact OG-N 2.77Å; S886-D888 VanDerWaalsContact OG-N 3.15Å; D888-S890 VanDerWaalsContact CG-OG 3.24Å; D888-S890 WeakPolarHBondContact OD1-CA 3.33Å; D888-S890 VanDerWaalsContact OD1-CB 3.28Å; D888-S890 WeakPolarHBondContact OD1-CB 3.44Å; D888-S890 PolarHBondContact OD1-N 3.13Å; D888-S890 PolarHBondContact OD1-OG 2.82Å; D888-S890 PolarHBondContact OD2-OG 2.9Å; D888-R892 IonicContact OD2-CZ 2.66Å; D888-R892 IonicContact OD2-NE 3.21Å; D888-R892 IonicContact OD2-NH2 3.69Å; D888-R892 PolarHBondContact OD2-NH2 2.83Å
889	G	89.3	Confident	90.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	86.2	5	178.4	0	0	0	0	0	114.3	T453 H454 R456 S886 I887	T453-G889 PolarHBondContact N-O 2.69Å; H454-G889 PolarHBondContact N-O 3.3Å; R456-G889 VanDerWaalsContact O-CA 3.29Å; R456-G889 WeakPolarHBondContact O-CA 3.34Å; S886-G889 PolarHBondContact O-N 3.08Å; S886-G889 VanDerWaalsContact O-N 3.1Å; I887-G889 PolarHBondContact O-N 3.46Å; I887-G889 VanDerWaalsContact O-N 3.1Å
890	S	91.6	Very high	90.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.			trans	-111.1	148.2	-179.3	76.4	0	0	0	0	113.4	P451 I458 H866 S886 D888 R892	P451-S890 VanDerWaalsContact O-CB 3.23Å; P451-S890 WeakPolarHBondContact O-CB 3.29Å; I458-S890 WeakPolarHBondContact CD1-O 3.19Å; H866-S890 PolarHBondContact CE1-O 3.17Å; H866-S890 PolarHBondContact CE1-OG 3.16Å; H866-S890 PolarHBondContact ND1-OG 3.07Å; S886-S890 PolarHBondContact N-O 3.19Å; D888-S890 VanDerWaalsContact CG-OG 3.24Å; D888-S890 WeakPolarHBondContact OD1-CA 3.33Å; D888-S890 VanDerWaalsContact OD1-CB 3.28Å; D888-S890 WeakPolarHBondContact OD1-CB 3.44Å; D888-S890 PolarHBondContact OD1-N 3.13Å; D888-S890 PolarHBondContact OD1-OG 2.82Å; D888-S890 PolarHBondContact OD2-OG 2.9Å; S890-R892 PolarHBondContact OG-NE 3.13Å
891	V	94.9	Very high	90.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.3	161.5	-176	0	0	0	0	108.6	T453 I458 M461 T472 I883 T884 A885 Y904 F905	T453-V891 HydrophobicContact CG2-CB 4.27Å; T453-V891 HydrophobicContact CG2-CG2 4.25Å; T453-V891 PolarHBondContact OG1-N 3.12Å; I458-V891 HydrophobicContact CD1-CG2 3.54Å; M461-V891 HydrophobicContact SD-CG1 3.55Å; M461-V891 VanDerWaalsContact SD-CG1 3.55Å; M461-V891 HydrophobicContact SD-CG2 4.43Å; T472-V891 HydrophobicContact CG2-CG2 3.69Å; I883-V891 HydrophobicContact CG2-CG1 3.49Å; I883-V891 VanDerWaalsContact CG2-CG1 3.49Å; T884-V891 CarbonylContact O-C 3.59Å; T884-V891 VanDerWaalsContact O-CA 3.27Å; T884-V891 WeakPolarHBondContact O-CA 3.06Å; T884-V891 WeakPolarHBondContact O-CG1 3.06Å; A885-V891 HydrophobicContact CB-CG2 3.9Å; V891-Y904 CarbonylContact O-C 3.58Å; V891-Y904 VanDerWaalsContact O-CA 3.23Å; V891-Y904 WeakPolarHBondContact O-CA 3.48Å; V891-Y904 WeakPolarHBondContact O-CB 3.16Å; V891-F905 HydrophobicContact CB-CB 4.45Å; V891-F905 HydrophobicContact CB-CD2 3.87Å; V891-F905 HydrophobicContact CG1-CD2 3.54Å; V891-F905 HydrophobicContact CG1-CE2 3.9Å; V891-F905 HydrophobicContact CG1-CG 4.48Å; V891-F905 PolarHBondContact O-N 2.94Å
892	R	92.1	Very high	90.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.7	-170.6	-63	178.6	-165.9	-155.5	1.1	110.8	A865 H866 I883 T884 D888 S890 W894 Y901 G903 D924	A865-R892 VanDerWaalsContact O-CD 3.31Å; A865-R892 WeakPolarHBondContact O-CD 3.32Å; A865-R892 PolarHBondContact O-NH1 2.74Å; H866-R892 VanDerWaalsContact CE1-CD 3.43Å; H866-R892 WeakPolarHBondContact CE1-CD 3.28Å; H866-R892 PolarHBondContact CE1-NE 3.17Å; H866-R892 PolarHBondContact ND1-NE 3.45Å; H866-R892 VanDerWaalsContact ND1-NE 3.19Å; I883-R892 WeakPolarHBondContact CA-O 3.3Å; T884-R892 PolarHBondContact N-O 3.17Å; T884-R892 PolarHBondContact O-N 3.4Å; D888-R892 IonicContact OD2-CZ 2.66Å; D888-R892 IonicContact OD2-NE 3.21Å; D888-R892 IonicContact OD2-NH2 3.69Å; D888-R892 PolarHBondContact OD2-NH2 2.83Å; S890-R892 PolarHBondContact OG-NE 3.13Å; R892-W894 HydrophobicContact CB-CZ2 3.78Å; R892-W894 HydrophobicContact CG-CZ2 4.39Å; R892-Y901 HydrophobicContact CB-CE2 4.07Å; R892-Y901 HydrophobicContact CG-CE2 4.18Å; R892-G903 WeakPolarHBondContact CA-O 2.84Å; R892-D924 IonicContact CZ-OD1 2.77Å; R892-D924 IonicContact CZ-OD2 3.18Å; R892-D924 IonicContact NH1-OD1 2.7Å; R892-D924 PolarHBondContact NH1-OD1 3.18Å; R892-D924 IonicContact NH1-OD2 3.74Å; R892-D924 PolarHBondContact NH1-OD2 3.18Å; R892-D924 IonicContact NH2-OD1 2.71Å; R892-D924 PolarHBondContact NH2-OD1 3.38Å; R892-D924 IonicContact NH2-OD2 3.09Å; R892-D924 PolarHBondContact NH2-OD2 3.37Å
893	L	91.9	Very high	89.6	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.3	-178.7	-167.9	68.3	0	0	0	110.6	L484 V881 I883 C902 G903 F905 F911 L913	L484-L893 HydrophobicContact CD1-CD1 4.02Å; V881-L893 HydrophobicContact CB-CD1 3.9Å; V881-L893 HydrophobicContact CB-CG 4.39Å; V881-L893 HydrophobicContact CG1-CD1 4.48Å; V881-L893 HydrophobicContact CG1-CG 4.49Å; V881-L893 HydrophobicContact CG2-CD1 3.85Å; I883-L893 HydrophobicContact CG1-CD1 3.76Å; L893-C902 HydrophobicContact CB-CB 4.09Å; L893-C902 HydrophobicContact CD2-CB 4.11Å; L893-C902 HydrophobicContact CG-CB 4.02Å; L893-C902 WeakPolarHBondContact O-CB 3.49Å; L893-C902 PolarHBondContact O-N 3.46Å; L893-G903 PolarHBondContact N-O 3.32Å; L893-F905 HydrophobicContact CB-CE2 4.46Å; L893-F911 HydrophobicContact CB-CE1 4.45Å; L893-F911 HydrophobicContact CD2-CB 4.24Å; L893-F911 HydrophobicContact CD2-CD1 4.08Å; L893-F911 HydrophobicContact CD2-CD2 3.58Å; L893-F911 HydrophobicContact CD2-CE1 4.3Å; L893-F911 HydrophobicContact CD2-CE2 3.79Å; L893-F911 HydrophobicContact CD2-CG 3.72Å; L893-F911 HydrophobicContact CD2-CZ 4.15Å; L893-L913 HydrophobicContact CD2-CD2 3.69Å
894	W	91.1	Very high	89.2	Confident	1 Å²	1	17.4 Å²	17.4	0%	0.004	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.7	-172.9	-49.5	86.6	0	0	0	111.4	W863 A865 V881 V882 T884 R892 H900 Y901 C902 P922	W863-W894 AromaticContact CD1-CE3 3.69Å; W863-W894 AromaticContact CD1-CZ3 3.91Å; W863-W894 HydrophobicContact CZ2-CB 4.18Å; W863-W894 HydrophobicContact CZ2-CG 4.36Å; W863-W894 AromaticContact NE1-CD2 3.41Å; W863-W894 AromaticContact NE1-CE3 3.39Å; W863-W894 AromaticContact NE1-CG 3.7Å; A865-W894 HydrophobicContact CB-CD2 4.45Å; A865-W894 HydrophobicContact CB-CH2 4.17Å; A865-W894 HydrophobicContact CB-CZ2 3.5Å; A865-W894 VanDerWaalsContact CB-CZ2 3.5Å; A865-W894 WeakPolarHBondContact O-CH2 3.46Å; A865-W894 WeakPolarHBondContact O-CZ2 2.94Å; V881-W894 CarbonylContact C-O 3.59Å; V881-W894 WeakPolarHBondContact CA-O 3.28Å; V881-W894 VanDerWaalsContact CB-O 3.26Å; V881-W894 WeakPolarHBondContact CB-O 3.45Å; V882-W894 HydrophobicContact CB-CB 4.42Å; V882-W894 PolarHBondContact N-O 2.91Å; V882-W894 PolarHBondContact O-N 2.87Å; T884-W894 PolarHBondContact OG1-NE1 2.93Å; R892-W894 HydrophobicContact CB-CZ2 3.78Å; R892-W894 HydrophobicContact CG-CZ2 4.39Å; W894-H900 CarbonylContact C-O 3.53Å; W894-H900 VanDerWaalsContact CA-O 3.28Å; W894-H900 WeakPolarHBondContact CA-O 3.29Å; W894-Y901 HydrophobicContact CD2-CD2 4.22Å; W894-Y901 HydrophobicContact CE3-CD2 4.03Å; W894-Y901 HydrophobicContact CE3-CG 4.5Å; W894-Y901 AromaticContact CH2-CD2 3.51Å; W894-Y901 HydrophobicContact CH2-CD2 3.51Å; W894-Y901 HydrophobicContact CH2-CE2 4.25Å; W894-Y901 HydrophobicContact CH2-CG 4.19Å; W894-Y901 AromaticContact CZ2-CD2 3.7Å; W894-Y901 HydrophobicContact CZ2-CD2 3.7Å; W894-Y901 HydrophobicContact CZ2-CE2 4.13Å; W894-Y901 AromaticContact CZ3-CD2 3.71Å; W894-Y901 HydrophobicContact CZ3-CD2 3.71Å; W894-Y901 HydrophobicContact CZ3-CG 4.07Å; W894-C902 VanDerWaalsContact C-SG 3.59Å; W894-P922 HydrophobicContact CH2-CG 3.73Å; W894-P922 HydrophobicContact CZ2-CG 4.45Å
895	H	89.3	Confident	88.8	Confident	17 Å²	17	17.4 Å²	17.4	8%	0.079	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.4	167.5	-78.1	-48.1	0	0	0	110.8	L897 N898 G899 H900 C902 L913	H895-L897 PolarHBondContact O-N 3.35Å; H895-N898 WeakPolarHBondContact CB-OD1 3.4Å; H895-G899 WeakPolarHBondContact O-CA 3.35Å; H895-G899 PolarHBondContact O-N 2.98Å; H895-H900 HydrophobicContact CB-CB 4.44Å; H895-H900 PolarHBondContact N-O 2.78Å; H895-C902 PolarHBondContact N-SG 2.92Å; H895-C902 VanDerWaalsContact N-SG 3.45Å; H895-L913 PolarHBondContact CE1-O 2.96Å
896	A	87.9	Confident	87.8	Confident	3 Å²	3	19.2 Å²	19.2	3%	0.025	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-35	-171.6	0	0	0	0	0	113.8	L841 Y875 Q880 V882	L841-A896 WeakPolarHBondContact CD2-O 3.49Å; Y875-A896 HydrophobicContact CD2-CB 3.94Å; Y875-A896 HydrophobicContact CE2-CB 3.63Å; Q880-A896 WeakPolarHBondContact O-CB 3.31Å; Q880-A896 PolarHBondContact O-N 3.01Å; V882-A896 HydrophobicContact CG2-CB 3.84Å
897	L	82.7	Confident	86.8	Confident	116 Å²	116	19.5 Å²	19.5	61%	0.607	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-22.6	-171.8	-61.2	176.2	0	0	0	114.1	H895	H895-L897 PolarHBondContact O-N 3.35Å
898	N	83.6	Confident	85.1	Confident	46 Å²	46	27.1 Å²	27.1	25%	0.246	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-7.1	-171.8	62.5	11.8	0	0	0	114.5	H895 H900 P929	H895-N898 WeakPolarHBondContact CB-OD1 3.4Å; N898-H900 VanDerWaalsContact CG-CG 3.45Å; N898-H900 PolarHBondContact ND2-ND1 3.28Å; N898-H900 PolarHBondContact O-N 3.28Å; N898-H900 WeakPolarHBondContact OD1-CB 3.5Å; N898-H900 PolarHBondContact OD1-CD2 2.88Å; N898-H900 PolarHBondContact OD1-N 3.16Å; N898-P929 VanDerWaalsContact O-CB 3.31Å; N898-P929 WeakPolarHBondContact O-CB 3.33Å; N898-P929 WeakPolarHBondContact O-CG 3.22Å
899	G	84.1	Confident	83.7	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.01	14%	0.138	C	C	.	.			trans	68.8	19.9	-179.9	0	0	0	0	0	113.8	H895 P929	H895-G899 WeakPolarHBondContact O-CA 3.35Å; H895-G899 PolarHBondContact O-N 2.98Å; G899-P929 WeakPolarHBondContact O-CG 3.32Å
900	H	84.8	Confident	82.4	Confident	46 Å²	46	32.5 Å²	32.5	21%	0.213	16%	0.159	C	C	.	.			trans	-70.4	140	175.2	-70.7	-161.2	0	0	0	110.4	W894 H895 N898 F919	W894-H900 CarbonylContact C-O 3.53Å; W894-H900 VanDerWaalsContact CA-O 3.28Å; W894-H900 WeakPolarHBondContact CA-O 3.29Å; H895-H900 HydrophobicContact CB-CB 4.44Å; H895-H900 PolarHBondContact N-O 2.78Å; N898-H900 VanDerWaalsContact CG-CG 3.45Å; N898-H900 PolarHBondContact ND2-ND1 3.28Å; N898-H900 PolarHBondContact O-N 3.28Å; N898-H900 WeakPolarHBondContact OD1-CB 3.5Å; N898-H900 PolarHBondContact OD1-CD2 2.88Å; N898-H900 PolarHBondContact OD1-N 3.16Å; H900-F919 AromaticContact CD2-CD2 3.56Å; H900-F919 AromaticContact CD2-CE2 3.68Å; H900-F919 AromaticContact CE1-CD2 3.88Å; H900-F919 AromaticContact CG-CD2 3.81Å; H900-F919 AromaticContact ND1-CD2 4Å; H900-F919 AromaticContact NE2-CD2 3.62Å
901	Y	84.8	Confident	81.6	Confident	26 Å²	26	33.3 Å²	33.3	10%	0.102	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.9	178.9	-177.2	-120.7	0	0	0	111.6	R892 W894 G903 Y904 I920 P922	R892-Y901 HydrophobicContact CB-CE2 4.07Å; R892-Y901 HydrophobicContact CG-CE2 4.18Å; W894-Y901 HydrophobicContact CD2-CD2 4.22Å; W894-Y901 HydrophobicContact CE3-CD2 4.03Å; W894-Y901 HydrophobicContact CE3-CG 4.5Å; W894-Y901 AromaticContact CH2-CD2 3.51Å; W894-Y901 HydrophobicContact CH2-CD2 3.51Å; W894-Y901 HydrophobicContact CH2-CE2 4.25Å; W894-Y901 HydrophobicContact CH2-CG 4.19Å; W894-Y901 AromaticContact CZ2-CD2 3.7Å; W894-Y901 HydrophobicContact CZ2-CD2 3.7Å; W894-Y901 HydrophobicContact CZ2-CE2 4.13Å; W894-Y901 AromaticContact CZ3-CD2 3.71Å; W894-Y901 HydrophobicContact CZ3-CD2 3.71Å; W894-Y901 HydrophobicContact CZ3-CG 4.07Å; Y901-G903 WeakPolarHBondContact CE2-O 3.2Å; Y901-G903 VanDerWaalsContact CZ-C 3.44Å; Y901-G903 VanDerWaalsContact OH-C 3.26Å; Y901-G903 PolarHBondContact OH-O 3.33Å; Y901-Y904 WeakPolarHBondContact OH-CD1 3.37Å; Y901-Y904 PolarHBondContact OH-N 2.6Å; Y901-I920 WeakPolarHBondContact CB-O 3.45Å; Y901-I920 HydrophobicContact CD1-CG2 3.92Å; Y901-P922 HydrophobicContact CD1-CG 3.95Å; Y901-P922 HydrophobicContact CD2-CG 3.72Å; Y901-P922 HydrophobicContact CE1-CG 3.96Å; Y901-P922 HydrophobicContact CE2-CG 3.74Å; Y901-P922 HydrophobicContact CG-CG 3.81Å
902	C	83.2	Confident	80.2	Confident	17 Å²	17	36.7 Å²	36.7	12%	0.115	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-26.7	179.5	-55.1	0	0	0	0	112.9	L893 W894 H895	L893-C902 HydrophobicContact CB-CB 4.09Å; L893-C902 HydrophobicContact CD2-CB 4.11Å; L893-C902 HydrophobicContact CG-CB 4.02Å; L893-C902 WeakPolarHBondContact O-CB 3.49Å; L893-C902 PolarHBondContact O-N 3.46Å; W894-C902 VanDerWaalsContact C-SG 3.59Å; H895-C902 PolarHBondContact N-SG 2.92Å; H895-C902 VanDerWaalsContact N-SG 3.45Å
903	G	81.5	Confident	79.1	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-169.8	-178.1	0	0	0	0	0	113.8	R892 L893 Y901	R892-G903 WeakPolarHBondContact CA-O 2.84Å; L893-G903 PolarHBondContact N-O 3.32Å; Y901-G903 WeakPolarHBondContact CE2-O 3.2Å; Y901-G903 VanDerWaalsContact CZ-C 3.44Å; Y901-G903 VanDerWaalsContact OH-C 3.26Å; Y901-G903 PolarHBondContact OH-O 3.33Å
904	Y	88.7	Confident	77.7	Confident	30 Å²	30	42.9 Å²	42.9	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.9	172.8	71.7	-79.7	0	0	0	112.1	P451 V891 Y901 Q907	P451-Y904 HydrophobicContact CB-CD1 3.86Å; P451-Y904 HydrophobicContact CB-CD2 4.03Å; P451-Y904 HydrophobicContact CB-CE1 4.35Å; P451-Y904 HydrophobicContact CB-CG 3.69Å; P451-Y904 HydrophobicContact CG-CD1 4.34Å; V891-Y904 CarbonylContact O-C 3.58Å; V891-Y904 VanDerWaalsContact O-CA 3.23Å; V891-Y904 WeakPolarHBondContact O-CA 3.48Å; V891-Y904 WeakPolarHBondContact O-CB 3.16Å; Y901-Y904 WeakPolarHBondContact OH-CD1 3.37Å; Y901-Y904 PolarHBondContact OH-N 2.6Å; Y904-Q907 HydrophobicContact CD1-CB 3.73Å; Y904-Q907 HydrophobicContact CD2-CB 4.3Å; Y904-Q907 HydrophobicContact CE1-CB 3.42Å; Y904-Q907 VanDerWaalsContact CE1-CB 3.42Å; Y904-Q907 HydrophobicContact CE2-CB 4.03Å; Y904-Q907 HydrophobicContact CG-CB 4.16Å; Y904-Q907 WeakPolarHBondContact O-CB 3.29Å; Y904-Q907 WeakPolarHBondContact O-CG 3.38Å; Y904-Q907 PolarHBondContact O-N 3.17Å; Y904-Q907 PolarHBondContact O-OE1 2.84Å
905	F	87.9	Confident	75.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	134.7	179	-69.8	-91.4	0	0	0	110.7	T453 V470 W482 L484 I883 V891 L893 F911	T453-F905 WeakPolarHBondContact CB-O 3.48Å; T453-F905 HydrophobicContact CG2-CB 3.88Å; T453-F905 WeakPolarHBondContact CG2-O 3.35Å; T453-F905 PolarHBondContact OG1-O 2.94Å; V470-F905 HydrophobicContact CB-CE1 4.41Å; V470-F905 HydrophobicContact CG2-CE1 3.9Å; V470-F905 HydrophobicContact CG2-CZ 3.73Å; W482-F905 HydrophobicContact CB-CD1 3.51Å; W482-F905 HydrophobicContact CB-CE1 4.11Å; W482-F905 HydrophobicContact CB-CG 4.36Å; W482-F905 HydrophobicContact CD2-CB 3.94Å; W482-F905 HydrophobicContact CE3-CB 4.12Å; W482-F905 HydrophobicContact CG-CB 4.13Å; W482-F905 AromaticContact CG-CD1 3.97Å; W482-F905 HydrophobicContact CG-CD1 3.97Å; W482-F905 HydrophobicContact CG-CG 4.37Å; L484-F905 HydrophobicContact CD1-CZ 3.93Å; I883-F905 HydrophobicContact CG2-CE2 3.91Å; V891-F905 HydrophobicContact CB-CB 4.45Å; V891-F905 HydrophobicContact CB-CD2 3.87Å; V891-F905 HydrophobicContact CG1-CD2 3.54Å; V891-F905 HydrophobicContact CG1-CE2 3.9Å; V891-F905 HydrophobicContact CG1-CG 4.48Å; V891-F905 PolarHBondContact O-N 2.94Å; L893-F905 HydrophobicContact CB-CE2 4.46Å; F905-F911 HydrophobicContact CD1-CE2 4.28Å; F905-F911 HydrophobicContact CD1-CZ 4.07Å; F905-F911 HydrophobicContact CD2-CZ 4.3Å; F905-F911 AromaticContact CE1-CE2 3.84Å; F905-F911 HydrophobicContact CE1-CE2 3.84Å; F905-F911 HydrophobicContact CE1-CZ 4Å; F905-F911 HydrophobicContact CE2-CZ 4.22Å; F905-F911 HydrophobicContact CG-CZ 4.25Å; F905-F911 AromaticContact CZ-CE2 3.99Å; F905-F911 HydrophobicContact CZ-CE2 3.99Å; F905-F911 HydrophobicContact CZ-CZ 4.08Å
906	G	76.4	Confident	74.1	Confident	37 Å²	37	52.4 Å²	52.4	38%	0.381	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	3.3	-169.8	0	0	0	0	0	115.1	G487	G487-G906 PolarHBondContact O-N 2.7Å
907	Q	72.8	Confident	72.1	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.028	30%	0.3	C	S	.	.			trans	-66.7	156	164.8	80.6	-175.5	21.9	0	0	110.8	Y904 R909 F911	Y904-Q907 HydrophobicContact CD1-CB 3.73Å; Y904-Q907 HydrophobicContact CD2-CB 4.3Å; Y904-Q907 HydrophobicContact CE1-CB 3.42Å; Y904-Q907 VanDerWaalsContact CE1-CB 3.42Å; Y904-Q907 HydrophobicContact CE2-CB 4.03Å; Y904-Q907 HydrophobicContact CG-CB 4.16Å; Y904-Q907 WeakPolarHBondContact O-CB 3.29Å; Y904-Q907 WeakPolarHBondContact O-CG 3.38Å; Y904-Q907 PolarHBondContact O-N 3.17Å; Y904-Q907 PolarHBondContact O-OE1 2.84Å; Q907-R909 VanDerWaalsContact C-N 3.29Å; Q907-R909 WeakPolarHBondContact CG-O 3.29Å; Q907-R909 PolarHBondContact NE2-O 2.83Å; Q907-R909 PolarHBondContact O-N 2.9Å; Q907-F911 HydrophobicContact CG-CE1 4.47Å
908	R	58.6	Low	70.5	Confident	207 Å²	207	55.7 Å²	55.7	78%	0.781	29%	0.291	S	S	*	.	S	Bend	trans	-79	-10.4	-179.6	-66.6	-174.7	176.8	-160.8	-2.5	114.4
909	R	60.1	Low	69.3	Low	44 Å²	44	57 Å²	57	17%	0.166	30%	0.295	C	S	.	.	S	Bend	trans	-106.6	139.3	-171.9	-165.8	-170.1	-176.7	-136.3	-5.5	111	Q907 E912	Q907-R909 VanDerWaalsContact C-N 3.29Å; Q907-R909 WeakPolarHBondContact CG-O 3.29Å; Q907-R909 PolarHBondContact NE2-O 2.83Å; Q907-R909 PolarHBondContact O-N 2.9Å; R909-E912 IonicContact CZ-OE1 2.66Å; R909-E912 IonicContact CZ-OE2 2.9Å; R909-E912 VanDerWaalsContact NH1-CD 3.29Å; R909-E912 IonicContact NH1-OE1 2.67Å; R909-E912 IonicContact NH1-OE2 3.14Å; R909-E912 PolarHBondContact NH1-OE2 3.41Å; R909-E912 IonicContact NH2-OE1 3.4Å; R909-E912 PolarHBondContact NH2-OE1 2.79Å; R909-E912 IonicContact NH2-OE2 3.76Å; R909-E912 PolarHBondContact NH2-OE2 3.44Å; R909-E912 VanDerWaalsContact NH2-OE2 3.15Å
910	L	63.4	Low	68.2	Low	83 Å²	83	58.6 Å²	58.6	44%	0.435	30%	0.303	S	S	.	.			trans	-59.9	150.8	168.2	-56.6	177.5	0	0	0	111.2	T486	T486-L910 HydrophobicContact CG2-CD2 3.79Å
911	F	73.5	Confident	67.2	Low	17 Å²	17	57.6 Å²	57.6	8%	0.075	30%	0.299	C	S	.	.			trans	-75.1	134	179.2	-60.2	-54.2	0	0	0	112.1	L484 G487 L893 F905 Q907 L913	L484-F911 WeakPolarHBondContact O-CD2 3.44Å; L484-F911 VanDerWaalsContact O-CE2 3.32Å; L484-F911 WeakPolarHBondContact O-CE2 3.49Å; G487-F911 VanDerWaalsContact N-CE2 3.33Å; L893-F911 HydrophobicContact CB-CE1 4.45Å; L893-F911 HydrophobicContact CD2-CB 4.24Å; L893-F911 HydrophobicContact CD2-CD1 4.08Å; L893-F911 HydrophobicContact CD2-CD2 3.58Å; L893-F911 HydrophobicContact CD2-CE1 4.3Å; L893-F911 HydrophobicContact CD2-CE2 3.79Å; L893-F911 HydrophobicContact CD2-CG 3.72Å; L893-F911 HydrophobicContact CD2-CZ 4.15Å; F905-F911 HydrophobicContact CD1-CE2 4.28Å; F905-F911 HydrophobicContact CD1-CZ 4.07Å; F905-F911 HydrophobicContact CD2-CZ 4.3Å; F905-F911 AromaticContact CE1-CE2 3.84Å; F905-F911 HydrophobicContact CE1-CE2 3.84Å; F905-F911 HydrophobicContact CE1-CZ 4Å; F905-F911 HydrophobicContact CE2-CZ 4.22Å; F905-F911 HydrophobicContact CG-CZ 4.25Å; F905-F911 AromaticContact CZ-CE2 3.99Å; F905-F911 HydrophobicContact CZ-CE2 3.99Å; F905-F911 HydrophobicContact CZ-CZ 4.08Å; Q907-F911 HydrophobicContact CG-CE1 4.47Å; F911-L913 HydrophobicContact CB-CD2 3.74Å; F911-L913 HydrophobicContact CB-CG 4.06Å; F911-L913 PolarHBondContact O-N 3.22Å; F911-L913 VanDerWaalsContact O-N 3.15Å
912	E	65.6	Low	66.4	Low	71 Å²	71	56.7 Å²	56.7	33%	0.332	30%	0.296	S	S	.	.			trans	-83	86.3	167.7	-78.8	175.2	148.7	0	0	109.8	R909 S914	R909-E912 IonicContact CZ-OE1 2.66Å; R909-E912 IonicContact CZ-OE2 2.9Å; R909-E912 VanDerWaalsContact NH1-CD 3.29Å; R909-E912 IonicContact NH1-OE1 2.67Å; R909-E912 IonicContact NH1-OE2 3.14Å; R909-E912 PolarHBondContact NH1-OE2 3.41Å; R909-E912 IonicContact NH2-OE1 3.4Å; R909-E912 PolarHBondContact NH2-OE1 2.79Å; R909-E912 IonicContact NH2-OE2 3.76Å; R909-E912 PolarHBondContact NH2-OE2 3.44Å; R909-E912 VanDerWaalsContact NH2-OE2 3.15Å; E912-S914 PolarHBondContact O-N 2.85Å
913	L	69.4	Low	65.6	Low	56 Å²	56	59.1 Å²	59.1	29%	0.293	31%	0.313	S	S	.	.			trans	-79.3	3	177.7	-54.4	-178.2	0	0	0	113.6	V881 L893 H895 F911	V881-L913 HydrophobicContact CG1-CD2 4.26Å; L893-L913 HydrophobicContact CD2-CD2 3.69Å; H895-L913 PolarHBondContact CE1-O 2.96Å; F911-L913 HydrophobicContact CB-CD2 3.74Å; F911-L913 HydrophobicContact CB-CG 4.06Å; F911-L913 PolarHBondContact O-N 3.22Å; F911-L913 VanDerWaalsContact O-N 3.15Å
914	S	62.1	Low	65.1	Low	74 Å²	74	60.9 Å²	60.9	52%	0.517	32%	0.322	S	S	.	.	S	Bend	trans	-86.5	143.5	175.2	56.2	0	0	0	0	111	E912 T916	E912-S914 PolarHBondContact O-N 2.85Å; S914-T916 PolarHBondContact O-N 2.67Å
915	Q	54.4	Low	64.6	Low	165 Å²	165	59.8 Å²	59.8	77%	0.771	32%	0.318	S	S	*	.			trans	-65.9	93.3	177.6	-68.6	-176.2	-1.3	0	0	111.4
916	T	51.7	Low	63.9	Low	54 Å²	54	65.4 Å²	65.4	33%	0.331	35%	0.352	S	S	.	.			trans	-82	149.1	172.8	54.1	0	0	0	0	111.3	S914 D918	S914-T916 PolarHBondContact O-N 2.67Å; T916-D918 PolarHBondContact O-N 2.84Å
917	S	45.9	Very low	64	Low	109 Å²	109	64.6 Å²	64.6	76%	0.762	34%	0.339	S	S	*	.	S	Bend	trans	-73.2	-12.7	171.4	47.7	0	0	0	0	113.5	F919	S917-F919 PolarHBondContact O-N 3.16Å
918	D	47.2	Very low	64.2	Low	79 Å²	79	71.9 Å²	71.9	42%	0.422	37%	0.367	S	S	.	.			trans	-103.3	98	-157.1	-68.4	6.8	0	0	0	109.2	M443 T916 I920	M443-D918 HydrophobicContact CE-CB 3.82Å; M443-D918 WeakPolarHBondContact CE-OD2 3.47Å; T916-D918 PolarHBondContact O-N 2.84Å; D918-I920 PolarHBondContact O-N 2.65Å
919	F	58.8	Low	65.4	Low	72 Å²	72	63.5 Å²	63.5	32%	0.316	34%	0.34	S	S	.	.			trans	-74	116.9	-171.5	-178.7	-99.6	0	0	0	112.8	H900 S917 L921 Y928 P929	H900-F919 AromaticContact CD2-CD2 3.56Å; H900-F919 AromaticContact CD2-CE2 3.68Å; H900-F919 AromaticContact CE1-CD2 3.88Å; H900-F919 AromaticContact CG-CD2 3.81Å; H900-F919 AromaticContact ND1-CD2 4Å; H900-F919 AromaticContact NE2-CD2 3.62Å; S917-F919 PolarHBondContact O-N 3.16Å; F919-L921 HydrophobicContact CE1-CD1 3.95Å; F919-L921 HydrophobicContact CE1-CD2 3.87Å; F919-L921 HydrophobicContact CE1-CG 3.54Å; F919-L921 HydrophobicContact CZ-CD1 4.48Å; F919-L921 HydrophobicContact CZ-CD2 3.6Å; F919-L921 HydrophobicContact CZ-CG 3.84Å; F919-Y928 AromaticContact CD1-CD1 3.98Å; F919-Y928 HydrophobicContact CD1-CD1 3.98Å; F919-Y928 AromaticContact CD1-CE1 3.93Å; F919-Y928 HydrophobicContact CD1-CE1 3.93Å; F919-Y928 AromaticContact CE1-CD1 3.31Å; F919-Y928 HydrophobicContact CE1-CD1 3.31Å; F919-Y928 AromaticContact CE1-CE1 3.56Å; F919-Y928 HydrophobicContact CE1-CE1 3.56Å; F919-Y928 HydrophobicContact CE1-CG 4.28Å; F919-Y928 AromaticContact CZ-CD1 3.99Å; F919-Y928 HydrophobicContact CZ-CD1 3.99Å; F919-P929 HydrophobicContact CE2-CG 4.03Å; F919-P929 VanDerWaalsContact CZ-CD 3.44Å; F919-P929 HydrophobicContact CZ-CG 4.19Å
920	I	61.6	Low	66.5	Low	36 Å²	36	64.6 Å²	64.6	19%	0.185	35%	0.348	C	S	.	.			trans	-109.9	140	-178.4	-68	175.1	0	0	0	109.3	I444 Q445 Y901 D918	I444-I920 WeakPolarHBondContact O-CD1 3.28Å; Q445-I920 HydrophobicContact CG-CG2 4.23Å; Q445-I920 VanDerWaalsContact NE2-CG2 3.32Å; Y901-I920 WeakPolarHBondContact CB-O 3.45Å; Y901-I920 HydrophobicContact CD1-CG2 3.92Å; D918-I920 PolarHBondContact O-N 2.65Å
921	L	63.9	Low	67.5	Low	25 Å²	25	67 Å²	67	13%	0.131	36%	0.357	C	S	.	.			trans	-120.6	143.9	169.2	-76.3	175.5	0	0	0	110.9	Q445 F919 V925 E927 Y928	Q445-L921 PolarHBondContact NE2-O 2.83Å; F919-L921 HydrophobicContact CE1-CD1 3.95Å; F919-L921 HydrophobicContact CE1-CD2 3.87Å; F919-L921 HydrophobicContact CE1-CG 3.54Å; F919-L921 HydrophobicContact CZ-CD1 4.48Å; F919-L921 HydrophobicContact CZ-CD2 3.6Å; F919-L921 HydrophobicContact CZ-CG 3.84Å; L921-V925 HydrophobicContact CD2-CG1 4.13Å; L921-E927 WeakPolarHBondContact CD2-O 3.37Å; L921-Y928 HydrophobicContact CD1-CE1 4.33Å; L921-Y928 HydrophobicContact CD1-CE2 4.31Å
922	P	68.6	Low	67.8	Low	6 Å²	6	66.8 Å²	66.8	4%	0.039	36%	0.356	C	S	.	.			trans	-53.6	151.2	166.5	-25.2	34.3	0	0	0	112.5	P451 W894 Y901 D924 V925	P451-P922 HydrophobicContact CG-CB 4.47Å; W894-P922 HydrophobicContact CH2-CG 3.73Å; W894-P922 HydrophobicContact CZ2-CG 4.45Å; Y901-P922 HydrophobicContact CD1-CG 3.95Å; Y901-P922 HydrophobicContact CD2-CG 3.72Å; Y901-P922 HydrophobicContact CE1-CG 3.96Å; Y901-P922 HydrophobicContact CE2-CG 3.74Å; Y901-P922 HydrophobicContact CG-CG 3.81Å; P922-D924 VanDerWaalsContact CB-OD1 3.23Å; P922-D924 WeakPolarHBondContact CB-OD1 3.5Å; P922-D924 PolarHBondContact O-N 2.79Å; P922-V925 HydrophobicContact CB-CB 4.26Å; P922-V925 HydrophobicContact CB-CG2 4.14Å; P922-V925 HydrophobicContact CG-CB 4.39Å; P922-V925 HydrophobicContact CG-CG2 4.21Å; P922-V925 PolarHBondContact O-N 2.97Å; P922-V925 VanDerWaalsContact O-N 3.13Å
923	C	65.5	Low	68	Low	68 Å²	68	69.5 Å²	69.5	46%	0.459	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.2	-174.6	67.1	0	0	0	0	114.8	Q449	Q449-C923 PolarHBondContact O-SG 3.27Å
924	D	71.9	Confident	67.4	Low	40 Å²	40	71.3 Å²	71.3	21%	0.214	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-17.2	176.3	67.3	-36.8	0	0	0	113.3	S867 R892 P922	S867-D924 WeakPolarHBondContact CB-OD2 3.5Å; S867-D924 PolarHBondContact N-OD2 3.36Å; S867-D924 PolarHBondContact OG-OD2 2.82Å; R892-D924 IonicContact CZ-OD1 2.77Å; R892-D924 IonicContact CZ-OD2 3.18Å; R892-D924 IonicContact NH1-OD1 2.7Å; R892-D924 PolarHBondContact NH1-OD1 3.18Å; R892-D924 IonicContact NH1-OD2 3.74Å; R892-D924 PolarHBondContact NH1-OD2 3.18Å; R892-D924 IonicContact NH2-OD1 2.71Å; R892-D924 PolarHBondContact NH2-OD1 3.38Å; R892-D924 IonicContact NH2-OD2 3.09Å; R892-D924 PolarHBondContact NH2-OD2 3.37Å; P922-D924 VanDerWaalsContact CB-OD1 3.23Å; P922-D924 WeakPolarHBondContact CB-OD1 3.5Å; P922-D924 PolarHBondContact O-N 2.79Å
925	V	77.8	Confident	66.6	Low	6 Å²	6	75.9 Å²	75.9	4%	0.036	39%	0.387	C	S	.	.			trans	-96.8	129.6	-179.9	176.9	0	0	0	0	110.5	R864 L921 P922	R864-V925 HydrophobicContact CB-CG1 4.07Å; R864-V925 HydrophobicContact CG-CG1 4.35Å; R864-V925 WeakPolarHBondContact O-CG1 3.06Å; L921-V925 HydrophobicContact CD2-CG1 4.13Å; P922-V925 HydrophobicContact CB-CB 4.26Å; P922-V925 HydrophobicContact CB-CG2 4.14Å; P922-V925 HydrophobicContact CG-CB 4.39Å; P922-V925 HydrophobicContact CG-CG2 4.21Å; P922-V925 PolarHBondContact O-N 2.97Å; P922-V925 VanDerWaalsContact O-N 3.13Å
926	T	72.2	Confident	66.2	Low	118 Å²	118	70.3 Å²	70.3	72%	0.724	37%	0.367	S	S	*	.			trans	-119.3	8.4	179.4	58.9	0	0	0	0	113.6
927	E	78.5	Confident	66	Low	21 Å²	21	72.6 Å²	72.6	10%	0.098	37%	0.372	C	S	.	.			trans	-110.5	137.9	-174.7	-53.8	-169.5	-130	0	0	110	K812 R864 L921	K812-E927 WeakPolarHBondContact CD-OE2 3.46Å; K812-E927 WeakPolarHBondContact CE-OE2 3.29Å; K812-E927 IonicContact NZ-OE1 3.86Å; K812-E927 IonicContact NZ-OE2 2.83Å; K812-E927 PolarHBondContact NZ-OE2 3.01Å; R864-E927 HydrophobicContact CB-CB 4.06Å; R864-E927 VanDerWaalsContact CD-OE1 3.24Å; R864-E927 WeakPolarHBondContact CD-OE1 3.39Å; R864-E927 IonicContact CZ-OE1 2.72Å; R864-E927 IonicContact NE-OE1 3.92Å; R864-E927 IonicContact NH1-OE1 3.28Å; R864-E927 PolarHBondContact NH1-OE1 3.18Å; L921-E927 WeakPolarHBondContact CD2-O 3.37Å
928	Y	78.3	Confident	65.6	Low	158 Å²	158	75.8 Å²	75.8	62%	0.62	37%	0.372	S	S	*	.			trans	-94.5	149.3	-178.7	-64.5	-106.3	0	0	0	109.2	F919 L921	F919-Y928 AromaticContact CD1-CD1 3.98Å; F919-Y928 HydrophobicContact CD1-CD1 3.98Å; F919-Y928 AromaticContact CD1-CE1 3.93Å; F919-Y928 HydrophobicContact CD1-CE1 3.93Å; F919-Y928 AromaticContact CE1-CD1 3.31Å; F919-Y928 HydrophobicContact CE1-CD1 3.31Å; F919-Y928 AromaticContact CE1-CE1 3.56Å; F919-Y928 HydrophobicContact CE1-CE1 3.56Å; F919-Y928 HydrophobicContact CE1-CG 4.28Å; F919-Y928 AromaticContact CZ-CD1 3.99Å; F919-Y928 HydrophobicContact CZ-CD1 3.99Å; L921-Y928 HydrophobicContact CD1-CE1 4.33Å; L921-Y928 HydrophobicContact CD1-CE2 4.31Å
929	P	84	Confident	65	Low	32 Å²	32	77.8 Å²	77.8	21%	0.208	39%	0.388	C	S	.	.			trans	-51.8	140.6	168.7	-26.5	33.8	0	0	0	112.5	L861 W863 N898 G899 F919	L861-P929 HydrophobicContact CD1-CB 4.17Å; W863-P929 HydrophobicContact CB-CB 3.87Å; W863-P929 HydrophobicContact CB-CG 3.83Å; N898-P929 VanDerWaalsContact O-CB 3.31Å; N898-P929 WeakPolarHBondContact O-CB 3.33Å; N898-P929 WeakPolarHBondContact O-CG 3.22Å; G899-P929 WeakPolarHBondContact O-CG 3.32Å; F919-P929 HydrophobicContact CE2-CG 4.03Å; F919-P929 VanDerWaalsContact CZ-CD 3.44Å; F919-P929 HydrophobicContact CZ-CG 4.19Å
930	I	83.2	Confident	63.8	Low	66 Å²	66	80.8 Å²	80.8	34%	0.338	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.6	-178.1	-53.9	179.4	0	0	0	108.2	F810 L861 S862 I932	F810-I930 HydrophobicContact CE1-CG2 4.45Å; L861-I930 WeakPolarHBondContact CA-O 3.39Å; S862-I930 PolarHBondContact N-O 3.46Å; S862-I930 VanDerWaalsContact N-O 3.08Å; S862-I930 PolarHBondContact O-N 3.24Å; I930-I932 HydrophobicContact CG2-CG1 4.21Å
931	E	83.1	Confident	62.7	Low	133 Å²	133	87.6 Å²	87.6	62%	0.621	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	129.6	163.7	-71.7	-179.4	-171.9	0	0	109.8	L861 K933	L861-E931 HydrophobicContact CD1-CG 4.27Å; E931-K933 WeakPolarHBondContact OE2-CE 3.32Å; E931-K933 IonicContact OE2-NZ 3.99Å; E931-K933 PolarHBondContact OE2-NZ 3.38Å
932	I	80.9	Confident	61	Low	13 Å²	13	94 Å²	94	7%	0.067	46%	0.46	C	S	.	.			trans	-109.1	104.6	-176.7	-66.4	159.2	0	0	0	109.1	F810 Q859 L860 I930	F810-I932 HydrophobicContact CB-CD1 4.12Å; F810-I932 HydrophobicContact CD1-CD1 3.9Å; F810-I932 HydrophobicContact CD1-CG1 4Å; F810-I932 HydrophobicContact CG-CD1 4.45Å; Q859-I932 HydrophobicContact CG-CD1 3.76Å; L860-I932 PolarHBondContact O-N 2.94Å; I930-I932 HydrophobicContact CG2-CG1 4.21Å
933	K	69.8	Low	59.1	Low	129 Å²	129	103 Å²	103	56%	0.561	50%	0.499	S	S	*	.			trans	-93.9	138.7	179.7	-60.4	-176.2	-177.8	174.9	0	108.9	E931 E935 S936	E931-K933 WeakPolarHBondContact OE2-CE 3.32Å; E931-K933 IonicContact OE2-NZ 3.99Å; E931-K933 PolarHBondContact OE2-NZ 3.38Å; K933-E935 PolarHBondContact O-N 2.85Å; K933-S936 PolarHBondContact O-N 3.5Å; K933-S936 PolarHBondContact O-OG 3.17Å; K933-S936 VanDerWaalsContact O-OG 3.04Å
934	E	55.8	Low	57.7	Low	94 Å²	94	109 Å²	109	44%	0.439	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-58.7	-29.3	-166.1	-64.6	179.8	109.1	0	0	113.7	K858 S936 K937	K858-E934 WeakPolarHBondContact CD-OE1 3.49Å; K858-E934 WeakPolarHBondContact CE-OE1 3.31Å; K858-E934 IonicContact NZ-OE1 3.46Å; K858-E934 PolarHBondContact NZ-OE1 2.73Å; K858-E934 IonicContact NZ-OE2 3.64Å; K858-E934 PolarHBondContact NZ-OE2 2.91Å; E934-S936 VanDerWaalsContact C-N 3.29Å; E934-S936 PolarHBondContact O-N 2.86Å; E934-K937 PolarHBondContact O-N 2.86Å
935	E	44.9	Very low	55.8	Low	169 Å²	169	115.1 Å²	115.1	79%	0.79	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-59.8	-32.5	174.4	-58.2	-177.6	154.3	0	0	113.4	K933 K937 F938	K933-E935 PolarHBondContact O-N 2.85Å; E935-K937 PolarHBondContact O-N 2.85Å; E935-F938 PolarHBondContact O-N 3.32Å; E935-F938 VanDerWaalsContact O-N 3.14Å
936	S	45.8	Very low	53.7	Low	48 Å²	48	123.8 Å²	123.8	34%	0.336	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-73.8	-8.5	-177.6	77.5	0	0	0	0	113.7	K933 E934 F938 T939	K933-S936 PolarHBondContact O-N 3.5Å; K933-S936 PolarHBondContact O-OG 3.17Å; K933-S936 VanDerWaalsContact O-OG 3.04Å; E934-S936 VanDerWaalsContact C-N 3.29Å; E934-S936 PolarHBondContact O-N 2.86Å; S936-F938 VanDerWaalsContact C-N 3.26Å; S936-T939 PolarHBondContact O-OG1 3Å
937	K	47.6	Very low	52.1	Low	102 Å²	102	122.5 Å²	122.5	44%	0.443	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-74.8	-16.3	170.6	-66.6	-175.8	177	179.4	0	112.8	E934 E935	E934-K937 PolarHBondContact O-N 2.86Å; E935-K937 PolarHBondContact O-N 2.85Å
938	F	37.8	Very low	50.3	Low	176 Å²	176	127.6 Å²	127.6	77%	0.772	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-95.6	0.4	-177.7	-78.1	-80.6	0	0	0	115.2	E935 S936 E940	E935-F938 PolarHBondContact O-N 3.32Å; E935-F938 VanDerWaalsContact O-N 3.14Å; S936-F938 VanDerWaalsContact C-N 3.26Å; F938-E940 PolarHBondContact O-N 2.76Å
939	T	34.7	Very low	48.8	Very low	122 Å²	122	126.7 Å²	126.7	75%	0.748	60%	0.599	S	S	*	*			trans	-76.7	70.4	169.3	51.1	0	0	0	0	111	S936 K941	S936-T939 PolarHBondContact O-OG1 3Å; T939-K941 PolarHBondContact O-N 2.86Å
940	E	35	Very low	46.9	Very low	134 Å²	134	129.3 Å²	129.3	63%	0.626	61%	0.608	S	S	*	*			trans	-59.2	132.1	178	-75.6	-155.3	94.7	0	0	112.9	F938 Q942	F938-E940 PolarHBondContact O-N 2.76Å; E940-Q942 VanDerWaalsContact C-N 3.33Å; E940-Q942 PolarHBondContact O-N 2.61Å
941	K	36.6	Very low	45.5	Very low	180 Å²	180	129.2 Å²	129.2	78%	0.783	61%	0.608	S	S	*	*			trans	37.9	47.6	140	-59.9	169.5	-170.4	138.2	0	117.2	T939 K943	T939-K941 PolarHBondContact O-N 2.86Å; K941-K943 PolarHBondContact O-N 2.88Å
942	Q	29.3	Very low	43.8	Very low	159 Å²	159	130.8 Å²	130.8	74%	0.743	61%	0.608	S	S	*	*			trans	-64.3	104.3	158.8	-75.8	-162.1	-0.4	0	0	108.5	E940 Y944	E940-Q942 VanDerWaalsContact C-N 3.33Å; E940-Q942 PolarHBondContact O-N 2.61Å; Q942-Y944 PolarHBondContact O-N 3.1Å
943	K	28.8	Very low	42.3	Very low	194 Å²	194	136.9 Å²	136.9	84%	0.843	64%	0.636	S	S	*	*			trans	-60.2	103.3	168	-83	-178	173.1	178.7	0	108.4	K941 E945	K941-K943 PolarHBondContact O-N 2.88Å; K943-E945 PolarHBondContact O-N 2.92Å
944	Y	35.7	Very low	41.4	Very low	194 Å²	194	136.7 Å²	136.7	76%	0.761	64%	0.635	S	S	*	*			trans	-70.3	94.6	165	-82.1	-87.9	0	0	0	109.2	Q942 Y946	Q942-Y944 PolarHBondContact O-N 3.1Å; Y944-Y946 PolarHBondContact O-N 3.22Å
945	E	31.6	Very low	41	Very low	170 Å²	170	137.6 Å²	137.6	79%	0.794	64%	0.635	S	S	*	*			trans	-66.7	118.5	162	-67.3	-165.1	145.5	0	0	108.7	K943	K943-E945 PolarHBondContact O-N 2.92Å
946	Y	34.1	Very low	41	Very low	187 Å²	187	139.5 Å²	139.5	73%	0.733	64%	0.635	S	S	*	*			trans	-64.8	135.3	176.4	-83.1	-103.8	0	0	0	109.6	Y944 L948	Y944-Y946 PolarHBondContact O-N 3.22Å; Y946-L948 PolarHBondContact O-N 3.46Å
947	P	38.8	Very low	40.9	Very low	91 Å²	91	144.5 Å²	144.5	59%	0.591	65%	0.65	S	S	*	*	S	Bend	trans	-76	25.7	-171	32.7	-38.5	0	0	0	114.3
948	L	41.6	Very low	40.6	Very low	128 Å²	128	143.6 Å²	143.6	67%	0.67	65%	0.649	S	S	*	*			trans	-123.1	78.6	-175.6	-66.1	177.6	0	0	0	110.2	Y946	Y946-L948 PolarHBondContact O-N 3.46Å
949	I	45	Very low	41.1	Very low	139 Å²	139	139.4 Å²	139.4	71%	0.713	64%	0.641	S	S	*	*			trans	-86.3	120.8	175.8	-59.4	173.7	0	0	0	109.1	D951	I949-D951 PolarHBondContact O-N 3.2Å
950	F	44.4	Very low	41.7	Very low	88 Å²	88	138.3 Å²	138.3	39%	0.386	64%	0.638	S	S	.	*			trans	-80.2	102.8	175.9	-178.3	-105.9	0	0	0	111.1	R952 W955 F982	F950-R952 HydrophobicContact CD1-CG 3.74Å; F950-R952 HydrophobicContact CE1-CG 3.89Å; F950-R952 PolarHBondContact O-N 3.37Å; F950-W955 HydrophobicContact CZ-CB 4.03Å; F950-W955 HydrophobicContact CZ-CD2 4.31Å; F950-W955 AromaticContact CZ-CG 3.91Å; F950-W955 HydrophobicContact CZ-CG 3.91Å; F950-F982 HydrophobicContact CD2-CE1 4.27Å; F950-F982 HydrophobicContact CD2-CZ 4.43Å; F950-F982 HydrophobicContact CE2-CZ 4.22Å; F950-F982 HydrophobicContact CG-CE1 4.27Å; F950-F982 HydrophobicContact CZ-CZ 4.26Å
951	D	53.8	Low	41.9	Very low	63 Å²	63	139.6 Å²	139.6	34%	0.337	65%	0.646	S	S	.	*			trans	-71.3	91.3	178.1	-172.1	-29.5	0	0	0	111.6	I949 E953 K954 W955	I949-D951 PolarHBondContact O-N 3.2Å; D951-E953 PolarHBondContact O-N 3.48Å; D951-E953 PolarHBondContact OD1-N 3.44Å; D951-E953 VanDerWaalsContact OD1-N 3.1Å; D951-K954 HydrophobicContact CB-CB 4.3Å; D951-K954 PolarHBondContact O-N 3.3Å; D951-K954 PolarHBondContact OD1-N 3.18Å; D951-K954 WeakPolarHBondContact OD2-CD 3.16Å; D951-K954 WeakPolarHBondContact OD2-CE 3.38Å; D951-K954 VanDerWaalsContact OD2-CG 3.29Å; D951-K954 WeakPolarHBondContact OD2-CG 3.48Å; D951-K954 IonicContact OD2-NZ 2.66Å; D951-K954 PolarHBondContact OD2-NZ 2.94Å; D951-W955 PolarHBondContact O-N 2.89Å
952	R	48.2	Very low	42.1	Very low	166 Å²	166	135.5 Å²	135.5	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-60.3	-29.7	178.9	-70	-174.9	172.6	-131.3	-4.4	113	F950 R956	F950-R952 HydrophobicContact CD1-CG 3.74Å; F950-R952 HydrophobicContact CE1-CG 3.89Å; F950-R952 PolarHBondContact O-N 3.37Å; R952-R956 WeakPolarHBondContact O-CB 3.36Å; R952-R956 PolarHBondContact O-N 3.05Å
953	E	50.1	Low	42.6	Very low	141 Å²	141	135.5 Å²	135.5	66%	0.659	65%	0.645	S	S	*	*	H	α-helix	trans	-78.4	-39.6	-177.4	-64	-157.4	161.4	0	0	112.7	D951 R956 K957	D951-E953 PolarHBondContact O-N 3.48Å; D951-E953 PolarHBondContact OD1-N 3.44Å; D951-E953 VanDerWaalsContact OD1-N 3.1Å; E953-R956 PolarHBondContact O-N 3.18Å; E953-K957 WeakPolarHBondContact O-CG 3.36Å; E953-K957 PolarHBondContact O-N 3.45Å
954	K	50.1	Low	43.3	Very low	126 Å²	126	133.7 Å²	133.7	55%	0.548	64%	0.643	S	S	.	*	H	α-helix	trans	-65.7	-39.7	172.4	-74.5	-171	-171.2	88.3	0	111.6	D951 R956 K957 M958	D951-K954 HydrophobicContact CB-CB 4.3Å; D951-K954 PolarHBondContact O-N 3.3Å; D951-K954 PolarHBondContact OD1-N 3.18Å; D951-K954 WeakPolarHBondContact OD2-CD 3.16Å; D951-K954 WeakPolarHBondContact OD2-CE 3.38Å; D951-K954 VanDerWaalsContact OD2-CG 3.29Å; D951-K954 WeakPolarHBondContact OD2-CG 3.48Å; D951-K954 IonicContact OD2-NZ 2.66Å; D951-K954 PolarHBondContact OD2-NZ 2.94Å; K954-R956 VanDerWaalsContact C-N 3.34Å; K954-R956 PolarHBondContact O-N 3.09Å; K954-K957 PolarHBondContact O-N 3.37Å; K954-K957 VanDerWaalsContact O-N 3.1Å; K954-M958 PolarHBondContact O-N 3.34Å
955	W	46.7	Very low	43.2	Very low	113 Å²	113	134 Å²	134	43%	0.428	65%	0.649	S	S	.	*	H	α-helix	trans	-60	-44.7	175.6	-170.1	-104.8	0	0	0	111.7	F950 D951 K957 M958 L1012	F950-W955 HydrophobicContact CZ-CB 4.03Å; F950-W955 HydrophobicContact CZ-CD2 4.31Å; F950-W955 AromaticContact CZ-CG 3.91Å; F950-W955 HydrophobicContact CZ-CG 3.91Å; D951-W955 PolarHBondContact O-N 2.89Å; W955-K957 PolarHBondContact O-N 3.43Å; W955-K957 VanDerWaalsContact O-N 3.07Å; W955-M958 HydrophobicContact CE3-CE 4.24Å; W955-M958 PolarHBondContact O-N 3.01Å; W955-L1012 HydrophobicContact CH2-CD2 4.39Å; W955-L1012 HydrophobicContact CZ3-CD2 4.45Å
956	R	44.6	Very low	43.5	Very low	209 Å²	209	135.2 Å²	135.2	79%	0.789	65%	0.652	S	S	*	*	H	α-helix	trans	-65.6	-8.4	176.7	-144.5	-177	83.5	-167.2	6	114.6	R952 E953 K954	R952-R956 WeakPolarHBondContact O-CB 3.36Å; R952-R956 PolarHBondContact O-N 3.05Å; E953-R956 PolarHBondContact O-N 3.18Å; K954-R956 VanDerWaalsContact C-N 3.34Å; K954-R956 PolarHBondContact O-N 3.09Å
957	K	43.8	Very low	43.5	Very low	153 Å²	153	138.3 Å²	138.3	67%	0.665	66%	0.662	S	S	*	*	H	α-helix	trans	-98.4	-14.4	173.2	-71.7	173.5	-178.7	170.6	0	113.7	E953 K954 W955	E953-K957 WeakPolarHBondContact O-CG 3.36Å; E953-K957 PolarHBondContact O-N 3.45Å; K954-K957 PolarHBondContact O-N 3.37Å; K954-K957 VanDerWaalsContact O-N 3.1Å; W955-K957 PolarHBondContact O-N 3.43Å; W955-K957 VanDerWaalsContact O-N 3.07Å
958	M	43	Very low	43.4	Very low	82 Å²	82	140.2 Å²	140.2	40%	0.404	67%	0.673	S	S	.	*	H	α-helix	trans	-95.1	-20	179.4	-76.1	-172.1	-72.6	0	0	114.1	K954 W955 S960 P1013	K954-M958 PolarHBondContact O-N 3.34Å; W955-M958 HydrophobicContact CE3-CE 4.24Å; W955-M958 PolarHBondContact O-N 3.01Å; M958-S960 PolarHBondContact O-N 2.81Å; M958-P1013 HydrophobicContact CE-CG 4.11Å
959	S	47.5	Very low	43.1	Very low	89 Å²	89	139.7 Å²	139.7	62%	0.622	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	4.5	-175.1	65.3	0	0	0	0	115.9
960	S	46.6	Very low	42.7	Very low	98 Å²	98	139 Å²	139	69%	0.685	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-6.5	-176.3	57.7	0	0	0	0	115.4	M958	M958-S960 PolarHBondContact O-N 2.81Å
961	M	38.8	Very low	42.2	Very low	161 Å²	161	144.3 Å²	144.3	79%	0.793	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-8.2	-172.8	-70.8	-154.4	66.6	0	0	116.4
962	S	41.3	Very low	41.3	Very low	95 Å²	95	146.1 Å²	146.1	66%	0.664	73%	0.728	S	S	*	*	S	Bend	trans	-102	2.4	-173.7	53.5	0	0	0	0	115.8
963	L	41.1	Very low	40.5	Very low	158 Å²	158	147.1 Å²	147.1	83%	0.827	74%	0.737	S	S	*	*			trans	-121.2	58.6	-175.4	-67.6	176.9	0	0	0	113.3
964	L	41.8	Very low	39.6	Very low	156 Å²	156	149.2 Å²	149.2	82%	0.817	75%	0.747	S	S	*	*			trans	-101.7	61.4	175.1	-82.1	171.5	0	0	0	113.1
965	F	35.5	Very low	38.9	Very low	202 Å²	202	148.5 Å²	148.5	89%	0.886	75%	0.753	S	S	*	*			trans	-132.7	90.6	168.6	-89.8	-78.2	0	0	0	113.6
966	K	37.8	Very low	38.3	Very low	195 Å²	195	151.7 Å²	151.7	85%	0.848	77%	0.772	S	S	*	*			trans	27	91.5	152.4	-62	-179.5	178.7	177.9	0	118.8
967	R	34	Very low	38.1	Very low	251 Å²	251	148.8 Å²	148.8	95%	0.947	77%	0.768	S	S	*	*				-174.1	166	113.1	-100.6	164.9	178.9	177.3	-0.9	111.3
968	T	34.8	Very low	37.7	Very low	132 Å²	132	146.5 Å²	146.5	81%	0.81	76%	0.763	S	S	*	*			trans	-75.8	147	-173.6	34	0	0	0	0	113.1
969	P	35.6	Very low	37.7	Very low	116 Å²	116	146.9 Å²	146.9	75%	0.753	76%	0.762	S	S	*	*			trans	-90.2	142.7	-172.4	34.5	-35.2	0	0	0	113.9
970	P	36.4	Very low	37.4	Very low	124 Å²	124	149.4 Å²	149.4	81%	0.805	76%	0.762	S	S	*	*			trans	-99.6	97.5	162.4	34.4	-27	0	0	0	111.6
971	K	33.8	Very low	37.1	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	75%	0.754	S	S	*	*			trans	65.6	154.5	172.3	-61.6	-179.1	176.7	-180	0	116.6
972	A	34.9	Very low	37.2	Very low	100 Å²	100	146.8 Å²	146.8	83%	0.826	73%	0.734	S	S	*	*			trans	-76.7	128.1	170.5	0	0	0	0	0	109.6
973	F	32.3	Very low	37.1	Very low	187 Å²	187	150.5 Å²	150.5	82%	0.82	74%	0.738	S	S	*	*			trans	-107.1	108.4	169.1	-155.7	-82.4	0	0	0	106.8	V975	F973-V975 HydrophobicContact CD1-CG2 4.13Å; F973-V975 PolarHBondContact O-N 2.75Å
974	E	31.5	Very low	37.1	Very low	186 Å²	186	147.1 Å²	147.1	87%	0.869	73%	0.728	S	S	*	*			trans	-73.7	97.1	175.9	-70.3	-168.1	131.2	0	0	109	E976	E974-E976 PolarHBondContact O-N 3.46Å
975	V	34.6	Very low	36.8	Very low	111 Å²	111	145.3 Å²	145.3	67%	0.673	72%	0.719	S	S	*	*			trans	-74.7	104.9	170.3	-179.8	0	0	0	0	107.8	F973 Q977	F973-V975 HydrophobicContact CD1-CG2 4.13Å; F973-V975 PolarHBondContact O-N 2.75Å; V975-Q977 PolarHBondContact O-N 2.92Å
976	E	34.3	Very low	36.9	Very low	179 Å²	179	139 Å²	139	84%	0.836	70%	0.699	S	S	*	*			trans	-52.3	127.4	166.5	-71	-166.2	118.2	0	0	109.2	E974 D978	E974-E976 PolarHBondContact O-N 3.46Å; E976-D978 VanDerWaalsContact C-N 3.27Å; E976-D978 PolarHBondContact O-N 3.44Å
977	Q	39.9	Very low	36.8	Very low	149 Å²	149	134.3 Å²	134.3	70%	0.696	69%	0.691	S	S	*	*			trans	-79.8	75.4	-169.6	-63.5	-175.1	-1	0	0	111.2	V975 F979	V975-Q977 PolarHBondContact O-N 2.92Å; Q977-F979 VanDerWaalsContact C-N 3.29Å; Q977-F979 HydrophobicContact CB-CD2 3.95Å; Q977-F979 HydrophobicContact CB-CE2 3.51Å; Q977-F979 HydrophobicContact CB-CZ 4.1Å; Q977-F979 HydrophobicContact CG-CE2 4.45Å; Q977-F979 WeakPolarHBondContact O-CD2 3.17Å; Q977-F979 PolarHBondContact O-N 3.18Å
978	D	37.1	Very low	36.9	Very low	104 Å²	104	128.6 Å²	128.6	56%	0.556	69%	0.687	S	S	*	*			trans	-73.6	79.4	-178.8	-166.4	11	0	0	0	111.4	E976 K980	E976-D978 VanDerWaalsContact C-N 3.27Å; E976-D978 PolarHBondContact O-N 3.44Å; D978-K980 PolarHBondContact O-N 2.71Å; D978-K980 WeakPolarHBondContact OD1-CE 3.47Å; D978-K980 WeakPolarHBondContact OD1-CG 3.21Å; D978-K980 IonicContact OD1-NZ 3.49Å; D978-K980 VanDerWaalsContact OD2-CD 3.28Å; D978-K980 WeakPolarHBondContact OD2-CD 3.29Å; D978-K980 WeakPolarHBondContact OD2-CE 3.48Å; D978-K980 IonicContact OD2-NZ 3.3Å; D978-K980 PolarHBondContact OD2-NZ 2.85Å
979	F	42.3	Very low	36.9	Very low	91 Å²	91	131.8 Å²	131.8	40%	0.399	69%	0.689	S	S	.	*			trans	-66.4	29.2	-174.9	-76.3	-75.2	0	0	0	115.4	Q977 F981 F982 K983	Q977-F979 VanDerWaalsContact C-N 3.29Å; Q977-F979 HydrophobicContact CB-CD2 3.95Å; Q977-F979 HydrophobicContact CB-CE2 3.51Å; Q977-F979 HydrophobicContact CB-CZ 4.1Å; Q977-F979 HydrophobicContact CG-CE2 4.45Å; Q977-F979 WeakPolarHBondContact O-CD2 3.17Å; Q977-F979 PolarHBondContact O-N 3.18Å; F979-F981 PolarHBondContact O-N 3.17Å; F979-F981 VanDerWaalsContact O-N 3.17Å; F979-F982 HydrophobicContact CD1-CD2 4.01Å; F979-F982 PolarHBondContact O-N 3.17Å; F979-K983 PolarHBondContact O-N 3.22Å
980	K	41.4	Very low	37	Very low	141 Å²	141	133 Å²	133	61%	0.613	69%	0.688	S	S	*	*	H	α-helix	trans	-47	-44.2	177	-80.8	166.5	-177.9	156.1	0	112.8	D978 F982 K983 S984	D978-K980 PolarHBondContact O-N 2.71Å; D978-K980 WeakPolarHBondContact OD1-CE 3.47Å; D978-K980 WeakPolarHBondContact OD1-CG 3.21Å; D978-K980 IonicContact OD1-NZ 3.49Å; D978-K980 VanDerWaalsContact OD2-CD 3.28Å; D978-K980 WeakPolarHBondContact OD2-CD 3.29Å; D978-K980 WeakPolarHBondContact OD2-CE 3.48Å; D978-K980 IonicContact OD2-NZ 3.3Å; D978-K980 PolarHBondContact OD2-NZ 2.85Å; K980-F982 VanDerWaalsContact C-N 3.31Å; K980-F982 PolarHBondContact O-N 3.37Å; K980-K983 WeakPolarHBondContact O-CB 3.4Å; K980-K983 PolarHBondContact O-N 3.02Å; K980-K983 VanDerWaalsContact O-N 3.1Å; K980-S984 PolarHBondContact O-N 3.46Å; K980-S984 VanDerWaalsContact O-N 3.12Å; K980-S984 PolarHBondContact O-OG 3.08Å
981	F	40.8	Very low	36.5	Very low	120 Å²	120	138.6 Å²	138.6	53%	0.526	69%	0.693	S	S	.	*	H	α-helix	trans	-61.2	-32	-178.6	-173	-99.4	0	0	0	114.5	F979 S984 L985	F979-F981 PolarHBondContact O-N 3.17Å; F979-F981 VanDerWaalsContact O-N 3.17Å; F981-S984 WeakPolarHBondContact CA-OG 3.32Å; F981-S984 PolarHBondContact O-OG 3.18Å; F981-L985 HydrophobicContact CD1-CD1 4.14Å; F981-L985 HydrophobicContact CE1-CD1 3.68Å; F981-L985 HydrophobicContact CZ-CD1 4.23Å
982	F	40.2	Very low	36.5	Very low	84 Å²	84	140.2 Å²	140.2	37%	0.368	69%	0.694	S	S	.	*	H	α-helix	trans	-83.2	-26.7	176.2	-76.5	-86.4	0	0	0	112.3	F950 F979 K980 S984 L985 S986	F950-F982 HydrophobicContact CD2-CE1 4.27Å; F950-F982 HydrophobicContact CD2-CZ 4.43Å; F950-F982 HydrophobicContact CE2-CZ 4.22Å; F950-F982 HydrophobicContact CG-CE1 4.27Å; F950-F982 HydrophobicContact CZ-CZ 4.26Å; F979-F982 HydrophobicContact CD1-CD2 4.01Å; F979-F982 PolarHBondContact O-N 3.17Å; K980-F982 VanDerWaalsContact C-N 3.31Å; K980-F982 PolarHBondContact O-N 3.37Å; F982-S984 VanDerWaalsContact C-N 3.3Å; F982-L985 PolarHBondContact O-N 2.81Å; F982-S986 PolarHBondContact O-N 3.14Å
983	K	38.3	Very low	36.2	Very low	173 Å²	173	145.9 Å²	145.9	75%	0.752	70%	0.695	S	S	*	*	H	α-helix	trans	-66.5	-29	168.8	-91	-177.7	172.8	177.5	0	112.9	F979 K980 L985 S986	F979-K983 PolarHBondContact O-N 3.22Å; K980-K983 WeakPolarHBondContact O-CB 3.4Å; K980-K983 PolarHBondContact O-N 3.02Å; K980-K983 VanDerWaalsContact O-N 3.1Å; K983-L985 VanDerWaalsContact C-N 3.32Å; K983-S986 PolarHBondContact O-OG 3.17Å
984	S	41.1	Very low	36	Very low	87 Å²	87	142.5 Å²	142.5	61%	0.608	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-10.3	172.5	44.9	0	0	0	0	114.7	K980 F981 F982	K980-S984 PolarHBondContact O-N 3.46Å; K980-S984 VanDerWaalsContact O-N 3.12Å; K980-S984 PolarHBondContact O-OG 3.08Å; F981-S984 WeakPolarHBondContact CA-OG 3.32Å; F981-S984 PolarHBondContact O-OG 3.18Å; F982-S984 VanDerWaalsContact C-N 3.3Å
985	L	36.8	Very low	36	Very low	119 Å²	119	142 Å²	142	62%	0.623	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-17.6	175.1	-72.8	170.2	0	0	0	113.3	F981 F982 K983	F981-L985 HydrophobicContact CD1-CD1 4.14Å; F981-L985 HydrophobicContact CE1-CD1 3.68Å; F981-L985 HydrophobicContact CZ-CD1 4.23Å; F982-L985 PolarHBondContact O-N 2.81Å; K983-L985 VanDerWaalsContact C-N 3.32Å
986	S	37	Very low	35.6	Very low	68 Å²	68	144.5 Å²	144.5	48%	0.476	70%	0.699	S	S	.	*	S	Bend	trans	-70.4	141.1	164.2	48.8	0	0	0	0	111.1	F982 K983	F982-S986 PolarHBondContact O-N 3.14Å; K983-S986 PolarHBondContact O-OG 3.17Å
987	S	35.9	Very low	35.2	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	70%	0.697	S	S	*	*			trans	-44.3	133.8	-175.4	57.5	0	0	0	0	113.9	K989	S987-K989 PolarHBondContact O-N 3.29Å
988	P	35.3	Very low	34.7	Very low	131 Å²	131	141.3 Å²	141.3	85%	0.851	70%	0.702	S	S	*	*			trans	-71.9	91.3	-170.5	29.5	-36.4	0	0	0	112.8	I990	P988-I990 PolarHBondContact O-N 3.37Å; P988-I990 VanDerWaalsContact O-N 3.12Å
989	K	35.3	Very low	34.8	Very low	199 Å²	199	142.6 Å²	142.6	87%	0.865	71%	0.713	S	S	*	*			trans	-74.3	93.4	155.5	-78.5	-163.5	173.5	-167.1	0	109.1	S987	S987-K989 PolarHBondContact O-N 3.29Å
990	I	36.9	Very low	34.3	Very low	140 Å²	140	144.7 Å²	144.7	72%	0.718	73%	0.734	S	S	*	*	S	Bend	trans	49.3	102.3	156.6	-50	173.4	0	0	0	115.9	P988	P988-I990 PolarHBondContact O-N 3.37Å; P988-I990 VanDerWaalsContact O-N 3.12Å
991	R	27.8	Very low	34.2	Very low	242 Å²	242	147 Å²	147	91%	0.913	75%	0.747	S	S	*	*			trans	-164.3	113.5	143.2	-105.1	156.4	-159.2	-128	0.3	109.3
992	R	33.3	Very low	33.9	Very low	236 Å²	236	146.7 Å²	146.7	89%	0.891	75%	0.751	S	S	*	*			trans	-107.2	95.1	171.5	-78.3	-175.7	176.3	174.7	-1	109.1
993	Y	28.9	Very low	33.8	Very low	218 Å²	218	154.2 Å²	154.2	86%	0.855	78%	0.777	S	S	*	*			trans	-148.8	146.3	160	-77.9	-69.4	0	0	0	108
994	P	28.1	Very low	33.7	Very low	117 Å²	117	153.2 Å²	153.2	76%	0.76	78%	0.775	S	S	*	*			trans	-65.8	141.6	171.9	29.3	-33.8	0	0	0	110.2	E996	P994-E996 PolarHBondContact O-N 3.18Å
995	L	29.9	Very low	33.4	Very low	175 Å²	175	151.8 Å²	151.8	92%	0.916	77%	0.768	S	S	*	*			trans	-84.8	108.5	170.2	-75.4	167.6	0	0	0	108.7	G997	L995-G997 PolarHBondContact O-N 3.36Å
996	E	26.1	Very low	33.2	Very low	164 Å²	164	148.6 Å²	148.6	77%	0.766	76%	0.764	S	S	*	*			trans	-65.1	123.2	168.8	-65.9	-172.1	144.2	0	0	109.9	P994 F998	P994-E996 PolarHBondContact O-N 3.18Å; E996-F998 HydrophobicContact CB-CE2 4.44Å; E996-F998 PolarHBondContact O-N 3.36Å
997	G	27.4	Very low	33.1	Very low	78 Å²	78	151.9 Å²	151.9	80%	0.804	78%	0.775	S	S	*	*			trans	-85.1	101.3	-173.9	0	0	0	0	0	112.6	L995	L995-G997 PolarHBondContact O-N 3.36Å
998	F	29.5	Very low	33.1	Very low	183 Å²	183	152.3 Å²	152.3	80%	0.803	77%	0.773	S	S	*	*			trans	-84.5	141.7	169.6	-80.7	-85.7	0	0	0	112.5	E996	E996-F998 HydrophobicContact CB-CE2 4.44Å; E996-F998 PolarHBondContact O-N 3.36Å
999	V	39	Very low	33.3	Very low	130 Å²	130	152.9 Å²	152.9	79%	0.788	76%	0.762	S	S	*	*			trans	-68.4	127.4	-169.9	178.4	0	0	0	0	112.4
1000	T	32.2	Very low	33.2	Very low	135 Å²	135	147.2 Å²	147.2	83%	0.828	76%	0.76	S	S	*	*			trans	-141.9	114.3	153	36.1	0	0	0	0	110.3	N1002	T1000-N1002 PolarHBondContact O-N 3.38Å
1001	E	37.9	Very low	33.2	Very low	191 Å²	191	144.5 Å²	144.5	89%	0.893	75%	0.754	S	S	*	*			trans	-78	110.4	170.5	-66.2	-166.2	122	0	0	110
1002	N	34.3	Very low	33.6	Very low	112 Å²	112	137.6 Å²	137.6	60%	0.599	73%	0.734	S	S	*	*			trans	-145	93.4	165.9	-162	-25.2	0	0	0	111.8	T1000 E1004	T1000-N1002 PolarHBondContact O-N 3.38Å; N1002-E1004 PolarHBondContact O-N 3.04Å; N1002-E1004 PolarHBondContact OD1-N 3.1Å
1003	R	39.2	Very low	33.6	Very low	242 Å²	242	128.9 Å²	128.9	91%	0.913	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-67.9	-17.4	-176.5	-83.9	-177.1	169.5	175.6	-2	114.4
1004	E	35.8	Very low	34.1	Very low	153 Å²	153	125.4 Å²	125.4	72%	0.715	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-78.3	-27.5	-174.7	-58.5	-167.1	151.7	0	0	112.8	N1002 G1006 I1007	N1002-E1004 PolarHBondContact O-N 3.04Å; N1002-E1004 PolarHBondContact OD1-N 3.1Å; E1004-G1006 PolarHBondContact O-N 2.88Å; E1004-G1006 VanDerWaalsContact O-N 3.14Å; E1004-I1007 PolarHBondContact O-N 3.18Å; E1004-I1007 VanDerWaalsContact O-N 3.14Å
1005	A	35.5	Very low	34.6	Very low	56 Å²	56	127.4 Å²	127.4	46%	0.463	70%	0.696	S	S	.	*	G	3₁₀ helix	trans	-58.3	-28.9	176.6	0	0	0	0	0	113	I1007 V1008 F1009	A1005-I1007 PolarHBondContact O-N 3.07Å; A1005-V1008 PolarHBondContact O-N 3.24Å; A1005-F1009 WeakPolarHBondContact O-CD2 3.1Å; A1005-F1009 VanDerWaalsContact O-CE2 3.29Å; A1005-F1009 WeakPolarHBondContact O-CE2 3.35Å
1006	G	32.6	Very low	34.7	Very low	52 Å²	52	130.3 Å²	130.3	54%	0.536	70%	0.695	S	S	.	*	G	3₁₀ helix	trans	-63.2	-18	178.7	0	0	0	0	0	114.9	E1004	E1004-G1006 PolarHBondContact O-N 2.88Å; E1004-G1006 VanDerWaalsContact O-N 3.14Å
1007	I	34.2	Very low	35	Very low	138 Å²	138	127.9 Å²	127.9	71%	0.708	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-82.1	-23.2	-173.8	-60.1	175.8	0	0	0	112.1	E1004 A1005 F1009	E1004-I1007 PolarHBondContact O-N 3.18Å; E1004-I1007 VanDerWaalsContact O-N 3.14Å; A1005-I1007 PolarHBondContact O-N 3.07Å; I1007-F1009 VanDerWaalsContact C-N 3.3Å; I1007-F1009 PolarHBondContact O-N 3.25Å
1008	V	35.9	Very low	35.2	Very low	106 Å²	106	129.3 Å²	129.3	64%	0.642	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-72.7	-21.6	-176	-174.7	0	0	0	0	112.8	A1005 G1010	A1005-V1008 PolarHBondContact O-N 3.24Å; V1008-G1010 PolarHBondContact O-N 3.14Å; V1008-G1010 VanDerWaalsContact O-N 3.17Å
1009	F	40.2	Very low	35.3	Very low	144 Å²	144	125 Å²	125	63%	0.632	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-72.6	-6.7	-173.9	-64.8	-79.2	0	0	0	115.1	A1005 I1007	A1005-F1009 WeakPolarHBondContact O-CD2 3.1Å; A1005-F1009 VanDerWaalsContact O-CE2 3.29Å; A1005-F1009 WeakPolarHBondContact O-CE2 3.35Å; I1007-F1009 VanDerWaalsContact C-N 3.3Å; I1007-F1009 PolarHBondContact O-N 3.25Å
1010	G	33.3	Very low	34.8	Very low	79 Å²	79	124.5 Å²	124.5	81%	0.814	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-81.8	-6.1	-177	0	0	0	0	0	116.6	V1008	V1008-G1010 PolarHBondContact O-N 3.14Å; V1008-G1010 VanDerWaalsContact O-N 3.17Å
1011	S	35.8	Very low	35	Very low	84 Å²	84	125.4 Å²	125.4	59%	0.587	68%	0.681	S	S	*	*			trans	-133.3	19.4	-162.5	58	0	0	0	0	116.4	P1013	S1011-P1013 WeakPolarHBondContact O-CD 3.47Å
1012	L	35.8	Very low	35	Very low	97 Å²	97	121 Å²	121	51%	0.508	67%	0.672	S	S	.	*			trans	-74.9	117.8	172.4	-81.1	167.9	0	0	0	111.8	W955 I1014	W955-L1012 HydrophobicContact CH2-CD2 4.39Å; W955-L1012 HydrophobicContact CZ3-CD2 4.45Å; L1012-I1014 PolarHBondContact O-N 3.03Å; L1012-I1014 VanDerWaalsContact O-N 3.09Å
1013	P	33.8	Very low	34.9	Very low	52 Å²	52	124.2 Å²	124.2	34%	0.338	69%	0.688	S	S	.	*			trans	-82.2	91.3	179.8	33.2	-33.4	0	0	0	110.8	M958 S1011 Y1015	M958-P1013 HydrophobicContact CE-CG 4.11Å; S1011-P1013 WeakPolarHBondContact O-CD 3.47Å; P1013-Y1015 HydrophobicContact CB-CE2 3.76Å; P1013-Y1015 HydrophobicContact CG-CE2 4.12Å; P1013-Y1015 VanDerWaalsContact O-CD2 3.28Å; P1013-Y1015 WeakPolarHBondContact O-CD2 3.27Å; P1013-Y1015 WeakPolarHBondContact O-CE2 3.49Å; P1013-Y1015 PolarHBondContact O-N 2.65Å
1014	I	39.8	Very low	34.5	Very low	146 Å²	146	123.1 Å²	123.1	75%	0.749	68%	0.684	S	S	*	*			trans	-79.1	109	176.4	-57.5	174.5	0	0	0	109.6	L1012	L1012-I1014 PolarHBondContact O-N 3.03Å; L1012-I1014 VanDerWaalsContact O-N 3.09Å
1015	Y	39.3	Very low	34.2	Very low	159 Å²	159	125.2 Å²	125.2	62%	0.624	69%	0.691	S	S	*	*			trans	-94.9	126.2	176.6	-60.9	-75.4	0	0	0	111.7	P1013	P1013-Y1015 HydrophobicContact CB-CE2 3.76Å; P1013-Y1015 HydrophobicContact CG-CE2 4.12Å; P1013-Y1015 VanDerWaalsContact O-CD2 3.28Å; P1013-Y1015 WeakPolarHBondContact O-CD2 3.27Å; P1013-Y1015 WeakPolarHBondContact O-CE2 3.49Å; P1013-Y1015 PolarHBondContact O-N 2.65Å
1016	R	31.1	Very low	33.7	Very low	236 Å²	236	130.5 Å²	130.5	89%	0.891	71%	0.711	S	S	*	*			trans	-88.5	105.5	170.9	-175.5	179.7	-175.4	175.2	3.6	109.8
1017	I	32.5	Very low	33.3	Very low	113 Å²	113	133.7 Å²	133.7	58%	0.579	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-65.7	137.3	167.9	-57.8	177.7	0	0	0	108.5	S1019	I1017-S1019 PolarHBondContact O-N 3.07Å
1018	S	31	Very low	33	Very low	108 Å²	108	134.7 Å²	134.7	76%	0.755	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-69.5	116.6	175.5	49.6	0	0	0	0	110.6
1019	S	32	Very low	32.7	Very low	92 Å²	92	137.5 Å²	137.5	64%	0.643	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-57.3	140.3	174.8	50	0	0	0	0	111.8	I1017	I1017-S1019 PolarHBondContact O-N 3.07Å
1020	P	28.6	Very low	32.1	Very low	119 Å²	119	134.2 Å²	134.2	77%	0.773	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-60.6	138.5	-179.4	25.6	-34.6	0	0	0	111.6	S1022	P1020-S1022 PolarHBondContact O-N 3.47Å
1021	T	36.9	Very low	31.7	Very low	154 Å²	154	137.2 Å²	137.2	95%	0.945	75%	0.746	S	S	*	*	S	Bend	trans	-80.7	41.6	-166.6	-33.1	0	0	0	0	113.8
1022	S	38.3	Very low	31.3	Very low	99 Å²	99	141.3 Å²	141.3	69%	0.692	76%	0.756	S	S	*	*			trans	-148.9	60.9	-175.3	-170.3	0	0	0	0	114.3	P1020	P1020-S1022 PolarHBondContact O-N 3.47Å
1023	L	31.7	Very low	30.9	Very low	179 Å²	179	140.8 Å²	140.8	94%	0.937	77%	0.765	S	S	*	*			trans	-126.3	74.7	155.7	-76.9	178.4	0	0	0	109.9
1024	R	30.8	Very low	30.5	Very low	219 Å²	219	147.4 Å²	147.4	83%	0.826	79%	0.792	S	S	*	*			trans	-137.2	146.8	160.4	-73.9	-171.1	175.5	-172.6	-1.7	107.5
1025	F	28.4	Very low	29.9	Very low	197 Å²	197	149.3 Å²	149.3	86%	0.864	80%	0.795	S	S	*	*			trans	68.1	81.6	-174	-49.7	-75.4	0	0	0	114.6
1026	L	25	Very low	29.4	Very low	168 Å²	168	149.2 Å²	149.2	88%	0.88	81%	0.805	S	S	*	*	P	Polyproline II helix		-91.6	141	122.5	-75	172.3	0	0	0	107.1
1027	P	26	Very low	29.1	Very low	118 Å²	118	143.9 Å²	143.9	77%	0.766	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-77.4	143.7	-175.6	31.2	-34.4	0	0	0	111.7
1028	L	26.3	Very low	29	Very low	160 Å²	160	143.7 Å²	143.7	84%	0.838	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-99.4	137.7	159.8	-86	168.8	0	0	0	108.7
1029	I	30.3	Very low	28.8	Very low	165 Å²	165	146.7 Å²	146.7	85%	0.846	82%	0.82	S	S	*	*			trans	76	133.3	167.7	-54.2	154.2	0	0	0	115.4
1030	G	27.1	Very low	28.6	Very low	74 Å²	74	145.2 Å²	145.2	76%	0.763	82%	0.82	S	S	*	*			trans	-166.7	72.3	172.4	0	0	0	0	0	111.3
1031	V	25.1	Very low	28.6	Very low	142 Å²	142	147.8 Å²	147.8	86%	0.861	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-75.1	156.3	157.4	174.3	0	0	0	0	108.1
1032	E	27.5	Very low	28.1	Very low	171 Å²	171	147.1 Å²	147.1	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.1	166.5	-146.9	-65.1	-179.9	103	0	0	118.4
1033	A	28.3	Very low	27.7	Very low	85 Å²	85	146.3 Å²	146.3	70%	0.702	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-59.2	155.7	-176.9	0	0	0	0	0	117
1034	Q	25.6	Very low	27.5	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	82%	0.824	S	S	*	*				-127.3	123.3	111.9	-69.4	-160.9	2.9	0	0	107.9
1035	K	27.3	Very low	27.6	Very low	186 Å²	186	145.1 Å²	145.1	81%	0.809	82%	0.821	S	S	*	*				93.5	127.3	56.6	-161.1	176.3	-164.2	177.7	0	110.9
1036	D	27.3	Very low	27.6	Very low	156 Å²	156	145.2 Å²	145.2	83%	0.834	82%	0.821	S	S	*	*			trans	-77.6	153.8	-160.6	-50.8	-93.6	0	0	0	115
1037	S	25.4	Very low	27.6	Very low	124 Å²	124	141.3 Å²	141.3	87%	0.867	82%	0.822	S	S	*	*			trans	-151.5	127.1	133.5	44.8	0	0	0	0	110.1
1038	S	29.8	Very low	27.7	Very low	109 Å²	109	139 Å²	139	76%	0.762	82%	0.819	S	S	*	*			trans	-95	125.9	169.1	56.8	0	0	0	0	109.3
1039	D	27.2	Very low	27.8	Very low	172 Å²	172	140.6 Å²	140.6	92%	0.92	82%	0.822	S	S	*	*			trans	-156.9	160.1	142.2	-121.9	-33.4	0	0	0	111.8
1040	G	27.7	Very low	27.8	Very low	61 Å²	61	138.3 Å²	138.3	63%	0.629	82%	0.815	S	S	*	*			trans	-105.2	-142.8	-166.8	0	0	0	0	0	116
1041	I	28.5	Very low	27.8	Very low	173 Å²	173	142.1 Å²	142.1	89%	0.887	81%	0.814	S	S	*	*			trans	86.8	151.2	173.9	-55	173.6	0	0	0	115.4
1042	T	27.7	Very low	28	Very low	140 Å²	140	143 Å²	143	86%	0.859	81%	0.808	S	S	*	*			trans	-105	149.7	-164.9	66.4	0	0	0	0	112.7
1043	G	29	Very low	28	Very low	82 Å²	82	143.1 Å²	143.1	85%	0.845	81%	0.808	S	S	*	*			trans	-153.2	130.3	177.8	0	0	0	0	0	113.6
1044	K	28.5	Very low	28	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	81%	0.814	S	S	*	*			trans	-113.8	145.3	-172.3	-97.4	170.2	179	162.1	0	112.6
1045	K	31.1	Very low	28.1	Very low	178 Å²	178	146.4 Å²	146.4	77%	0.774	82%	0.816	S	S	*	*			trans	80.6	123.8	146.8	-71.9	169.8	175.6	178.6	0	122.1
1046	K	28.2	Very low	28	Very low	198 Å²	198	142.1 Å²	142.1	86%	0.861	81%	0.81	S	S	*	*				71.7	115.3	125.9	-70.4	-171.5	168.7	-164.4	0	122.8
1047	G	26.5	Very low	28.1	Very low	86 Å²	86	146.6 Å²	146.6	89%	0.887	82%	0.815	S	S	*	*				93.2	143.1	127.2	0	0	0	0	0	118.2
1048	G	27.7	Very low	28.1	Very low	69 Å²	69	151.6 Å²	151.6	71%	0.711	82%	0.815	S	S	*	*			cis	163.6	143.1	-13.2	0	0	0	0	0	114.8
1049	H	28.9	Very low	28.1	Very low	194 Å²	194	158.5 Å²	158.5	90%	0.898	82%	0.824	S	S	*	*			trans	65.3	156.9	172.2	-72.6	-36.2	0	0	0	115.8
1050	V	29.3	Very low	28.1	Very low	117 Å²	117	155.1 Å²	155.1	71%	0.709	81%	0.814	S	S	*	*			cis	-161.3	156.4	0.1	109.1	0	0	0	0	106.5
1051	Q	28	Very low	28.2	Very low	155 Å²	155	160.9 Å²	160.9	72%	0.724	83%	0.83	S	S	*	*			cis	-161.8	151.4	-9.1	-172.9	165.4	-98	0	0	109.5
1052	H	29.5	Very low	28.1	Very low	159 Å²	159	162.1 Å²	162.1	74%	0.736	83%	0.828	S	S	*	*			trans	-169.7	179.9	132.3	-106.3	-72.9	0	0	0	109.9
1053	E	27.4	Very low	28.2	Very low	174 Å²	174	164.9 Å²	164.9	81%	0.813	83%	0.828	S	S	*	*			trans	-84.6	164.7	-145.1	-73.3	148	104.4	0	0	117.9
1054	K	27.6	Very low	28	Very low	191 Å²	191	167.7 Å²	167.7	83%	0.83	82%	0.824	S	S	*	*			trans	-124	134.7	-175.3	-68.8	176	178.4	171.6	0	112
1055	V	26.6	Very low	27.9	Very low	155 Å²	155	165.6 Å²	165.6	94%	0.939	82%	0.822	S	S	*	*			trans	-124.4	107.2	149.3	179.5	0	0	0	0	108
1056	S	26.1	Very low	27.7	Very low	96 Å²	96	163.7 Å²	163.7	67%	0.671	82%	0.824	S	S	*	*			trans	-95	107.4	-167.8	60.9	0	0	0	0	113.6	R1058	S1056-R1058 PolarHBondContact O-N 3.12Å; S1056-R1058 VanDerWaalsContact O-N 3.15Å
1057	R	29.2	Very low	27.7	Very low	250 Å²	250	159.2 Å²	159.2	94%	0.943	82%	0.816	S	S	*	*			trans	-69.3	103	161.1	-81.5	-176.9	169.3	177.1	-3.1	109.9	R1059	R1057-R1059 PolarHBondContact O-N 2.64Å
1058	R	25.5	Very low	27.7	Very low	229 Å²	229	164 Å²	164	86%	0.864	82%	0.815	S	S	*	*			trans	-69.5	107.8	170.7	-81.4	-177.9	169.4	173	-2.6	110.4	S1056	S1056-R1058 PolarHBondContact O-N 3.12Å; S1056-R1058 VanDerWaalsContact O-N 3.15Å
1059	R	30.4	Very low	27.6	Very low	255 Å²	255	167.5 Å²	167.5	96%	0.962	82%	0.816	S	S	*	*			trans	-75.3	118.5	150.1	-81.5	-178.1	170.2	172.9	-3.1	107.5	R1057	R1057-R1059 PolarHBondContact O-N 2.64Å
1060	S	27.1	Very low	27.5	Very low	100 Å²	100	165.1 Å²	165.1	70%	0.699	81%	0.81	S	S	*	*			trans	-121.2	102.3	175.1	57.5	0	0	0	0	110.9	K1062	S1060-K1062 PolarHBondContact O-N 3.14Å
1061	L	30.1	Very low	27.3	Very low	183 Å²	183	167.6 Å²	167.6	96%	0.958	82%	0.818	S	S	*	*			trans	-66.4	112.9	163.2	-80.6	164.2	0	0	0	108.9
1062	K	26.3	Very low	27.3	Very low	198 Å²	198	164.3 Å²	164.3	86%	0.861	82%	0.818	S	S	*	*			trans	-132	131.1	155.8	-81.8	-163.8	172.9	-173	0	109.3	S1060	S1060-K1062 PolarHBondContact O-N 3.14Å
1063	K	28.4	Very low	27.3	Very low	198 Å²	198	162.6 Å²	162.6	86%	0.861	82%	0.824	S	S	*	*			trans	-58.3	147.7	165.1	-58.2	171.7	179.1	178.4	0	108.6
1064	N	26	Very low	27.3	Very low	142 Å²	142	159.4 Å²	159.4	76%	0.759	82%	0.821	S	S	*	*				-171.1	128.5	126.9	-96.7	-8	0	0	0	113.8
1065	L	26.8	Very low	27.2	Very low	151 Å²	151	160 Å²	160	79%	0.791	82%	0.823	S	S	*	*			trans	59.8	94.1	135.6	-56.7	170.4	0	0	0	119.1
1066	V	26.1	Very low	27.2	Very low	137 Å²	137	162.5 Å²	162.5	83%	0.83	82%	0.822	S	S	*	*			trans	-76.6	127.3	146.3	176.6	0	0	0	0	108.1	Q1068	V1066-Q1068 PolarHBondContact O-N 3.32Å
1067	P	28.7	Very low	27.5	Very low	105 Å²	105	163.4 Å²	163.4	68%	0.682	83%	0.826	S	S	*	*			trans	-77	114.3	175.6	29.7	-32.5	0	0	0	111	I1069	P1067-I1069 PolarHBondContact O-N 2.98Å
1068	Q	25.8	Very low	27.5	Very low	185 Å²	185	158 Å²	158	86%	0.864	82%	0.821	S	S	*	*			trans	-73.6	115.7	160.4	-73.8	-178.3	-64.3	0	0	108.7	V1066	V1066-Q1068 PolarHBondContact O-N 3.32Å
1069	I	26.4	Very low	27.8	Very low	144 Å²	144	154.9 Å²	154.9	74%	0.738	82%	0.819	S	S	*	*			trans	-92.8	108.6	168.9	-65.5	177.2	0	0	0	108	P1067	P1067-I1069 PolarHBondContact O-N 2.98Å
1070	N	25.8	Very low	28.1	Very low	144 Å²	144	148 Å²	148	77%	0.77	81%	0.808	S	S	*	*			trans	-67.2	134.8	168	-73.3	-31.1	0	0	0	109.8
1071	L	25.7	Very low	28.4	Very low	168 Å²	168	156.8 Å²	156.8	88%	0.88	83%	0.834	S	S	*	*			trans	-121	88.5	162.9	-74.2	175.1	0	0	0	108.1
1072	A	27.9	Very low	28.3	Very low	87 Å²	87	155.5 Å²	155.5	72%	0.719	83%	0.827	S	S	*	*			trans	-97.2	153.7	170.1	0	0	0	0	0	110.2
1073	S	28.4	Very low	28.4	Very low	123 Å²	123	153.3 Å²	153.3	86%	0.86	83%	0.826	S	S	*	*			trans	-54.4	137.5	-178.6	50.6	0	0	0	0	115
1074	S	28.3	Very low	28.4	Very low	107 Å²	107	150.8 Å²	150.8	75%	0.748	82%	0.824	S	S	*	*			trans	-150.2	80.2	166	65.4	0	0	0	0	112.6
1075	F	25.5	Very low	28.5	Very low	202 Å²	202	151.3 Å²	151.3	89%	0.886	83%	0.827	S	S	*	*			trans	-152.3	90	165.5	-100.9	-70.2	0	0	0	110.8
1076	F	27.7	Very low	28.6	Very low	208 Å²	208	151.3 Å²	151.3	91%	0.912	83%	0.83	S	S	*	*			trans	-170.3	135.1	142.2	-89.7	-59	0	0	0	107.7
1077	P	31.6	Very low	28.8	Very low	116 Å²	116	152.3 Å²	152.3	75%	0.753	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-88.6	137.9	-175.4	33.7	-33.3	0	0	0	112.6
1078	T	29.6	Very low	28.8	Very low	137 Å²	137	155.6 Å²	155.6	84%	0.84	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-99.2	123.7	166.9	50.6	0	0	0	0	110.3	P1080	T1078-P1080 WeakPolarHBondContact O-CD 3.49Å
1079	I	31.3	Very low	29	Very low	162 Å²	162	153.4 Å²	153.4	83%	0.831	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-86.4	123	-180	-64	168.8	0	0	0	109.9
1080	P	35.8	Very low	29.3	Very low	112 Å²	112	154.2 Å²	154.2	73%	0.727	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-83.1	163.9	158.3	35.4	-32.2	0	0	0	110.7	T1078	T1078-P1080 WeakPolarHBondContact O-CD 3.49Å
1081	K	33.6	Very low	29.6	Very low	284 Å²	284	155.1 Å²	155.1	100%	1.235	85%	0.854	S	S	*	*			trans	-64.9	0	174.5	-70.7	-175.2	177.1	-178	0	112.6

Retrieved 1,081 of 1,081 residues in 7007.6 ms (Link to these results)

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