A0A077Z0R9_TRITR Loading...

receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A077Z0R9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 593 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	45	Very low	213 Å²	213	151.9 Å²	151.9	100%	1.049	73%	0.728	S	S	*	*				0	-48.7	0	-150.3	175.7	-89.1	0	0	112.4	R3 F4	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.65Å; M1-F4 PolarHBondContact O-N 3.3Å
2	L	45.2	Very low	44	Very low	153 Å²	153	145 Å²	145	80%	0.801	73%	0.726	S	S	*	*	H	α-helix	trans	-58.9	-31.3	-179.7	-140.8	76	0	0	0	115.5	F4	L2-F4 VanDerWaalsContact C-N 3.3Å; L2-F4 PolarHBondContact O-N 2.71Å
3	R	44.7	Very low	43.4	Very low	228 Å²	228	142.5 Å²	142.5	86%	0.86	73%	0.729	S	S	*	*	H	α-helix	trans	-71.2	-19	176.5	-75	-176	175	170.9	-1.4	114.5	M1	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.65Å
4	F	49.1	Very low	42.8	Very low	168 Å²	168	142.4 Å²	142.4	74%	0.737	73%	0.73	S	S	*	*	H	α-helix	trans	-82.2	-37.9	-179.2	-132.8	-91	0	0	0	111.2	M1 L2 F6 R7	M1-F4 PolarHBondContact O-N 3.3Å; L2-F4 VanDerWaalsContact C-N 3.3Å; L2-F4 PolarHBondContact O-N 2.71Å; F4-F6 VanDerWaalsContact C-N 3.31Å; F4-F6 PolarHBondContact O-N 3.13Å; F4-R7 PolarHBondContact O-N 3.3Å
5	L	48.8	Very low	42.5	Very low	116 Å²	116	141 Å²	141	61%	0.607	74%	0.736	S	S	*	*	H	α-helix	trans	-63.6	-34.3	177.1	-78.6	160	0	0	0	112.8	R7 C8	L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.15Å; L5-C8 PolarHBondContact O-N 3.01Å
6	F	47.5	Very low	42.6	Very low	147 Å²	147	137 Å²	137	65%	0.645	73%	0.73	S	S	*	*	H	α-helix	trans	-72.3	-26.4	-178.8	-135.2	-94.2	0	0	0	113.6	F4 I10	F4-F6 VanDerWaalsContact C-N 3.31Å; F4-F6 PolarHBondContact O-N 3.13Å; F6-I10 HydrophobicContact CD1-CD1 3.87Å; F6-I10 HydrophobicContact CE1-CD1 4.04Å
7	R	42.9	Very low	42.9	Very low	203 Å²	203	134.1 Å²	134.1	77%	0.766	72%	0.723	S	S	*	*	H	α-helix	trans	-76.8	-31.8	176.7	-77.8	-173.8	173.1	-173.5	-2.7	112.5	F4 L5 V11	F4-R7 PolarHBondContact O-N 3.3Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.15Å; R7-V11 WeakPolarHBondContact O-CG2 3.44Å; R7-V11 PolarHBondContact O-N 3.43Å
8	C	45.3	Very low	43.6	Very low	89 Å²	89	136.2 Å²	136.2	60%	0.601	72%	0.719	S	S	*	*	H	α-helix	trans	-69.8	-33.2	177.5	-68.7	0	0	0	0	112.7	L5	L5-C8 PolarHBondContact O-N 3.01Å
9	L	43.7	Very low	44.6	Very low	133 Å²	133	130 Å²	130	70%	0.696	69%	0.688	S	S	*	*	H	α-helix	trans	-73.7	-32.6	179	-93.5	153.5	0	0	0	113.7
10	I	45.1	Very low	46.4	Very low	104 Å²	104	128.4 Å²	128.4	53%	0.533	67%	0.674	S	S	.	*	H	α-helix	trans	-80	-31.4	-177.4	-63.4	174.9	0	0	0	112	F6 G12	F6-I10 HydrophobicContact CD1-CD1 3.87Å; F6-I10 HydrophobicContact CE1-CD1 4.04Å; I10-G12 VanDerWaalsContact C-N 3.33Å
11	V	40	Very low	48.4	Very low	117 Å²	117	122.3 Å²	122.3	71%	0.709	64%	0.643	S	S	*	*	H	α-helix	trans	-76.2	-22.9	179.6	-179.4	0	0	0	0	112	R7 C13	R7-V11 WeakPolarHBondContact O-CG2 3.44Å; R7-V11 PolarHBondContact O-N 3.43Å; V11-C13 VanDerWaalsContact C-N 3.29Å; V11-C13 PolarHBondContact O-N 3.36Å
12	G	32.9	Very low	50.8	Low	69 Å²	69	112.7 Å²	112.7	71%	0.711	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-16	176.6	0	0	0	0	0	115.3	I10	I10-G12 VanDerWaalsContact C-N 3.33Å
13	C	36.7	Very low	53.1	Low	113 Å²	113	105.6 Å²	105.6	76%	0.764	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	2.1	-172.3	-91.6	0	0	0	0	115.8	V11	V11-C13 VanDerWaalsContact C-N 3.29Å; V11-C13 PolarHBondContact O-N 3.36Å
14	L	34.7	Very low	55.5	Low	140 Å²	140	96.8 Å²	96.8	73%	0.733	53%	0.526	S	S	*	.	S	Bend	trans	-123.1	112.9	-177.9	-70.4	166.3	0	0	0	111.5
15	C	38.2	Very low	57.5	Low	122 Å²	122	89 Å²	89	82%	0.824	49%	0.493	S	S	*	.			trans	89.4	36.6	163	-59.8	0	0	0	0	119.8	S17	C15-S17 PolarHBondContact O-N 2.77Å
16	A	44.2	Very low	59.5	Low	77 Å²	77	84.4 Å²	84.4	64%	0.636	47%	0.47	S	S	*	.			trans	-70.2	96.9	139.3	0	0	0	0	0	106.1	W18	A16-W18 PolarHBondContact O-N 2.62Å; A16-W18 VanDerWaalsContact O-N 3.14Å
17	S	47.4	Very low	61.5	Low	88 Å²	88	79.5 Å²	79.5	62%	0.615	45%	0.451	S	S	*	.			trans	-69	104.6	163.3	45	0	0	0	0	105.1	C15 W136	C15-S17 PolarHBondContact O-N 2.77Å; S17-W136 WeakPolarHBondContact O-CH2 3.47Å; S17-W136 WeakPolarHBondContact O-CZ3 3.3Å
18	W	55.8	Low	63.7	Low	172 Å²	172	76.5 Å²	76.5	65%	0.652	45%	0.445	S	S	*	.			trans	-77.1	136.8	172.2	-67.3	66.5	0	0	0	106.9	A16 K20 L47	A16-W18 PolarHBondContact O-N 2.62Å; A16-W18 VanDerWaalsContact O-N 3.14Å; W18-K20 PolarHBondContact O-N 3.49Å; W18-L47 HydrophobicContact CE3-CD2 4.34Å; W18-L47 HydrophobicContact CZ3-CD2 3.85Å
19	C	63.1	Low	65.9	Low	18 Å²	18	72.8 Å²	72.8	12%	0.122	42%	0.419	C	S	.	.			trans	-61	104	175.1	-164	0	0	0	0	108.3	V21 D45 G46 W136	C19-V21 PolarHBondContact O-N 3Å; C19-V21 WeakPolarHBondContact SG-CG2 3.26Å; C19-D45 CarbonylContact O-C 3.47Å; C19-G46 WeakPolarHBondContact O-CA 3.14Å; C19-G46 PolarHBondContact O-N 2.98Å; C19-W136 HydrophobicContact CB-CD2 3.68Å; C19-W136 HydrophobicContact CB-CE3 3.23Å; C19-W136 HydrophobicContact CB-CG 4.25Å; C19-W136 HydrophobicContact CB-CZ3 3.71Å; C19-W136 VanDerWaalsContact SG-CB 3.52Å
20	K	80.8	Confident	68	Low	98 Å²	98	66.7 Å²	66.7	43%	0.426	39%	0.387	S	S	.	.			trans	-82.2	74	-179.4	-66.9	-168.6	178.3	-164.8	0	110.3	W18 T72 R73	W18-K20 PolarHBondContact O-N 3.49Å; K20-T72 CarbonylContact O-C 3.59Å; K20-T72 WeakPolarHBondContact O-CA 3.48Å; K20-R73 HydrophobicContact CB-CB 3.81Å; K20-R73 HydrophobicContact CB-CG 4.47Å; K20-R73 HydrophobicContact CD-CB 4.25Å; K20-R73 PolarHBondContact O-N 2.69Å
21	V	88.8	Confident	70	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.3	173.8	169	0	0	0	0	108.6	C19 V43 G46 V78 M105 Y134	C19-V21 PolarHBondContact O-N 3Å; C19-V21 WeakPolarHBondContact SG-CG2 3.26Å; V21-V43 HydrophobicContact CG1-CG1 4.4Å; V21-V43 VanDerWaalsContact O-CG1 3.31Å; V21-V43 WeakPolarHBondContact O-CG1 3.23Å; V21-G46 PolarHBondContact O-N 3.34Å; V21-V78 HydrophobicContact CG2-CG1 4.34Å; V21-V78 HydrophobicContact CG2-CG2 4.36Å; V21-M105 HydrophobicContact CB-SD 4.24Å; V21-M105 HydrophobicContact CG1-CE 3.83Å; V21-M105 HydrophobicContact CG1-SD 3.55Å; V21-M105 VanDerWaalsContact CG1-SD 3.55Å; V21-M105 HydrophobicContact CG2-CE 4.5Å; V21-M105 HydrophobicContact CG2-SD 3.73Å; V21-Y134 HydrophobicContact CB-CE2 4.21Å; V21-Y134 HydrophobicContact CG1-CE1 4.31Å; V21-Y134 HydrophobicContact CG1-CE2 4.33Å; V21-Y134 HydrophobicContact CG2-CD2 4.19Å; V21-Y134 HydrophobicContact CG2-CE2 4.07Å
22	D	91.8	Very high	72.2	Confident	11 Å²	11	67.2 Å²	67.2	6%	0.059	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.6	172	-61.9	-39.2	0	0	0	108.6	F24 V43 E44 D45 W70 V71 R73	D22-F24 HydrophobicContact CB-CD1 4.19Å; D22-F24 HydrophobicContact CB-CE1 4.27Å; D22-V43 WeakPolarHBondContact CA-O 3.22Å; D22-E44 WeakPolarHBondContact OD1-CA 3.41Å; D22-D45 PolarHBondContact OD1-N 3.21Å; D22-W70 WeakPolarHBondContact O-CA 3.46Å; D22-W70 WeakPolarHBondContact O-CB 3.38Å; D22-V71 HydrophobicContact CB-CG1 3.94Å; D22-V71 PolarHBondContact N-O 3.16Å; D22-V71 PolarHBondContact O-N 2.79Å; D22-V71 VanDerWaalsContact O-N 3.09Å; D22-R73 IonicContact OD2-CZ 2.65Å; D22-R73 IonicContact OD2-NE 2.82Å; D22-R73 IonicContact OD2-NH1 2.83Å; D22-R73 IonicContact OD2-NH2 2.78Å; D22-R73 PolarHBondContact OD2-NH2 3.39Å
23	L	94.5	Very high	74.8	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	115.3	172.1	173.9	64.9	0	0	0	108.7	Y42 V43 F68 Q69 W70 F112 V132 V145 I147	L23-Y42 WeakPolarHBondContact O-CB 3.38Å; L23-Y42 PolarHBondContact O-N 3.1Å; L23-V43 HydrophobicContact CB-CB 4.09Å; L23-V43 HydrophobicContact CB-CG2 4.04Å; L23-V43 PolarHBondContact N-O 2.81Å; L23-V43 PolarHBondContact O-N 2.92Å; L23-F68 HydrophobicContact CD1-CB 4.35Å; L23-Q69 WeakPolarHBondContact CA-O 3.27Å; L23-W70 HydrophobicContact CD1-CB 3.99Å; L23-F112 HydrophobicContact CD1-CE1 4.15Å; L23-F112 HydrophobicContact CD1-CZ 4.32Å; L23-V132 HydrophobicContact CD2-CB 4.27Å; L23-V132 HydrophobicContact CD2-CG1 4.27Å; L23-V132 HydrophobicContact CD2-CG2 4.23Å; L23-V145 HydrophobicContact CD2-CG1 4.32Å; L23-I147 HydrophobicContact CD2-CD1 4.07Å
24	F	93.9	Very high	77	Confident	43 Å²	43	61.9 Å²	61.9	19%	0.189	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	170.3	-171.9	63.3	-85.4	0	0	0	112.5	D22 L40 A41 Q69 L109	D22-F24 HydrophobicContact CB-CD1 4.19Å; D22-F24 HydrophobicContact CB-CE1 4.27Å; F24-L40 CarbonylContact C-O 3.55Å; F24-L40 VanDerWaalsContact CA-O 3.29Å; F24-L40 WeakPolarHBondContact CA-O 3.17Å; F24-L40 WeakPolarHBondContact CB-O 3.27Å; F24-A41 HydrophobicContact CB-CB 4.11Å; F24-Q69 HydrophobicContact CD2-CB 4.24Å; F24-Q69 HydrophobicContact CE1-CB 4.19Å; F24-Q69 HydrophobicContact CE2-CB 3.84Å; F24-Q69 HydrophobicContact CZ-CB 3.81Å; F24-Q69 PolarHBondContact N-O 3.11Å; F24-Q69 PolarHBondContact O-N 2.79Å; F24-L109 HydrophobicContact CE1-CD1 4.03Å; F24-L109 HydrophobicContact CZ-CD1 3.8Å
25	V	92.1	Very high	79.3	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.5	171.8	176.8	0	0	0	0	107.4	E29 V30 L40 Y42 F68	V25-E29 HydrophobicContact CG1-CB 3.57Å; V25-E29 HydrophobicContact CG1-CG 3.33Å; V25-V30 HydrophobicContact CB-CG2 4.08Å; V25-V30 HydrophobicContact CG1-CG2 3.7Å; V25-L40 HydrophobicContact CB-CB 4.43Å; V25-L40 PolarHBondContact N-O 3.13Å; V25-L40 PolarHBondContact O-N 3.33Å; V25-L40 VanDerWaalsContact O-N 3.12Å; V25-Y42 HydrophobicContact CG2-CE2 3.78Å; V25-F68 HydrophobicContact CG2-CD1 3.63Å; V25-F68 HydrophobicContact CG2-CE1 3.74Å; V25-F68 HydrophobicContact CG2-CG 4.45Å
26	S	90.3	Very high	81.2	Confident	19 Å²	19	57 Å²	57	13%	0.133	30%	0.301	C	S	.	.			trans	-64.5	160.7	-177.2	87.7	0	0	0	0	111.5	E28 E29 V30	S26-E28 VanDerWaalsContact C-N 3.29Å; S26-E28 VanDerWaalsContact CB-OE2 3.27Å; S26-E28 WeakPolarHBondContact CB-OE2 3.35Å; S26-E28 PolarHBondContact O-N 3.45Å; S26-E28 PolarHBondContact OG-OE2 2.83Å; S26-E29 PolarHBondContact O-N 3.3Å; S26-E29 VanDerWaalsContact O-N 3.14Å; S26-E29 PolarHBondContact OG-N 3.22Å; S26-V30 WeakPolarHBondContact O-CG2 3.46Å; S26-V30 PolarHBondContact O-N 2.8Å
27	N	90	Very high	83.1	Confident	44 Å²	44	59.1 Å²	59.1	24%	0.235	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-41.7	-179.3	-176.5	-7.1	0	0	0	111.5	E29 V30 K31 N37 T38 T39	N27-E29 PolarHBondContact O-N 3Å; N27-V30 PolarHBondContact O-N 3.29Å; N27-K31 VanDerWaalsContact O-CB 3.27Å; N27-K31 WeakPolarHBondContact O-CB 3.29Å; N27-K31 PolarHBondContact O-N 3.36Å; N27-N37 PolarHBondContact ND2-OD1 2.72Å; N27-N37 VanDerWaalsContact OD1-C 3.26Å; N27-N37 WeakPolarHBondContact OD1-CA 3.4Å; N27-N37 PolarHBondContact OD1-OD1 2.92Å; N27-T38 WeakPolarHBondContact CA-O 3.3Å; N27-T38 PolarHBondContact OD1-N 2.74Å; N27-T39 HydrophobicContact CB-CG2 3.94Å
28	E	88.6	Confident	84.9	Confident	139 Å²	139	58.3 Å²	58.3	65%	0.65	29%	0.293	S	S	*	.	H	α-helix	trans	-58.2	-39.9	177.7	-56.6	74.7	-158.7	0	0	111.5	S26 R32	S26-E28 VanDerWaalsContact C-N 3.29Å; S26-E28 VanDerWaalsContact CB-OE2 3.27Å; S26-E28 WeakPolarHBondContact CB-OE2 3.35Å; S26-E28 PolarHBondContact O-N 3.45Å; S26-E28 PolarHBondContact OG-OE2 2.83Å; E28-R32 WeakPolarHBondContact O-CB 3.47Å; E28-R32 PolarHBondContact O-N 3.07Å
29	E	90.5	Very high	86.3	Confident	12 Å²	12	54.2 Å²	54.2	6%	0.056	29%	0.287	C	S	.	.	H	α-helix	trans	-76.3	-39.8	-179.9	-179.3	67.1	174.8	0	0	112.4	V25 S26 N27 K31 R32 V33 L66 F67	V25-E29 HydrophobicContact CG1-CB 3.57Å; V25-E29 HydrophobicContact CG1-CG 3.33Å; S26-E29 PolarHBondContact O-N 3.3Å; S26-E29 VanDerWaalsContact O-N 3.14Å; S26-E29 PolarHBondContact OG-N 3.22Å; N27-E29 PolarHBondContact O-N 3Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.41Å; E29-R32 PolarHBondContact O-N 2.96Å; E29-R32 IonicContact OE1-CZ 3.36Å; E29-R32 IonicContact OE1-NE 2.61Å; E29-R32 IonicContact OE1-NH2 2.7Å; E29-R32 PolarHBondContact OE1-NH2 3.11Å; E29-R32 IonicContact OE2-CZ 2.78Å; E29-R32 IonicContact OE2-NE 3.72Å; E29-R32 PolarHBondContact OE2-NE 3.5Å; E29-R32 IonicContact OE2-NH2 3.85Å; E29-R32 PolarHBondContact OE2-NH2 2.82Å; E29-V33 HydrophobicContact CG-CG2 4.39Å; E29-V33 WeakPolarHBondContact O-CB 3.45Å; E29-V33 VanDerWaalsContact O-CG2 3.29Å; E29-V33 WeakPolarHBondContact O-CG2 3.41Å; E29-V33 PolarHBondContact O-N 3.2Å; E29-L66 WeakPolarHBondContact OE1-CA 3.43Å; E29-F67 HydrophobicContact CG-CB 4.23Å; E29-F67 PolarHBondContact OE1-N 3.24Å
30	V	88	Confident	87.6	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-42.5	172	174.6	0	0	0	0	110.4	V25 S26 N27 R32 V33 L34 G35 L36 T38 L40	V25-V30 HydrophobicContact CB-CG2 4.08Å; V25-V30 HydrophobicContact CG1-CG2 3.7Å; S26-V30 WeakPolarHBondContact O-CG2 3.46Å; S26-V30 PolarHBondContact O-N 2.8Å; N27-V30 PolarHBondContact O-N 3.29Å; V30-R32 VanDerWaalsContact C-N 3.32Å; V30-R32 PolarHBondContact O-N 3.22Å; V30-V33 PolarHBondContact O-N 3.05Å; V30-L34 HydrophobicContact CG1-CB 4.47Å; V30-L34 HydrophobicContact CG1-CD1 4.25Å; V30-L34 WeakPolarHBondContact O-CA 3.48Å; V30-L34 WeakPolarHBondContact O-CB 3.3Å; V30-L34 PolarHBondContact O-N 3.48Å; V30-G35 PolarHBondContact O-N 3.39Å; V30-L36 CarbonylContact C-O 3.41Å; V30-L36 HydrophobicContact CG1-CB 4.1Å; V30-T38 WeakPolarHBondContact CB-O 3.33Å; V30-T38 HydrophobicContact CG1-CG2 3.91Å; V30-T38 WeakPolarHBondContact CG1-O 3.46Å; V30-T38 WeakPolarHBondContact CG2-O 3.44Å; V30-L40 HydrophobicContact CG2-CB 3.72Å
31	K	87.3	Confident	88.1	Confident	123 Å²	123	51.6 Å²	51.6	54%	0.535	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-38.7	175.6	-171.7	177.1	179.4	179.6	0	111.7	N27 E29 G35 L36	N27-K31 VanDerWaalsContact O-CB 3.27Å; N27-K31 WeakPolarHBondContact O-CB 3.29Å; N27-K31 PolarHBondContact O-N 3.36Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.41Å; K31-G35 WeakPolarHBondContact O-CA 3.36Å; K31-G35 PolarHBondContact O-N 2.84Å; K31-L36 WeakPolarHBondContact CA-O 3.4Å; K31-L36 WeakPolarHBondContact CB-O 3.47Å; K31-L36 PolarHBondContact N-O 3.01Å; K31-L36 VanDerWaalsContact N-O 3.15Å
32	R	86.9	Confident	88.3	Confident	109 Å²	109	51.7 Å²	51.7	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-67.4	-39.9	177.1	-169.2	179.2	71.6	91.2	1.8	112.7	E28 E29 V30 I63 Q65	E28-R32 WeakPolarHBondContact O-CB 3.47Å; E28-R32 PolarHBondContact O-N 3.07Å; E29-R32 PolarHBondContact O-N 2.96Å; E29-R32 IonicContact OE1-CZ 3.36Å; E29-R32 IonicContact OE1-NE 2.61Å; E29-R32 IonicContact OE1-NH2 2.7Å; E29-R32 PolarHBondContact OE1-NH2 3.11Å; E29-R32 IonicContact OE2-CZ 2.78Å; E29-R32 IonicContact OE2-NE 3.72Å; E29-R32 PolarHBondContact OE2-NE 3.5Å; E29-R32 IonicContact OE2-NH2 3.85Å; E29-R32 PolarHBondContact OE2-NH2 2.82Å; V30-R32 VanDerWaalsContact C-N 3.32Å; V30-R32 PolarHBondContact O-N 3.22Å; R32-I63 WeakPolarHBondContact O-CD1 3.27Å; R32-Q65 PolarHBondContact NH2-O 3.48Å
33	V	87.2	Confident	88.2	Confident	11 Å²	11	51.2 Å²	51.2	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-88.6	-38.9	-174.4	-178.2	0	0	0	0	112.4	E29 V30 V59 I63 L66	E29-V33 HydrophobicContact CG-CG2 4.39Å; E29-V33 WeakPolarHBondContact O-CB 3.45Å; E29-V33 VanDerWaalsContact O-CG2 3.29Å; E29-V33 WeakPolarHBondContact O-CG2 3.41Å; E29-V33 PolarHBondContact O-N 3.2Å; V30-V33 PolarHBondContact O-N 3.05Å; V33-V59 HydrophobicContact CG1-CG2 4.43Å; V33-I63 HydrophobicContact CB-CD1 4.31Å; V33-I63 HydrophobicContact CG2-CD1 4.1Å; V33-I63 HydrophobicContact CG2-CG2 4.43Å; V33-L66 HydrophobicContact CG1-CD2 4.15Å; V33-L66 HydrophobicContact CG2-CD2 3.7Å
34	L	84.1	Confident	87.8	Confident	59 Å²	59	57 Å²	57	31%	0.309	30%	0.304	S	S	.	.	H	α-helix	trans	-117.2	-8.6	-171.9	-51.5	-177.7	0	0	0	114.4	V30 L36 V57	V30-L34 HydrophobicContact CG1-CB 4.47Å; V30-L34 HydrophobicContact CG1-CD1 4.25Å; V30-L34 WeakPolarHBondContact O-CA 3.48Å; V30-L34 WeakPolarHBondContact O-CB 3.3Å; V30-L34 PolarHBondContact O-N 3.48Å; L34-L36 HydrophobicContact CB-CD1 4.32Å; L34-L36 HydrophobicContact CB-CG 4.25Å; L34-L36 PolarHBondContact O-N 3.33Å; L34-V57 HydrophobicContact CD1-CG1 3.77Å; L34-V57 HydrophobicContact CD2-CG1 3.11Å; L34-V57 HydrophobicContact CG-CG1 4.04Å
35	G	81.5	Confident	87.3	Confident	61 Å²	61	58.1 Å²	58.1	63%	0.629	31%	0.312	S	S	*	.	S	Bend	trans	72.8	8.3	-175.7	0	0	0	0	0	114.4	V30 K31	V30-G35 PolarHBondContact O-N 3.39Å; K31-G35 WeakPolarHBondContact O-CA 3.36Å; K31-G35 PolarHBondContact O-N 2.84Å
36	L	79.6	Confident	86.7	Confident	99 Å²	99	59 Å²	59	52%	0.518	32%	0.322	S	S	.	.			trans	-100.3	139.6	-177	-61	175.9	0	0	0	111.4	V30 K31 L34 T38	V30-L36 CarbonylContact C-O 3.41Å; V30-L36 HydrophobicContact CG1-CB 4.1Å; K31-L36 WeakPolarHBondContact CA-O 3.4Å; K31-L36 WeakPolarHBondContact CB-O 3.47Å; K31-L36 PolarHBondContact N-O 3.01Å; K31-L36 VanDerWaalsContact N-O 3.15Å; L34-L36 HydrophobicContact CB-CD1 4.32Å; L34-L36 HydrophobicContact CB-CG 4.25Å; L34-L36 PolarHBondContact O-N 3.33Å; L36-T38 HydrophobicContact CB-CG2 4.26Å; L36-T38 PolarHBondContact O-N 3.45Å
37	N	83.8	Confident	86.3	Confident	121 Å²	121	63 Å²	63	65%	0.647	34%	0.341	S	S	*	.	S	Bend	trans	-94	70.4	-179.5	-163.1	22.5	0	0	0	110.7	N27	N27-N37 PolarHBondContact ND2-OD1 2.72Å; N27-N37 VanDerWaalsContact OD1-C 3.26Å; N27-N37 WeakPolarHBondContact OD1-CA 3.4Å; N27-N37 PolarHBondContact OD1-OD1 2.92Å
38	T	84.5	Confident	86.1	Confident	72 Å²	72	64.2 Å²	64.2	44%	0.442	35%	0.347	S	S	.	.	S	Bend	trans	-153.2	159.4	-178.2	-170.6	0	0	0	0	110.6	N27 V30 L36	N27-T38 WeakPolarHBondContact CA-O 3.3Å; N27-T38 PolarHBondContact OD1-N 2.74Å; V30-T38 WeakPolarHBondContact CB-O 3.33Å; V30-T38 HydrophobicContact CG1-CG2 3.91Å; V30-T38 WeakPolarHBondContact CG1-O 3.46Å; V30-T38 WeakPolarHBondContact CG2-O 3.44Å; L36-T38 HydrophobicContact CB-CG2 4.26Å; L36-T38 PolarHBondContact O-N 3.45Å
39	T	86	Confident	85.9	Confident	86 Å²	86	60.2 Å²	60.2	53%	0.528	33%	0.331	S	S	.	.			trans	-85.5	154.8	166.2	52.7	0	0	0	0	110.2	N27	N27-T39 HydrophobicContact CB-CG2 3.94Å
40	L	89.6	Confident	85.5	Confident	40 Å²	40	64.3 Å²	64.3	21%	0.209	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	101.8	175.5	-179.5	62.2	0	0	0	109.7	F24 V25 V30 Y42 A52	F24-L40 CarbonylContact C-O 3.55Å; F24-L40 VanDerWaalsContact CA-O 3.29Å; F24-L40 WeakPolarHBondContact CA-O 3.17Å; F24-L40 WeakPolarHBondContact CB-O 3.27Å; V25-L40 HydrophobicContact CB-CB 4.43Å; V25-L40 PolarHBondContact N-O 3.13Å; V25-L40 PolarHBondContact O-N 3.33Å; V25-L40 VanDerWaalsContact O-N 3.12Å; V30-L40 HydrophobicContact CG2-CB 3.72Å; L40-Y42 HydrophobicContact CD2-CE1 4.4Å; L40-Y42 HydrophobicContact CD2-CE2 4.4Å; L40-Y42 VanDerWaalsContact CD2-OH 3.22Å; L40-Y42 WeakPolarHBondContact CD2-OH 3.44Å; L40-Y42 HydrophobicContact CG-CE2 4.35Å; L40-A52 HydrophobicContact CD1-CB 3.86Å
41	A	91.2	Very high	85.2	Confident	20 Å²	20	72.5 Å²	72.5	17%	0.165	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127	177	0	0	0	0	0	111.4	F24 E44 N49	F24-A41 HydrophobicContact CB-CB 4.11Å; A41-E44 HydrophobicContact CB-CB 4.43Å; A41-N49 WeakPolarHBondContact O-CB 3.22Å; A41-N49 PolarHBondContact O-ND2 3.18Å; A41-N49 VanDerWaalsContact O-ND2 3.12Å
42	Y	92.3	Very high	85	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.016	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-36.7	172.9	-63.2	-78.4	0	0	0	111.6	L23 V25 L40 N49 A52 L53 F68 I147 R149	L23-Y42 WeakPolarHBondContact O-CB 3.38Å; L23-Y42 PolarHBondContact O-N 3.1Å; V25-Y42 HydrophobicContact CG2-CE2 3.78Å; L40-Y42 HydrophobicContact CD2-CE1 4.4Å; L40-Y42 HydrophobicContact CD2-CE2 4.4Å; L40-Y42 VanDerWaalsContact CD2-OH 3.22Å; L40-Y42 WeakPolarHBondContact CD2-OH 3.44Å; L40-Y42 HydrophobicContact CG-CE2 4.35Å; Y42-N49 PolarHBondContact O-N 3.31Å; Y42-A52 HydrophobicContact CD1-CB 4.1Å; Y42-A52 HydrophobicContact CE1-CB 4.38Å; Y42-L53 HydrophobicContact CD1-CD2 3.68Å; Y42-L53 HydrophobicContact CD1-CG 4.39Å; Y42-L53 HydrophobicContact CG-CD2 4.43Å; Y42-F68 HydrophobicContact CE2-CD1 4.33Å; Y42-F68 AromaticContact CE2-CE1 3.96Å; Y42-F68 HydrophobicContact CE2-CE1 3.96Å; Y42-I147 HydrophobicContact CD1-CD1 4.16Å; Y42-I147 HydrophobicContact CD1-CG1 3.88Å; Y42-I147 HydrophobicContact CD1-CG2 4.47Å; Y42-I147 HydrophobicContact CD2-CD1 3.81Å; Y42-I147 HydrophobicContact CD2-CG1 4.45Å; Y42-I147 HydrophobicContact CE1-CB 4.44Å; Y42-I147 HydrophobicContact CE1-CD1 4.33Å; Y42-I147 HydrophobicContact CE1-CG1 4.03Å; Y42-I147 HydrophobicContact CE1-CG2 3.76Å; Y42-I147 HydrophobicContact CE2-CD1 4.03Å; Y42-I147 HydrophobicContact CE2-CG2 4.48Å; Y42-I147 HydrophobicContact CG-CD1 3.88Å; Y42-I147 HydrophobicContact CG-CG1 4.09Å; Y42-R149 PolarHBondContact OH-NH2 3.39Å
43	V	90.2	Very high	85	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.6	172.6	-167	0	0	0	0	107.5	V21 D22 L23 L47 L48 V145	V21-V43 HydrophobicContact CG1-CG1 4.4Å; V21-V43 VanDerWaalsContact O-CG1 3.31Å; V21-V43 WeakPolarHBondContact O-CG1 3.23Å; D22-V43 WeakPolarHBondContact CA-O 3.22Å; L23-V43 HydrophobicContact CB-CB 4.09Å; L23-V43 HydrophobicContact CB-CG2 4.04Å; L23-V43 PolarHBondContact N-O 2.81Å; L23-V43 PolarHBondContact O-N 2.92Å; V43-L47 VanDerWaalsContact CA-O 3.29Å; V43-L47 WeakPolarHBondContact CA-O 3.39Å; V43-L48 HydrophobicContact CG1-CD2 4.48Å; V43-L48 HydrophobicContact CG2-CD2 3.77Å; V43-V145 HydrophobicContact CG2-CG1 4.25Å; V43-V145 HydrophobicContact CG2-CG2 3.77Å
44	E	86.8	Confident	84.6	Confident	125 Å²	125	69.2 Å²	69.2	58%	0.584	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.8	176.5	-172	169.4	-157.4	0	0	109.1	D22 A41 G46 L47	D22-E44 WeakPolarHBondContact OD1-CA 3.41Å; A41-E44 HydrophobicContact CB-CB 4.43Å; E44-G46 PolarHBondContact O-N 3.39Å; E44-L47 PolarHBondContact N-O 3.4Å; E44-L47 WeakPolarHBondContact O-CB 3.42Å; E44-L47 PolarHBondContact O-N 3.39Å
45	D	83	Confident	84.3	Confident	66 Å²	66	73 Å²	73	35%	0.353	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	34.5	-173.6	-77.3	-44.9	0	0	0	113.4	C19 D22 R73	C19-D45 CarbonylContact O-C 3.47Å; D22-D45 PolarHBondContact OD1-N 3.21Å; D45-R73 IonicContact OD1-NH1 2.94Å; D45-R73 PolarHBondContact OD1-NH1 3.07Å
46	G	80.5	Confident	84.3	Confident	23 Å²	23	74.3 Å²	74.3	24%	0.237	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-5.8	-179.5	0	0	0	0	0	116.3	C19 V21 E44	C19-G46 WeakPolarHBondContact O-CA 3.14Å; C19-G46 PolarHBondContact O-N 2.98Å; V21-G46 PolarHBondContact O-N 3.34Å; E44-G46 PolarHBondContact O-N 3.39Å
47	L	81.8	Confident	84.6	Confident	104 Å²	104	70.7 Å²	70.7	55%	0.545	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.4	177.8	-64.8	171.6	0	0	0	110.6	W18 V43 E44	W18-L47 HydrophobicContact CE3-CD2 4.34Å; W18-L47 HydrophobicContact CZ3-CD2 3.85Å; V43-L47 VanDerWaalsContact CA-O 3.29Å; V43-L47 WeakPolarHBondContact CA-O 3.39Å; E44-L47 PolarHBondContact N-O 3.4Å; E44-L47 WeakPolarHBondContact O-CB 3.42Å; E44-L47 PolarHBondContact O-N 3.39Å
48	L	84.9	Confident	84.8	Confident	69 Å²	69	68.2 Å²	68.2	36%	0.361	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.2	175.2	-60.7	-178	0	0	0	110.5	V43 D50 L53 V145	V43-L48 HydrophobicContact CG1-CD2 4.48Å; V43-L48 HydrophobicContact CG2-CD2 3.77Å; L48-D50 PolarHBondContact O-N 3.02Å; L48-L53 HydrophobicContact CB-CD1 4.18Å; L48-V145 HydrophobicContact CD2-CG2 3.74Å
49	N	85.4	Confident	85.1	Confident	56 Å²	56	64.8 Å²	64.8	30%	0.299	33%	0.331	S	S	.	.			trans	-87.6	89.8	171.5	-174	-14.7	0	0	0	110.1	A41 Y42 Y51 A52 L53	A41-N49 WeakPolarHBondContact O-CB 3.22Å; A41-N49 PolarHBondContact O-ND2 3.18Å; A41-N49 VanDerWaalsContact O-ND2 3.12Å; Y42-N49 PolarHBondContact O-N 3.31Å; N49-Y51 PolarHBondContact O-N 3.07Å; N49-Y51 WeakPolarHBondContact OD1-CB 3.41Å; N49-Y51 PolarHBondContact OD1-N 3.25Å; N49-A52 HydrophobicContact CB-CB 4Å; N49-A52 PolarHBondContact O-N 3Å; N49-A52 PolarHBondContact OD1-N 3.45Å; N49-L53 WeakPolarHBondContact O-CG 3.46Å; N49-L53 PolarHBondContact O-N 3.33Å; N49-L53 VanDerWaalsContact O-N 3.1Å
50	D	80.7	Confident	85.3	Confident	97 Å²	97	63.3 Å²	63.3	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-57.5	-32.2	-178.8	-69	-33	0	0	0	113.1	L48 L53 K54	L48-D50 PolarHBondContact O-N 3.02Å; D50-L53 PolarHBondContact O-N 3.34Å; D50-K54 WeakPolarHBondContact O-CB 3.29Å; D50-K54 WeakPolarHBondContact O-CD 3.36Å; D50-K54 WeakPolarHBondContact O-CG 3.47Å; D50-K54 PolarHBondContact O-N 3.49Å
51	Y	81.8	Confident	85.2	Confident	176 Å²	176	63.7 Å²	63.7	69%	0.69	33%	0.325	S	S	*	.	H	α-helix	trans	-64.4	-47.1	175.4	-67.5	-79.1	0	0	0	110.9	N49 L53 K54 F55	N49-Y51 PolarHBondContact O-N 3.07Å; N49-Y51 WeakPolarHBondContact OD1-CB 3.41Å; N49-Y51 PolarHBondContact OD1-N 3.25Å; Y51-L53 VanDerWaalsContact C-N 3.28Å; Y51-L53 PolarHBondContact O-N 3.2Å; Y51-K54 PolarHBondContact O-N 2.85Å; Y51-F55 WeakPolarHBondContact O-CD2 3.28Å; Y51-F55 WeakPolarHBondContact O-CE2 3.48Å
52	A	83.7	Confident	84.9	Confident	14 Å²	14	67.2 Å²	67.2	12%	0.116	36%	0.355	C	S	.	.	H	α-helix	trans	-65.7	-29.3	178.4	0	0	0	0	0	113.1	L40 Y42 N49	L40-A52 HydrophobicContact CD1-CB 3.86Å; Y42-A52 HydrophobicContact CD1-CB 4.1Å; Y42-A52 HydrophobicContact CE1-CB 4.38Å; N49-A52 HydrophobicContact CB-CB 4Å; N49-A52 PolarHBondContact O-N 3Å; N49-A52 PolarHBondContact OD1-N 3.45Å
53	L	86.3	Confident	84.8	Confident	21 Å²	21	67.8 Å²	67.8	11%	0.11	36%	0.358	C	S	.	.	H	α-helix	trans	-85.9	-21.7	-177.8	-64.7	169.4	0	0	0	114	Y42 L48 N49 D50 Y51 V145 I147	Y42-L53 HydrophobicContact CD1-CD2 3.68Å; Y42-L53 HydrophobicContact CD1-CG 4.39Å; Y42-L53 HydrophobicContact CG-CD2 4.43Å; L48-L53 HydrophobicContact CB-CD1 4.18Å; N49-L53 WeakPolarHBondContact O-CG 3.46Å; N49-L53 PolarHBondContact O-N 3.33Å; N49-L53 VanDerWaalsContact O-N 3.1Å; D50-L53 PolarHBondContact O-N 3.34Å; Y51-L53 VanDerWaalsContact C-N 3.28Å; Y51-L53 PolarHBondContact O-N 3.2Å; L53-V145 HydrophobicContact CD1-CG1 4.37Å; L53-V145 HydrophobicContact CD2-CG1 3.66Å; L53-I147 HydrophobicContact CD2-CG1 4.18Å
54	K	79.1	Confident	84.7	Confident	140 Å²	140	70.6 Å²	70.6	61%	0.609	38%	0.378	S	S	*	.	H	α-helix	trans	-70.6	-32.5	179.8	-83.2	170.1	-175.5	177.9	0	113.5	D50 Y51	D50-K54 WeakPolarHBondContact O-CB 3.29Å; D50-K54 WeakPolarHBondContact O-CD 3.36Å; D50-K54 WeakPolarHBondContact O-CG 3.47Å; D50-K54 PolarHBondContact O-N 3.49Å; Y51-K54 PolarHBondContact O-N 2.85Å
55	F	77.8	Confident	85	Confident	138 Å²	138	67.9 Å²	67.9	61%	0.605	37%	0.365	S	S	*	.			trans	-91.2	137.2	-172.3	-60.5	-73.2	0	0	0	113.5	Y51	Y51-F55 WeakPolarHBondContact O-CD2 3.28Å; Y51-F55 WeakPolarHBondContact O-CE2 3.48Å
56	Q	81.3	Confident	85.6	Confident	88 Å²	88	64.8 Å²	64.8	41%	0.411	35%	0.348	S	S	.	.			trans	-92.4	101.4	170.8	-168.3	178.8	4.2	0	0	110.2	R148 R149 K150	Q56-R148 HydrophobicContact CB-CB 4.23Å; Q56-R148 HydrophobicContact CG-CB 4.13Å; Q56-R149 PolarHBondContact NE2-O 2.88Å; Q56-K150 HydrophobicContact CG-CB 3.95Å
57	V	85.1	Confident	86.3	Confident	24 Å²	24	67.7 Å²	67.7	15%	0.145	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.9	-172.5	179.3	0	0	0	0	111.5	L34 R148 R149 K150	L34-V57 HydrophobicContact CD1-CG1 3.77Å; L34-V57 HydrophobicContact CD2-CG1 3.11Å; L34-V57 HydrophobicContact CG-CG1 4.04Å; V57-R148 PolarHBondContact N-O 3.25Å; V57-R149 CarbonylContact O-C 3.53Å; V57-R149 WeakPolarHBondContact O-CA 3.44Å; V57-K150 PolarHBondContact O-N 3.23Å
58	P	88.6	Confident	87	Confident	69 Å²	69	62.8 Å²	62.8	45%	0.448	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	143.2	178.5	29.2	-34.3	0	0	0	112.3	K150	P58-K150 CarbonylContact C-O 3.58Å; P58-K150 VanDerWaalsContact CA-O 3.28Å; P58-K150 WeakPolarHBondContact CA-O 3.38Å
59	V	91.2	Very high	87.4	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.5	175.9	-178	0	0	0	0	107.8	V33 I63 L66 L116 R149 K150 K151 I152	V33-V59 HydrophobicContact CG1-CG2 4.43Å; V59-I63 HydrophobicContact CG1-CB 4.07Å; V59-I63 HydrophobicContact CG1-CG2 3.99Å; V59-L66 HydrophobicContact CG1-CD2 4.07Å; V59-L66 HydrophobicContact CG2-CD1 4.1Å; V59-L66 HydrophobicContact CG2-CD2 4.25Å; V59-L116 HydrophobicContact CG1-CD1 4.36Å; V59-R149 HydrophobicContact CG2-CB 4.09Å; V59-R149 HydrophobicContact CG2-CG 4.38Å; V59-K150 PolarHBondContact N-O 2.88Å; V59-K151 HydrophobicContact CB-CD 4.17Å; V59-K151 HydrophobicContact CG1-CD 3.99Å; V59-I152 PolarHBondContact O-N 2.97Å
60	P	90.2	Very high	87.9	Confident	55 Å²	55	59.5 Å²	59.5	36%	0.357	31%	0.31	S	S	.	.			trans	-58.2	154.6	179.3	-25.9	33.8	0	0	0	113.8	A62 I63 K151	P60-A62 PolarHBondContact O-N 3.33Å; P60-I63 HydrophobicContact CG-CD1 4.33Å; P60-I63 PolarHBondContact O-N 3.14Å; P60-I63 VanDerWaalsContact O-N 3.1Å; P60-K151 PolarHBondContact O-NZ 3.47Å
61	D	86.5	Confident	88.6	Confident	47 Å²	47	55.6 Å²	55.6	25%	0.251	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-46.4	-179.8	177.9	75.3	0	0	0	113.3	I63 K151 I152 C153 F154	D61-I63 PolarHBondContact O-N 3.09Å; D61-K151 PolarHBondContact O-NZ 3.33Å; D61-I152 WeakPolarHBondContact CA-O 3.25Å; D61-I152 WeakPolarHBondContact CB-O 3.49Å; D61-I152 PolarHBondContact N-O 3.46Å; D61-C153 VanDerWaalsContact OD1-CA 3.31Å; D61-C153 WeakPolarHBondContact OD1-CA 3.43Å; D61-F154 HydrophobicContact CB-CD2 3.37Å; D61-F154 HydrophobicContact CB-CE2 3.73Å; D61-F154 HydrophobicContact CB-CG 4.44Å; D61-F154 PolarHBondContact OD1-N 3.46Å
62	A	85.3	Confident	89	Confident	95 Å²	95	47.2 Å²	47.2	79%	0.785	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.4	178.5	0	0	0	0	0	114.6	P60 S64	P60-A62 PolarHBondContact O-N 3.33Å; A62-S64 PolarHBondContact O-N 3.37Å
63	I	89.9	Confident	89.1	Confident	15 Å²	15	53.4 Å²	53.4	8%	0.077	28%	0.277	C	S	.	.			trans	-94.1	93	-179.4	-60.7	-175.3	0	0	0	110	R32 V33 V59 P60 D61 Q65 L66 K151	R32-I63 WeakPolarHBondContact O-CD1 3.27Å; V33-I63 HydrophobicContact CB-CD1 4.31Å; V33-I63 HydrophobicContact CG2-CD1 4.1Å; V33-I63 HydrophobicContact CG2-CG2 4.43Å; V59-I63 HydrophobicContact CG1-CB 4.07Å; V59-I63 HydrophobicContact CG1-CG2 3.99Å; P60-I63 HydrophobicContact CG-CD1 4.33Å; P60-I63 PolarHBondContact O-N 3.14Å; P60-I63 VanDerWaalsContact O-N 3.1Å; D61-I63 PolarHBondContact O-N 3.09Å; I63-Q65 VanDerWaalsContact CG2-O 3.25Å; I63-Q65 WeakPolarHBondContact CG2-O 3.43Å; I63-L66 HydrophobicContact CG2-CD2 4.09Å; I63-K151 PolarHBondContact O-NZ 3.02Å
64	S	90	Very high	88.9	Confident	61 Å²	61	53.2 Å²	53.2	43%	0.427	28%	0.278	S	S	.	.			trans	-83.7	-8.1	179.4	58.6	0	0	0	0	114.3	A62 N115 L116	A62-S64 PolarHBondContact O-N 3.37Å; S64-N115 PolarHBondContact O-OD1 2.96Å; S64-N115 VanDerWaalsContact O-OD1 3.07Å; S64-L116 CarbonylContact O-C 3.6Å; S64-L116 PolarHBondContact O-N 3.12Å
65	Q	92.5	Very high	88.9	Confident	67 Å²	67	57 Å²	57	31%	0.313	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.3	-179	-66.3	-175.3	-19.2	0	0	110.5	R32 I63 F67 V114	R32-Q65 PolarHBondContact NH2-O 3.48Å; I63-Q65 VanDerWaalsContact CG2-O 3.25Å; I63-Q65 WeakPolarHBondContact CG2-O 3.43Å; Q65-F67 HydrophobicContact CB-CE2 4.28Å; Q65-F67 HydrophobicContact CB-CZ 4.48Å; Q65-V114 WeakPolarHBondContact CA-O 3.45Å
66	L	94.4	Very high	89.1	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.6	169.4	-63.6	-179.4	0	0	0	109.7	E29 V33 V59 I63 F68 S113 V114 L116 R149	E29-L66 WeakPolarHBondContact OE1-CA 3.43Å; V33-L66 HydrophobicContact CG1-CD2 4.15Å; V33-L66 HydrophobicContact CG2-CD2 3.7Å; V59-L66 HydrophobicContact CG1-CD2 4.07Å; V59-L66 HydrophobicContact CG2-CD1 4.1Å; V59-L66 HydrophobicContact CG2-CD2 4.25Å; I63-L66 HydrophobicContact CG2-CD2 4.09Å; L66-F68 HydrophobicContact CB-CD2 4.47Å; L66-F68 HydrophobicContact CB-CE2 3.74Å; L66-F68 HydrophobicContact CB-CZ 4.36Å; L66-F68 HydrophobicContact CD1-CE2 4.38Å; L66-F68 HydrophobicContact CD1-CZ 4.33Å; L66-S113 CarbonylContact O-C 3.59Å; L66-S113 VanDerWaalsContact O-CA 3.25Å; L66-S113 WeakPolarHBondContact O-CA 3.28Å; L66-V114 PolarHBondContact N-O 3.13Å; L66-V114 PolarHBondContact O-N 2.81Å; L66-L116 HydrophobicContact CD1-CD1 3.63Å; L66-L116 HydrophobicContact CG-CD1 3.8Å; L66-R149 HydrophobicContact CD1-CG 4.11Å
67	F	95.1	Very high	89.3	Confident	84 Å²	84	55.9 Å²	55.9	37%	0.368	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.7	176.8	-64.4	-88	0	0	0	110.8	E29 Q65	E29-F67 HydrophobicContact CG-CB 4.23Å; E29-F67 PolarHBondContact OE1-N 3.24Å; Q65-F67 HydrophobicContact CB-CE2 4.28Å; Q65-F67 HydrophobicContact CB-CZ 4.48Å
68	F	96.4	Very high	89.5	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.3	174.7	-65.3	-92	0	0	0	108.7	L23 V25 Y42 L66 A111 F112 V114 I130 I147	L23-F68 HydrophobicContact CD1-CB 4.35Å; V25-F68 HydrophobicContact CG2-CD1 3.63Å; V25-F68 HydrophobicContact CG2-CE1 3.74Å; V25-F68 HydrophobicContact CG2-CG 4.45Å; Y42-F68 HydrophobicContact CE2-CD1 4.33Å; Y42-F68 AromaticContact CE2-CE1 3.96Å; Y42-F68 HydrophobicContact CE2-CE1 3.96Å; L66-F68 HydrophobicContact CB-CD2 4.47Å; L66-F68 HydrophobicContact CB-CE2 3.74Å; L66-F68 HydrophobicContact CB-CZ 4.36Å; L66-F68 HydrophobicContact CD1-CE2 4.38Å; L66-F68 HydrophobicContact CD1-CZ 4.33Å; F68-A111 CarbonylContact O-C 3.57Å; F68-A111 WeakPolarHBondContact O-CA 3.4Å; F68-F112 HydrophobicContact CB-CD1 4.18Å; F68-F112 HydrophobicContact CB-CD2 4.4Å; F68-F112 HydrophobicContact CB-CE1 3.64Å; F68-F112 HydrophobicContact CB-CE2 3.88Å; F68-F112 HydrophobicContact CB-CZ 3.48Å; F68-F112 VanDerWaalsContact CB-CZ 3.48Å; F68-F112 AromaticContact CD2-CE2 3.98Å; F68-F112 HydrophobicContact CD2-CE2 3.98Å; F68-F112 HydrophobicContact CD2-CZ 4.28Å; F68-F112 HydrophobicContact CG-CE2 4.17Å; F68-F112 HydrophobicContact CG-CZ 4Å; F68-F112 PolarHBondContact N-O 2.95Å; F68-F112 PolarHBondContact O-N 3.33Å; F68-V114 HydrophobicContact CD2-CG2 3.76Å; F68-V114 HydrophobicContact CE2-CB 4.26Å; F68-V114 HydrophobicContact CE2-CG2 3.62Å; F68-I130 HydrophobicContact CE2-CD1 4.15Å; F68-I130 HydrophobicContact CZ-CD1 4.02Å; F68-I147 HydrophobicContact CD1-CD1 4.3Å; F68-I147 HydrophobicContact CE1-CD1 3.84Å; F68-I147 HydrophobicContact CE1-CG2 4.37Å
69	Q	95.1	Very high	89.6	Confident	52 Å²	52	58 Å²	58	24%	0.243	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.5	175	-73.6	-178.2	-25.8	0	0	109.4	L23 F24 L109 E110 A111	L23-Q69 WeakPolarHBondContact CA-O 3.27Å; F24-Q69 HydrophobicContact CD2-CB 4.24Å; F24-Q69 HydrophobicContact CE1-CB 4.19Å; F24-Q69 HydrophobicContact CE2-CB 3.84Å; F24-Q69 HydrophobicContact CZ-CB 3.81Å; F24-Q69 PolarHBondContact N-O 3.11Å; F24-Q69 PolarHBondContact O-N 2.79Å; Q69-L109 HydrophobicContact CB-CD1 4.18Å; Q69-E110 WeakPolarHBondContact CA-O 3.35Å; Q69-A111 HydrophobicContact CG-CB 3.97Å
70	W	95.8	Very high	89.7	Confident	3 Å²	3	58.8 Å²	58.8	1%	0.011	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.4	-179.9	64.7	-9.9	0	0	0	111.9	D22 L23 Y80 I99 M105 P106 E110 F112	D22-W70 WeakPolarHBondContact O-CA 3.46Å; D22-W70 WeakPolarHBondContact O-CB 3.38Å; L23-W70 HydrophobicContact CD1-CB 3.99Å; W70-Y80 AromaticContact CH2-CD1 3.38Å; W70-Y80 HydrophobicContact CH2-CD1 3.38Å; W70-Y80 AromaticContact CH2-CD2 3.62Å; W70-Y80 HydrophobicContact CH2-CD2 3.62Å; W70-Y80 AromaticContact CH2-CE1 3.36Å; W70-Y80 HydrophobicContact CH2-CE1 3.36Å; W70-Y80 AromaticContact CH2-CE2 3.62Å; W70-Y80 HydrophobicContact CH2-CE2 3.62Å; W70-Y80 AromaticContact CH2-CG 3.51Å; W70-Y80 HydrophobicContact CH2-CG 3.51Å; W70-Y80 AromaticContact CH2-CZ 3.49Å; W70-Y80 VanDerWaalsContact CH2-CZ 3.49Å; W70-Y80 HydrophobicContact CZ2-CD1 4.23Å; W70-Y80 AromaticContact CZ2-CE1 3.86Å; W70-Y80 HydrophobicContact CZ2-CE1 3.86Å; W70-Y80 AromaticContact CZ3-CD1 3.91Å; W70-Y80 HydrophobicContact CZ3-CD1 3.91Å; W70-Y80 HydrophobicContact CZ3-CD2 4.02Å; W70-Y80 HydrophobicContact CZ3-CE1 4.32Å; W70-Y80 HydrophobicContact CZ3-CE2 4.46Å; W70-Y80 AromaticContact CZ3-CG 3.74Å; W70-Y80 HydrophobicContact CZ3-CG 3.74Å; W70-I99 HydrophobicContact CH2-CD1 3.53Å; W70-I99 HydrophobicContact CZ2-CD1 3.45Å; W70-I99 VanDerWaalsContact CZ2-CD1 3.45Å; W70-M105 HydrophobicContact CD2-CG 4.26Å; W70-M105 HydrophobicContact CE3-CE 3.74Å; W70-M105 HydrophobicContact CE3-CG 4.07Å; W70-M105 HydrophobicContact CE3-SD 4.46Å; W70-M105 HydrophobicContact CZ3-CE 3.97Å; W70-M105 HydrophobicContact CZ3-CG 4.42Å; W70-P106 HydrophobicContact CG-CG 4.39Å; W70-E110 PolarHBondContact N-O 3.33Å; W70-E110 PolarHBondContact O-N 3.44Å; W70-F112 AromaticContact CD2-CD1 3.95Å; W70-F112 HydrophobicContact CD2-CD1 3.95Å; W70-F112 AromaticContact CD2-CE1 3.75Å; W70-F112 HydrophobicContact CD2-CE1 3.75Å; W70-F112 AromaticContact CE2-CD1 3.75Å; W70-F112 HydrophobicContact CE3-CE1 4.01Å; W70-F112 HydrophobicContact CG-CD1 4.13Å; W70-F112 AromaticContact CG-CE1 4Å; W70-F112 HydrophobicContact CG-CE1 4Å; W70-F112 HydrophobicContact CZ2-CD1 4.2Å; W70-F112 HydrophobicContact CZ3-CE1 4.48Å; W70-F112 AromaticContact NE1-CD1 3.78Å
71	V	93.8	Very high	89.8	Confident	15 Å²	15	58 Å²	58	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	146.1	175.7	59	0	0	0	0	109.1	D22 L109	D22-V71 HydrophobicContact CB-CG1 3.94Å; D22-V71 PolarHBondContact N-O 3.16Å; D22-V71 PolarHBondContact O-N 2.79Å; D22-V71 VanDerWaalsContact O-N 3.09Å; V71-L109 HydrophobicContact CB-CD1 4.24Å; V71-L109 HydrophobicContact CG1-CD1 4.16Å
72	T	90.9	Very high	90.2	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.7	165.3	-179.9	0	0	0	0	110.7	K20 A74 V78 M105 P106 T107	K20-T72 CarbonylContact O-C 3.59Å; K20-T72 WeakPolarHBondContact O-CA 3.48Å; T72-A74 VanDerWaalsContact OG1-CB 3.28Å; T72-A74 WeakPolarHBondContact OG1-CB 3.44Å; T72-A74 PolarHBondContact OG1-N 2.83Å; T72-A74 VanDerWaalsContact OG1-N 3.15Å; T72-V78 HydrophobicContact CG2-CB 4.4Å; T72-V78 HydrophobicContact CG2-CG2 4.26Å; T72-V78 WeakPolarHBondContact OG1-CG2 3.45Å; T72-M105 HydrophobicContact CG2-CB 4.02Å; T72-M105 HydrophobicContact CG2-CG 4.05Å; T72-M105 WeakPolarHBondContact CG2-O 3.37Å; T72-M105 HydrophobicContact CG2-SD 4.4Å; T72-P106 WeakPolarHBondContact CG2-O 3.47Å; T72-P106 PolarHBondContact N-O 3.18Å; T72-T107 HydrophobicContact CG2-CG2 4.46Å; T72-T107 WeakPolarHBondContact O-CA 3.3Å
73	R	86.2	Confident	90.6	Very high	144 Å²	144	53 Å²	53	54%	0.543	26%	0.257	S	S	.	.			trans	-99.5	13.5	169.3	-49.3	177.8	-168	131.6	2.9	111.7	K20 D22 D45	K20-R73 HydrophobicContact CB-CB 3.81Å; K20-R73 HydrophobicContact CB-CG 4.47Å; K20-R73 HydrophobicContact CD-CB 4.25Å; K20-R73 PolarHBondContact O-N 2.69Å; D22-R73 IonicContact OD2-CZ 2.65Å; D22-R73 IonicContact OD2-NE 2.82Å; D22-R73 IonicContact OD2-NH1 2.83Å; D22-R73 IonicContact OD2-NH2 2.78Å; D22-R73 PolarHBondContact OD2-NH2 3.39Å; D45-R73 IonicContact OD1-NH1 2.94Å; D45-R73 PolarHBondContact OD1-NH1 3.07Å
74	A	82.1	Confident	90.8	Very high	17 Å²	17	53.6 Å²	53.6	14%	0.14	26%	0.264	C	S	.	.			trans	-66	147.2	175.2	0	0	0	0	0	110.8	T72 E76 V78	T72-A74 VanDerWaalsContact OG1-CB 3.28Å; T72-A74 WeakPolarHBondContact OG1-CB 3.44Å; T72-A74 PolarHBondContact OG1-N 2.83Å; T72-A74 VanDerWaalsContact OG1-N 3.15Å; A74-E76 VanDerWaalsContact C-N 3.27Å; A74-V78 HydrophobicContact CB-CG2 3.98Å
75	K	78.8	Confident	90.8	Very high	219 Å²	219	57 Å²	57	95%	0.952	27%	0.271	S	S	*	.	S	Bend	trans	-72	-23.8	175.2	-68.7	-173.9	179.4	-178.9	0	113
76	E	82.2	Confident	90.4	Very high	113 Å²	113	55.9 Å²	55.9	53%	0.528	27%	0.267	S	S	.	.	S	Bend	trans	-108.6	155.2	-179.4	-65.2	178.4	178.4	0	0	110.2	A74 V78	A74-E76 VanDerWaalsContact C-N 3.27Å; E76-V78 PolarHBondContact O-N 3.45Å
77	N	86.1	Confident	89.5	Confident	90 Å²	90	58.9 Å²	58.9	48%	0.481	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-65.4	125.6	179.6	-68.7	-18.2	0	0	0	111	Y79 I104	N77-Y79 HydrophobicContact CB-CE2 4.37Å; N77-I104 HydrophobicContact CB-CG2 3.92Å
78	V	88.4	Confident	88.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-92.9	123	172.3	178.8	0	0	0	0	108.5	V21 T72 A74 E76 M105 Y134 W136	V21-V78 HydrophobicContact CG2-CG1 4.34Å; V21-V78 HydrophobicContact CG2-CG2 4.36Å; T72-V78 HydrophobicContact CG2-CB 4.4Å; T72-V78 HydrophobicContact CG2-CG2 4.26Å; T72-V78 WeakPolarHBondContact OG1-CG2 3.45Å; A74-V78 HydrophobicContact CB-CG2 3.98Å; E76-V78 PolarHBondContact O-N 3.45Å; V78-M105 HydrophobicContact CB-CB 4.06Å; V78-M105 HydrophobicContact CG1-CB 4.3Å; V78-M105 HydrophobicContact CG1-CE 4.38Å; V78-M105 HydrophobicContact CG1-SD 4.33Å; V78-M105 WeakPolarHBondContact O-CB 3.37Å; V78-M105 PolarHBondContact O-N 3.27Å; V78-Y134 HydrophobicContact CG1-CD2 4.06Å; V78-Y134 HydrophobicContact CG1-CG 4.39Å; V78-W136 HydrophobicContact CG1-CB 4.42Å; V78-W136 HydrophobicContact CG2-CB 4.14Å; V78-W136 HydrophobicContact CG2-CG 4.05Å
79	Y	90.1	Very high	87.9	Confident	136 Å²	136	65.2 Å²	65.2	53%	0.533	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.1	177.5	-64.6	-87.8	0	0	0	110.5	N77 G103 I104 Y134 T135	N77-Y79 HydrophobicContact CB-CE2 4.37Å; Y79-G103 WeakPolarHBondContact CA-O 3.24Å; Y79-I104 HydrophobicContact CD1-CG1 3.92Å; Y79-I104 HydrophobicContact CE1-CD1 4.16Å; Y79-I104 HydrophobicContact CE1-CG1 3.7Å; Y79-Y134 CarbonylContact O-C 3.57Å; Y79-Y134 VanDerWaalsContact O-CA 3.27Å; Y79-Y134 WeakPolarHBondContact O-CA 3.44Å; Y79-T135 PolarHBondContact O-N 3.1Å
80	Y	93.3	Very high	87.4	Confident	18 Å²	18	66.2 Å²	66.2	7%	0.071	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	155.4	178.3	75.4	-93.8	0	0	0	112.5	W70 I82 I99 P100 Q102 G103 I104 M105 N133	W70-Y80 AromaticContact CH2-CD1 3.38Å; W70-Y80 HydrophobicContact CH2-CD1 3.38Å; W70-Y80 AromaticContact CH2-CD2 3.62Å; W70-Y80 HydrophobicContact CH2-CD2 3.62Å; W70-Y80 AromaticContact CH2-CE1 3.36Å; W70-Y80 HydrophobicContact CH2-CE1 3.36Å; W70-Y80 AromaticContact CH2-CE2 3.62Å; W70-Y80 HydrophobicContact CH2-CE2 3.62Å; W70-Y80 AromaticContact CH2-CG 3.51Å; W70-Y80 HydrophobicContact CH2-CG 3.51Å; W70-Y80 AromaticContact CH2-CZ 3.49Å; W70-Y80 VanDerWaalsContact CH2-CZ 3.49Å; W70-Y80 HydrophobicContact CZ2-CD1 4.23Å; W70-Y80 AromaticContact CZ2-CE1 3.86Å; W70-Y80 HydrophobicContact CZ2-CE1 3.86Å; W70-Y80 AromaticContact CZ3-CD1 3.91Å; W70-Y80 HydrophobicContact CZ3-CD1 3.91Å; W70-Y80 HydrophobicContact CZ3-CD2 4.02Å; W70-Y80 HydrophobicContact CZ3-CE1 4.32Å; W70-Y80 HydrophobicContact CZ3-CE2 4.46Å; W70-Y80 AromaticContact CZ3-CG 3.74Å; W70-Y80 HydrophobicContact CZ3-CG 3.74Å; Y80-I82 HydrophobicContact CD2-CB 4.5Å; Y80-I82 HydrophobicContact CD2-CG2 4.4Å; Y80-I82 HydrophobicContact CE2-CG2 4.13Å; Y80-I99 HydrophobicContact CE2-CD1 4.01Å; Y80-P100 WeakPolarHBondContact CE2-O 3.39Å; Y80-P100 PolarHBondContact OH-O 3.34Å; Y80-Q102 VanDerWaalsContact O-CA 3.28Å; Y80-Q102 WeakPolarHBondContact O-CA 3.42Å; Y80-G103 VanDerWaalsContact CD1-O 3.24Å; Y80-G103 WeakPolarHBondContact CD1-O 3.46Å; Y80-G103 VanDerWaalsContact CE1-CA 3.47Å; Y80-G103 PolarHBondContact N-O 3.42Å; Y80-G103 PolarHBondContact O-N 2.93Å; Y80-G103 VanDerWaalsContact O-N 3.13Å; Y80-I104 WeakPolarHBondContact CE1-O 3.37Å; Y80-M105 HydrophobicContact CD1-CB 4.42Å; Y80-N133 CarbonylContact C-O 3.59Å; Y80-N133 VanDerWaalsContact CA-O 3.23Å; Y80-N133 WeakPolarHBondContact CA-O 3.32Å
81	S	92.2	Very high	86.9	Confident	38 Å²	38	66.6 Å²	66.6	27%	0.266	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.1	161.5	73.3	0	0	0	0	109.7	T101 N133	S81-T101 CarbonylContact C-O 3.57Å; S81-T101 VanDerWaalsContact CA-O 3.28Å; S81-T101 WeakPolarHBondContact CA-O 3.46Å; S81-N133 PolarHBondContact N-O 2.97Å; S81-N133 PolarHBondContact O-N 2.85Å
82	I	95.4	Very high	86.7	Confident	10 Å²	10	65.9 Å²	65.9	5%	0.051	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.5	-179.8	-169.4	166.7	0	0	0	111.3	Y80 F97 I99 T101 F112 I130 H131 V132	Y80-I82 HydrophobicContact CD2-CB 4.5Å; Y80-I82 HydrophobicContact CD2-CG2 4.4Å; Y80-I82 HydrophobicContact CE2-CG2 4.13Å; I82-F97 HydrophobicContact CD1-CD1 3.53Å; I82-F97 HydrophobicContact CD1-CE1 3.5Å; I82-F97 VanDerWaalsContact CD1-CE1 3.5Å; I82-F97 HydrophobicContact CD1-CG 4.41Å; I82-F97 HydrophobicContact CD1-CZ 4.35Å; I82-F97 HydrophobicContact CG1-CD1 3.92Å; I82-F97 HydrophobicContact CG1-CE1 3.59Å; I82-F97 HydrophobicContact CG1-CZ 3.93Å; I82-F97 HydrophobicContact CG2-CD1 4.44Å; I82-F97 HydrophobicContact CG2-CG 4.33Å; I82-I99 HydrophobicContact CG2-CD1 4.48Å; I82-T101 PolarHBondContact N-O 3.21Å; I82-F112 HydrophobicContact CD1-CD2 4.4Å; I82-F112 HydrophobicContact CD1-CE2 3.6Å; I82-F112 HydrophobicContact CD1-CZ 3.96Å; I82-I130 HydrophobicContact CD1-CG2 4.36Å; I82-I130 HydrophobicContact CG1-CG2 4.39Å; I82-H131 VanDerWaalsContact CA-O 3.3Å; I82-H131 WeakPolarHBondContact CA-O 3.32Å; I82-V132 HydrophobicContact CD1-CG2 3.89Å; I82-V132 HydrophobicContact CG1-CG2 4.07Å
83	G	94.4	Very high	86.6	Confident	28 Å²	28	70.4 Å²	70.4	29%	0.289	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	165.9	175.2	0	0	0	0	0	112	H131	G83-H131 PolarHBondContact N-O 3.38Å; G83-H131 PolarHBondContact O-N 2.87Å
84	A	93.2	Very high	86.7	Confident	26 Å²	26	68.5 Å²	68.5	22%	0.215	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.2	175.5	0	0	0	0	0	111.3	P95 F97 Q129	A84-P95 HydrophobicContact CB-CB 3.91Å; A84-P95 HydrophobicContact CB-CG 3.82Å; A84-F97 HydrophobicContact CB-CE2 4.37Å; A84-F97 HydrophobicContact CB-CZ 3.86Å; A84-Q129 CarbonylContact C-O 3.49Å; A84-Q129 VanDerWaalsContact CA-O 3.28Å; A84-Q129 WeakPolarHBondContact CA-O 3.44Å
85	K	89.6	Confident	87.2	Confident	134 Å²	134	68.1 Å²	68.1	58%	0.583	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.4	168.4	-67.2	-177.1	-176.3	177	0	109.8	Q129	K85-Q129 HydrophobicContact CB-CB 4.41Å; K85-Q129 PolarHBondContact N-O 2.91Å; K85-Q129 PolarHBondContact O-N 3.38Å
86	L	85.2	Confident	87.8	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.225	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.7	177.9	-60.1	83.9	0	0	0	110.8	M92 T94 P95	L86-M92 HydrophobicContact CD2-CB 4.5Å; L86-M92 HydrophobicContact CD2-CE 3.53Å; L86-M92 HydrophobicContact CG-CE 4.09Å; L86-T94 HydrophobicContact CD1-CG2 4.17Å; L86-P95 VanDerWaalsContact CD1-CD 3.46Å; L86-P95 HydrophobicContact CD1-CG 4.48Å
87	G	76.3	Confident	88.5	Confident	64 Å²	64	57 Å²	57	66%	0.66	32%	0.319	S	S	*	.	S	Bend	trans	-79.7	-30.8	170.2	0	0	0	0	0	114.8	G127	G87-G127 PolarHBondContact N-O 3.05Å; G87-G127 VanDerWaalsContact N-O 3.15Å
88	K	78.3	Confident	88.8	Confident	117 Å²	117	56.2 Å²	56.2	51%	0.509	32%	0.32	S	S	.	.			trans	-148.1	112.9	-173.7	-63.4	-178.3	-177.6	175.8	0	111.5	I91 V126	K88-I91 HydrophobicContact CB-CD1 4.36Å; K88-I91 HydrophobicContact CD-CD1 3.9Å; K88-V126 HydrophobicContact CB-CG1 4.49Å; K88-V126 HydrophobicContact CB-CG2 4.43Å
89	T	79.7	Confident	89.1	Confident	102 Å²	102	57.7 Å²	57.7	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-10.1	-177.1	52	0	0	0	0	114.2
90	D	83.2	Confident	89.3	Confident	73 Å²	73	55.4 Å²	55.4	39%	0.39	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-19.8	179.2	67.6	-41.6	0	0	0	113.1	T119 K122	D90-T119 PolarHBondContact O-OG1 2.84Å; D90-K122 IonicContact OD2-NZ 2.82Å; D90-K122 PolarHBondContact OD2-NZ 3.24Å
91	I	85.2	Confident	89.2	Confident	11 Å²	11	59 Å²	59	6%	0.056	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-41.1	-179.8	-61.5	163.5	0	0	0	111.1	K88 T119 K122 V126 C153	K88-I91 HydrophobicContact CB-CD1 4.36Å; K88-I91 HydrophobicContact CD-CD1 3.9Å; I91-T119 WeakPolarHBondContact O-CB 3.43Å; I91-T119 PolarHBondContact O-N 3.42Å; I91-T119 PolarHBondContact O-OG1 3.16Å; I91-K122 HydrophobicContact CG1-CB 4.15Å; I91-V126 HydrophobicContact CB-CG2 3.7Å; I91-V126 HydrophobicContact CD1-CG2 4.3Å; I91-V126 HydrophobicContact CG2-CG2 3.62Å; I91-C153 HydrophobicContact CG2-CB 3.65Å
92	M	89.5	Confident	89.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-125.6	140.9	-176.2	-163.9	-176.4	82.4	0	0	111.8	L86 P95 L116 K117 V126 I128 K151	L86-M92 HydrophobicContact CD2-CB 4.5Å; L86-M92 HydrophobicContact CD2-CE 3.53Å; L86-M92 HydrophobicContact CG-CE 4.09Å; M92-P95 HydrophobicContact CE-CG 3.71Å; M92-L116 HydrophobicContact CE-CD2 4.36Å; M92-L116 HydrophobicContact SD-CB 4.46Å; M92-K117 WeakPolarHBondContact CG-O 3.33Å; M92-V126 HydrophobicContact CB-CB 4.4Å; M92-V126 HydrophobicContact CB-CG1 4.37Å; M92-V126 HydrophobicContact CB-CG2 4.08Å; M92-I128 HydrophobicContact CE-CD1 3.65Å; M92-I128 HydrophobicContact CE-CG1 3.66Å; M92-I128 HydrophobicContact SD-CD1 3.72Å; M92-I128 HydrophobicContact SD-CG1 4.21Å; M92-K151 HydrophobicContact SD-CB 3.84Å; M92-K151 HydrophobicContact SD-CG 3.72Å
93	E	88.4	Confident	89.1	Confident	95 Å²	95	64.7 Å²	64.7	44%	0.444	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-68.6	157.7	171.6	-61.9	-178.6	-178.9	0	0	111	K117 T119	E93-K117 HydrophobicContact CB-CB 4.24Å; E93-K117 HydrophobicContact CG-CB 4.36Å; E93-K117 PolarHBondContact N-O 3.09Å; E93-T119 HydrophobicContact CG-CG2 3.99Å
94	T	88.4	Confident	88.9	Confident	104 Å²	104	67.5 Å²	67.5	64%	0.638	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-64	129.5	177.1	-60.5	0	0	0	0	110.1	L86 S96	L86-T94 HydrophobicContact CD1-CG2 4.17Å; T94-S96 PolarHBondContact O-N 3.18Å
95	P	93.1	Very high	88.9	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.058	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-59.4	134.6	180	-27.5	36.6	0	0	0	112.6	A84 L86 M92 V114 N115 L116 I128	A84-P95 HydrophobicContact CB-CB 3.91Å; A84-P95 HydrophobicContact CB-CG 3.82Å; L86-P95 VanDerWaalsContact CD1-CD 3.46Å; L86-P95 HydrophobicContact CD1-CG 4.48Å; M92-P95 HydrophobicContact CE-CG 3.71Å; P95-V114 HydrophobicContact CB-CG1 4.07Å; P95-N115 WeakPolarHBondContact CA-O 3.48Å; P95-N115 WeakPolarHBondContact CB-O 3.39Å; P95-L116 HydrophobicContact CB-CD2 3.96Å; P95-L116 HydrophobicContact CG-CD2 3.82Å; P95-I128 HydrophobicContact CG-CG2 4.35Å
96	S	92.8	Very high	89	Confident	63 Å²	63	60.7 Å²	60.7	44%	0.441	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.6	172.6	68.9	0	0	0	0	110.4	T94 N115	T94-S96 PolarHBondContact O-N 3.18Å; S96-N115 PolarHBondContact N-O 3.34Å; S96-N115 WeakPolarHBondContact O-CB 3.5Å; S96-N115 PolarHBondContact O-N 2.78Å; S96-N115 VanDerWaalsContact OG-CB 3.23Å; S96-N115 WeakPolarHBondContact OG-CB 3.22Å
97	F	95.2	Very high	89.3	Confident	37 Å²	37	63.1 Å²	63.1	16%	0.162	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.7	179.9	-57.4	-85.9	0	0	0	110.4	I82 A84 I99 V114 I130	I82-F97 HydrophobicContact CD1-CD1 3.53Å; I82-F97 HydrophobicContact CD1-CE1 3.5Å; I82-F97 VanDerWaalsContact CD1-CE1 3.5Å; I82-F97 HydrophobicContact CD1-CG 4.41Å; I82-F97 HydrophobicContact CD1-CZ 4.35Å; I82-F97 HydrophobicContact CG1-CD1 3.92Å; I82-F97 HydrophobicContact CG1-CE1 3.59Å; I82-F97 HydrophobicContact CG1-CZ 3.93Å; I82-F97 HydrophobicContact CG2-CD1 4.44Å; I82-F97 HydrophobicContact CG2-CG 4.33Å; A84-F97 HydrophobicContact CB-CE2 4.37Å; A84-F97 HydrophobicContact CB-CZ 3.86Å; F97-I99 HydrophobicContact CB-CG1 4.29Å; F97-I99 PolarHBondContact O-N 3.47Å; F97-V114 HydrophobicContact CD1-CB 4.43Å; F97-V114 HydrophobicContact CD1-CG1 4.2Å; F97-V114 HydrophobicContact CD1-CG2 3.78Å; F97-V114 HydrophobicContact CE1-CB 4.39Å; F97-V114 HydrophobicContact CE1-CG1 3.83Å; F97-V114 HydrophobicContact CE1-CG2 3.77Å; F97-V114 HydrophobicContact CZ-CG1 4.49Å; F97-I130 HydrophobicContact CE1-CG2 4.1Å; F97-I130 HydrophobicContact CZ-CG2 4.49Å
98	S	93.8	Very high	90	Very high	73 Å²	73	67.2 Å²	67.2	51%	0.51	38%	0.376	S	S	.	.	S	Bend	trans	-73.7	-8.4	173.4	70.4	0	0	0	0	113.6	F112 S113	S98-F112 WeakPolarHBondContact OG-CA 3.41Å; S98-S113 WeakPolarHBondContact CB-OG 3.35Å; S98-S113 PolarHBondContact N-O 3.04Å; S98-S113 PolarHBondContact OG-N 3.24Å
99	I	94.1	Very high	90.7	Very high	30 Å²	30	66.5 Å²	66.5	15%	0.154	38%	0.377	C	S	.	.	S	Bend	trans	-116.4	157.6	179.1	56.2	170.7	0	0	0	109.9	W70 Y80 I82 F97 F112	W70-I99 HydrophobicContact CH2-CD1 3.53Å; W70-I99 HydrophobicContact CZ2-CD1 3.45Å; W70-I99 VanDerWaalsContact CZ2-CD1 3.45Å; Y80-I99 HydrophobicContact CE2-CD1 4.01Å; I82-I99 HydrophobicContact CG2-CD1 4.48Å; F97-I99 HydrophobicContact CB-CG1 4.29Å; F97-I99 PolarHBondContact O-N 3.47Å; I99-F112 HydrophobicContact CB-CB 4.39Å; I99-F112 HydrophobicContact CD1-CB 3.86Å; I99-F112 HydrophobicContact CD1-CD1 3.98Å; I99-F112 HydrophobicContact CD1-CD2 3.96Å; I99-F112 HydrophobicContact CD1-CE2 4.49Å; I99-F112 HydrophobicContact CD1-CG 3.67Å; I99-F112 HydrophobicContact CG1-CB 3.96Å; I99-F112 HydrophobicContact CG1-CD2 4.27Å; I99-F112 HydrophobicContact CG1-CG 4.16Å; I99-F112 HydrophobicContact CG2-CB 3.6Å
100	P	93.8	Very high	91.4	Very high	89 Å²	89	66.5 Å²	66.5	58%	0.578	37%	0.37	S	S	*	.			trans	-55.3	150.6	172.4	-24.8	35.4	0	0	0	112.3	Y80 Q102	Y80-P100 WeakPolarHBondContact CE2-O 3.39Å; Y80-P100 PolarHBondContact OH-O 3.34Å; P100-Q102 WeakPolarHBondContact CB-O 3.35Å; P100-Q102 PolarHBondContact O-N 3.07Å
101	T	91.7	Very high	92	Very high	92 Å²	92	65.8 Å²	65.8	56%	0.564	37%	0.374	S	S	*	.	S	Bend	trans	-66.1	-18.2	179.1	50.5	0	0	0	0	113.3	S81 I82	S81-T101 CarbonylContact C-O 3.57Å; S81-T101 VanDerWaalsContact CA-O 3.28Å; S81-T101 WeakPolarHBondContact CA-O 3.46Å; I82-T101 PolarHBondContact N-O 3.21Å
102	Q	92.6	Very high	92.5	Very high	142 Å²	142	65.4 Å²	65.4	66%	0.664	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.6	173.7	-63.5	-179.3	0.2	0	0	109.3	Y80 P100	Y80-Q102 VanDerWaalsContact O-CA 3.28Å; Y80-Q102 WeakPolarHBondContact O-CA 3.42Å; P100-Q102 WeakPolarHBondContact CB-O 3.35Å; P100-Q102 PolarHBondContact O-N 3.07Å
103	G	92.5	Very high	92.7	Very high	26 Å²	26	66.3 Å²	66.3	27%	0.268	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-165.5	-179	0	0	0	0	0	113.3	Y79 Y80	Y79-G103 WeakPolarHBondContact CA-O 3.24Å; Y80-G103 VanDerWaalsContact CD1-O 3.24Å; Y80-G103 WeakPolarHBondContact CD1-O 3.46Å; Y80-G103 VanDerWaalsContact CE1-CA 3.47Å; Y80-G103 PolarHBondContact N-O 3.42Å; Y80-G103 PolarHBondContact O-N 2.93Å; Y80-G103 VanDerWaalsContact O-N 3.13Å
104	I	90.6	Very high	93.1	Very high	88 Å²	88	61.8 Å²	61.8	45%	0.451	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.4	174.9	-59.6	170.1	0	0	0	108.1	N77 Y79 Y80	N77-I104 HydrophobicContact CB-CG2 3.92Å; Y79-I104 HydrophobicContact CD1-CG1 3.92Å; Y79-I104 HydrophobicContact CE1-CD1 4.16Å; Y79-I104 HydrophobicContact CE1-CG1 3.7Å; Y80-I104 WeakPolarHBondContact CE1-O 3.37Å
105	M	92.8	Very high	93.4	Very high	3 Å²	3	58 Å²	58	2%	0.015	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-68.2	136.6	177.7	-169.6	176.3	-76.1	0	0	109.5	V21 W70 T72 V78 Y80 Y134	V21-M105 HydrophobicContact CB-SD 4.24Å; V21-M105 HydrophobicContact CG1-CE 3.83Å; V21-M105 HydrophobicContact CG1-SD 3.55Å; V21-M105 VanDerWaalsContact CG1-SD 3.55Å; V21-M105 HydrophobicContact CG2-CE 4.5Å; V21-M105 HydrophobicContact CG2-SD 3.73Å; W70-M105 HydrophobicContact CD2-CG 4.26Å; W70-M105 HydrophobicContact CE3-CE 3.74Å; W70-M105 HydrophobicContact CE3-CG 4.07Å; W70-M105 HydrophobicContact CE3-SD 4.46Å; W70-M105 HydrophobicContact CZ3-CE 3.97Å; W70-M105 HydrophobicContact CZ3-CG 4.42Å; T72-M105 HydrophobicContact CG2-CB 4.02Å; T72-M105 HydrophobicContact CG2-CG 4.05Å; T72-M105 WeakPolarHBondContact CG2-O 3.37Å; T72-M105 HydrophobicContact CG2-SD 4.4Å; V78-M105 HydrophobicContact CB-CB 4.06Å; V78-M105 HydrophobicContact CG1-CB 4.3Å; V78-M105 HydrophobicContact CG1-CE 4.38Å; V78-M105 HydrophobicContact CG1-SD 4.33Å; V78-M105 WeakPolarHBondContact O-CB 3.37Å; V78-M105 PolarHBondContact O-N 3.27Å; Y80-M105 HydrophobicContact CD1-CB 4.42Å; M105-Y134 HydrophobicContact CE-CD1 4.4Å; M105-Y134 HydrophobicContact CE-CG 4.17Å
106	P	93	Very high	93.4	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.084	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-73	140.8	-171.6	28.9	-35.1	0	0	0	112.1	W70 T72 Q108 E110	W70-P106 HydrophobicContact CG-CG 4.39Å; T72-P106 WeakPolarHBondContact CG2-O 3.47Å; T72-P106 PolarHBondContact N-O 3.18Å; P106-Q108 VanDerWaalsContact C-N 3.3Å; P106-Q108 WeakPolarHBondContact CB-O 3.38Å; P106-E110 HydrophobicContact CB-CB 4.21Å; P106-E110 HydrophobicContact CB-CG 3.74Å; P106-E110 HydrophobicContact CG-CB 3.83Å; P106-E110 HydrophobicContact CG-CG 3.94Å
107	T	90.2	Very high	93.2	Very high	95 Å²	95	59.7 Å²	59.7	58%	0.583	33%	0.332	S	S	*	.	S	Bend	trans	-80.6	-14.1	176.7	55.6	0	0	0	0	113.1	T72	T72-T107 HydrophobicContact CG2-CG2 4.46Å; T72-T107 WeakPolarHBondContact O-CA 3.3Å
108	Q	90.5	Very high	93	Very high	150 Å²	150	59.3 Å²	59.3	70%	0.701	33%	0.333	S	S	*	.	S	Bend	trans	-110.8	158.8	171	-64.4	-172.4	5.5	0	0	109	P106 E110	P106-Q108 VanDerWaalsContact C-N 3.3Å; P106-Q108 WeakPolarHBondContact CB-O 3.38Å; Q108-E110 PolarHBondContact O-N 3.17Å; Q108-E110 VanDerWaalsContact O-N 3.1Å
109	L	94.3	Very high	92.8	Very high	101 Å²	101	57.6 Å²	57.6	53%	0.529	32%	0.32	S	S	.	.			trans	-64.9	113.6	179.8	-175.5	67.3	0	0	0	110.2	F24 Q69 V71	F24-L109 HydrophobicContact CE1-CD1 4.03Å; F24-L109 HydrophobicContact CZ-CD1 3.8Å; Q69-L109 HydrophobicContact CB-CD1 4.18Å; V71-L109 HydrophobicContact CB-CD1 4.24Å; V71-L109 HydrophobicContact CG1-CD1 4.16Å
110	E	95	Very high	92.3	Very high	103 Å²	103	57 Å²	57	48%	0.481	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	157.9	173.9	-64.6	-177.8	-174.8	0	0	110.6	Q69 W70 P106 Q108	Q69-E110 WeakPolarHBondContact CA-O 3.35Å; W70-E110 PolarHBondContact N-O 3.33Å; W70-E110 PolarHBondContact O-N 3.44Å; P106-E110 HydrophobicContact CB-CB 4.21Å; P106-E110 HydrophobicContact CB-CG 3.74Å; P106-E110 HydrophobicContact CG-CB 3.83Å; P106-E110 HydrophobicContact CG-CG 3.94Å; Q108-E110 PolarHBondContact O-N 3.17Å; Q108-E110 VanDerWaalsContact O-N 3.1Å
111	A	94.4	Very high	91.9	Very high	58 Å²	58	62.1 Å²	62.1	48%	0.479	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.1	173.8	0	0	0	0	0	110.1	F68 Q69	F68-A111 CarbonylContact O-C 3.57Å; F68-A111 WeakPolarHBondContact O-CA 3.4Å; Q69-A111 HydrophobicContact CG-CB 3.97Å
112	F	96	Very high	91.5	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.013	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.9	168.5	69.2	-89.7	0	0	0	110	L23 F68 W70 I82 S98 I99 V114	L23-F112 HydrophobicContact CD1-CE1 4.15Å; L23-F112 HydrophobicContact CD1-CZ 4.32Å; F68-F112 HydrophobicContact CB-CD1 4.18Å; F68-F112 HydrophobicContact CB-CD2 4.4Å; F68-F112 HydrophobicContact CB-CE1 3.64Å; F68-F112 HydrophobicContact CB-CE2 3.88Å; F68-F112 HydrophobicContact CB-CZ 3.48Å; F68-F112 VanDerWaalsContact CB-CZ 3.48Å; F68-F112 AromaticContact CD2-CE2 3.98Å; F68-F112 HydrophobicContact CD2-CE2 3.98Å; F68-F112 HydrophobicContact CD2-CZ 4.28Å; F68-F112 HydrophobicContact CG-CE2 4.17Å; F68-F112 HydrophobicContact CG-CZ 4Å; F68-F112 PolarHBondContact N-O 2.95Å; F68-F112 PolarHBondContact O-N 3.33Å; W70-F112 AromaticContact CD2-CD1 3.95Å; W70-F112 HydrophobicContact CD2-CD1 3.95Å; W70-F112 AromaticContact CD2-CE1 3.75Å; W70-F112 HydrophobicContact CD2-CE1 3.75Å; W70-F112 AromaticContact CE2-CD1 3.75Å; W70-F112 HydrophobicContact CE3-CE1 4.01Å; W70-F112 HydrophobicContact CG-CD1 4.13Å; W70-F112 AromaticContact CG-CE1 4Å; W70-F112 HydrophobicContact CG-CE1 4Å; W70-F112 HydrophobicContact CZ2-CD1 4.2Å; W70-F112 HydrophobicContact CZ3-CE1 4.48Å; W70-F112 AromaticContact NE1-CD1 3.78Å; I82-F112 HydrophobicContact CD1-CD2 4.4Å; I82-F112 HydrophobicContact CD1-CE2 3.6Å; I82-F112 HydrophobicContact CD1-CZ 3.96Å; S98-F112 WeakPolarHBondContact OG-CA 3.41Å; I99-F112 HydrophobicContact CB-CB 4.39Å; I99-F112 HydrophobicContact CD1-CB 3.86Å; I99-F112 HydrophobicContact CD1-CD1 3.98Å; I99-F112 HydrophobicContact CD1-CD2 3.96Å; I99-F112 HydrophobicContact CD1-CE2 4.49Å; I99-F112 HydrophobicContact CD1-CG 3.67Å; I99-F112 HydrophobicContact CG1-CB 3.96Å; I99-F112 HydrophobicContact CG1-CD2 4.27Å; I99-F112 HydrophobicContact CG1-CG 4.16Å; I99-F112 HydrophobicContact CG2-CB 3.6Å; F112-V114 HydrophobicContact CD2-CG2 4.26Å; F112-V114 HydrophobicContact CE2-CG2 3.93Å
113	S	94.8	Very high	91.2	Very high	18 Å²	18	60.3 Å²	60.3	13%	0.126	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145	177.6	69.3	0	0	0	0	112	L66 S98	L66-S113 CarbonylContact O-C 3.59Å; L66-S113 VanDerWaalsContact O-CA 3.25Å; L66-S113 WeakPolarHBondContact O-CA 3.28Å; S98-S113 WeakPolarHBondContact CB-OG 3.35Å; S98-S113 PolarHBondContact N-O 3.04Å; S98-S113 PolarHBondContact OG-N 3.24Å
114	V	95.9	Very high	91	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.3	171.9	-172.9	0	0	0	0	107.5	Q65 L66 F68 P95 F97 F112 L116 I130	Q65-V114 WeakPolarHBondContact CA-O 3.45Å; L66-V114 PolarHBondContact N-O 3.13Å; L66-V114 PolarHBondContact O-N 2.81Å; F68-V114 HydrophobicContact CD2-CG2 3.76Å; F68-V114 HydrophobicContact CE2-CB 4.26Å; F68-V114 HydrophobicContact CE2-CG2 3.62Å; P95-V114 HydrophobicContact CB-CG1 4.07Å; F97-V114 HydrophobicContact CD1-CB 4.43Å; F97-V114 HydrophobicContact CD1-CG1 4.2Å; F97-V114 HydrophobicContact CD1-CG2 3.78Å; F97-V114 HydrophobicContact CE1-CB 4.39Å; F97-V114 HydrophobicContact CE1-CG1 3.83Å; F97-V114 HydrophobicContact CE1-CG2 3.77Å; F97-V114 HydrophobicContact CZ-CG1 4.49Å; F112-V114 HydrophobicContact CD2-CG2 4.26Å; F112-V114 HydrophobicContact CE2-CG2 3.93Å; V114-L116 HydrophobicContact CG1-CD2 3.96Å; V114-I130 HydrophobicContact CB-CD1 4.49Å; V114-I130 HydrophobicContact CG1-CD1 4.11Å; V114-I130 HydrophobicContact CG2-CD1 4.28Å
115	N	94.4	Very high	91	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.134	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.1	-179.2	-154.7	-23.1	0	0	0	110	S64 P95 S96 K117	S64-N115 PolarHBondContact O-OD1 2.96Å; S64-N115 VanDerWaalsContact O-OD1 3.07Å; P95-N115 WeakPolarHBondContact CA-O 3.48Å; P95-N115 WeakPolarHBondContact CB-O 3.39Å; S96-N115 PolarHBondContact N-O 3.34Å; S96-N115 WeakPolarHBondContact O-CB 3.5Å; S96-N115 PolarHBondContact O-N 2.78Å; S96-N115 VanDerWaalsContact OG-CB 3.23Å; S96-N115 WeakPolarHBondContact OG-CB 3.22Å; N115-K117 VanDerWaalsContact OD1-CG 3.28Å; N115-K117 WeakPolarHBondContact OD1-CG 3.29Å
116	L	92.9	Very high	90.8	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.314	C	S	.	.			trans	-121.5	74.2	-176	-58.5	-175	0	0	0	109.3	V59 S64 L66 M92 P95 V114 I128 K151	V59-L116 HydrophobicContact CG1-CD1 4.36Å; S64-L116 CarbonylContact O-C 3.6Å; S64-L116 PolarHBondContact O-N 3.12Å; L66-L116 HydrophobicContact CD1-CD1 3.63Å; L66-L116 HydrophobicContact CG-CD1 3.8Å; M92-L116 HydrophobicContact CE-CD2 4.36Å; M92-L116 HydrophobicContact SD-CB 4.46Å; P95-L116 HydrophobicContact CB-CD2 3.96Å; P95-L116 HydrophobicContact CG-CD2 3.82Å; V114-L116 HydrophobicContact CG1-CD2 3.96Å; L116-I128 HydrophobicContact CD1-CD1 3.94Å; L116-I128 HydrophobicContact CD2-CD1 3.81Å; L116-I128 HydrophobicContact CG-CD1 4.42Å; L116-K151 HydrophobicContact CB-CD 4.42Å
117	K	89.9	Confident	90.8	Very high	107 Å²	107	61.6 Å²	61.6	47%	0.465	33%	0.325	S	S	.	.			trans	-84.2	125.3	-179.4	-66.2	-171.6	180	178.7	0	111.7	M92 E93 N115	M92-K117 WeakPolarHBondContact CG-O 3.33Å; E93-K117 HydrophobicContact CB-CB 4.24Å; E93-K117 HydrophobicContact CG-CB 4.36Å; E93-K117 PolarHBondContact N-O 3.09Å; N115-K117 VanDerWaalsContact OD1-CG 3.28Å; N115-K117 WeakPolarHBondContact OD1-CG 3.29Å
118	C	90.8	Very high	90.9	Very high	29 Å²	29	57.1 Å²	57.1	20%	0.196	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-73.8	144.1	166	-61.4	0	0	0	0	109.8	G120 K151 C153	C118-G120 PolarHBondContact O-N 3.49Å; C118-K151 WeakPolarHBondContact SG-CE 3.33Å; C118-C153 VanDerWaalsContact CA-SG 3.58Å; C118-C153 HydrophobicContact CB-CB 3.58Å; C118-C153 WeakPolarHBondContact CB-SG 3.29Å; C118-C153 WeakPolarHBondContact SG-CA 3.29Å; C118-C153 WeakPolarHBondContact SG-CB 3.31Å; C118-C153 CovalentContact SG-SG 2.03Å; C118-C153 PolarHBondContact SG-SG 3.45Å
119	T	88.4	Confident	91	Very high	37 Å²	37	53.5 Å²	53.5	23%	0.227	28%	0.28	C	S	.	.			trans	-70.2	-17.8	177.3	60.5	0	0	0	0	112.8	D90 I91 E93 R121	D90-T119 PolarHBondContact O-OG1 2.84Å; I91-T119 WeakPolarHBondContact O-CB 3.43Å; I91-T119 PolarHBondContact O-N 3.42Å; I91-T119 PolarHBondContact O-OG1 3.16Å; E93-T119 HydrophobicContact CG-CG2 3.99Å; T119-R121 PolarHBondContact O-N 3Å; T119-R121 PolarHBondContact OG1-N 3.06Å
120	G	84.4	Confident	91	Very high	16 Å²	16	48.8 Å²	48.8	17%	0.165	26%	0.255	C	S	.	.	S	Bend	trans	70.6	3.7	-172.8	0	0	0	0	0	114.3	C118 H155 S156	C118-G120 PolarHBondContact O-N 3.49Å; G120-H155 CarbonylContact O-C 3.57Å; G120-H155 VanDerWaalsContact O-CA 3.3Å; G120-H155 WeakPolarHBondContact O-CA 3.42Å; G120-H155 PolarHBondContact O-ND1 3.45Å; G120-H155 VanDerWaalsContact O-ND1 3.13Å; G120-S156 PolarHBondContact O-N 3.46Å
121	R	85.3	Confident	91	Very high	197 Å²	197	45.2 Å²	45.2	74%	0.743	24%	0.239	S	C	*	.	S	Bend	trans	-88.5	-31.5	-174.9	-65.5	-177.9	-178.1	-179.7	0.7	113.8	T119 H155	T119-R121 PolarHBondContact O-N 3Å; T119-R121 PolarHBondContact OG1-N 3.06Å; R121-H155 VanDerWaalsContact C-ND1 3.32Å; R121-H155 PolarHBondContact O-ND1 3.38Å
122	K	83.1	Confident	91	Very high	113 Å²	113	42.6 Å²	42.6	49%	0.491	22%	0.217	S	C	.	.	S	Bend	trans	-143.2	145.2	-176.9	-71.5	-174.7	-175.1	172.2	0	111.2	D90 I91	D90-K122 IonicContact OD2-NZ 2.82Å; D90-K122 PolarHBondContact OD2-NZ 3.24Å; I91-K122 HydrophobicContact CG1-CB 4.15Å
123	N	86.9	Confident	90.7	Very high	84 Å²	84	44.1 Å²	44.1	45%	0.449	23%	0.225	S	C	.	.			trans	-71.8	137.3	167.2	-65.7	-21.2	0	0	0	109.6	C153 F154 H155 D158	N123-C153 CarbonylContact C-O 3.59Å; N123-C153 WeakPolarHBondContact CA-O 3.41Å; N123-F154 WeakPolarHBondContact OD1-CA 3.37Å; N123-H155 WeakPolarHBondContact OD1-CB 3.43Å; N123-H155 PolarHBondContact OD1-N 3.17Å; N123-D158 PolarHBondContact ND2-OD2 3.36Å
124	G	87.4	Confident	90.5	Very high	23 Å²	23	43.6 Å²	43.6	24%	0.237	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	170.7	170.2	0	0	0	0	0	115.7	C153	G124-C153 PolarHBondContact N-O 3.14Å; G124-C153 PolarHBondContact O-N 3.13Å
125	E	90.3	Very high	89.8	Confident	103 Å²	103	45.1 Å²	45.1	48%	0.481	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131	176.1	-58.2	-175.5	175.8	0	0	110.6	K150 K151 I152	E125-K150 HydrophobicContact CB-CD 4.41Å; E125-K150 HydrophobicContact CB-CG 4.27Å; E125-K150 VanDerWaalsContact OE2-CD 3.28Å; E125-K150 WeakPolarHBondContact OE2-CD 3.44Å; E125-K150 WeakPolarHBondContact OE2-CE 3.35Å; E125-K150 IonicContact OE2-NZ 3.91Å; E125-K150 PolarHBondContact OE2-NZ 2.91Å; E125-K151 CarbonylContact C-O 3.46Å; E125-K151 WeakPolarHBondContact CA-O 3.47Å; E125-I152 HydrophobicContact CG-CG1 4.36Å
126	V	89.8	Confident	88.6	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.1	-179.3	-174.5	0	0	0	0	110.1	K88 I91 M92 K150 K151	K88-V126 HydrophobicContact CB-CG1 4.49Å; K88-V126 HydrophobicContact CB-CG2 4.43Å; I91-V126 HydrophobicContact CB-CG2 3.7Å; I91-V126 HydrophobicContact CD1-CG2 4.3Å; I91-V126 HydrophobicContact CG2-CG2 3.62Å; M92-V126 HydrophobicContact CB-CB 4.4Å; M92-V126 HydrophobicContact CB-CG1 4.37Å; M92-V126 HydrophobicContact CB-CG2 4.08Å; V126-K150 CarbonylContact O-C 3.53Å; V126-K150 WeakPolarHBondContact O-CA 3.44Å; V126-K151 PolarHBondContact N-O 3.5Å; V126-K151 PolarHBondContact O-N 3.29Å
127	G	91.9	Very high	87	Confident	30 Å²	30	49.5 Å²	49.5	31%	0.309	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.9	169.6	0	0	0	0	0	111.8	G87	G87-G127 PolarHBondContact N-O 3.05Å; G87-G127 VanDerWaalsContact N-O 3.15Å
128	I	92.8	Very high	85.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.1	-178.1	-52.9	159.7	0	0	0	108.2	M92 P95 L116 I130 R148 R149 K151	M92-I128 HydrophobicContact CE-CD1 3.65Å; M92-I128 HydrophobicContact CE-CG1 3.66Å; M92-I128 HydrophobicContact SD-CD1 3.72Å; M92-I128 HydrophobicContact SD-CG1 4.21Å; P95-I128 HydrophobicContact CG-CG2 4.35Å; L116-I128 HydrophobicContact CD1-CD1 3.94Å; L116-I128 HydrophobicContact CD2-CD1 3.81Å; L116-I128 HydrophobicContact CG-CD1 4.42Å; I128-I130 HydrophobicContact CG2-CG1 4.15Å; I128-R148 CarbonylContact O-C 3.57Å; I128-R148 WeakPolarHBondContact O-CA 3.37Å; I128-R149 HydrophobicContact CB-CB 4.46Å; I128-R149 PolarHBondContact N-O 2.77Å; I128-R149 PolarHBondContact O-N 2.93Å; I128-K151 HydrophobicContact CD1-CB 3.54Å; I128-K151 HydrophobicContact CG1-CB 4.49Å
129	Q	93	Very high	84.2	Confident	74 Å²	74	50.5 Å²	50.5	35%	0.346	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	113	171	-60	-175.2	-11.8	0	0	108.9	A84 K85 V146 R148	A84-Q129 CarbonylContact C-O 3.49Å; A84-Q129 VanDerWaalsContact CA-O 3.28Å; A84-Q129 WeakPolarHBondContact CA-O 3.44Å; K85-Q129 HydrophobicContact CB-CB 4.41Å; K85-Q129 PolarHBondContact N-O 2.91Å; K85-Q129 PolarHBondContact O-N 3.38Å; Q129-V146 HydrophobicContact CB-CG1 4.09Å; Q129-V146 HydrophobicContact CG-CG1 4.5Å; Q129-R148 HydrophobicContact CG-CG 4.33Å
130	I	94.4	Very high	82.7	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.2	175	-56.6	164.7	0	0	0	107	F68 I82 F97 V114 I128 V132 I147	F68-I130 HydrophobicContact CE2-CD1 4.15Å; F68-I130 HydrophobicContact CZ-CD1 4.02Å; I82-I130 HydrophobicContact CD1-CG2 4.36Å; I82-I130 HydrophobicContact CG1-CG2 4.39Å; F97-I130 HydrophobicContact CE1-CG2 4.1Å; F97-I130 HydrophobicContact CZ-CG2 4.49Å; V114-I130 HydrophobicContact CB-CD1 4.49Å; V114-I130 HydrophobicContact CG1-CD1 4.11Å; V114-I130 HydrophobicContact CG2-CD1 4.28Å; I128-I130 HydrophobicContact CG2-CG1 4.15Å; I130-V132 HydrophobicContact CG2-CG2 4.24Å; I130-I147 HydrophobicContact CB-CB 4.32Å; I130-I147 PolarHBondContact N-O 3.3Å; I130-I147 PolarHBondContact O-N 3.1Å
131	H	94.1	Very high	81.8	Confident	29 Å²	29	63.3 Å²	63.3	13%	0.134	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117	178.3	-65.4	-90.2	0	0	0	108.9	I82 G83 V145 V146	I82-H131 VanDerWaalsContact CA-O 3.3Å; I82-H131 WeakPolarHBondContact CA-O 3.32Å; G83-H131 PolarHBondContact N-O 3.38Å; G83-H131 PolarHBondContact O-N 2.87Å; H131-V145 WeakPolarHBondContact CA-O 3.12Å; H131-V146 WeakPolarHBondContact ND1-CG2 3.45Å
132	V	94	Very high	81.1	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	105.7	171.1	-174.6	0	0	0	0	107.1	L23 I82 I130 V145	L23-V132 HydrophobicContact CD2-CB 4.27Å; L23-V132 HydrophobicContact CD2-CG1 4.27Å; L23-V132 HydrophobicContact CD2-CG2 4.23Å; I82-V132 HydrophobicContact CD1-CG2 3.89Å; I82-V132 HydrophobicContact CG1-CG2 4.07Å; I130-V132 HydrophobicContact CG2-CG2 4.24Å; V132-V145 HydrophobicContact CB-CB 4.33Å; V132-V145 PolarHBondContact N-O 3.5Å; V132-V145 WeakPolarHBondContact O-CB 3.4Å; V132-V145 PolarHBondContact O-N 3.18Å
133	N	91	Very high	81.1	Confident	36 Å²	36	54.6 Å²	54.6	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.3	175.2	-55.5	-24	0	0	0	108.7	Y80 S81 V142 S143 N144	Y80-N133 CarbonylContact C-O 3.59Å; Y80-N133 VanDerWaalsContact CA-O 3.23Å; Y80-N133 WeakPolarHBondContact CA-O 3.32Å; S81-N133 PolarHBondContact N-O 2.97Å; S81-N133 PolarHBondContact O-N 2.85Å; N133-V142 HydrophobicContact CB-CG1 3.89Å; N133-S143 VanDerWaalsContact CA-O 3.27Å; N133-S143 WeakPolarHBondContact CA-O 3.35Å; N133-N144 WeakPolarHBondContact OD1-CA 3.49Å; N133-N144 PolarHBondContact OD1-ND2 3.24Å; N133-N144 PolarHBondContact OD1-OD1 2.91Å
134	Y	89	Confident	81.1	Confident	6 Å²	6	54.4 Å²	54.4	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.2	173.5	63.1	-88.6	0	0	0	110.8	V21 V78 Y79 M105 S143 V145	V21-Y134 HydrophobicContact CB-CE2 4.21Å; V21-Y134 HydrophobicContact CG1-CE1 4.31Å; V21-Y134 HydrophobicContact CG1-CE2 4.33Å; V21-Y134 HydrophobicContact CG2-CD2 4.19Å; V21-Y134 HydrophobicContact CG2-CE2 4.07Å; V78-Y134 HydrophobicContact CG1-CD2 4.06Å; V78-Y134 HydrophobicContact CG1-CG 4.39Å; Y79-Y134 CarbonylContact O-C 3.57Å; Y79-Y134 VanDerWaalsContact O-CA 3.27Å; Y79-Y134 WeakPolarHBondContact O-CA 3.44Å; M105-Y134 HydrophobicContact CE-CD1 4.4Å; M105-Y134 HydrophobicContact CE-CG 4.17Å; Y134-S143 VanDerWaalsContact CZ-CB 3.45Å; Y134-S143 PolarHBondContact N-O 3.49Å; Y134-S143 PolarHBondContact O-N 3.47Å; Y134-V145 HydrophobicContact CD1-CG2 4.35Å; Y134-V145 HydrophobicContact CE1-CG2 3.73Å
135	T	81.8	Confident	81.3	Confident	32 Å²	32	53.3 Å²	53.3	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.1	-169.7	-43.3	0	0	0	0	110.4	Y79 S138 V142	Y79-T135 PolarHBondContact O-N 3.1Å; T135-S138 VanDerWaalsContact CG2-O 3.23Å; T135-S138 WeakPolarHBondContact CG2-O 3.46Å; T135-V142 HydrophobicContact CG2-CG2 4.02Å
136	W	68.6	Low	81.4	Confident	42 Å²	42	49.9 Å²	49.9	16%	0.159	27%	0.273	C	S	.	.			trans	-162.7	146.8	-179.2	-176.2	85.9	0	0	0	111.9	S17 C19 V78 S138	S17-W136 WeakPolarHBondContact O-CH2 3.47Å; S17-W136 WeakPolarHBondContact O-CZ3 3.3Å; C19-W136 HydrophobicContact CB-CD2 3.68Å; C19-W136 HydrophobicContact CB-CE3 3.23Å; C19-W136 HydrophobicContact CB-CG 4.25Å; C19-W136 HydrophobicContact CB-CZ3 3.71Å; C19-W136 VanDerWaalsContact SG-CB 3.52Å; V78-W136 HydrophobicContact CG1-CB 4.42Å; V78-W136 HydrophobicContact CG2-CB 4.14Å; V78-W136 HydrophobicContact CG2-CG 4.05Å; W136-S138 VanDerWaalsContact C-N 3.3Å
137	P	60.6	Low	81.6	Confident	77 Å²	77	49.9 Å²	49.9	50%	0.5	27%	0.273	S	S	.	.	S	Bend	cis	-80.7	-12.9	-16.7	33.2	-31.1	0	0	0	111.6
138	S	61.6	Low	81.6	Confident	45 Å²	45	53.2 Å²	53.2	32%	0.315	28%	0.276	S	S	.	.	S	Bend	trans	-107.1	142.7	179.8	-177.9	0	0	0	0	110.5	T135 W136 R140 N141	T135-S138 VanDerWaalsContact CG2-O 3.23Å; T135-S138 WeakPolarHBondContact CG2-O 3.46Å; W136-S138 VanDerWaalsContact C-N 3.3Å; S138-R140 PolarHBondContact O-N 3.33Å; S138-N141 PolarHBondContact O-N 3.48Å; S138-N141 VanDerWaalsContact O-N 3.08Å
139	P	58.8	Low	81.6	Confident	112 Å²	112	53.6 Å²	53.6	73%	0.727	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-10.7	173.9	20.3	-31.4	0	0	0	114.7
140	R	58	Low	81.6	Confident	220 Å²	220	53.6 Å²	53.6	83%	0.83	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.7	178.9	-59	-173.3	-171.7	-167.3	2.5	114.2	S138	S138-R140 PolarHBondContact O-N 3.33Å
141	N	65.1	Low	81.5	Confident	102 Å²	102	53.5 Å²	53.5	55%	0.545	28%	0.276	S	S	.	.			trans	-104.4	85.5	-177.9	-74	0.1	0	0	0	109.9	S138	S138-N141 PolarHBondContact O-N 3.48Å; S138-N141 VanDerWaalsContact O-N 3.08Å
142	V	71.5	Confident	81.4	Confident	80 Å²	80	54.4 Å²	54.4	49%	0.485	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.8	178	-175.5	0	0	0	0	109.3	N133 T135	N133-V142 HydrophobicContact CB-CG1 3.89Å; T135-V142 HydrophobicContact CG2-CG2 4.02Å
143	S	82.5	Confident	81.2	Confident	47 Å²	47	54.3 Å²	54.3	33%	0.329	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.5	169	-65.5	0	0	0	0	109.3	N133 Y134	N133-S143 VanDerWaalsContact CA-O 3.27Å; N133-S143 WeakPolarHBondContact CA-O 3.35Å; Y134-S143 VanDerWaalsContact CZ-CB 3.45Å; Y134-S143 PolarHBondContact N-O 3.49Å; Y134-S143 PolarHBondContact O-N 3.47Å
144	N	87.1	Confident	81	Confident	80 Å²	80	57.4 Å²	57.4	43%	0.428	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.2	-178.9	-172.2	-51.9	0	0	0	110.6	N133 V146	N133-N144 WeakPolarHBondContact OD1-CA 3.49Å; N133-N144 PolarHBondContact OD1-ND2 3.24Å; N133-N144 PolarHBondContact OD1-OD1 2.91Å; N144-V146 WeakPolarHBondContact OD1-CG2 3.38Å
145	V	91.2	Very high	80.8	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.9	176.8	-168.8	0	0	0	0	109	L23 V43 L48 L53 H131 V132 Y134 I147	L23-V145 HydrophobicContact CD2-CG1 4.32Å; V43-V145 HydrophobicContact CG2-CG1 4.25Å; V43-V145 HydrophobicContact CG2-CG2 3.77Å; L48-V145 HydrophobicContact CD2-CG2 3.74Å; L53-V145 HydrophobicContact CD1-CG1 4.37Å; L53-V145 HydrophobicContact CD2-CG1 3.66Å; H131-V145 WeakPolarHBondContact CA-O 3.12Å; V132-V145 HydrophobicContact CB-CB 4.33Å; V132-V145 PolarHBondContact N-O 3.5Å; V132-V145 WeakPolarHBondContact O-CB 3.4Å; V132-V145 PolarHBondContact O-N 3.18Å; Y134-V145 HydrophobicContact CD1-CG2 4.35Å; Y134-V145 HydrophobicContact CE1-CG2 3.73Å; V145-I147 HydrophobicContact CG1-CG1 4.16Å
146	V	92.9	Very high	80.4	Confident	30 Å²	30	61.8 Å²	61.8	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.2	178.6	-170	0	0	0	0	110.5	Q129 H131 N144 R148	Q129-V146 HydrophobicContact CB-CG1 4.09Å; Q129-V146 HydrophobicContact CG-CG1 4.5Å; H131-V146 WeakPolarHBondContact ND1-CG2 3.45Å; N144-V146 WeakPolarHBondContact OD1-CG2 3.38Å; V146-R148 HydrophobicContact CG1-CG 4.34Å
147	I	93.5	Very high	80.3	Confident	2 Å²	2	63 Å²	63	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.8	177.9	-57.2	173.3	0	0	0	109	L23 Y42 L53 F68 I130 V145 R149	L23-I147 HydrophobicContact CD2-CD1 4.07Å; Y42-I147 HydrophobicContact CD1-CD1 4.16Å; Y42-I147 HydrophobicContact CD1-CG1 3.88Å; Y42-I147 HydrophobicContact CD1-CG2 4.47Å; Y42-I147 HydrophobicContact CD2-CD1 3.81Å; Y42-I147 HydrophobicContact CD2-CG1 4.45Å; Y42-I147 HydrophobicContact CE1-CB 4.44Å; Y42-I147 HydrophobicContact CE1-CD1 4.33Å; Y42-I147 HydrophobicContact CE1-CG1 4.03Å; Y42-I147 HydrophobicContact CE1-CG2 3.76Å; Y42-I147 HydrophobicContact CE2-CD1 4.03Å; Y42-I147 HydrophobicContact CE2-CG2 4.48Å; Y42-I147 HydrophobicContact CG-CD1 3.88Å; Y42-I147 HydrophobicContact CG-CG1 4.09Å; L53-I147 HydrophobicContact CD2-CG1 4.18Å; F68-I147 HydrophobicContact CD1-CD1 4.3Å; F68-I147 HydrophobicContact CE1-CD1 3.84Å; F68-I147 HydrophobicContact CE1-CG2 4.37Å; I130-I147 HydrophobicContact CB-CB 4.32Å; I130-I147 PolarHBondContact N-O 3.3Å; I130-I147 PolarHBondContact O-N 3.1Å; V145-I147 HydrophobicContact CG1-CG1 4.16Å; I147-R149 HydrophobicContact CG2-CG 4.49Å
148	R	92.8	Very high	80.2	Confident	100 Å²	100	63 Å²	63	38%	0.377	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.3	-177.5	-57.1	-174.2	179.6	125.8	-4.1	111.3	Q56 V57 I128 Q129 V146	Q56-R148 HydrophobicContact CB-CB 4.23Å; Q56-R148 HydrophobicContact CG-CB 4.13Å; V57-R148 PolarHBondContact N-O 3.25Å; I128-R148 CarbonylContact O-C 3.57Å; I128-R148 WeakPolarHBondContact O-CA 3.37Å; Q129-R148 HydrophobicContact CG-CG 4.33Å; V146-R148 HydrophobicContact CG1-CG 4.34Å
149	R	92.2	Very high	79.8	Confident	8 Å²	8	63.2 Å²	63.2	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	157	175.7	-61.5	-59.6	-177.6	99.7	8.7	111.2	Y42 Q56 V57 V59 L66 I128 I147	Y42-R149 PolarHBondContact OH-NH2 3.39Å; Q56-R149 PolarHBondContact NE2-O 2.88Å; V57-R149 CarbonylContact O-C 3.53Å; V57-R149 WeakPolarHBondContact O-CA 3.44Å; V59-R149 HydrophobicContact CG2-CB 4.09Å; V59-R149 HydrophobicContact CG2-CG 4.38Å; L66-R149 HydrophobicContact CD1-CG 4.11Å; I128-R149 HydrophobicContact CB-CB 4.46Å; I128-R149 PolarHBondContact N-O 2.77Å; I128-R149 PolarHBondContact O-N 2.93Å; I147-R149 HydrophobicContact CG2-CG 4.49Å
150	K	92.5	Very high	79.4	Confident	73 Å²	73	63 Å²	63	32%	0.317	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	103.7	174.6	178.3	-172.6	-89.6	-153.4	0	109	Q56 V57 P58 V59 E125 V126	Q56-K150 HydrophobicContact CG-CB 3.95Å; V57-K150 PolarHBondContact O-N 3.23Å; P58-K150 CarbonylContact C-O 3.58Å; P58-K150 VanDerWaalsContact CA-O 3.28Å; P58-K150 WeakPolarHBondContact CA-O 3.38Å; V59-K150 PolarHBondContact N-O 2.88Å; E125-K150 HydrophobicContact CB-CD 4.41Å; E125-K150 HydrophobicContact CB-CG 4.27Å; E125-K150 VanDerWaalsContact OE2-CD 3.28Å; E125-K150 WeakPolarHBondContact OE2-CD 3.44Å; E125-K150 WeakPolarHBondContact OE2-CE 3.35Å; E125-K150 IonicContact OE2-NZ 3.91Å; E125-K150 PolarHBondContact OE2-NZ 2.91Å; V126-K150 CarbonylContact O-C 3.53Å; V126-K150 WeakPolarHBondContact O-CA 3.44Å
151	K	93.5	Very high	78.9	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.3	178.4	177.8	67	-179.2	175.6	0	110.2	V59 P60 D61 I63 M92 L116 C118 E125 V126 I128	V59-K151 HydrophobicContact CB-CD 4.17Å; V59-K151 HydrophobicContact CG1-CD 3.99Å; P60-K151 PolarHBondContact O-NZ 3.47Å; D61-K151 PolarHBondContact O-NZ 3.33Å; I63-K151 PolarHBondContact O-NZ 3.02Å; M92-K151 HydrophobicContact SD-CB 3.84Å; M92-K151 HydrophobicContact SD-CG 3.72Å; L116-K151 HydrophobicContact CB-CD 4.42Å; C118-K151 WeakPolarHBondContact SG-CE 3.33Å; E125-K151 CarbonylContact C-O 3.46Å; E125-K151 WeakPolarHBondContact CA-O 3.47Å; V126-K151 PolarHBondContact N-O 3.5Å; V126-K151 PolarHBondContact O-N 3.29Å; I128-K151 HydrophobicContact CD1-CB 3.54Å; I128-K151 HydrophobicContact CG1-CB 4.49Å
152	I	91.2	Very high	77.9	Confident	47 Å²	47	59 Å²	59	24%	0.241	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.5	170.7	-54	171.8	0	0	0	106.8	V59 D61 E125 F154	V59-I152 PolarHBondContact O-N 2.97Å; D61-I152 WeakPolarHBondContact CA-O 3.25Å; D61-I152 WeakPolarHBondContact CB-O 3.49Å; D61-I152 PolarHBondContact N-O 3.46Å; E125-I152 HydrophobicContact CG-CG1 4.36Å; I152-F154 HydrophobicContact CG2-CE2 4.19Å; I152-F154 HydrophobicContact CG2-CZ 4.05Å
153	C	90.5	Very high	76.1	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.007	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.4	179.8	-73.5	0	0	0	0	111	D61 I91 C118 N123 G124	D61-C153 VanDerWaalsContact OD1-CA 3.31Å; D61-C153 WeakPolarHBondContact OD1-CA 3.43Å; I91-C153 HydrophobicContact CG2-CB 3.65Å; C118-C153 VanDerWaalsContact CA-SG 3.58Å; C118-C153 HydrophobicContact CB-CB 3.58Å; C118-C153 WeakPolarHBondContact CB-SG 3.29Å; C118-C153 WeakPolarHBondContact SG-CA 3.29Å; C118-C153 WeakPolarHBondContact SG-CB 3.31Å; C118-C153 CovalentContact SG-SG 2.03Å; C118-C153 PolarHBondContact SG-SG 3.45Å; N123-C153 CarbonylContact C-O 3.59Å; N123-C153 WeakPolarHBondContact CA-O 3.41Å; G124-C153 PolarHBondContact N-O 3.14Å; G124-C153 PolarHBondContact O-N 3.13Å
154	F	87.2	Confident	73.6	Confident	100 Å²	100	65.5 Å²	65.5	44%	0.439	36%	0.355	S	S	.	.			trans	-110.4	158.9	172.2	-64.1	-67.8	0	0	0	112.8	D61 N123 I152	D61-F154 HydrophobicContact CB-CD2 3.37Å; D61-F154 HydrophobicContact CB-CE2 3.73Å; D61-F154 HydrophobicContact CB-CG 4.44Å; D61-F154 PolarHBondContact OD1-N 3.46Å; N123-F154 WeakPolarHBondContact OD1-CA 3.37Å; I152-F154 HydrophobicContact CG2-CE2 4.19Å; I152-F154 HydrophobicContact CG2-CZ 4.05Å
155	H	83.4	Confident	70.8	Confident	60 Å²	60	64.4 Å²	64.4	28%	0.278	35%	0.354	S	S	.	.			trans	-79.8	142.5	177.3	176.1	87.7	0	0	0	109.6	G120 R121 N123 S157 D158 A159	G120-H155 CarbonylContact O-C 3.57Å; G120-H155 VanDerWaalsContact O-CA 3.3Å; G120-H155 WeakPolarHBondContact O-CA 3.42Å; G120-H155 PolarHBondContact O-ND1 3.45Å; G120-H155 VanDerWaalsContact O-ND1 3.13Å; R121-H155 VanDerWaalsContact C-ND1 3.32Å; R121-H155 PolarHBondContact O-ND1 3.38Å; N123-H155 WeakPolarHBondContact OD1-CB 3.43Å; N123-H155 PolarHBondContact OD1-N 3.17Å; H155-S157 VanDerWaalsContact C-N 3.28Å; H155-S157 PolarHBondContact CD2-N 2.84Å; H155-S157 PolarHBondContact CD2-OG 3.45Å; H155-S157 PolarHBondContact NE2-OG 3.34Å; H155-S157 PolarHBondContact O-N 2.88Å; H155-S157 VanDerWaalsContact O-N 3.15Å; H155-D158 WeakPolarHBondContact O-CB 3.46Å; H155-D158 PolarHBondContact O-N 2.89Å; H155-A159 PolarHBondContact O-N 2.64Å
156	S	74.3	Confident	68.1	Low	71 Å²	71	69.1 Å²	69.1	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-31.9	-169.6	52	0	0	0	0	114.6	G120 D158 A159	G120-S156 PolarHBondContact O-N 3.46Å; S156-D158 VanDerWaalsContact C-N 3.3Å; S156-D158 PolarHBondContact O-N 3.4Å; S156-A159 PolarHBondContact O-N 3.2Å
157	S	65.7	Low	64.9	Low	68 Å²	68	76.6 Å²	76.6	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-68.2	-28	175.6	70.9	0	0	0	0	113.7	H155 T161	H155-S157 VanDerWaalsContact C-N 3.28Å; H155-S157 PolarHBondContact CD2-N 2.84Å; H155-S157 PolarHBondContact CD2-OG 3.45Å; H155-S157 PolarHBondContact NE2-OG 3.34Å; H155-S157 PolarHBondContact O-N 2.88Å; H155-S157 VanDerWaalsContact O-N 3.15Å; S157-T161 PolarHBondContact O-OG1 3.29Å
158	D	58.4	Low	62.2	Low	75 Å²	75	80.4 Å²	80.4	40%	0.401	46%	0.462	S	S	.	.	H	α-helix	trans	-81.1	-21.5	178.1	-63.9	-20.4	0	0	0	111.3	N123 H155 S156 T161	N123-D158 PolarHBondContact ND2-OD2 3.36Å; H155-D158 WeakPolarHBondContact O-CB 3.46Å; H155-D158 PolarHBondContact O-N 2.89Å; S156-D158 VanDerWaalsContact C-N 3.3Å; S156-D158 PolarHBondContact O-N 3.4Å; D158-T161 WeakPolarHBondContact CA-OG1 3.38Å; D158-T161 PolarHBondContact O-OG1 3.22Å
159	A	54.3	Low	59.2	Low	51 Å²	51	84.6 Å²	84.6	42%	0.421	48%	0.478	S	S	.	.	H	α-helix	trans	-73.4	-35	176.2	0	0	0	0	0	112.5	H155 S156 T161	H155-A159 PolarHBondContact O-N 2.64Å; S156-A159 PolarHBondContact O-N 3.2Å; A159-T161 PolarHBondContact O-N 3.42Å
160	D	49.5	Very low	56.5	Low	106 Å²	106	89.7 Å²	89.7	57%	0.567	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-12	175.9	-80.4	-27.5	0	0	0	113.4	L162 H164	D160-L162 PolarHBondContact O-N 3.23Å; D160-H164 IonicContact OD1-CD2 3.91Å; D160-H164 IonicContact OD1-CE1 3.49Å; D160-H164 PolarHBondContact OD1-CE1 2.97Å; D160-H164 IonicContact OD1-NE2 2.76Å; D160-H164 PolarHBondContact OD1-NE2 3.28Å
161	T	48.8	Very low	54.2	Low	110 Å²	110	91.1 Å²	91.1	68%	0.675	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	6.1	176.6	-5.7	0	0	0	0	113.5	S157 D158 A159	S157-T161 PolarHBondContact O-OG1 3.29Å; D158-T161 WeakPolarHBondContact CA-OG1 3.38Å; D158-T161 PolarHBondContact O-OG1 3.22Å; A159-T161 PolarHBondContact O-N 3.42Å
162	L	43.5	Very low	51.7	Low	130 Å²	130	95.5 Å²	95.5	68%	0.681	56%	0.556	S	S	*	*	S	Bend	trans	-89.2	132.4	158	-73	159.7	0	0	0	108.2	D160 H164	D160-L162 PolarHBondContact O-N 3.23Å; L162-H164 PolarHBondContact O-N 3.17Å; L162-H164 VanDerWaalsContact O-N 3.14Å
163	P	32.4	Very low	49.4	Very low	111 Å²	111	94.8 Å²	94.8	72%	0.721	56%	0.56	S	S	*	*			trans	-61.2	119.4	-159.7	19.7	-29.6	0	0	0	113.6	S165	P163-S165 VanDerWaalsContact C-N 3.26Å; P163-S165 PolarHBondContact O-N 3.46Å
164	H	30.3	Very low	47.4	Very low	152 Å²	152	103.5 Å²	103.5	70%	0.704	59%	0.593	S	S	*	*			trans	-67.1	79	164.4	-79.6	-69	0	0	0	111	D160 L162	D160-H164 IonicContact OD1-CD2 3.91Å; D160-H164 IonicContact OD1-CE1 3.49Å; D160-H164 PolarHBondContact OD1-CE1 2.97Å; D160-H164 IonicContact OD1-NE2 2.76Å; D160-H164 PolarHBondContact OD1-NE2 3.28Å; L162-H164 PolarHBondContact O-N 3.17Å; L162-H164 VanDerWaalsContact O-N 3.14Å
165	S	29.2	Very low	45.7	Very low	57 Å²	57	102.5 Å²	102.5	40%	0.399	60%	0.603	S	S	.	*			trans	-117	86.5	149.1	65.1	0	0	0	0	108.4	P163 K167 W169	P163-S165 VanDerWaalsContact C-N 3.26Å; P163-S165 PolarHBondContact O-N 3.46Å; S165-K167 PolarHBondContact O-N 3.16Å; S165-W169 WeakPolarHBondContact OG-CH2 3.42Å; S165-W169 WeakPolarHBondContact OG-CZ3 3.28Å
166	A	34.2	Very low	44.7	Very low	98 Å²	98	102.7 Å²	102.7	81%	0.81	61%	0.609	S	S	*	*			trans	-62.6	99.5	159.6	0	0	0	0	0	108.4
167	K	26.4	Very low	44.3	Very low	188 Å²	188	103.7 Å²	103.7	82%	0.817	61%	0.609	S	S	*	*	S	Bend	trans	-176.7	129.2	154	-102.7	156.7	-173.7	-178.7	0	107.4	S165 W169	S165-K167 PolarHBondContact O-N 3.16Å; K167-W169 PolarHBondContact O-N 2.83Å
168	G	37	Very low	44.7	Very low	81 Å²	81	104.5 Å²	104.5	84%	0.835	61%	0.611	S	S	*	*			trans	-42.1	110.2	-165.1	0	0	0	0	0	114.1	S170	G168-S170 VanDerWaalsContact C-N 3.35Å; G168-S170 PolarHBondContact O-N 3.16Å
169	W	28.1	Very low	45.6	Very low	189 Å²	189	107 Å²	107	72%	0.716	62%	0.618	S	S	*	*			trans	-96.3	74.2	165.2	-84.8	-22.3	0	0	0	109.5	S165 K167 D171	S165-W169 WeakPolarHBondContact OG-CH2 3.42Å; S165-W169 WeakPolarHBondContact OG-CZ3 3.28Å; K167-W169 PolarHBondContact O-N 2.83Å; W169-D171 PolarHBondContact O-N 3.03Å
170	S	36.3	Very low	46.9	Very low	115 Å²	115	111.7 Å²	111.7	80%	0.804	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn		-55.6	80.6	128.8	169.7	0	0	0	0	107.9	G168	G168-S170 VanDerWaalsContact C-N 3.35Å; G168-S170 PolarHBondContact O-N 3.16Å
171	D	44	Very low	48.4	Very low	103 Å²	103	112.4 Å²	112.4	55%	0.551	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167.2	20	154.8	-114.4	-6	0	0	0	115.2	W169 G173 R174	W169-D171 PolarHBondContact O-N 3.03Å; D171-G173 PolarHBondContact O-N 3.06Å; D171-R174 PolarHBondContact O-N 2.86Å; D171-R174 VanDerWaalsContact O-N 3.14Å
172	S	41.3	Very low	50.1	Low	92 Å²	92	110.7 Å²	110.7	64%	0.643	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	1.5	164	33.1	0	0	0	0	113.7	R174 T176	S172-R174 VanDerWaalsContact C-N 3.31Å; S172-T176 PolarHBondContact O-OG1 3.09Å
173	G	43.7	Very low	52.2	Low	32 Å²	32	107.3 Å²	107.3	33%	0.33	60%	0.603	S	S	.	*	H	α-helix	trans	-62.4	-32.7	164.1	0	0	0	0	0	112.9	D171 T176 N177	D171-G173 PolarHBondContact O-N 3.06Å; G173-T176 PolarHBondContact O-OG1 2.94Å; G173-T176 VanDerWaalsContact O-OG1 3.11Å; G173-N177 WeakPolarHBondContact O-CB 3.42Å; G173-N177 PolarHBondContact O-N 3.08Å; G173-N177 PolarHBondContact O-ND2 2.69Å; G173-N177 PolarHBondContact O-OD1 3.23Å
174	R	46.7	Very low	54.8	Low	184 Å²	184	104 Å²	104	69%	0.694	59%	0.589	S	S	*	*	H	α-helix	trans	-74.8	-42.1	-170.2	-156.5	176.3	-79.8	-180	-2.8	113.9	D171 S172 N177 V178	D171-R174 PolarHBondContact O-N 2.86Å; D171-R174 VanDerWaalsContact O-N 3.14Å; S172-R174 VanDerWaalsContact C-N 3.31Å; R174-N177 PolarHBondContact O-N 3.23Å; R174-V178 VanDerWaalsContact O-CG2 3.31Å; R174-V178 WeakPolarHBondContact O-CG2 3.45Å; R174-V178 PolarHBondContact O-N 3.37Å
175	A	52	Low	57.6	Low	79 Å²	79	99 Å²	99	65%	0.653	58%	0.579	S	S	*	*	H	α-helix	trans	-73.9	-38.7	179.9	0	0	0	0	0	112.7	V178 F179	A175-V178 PolarHBondContact O-N 2.91Å; A175-F179 PolarHBondContact O-N 3.38Å; A175-F179 VanDerWaalsContact O-N 3.11Å
176	T	63.4	Low	60.6	Low	65 Å²	65	101.3 Å²	101.3	40%	0.399	59%	0.586	S	S	.	*	H	α-helix	trans	-63.7	-43.9	171.7	48.4	0	0	0	0	110.4	S172 G173 V178 F179 Y180	S172-T176 PolarHBondContact O-OG1 3.09Å; G173-T176 PolarHBondContact O-OG1 2.94Å; G173-T176 VanDerWaalsContact O-OG1 3.11Å; T176-V178 VanDerWaalsContact C-N 3.34Å; T176-V178 PolarHBondContact O-N 2.95Å; T176-F179 WeakPolarHBondContact O-CB 3.42Å; T176-F179 PolarHBondContact O-N 3.43Å; T176-Y180 WeakPolarHBondContact O-CD2 3.49Å; T176-Y180 PolarHBondContact O-N 3.31Å
177	N	66	Low	63.3	Low	92 Å²	92	102.8 Å²	102.8	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-60.2	-40.6	175.4	-70.5	-14.9	0	0	0	112.3	G173 R174 F179 Y180 I181	G173-N177 WeakPolarHBondContact O-CB 3.42Å; G173-N177 PolarHBondContact O-N 3.08Å; G173-N177 PolarHBondContact O-ND2 2.69Å; G173-N177 PolarHBondContact O-OD1 3.23Å; R174-N177 PolarHBondContact O-N 3.23Å; N177-F179 PolarHBondContact O-N 3.44Å; N177-Y180 PolarHBondContact O-N 2.92Å; N177-I181 HydrophobicContact CB-CD1 4.49Å; N177-I181 VanDerWaalsContact O-CB 3.29Å; N177-I181 WeakPolarHBondContact O-CB 3.45Å; N177-I181 VanDerWaalsContact O-CD1 3.31Å; N177-I181 WeakPolarHBondContact O-CD1 3.38Å; N177-I181 WeakPolarHBondContact O-CG1 3.43Å; N177-I181 PolarHBondContact O-N 3.24Å
178	V	74.1	Confident	66.5	Low	85 Å²	85	95.3 Å²	95.3	52%	0.515	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-41.5	176.6	173.3	0	0	0	0	111.5	R174 A175 T176 I181 S182	R174-V178 VanDerWaalsContact O-CG2 3.31Å; R174-V178 WeakPolarHBondContact O-CG2 3.45Å; R174-V178 PolarHBondContact O-N 3.37Å; A175-V178 PolarHBondContact O-N 2.91Å; T176-V178 VanDerWaalsContact C-N 3.34Å; T176-V178 PolarHBondContact O-N 2.95Å; V178-I181 PolarHBondContact O-N 3.41Å; V178-S182 WeakPolarHBondContact O-CB 3.44Å; V178-S182 PolarHBondContact O-N 3.4Å; V178-S182 PolarHBondContact O-OG 2.82Å
179	F	76.5	Confident	69.2	Low	127 Å²	127	96.3 Å²	96.3	56%	0.557	54%	0.537	S	S	*	.	H	α-helix	trans	-61.4	-46.3	174.9	-178.8	-103.2	0	0	0	111.9	A175 T176 N177 S182 I183	A175-F179 PolarHBondContact O-N 3.38Å; A175-F179 VanDerWaalsContact O-N 3.11Å; T176-F179 WeakPolarHBondContact O-CB 3.42Å; T176-F179 PolarHBondContact O-N 3.43Å; N177-F179 PolarHBondContact O-N 3.44Å; F179-S182 WeakPolarHBondContact O-CB 3.22Å; F179-S182 PolarHBondContact O-N 3.49Å; F179-I183 HydrophobicContact CD1-CD1 3.8Å; F179-I183 HydrophobicContact CE1-CD1 3.27Å; F179-I183 HydrophobicContact CE1-CG1 4.48Å; F179-I183 HydrophobicContact CE2-CD1 4.16Å; F179-I183 HydrophobicContact CG-CD1 4.44Å; F179-I183 HydrophobicContact CZ-CD1 3.49Å; F179-I183 VanDerWaalsContact CZ-CD1 3.49Å; F179-I183 PolarHBondContact O-N 3.32Å
180	Y	82	Confident	72.4	Confident	150 Å²	150	91.8 Å²	91.8	59%	0.588	53%	0.526	S	S	*	.	H	α-helix	trans	-70.3	-33	178.4	-69	-62.4	0	0	0	113.4	T176 N177 S182 I183 G184	T176-Y180 WeakPolarHBondContact O-CD2 3.49Å; T176-Y180 PolarHBondContact O-N 3.31Å; N177-Y180 PolarHBondContact O-N 2.92Å; Y180-S182 VanDerWaalsContact C-N 3.31Å; Y180-I183 PolarHBondContact O-N 3.31Å; Y180-G184 PolarHBondContact O-N 2.78Å
181	I	81.7	Confident	75.1	Confident	120 Å²	120	90.3 Å²	90.3	62%	0.615	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-40.4	171.8	-71.2	162.1	0	0	0	110.1	N177 V178 G184 G185	N177-I181 HydrophobicContact CB-CD1 4.49Å; N177-I181 VanDerWaalsContact O-CB 3.29Å; N177-I181 WeakPolarHBondContact O-CB 3.45Å; N177-I181 VanDerWaalsContact O-CD1 3.31Å; N177-I181 WeakPolarHBondContact O-CD1 3.38Å; N177-I181 WeakPolarHBondContact O-CG1 3.43Å; N177-I181 PolarHBondContact O-N 3.24Å; V178-I181 PolarHBondContact O-N 3.41Å; I181-G184 PolarHBondContact O-N 3.33Å; I181-G185 PolarHBondContact O-N 3.03Å
182	S	84	Confident	77.6	Confident	74 Å²	74	90.1 Å²	90.1	52%	0.517	51%	0.51	S	S	.	.	H	α-helix	trans	-65.1	-44.7	178.6	-53.1	0	0	0	0	111.7	V178 F179 Y180 G185 L186	V178-S182 WeakPolarHBondContact O-CB 3.44Å; V178-S182 PolarHBondContact O-N 3.4Å; V178-S182 PolarHBondContact O-OG 2.82Å; F179-S182 WeakPolarHBondContact O-CB 3.22Å; F179-S182 PolarHBondContact O-N 3.49Å; Y180-S182 VanDerWaalsContact C-N 3.31Å; S182-G185 PolarHBondContact O-N 3.11Å; S182-L186 PolarHBondContact O-N 3.03Å; S182-L186 VanDerWaalsContact O-N 3.14Å
183	I	87.4	Confident	80.1	Confident	59 Å²	59	90 Å²	90	30%	0.303	50%	0.501	S	S	.	.	H	α-helix	trans	-65.2	-44.2	175.2	-69.9	174	0	0	0	110.9	F179 Y180 G185 L186 F187	F179-I183 HydrophobicContact CD1-CD1 3.8Å; F179-I183 HydrophobicContact CE1-CD1 3.27Å; F179-I183 HydrophobicContact CE1-CG1 4.48Å; F179-I183 HydrophobicContact CE2-CD1 4.16Å; F179-I183 HydrophobicContact CG-CD1 4.44Å; F179-I183 HydrophobicContact CZ-CD1 3.49Å; F179-I183 VanDerWaalsContact CZ-CD1 3.49Å; F179-I183 PolarHBondContact O-N 3.32Å; Y180-I183 PolarHBondContact O-N 3.31Å; I183-G185 VanDerWaalsContact C-N 3.29Å; I183-G185 PolarHBondContact O-N 3.12Å; I183-L186 WeakPolarHBondContact O-CB 3.38Å; I183-L186 PolarHBondContact O-N 3.24Å; I183-L186 VanDerWaalsContact O-N 3.15Å; I183-F187 HydrophobicContact CG2-CD2 3.64Å; I183-F187 HydrophobicContact CG2-CE2 3.65Å; I183-F187 WeakPolarHBondContact O-CD2 3.45Å; I183-F187 PolarHBondContact O-N 3.46Å
184	G	86.6	Confident	82.5	Confident	42 Å²	42	90.8 Å²	90.8	43%	0.433	51%	0.505	S	S	.	.	H	α-helix	trans	-59.2	-39.4	176.4	0	0	0	0	0	112.6	Y180 I181 F187 G188	Y180-G184 PolarHBondContact O-N 2.78Å; I181-G184 PolarHBondContact O-N 3.33Å; G184-F187 PolarHBondContact O-N 3.5Å; G184-G188 PolarHBondContact O-N 3.02Å
185	G	89.3	Confident	84.8	Confident	47 Å²	47	87.1 Å²	87.1	49%	0.485	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-42.1	173.9	0	0	0	0	0	113	I181 S182 I183 G188 L189	I181-G185 PolarHBondContact O-N 3.03Å; S182-G185 PolarHBondContact O-N 3.11Å; I183-G185 VanDerWaalsContact C-N 3.29Å; I183-G185 PolarHBondContact O-N 3.12Å; G185-G188 PolarHBondContact O-N 3.33Å; G185-L189 PolarHBondContact O-N 3.47Å
186	L	91.7	Very high	86.9	Confident	105 Å²	105	88.7 Å²	88.7	55%	0.55	50%	0.495	S	S	.	.	H	α-helix	trans	-64.1	-46.4	176.8	-167.8	80.8	0	0	0	111.7	S182 I183 L189 I190	S182-L186 PolarHBondContact O-N 3.03Å; S182-L186 VanDerWaalsContact O-N 3.14Å; I183-L186 WeakPolarHBondContact O-CB 3.38Å; I183-L186 PolarHBondContact O-N 3.24Å; I183-L186 VanDerWaalsContact O-N 3.15Å; L186-L189 WeakPolarHBondContact O-CB 3.46Å; L186-L189 PolarHBondContact O-N 3.38Å; L186-I190 HydrophobicContact CG-CD1 4.43Å; L186-I190 WeakPolarHBondContact O-CG1 3.45Å; L186-I190 PolarHBondContact O-N 2.9Å
187	F	91.8	Very high	88.3	Confident	129 Å²	129	89.7 Å²	89.7	57%	0.566	50%	0.497	S	S	*	.	H	α-helix	trans	-64.6	-39.5	176.1	-84.6	-77.2	0	0	0	112.1	I183 G184 L189 I190 V191	I183-F187 HydrophobicContact CG2-CD2 3.64Å; I183-F187 HydrophobicContact CG2-CE2 3.65Å; I183-F187 WeakPolarHBondContact O-CD2 3.45Å; I183-F187 PolarHBondContact O-N 3.46Å; G184-F187 PolarHBondContact O-N 3.5Å; F187-L189 VanDerWaalsContact C-N 3.32Å; F187-L189 PolarHBondContact O-N 3.43Å; F187-I190 PolarHBondContact O-N 3.41Å; F187-V191 WeakPolarHBondContact O-CG2 3.41Å; F187-V191 PolarHBondContact O-N 3.17Å
188	G	92.1	Very high	89.5	Confident	32 Å²	32	89.4 Å²	89.4	33%	0.33	50%	0.499	S	S	.	.	H	α-helix	trans	-58.4	-43.3	173.2	0	0	0	0	0	112.4	G184 G185 V191 I192	G184-G188 PolarHBondContact O-N 3.02Å; G185-G188 PolarHBondContact O-N 3.33Å; G188-V191 PolarHBondContact O-N 3.38Å; G188-I192 VanDerWaalsContact O-CG1 3.27Å; G188-I192 WeakPolarHBondContact O-CG1 3.14Å; G188-I192 PolarHBondContact O-N 3.35Å
189	L	94.5	Very high	90.2	Very high	101 Å²	101	88.6 Å²	88.6	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-46.3	176.3	-167.2	89.3	0	0	0	111.9	G185 L186 F187 V191 I192 I193	G185-L189 PolarHBondContact O-N 3.47Å; L186-L189 WeakPolarHBondContact O-CB 3.46Å; L186-L189 PolarHBondContact O-N 3.38Å; F187-L189 VanDerWaalsContact C-N 3.32Å; F187-L189 PolarHBondContact O-N 3.43Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 2.81Å; L189-I192 PolarHBondContact O-N 2.81Å; L189-I193 HydrophobicContact CD2-CD1 4.31Å; L189-I193 HydrophobicContact CG-CD1 4.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 3.07Å
190	I	94.5	Very high	90.7	Very high	94 Å²	94	89.2 Å²	89.2	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-60.9	-43.4	179.3	-67.5	166.5	0	0	0	110.9	L186 F187 I193 A194	L186-I190 HydrophobicContact CG-CD1 4.43Å; L186-I190 WeakPolarHBondContact O-CG1 3.45Å; L186-I190 PolarHBondContact O-N 2.9Å; F187-I190 PolarHBondContact O-N 3.41Å; I190-I193 PolarHBondContact O-N 2.84Å; I190-A194 WeakPolarHBondContact O-CB 3.36Å; I190-A194 PolarHBondContact O-N 3.19Å
191	V	94.2	Very high	90.7	Very high	85 Å²	85	88.2 Å²	88.2	52%	0.515	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-40.4	177.3	172.8	0	0	0	0	111.3	F187 G188 L189 A194 L195	F187-V191 WeakPolarHBondContact O-CG2 3.41Å; F187-V191 PolarHBondContact O-N 3.17Å; G188-V191 PolarHBondContact O-N 3.38Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 2.81Å; V191-A194 PolarHBondContact O-N 3.26Å; V191-L195 HydrophobicContact CG1-CD1 4.1Å; V191-L195 HydrophobicContact CG1-CG 4.45Å; V191-L195 WeakPolarHBondContact O-CG 3.28Å; V191-L195 PolarHBondContact O-N 2.92Å
192	I	95.3	Very high	90.7	Very high	99 Å²	99	86.3 Å²	86.3	51%	0.508	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-45.5	175.3	-69.8	165.2	0	0	0	110.7	G188 L189 A194 L195 L196	G188-I192 VanDerWaalsContact O-CG1 3.27Å; G188-I192 WeakPolarHBondContact O-CG1 3.14Å; G188-I192 PolarHBondContact O-N 3.35Å; L189-I192 PolarHBondContact O-N 2.81Å; I192-A194 VanDerWaalsContact C-N 3.35Å; I192-A194 PolarHBondContact O-N 3Å; I192-L195 PolarHBondContact O-N 3.47Å; I192-L196 HydrophobicContact CG2-CD1 4.07Å; I192-L196 HydrophobicContact CG2-CG 4.38Å; I192-L196 VanDerWaalsContact O-CG 3.31Å; I192-L196 WeakPolarHBondContact O-CG 3.44Å; I192-L196 PolarHBondContact O-N 3.26Å
193	I	95.1	Very high	90.3	Very high	88 Å²	88	92.6 Å²	92.6	45%	0.451	50%	0.499	S	S	.	.	H	α-helix	trans	-61	-45	177.4	-66	170.9	0	0	0	110.5	L189 I190 L195 L196 L197	L189-I193 HydrophobicContact CD2-CD1 4.31Å; L189-I193 HydrophobicContact CG-CD1 4.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 3.07Å; I190-I193 PolarHBondContact O-N 2.84Å; I193-L195 PolarHBondContact O-N 3.42Å; I193-L196 PolarHBondContact O-N 2.85Å; I193-L197 HydrophobicContact CG2-CD1 4.18Å; I193-L197 HydrophobicContact CG2-CG 4.48Å; I193-L197 WeakPolarHBondContact O-CG 3.45Å; I193-L197 PolarHBondContact O-N 3.01Å
194	A	94.2	Very high	89.3	Confident	50 Å²	50	94.7 Å²	94.7	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-60.9	-42.6	177.2	0	0	0	0	0	112.2	I190 V191 I192 L197 V198	I190-A194 WeakPolarHBondContact O-CB 3.36Å; I190-A194 PolarHBondContact O-N 3.19Å; V191-A194 PolarHBondContact O-N 3.26Å; I192-A194 VanDerWaalsContact C-N 3.35Å; I192-A194 PolarHBondContact O-N 3Å; A194-L197 PolarHBondContact O-N 3.33Å; A194-V198 WeakPolarHBondContact O-CG2 3.42Å; A194-V198 PolarHBondContact O-N 3.35Å
195	L	95.2	Very high	87.6	Confident	107 Å²	107	103 Å²	103	56%	0.56	53%	0.528	S	S	*	.	H	α-helix	trans	-65.2	-40.2	175.6	-72.1	172.9	0	0	0	112.1	V191 I192 I193 L197 V198 V199	V191-L195 HydrophobicContact CG1-CD1 4.1Å; V191-L195 HydrophobicContact CG1-CG 4.45Å; V191-L195 WeakPolarHBondContact O-CG 3.28Å; V191-L195 PolarHBondContact O-N 2.92Å; I192-L195 PolarHBondContact O-N 3.47Å; I193-L195 PolarHBondContact O-N 3.42Å; L195-L197 VanDerWaalsContact C-N 3.32Å; L195-L197 PolarHBondContact O-N 2.87Å; L195-V198 PolarHBondContact O-N 3.02Å; L195-V199 WeakPolarHBondContact O-CG2 3.44Å; L195-V199 PolarHBondContact O-N 2.87Å
196	L	94.8	Very high	85.3	Confident	112 Å²	112	109.4 Å²	109.4	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-62.4	-40	174.3	-71.6	174.3	0	0	0	111.6	I192 I193 V199 Y200	I192-L196 HydrophobicContact CG2-CD1 4.07Å; I192-L196 HydrophobicContact CG2-CG 4.38Å; I192-L196 VanDerWaalsContact O-CG 3.31Å; I192-L196 WeakPolarHBondContact O-CG 3.44Å; I192-L196 PolarHBondContact O-N 3.26Å; I193-L196 PolarHBondContact O-N 2.85Å; L196-V199 PolarHBondContact O-N 2.89Å; L196-Y200 WeakPolarHBondContact O-CB 3.46Å; L196-Y200 PolarHBondContact O-N 3.49Å
197	L	92.8	Very high	83	Confident	86 Å²	86	110.6 Å²	110.6	45%	0.45	56%	0.557	S	S	.	*	H	α-helix	trans	-64.5	-44	174	-70.8	172.6	0	0	0	111.4	I193 A194 L195 V199 Y200 F201	I193-L197 HydrophobicContact CG2-CD1 4.18Å; I193-L197 HydrophobicContact CG2-CG 4.48Å; I193-L197 WeakPolarHBondContact O-CG 3.45Å; I193-L197 PolarHBondContact O-N 3.01Å; A194-L197 PolarHBondContact O-N 3.33Å; L195-L197 VanDerWaalsContact C-N 3.32Å; L195-L197 PolarHBondContact O-N 2.87Å; L197-V199 PolarHBondContact O-N 3.38Å; L197-Y200 WeakPolarHBondContact O-CB 3.28Å; L197-Y200 PolarHBondContact O-N 3.37Å; L197-F201 HydrophobicContact CB-CD2 4.31Å; L197-F201 HydrophobicContact CB-CE2 4.2Å; L197-F201 HydrophobicContact CD2-CE2 4.37Å; L197-F201 WeakPolarHBondContact O-CB 3.47Å; L197-F201 WeakPolarHBondContact O-CD2 3.2Å; L197-F201 WeakPolarHBondContact O-CG 3.42Å; L197-F201 PolarHBondContact O-N 3.12Å
198	V	90.9	Very high	80.5	Confident	85 Å²	85	111 Å²	111	52%	0.515	57%	0.57	S	S	.	*	H	α-helix	trans	-61.7	-43.4	175.2	172.7	0	0	0	0	111.3	A194 L195 Y200 F201 T202	A194-V198 WeakPolarHBondContact O-CG2 3.42Å; A194-V198 PolarHBondContact O-N 3.35Å; L195-V198 PolarHBondContact O-N 3.02Å; V198-Y200 VanDerWaalsContact C-N 3.34Å; V198-F201 PolarHBondContact O-N 3.42Å; V198-T202 HydrophobicContact CG1-CG2 4.27Å; V198-T202 WeakPolarHBondContact O-CB 3.32Å; V198-T202 VanDerWaalsContact O-CG2 3.23Å; V198-T202 WeakPolarHBondContact O-CG2 3.38Å; V198-T202 PolarHBondContact O-N 2.93Å; V198-T202 PolarHBondContact O-OG1 3.27Å
199	V	89.4	Confident	77.8	Confident	68 Å²	68	115.7 Å²	115.7	41%	0.412	60%	0.596	S	S	.	*	H	α-helix	trans	-63.3	-41.4	174.7	173.3	0	0	0	0	111.1	L195 L196 L197 T202 R203	L195-V199 WeakPolarHBondContact O-CG2 3.44Å; L195-V199 PolarHBondContact O-N 2.87Å; L196-V199 PolarHBondContact O-N 2.89Å; L197-V199 PolarHBondContact O-N 3.38Å; V199-T202 VanDerWaalsContact CA-OG1 3.25Å; V199-T202 WeakPolarHBondContact CA-OG1 3.25Å; V199-T202 PolarHBondContact O-N 2.91Å; V199-T202 PolarHBondContact O-OG1 2.89Å; V199-R203 HydrophobicContact CG1-CG 4.45Å; V199-R203 WeakPolarHBondContact O-CB 3.44Å; V199-R203 VanDerWaalsContact O-CG 3.31Å; V199-R203 WeakPolarHBondContact O-CG 3.3Å; V199-R203 PolarHBondContact O-N 3.23Å
200	Y	87.3	Confident	74.7	Confident	141 Å²	141	114 Å²	114	55%	0.553	60%	0.604	S	S	*	*	H	α-helix	trans	-60.7	-50.3	175.4	176.7	-104.2	0	0	0	111.5	L196 L197 V198 T202 R203 L204	L196-Y200 WeakPolarHBondContact O-CB 3.46Å; L196-Y200 PolarHBondContact O-N 3.49Å; L197-Y200 WeakPolarHBondContact O-CB 3.28Å; L197-Y200 PolarHBondContact O-N 3.37Å; V198-Y200 VanDerWaalsContact C-N 3.34Å; Y200-T202 PolarHBondContact O-N 2.68Å; Y200-R203 PolarHBondContact O-N 3.36Å; Y200-L204 HydrophobicContact CD1-CD1 3.59Å; Y200-L204 HydrophobicContact CD2-CD1 4.44Å; Y200-L204 HydrophobicContact CE1-CD1 3.24Å; Y200-L204 HydrophobicContact CE2-CD1 4.16Å; Y200-L204 HydrophobicContact CG-CD1 4.18Å; Y200-L204 WeakPolarHBondContact O-CD1 3.45Å; Y200-L204 PolarHBondContact O-N 3.5Å
201	F	82.3	Confident	71.7	Confident	128 Å²	128	115.9 Å²	115.9	56%	0.561	62%	0.623	S	S	*	*	H	α-helix	trans	-67.9	-33	178.8	-73.3	-60.9	0	0	0	113.3	L197 V198 L204 R205	L197-F201 HydrophobicContact CB-CD2 4.31Å; L197-F201 HydrophobicContact CB-CE2 4.2Å; L197-F201 HydrophobicContact CD2-CE2 4.37Å; L197-F201 WeakPolarHBondContact O-CB 3.47Å; L197-F201 WeakPolarHBondContact O-CD2 3.2Å; L197-F201 WeakPolarHBondContact O-CG 3.42Å; L197-F201 PolarHBondContact O-N 3.12Å; V198-F201 PolarHBondContact O-N 3.42Å; F201-L204 HydrophobicContact CD1-CD1 4.06Å; F201-L204 WeakPolarHBondContact O-CB 3.33Å; F201-L204 PolarHBondContact O-N 2.75Å; F201-R205 PolarHBondContact O-N 3.45Å
202	T	80.8	Confident	68.7	Low	81 Å²	81	120.3 Å²	120.3	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-73.3	-32.5	173.9	50.8	0	0	0	0	112.3	V198 V199 Y200 R205	V198-T202 HydrophobicContact CG1-CG2 4.27Å; V198-T202 WeakPolarHBondContact O-CB 3.32Å; V198-T202 VanDerWaalsContact O-CG2 3.23Å; V198-T202 WeakPolarHBondContact O-CG2 3.38Å; V198-T202 PolarHBondContact O-N 2.93Å; V198-T202 PolarHBondContact O-OG1 3.27Å; V199-T202 VanDerWaalsContact CA-OG1 3.25Å; V199-T202 WeakPolarHBondContact CA-OG1 3.25Å; V199-T202 PolarHBondContact O-N 2.91Å; V199-T202 PolarHBondContact O-OG1 2.89Å; Y200-T202 PolarHBondContact O-N 2.68Å; T202-R205 WeakPolarHBondContact O-CB 3.22Å; T202-R205 PolarHBondContact O-N 3.46Å
203	R	75.6	Confident	65.5	Low	206 Å²	206	123.7 Å²	123.7	78%	0.777	65%	0.654	S	S	*	*	H	α-helix	trans	-73.5	-26	171.3	-74.2	-172.4	-180	-156.5	1.9	113.4	V199 Y200 R205	V199-R203 HydrophobicContact CG1-CG 4.45Å; V199-R203 WeakPolarHBondContact O-CB 3.44Å; V199-R203 VanDerWaalsContact O-CG 3.31Å; V199-R203 WeakPolarHBondContact O-CG 3.3Å; V199-R203 PolarHBondContact O-N 3.23Å; Y200-R203 PolarHBondContact O-N 3.36Å; R203-R205 PolarHBondContact O-N 3.09Å
204	L	67.9	Low	62.5	Low	102 Å²	102	127.9 Å²	127.9	53%	0.534	67%	0.672	S	S	.	*	H	α-helix	trans	-68.1	-21.7	169.9	-87.2	151.6	0	0	0	112.6	Y200 F201 K206	Y200-L204 HydrophobicContact CD1-CD1 3.59Å; Y200-L204 HydrophobicContact CD2-CD1 4.44Å; Y200-L204 HydrophobicContact CE1-CD1 3.24Å; Y200-L204 HydrophobicContact CE2-CD1 4.16Å; Y200-L204 HydrophobicContact CG-CD1 4.18Å; Y200-L204 WeakPolarHBondContact O-CD1 3.45Å; Y200-L204 PolarHBondContact O-N 3.5Å; F201-L204 HydrophobicContact CD1-CD1 4.06Å; F201-L204 WeakPolarHBondContact O-CB 3.33Å; F201-L204 PolarHBondContact O-N 2.75Å; L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 PolarHBondContact O-N 3.38Å
205	R	50.7	Low	59.3	Low	217 Å²	217	130.6 Å²	130.6	82%	0.819	69%	0.688	S	S	*	*			trans	-76.5	80.5	169.4	-93.3	-178.3	166.5	166.8	-2.8	110.6	F201 T202 R203	F201-R205 PolarHBondContact O-N 3.45Å; T202-R205 WeakPolarHBondContact O-CB 3.22Å; T202-R205 PolarHBondContact O-N 3.46Å; R203-R205 PolarHBondContact O-N 3.09Å
206	K	39.7	Very low	56.1	Low	182 Å²	182	132.2 Å²	132.2	79%	0.791	70%	0.696	S	S	*	*			trans	-71.6	138.4	152.1	-80.6	-174.3	177.9	179.3	0	108.9	L204 T208	L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 PolarHBondContact O-N 3.38Å; K206-T208 PolarHBondContact O-N 3.02Å
207	P	43.1	Very low	52.8	Low	129 Å²	129	137.2 Å²	137.2	84%	0.838	71%	0.708	S	S	*	*			trans	-82.4	107.1	-171.5	32	-31.1	0	0	0	109.6
208	T	40.4	Very low	49.5	Very low	138 Å²	138	144.7 Å²	144.7	85%	0.847	73%	0.73	S	S	*	*			trans	-95.1	113.5	162.1	39.9	0	0	0	0	109.4	K206	K206-T208 PolarHBondContact O-N 3.02Å
209	C	34.6	Very low	46.4	Very low	131 Å²	131	145.2 Å²	145.2	89%	0.885	74%	0.744	S	S	*	*			trans	-23.6	137.4	163.5	-152.9	0	0	0	0	114.5
210	G	29.7	Very low	43.4	Very low	66 Å²	66	147.4 Å²	147.4	68%	0.68	76%	0.759	S	S	*	*			trans	-73.5	163.3	179.2	0	0	0	0	0	114.1
211	C	32.5	Very low	40.5	Very low	132 Å²	132	145.7 Å²	145.7	89%	0.892	77%	0.774	S	S	*	*				-154	141.1	127.8	-111.4	0	0	0	0	107.2
212	E	29.6	Very low	38	Very low	178 Å²	178	146.5 Å²	146.5	83%	0.832	79%	0.789	S	S	*	*			trans	-61.9	130.7	-163.9	-64.7	158.1	131.2	0	0	113.1
213	M	29.2	Very low	35.5	Very low	171 Å²	171	150.5 Å²	150.5	84%	0.842	80%	0.802	S	S	*	*			trans	-111.8	86.4	163.1	-164	130.6	87.9	0	0	107.9
214	Q	31.8	Very low	33.1	Very low	175 Å²	175	148.6 Å²	148.6	82%	0.818	80%	0.802	S	S	*	*			trans	-91.1	136.9	165.7	-84.8	-175.1	-10.5	0	0	110.2
215	S	27.8	Very low	31.3	Very low	108 Å²	108	150.4 Å²	150.4	76%	0.755	82%	0.817	S	S	*	*			trans	78.7	78.2	158.7	-154.4	0	0	0	0	117.9
216	I	27	Very low	30.3	Very low	141 Å²	141	148.1 Å²	148.1	72%	0.723	82%	0.82	S	S	*	*			trans	-103.2	89.7	151.6	-60	173.6	0	0	0	107
217	Y	24.7	Very low	29.8	Very low	216 Å²	216	144.1 Å²	144.1	85%	0.847	81%	0.813	S	S	*	*			trans	-149.5	91.8	158	-83.5	-75	0	0	0	108.7
218	R	25.6	Very low	29.1	Very low	243 Å²	243	143.7 Å²	143.7	92%	0.917	81%	0.81	S	S	*	*			trans	176.4	124.5	130	-101.1	174.2	-161.9	170.2	6.4	111.1
219	A	24.8	Very low	28.5	Very low	96 Å²	96	149.1 Å²	149.1	79%	0.793	82%	0.815	S	S	*	*			trans	-62.6	156.3	162.9	0	0	0	0	0	111.8
220	P	26.5	Very low	28.3	Very low	115 Å²	115	150.2 Å²	150.2	75%	0.747	81%	0.813	S	S	*	*			trans	-122.2	143.3	135.2	33.2	-22.4	0	0	0	111.2
221	A	25.5	Very low	28.2	Very low	104 Å²	104	152 Å²	152	86%	0.86	81%	0.814	S	S	*	*			trans	-62.8	135	170.5	0	0	0	0	0	110.8
222	V	31.4	Very low	28	Very low	145 Å²	145	154 Å²	154	88%	0.879	81%	0.811	S	S	*	*			trans	-131.3	129.9	160.3	180	0	0	0	0	108.2
223	Q	26.5	Very low	28.1	Very low	166 Å²	166	150.5 Å²	150.5	78%	0.776	81%	0.812	S	S	*	*			trans	-84.7	153.2	-170.1	-167.7	162.1	-18.3	0	0	111.5
224	E	26.1	Very low	27.9	Very low	165 Å²	165	151.3 Å²	151.3	77%	0.771	81%	0.813	S	S	*	*			trans	-10.7	128.9	165.4	-63.2	168.4	139.2	0	0	118.4
225	V	29.4	Very low	27.9	Very low	141 Å²	141	150.8 Å²	150.8	86%	0.855	82%	0.815	S	S	*	*				-154.7	112.5	127.3	-176.9	0	0	0	0	108
226	L	30	Very low	27.9	Very low	168 Å²	168	151.1 Å²	151.1	88%	0.88	81%	0.814	S	S	*	*			trans	-114.6	135.3	161.6	-82.5	169.9	0	0	0	108.8
227	P	29.7	Very low	27.9	Very low	98 Å²	98	152.2 Å²	152.2	64%	0.636	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-81.8	155.5	-171.6	34.2	-36	0	0	0	112.8
228	P	28.8	Very low	27.8	Very low	120 Å²	120	151.5 Å²	151.5	78%	0.779	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.7	134.2	-175.2	29.7	-34.8	0	0	0	112.4
229	W	28.6	Very low	27.8	Very low	253 Å²	253	147 Å²	147	96%	0.958	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80.9	116.1	170.9	-95.3	59.9	0	0	0	110.6
230	N	28.7	Very low	27.8	Very low	154 Å²	154	148 Å²	148	82%	0.824	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.1	123.2	171.2	-85.9	-25.3	0	0	0	110.7	H232	N230-H232 PolarHBondContact O-N 3.35Å; N230-H232 VanDerWaalsContact O-N 3.17Å
231	S	29.2	Very low	27.8	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	82%	0.819	S	S	*	*			trans	-83.4	62.4	179.3	48.5	0	0	0	0	112.9
232	H	28.1	Very low	27.9	Very low	175 Å²	175	151.5 Å²	151.5	81%	0.81	82%	0.82	S	S	*	*			trans	-151.1	84.6	167.4	-75.4	-69.7	0	0	0	111.7	N230	N230-H232 PolarHBondContact O-N 3.35Å; N230-H232 VanDerWaalsContact O-N 3.17Å
233	A	31.9	Very low	27.7	Very low	104 Å²	104	153.9 Å²	153.9	86%	0.86	82%	0.822	S	S	*	*			trans	-135.3	89.5	159.3	0	0	0	0	0	108.5
234	Q	24.6	Very low	27.5	Very low	187 Å²	187	155.5 Å²	155.5	87%	0.874	83%	0.826	S	S	*	*			trans	-76.6	123.6	166.2	-64.9	-179.1	-58.9	0	0	108.7
235	I	30.2	Very low	27.5	Very low	165 Å²	165	157.1 Å²	157.1	85%	0.846	83%	0.834	S	S	*	*			trans	-141.5	136.2	156.3	-62	-174.7	0	0	0	107.8
236	P	29.2	Very low	27.2	Very low	115 Å²	115	157.6 Å²	157.6	75%	0.747	83%	0.831	S	S	*	*			trans	-98.9	141.4	-146.1	27.7	-15.7	0	0	0	114.2
237	L	25.6	Very low	27.7	Very low	163 Å²	163	153.5 Å²	153.5	85%	0.853	82%	0.815	S	S	*	*			trans	-77.8	118.7	171.2	-138.9	97.5	0	0	0	109.6	L239	L237-L239 PolarHBondContact O-N 3.4Å
238	F	24	Very low	27.6	Very low	201 Å²	201	156 Å²	156	88%	0.882	83%	0.828	S	S	*	*			trans	-66.7	115.3	170.6	-116.7	-104.6	0	0	0	109.3
239	L	24.8	Very low	27.3	Very low	149 Å²	149	159.1 Å²	159.1	78%	0.78	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-90.6	128	165.2	-73.6	171	0	0	0	108.7	L237	L237-L239 PolarHBondContact O-N 3.4Å
240	P	26.2	Very low	27.5	Very low	117 Å²	117	152.1 Å²	152.1	76%	0.76	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.2	139.8	168.3	-8.5	24.8	0	0	0	109.9	E242	P240-E242 PolarHBondContact O-N 3.03Å
241	A	26	Very low	27.3	Very low	102 Å²	102	151 Å²	151	84%	0.843	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65.9	120.8	176.5	0	0	0	0	0	110.9
242	E	27.7	Very low	27	Very low	191 Å²	191	148.8 Å²	148.8	89%	0.893	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78	126.4	161.5	-82.7	-176.9	153.5	0	0	109.3	P240	P240-E242 PolarHBondContact O-N 3.03Å
243	E	25.8	Very low	27	Very low	195 Å²	195	150 Å²	150	91%	0.911	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66.7	129.3	173	-79.1	178.2	145.3	0	0	110.7	E245	E243-E245 PolarHBondContact O-N 3.37Å
244	K	23.3	Very low	26.7	Very low	199 Å²	199	149.1 Å²	149.1	87%	0.865	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62	121.1	166.7	-76.4	171.9	169.1	176.2	0	109.9
245	E	25.4	Very low	26.7	Very low	199 Å²	199	144.6 Å²	144.6	93%	0.93	81%	0.807	S	S	*	*			trans	-128.3	127	140.5	-74.2	-157.6	160.1	0	0	110.1	E243	E243-E245 PolarHBondContact O-N 3.37Å
246	D	23.5	Very low	26.4	Very low	151 Å²	151	141.8 Å²	141.8	81%	0.807	80%	0.802	S	S	*	*			trans	-148.5	160.9	-179.3	-150.2	25.1	0	0	0	103.1
247	P	41.5	Very low	26.2	Very low	83 Å²	83	143.4 Å²	143.4	54%	0.539	80%	0.804	S	S	.	*			cis	-131.1	169.3	-26.5	28	-8.8	0	0	0	111.7
248	T	25.6	Very low	26.3	Very low	149 Å²	149	143.8 Å²	143.8	91%	0.914	81%	0.806	S	S	*	*			trans	-154.5	127.5	146	-9.8	0	0	0	0	114
249	F	23.1	Very low	26.3	Very low	186 Å²	186	142.8 Å²	142.8	82%	0.816	80%	0.804	S	S	*	*			trans	-64.8	-170.8	175.4	-85.9	-95.3	0	0	0	114.9
250	P	33.8	Very low	26.3	Very low	106 Å²	106	139 Å²	139	69%	0.688	79%	0.794	S	S	*	*			cis	-141	-171.7	-2.5	19.8	8.3	0	0	0	116.7
251	C	24.5	Very low	26.4	Very low	130 Å²	130	142.8 Å²	142.8	88%	0.878	80%	0.801	S	S	*	*			trans	92.3	128.3	155.8	-66.6	0	0	0	0	116.4
252	G	22.8	Very low	26.5	Very low	58 Å²	58	141.3 Å²	141.3	60%	0.598	80%	0.796	S	S	*	*			cis	142	140.7	8.7	0	0	0	0	0	109.1
253	H	27.1	Very low	26.2	Very low	199 Å²	199	138 Å²	138	92%	0.921	79%	0.794	S	S	*	*			trans	79.4	139.5	171.4	-52	90.8	0	0	0	116.4
254	A	26.3	Very low	26.4	Very low	87 Å²	87	135 Å²	135	72%	0.719	79%	0.791	S	S	*	*			cis	-165	154	-5	0	0	0	0	0	109.5
255	A	25.3	Very low	26.5	Very low	92 Å²	92	129.8 Å²	129.8	76%	0.76	79%	0.786	S	S	*	*			trans	44.3	113.6	140.3	0	0	0	0	0	119.5
256	S	22.5	Very low	26.7	Very low	106 Å²	106	127.1 Å²	127.1	74%	0.741	78%	0.782	S	S	*	*				78	117.9	76.3	-172.4	0	0	0	0	113.6
257	L	25.2	Very low	26.7	Very low	149 Å²	149	124.8 Å²	124.8	78%	0.78	78%	0.778	S	S	*	*			trans	140.5	105.5	140.4	-89.6	147.8	0	0	0	111.6
258	L	28.9	Very low	26.2	Very low	171 Å²	171	126.2 Å²	126.2	90%	0.895	79%	0.79	S	S	*	*				-177.6	134	103.9	-95.7	153.7	0	0	0	111.4
259	Q	22.3	Very low	26.1	Very low	179 Å²	179	124.5 Å²	124.5	84%	0.836	78%	0.784	S	S	*	*			trans	-96.1	151.1	-176	-95.6	179.1	-22	0	0	110.6
260	A	25.4	Very low	26.3	Very low	71 Å²	71	121.6 Å²	121.6	59%	0.587	78%	0.784	S	S	*	*				89.5	146.8	129.6	0	0	0	0	0	122.6
261	H	29.4	Very low	26	Very low	196 Å²	196	120.9 Å²	120.9	91%	0.907	79%	0.787	S	S	*	*			trans	79.9	126.7	163.7	-51.7	-69.1	0	0	0	115.5
262	G	27.6	Very low	26	Very low	71 Å²	71	122.3 Å²	122.3	73%	0.732	79%	0.786	S	S	*	*			cis	174.4	154.2	8.1	0	0	0	0	0	108.3
263	S	21.7	Very low	26.2	Very low	120 Å²	120	131.5 Å²	131.5	84%	0.839	80%	0.802	S	S	*	*			trans	-61.2	164.9	-176.2	-43.2	0	0	0	0	114.5
264	P	29.9	Very low	26.2	Very low	132 Å²	132	127.1 Å²	127.1	86%	0.857	79%	0.794	S	S	*	*				-138.9	156.8	86.7	32.9	-15.9	0	0	0	115
265	A	24.3	Very low	26.4	Very low	91 Å²	91	132 Å²	132	75%	0.752	80%	0.802	S	S	*	*			trans	-88.6	146.2	179.9	0	0	0	0	0	112.2
266	V	29.3	Very low	26.3	Very low	142 Å²	142	133.4 Å²	133.4	86%	0.861	80%	0.804	S	S	*	*			trans	-145.5	131.2	140.1	178	0	0	0	0	108.8
267	S	24.9	Very low	26.6	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	81%	0.807	S	S	*	*			trans	-48.5	152.8	171.3	53.7	0	0	0	0	114
268	S	30.4	Very low	26.8	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	81%	0.809	S	S	*	*				-171	139.7	54.7	45.2	0	0	0	0	111.2
269	S	22.7	Very low	26.7	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	81%	0.809	S	S	*	*			trans	-68.4	160.5	166.8	-50.3	0	0	0	0	112.2
270	P	27.3	Very low	27.1	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	81%	0.809	S	S	*	*				-138.3	146.8	80	32.3	-14.6	0	0	0	116.1
271	A	28.1	Very low	27.5	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	81%	0.813	S	S	*	*			trans	68.5	104.3	138.5	0	0	0	0	0	121
272	N	24.9	Very low	27.5	Very low	160 Å²	160	136.4 Å²	136.4	86%	0.856	81%	0.814	S	S	*	*				39.8	101.6	126.7	-86.6	-7.6	0	0	0	118.2
273	R	26.4	Very low	27.7	Very low	252 Å²	252	141.1 Å²	141.1	95%	0.951	81%	0.811	S	S	*	*			trans	-177.9	87.9	137.1	-102.1	170.5	-154.6	-151.8	6.4	110.3
274	S	28.6	Very low	28.1	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	81%	0.809	S	S	*	*			trans	-161.2	63.9	161.8	52.4	0	0	0	0	111.4
275	H	28.9	Very low	28.2	Very low	190 Å²	190	144.1 Å²	144.1	88%	0.88	81%	0.808	S	S	*	*			trans	-103.8	68.4	158.6	-99.8	-37.2	0	0	0	109.1
276	C	24.4	Very low	28.9	Very low	121 Å²	121	144.8 Å²	144.8	82%	0.818	80%	0.803	S	S	*	*			trans	-161.6	59.7	160	-149.3	0	0	0	0	112.2
277	T	27.7	Very low	29.2	Very low	131 Å²	131	142.3 Å²	142.3	80%	0.804	79%	0.791	S	S	*	*			trans	-146.9	66.5	162.8	36	0	0	0	0	108.4
278	K	29.9	Very low	30	Very low	186 Å²	186	144.8 Å²	144.8	81%	0.809	79%	0.794	S	S	*	*			trans	-137.5	50.3	171.8	-76.9	-166.5	177.7	-178	0	111.6
279	Q	27.7	Very low	30.6	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	79%	0.792	S	S	*	*			trans	-153.9	65.1	157.1	-77.8	-155.3	-23.3	0	0	110.5
280	I	29.9	Very low	32	Very low	166 Å²	166	151.5 Å²	151.5	85%	0.851	80%	0.797	S	S	*	*	S	Bend	trans	-128.1	108.3	152.9	-59.1	179	0	0	0	104.6	Q282	I280-Q282 PolarHBondContact O-N 3.29Å
281	G	34.2	Very low	33.7	Very low	65 Å²	65	148.2 Å²	148.2	67%	0.67	78%	0.781	S	S	*	*			trans	-55.1	135	-177.6	0	0	0	0	0	111	Y283	G281-Y283 PolarHBondContact O-N 3.42Å
282	Q	28.7	Very low	36.2	Very low	195 Å²	195	152.7 Å²	152.7	91%	0.911	79%	0.786	S	S	*	*			trans	-55.5	101.3	173.9	-73.2	173.7	-17.6	0	0	110.1	I280 K284	I280-Q282 PolarHBondContact O-N 3.29Å; Q282-K284 PolarHBondContact O-N 3.19Å
283	Y	31.2	Very low	39.4	Very low	171 Å²	171	147.3 Å²	147.3	67%	0.671	76%	0.757	S	S	*	*			trans	-68.3	113.1	164.4	-119.4	-97.2	0	0	0	107.5	G281 R444	G281-Y283 PolarHBondContact O-N 3.42Å; Y283-R444 PolarHBondContact OH-NH1 3.17Å
284	K	30.2	Very low	42.6	Very low	187 Å²	187	138.9 Å²	138.9	81%	0.813	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-64.9	129.5	171.8	-76	-177	178	177.8	0	108.5	Q282 V286	Q282-K284 PolarHBondContact O-N 3.19Å; K284-V286 PolarHBondContact O-N 3.5Å; K284-V286 VanDerWaalsContact O-N 3.1Å
285	P	32.4	Very low	45.8	Very low	127 Å²	127	139.4 Å²	139.4	83%	0.825	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-63.3	116.5	177.5	23.8	-30.6	0	0	0	109.1	S287	P285-S287 PolarHBondContact O-N 3.43Å
286	V	39.4	Very low	48.9	Very low	106 Å²	106	135.3 Å²	135.3	64%	0.642	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-65.2	122.1	172.4	179	0	0	0	0	106.9	K284 M288	K284-V286 PolarHBondContact O-N 3.5Å; K284-V286 VanDerWaalsContact O-N 3.1Å; V286-M288 PolarHBondContact O-N 2.82Å; V286-M288 VanDerWaalsContact O-N 3.13Å
287	S	34.5	Very low	52	Low	89 Å²	89	139.4 Å²	139.4	62%	0.622	69%	0.69	S	S	*	*			trans	-43.4	119.5	169.2	154.3	0	0	0	0	109.6	P285 Q289	P285-S287 PolarHBondContact O-N 3.43Å; S287-Q289 PolarHBondContact O-N 2.69Å
288	M	42.4	Very low	54.8	Low	156 Å²	156	137.3 Å²	137.3	77%	0.768	68%	0.68	S	S	*	*			trans	-67.1	58.1	178.7	-76.3	-170.3	-177.3	0	0	112.1	V286 K290	V286-M288 PolarHBondContact O-N 2.82Å; V286-M288 VanDerWaalsContact O-N 3.13Å; M288-K290 PolarHBondContact O-N 3.21Å
289	Q	44.2	Very low	57.4	Low	161 Å²	161	133.4 Å²	133.4	75%	0.752	66%	0.66	S	S	*	*			trans	-62.4	132.6	153.2	-72.4	179.1	-7.8	0	0	106	S287 A291	S287-Q289 PolarHBondContact O-N 2.69Å; Q289-A291 PolarHBondContact O-N 3.46Å
290	K	51.3	Low	60.1	Low	204 Å²	204	133 Å²	133	89%	0.887	66%	0.659	S	S	*	*			trans	-43	110	174.1	-74.4	-176.5	175.8	-174.9	0	107.8	M288 Q292	M288-K290 PolarHBondContact O-N 3.21Å; K290-Q292 PolarHBondContact O-N 3.46Å
291	A	62.1	Low	62.9	Low	58 Å²	58	126.8 Å²	126.8	48%	0.479	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-57.3	119.2	-178.2	0	0	0	0	0	107	Q289 I293	Q289-A291 PolarHBondContact O-N 3.46Å; A291-I293 PolarHBondContact O-N 3.01Å
292	Q	81.4	Confident	65.7	Low	183 Å²	183	128.5 Å²	128.5	86%	0.855	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-63.2	127	179.9	-77.2	-177.5	-16.7	0	0	108.6	K290 Q294	K290-Q292 PolarHBondContact O-N 3.46Å; Q292-Q294 PolarHBondContact O-N 3.35Å
293	I	92	Very high	68.7	Low	47 Å²	47	120.7 Å²	120.7	24%	0.241	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-64.2	118.1	173	-63	177.7	0	0	0	107.5	A291 Y295 A508 P569 E570	A291-I293 PolarHBondContact O-N 3.01Å; I293-Y295 HydrophobicContact CB-CE2 4.5Å; I293-Y295 HydrophobicContact CG2-CD2 4.34Å; I293-Y295 HydrophobicContact CG2-CE2 4.02Å; I293-A508 HydrophobicContact CD1-CB 3.99Å; I293-A508 HydrophobicContact CG1-CB 4.23Å; I293-A508 HydrophobicContact CG2-CB 4.1Å; I293-P569 HydrophobicContact CD1-CB 3.82Å; I293-E570 HydrophobicContact CD1-CB 4.17Å
294	Q	94.1	Very high	71.6	Confident	75 Å²	75	116.9 Å²	116.9	35%	0.35	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-91.2	117.2	173.3	173.1	171.7	0.4	0	0	108.8	Q292 H443 G446 S506 T507	Q292-Q294 PolarHBondContact O-N 3.35Å; Q294-H443 PolarHBondContact OE1-O 3.03Å; Q294-G446 PolarHBondContact NE2-O 3.44Å; Q294-S506 CarbonylContact O-C 3.5Å; Q294-S506 VanDerWaalsContact O-CA 3.22Å; Q294-S506 WeakPolarHBondContact O-CA 3.47Å; Q294-S506 WeakPolarHBondContact O-CB 3.43Å; Q294-T507 HydrophobicContact CB-CG2 3.8Å; Q294-T507 PolarHBondContact N-OG1 3Å; Q294-T507 PolarHBondContact O-N 3.18Å
295	Y	95.4	Very high	74.6	Confident	118 Å²	118	110.7 Å²	110.7	46%	0.463	56%	0.557	S	S	.	*	B	Isolated β-bridge	trans	-77	147.4	173	-71.3	-91	0	0	0	110.9	I293 R297	I293-Y295 HydrophobicContact CB-CE2 4.5Å; I293-Y295 HydrophobicContact CG2-CD2 4.34Å; I293-Y295 HydrophobicContact CG2-CE2 4.02Å; Y295-R297 PolarHBondContact O-N 2.91Å
296	W	95	Very high	77.6	Confident	104 Å²	104	104.7 Å²	104.7	39%	0.394	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-58.5	138.3	176.1	174.8	82.2	0	0	0	110.3	V448 R450 F505	W296-V448 HydrophobicContact CB-CB 4.07Å; W296-V448 HydrophobicContact CB-CG1 4.34Å; W296-V448 HydrophobicContact CB-CG2 4.22Å; W296-R450 VanDerWaalsContact CE2-NH1 3.34Å; W296-R450 HydrophobicContact CG-CG 4.47Å; W296-R450 VanDerWaalsContact CZ2-NH1 3.26Å; W296-F505 HydrophobicContact CB-CB 3.74Å; W296-F505 WeakPolarHBondContact CB-O 3.49Å; W296-F505 HydrophobicContact CG-CB 4.37Å; W296-F505 PolarHBondContact N-O 3.41Å
297	R	89.3	Confident	80.2	Confident	207 Å²	207	101.5 Å²	101.5	78%	0.781	50%	0.496	S	S	*	.			trans	-128.5	143.9	167.9	-64.5	-177.9	-177.5	165.3	1.2	107.6	Y295 R299	Y295-R297 PolarHBondContact O-N 2.91Å; R297-R299 PolarHBondContact O-N 2.86Å
298	S	85.7	Confident	83	Confident	86 Å²	86	103.7 Å²	103.7	60%	0.601	50%	0.497	S	S	*	.			trans	-59.2	127	172	-171.5	0	0	0	0	109.1
299	R	85.5	Confident	85.5	Confident	104 Å²	104	102.9 Å²	102.9	39%	0.392	49%	0.489	S	S	.	.			trans	-102.4	116.3	173.9	-174	179.3	-176.8	-136.5	-4.6	107.5	R297 V301 A369 H371	R297-R299 PolarHBondContact O-N 2.86Å; R299-V301 HydrophobicContact CG-CG2 4.44Å; R299-V301 PolarHBondContact O-N 3.44Å; R299-A369 PolarHBondContact NH1-O 3.3Å; R299-H371 PolarHBondContact NH1-O 3.14Å; R299-H371 PolarHBondContact NH2-O 3.48Å
300	E	83.9	Confident	87.9	Confident	184 Å²	184	96 Å²	96	86%	0.86	46%	0.458	S	S	*	.			trans	-82.8	111.6	174.1	-65.6	-174	174.3	0	0	108.6
301	V	88.2	Confident	90	Very high	35 Å²	35	90.5 Å²	90.5	21%	0.212	44%	0.441	C	S	.	.			trans	-99.2	123.7	169.8	179.8	0	0	0	0	106.7	R299 I303 A306 L368 H371	R299-V301 HydrophobicContact CG-CG2 4.44Å; R299-V301 PolarHBondContact O-N 3.44Å; V301-I303 PolarHBondContact O-N 2.91Å; V301-A306 HydrophobicContact CG1-CB 4.21Å; V301-L368 HydrophobicContact CG1-CB 4.32Å; V301-H371 HydrophobicContact CG1-CB 4.33Å
302	D	92.3	Very high	91.4	Very high	102 Å²	102	89.3 Å²	89.3	55%	0.545	43%	0.428	S	S	.	.			trans	-68.4	100	168.2	-173.7	-23.4	0	0	0	108.1	V304 D305 A306	D302-V304 PolarHBondContact O-N 2.89Å; D302-V304 PolarHBondContact OD1-N 3.06Å; D302-D305 HydrophobicContact CB-CB 3.94Å; D302-D305 PolarHBondContact O-N 2.81Å; D302-D305 PolarHBondContact OD1-N 3.18Å; D302-A306 VanDerWaalsContact O-CB 3.24Å; D302-A306 WeakPolarHBondContact O-CB 2.85Å; D302-A306 PolarHBondContact O-N 3.35Å
303	I	92.6	Very high	91.9	Very high	31 Å²	31	85.8 Å²	85.8	16%	0.159	42%	0.415	C	S	.	.	H	α-helix	trans	-61.6	-36	-177.4	-61.6	174	0	0	0	110.3	V301 L307 L364 R365 L368	V301-I303 PolarHBondContact O-N 2.91Å; I303-L307 HydrophobicContact CG2-CD1 3.81Å; I303-L307 HydrophobicContact CG2-CG 4.24Å; I303-L307 VanDerWaalsContact O-CB 3.31Å; I303-L307 WeakPolarHBondContact O-CB 2.9Å; I303-L307 WeakPolarHBondContact O-CG 3.46Å; I303-L307 PolarHBondContact O-N 3.38Å; I303-L364 HydrophobicContact CD1-CB 4.37Å; I303-L364 HydrophobicContact CG2-CB 4.04Å; I303-L364 HydrophobicContact CG2-CD1 3.98Å; I303-R365 HydrophobicContact CD1-CG 3.63Å; I303-L368 HydrophobicContact CG2-CD1 4.07Å
304	V	91.9	Very high	91.7	Very high	91 Å²	91	87.3 Å²	87.3	55%	0.552	43%	0.429	S	S	*	.	H	α-helix	trans	-70.9	-49.1	-176.2	180	0	0	0	0	109.6	D302 A306 L307 Q308	D302-V304 PolarHBondContact O-N 2.89Å; D302-V304 PolarHBondContact OD1-N 3.06Å; V304-A306 PolarHBondContact O-N 2.81Å; V304-L307 PolarHBondContact O-N 3.49Å; V304-Q308 WeakPolarHBondContact O-CB 3.47Å; V304-Q308 VanDerWaalsContact O-CG 3.28Å; V304-Q308 WeakPolarHBondContact O-CG 3.22Å; V304-Q308 PolarHBondContact O-N 3.46Å
305	D	93.8	Very high	91.5	Very high	57 Å²	57	89.9 Å²	89.9	31%	0.305	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-43.2	175.5	173	73.2	0	0	0	111.9	D302 L307 Q308 K309	D302-D305 HydrophobicContact CB-CB 3.94Å; D302-D305 PolarHBondContact O-N 2.81Å; D302-D305 PolarHBondContact OD1-N 3.18Å; D305-L307 PolarHBondContact O-N 3.01Å; D305-Q308 PolarHBondContact O-N 3.38Å; D305-K309 VanDerWaalsContact CG-NZ 3.28Å; D305-K309 WeakPolarHBondContact O-CG 3.23Å; D305-K309 PolarHBondContact O-N 2.77Å; D305-K309 VanDerWaalsContact O-N 3.08Å; D305-K309 WeakPolarHBondContact OD1-CE 3.43Å; D305-K309 IonicContact OD1-NZ 2.68Å; D305-K309 PolarHBondContact OD1-NZ 3.3Å; D305-K309 VanDerWaalsContact OD1-NZ 3.12Å; D305-K309 WeakPolarHBondContact OD2-CE 3.33Å; D305-K309 IonicContact OD2-NZ 3.64Å; D305-K309 PolarHBondContact OD2-NZ 3.08Å
306	A	94.9	Very high	91.4	Very high	0 Å²	0	88.5 Å²	88.5	0%	0	44%	0.44	C	S	.	.	H	α-helix	trans	-60.8	-46.4	177.2	0	0	0	0	0	111.8	V301 D302 V304 K309 L310 L368	V301-A306 HydrophobicContact CG1-CB 4.21Å; D302-A306 VanDerWaalsContact O-CB 3.24Å; D302-A306 WeakPolarHBondContact O-CB 2.85Å; D302-A306 PolarHBondContact O-N 3.35Å; V304-A306 PolarHBondContact O-N 2.81Å; A306-K309 PolarHBondContact O-N 2.87Å; A306-L310 WeakPolarHBondContact O-CB 3.35Å; A306-L310 WeakPolarHBondContact O-CD1 3.32Å; A306-L310 VanDerWaalsContact O-CG 3.23Å; A306-L310 WeakPolarHBondContact O-CG 3.31Å; A306-L310 PolarHBondContact O-N 2.75Å; A306-L310 VanDerWaalsContact O-N 3.12Å; A306-L368 HydrophobicContact CB-CD1 4.11Å; A306-L368 HydrophobicContact CB-CD2 4.47Å
307	L	93.8	Very high	91.3	Very high	39 Å²	39	84.3 Å²	84.3	20%	0.204	43%	0.425	C	S	.	.	H	α-helix	trans	-66	-41	177.8	-73	175.7	0	0	0	111.7	I303 V304 D305 K309 L310 T311 L364 L368 A385 L395	I303-L307 HydrophobicContact CG2-CD1 3.81Å; I303-L307 HydrophobicContact CG2-CG 4.24Å; I303-L307 VanDerWaalsContact O-CB 3.31Å; I303-L307 WeakPolarHBondContact O-CB 2.9Å; I303-L307 WeakPolarHBondContact O-CG 3.46Å; I303-L307 PolarHBondContact O-N 3.38Å; V304-L307 PolarHBondContact O-N 3.49Å; D305-L307 PolarHBondContact O-N 3.01Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.96Å; L307-L310 CarbonylContact O-C 3.58Å; L307-L310 PolarHBondContact O-N 3.35Å; L307-L310 VanDerWaalsContact O-N 3.11Å; L307-T311 WeakPolarHBondContact O-CB 3.31Å; L307-T311 PolarHBondContact O-N 3.28Å; L307-T311 PolarHBondContact O-OG1 2.69Å; L307-L364 HydrophobicContact CD1-CD1 4.22Å; L307-L364 HydrophobicContact CD1-CD2 4.29Å; L307-L364 HydrophobicContact CD2-CD2 4.23Å; L307-L368 HydrophobicContact CD2-CD1 4.31Å; L307-L368 HydrophobicContact CG-CD1 4.3Å; L307-A385 HydrophobicContact CD2-CB 3.89Å; L307-L395 HydrophobicContact CD2-CD2 4.01Å
308	Q	93	Very high	91.5	Very high	135 Å²	135	80.9 Å²	80.9	63%	0.631	42%	0.418	S	S	*	.	H	α-helix	trans	-58	-39.7	176.2	-77.6	175.9	-2.4	0	0	112.1	V304 D305	V304-Q308 WeakPolarHBondContact O-CB 3.47Å; V304-Q308 VanDerWaalsContact O-CG 3.28Å; V304-Q308 WeakPolarHBondContact O-CG 3.22Å; V304-Q308 PolarHBondContact O-N 3.46Å; D305-Q308 PolarHBondContact O-N 3.38Å
309	K	94.4	Very high	91.9	Very high	139 Å²	139	80.2 Å²	80.2	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-72.5	-28.1	177.1	-71.4	169.1	-179.2	163	0	113.8	D305 A306 L307	D305-K309 VanDerWaalsContact CG-NZ 3.28Å; D305-K309 WeakPolarHBondContact O-CG 3.23Å; D305-K309 PolarHBondContact O-N 2.77Å; D305-K309 VanDerWaalsContact O-N 3.08Å; D305-K309 WeakPolarHBondContact OD1-CE 3.43Å; D305-K309 IonicContact OD1-NZ 2.68Å; D305-K309 PolarHBondContact OD1-NZ 3.3Å; D305-K309 VanDerWaalsContact OD1-NZ 3.12Å; D305-K309 WeakPolarHBondContact OD2-CE 3.33Å; D305-K309 IonicContact OD2-NZ 3.64Å; D305-K309 PolarHBondContact OD2-NZ 3.08Å; A306-K309 PolarHBondContact O-N 2.87Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.96Å
310	L	95.5	Very high	92.4	Very high	18 Å²	18	77.3 Å²	77.3	9%	0.094	41%	0.41	C	S	.	.	H	α-helix	trans	-94.9	-13.2	-177	-68.8	166.8	0	0	0	113.2	A306 L307 V312 L368 V382 A384 A385	A306-L310 WeakPolarHBondContact O-CB 3.35Å; A306-L310 WeakPolarHBondContact O-CD1 3.32Å; A306-L310 VanDerWaalsContact O-CG 3.23Å; A306-L310 WeakPolarHBondContact O-CG 3.31Å; A306-L310 PolarHBondContact O-N 2.75Å; A306-L310 VanDerWaalsContact O-N 3.12Å; L307-L310 CarbonylContact O-C 3.58Å; L307-L310 PolarHBondContact O-N 3.35Å; L307-L310 VanDerWaalsContact O-N 3.11Å; L310-V312 PolarHBondContact O-N 2.81Å; L310-L368 HydrophobicContact CD1-CD2 3.58Å; L310-V382 HydrophobicContact CD1-CB 4.13Å; L310-V382 HydrophobicContact CD1-CG1 3.8Å; L310-V382 HydrophobicContact CD2-CG1 4.29Å; L310-V382 VanDerWaalsContact CD2-O 3.31Å; L310-V382 WeakPolarHBondContact CD2-O 3.43Å; L310-A384 CarbonylContact O-C 3.56Å; L310-A384 WeakPolarHBondContact O-CA 3.38Å; L310-A385 HydrophobicContact CB-CB 3.89Å; L310-A385 PolarHBondContact O-N 3.34Å
311	T	94.6	Very high	93	Very high	87 Å²	87	75.8 Å²	75.8	53%	0.534	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-65.5	128.9	-172.9	-65	0	0	0	0	110.8	L307 A385	L307-T311 WeakPolarHBondContact O-CB 3.31Å; L307-T311 PolarHBondContact O-N 3.28Å; L307-T311 PolarHBondContact O-OG1 2.69Å; T311-A385 VanDerWaalsContact CA-O 3.25Å; T311-A385 WeakPolarHBondContact CA-O 3.47Å
312	V	92.9	Very high	93.3	Very high	33 Å²	33	77.4 Å²	77.4	20%	0.2	41%	0.41	C	S	.	.			trans	-126.3	156.8	172.3	-59.3	0	0	0	0	110.2	L310 I317 L336 A384 A385	L310-V312 PolarHBondContact O-N 2.81Å; V312-I317 HydrophobicContact CG2-CD1 3.59Å; V312-I317 HydrophobicContact CG2-CG1 4.36Å; V312-L336 HydrophobicContact CG2-CD1 4.45Å; V312-A384 HydrophobicContact CG1-CB 3.99Å; V312-A384 HydrophobicContact CG2-CB 3.78Å; V312-A385 PolarHBondContact N-O 2.8Å
313	D	90.8	Very high	93.5	Very high	109 Å²	109	76 Å²	76	58%	0.583	40%	0.402	S	S	*	.			trans	-65.4	140	174.6	-64.7	-44.7	0	0	0	110.9	D315 R316	D313-D315 WeakPolarHBondContact CB-OD1 3.38Å; D313-D315 PolarHBondContact O-N 3.05Å; D313-R316 WeakPolarHBondContact O-CB 3.15Å; D313-R316 PolarHBondContact O-N 2.74Å
314	S	87.4	Confident	93.6	Very high	79 Å²	79	76.3 Å²	76.3	55%	0.552	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-67.5	-20.2	-175.3	58	0	0	0	0	113.7	R316 I317	S314-R316 VanDerWaalsContact C-N 3.25Å; S314-R316 PolarHBondContact O-N 3.11Å; S314-I317 PolarHBondContact O-N 3.4Å
315	D	90.7	Very high	93.7	Very high	130 Å²	130	78.1 Å²	78.1	70%	0.695	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-69	-22.8	176.3	63.4	-20.8	0	0	0	112.9	D313 I317	D313-D315 WeakPolarHBondContact CB-OD1 3.38Å; D313-D315 PolarHBondContact O-N 3.05Å; D315-I317 PolarHBondContact O-N 2.95Å
316	R	92.3	Very high	93.7	Very high	88 Å²	88	76 Å²	76	33%	0.332	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-76.3	-3.8	173.9	-64.2	178.9	164.6	-149.5	-11.2	113.5	D313 S314 L336 E337 D339	D313-R316 WeakPolarHBondContact O-CB 3.15Å; D313-R316 PolarHBondContact O-N 2.74Å; S314-R316 VanDerWaalsContact C-N 3.25Å; S314-R316 PolarHBondContact O-N 3.11Å; R316-L336 HydrophobicContact CB-CD1 4.46Å; R316-L336 WeakPolarHBondContact O-CA 3.48Å; R316-E337 HydrophobicContact CB-CB 4.41Å; R316-E337 PolarHBondContact O-N 3.43Å; R316-D339 IonicContact CZ-OD1 2.91Å; R316-D339 VanDerWaalsContact CZ-OD1 3.3Å; R316-D339 IonicContact NH1-OD1 2.7Å; R316-D339 PolarHBondContact NH1-OD1 3.47Å; R316-D339 IonicContact NH2-OD1 2.69Å; R316-D339 PolarHBondContact NH2-OD1 2.69Å
317	I	93.1	Very high	93.5	Very high	17 Å²	17	81.8 Å²	81.8	9%	0.087	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.9	-173.8	-62.2	172.3	0	0	0	110.7	V312 S314 D315 L319 L335 L336 I346 F386	V312-I317 HydrophobicContact CG2-CD1 3.59Å; V312-I317 HydrophobicContact CG2-CG1 4.36Å; S314-I317 PolarHBondContact O-N 3.4Å; D315-I317 PolarHBondContact O-N 2.95Å; I317-L319 HydrophobicContact CG2-CD2 3.68Å; I317-L319 HydrophobicContact CG2-CG 4.25Å; I317-L335 WeakPolarHBondContact CA-O 3.31Å; I317-L336 HydrophobicContact CD1-CD1 4.07Å; I317-L336 HydrophobicContact CG1-CD1 3.59Å; I317-I346 HydrophobicContact CG2-CD1 4.16Å; I317-F386 HydrophobicContact CB-CE1 4.2Å; I317-F386 HydrophobicContact CB-CZ 4.39Å; I317-F386 HydrophobicContact CD1-CD1 3.27Å; I317-F386 HydrophobicContact CD1-CE1 3.31Å; I317-F386 HydrophobicContact CD1-CG 4.18Å; I317-F386 HydrophobicContact CD1-CZ 4.26Å; I317-F386 HydrophobicContact CG1-CE1 4.33Å; I317-F386 HydrophobicContact CG2-CE1 3.87Å; I317-F386 HydrophobicContact CG2-CZ 4.03Å
318	E	94.4	Very high	93.3	Very high	135 Å²	135	82.5 Å²	82.5	63%	0.631	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.5	168.4	-172.7	-179.1	169.4	0	0	109.2	G334 L335	E318-G334 CarbonylContact O-C 3.54Å; E318-G334 WeakPolarHBondContact O-CA 3.47Å; E318-L335 HydrophobicContact CB-CB 4.37Å; E318-L335 PolarHBondContact N-O 3.25Å; E318-L335 PolarHBondContact O-N 2.92Å
319	L	94.5	Very high	93.3	Very high	71 Å²	71	76.1 Å²	76.1	37%	0.372	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.5	174.6	-60.8	-178	0	0	0	110.6	I317 V332 F386 L394	I317-L319 HydrophobicContact CG2-CD2 3.68Å; I317-L319 HydrophobicContact CG2-CG 4.25Å; L319-V332 HydrophobicContact CD2-CG2 3.99Å; L319-F386 HydrophobicContact CD1-CZ 4.12Å; L319-F386 HydrophobicContact CD2-CZ 4.13Å; L319-F386 HydrophobicContact CG-CZ 4.31Å; L319-L394 HydrophobicContact CD1-CD1 3.74Å; L319-L394 HydrophobicContact CD2-CD1 3.72Å; L319-L394 HydrophobicContact CG-CD1 4.39Å
320	G	94.9	Very high	93.4	Very high	44 Å²	44	71.7 Å²	71.7	45%	0.454	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-144.8	176.8	0	0	0	0	0	112.8	S333	G320-S333 WeakPolarHBondContact CA-O 3.21Å; G320-S333 PolarHBondContact N-O 2.89Å
321	K	95.9	Very high	93.5	Very high	151 Å²	151	71.5 Å²	71.5	66%	0.657	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	151.3	-175.7	64.4	-179.6	178.8	-178.7	0	112.5	L323 V332 S333	K321-L323 HydrophobicContact CD-CD2 4.22Å; K321-L323 HydrophobicContact CG-CD2 3.93Å; K321-L323 PolarHBondContact O-N 3.17Å; K321-V332 WeakPolarHBondContact O-CA 3.23Å; K321-S333 PolarHBondContact N-OG 3.24Å; K321-S333 VanDerWaalsContact N-OG 3.1Å; K321-S333 PolarHBondContact O-N 3Å; K321-S333 PolarHBondContact O-OG 3.11Å
322	V	96.3	Very high	93.6	Very high	70 Å²	70	67.8 Å²	67.8	42%	0.424	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.9	163.8	-178	0	0	0	0	108.7	E325 E330 V332	V322-E325 HydrophobicContact CG1-CB 4.15Å; V322-E330 HydrophobicContact CG1-CB 4.36Å; V322-V332 HydrophobicContact CG2-CG1 4Å
323	L	95	Very high	93.8	Very high	72 Å²	72	67.7 Å²	67.7	38%	0.377	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-45	179.7	-61.8	176	0	0	0	111.3	K321 I331 L347	K321-L323 HydrophobicContact CD-CD2 4.22Å; K321-L323 HydrophobicContact CG-CD2 3.93Å; K321-L323 PolarHBondContact O-N 3.17Å; L323-I331 PolarHBondContact N-O 3.26Å; L323-L347 HydrophobicContact CD1-CD2 3.21Å
324	L	95	Very high	94	Very high	37 Å²	37	63 Å²	63	19%	0.194	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143	176.6	-84.5	83.1	0	0	0	109.2	E330 I331 N404 K407 L476 F477	L324-E330 CarbonylContact O-C 3.6Å; L324-E330 WeakPolarHBondContact O-CA 3.33Å; L324-I331 HydrophobicContact CB-CB 4.13Å; L324-I331 HydrophobicContact CB-CG1 4.01Å; L324-I331 PolarHBondContact N-O 2.86Å; L324-I331 PolarHBondContact O-N 3.07Å; L324-N404 HydrophobicContact CD1-CB 4.46Å; L324-N404 HydrophobicContact CD2-CB 4.28Å; L324-K407 HydrophobicContact CD2-CG 4.3Å; L324-L476 HydrophobicContact CB-CD2 4.32Å; L324-F477 HydrophobicContact CD2-CE2 4.47Å; L324-F477 HydrophobicContact CD2-CZ 3.89Å
325	E	95	Very high	94.5	Very high	129 Å²	129	62.3 Å²	62.3	60%	0.603	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.2	-177.6	-170.2	-177.5	170	0	0	109.6	V322 K352	V322-E325 HydrophobicContact CG1-CB 4.15Å; E325-K352 VanDerWaalsContact CG-NZ 3.33Å; E325-K352 VanDerWaalsContact OE1-CE 3.26Å; E325-K352 WeakPolarHBondContact OE1-CE 3.28Å; E325-K352 IonicContact OE1-NZ 3.69Å; E325-K352 PolarHBondContact OE1-NZ 3.25Å
326	G	93.4	Very high	94.7	Very high	12 Å²	12	56.6 Å²	56.6	12%	0.124	30%	0.295	C	S	.	.			trans	-109.3	-163.4	172.9	0	0	0	0	0	111.4	G329 K352 D475	G326-G329 PolarHBondContact N-O 3.15Å; G326-K352 PolarHBondContact O-NZ 3.11Å; G326-D475 WeakPolarHBondContact CA-O 3.46Å; G326-D475 VanDerWaalsContact CA-OD2 3.3Å; G326-D475 WeakPolarHBondContact CA-OD2 3.03Å
327	N	90.2	Very high	94.9	Very high	122 Å²	122	57.2 Å²	57.2	65%	0.652	30%	0.302	S	S	*	.	S	Bend	trans	-72.7	-33.5	178	-61	-56.3	0	0	0	112.3	D475	N327-D475 WeakPolarHBondContact CA-OD1 3.15Å; N327-D475 VanDerWaalsContact CB-OD1 3.26Å; N327-D475 WeakPolarHBondContact CB-OD1 3.02Å; N327-D475 VanDerWaalsContact N-CG 3.27Å; N327-D475 PolarHBondContact N-OD1 3.38Å; N327-D475 PolarHBondContact N-OD2 3.07Å; N327-D475 VanDerWaalsContact N-OD2 3.1Å
328	F	90.3	Very high	94.7	Very high	55 Å²	55	61 Å²	61	24%	0.241	32%	0.317	C	S	.	.	S	Bend	trans	-135	-5.1	-174.4	61	-100.6	0	0	0	115	L351 K352 L472 D475	F328-L351 HydrophobicContact CD2-CD2 3.64Å; F328-L351 HydrophobicContact CE2-CD2 4.11Å; F328-L351 CarbonylContact O-C 3.59Å; F328-L351 WeakPolarHBondContact O-CA 3.49Å; F328-K352 PolarHBondContact O-N 2.92Å; F328-L472 HydrophobicContact CE2-CD2 4.21Å; F328-D475 HydrophobicContact CD1-CB 4.12Å; F328-D475 VanDerWaalsContact CD1-CG 3.41Å; F328-D475 WeakPolarHBondContact CD1-OD1 3.4Å; F328-D475 HydrophobicContact CD2-CB 4.32Å; F328-D475 HydrophobicContact CE1-CB 3.6Å; F328-D475 VanDerWaalsContact CE1-CG 3.41Å; F328-D475 WeakPolarHBondContact CE1-OD1 3.26Å; F328-D475 HydrophobicContact CE2-CB 3.83Å; F328-D475 HydrophobicContact CG-CB 4.47Å; F328-D475 HydrophobicContact CZ-CB 3.45Å; F328-D475 VanDerWaalsContact CZ-CB 3.45Å; F328-D475 PolarHBondContact N-OD1 2.76Å; F328-D475 PolarHBondContact N-OD2 2.92Å
329	G	93.6	Very high	94.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	166.3	175.2	0	0	0	0	0	112.5	G326 T350 D475	G326-G329 PolarHBondContact N-O 3.15Å; G329-T350 CarbonylContact C-O 3.57Å; G329-T350 VanDerWaalsContact CA-O 3.27Å; G329-T350 WeakPolarHBondContact CA-O 3.36Å; G329-D475 PolarHBondContact N-OD2 3.5Å
330	E	95.7	Very high	93.6	Very high	46 Å²	46	61 Å²	61	22%	0.215	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.5	-178	61.4	-170.4	-153	0	0	111.1	V322 L324 T350	V322-E330 HydrophobicContact CG1-CB 4.36Å; L324-E330 CarbonylContact O-C 3.6Å; L324-E330 WeakPolarHBondContact O-CA 3.33Å; E330-T350 HydrophobicContact CG-CG2 3.45Å; E330-T350 VanDerWaalsContact CG-CG2 3.45Å; E330-T350 PolarHBondContact N-O 2.89Å; E330-T350 PolarHBondContact O-N 3.22Å
331	I	97.2	Very high	93.1	Very high	15 Å²	15	61.3 Å²	61.3	8%	0.077	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.5	175	-50.4	-65.6	0	0	0	107.2	L323 L324 L347 G348 K349 L472 L476	L323-I331 PolarHBondContact N-O 3.26Å; L324-I331 HydrophobicContact CB-CB 4.13Å; L324-I331 HydrophobicContact CB-CG1 4.01Å; L324-I331 PolarHBondContact N-O 2.86Å; L324-I331 PolarHBondContact O-N 3.07Å; I331-L347 HydrophobicContact CG2-CB 4.34Å; I331-L347 HydrophobicContact CG2-CD2 4.07Å; I331-G348 CarbonylContact C-O 3.49Å; I331-G348 WeakPolarHBondContact CA-O 3.34Å; I331-K349 HydrophobicContact CD1-CB 4.23Å; I331-K349 HydrophobicContact CD1-CD 4.15Å; I331-K349 HydrophobicContact CD1-CG 3.56Å; I331-L472 HydrophobicContact CD1-CD1 4.16Å; I331-L476 HydrophobicContact CD1-CD1 3.85Å; I331-L476 HydrophobicContact CG1-CD1 3.68Å
332	V	96.6	Very high	92.9	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.048	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.3	177.8	-64.1	0	0	0	0	110.4	L319 K321 V322 L347 G348 L394	L319-V332 HydrophobicContact CD2-CG2 3.99Å; K321-V332 WeakPolarHBondContact O-CA 3.23Å; V322-V332 HydrophobicContact CG2-CG1 4Å; V332-L347 CarbonylContact O-C 3.47Å; V332-L347 WeakPolarHBondContact O-CA 3.32Å; V332-G348 WeakPolarHBondContact CG2-O 3.33Å; V332-G348 PolarHBondContact N-O 3.05Å; V332-G348 PolarHBondContact O-N 3.15Å; V332-L394 HydrophobicContact CG2-CD1 4.2Å
333	S	97	Very high	92.8	Very high	32 Å²	32	58.3 Å²	58.3	22%	0.224	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	160.7	164.3	62.8	0	0	0	0	109.8	G320 K321 I346	G320-S333 WeakPolarHBondContact CA-O 3.21Å; G320-S333 PolarHBondContact N-O 2.89Å; K321-S333 PolarHBondContact N-OG 3.24Å; K321-S333 VanDerWaalsContact N-OG 3.1Å; K321-S333 PolarHBondContact O-N 3Å; K321-S333 PolarHBondContact O-OG 3.11Å; S333-I346 CarbonylContact C-O 3.49Å
334	G	96.4	Very high	92.8	Very high	9 Å²	9	56.2 Å²	56.2	9%	0.093	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	179.4	167.7	0	0	0	0	0	113.3	E318 I346	E318-G334 CarbonylContact O-C 3.54Å; E318-G334 WeakPolarHBondContact O-CA 3.47Å; G334-I346 PolarHBondContact N-O 3.05Å; G334-I346 VanDerWaalsContact O-CG1 3.3Å; G334-I346 WeakPolarHBondContact O-CG1 3.14Å; G334-I346 PolarHBondContact O-N 3.4Å
335	L	96.7	Very high	92.9	Very high	65 Å²	65	57.6 Å²	57.6	34%	0.34	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.8	171.8	-66	171	0	0	0	108.9	I317 E318 V344 D345	I317-L335 WeakPolarHBondContact CA-O 3.31Å; E318-L335 HydrophobicContact CB-CB 4.37Å; E318-L335 PolarHBondContact N-O 3.25Å; E318-L335 PolarHBondContact O-N 2.92Å; L335-V344 WeakPolarHBondContact CA-O 3.38Å; L335-D345 WeakPolarHBondContact CD2-OD1 3.24Å
336	L	96	Very high	93	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.052	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.1	172.2	170.4	67.6	0	0	0	109	V312 R316 I317 K338 A343 V344 I346 V383 A384	V312-L336 HydrophobicContact CG2-CD1 4.45Å; R316-L336 HydrophobicContact CB-CD1 4.46Å; R316-L336 WeakPolarHBondContact O-CA 3.48Å; I317-L336 HydrophobicContact CD1-CD1 4.07Å; I317-L336 HydrophobicContact CG1-CD1 3.59Å; L336-K338 PolarHBondContact O-N 2.92Å; L336-A343 CarbonylContact O-C 3.54Å; L336-A343 WeakPolarHBondContact O-CA 3.42Å; L336-V344 HydrophobicContact CB-CG2 3.97Å; L336-V344 HydrophobicContact CD2-CG2 4.35Å; L336-V344 HydrophobicContact CG-CG2 4.4Å; L336-V344 PolarHBondContact N-O 3.18Å; L336-V344 PolarHBondContact O-N 3.4Å; L336-I346 HydrophobicContact CB-CG2 3.64Å; L336-I346 HydrophobicContact CD2-CG2 4.35Å; L336-V383 HydrophobicContact CD2-CG2 4.13Å; L336-A384 HydrophobicContact CD1-CB 4.4Å; L336-A384 HydrophobicContact CD2-CB 4.04Å
337	E	95	Very high	93.2	Very high	102 Å²	102	51.8 Å²	51.8	48%	0.477	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	109.4	169	-169.4	178.6	166.5	0	0	109.6	R316	R316-E337 HydrophobicContact CB-CB 4.41Å; R316-E337 PolarHBondContact O-N 3.43Å
338	K	88.8	Confident	93.5	Very high	95 Å²	95	46 Å²	46	41%	0.413	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	160.3	173.3	-74.7	-173.1	170	177.5	0	111.2	L336 G340 G341 V342 V344	L336-K338 PolarHBondContact O-N 2.92Å; K338-G340 PolarHBondContact O-N 3.48Å; K338-G340 VanDerWaalsContact O-N 3.15Å; K338-G341 PolarHBondContact O-N 3.37Å; K338-V342 PolarHBondContact N-O 3.15Å; K338-V344 HydrophobicContact CD-CG1 3.97Å; K338-V344 HydrophobicContact CD-CG2 4.21Å; K338-V344 HydrophobicContact CG-CG1 4.42Å; K338-V344 HydrophobicContact CG-CG2 4.16Å
339	D	82.8	Confident	93.9	Very high	130 Å²	130	44.1 Å²	44.1	70%	0.695	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	122.4	171.3	-60.4	-42.6	0	0	0	110.1	R316	R316-D339 IonicContact CZ-OD1 2.91Å; R316-D339 VanDerWaalsContact CZ-OD1 3.3Å; R316-D339 IonicContact NH1-OD1 2.7Å; R316-D339 PolarHBondContact NH1-OD1 3.47Å; R316-D339 IonicContact NH2-OD1 2.69Å; R316-D339 PolarHBondContact NH2-OD1 2.69Å
340	G	83.9	Confident	94	Very high	78 Å²	78	44.3 Å²	44.3	80%	0.804	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.2	2.1	-171.7	0	0	0	0	0	115.3	K338 V342	K338-G340 PolarHBondContact O-N 3.48Å; K338-G340 VanDerWaalsContact O-N 3.15Å; G340-V342 VanDerWaalsContact C-N 3.31Å; G340-V342 PolarHBondContact O-N 3.09Å
341	G	85.2	Confident	93.9	Very high	50 Å²	50	42.1 Å²	42.1	52%	0.515	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	14	174.4	0	0	0	0	0	114.2	K338	K338-G341 PolarHBondContact O-N 3.37Å
342	V	90.8	Very high	93.6	Very high	95 Å²	95	43.4 Å²	43.4	58%	0.576	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	114.4	177.6	-179.2	0	0	0	0	108.8	K338 G340	K338-V342 PolarHBondContact N-O 3.15Å; G340-V342 VanDerWaalsContact C-N 3.31Å; G340-V342 PolarHBondContact O-N 3.09Å
343	A	93.7	Very high	93.2	Very high	63 Å²	63	50.7 Å²	50.7	52%	0.521	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135	172.4	0	0	0	0	0	110.9	L336	L336-A343 CarbonylContact O-C 3.54Å; L336-A343 WeakPolarHBondContact O-CA 3.42Å
344	V	95.7	Very high	92.5	Very high	28 Å²	28	55.1 Å²	55.1	17%	0.17	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.1	173.8	-60.6	0	0	0	0	111	L335 L336 K338 I346 V398	L335-V344 WeakPolarHBondContact CA-O 3.38Å; L336-V344 HydrophobicContact CB-CG2 3.97Å; L336-V344 HydrophobicContact CD2-CG2 4.35Å; L336-V344 HydrophobicContact CG-CG2 4.4Å; L336-V344 PolarHBondContact N-O 3.18Å; L336-V344 PolarHBondContact O-N 3.4Å; K338-V344 HydrophobicContact CD-CG1 3.97Å; K338-V344 HydrophobicContact CD-CG2 4.21Å; K338-V344 HydrophobicContact CG-CG1 4.42Å; K338-V344 HydrophobicContact CG-CG2 4.16Å; V344-I346 HydrophobicContact CG2-CG2 4.23Å; V344-V398 HydrophobicContact CG2-CG2 4.2Å
345	D	97	Very high	92	Very high	66 Å²	66	55.8 Å²	55.8	35%	0.353	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.7	173.5	-61.9	-53.3	0	0	0	110.8	L335 H399 R400	L335-D345 WeakPolarHBondContact CD2-OD1 3.24Å; D345-H399 CarbonylContact C-O 3.54Å; D345-H399 WeakPolarHBondContact CB-O 3.34Å; D345-H399 PolarHBondContact O-N 3.08Å; D345-H399 VanDerWaalsContact O-N 3.09Å; D345-R400 HydrophobicContact CB-CB 4.24Å; D345-R400 WeakPolarHBondContact OD2-CD 3.28Å; D345-R400 IonicContact OD2-NE 2.82Å
346	I	97.3	Very high	91.6	Very high	4 Å²	4	55 Å²	55	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.9	178.9	62.3	148.2	0	0	0	112.8	I317 S333 G334 L336 V344 C396 Y397	I317-I346 HydrophobicContact CG2-CD1 4.16Å; S333-I346 CarbonylContact C-O 3.49Å; G334-I346 PolarHBondContact N-O 3.05Å; G334-I346 VanDerWaalsContact O-CG1 3.3Å; G334-I346 WeakPolarHBondContact O-CG1 3.14Å; G334-I346 PolarHBondContact O-N 3.4Å; L336-I346 HydrophobicContact CB-CG2 3.64Å; L336-I346 HydrophobicContact CD2-CG2 4.35Å; V344-I346 HydrophobicContact CG2-CG2 4.23Å; I346-C396 HydrophobicContact CB-CB 4.49Å; I346-C396 HydrophobicContact CD1-CB 3.79Å; I346-C396 VanDerWaalsContact CD1-SG 3.51Å; I346-Y397 CarbonylContact C-O 3.49Å; I346-Y397 WeakPolarHBondContact CA-O 3.18Å; I346-Y397 WeakPolarHBondContact CB-O 3.4Å
347	L	97.9	Very high	91.2	Very high	15 Å²	15	62.8 Å²	62.8	8%	0.079	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.6	158.3	-65.6	172.6	0	0	0	109	L323 I331 V332 C396 Y397 H399 L458	L323-L347 HydrophobicContact CD1-CD2 3.21Å; I331-L347 HydrophobicContact CG2-CB 4.34Å; I331-L347 HydrophobicContact CG2-CD2 4.07Å; V332-L347 CarbonylContact O-C 3.47Å; V332-L347 WeakPolarHBondContact O-CA 3.32Å; L347-C396 CarbonylContact O-C 3.6Å; L347-C396 WeakPolarHBondContact O-CA 3.24Å; L347-Y397 PolarHBondContact N-O 2.82Å; L347-Y397 PolarHBondContact O-N 3.05Å; L347-H399 HydrophobicContact CD1-CB 3.72Å; L347-H399 HydrophobicContact CG-CB 3.85Å; L347-L458 HydrophobicContact CD1-CD1 3.93Å; L347-L458 HydrophobicContact CD1-CD2 3.74Å; L347-L458 HydrophobicContact CD1-CG 4.48Å
348	G	96.9	Very high	90.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.3	170.6	0	0	0	0	0	110.8	I331 V332 L395	I331-G348 CarbonylContact C-O 3.49Å; I331-G348 WeakPolarHBondContact CA-O 3.34Å; V332-G348 WeakPolarHBondContact CG2-O 3.33Å; V332-G348 PolarHBondContact N-O 3.05Å; V332-G348 PolarHBondContact O-N 3.15Å; G348-L395 WeakPolarHBondContact CA-O 3.36Å
349	K	97.4	Very high	91	Very high	15 Å²	15	60.3 Å²	60.3	7%	0.065	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.4	166.1	-61.6	-164.1	177.8	179.5	0	108.9	I331 F363 L394 L395 Y397 D469 G471 L472	I331-K349 HydrophobicContact CD1-CB 4.23Å; I331-K349 HydrophobicContact CD1-CD 4.15Å; I331-K349 HydrophobicContact CD1-CG 3.56Å; K349-F363 HydrophobicContact CB-CE2 3.81Å; K349-F363 HydrophobicContact CB-CZ 3.75Å; K349-F363 HydrophobicContact CD-CE2 4.38Å; K349-F363 WeakPolarHBondContact O-CZ 3.42Å; K349-L394 CarbonylContact O-C 3.54Å; K349-L394 VanDerWaalsContact O-CA 3.3Å; K349-L394 WeakPolarHBondContact O-CA 3.46Å; K349-L395 PolarHBondContact N-O 3.36Å; K349-L395 PolarHBondContact O-N 3.3Å; K349-Y397 HydrophobicContact CB-CE2 4.26Å; K349-Y397 HydrophobicContact CD-CD2 4.49Å; K349-Y397 HydrophobicContact CD-CE2 3.67Å; K349-Y397 HydrophobicContact CG-CD2 4.1Å; K349-Y397 HydrophobicContact CG-CE2 3.6Å; K349-D469 PolarHBondContact NZ-O 2.91Å; K349-D469 IonicContact NZ-OD1 3.3Å; K349-D469 PolarHBondContact NZ-OD1 3.49Å; K349-D469 IonicContact NZ-OD2 3.95Å; K349-D469 PolarHBondContact NZ-OD2 3.08Å; K349-G471 PolarHBondContact NZ-O 3.29Å; K349-G471 VanDerWaalsContact NZ-O 3.14Å; K349-L472 HydrophobicContact CB-CD1 4.13Å
350	T	95.8	Very high	91.5	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.025	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	167.8	175.3	-172.5	0	0	0	0	111.3	G329 E330 P393 L394	G329-T350 CarbonylContact C-O 3.57Å; G329-T350 VanDerWaalsContact CA-O 3.27Å; G329-T350 WeakPolarHBondContact CA-O 3.36Å; E330-T350 HydrophobicContact CG-CG2 3.45Å; E330-T350 VanDerWaalsContact CG-CG2 3.45Å; E330-T350 PolarHBondContact N-O 2.89Å; E330-T350 PolarHBondContact O-N 3.22Å; T350-P393 PolarHBondContact OG1-O 2.96Å; T350-L394 HydrophobicContact CG2-CD1 4.42Å
351	L	94.4	Very high	91.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	165.6	172.5	-66.1	167.7	0	0	0	110.4	F328 A355 V360 F363 L392 L472	F328-L351 HydrophobicContact CD2-CD2 3.64Å; F328-L351 HydrophobicContact CE2-CD2 4.11Å; F328-L351 CarbonylContact O-C 3.59Å; F328-L351 WeakPolarHBondContact O-CA 3.49Å; L351-A355 HydrophobicContact CB-CB 3.86Å; L351-A355 HydrophobicContact CD1-CB 4.13Å; L351-A355 HydrophobicContact CD2-CB 4.42Å; L351-A355 HydrophobicContact CG-CB 4.38Å; L351-V360 HydrophobicContact CD1-CB 4.08Å; L351-V360 HydrophobicContact CD1-CG2 3.63Å; L351-F363 HydrophobicContact CD1-CB 3.95Å; L351-F363 HydrophobicContact CD1-CD1 3.82Å; L351-F363 HydrophobicContact CD1-CG 4.09Å; L351-F363 HydrophobicContact CD2-CB 4.27Å; L351-F363 HydrophobicContact CD2-CG 4.31Å; L351-F363 HydrophobicContact CG-CB 4.36Å; L351-F363 HydrophobicContact CG-CD1 3.97Å; L351-F363 HydrophobicContact CG-CG 4.14Å; L351-L392 HydrophobicContact CB-CD1 3.65Å; L351-L392 WeakPolarHBondContact O-CD1 3.49Å; L351-L392 VanDerWaalsContact O-CD2 3.3Å; L351-L392 WeakPolarHBondContact O-CD2 3.28Å; L351-L472 HydrophobicContact CD2-CD2 3.66Å
352	K	91.3	Very high	92.2	Very high	42 Å²	42	59 Å²	59	18%	0.183	32%	0.315	C	S	.	.			trans	-87	157.7	169.4	-66.4	178.9	176.2	177.3	0	110.1	E325 G326 F328 N354 A355	E325-K352 VanDerWaalsContact CG-NZ 3.33Å; E325-K352 VanDerWaalsContact OE1-CE 3.26Å; E325-K352 WeakPolarHBondContact OE1-CE 3.28Å; E325-K352 IonicContact OE1-NZ 3.69Å; E325-K352 PolarHBondContact OE1-NZ 3.25Å; G326-K352 PolarHBondContact O-NZ 3.11Å; F328-K352 PolarHBondContact O-N 2.92Å; K352-N354 WeakPolarHBondContact CB-OD1 3.28Å; K352-N354 PolarHBondContact O-N 3.41Å; K352-A355 VanDerWaalsContact O-CB 3.29Å; K352-A355 WeakPolarHBondContact O-CB 3.36Å; K352-A355 PolarHBondContact O-N 3.38Å
353	K	86.2	Confident	92.4	Very high	162 Å²	162	54.6 Å²	54.6	70%	0.704	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-23	-174.6	-60.5	-171.7	178.6	-158.2	0	115.3	E389	K353-E389 WeakPolarHBondContact CE-OE1 3.42Å; K353-E389 IonicContact NZ-OE1 3.69Å; K353-E389 PolarHBondContact NZ-OE1 3.41Å; K353-E389 IonicContact NZ-OE2 3.22Å
354	N	83.1	Confident	92.5	Very high	124 Å²	124	52.4 Å²	52.4	66%	0.663	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	4.8	179.7	65.7	-30	0	0	0	113.7	K352 S356	K352-N354 WeakPolarHBondContact CB-OD1 3.28Å; K352-N354 PolarHBondContact O-N 3.41Å; N354-S356 PolarHBondContact O-N 2.82Å
355	A	85.8	Confident	92.4	Very high	23 Å²	23	58.8 Å²	58.8	19%	0.19	29%	0.289	C	S	.	.			trans	-65.7	131.1	179	0	0	0	0	0	111.5	L351 K352 Q359 V360	L351-A355 HydrophobicContact CB-CB 3.86Å; L351-A355 HydrophobicContact CD1-CB 4.13Å; L351-A355 HydrophobicContact CD2-CB 4.42Å; L351-A355 HydrophobicContact CG-CB 4.38Å; K352-A355 VanDerWaalsContact O-CB 3.29Å; K352-A355 WeakPolarHBondContact O-CB 3.36Å; K352-A355 PolarHBondContact O-N 3.38Å; A355-Q359 HydrophobicContact CB-CB 4.46Å; A355-V360 HydrophobicContact CB-CG2 4.5Å
356	S	87.9	Confident	92.4	Very high	49 Å²	49	57 Å²	57	34%	0.343	28%	0.279	S	S	.	.			trans	-71.2	157.3	173.7	66.5	0	0	0	0	111.8	N354 S358 Q359 V360	N354-S356 PolarHBondContact O-N 2.82Å; S356-S358 PolarHBondContact O-N 3.09Å; S356-S358 PolarHBondContact OG-OG 3.41Å; S356-Q359 WeakPolarHBondContact O-CA 3.02Å; S356-Q359 WeakPolarHBondContact O-CB 3.46Å; S356-Q359 PolarHBondContact O-N 3.03Å; S356-Q359 WeakPolarHBondContact OG-CG 3.35Å; S356-Q359 PolarHBondContact OG-N 3.38Å; S356-Q359 PolarHBondContact OG-OE1 2.88Å; S356-V360 WeakPolarHBondContact O-CG2 3.35Å; S356-V360 PolarHBondContact O-N 2.87Å
357	E	88.3	Confident	92.4	Very high	173 Å²	173	57 Å²	57	81%	0.808	28%	0.279	S	S	*	.	H	α-helix	trans	-54.4	-36.8	174.7	-172	-177.9	177.2	0	0	112.5	Q359 V360 N361	E357-Q359 VanDerWaalsContact C-N 3.31Å; E357-Q359 PolarHBondContact O-N 2.88Å; E357-V360 PolarHBondContact O-N 3.26Å; E357-N361 WeakPolarHBondContact O-CB 3.27Å; E357-N361 PolarHBondContact O-N 3.14Å
358	S	89.1	Confident	92.3	Very high	88 Å²	88	56.4 Å²	56.4	62%	0.615	28%	0.276	S	S	*	.	H	α-helix	trans	-63.6	-35.7	176	73.9	0	0	0	0	113	S356 R362	S356-S358 PolarHBondContact O-N 3.09Å; S356-S358 PolarHBondContact OG-OG 3.41Å; S358-R362 WeakPolarHBondContact O-CB 3.23Å; S358-R362 PolarHBondContact O-N 3.2Å; S358-R362 VanDerWaalsContact O-N 3.1Å
359	Q	90.7	Very high	92.2	Very high	57 Å²	57	58 Å²	58	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-73	-40.5	175.1	-71.7	164.5	-62.9	0	0	110.9	A355 S356 E357 R362 F363	A355-Q359 HydrophobicContact CB-CB 4.46Å; S356-Q359 WeakPolarHBondContact O-CA 3.02Å; S356-Q359 WeakPolarHBondContact O-CB 3.46Å; S356-Q359 PolarHBondContact O-N 3.03Å; S356-Q359 WeakPolarHBondContact OG-CG 3.35Å; S356-Q359 PolarHBondContact OG-N 3.38Å; S356-Q359 PolarHBondContact OG-OE1 2.88Å; E357-Q359 VanDerWaalsContact C-N 3.31Å; E357-Q359 PolarHBondContact O-N 2.88Å; Q359-R362 PolarHBondContact O-N 2.56Å; Q359-F363 VanDerWaalsContact O-CB 3.28Å; Q359-F363 WeakPolarHBondContact O-CB 3.27Å; Q359-F363 PolarHBondContact O-N 2.91Å
360	V	92.3	Very high	92.2	Very high	29 Å²	29	57.8 Å²	57.8	18%	0.176	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-49.1	173.8	178.9	0	0	0	0	110.8	L351 A355 S356 E357 R362 F363 L364 P393	L351-V360 HydrophobicContact CD1-CB 4.08Å; L351-V360 HydrophobicContact CD1-CG2 3.63Å; A355-V360 HydrophobicContact CB-CG2 4.5Å; S356-V360 WeakPolarHBondContact O-CG2 3.35Å; S356-V360 PolarHBondContact O-N 2.87Å; E357-V360 PolarHBondContact O-N 3.26Å; V360-R362 PolarHBondContact O-N 2.94Å; V360-F363 PolarHBondContact O-N 2.68Å; V360-L364 HydrophobicContact CG1-CD1 4.1Å; V360-L364 WeakPolarHBondContact O-CG 3.24Å; V360-L364 PolarHBondContact O-N 2.82Å; V360-P393 HydrophobicContact CG1-CG 4.01Å
361	N	91.9	Very high	92.2	Very high	65 Å²	65	59.9 Å²	59.9	35%	0.348	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-42.4	-179.7	-167	-92.7	0	0	0	112	E357 R365	E357-N361 WeakPolarHBondContact O-CB 3.27Å; E357-N361 PolarHBondContact O-N 3.14Å; N361-R365 WeakPolarHBondContact O-CG 3.19Å; N361-R365 PolarHBondContact O-N 3.02Å; N361-R365 PolarHBondContact OD1-NE 3.44Å; N361-R365 PolarHBondContact OD1-NH2 2.81Å
362	R	92.4	Very high	92.1	Very high	136 Å²	136	63 Å²	63	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-47.8	174.8	-178.4	179.4	-66.6	-176.7	-2.4	111.5	S358 Q359 V360 L364 R365 E366	S358-R362 WeakPolarHBondContact O-CB 3.23Å; S358-R362 PolarHBondContact O-N 3.2Å; S358-R362 VanDerWaalsContact O-N 3.1Å; Q359-R362 PolarHBondContact O-N 2.56Å; V360-R362 PolarHBondContact O-N 2.94Å; R362-L364 VanDerWaalsContact C-N 3.33Å; R362-L364 PolarHBondContact O-N 2.75Å; R362-R365 PolarHBondContact O-N 2.78Å; R362-E366 HydrophobicContact CG-CG 4.2Å; R362-E366 WeakPolarHBondContact O-CB 3.22Å; R362-E366 WeakPolarHBondContact O-CG 3.48Å; R362-E366 PolarHBondContact O-N 2.87Å
363	F	95.3	Very high	92.4	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.013	33%	0.326	C	S	.	.	H	α-helix	trans	-55.6	-47.4	178.7	168.3	-117.4	0	0	0	111.7	K349 L351 Q359 V360 S367 P393 L395 L472	K349-F363 HydrophobicContact CB-CE2 3.81Å; K349-F363 HydrophobicContact CB-CZ 3.75Å; K349-F363 HydrophobicContact CD-CE2 4.38Å; K349-F363 WeakPolarHBondContact O-CZ 3.42Å; L351-F363 HydrophobicContact CD1-CB 3.95Å; L351-F363 HydrophobicContact CD1-CD1 3.82Å; L351-F363 HydrophobicContact CD1-CG 4.09Å; L351-F363 HydrophobicContact CD2-CB 4.27Å; L351-F363 HydrophobicContact CD2-CG 4.31Å; L351-F363 HydrophobicContact CG-CB 4.36Å; L351-F363 HydrophobicContact CG-CD1 3.97Å; L351-F363 HydrophobicContact CG-CG 4.14Å; Q359-F363 VanDerWaalsContact O-CB 3.28Å; Q359-F363 WeakPolarHBondContact O-CB 3.27Å; Q359-F363 PolarHBondContact O-N 2.91Å; V360-F363 PolarHBondContact O-N 2.68Å; F363-S367 WeakPolarHBondContact CD2-OG 3.49Å; F363-S367 WeakPolarHBondContact CE2-OG 3.35Å; F363-S367 WeakPolarHBondContact O-CB 3.43Å; F363-S367 PolarHBondContact O-N 3.14Å; F363-S367 PolarHBondContact O-OG 3.22Å; F363-P393 HydrophobicContact CD1-CG 4.14Å; F363-P393 HydrophobicContact CE1-CG 4.13Å; F363-L395 HydrophobicContact CE1-CD1 4.04Å; F363-L395 HydrophobicContact CE1-CG 4.14Å; F363-L395 HydrophobicContact CZ-CB 4.46Å; F363-L395 HydrophobicContact CZ-CD1 3.85Å; F363-L395 HydrophobicContact CZ-CG 4.03Å; F363-L472 HydrophobicContact CD2-CD1 4.41Å; F363-L472 HydrophobicContact CD2-CD2 3.6Å; F363-L472 HydrophobicContact CD2-CG 3.72Å; F363-L472 HydrophobicContact CE2-CD1 4Å; F363-L472 HydrophobicContact CE2-CD2 4.05Å; F363-L472 HydrophobicContact CE2-CG 3.75Å; F363-L472 HydrophobicContact CG-CD2 4.31Å
364	L	95.4	Very high	92.9	Very high	17 Å²	17	57.9 Å²	57.9	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-44.4	178.2	-69	173.8	0	0	0	112.3	I303 L307 V360 R362 E366 S367 L368 P393 L395	I303-L364 HydrophobicContact CD1-CB 4.37Å; I303-L364 HydrophobicContact CG2-CB 4.04Å; I303-L364 HydrophobicContact CG2-CD1 3.98Å; L307-L364 HydrophobicContact CD1-CD1 4.22Å; L307-L364 HydrophobicContact CD1-CD2 4.29Å; L307-L364 HydrophobicContact CD2-CD2 4.23Å; V360-L364 HydrophobicContact CG1-CD1 4.1Å; V360-L364 WeakPolarHBondContact O-CG 3.24Å; V360-L364 PolarHBondContact O-N 2.82Å; R362-L364 VanDerWaalsContact C-N 3.33Å; R362-L364 PolarHBondContact O-N 2.75Å; L364-E366 PolarHBondContact O-N 3.07Å; L364-S367 PolarHBondContact O-N 3.31Å; L364-L368 VanDerWaalsContact O-CB 3.28Å; L364-L368 WeakPolarHBondContact O-CB 3.32Å; L364-L368 WeakPolarHBondContact O-CG 3.19Å; L364-L368 PolarHBondContact O-N 2.8Å; L364-P393 HydrophobicContact CD2-CB 3.94Å; L364-P393 HydrophobicContact CD2-CG 3.99Å; L364-P393 HydrophobicContact CG-CG 4.33Å; L364-L395 HydrophobicContact CD2-CD1 4.26Å; L364-L395 HydrophobicContact CD2-CD2 4.42Å
365	R	94.6	Very high	93.6	Very high	162 Å²	162	57.5 Å²	57.5	61%	0.611	32%	0.322	S	S	*	.	H	α-helix	trans	-61.1	-45	177.6	-75.9	-176.5	-166.3	-139.3	2.2	112.5	I303 N361 R362 A369	I303-R365 HydrophobicContact CD1-CG 3.63Å; N361-R365 WeakPolarHBondContact O-CG 3.19Å; N361-R365 PolarHBondContact O-N 3.02Å; N361-R365 PolarHBondContact OD1-NE 3.44Å; N361-R365 PolarHBondContact OD1-NH2 2.81Å; R362-R365 PolarHBondContact O-N 2.78Å; R365-A369 PolarHBondContact O-N 3.38Å
366	E	95.4	Very high	94.2	Very high	30 Å²	30	58.6 Å²	58.6	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-70.4	-42.6	-179	-70.5	177.1	166.8	0	0	110.7	R362 L364 A369 D469 R474	R362-E366 HydrophobicContact CG-CG 4.2Å; R362-E366 WeakPolarHBondContact O-CB 3.22Å; R362-E366 WeakPolarHBondContact O-CG 3.48Å; R362-E366 PolarHBondContact O-N 2.87Å; L364-E366 PolarHBondContact O-N 3.07Å; E366-A369 WeakPolarHBondContact O-CB 3.32Å; E366-A369 PolarHBondContact O-N 2.7Å; E366-D469 WeakPolarHBondContact O-CB 3.47Å; E366-R474 IonicContact OE1-NH2 3.56Å; E366-R474 PolarHBondContact OE1-NH2 3.41Å
367	S	97.2	Very high	94.6	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.028	33%	0.334	C	S	.	.	H	α-helix	trans	-71.6	-32.6	-177.9	-55.3	0	0	0	0	114.2	F363 L364 A369 D469	F363-S367 WeakPolarHBondContact CD2-OG 3.49Å; F363-S367 WeakPolarHBondContact CE2-OG 3.35Å; F363-S367 WeakPolarHBondContact O-CB 3.43Å; F363-S367 PolarHBondContact O-N 3.14Å; F363-S367 PolarHBondContact O-OG 3.22Å; L364-S367 PolarHBondContact O-N 3.31Å; S367-A369 VanDerWaalsContact C-N 3.3Å; S367-D469 VanDerWaalsContact CA-OD1 3.32Å; S367-D469 WeakPolarHBondContact CA-OD1 3.4Å
368	L	96.8	Very high	95.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	8.9	178.4	-62.4	169.5	0	0	0	112.6	V301 I303 A306 L307 L310 L364 F370 H371 V382	V301-L368 HydrophobicContact CG1-CB 4.32Å; I303-L368 HydrophobicContact CG2-CD1 4.07Å; A306-L368 HydrophobicContact CB-CD1 4.11Å; A306-L368 HydrophobicContact CB-CD2 4.47Å; L307-L368 HydrophobicContact CD2-CD1 4.31Å; L307-L368 HydrophobicContact CG-CD1 4.3Å; L310-L368 HydrophobicContact CD1-CD2 3.58Å; L364-L368 VanDerWaalsContact O-CB 3.28Å; L364-L368 WeakPolarHBondContact O-CB 3.32Å; L364-L368 WeakPolarHBondContact O-CG 3.19Å; L364-L368 PolarHBondContact O-N 2.8Å; L368-F370 PolarHBondContact O-N 3.33Å; L368-F370 VanDerWaalsContact O-N 3.11Å; L368-H371 HydrophobicContact CB-CB 4.35Å; L368-H371 WeakPolarHBondContact O-CB 3.38Å; L368-H371 PolarHBondContact O-N 2.78Å; L368-V382 HydrophobicContact CD2-CB 4.43Å; L368-V382 HydrophobicContact CD2-CG2 4.18Å
369	A	95.3	Very high	95.5	Very high	34 Å²	34	48.5 Å²	48.5	28%	0.281	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29	-176.6	0	0	0	0	0	113.7	R299 R365 E366 S367	R299-A369 PolarHBondContact NH1-O 3.3Å; R365-A369 PolarHBondContact O-N 3.38Å; E366-A369 WeakPolarHBondContact O-CB 3.32Å; E366-A369 PolarHBondContact O-N 2.7Å; S367-A369 VanDerWaalsContact C-N 3.3Å
370	F	96.1	Very high	95.9	Very high	10 Å²	10	46 Å²	46	4%	0.044	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.5	177.3	-53.9	-24.1	0	0	0	113.5	L368 G372 I373 V379 F381 L442 I447 H449 I467 D469	L368-F370 PolarHBondContact O-N 3.33Å; L368-F370 VanDerWaalsContact O-N 3.11Å; F370-G372 PolarHBondContact O-N 3.06Å; F370-I373 HydrophobicContact CB-CD1 4.39Å; F370-I373 WeakPolarHBondContact O-CG1 3.12Å; F370-V379 HydrophobicContact CD2-CG1 3.77Å; F370-V379 HydrophobicContact CE2-CG1 4.12Å; F370-V379 HydrophobicContact CG-CG1 4.4Å; F370-F381 HydrophobicContact CB-CD1 4.08Å; F370-F381 HydrophobicContact CB-CE1 3.95Å; F370-L442 HydrophobicContact CD1-CD2 3.75Å; F370-L442 HydrophobicContact CE1-CD1 3.96Å; F370-L442 HydrophobicContact CE1-CD2 3.8Å; F370-L442 HydrophobicContact CG-CD2 4.15Å; F370-L442 HydrophobicContact CZ-CD1 3.87Å; F370-L442 HydrophobicContact CZ-CD2 4.2Å; F370-I447 HydrophobicContact CD1-CD1 3.98Å; F370-I447 HydrophobicContact CD1-CG2 4.29Å; F370-I447 HydrophobicContact CE1-CG2 4.06Å; F370-H449 AromaticContact CZ-CD2 3.76Å; F370-H449 AromaticContact CZ-NE2 3.92Å; F370-I467 HydrophobicContact CE2-CG2 4.39Å; F370-I467 HydrophobicContact CZ-CG2 4.33Å; F370-D469 HydrophobicContact CE2-CB 4.28Å
371	H	95.7	Very high	96.1	Very high	47 Å²	47	46.2 Å²	46.2	22%	0.218	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	139.9	179.1	-175.9	75.3	0	0	0	111	R299 V301 L368 I373	R299-H371 PolarHBondContact NH1-O 3.14Å; R299-H371 PolarHBondContact NH2-O 3.48Å; V301-H371 HydrophobicContact CG1-CB 4.33Å; L368-H371 HydrophobicContact CB-CB 4.35Å; L368-H371 WeakPolarHBondContact O-CB 3.38Å; L368-H371 PolarHBondContact O-N 2.78Å; H371-I373 PolarHBondContact O-N 2.83Å
372	G	94.1	Very high	96.4	Very high	66 Å²	66	44 Å²	44	68%	0.68	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-0.9	174.4	0	0	0	0	0	117.1	F370	F370-G372 PolarHBondContact O-N 3.06Å
373	I	95.9	Very high	96.6	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.097	24%	0.237	C	C	.	.	S	Bend	trans	-91	158.7	166	76.7	-178.8	0	0	0	109.8	F370 H371 F381 L442 N445 I447	F370-I373 HydrophobicContact CB-CD1 4.39Å; F370-I373 WeakPolarHBondContact O-CG1 3.12Å; H371-I373 PolarHBondContact O-N 2.83Å; I373-F381 HydrophobicContact CD1-CE1 3.97Å; I373-F381 HydrophobicContact CD1-CZ 4.15Å; I373-F381 HydrophobicContact CG1-CE1 3.58Å; I373-F381 HydrophobicContact CG1-CZ 3.98Å; I373-L442 HydrophobicContact CD1-CD2 3.72Å; I373-N445 HydrophobicContact CB-CB 3.99Å; I373-N445 HydrophobicContact CD1-CB 4.36Å; I373-N445 HydrophobicContact CG2-CB 3.81Å; I373-I447 HydrophobicContact CD1-CD1 3.87Å; I373-I447 HydrophobicContact CG2-CD1 3.85Å
374	P	97.7	Very high	96.6	Very high	78 Å²	78	40.2 Å²	40.2	51%	0.506	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-60.5	145	179	-22.4	34	0	0	0	112.7	F381 H441 N445	P374-F381 WeakPolarHBondContact O-CZ 3.35Å; P374-H441 PolarHBondContact O-CE1 3.5Å; P374-H441 PolarHBondContact O-NE2 2.92Å; P374-N445 WeakPolarHBondContact CD-OD1 3.37Å
375	C	97.4	Very high	96.6	Very high	116 Å²	116	39.5 Å²	39.5	78%	0.784	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-60.3	147.4	175.6	-61.2	0	0	0	0	111.7
376	H	98	Very high	96.5	Very high	45 Å²	45	32.7 Å²	32.7	21%	0.208	21%	0.209	C	C	.	.			trans	-148.2	138.5	179.9	-175.1	-88.3	0	0	0	110.6	N378 V379 H441	H376-N378 PolarHBondContact ND1-N 3.43Å; H376-N378 VanDerWaalsContact ND1-N 3.11Å; H376-N378 PolarHBondContact O-N 3.15Å; H376-N378 VanDerWaalsContact O-N 3.17Å; H376-V379 HydrophobicContact CB-CB 4.31Å; H376-V379 HydrophobicContact CB-CG2 4.26Å; H376-V379 PolarHBondContact O-N 2.93Å; H376-V379 VanDerWaalsContact O-N 3.11Å; H376-H441 HydrophobicContact CB-CB 4.36Å; H376-H441 VanDerWaalsContact CB-CD2 3.45Å; H376-H441 WeakPolarHBondContact CB-CD2 3.48Å; H376-H441 AromaticContact CD2-CG 3.68Å; H376-H441 AromaticContact CD2-ND1 3.68Å; H376-H441 AromaticContact CG-CD2 3.91Å; H376-H441 AromaticContact CG-CG 3.64Å; H376-H441 AromaticContact CG-ND1 3.99Å
377	P	97.2	Very high	96.1	Very high	89 Å²	89	35.1 Å²	35.1	58%	0.578	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.9	-174.1	22.2	-34.6	0	0	0	114.2	Q466	P377-Q466 WeakPolarHBondContact O-CG 3.43Å; P377-Q466 PolarHBondContact O-NE2 3.33Å
378	N	98.6	Very high	95.2	Very high	8 Å²	8	38 Å²	38	4%	0.043	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	19.7	179.2	-52.8	112.9	0	0	0	114.4	H376 H434 V465 Q466 I467	H376-N378 PolarHBondContact ND1-N 3.43Å; H376-N378 VanDerWaalsContact ND1-N 3.11Å; H376-N378 PolarHBondContact O-N 3.15Å; H376-N378 VanDerWaalsContact O-N 3.17Å; N378-H434 WeakPolarHBondContact CB-O 3.38Å; N378-H434 VanDerWaalsContact ND2-CB 3.31Å; N378-H434 WeakPolarHBondContact ND2-CB 3.35Å; N378-H434 PolarHBondContact ND2-CD2 2.85Å; N378-V465 WeakPolarHBondContact CA-O 3.21Å; N378-V465 WeakPolarHBondContact CB-O 3.45Å; N378-V465 PolarHBondContact ND2-O 3.16Å; N378-Q466 WeakPolarHBondContact O-CA 3.2Å; N378-I467 PolarHBondContact O-N 2.84Å
379	V	98.5	Very high	94.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-130.6	130.5	170.8	-178.9	0	0	0	0	108.1	F370 H376 F381 L442	F370-V379 HydrophobicContact CD2-CG1 3.77Å; F370-V379 HydrophobicContact CE2-CG1 4.12Å; F370-V379 HydrophobicContact CG-CG1 4.4Å; H376-V379 HydrophobicContact CB-CB 4.31Å; H376-V379 HydrophobicContact CB-CG2 4.26Å; H376-V379 PolarHBondContact O-N 2.93Å; H376-V379 VanDerWaalsContact O-N 3.11Å; V379-F381 HydrophobicContact CB-CE2 3.66Å; V379-F381 HydrophobicContact CB-CZ 3.88Å; V379-F381 HydrophobicContact CG1-CD2 4.36Å; V379-F381 HydrophobicContact CG1-CE1 4.16Å; V379-F381 HydrophobicContact CG1-CE2 3.68Å; V379-F381 HydrophobicContact CG1-CZ 3.58Å; V379-F381 WeakPolarHBondContact O-CD2 3.05Å; V379-F381 VanDerWaalsContact O-CE2 3.23Å; V379-F381 WeakPolarHBondContact O-CE2 3.5Å; V379-L442 HydrophobicContact CG1-CD2 4.06Å; V379-L442 HydrophobicContact CG2-CD2 4.34Å; V379-L442 HydrophobicContact CG2-CG 4.29Å
380	S	98	Very high	92.9	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.028	29%	0.289	C	S	.	.			trans	-89.5	135.8	178	-166.7	0	0	0	0	110.1	Y397 I467	S380-Y397 WeakPolarHBondContact OG-CD1 3.43Å; S380-I467 PolarHBondContact N-O 2.98Å
381	F	97.6	Very high	91.9	Very high	33 Å²	33	50.1 Å²	50.1	15%	0.145	32%	0.319	C	S	.	.			trans	-124.3	146	-176.2	-65.2	-88.7	0	0	0	110.2	F370 I373 P374 V379 V383 Y397	F370-F381 HydrophobicContact CB-CD1 4.08Å; F370-F381 HydrophobicContact CB-CE1 3.95Å; I373-F381 HydrophobicContact CD1-CE1 3.97Å; I373-F381 HydrophobicContact CD1-CZ 4.15Å; I373-F381 HydrophobicContact CG1-CE1 3.58Å; I373-F381 HydrophobicContact CG1-CZ 3.98Å; P374-F381 WeakPolarHBondContact O-CZ 3.35Å; V379-F381 HydrophobicContact CB-CE2 3.66Å; V379-F381 HydrophobicContact CB-CZ 3.88Å; V379-F381 HydrophobicContact CG1-CD2 4.36Å; V379-F381 HydrophobicContact CG1-CE1 4.16Å; V379-F381 HydrophobicContact CG1-CE2 3.68Å; V379-F381 HydrophobicContact CG1-CZ 3.58Å; V379-F381 WeakPolarHBondContact O-CD2 3.05Å; V379-F381 VanDerWaalsContact O-CE2 3.23Å; V379-F381 WeakPolarHBondContact O-CE2 3.5Å; F381-V383 PolarHBondContact O-N 2.95Å; F381-Y397 VanDerWaalsContact C-CD1 3.49Å; F381-Y397 WeakPolarHBondContact O-CD1 3.29Å
382	V	97.6	Very high	91.5	Very high	19 Å²	19	48.7 Å²	48.7	12%	0.115	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	120.2	165.7	-175.9	0	0	0	0	108	L310 L368 A384 L395 C396 Y397	L310-V382 HydrophobicContact CD1-CB 4.13Å; L310-V382 HydrophobicContact CD1-CG1 3.8Å; L310-V382 HydrophobicContact CD2-CG1 4.29Å; L310-V382 VanDerWaalsContact CD2-O 3.31Å; L310-V382 WeakPolarHBondContact CD2-O 3.43Å; L368-V382 HydrophobicContact CD2-CB 4.43Å; L368-V382 HydrophobicContact CD2-CG2 4.18Å; V382-A384 WeakPolarHBondContact CG1-O 3.36Å; V382-L395 HydrophobicContact CG1-CB 4.04Å; V382-L395 HydrophobicContact CG1-CD2 4.24Å; V382-L395 HydrophobicContact CG2-CB 4.23Å; V382-L395 HydrophobicContact CG2-CD1 4.33Å; V382-C396 CarbonylContact C-O 3.53Å; V382-C396 WeakPolarHBondContact CA-O 3.35Å; V382-Y397 HydrophobicContact CG2-CE1 3.72Å; V382-Y397 HydrophobicContact CG2-CE2 4.16Å; V382-Y397 VanDerWaalsContact CG2-CZ 3.45Å; V382-Y397 WeakPolarHBondContact CG2-OH 3.28Å
383	V	95.7	Very high	91.5	Very high	58 Å²	58	46 Å²	46	35%	0.352	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-22.7	179.5	-64.5	0	0	0	0	113.2	L336 F381 C396 V398	L336-V383 HydrophobicContact CD2-CG2 4.13Å; F381-V383 PolarHBondContact O-N 2.95Å; V383-C396 HydrophobicContact CG2-CB 4.29Å; V383-C396 WeakPolarHBondContact CG2-O 3.46Å; V383-C396 PolarHBondContact N-O 3.29Å; V383-V398 HydrophobicContact CB-CG2 4.31Å; V383-V398 HydrophobicContact CG1-CG2 3.89Å; V383-V398 HydrophobicContact CG2-CG2 3.78Å
384	A	96.1	Very high	91.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	151.6	180	0	0	0	0	0	109.6	L310 V312 L336 V382 C396	L310-A384 CarbonylContact O-C 3.56Å; L310-A384 WeakPolarHBondContact O-CA 3.38Å; V312-A384 HydrophobicContact CG1-CB 3.99Å; V312-A384 HydrophobicContact CG2-CB 3.78Å; L336-A384 HydrophobicContact CD1-CB 4.4Å; L336-A384 HydrophobicContact CD2-CB 4.04Å; V382-A384 WeakPolarHBondContact CG1-O 3.36Å; A384-C396 HydrophobicContact CB-CB 4.02Å; A384-C396 PolarHBondContact O-N 3.26Å
385	A	95.9	Very high	91.5	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.1	174.9	0	0	0	0	0	109.2	L307 L310 T311 V312 L394 L395	L307-A385 HydrophobicContact CD2-CB 3.89Å; L310-A385 HydrophobicContact CB-CB 3.89Å; L310-A385 PolarHBondContact O-N 3.34Å; T311-A385 VanDerWaalsContact CA-O 3.25Å; T311-A385 WeakPolarHBondContact CA-O 3.47Å; V312-A385 PolarHBondContact N-O 2.8Å; A385-L394 WeakPolarHBondContact CA-O 3.49Å; A385-L395 HydrophobicContact CB-CD2 3.6Å
386	F	92.1	Very high	91.5	Very high	19 Å²	19	36 Å²	36	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	169.5	168.4	70.7	-77.8	0	0	0	110.2	I317 L319 V388 L394	I317-F386 HydrophobicContact CB-CE1 4.2Å; I317-F386 HydrophobicContact CB-CZ 4.39Å; I317-F386 HydrophobicContact CD1-CD1 3.27Å; I317-F386 HydrophobicContact CD1-CE1 3.31Å; I317-F386 HydrophobicContact CD1-CG 4.18Å; I317-F386 HydrophobicContact CD1-CZ 4.26Å; I317-F386 HydrophobicContact CG1-CE1 4.33Å; I317-F386 HydrophobicContact CG2-CE1 3.87Å; I317-F386 HydrophobicContact CG2-CZ 4.03Å; L319-F386 HydrophobicContact CD1-CZ 4.12Å; L319-F386 HydrophobicContact CD2-CZ 4.13Å; L319-F386 HydrophobicContact CG-CZ 4.31Å; F386-V388 HydrophobicContact CD2-CG2 4.49Å; F386-V388 HydrophobicContact CE2-CG2 3.8Å; F386-V388 HydrophobicContact CZ-CG2 4.13Å; F386-L394 HydrophobicContact CD1-CB 4.29Å; F386-L394 HydrophobicContact CD1-CD2 4.03Å; F386-L394 HydrophobicContact CE1-CB 3.97Å; F386-L394 HydrophobicContact CE1-CD1 3.94Å; F386-L394 HydrophobicContact CE1-CD2 3.36Å; F386-L394 HydrophobicContact CE1-CG 3.92Å; F386-L394 HydrophobicContact CZ-CB 4.19Å; F386-L394 HydrophobicContact CZ-CD1 3.74Å; F386-L394 HydrophobicContact CZ-CD2 4.07Å; F386-L394 HydrophobicContact CZ-CG 4.2Å; F386-L394 PolarHBondContact N-O 3.13Å; F386-L394 PolarHBondContact O-N 3.18Å
387	C	86.3	Confident	91.5	Very high	80 Å²	80	34 Å²	34	54%	0.541	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.9	174.2	-73.3	0	0	0	0	109.5	E389 L392	C387-E389 VanDerWaalsContact C-N 3.32Å; C387-E389 WeakPolarHBondContact CB-O 3.46Å; C387-L392 WeakPolarHBondContact CA-O 3.16Å
388	V	79	Confident	91.4	Very high	65 Å²	65	32.3 Å²	32.3	39%	0.394	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-38.9	174.9	-179.2	0	0	0	0	110.1	F386 L392 L394	F386-V388 HydrophobicContact CD2-CG2 4.49Å; F386-V388 HydrophobicContact CE2-CG2 3.8Å; F386-V388 HydrophobicContact CZ-CG2 4.13Å; V388-L392 HydrophobicContact CB-CD2 4.47Å; V388-L392 PolarHBondContact N-O 3.16Å; V388-L394 HydrophobicContact CG2-CB 3.61Å; V388-L394 HydrophobicContact CG2-CD1 3.64Å; V388-L394 HydrophobicContact CG2-CG 4.29Å
389	E	74.5	Confident	91.3	Very high	71 Å²	71	32.5 Å²	32.5	33%	0.332	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	162.7	170.9	-65.3	-174.3	170.4	0	0	107.3	K353 C387 S391 L392	K353-E389 WeakPolarHBondContact CE-OE1 3.42Å; K353-E389 IonicContact NZ-OE1 3.69Å; K353-E389 PolarHBondContact NZ-OE1 3.41Å; K353-E389 IonicContact NZ-OE2 3.22Å; C387-E389 VanDerWaalsContact C-N 3.32Å; C387-E389 WeakPolarHBondContact CB-O 3.46Å; E389-S391 PolarHBondContact O-N 3.4Å; E389-L392 HydrophobicContact CB-CB 4.18Å; E389-L392 PolarHBondContact O-N 3.24Å
390	P	69.6	Low	91.1	Very high	136 Å²	136	39.6 Å²	39.6	88%	0.883	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-21.3	-171.3	-29.7	35.3	0	0	0	116.2
391	S	73.7	Confident	90.8	Very high	94 Å²	94	41.1 Å²	41.1	66%	0.657	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.2	8.5	-179.6	62.3	0	0	0	0	114.8	E389 P393	E389-S391 PolarHBondContact O-N 3.4Å; S391-P393 WeakPolarHBondContact O-CD 3.3Å
392	L	88.2	Confident	90.7	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	96.5	-172.8	-160.8	68.3	0	0	0	111.5	L351 C387 V388 E389	L351-L392 HydrophobicContact CB-CD1 3.65Å; L351-L392 WeakPolarHBondContact O-CD1 3.49Å; L351-L392 VanDerWaalsContact O-CD2 3.3Å; L351-L392 WeakPolarHBondContact O-CD2 3.28Å; C387-L392 WeakPolarHBondContact CA-O 3.16Å; V388-L392 HydrophobicContact CB-CD2 4.47Å; V388-L392 PolarHBondContact N-O 3.16Å; E389-L392 HydrophobicContact CB-CB 4.18Å; E389-L392 PolarHBondContact O-N 3.24Å
393	P	93.4	Very high	90.6	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.071	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.5	-179.5	30	-33.7	0	0	0	111	T350 V360 F363 L364 S391	T350-P393 PolarHBondContact OG1-O 2.96Å; V360-P393 HydrophobicContact CG1-CG 4.01Å; F363-P393 HydrophobicContact CD1-CG 4.14Å; F363-P393 HydrophobicContact CE1-CG 4.13Å; L364-P393 HydrophobicContact CD2-CB 3.94Å; L364-P393 HydrophobicContact CD2-CG 3.99Å; L364-P393 HydrophobicContact CG-CG 4.33Å; S391-P393 WeakPolarHBondContact O-CD 3.3Å
394	L	95.8	Very high	90.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.2	167.4	-174	161.1	0	0	0	109.2	L319 V332 K349 T350 A385 F386 V388 C396	L319-L394 HydrophobicContact CD1-CD1 3.74Å; L319-L394 HydrophobicContact CD2-CD1 3.72Å; L319-L394 HydrophobicContact CG-CD1 4.39Å; V332-L394 HydrophobicContact CG2-CD1 4.2Å; K349-L394 CarbonylContact O-C 3.54Å; K349-L394 VanDerWaalsContact O-CA 3.3Å; K349-L394 WeakPolarHBondContact O-CA 3.46Å; T350-L394 HydrophobicContact CG2-CD1 4.42Å; A385-L394 WeakPolarHBondContact CA-O 3.49Å; F386-L394 HydrophobicContact CD1-CB 4.29Å; F386-L394 HydrophobicContact CD1-CD2 4.03Å; F386-L394 HydrophobicContact CE1-CB 3.97Å; F386-L394 HydrophobicContact CE1-CD1 3.94Å; F386-L394 HydrophobicContact CE1-CD2 3.36Å; F386-L394 HydrophobicContact CE1-CG 3.92Å; F386-L394 HydrophobicContact CZ-CB 4.19Å; F386-L394 HydrophobicContact CZ-CD1 3.74Å; F386-L394 HydrophobicContact CZ-CD2 4.07Å; F386-L394 HydrophobicContact CZ-CG 4.2Å; F386-L394 PolarHBondContact N-O 3.13Å; F386-L394 PolarHBondContact O-N 3.18Å; V388-L394 HydrophobicContact CG2-CB 3.61Å; V388-L394 HydrophobicContact CG2-CD1 3.64Å; V388-L394 HydrophobicContact CG2-CG 4.29Å; L394-C396 WeakPolarHBondContact CD2-SG 3.44Å
395	L	97.8	Very high	90.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.2	-178.8	-56.1	-179.3	0	0	0	109.9	L307 G348 K349 F363 L364 V382 A385 Y397	L307-L395 HydrophobicContact CD2-CD2 4.01Å; G348-L395 WeakPolarHBondContact CA-O 3.36Å; K349-L395 PolarHBondContact N-O 3.36Å; K349-L395 PolarHBondContact O-N 3.3Å; F363-L395 HydrophobicContact CE1-CD1 4.04Å; F363-L395 HydrophobicContact CE1-CG 4.14Å; F363-L395 HydrophobicContact CZ-CB 4.46Å; F363-L395 HydrophobicContact CZ-CD1 3.85Å; F363-L395 HydrophobicContact CZ-CG 4.03Å; L364-L395 HydrophobicContact CD2-CD1 4.26Å; L364-L395 HydrophobicContact CD2-CD2 4.42Å; V382-L395 HydrophobicContact CG1-CB 4.04Å; V382-L395 HydrophobicContact CG1-CD2 4.24Å; V382-L395 HydrophobicContact CG2-CB 4.23Å; V382-L395 HydrophobicContact CG2-CD1 4.33Å; A385-L395 HydrophobicContact CB-CD2 3.6Å; L395-Y397 HydrophobicContact CB-CE2 4.19Å
396	C	97.5	Very high	90.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.3	-174	-56.7	0	0	0	0	111.6	I346 L347 V382 V383 A384 L394	I346-C396 HydrophobicContact CB-CB 4.49Å; I346-C396 HydrophobicContact CD1-CB 3.79Å; I346-C396 VanDerWaalsContact CD1-SG 3.51Å; L347-C396 CarbonylContact O-C 3.6Å; L347-C396 WeakPolarHBondContact O-CA 3.24Å; V382-C396 CarbonylContact C-O 3.53Å; V382-C396 WeakPolarHBondContact CA-O 3.35Å; V383-C396 HydrophobicContact CG2-CB 4.29Å; V383-C396 WeakPolarHBondContact CG2-O 3.46Å; V383-C396 PolarHBondContact N-O 3.29Å; A384-C396 HydrophobicContact CB-CB 4.02Å; A384-C396 PolarHBondContact O-N 3.26Å; L394-C396 WeakPolarHBondContact CD2-SG 3.44Å
397	Y	97.8	Very high	90.9	Very high	3 Å²	3	43 Å²	43	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.1	175.2	-60.3	-99.8	0	0	0	108.4	I346 L347 K349 S380 F381 V382 L395 H399 D469	I346-Y397 CarbonylContact C-O 3.49Å; I346-Y397 WeakPolarHBondContact CA-O 3.18Å; I346-Y397 WeakPolarHBondContact CB-O 3.4Å; L347-Y397 PolarHBondContact N-O 2.82Å; L347-Y397 PolarHBondContact O-N 3.05Å; K349-Y397 HydrophobicContact CB-CE2 4.26Å; K349-Y397 HydrophobicContact CD-CD2 4.49Å; K349-Y397 HydrophobicContact CD-CE2 3.67Å; K349-Y397 HydrophobicContact CG-CD2 4.1Å; K349-Y397 HydrophobicContact CG-CE2 3.6Å; S380-Y397 WeakPolarHBondContact OG-CD1 3.43Å; F381-Y397 VanDerWaalsContact C-CD1 3.49Å; F381-Y397 WeakPolarHBondContact O-CD1 3.29Å; V382-Y397 HydrophobicContact CG2-CE1 3.72Å; V382-Y397 HydrophobicContact CG2-CE2 4.16Å; V382-Y397 VanDerWaalsContact CG2-CZ 3.45Å; V382-Y397 WeakPolarHBondContact CG2-OH 3.28Å; L395-Y397 HydrophobicContact CB-CE2 4.19Å; Y397-H399 PolarHBondContact O-N 2.96Å; Y397-D469 VanDerWaalsContact CE1-OD2 3.32Å; Y397-D469 WeakPolarHBondContact CE1-OD2 3.41Å; Y397-D469 PolarHBondContact OH-OD2 3.48Å
398	V	95.7	Very high	91.3	Very high	54 Å²	54	39.3 Å²	39.3	33%	0.327	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	120.6	172.3	177.5	0	0	0	0	108	V344 V383	V344-V398 HydrophobicContact CG2-CG2 4.2Å; V383-V398 HydrophobicContact CB-CG2 4.31Å; V383-V398 HydrophobicContact CG1-CG2 3.89Å; V383-V398 HydrophobicContact CG2-CG2 3.78Å
399	H	96.5	Very high	92	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.06	20%	0.2	C	C	.	.			trans	-157.4	130.2	180	178	77.3	0	0	0	110.4	D345 L347 Y397 G403 L458 V459	D345-H399 CarbonylContact C-O 3.54Å; D345-H399 WeakPolarHBondContact CB-O 3.34Å; D345-H399 PolarHBondContact O-N 3.08Å; D345-H399 VanDerWaalsContact O-N 3.09Å; L347-H399 HydrophobicContact CD1-CB 3.72Å; L347-H399 HydrophobicContact CG-CB 3.85Å; Y397-H399 PolarHBondContact O-N 2.96Å; H399-G403 VanDerWaalsContact NE2-CA 3.32Å; H399-G403 WeakPolarHBondContact NE2-CA 3.45Å; H399-G403 PolarHBondContact NE2-N 3.44Å; H399-G403 VanDerWaalsContact NE2-N 3.18Å; H399-L458 HydrophobicContact CB-CD1 4.39Å; H399-V459 PolarHBondContact CE1-O 3.48Å; H399-V459 VanDerWaalsContact CE1-O 3.24Å
400	R	93.6	Very high	92.9	Very high	151 Å²	151	34.8 Å²	34.8	57%	0.57	19%	0.194	S	C	*	.			trans	-133.3	124.9	175.2	-176.2	177.2	166.4	175.3	-15.2	109.4	D345 G460 E461	D345-R400 HydrophobicContact CB-CB 4.24Å; D345-R400 WeakPolarHBondContact OD2-CD 3.28Å; D345-R400 IonicContact OD2-NE 2.82Å; R400-G460 WeakPolarHBondContact O-CA 3.2Å; R400-E461 HydrophobicContact CG-CG 4.29Å; R400-E461 WeakPolarHBondContact CG-OE1 3.44Å; R400-E461 IonicContact CZ-OE1 3.66Å; R400-E461 IonicContact CZ-OE2 3.63Å; R400-E461 IonicContact NE-OE1 3.78Å; R400-E461 PolarHBondContact NE-OE1 2.65Å; R400-E461 IonicContact NE-OE2 3.86Å; R400-E461 PolarHBondContact NE-OE2 2.69Å; R400-E461 IonicContact NH2-OE1 2.78Å; R400-E461 PolarHBondContact NH2-OE1 3.45Å; R400-E461 IonicContact NH2-OE2 3.42Å; R400-E461 PolarHBondContact NH2-OE2 3.47Å; R400-E461 PolarHBondContact O-N 3.1Å
401	G	93.1	Very high	93.8	Very high	35 Å²	35	31.9 Å²	31.9	36%	0.361	17%	0.168	S	C	.	.	S	Bend	trans	132.1	-148.2	179.5	0	0	0	0	0	112.8	G403	G401-G403 VanDerWaalsContact C-N 3.31Å; G401-G403 PolarHBondContact O-N 3.2Å
402	F	93.9	Very high	94.5	Very high	70 Å²	70	28.2 Å²	28.2	31%	0.307	14%	0.142	S	C	.	.	S	Bend	trans	-76.7	-12.9	-164.9	-44.5	-81.1	0	0	0	115.2	F408 H421 V459 G460 F463	F402-F408 HydrophobicContact CB-CB 4.26Å; F402-F408 HydrophobicContact CB-CD2 3.43Å; F402-F408 VanDerWaalsContact CB-CD2 3.43Å; F402-F408 HydrophobicContact CB-CE2 4.01Å; F402-F408 HydrophobicContact CB-CG 3.96Å; F402-F408 AromaticContact CD1-CD2 3.93Å; F402-F408 HydrophobicContact CD1-CD2 3.93Å; F402-F408 AromaticContact CD1-CE2 3.72Å; F402-F408 HydrophobicContact CD1-CE2 3.72Å; F402-F408 HydrophobicContact CD2-CD2 4.15Å; F402-F408 AromaticContact CD2-CE2 3.89Å; F402-F408 HydrophobicContact CD2-CE2 3.89Å; F402-F408 HydrophobicContact CD2-CZ 4.3Å; F402-F408 HydrophobicContact CE1-CE2 4.14Å; F402-F408 HydrophobicContact CE2-CE2 4.29Å; F402-F408 AromaticContact CG-CD2 3.57Å; F402-F408 HydrophobicContact CG-CD2 3.57Å; F402-F408 AromaticContact CG-CE2 3.58Å; F402-F408 HydrophobicContact CG-CE2 3.58Å; F402-F408 HydrophobicContact CG-CG 4.38Å; F402-F408 HydrophobicContact CG-CZ 4.43Å; F402-F408 HydrophobicContact CZ-CE2 4.41Å; F402-H421 AromaticContact CE1-CD2 3.93Å; F402-H421 AromaticContact CE1-CE1 3.88Å; F402-H421 AromaticContact CE1-NE2 3.33Å; F402-H421 VanDerWaalsContact CE1-NE2 3.33Å; F402-H421 WeakPolarHBondContact CE1-NE2 3.42Å; F402-H421 AromaticContact CZ-NE2 3.94Å; F402-V459 HydrophobicContact CB-CG1 4Å; F402-V459 HydrophobicContact CD2-CG1 4.38Å; F402-V459 PolarHBondContact N-O 2.96Å; F402-G460 VanDerWaalsContact CD2-O 3.22Å; F402-G460 WeakPolarHBondContact CD2-O 3.47Å; F402-G460 WeakPolarHBondContact CE2-O 3.43Å; F402-F463 HydrophobicContact CD2-CD1 4.42Å; F402-F463 HydrophobicContact CD2-CE1 4.34Å; F402-F463 AromaticContact CE2-CD1 3.95Å; F402-F463 HydrophobicContact CE2-CD1 3.95Å; F402-F463 AromaticContact CE2-CE1 3.68Å; F402-F463 HydrophobicContact CE2-CE1 3.68Å; F402-F463 HydrophobicContact CZ-CE1 4.18Å
403	G	95.6	Very high	94.3	Very high	10 Å²	10	29.2 Å²	29.2	10%	0.103	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.7	-131.8	172.5	0	0	0	0	0	111.6	H399 G401 L405 L458 V459	H399-G403 VanDerWaalsContact NE2-CA 3.32Å; H399-G403 WeakPolarHBondContact NE2-CA 3.45Å; H399-G403 PolarHBondContact NE2-N 3.44Å; H399-G403 VanDerWaalsContact NE2-N 3.18Å; G401-G403 VanDerWaalsContact C-N 3.31Å; G401-G403 PolarHBondContact O-N 3.2Å; G403-L405 PolarHBondContact O-N 3.46Å; G403-L458 CarbonylContact O-C 3.58Å; G403-L458 VanDerWaalsContact O-CA 3.24Å; G403-L458 WeakPolarHBondContact O-CA 3.3Å; G403-V459 PolarHBondContact N-O 2.88Å; G403-V459 VanDerWaalsContact N-O 3.16Å; G403-V459 PolarHBondContact O-N 2.9Å
404	N	97.4	Very high	93.2	Very high	21 Å²	21	30.7 Å²	30.7	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	124.2	-175.7	-177	-88	0	0	0	112	L324 K406 K407 F408 R455 F477	L324-N404 HydrophobicContact CD1-CB 4.46Å; L324-N404 HydrophobicContact CD2-CB 4.28Å; N404-K406 PolarHBondContact O-N 3.02Å; N404-K406 WeakPolarHBondContact OD1-CB 3.44Å; N404-K406 PolarHBondContact OD1-N 2.9Å; N404-K406 VanDerWaalsContact OD1-N 3.15Å; N404-K407 HydrophobicContact CB-CB 4.28Å; N404-K407 PolarHBondContact O-N 3.13Å; N404-K407 PolarHBondContact OD1-N 3.43Å; N404-K407 VanDerWaalsContact OD1-N 3.16Å; N404-F408 PolarHBondContact O-N 2.7Å; N404-R455 PolarHBondContact ND2-O 2.8Å; N404-F477 WeakPolarHBondContact OD1-CZ 3.42Å
405	L	97.7	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-40.4	-174.2	176.3	62.3	0	0	0	112.8	G403 K407 F408 L409 M431 I435 T454 C457 V459 V465 L521	G403-L405 PolarHBondContact O-N 3.46Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 PolarHBondContact O-N 3.33Å; L405-F408 HydrophobicContact CD1-CD1 4.22Å; L405-F408 PolarHBondContact O-N 3.29Å; L405-L409 HydrophobicContact CD1-CD1 4.12Å; L405-L409 HydrophobicContact CD1-CD2 4.39Å; L405-L409 HydrophobicContact CD1-CG 4Å; L405-L409 HydrophobicContact CG-CD1 4.01Å; L405-L409 HydrophobicContact CG-CG 4.36Å; L405-L409 VanDerWaalsContact O-CG 3.28Å; L405-L409 WeakPolarHBondContact O-CG 3.46Å; L405-L409 PolarHBondContact O-N 3.45Å; L405-M431 HydrophobicContact CD1-SD 4.09Å; L405-I435 HydrophobicContact CD2-CD1 4.13Å; L405-T454 HydrophobicContact CD2-CG2 4.2Å; L405-T454 HydrophobicContact CG-CG2 4.45Å; L405-C457 HydrophobicContact CB-CB 3.8Å; L405-C457 HydrophobicContact CD2-CB 3.62Å; L405-C457 HydrophobicContact CG-CB 4.37Å; L405-C457 PolarHBondContact N-O 2.94Å; L405-V459 HydrophobicContact CB-CG1 4.38Å; L405-V459 HydrophobicContact CD1-CB 4.02Å; L405-V459 HydrophobicContact CD1-CG1 3.98Å; L405-V459 HydrophobicContact CD1-CG2 4.45Å; L405-V465 HydrophobicContact CD2-CG1 3.97Å; L405-V465 HydrophobicContact CD2-CG2 4.41Å; L405-L521 HydrophobicContact CD1-CD2 4.5Å; L405-L521 HydrophobicContact CD2-CD2 4.04Å
406	K	96.9	Very high	89.7	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-46.7	176.4	-177.3	165.5	-179.7	157.5	0	111.5	N404 L409 H410 T454 R455 F477 D480 A525	N404-K406 PolarHBondContact O-N 3.02Å; N404-K406 WeakPolarHBondContact OD1-CB 3.44Å; N404-K406 PolarHBondContact OD1-N 2.9Å; N404-K406 VanDerWaalsContact OD1-N 3.15Å; K406-L409 PolarHBondContact O-N 2.91Å; K406-H410 PolarHBondContact O-N 3.02Å; K406-H410 VanDerWaalsContact O-N 3.13Å; K406-T454 WeakPolarHBondContact CB-OG1 3.39Å; K406-T454 PolarHBondContact N-O 2.85Å; K406-R455 HydrophobicContact CB-CB 4.33Å; K406-R455 HydrophobicContact CD-CB 3.97Å; K406-F477 HydrophobicContact CD-CD1 4.13Å; K406-F477 HydrophobicContact CD-CE1 4.17Å; K406-D480 IonicContact NZ-OD1 3.44Å; K406-D480 PolarHBondContact NZ-OD1 3.12Å; K406-D480 IonicContact NZ-OD2 2.69Å; K406-D480 PolarHBondContact NZ-OD2 3.32Å; K406-A525 HydrophobicContact CG-CB 4Å
407	K	94.6	Very high	87.7	Confident	68 Å²	68	43.5 Å²	43.5	30%	0.296	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-40.9	176.7	-78.8	-64.7	-169.8	178.9	0	112.6	L324 N404 L405 H410 Q411 E416	L324-K407 HydrophobicContact CD2-CG 4.3Å; N404-K407 HydrophobicContact CB-CB 4.28Å; N404-K407 PolarHBondContact O-N 3.13Å; N404-K407 PolarHBondContact OD1-N 3.43Å; N404-K407 VanDerWaalsContact OD1-N 3.16Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 PolarHBondContact O-N 3.33Å; K407-H410 PolarHBondContact O-N 2.92Å; K407-Q411 WeakPolarHBondContact O-CG 3.49Å; K407-Q411 PolarHBondContact O-N 2.77Å; K407-Q411 VanDerWaalsContact O-N 3.08Å; K407-E416 IonicContact NZ-OE1 3.46Å; K407-E416 PolarHBondContact NZ-OE1 2.93Å; K407-E416 IonicContact NZ-OE2 3.86Å; K407-E416 PolarHBondContact NZ-OE2 3.35Å
408	F	94.5	Very high	85.6	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-43.9	175.5	173.3	-105.8	0	0	0	112.4	F402 N404 L405 Q411 C412 H421 L423 M431 V459 F463	F402-F408 HydrophobicContact CB-CB 4.26Å; F402-F408 HydrophobicContact CB-CD2 3.43Å; F402-F408 VanDerWaalsContact CB-CD2 3.43Å; F402-F408 HydrophobicContact CB-CE2 4.01Å; F402-F408 HydrophobicContact CB-CG 3.96Å; F402-F408 AromaticContact CD1-CD2 3.93Å; F402-F408 HydrophobicContact CD1-CD2 3.93Å; F402-F408 AromaticContact CD1-CE2 3.72Å; F402-F408 HydrophobicContact CD1-CE2 3.72Å; F402-F408 HydrophobicContact CD2-CD2 4.15Å; F402-F408 AromaticContact CD2-CE2 3.89Å; F402-F408 HydrophobicContact CD2-CE2 3.89Å; F402-F408 HydrophobicContact CD2-CZ 4.3Å; F402-F408 HydrophobicContact CE1-CE2 4.14Å; F402-F408 HydrophobicContact CE2-CE2 4.29Å; F402-F408 AromaticContact CG-CD2 3.57Å; F402-F408 HydrophobicContact CG-CD2 3.57Å; F402-F408 AromaticContact CG-CE2 3.58Å; F402-F408 HydrophobicContact CG-CE2 3.58Å; F402-F408 HydrophobicContact CG-CG 4.38Å; F402-F408 HydrophobicContact CG-CZ 4.43Å; F402-F408 HydrophobicContact CZ-CE2 4.41Å; N404-F408 PolarHBondContact O-N 2.7Å; L405-F408 HydrophobicContact CD1-CD1 4.22Å; L405-F408 PolarHBondContact O-N 3.29Å; F408-Q411 WeakPolarHBondContact O-CB 3.41Å; F408-Q411 PolarHBondContact O-N 3.11Å; F408-C412 WeakPolarHBondContact CZ-SG 3.38Å; F408-C412 PolarHBondContact O-N 2.8Å; F408-C412 PolarHBondContact O-SG 2.9Å; F408-H421 HydrophobicContact CE2-CB 4.47Å; F408-H421 AromaticContact CE2-CD2 3.82Å; F408-H421 HydrophobicContact CZ-CB 4.26Å; F408-L423 HydrophobicContact CE1-CD1 3.94Å; F408-L423 HydrophobicContact CE1-CD2 4.07Å; F408-L423 HydrophobicContact CE1-CG 4.5Å; F408-L423 HydrophobicContact CZ-CD2 4.17Å; F408-M431 HydrophobicContact CE1-CE 4.03Å; F408-V459 HydrophobicContact CB-CG1 3.86Å; F408-V459 HydrophobicContact CD1-CG1 3.79Å; F408-V459 HydrophobicContact CG-CG1 3.82Å; F408-F463 HydrophobicContact CE1-CD1 4.16Å; F408-F463 AromaticContact CE1-CE1 3.87Å; F408-F463 HydrophobicContact CE1-CE1 3.87Å; F408-F463 HydrophobicContact CE2-CE1 4.29Å; F408-F463 HydrophobicContact CZ-CD1 4.08Å; F408-F463 AromaticContact CZ-CE1 3.37Å; F408-F463 HydrophobicContact CZ-CE1 3.37Å; F408-F463 HydrophobicContact CZ-CZ 4.17Å
409	L	94.7	Very high	83.6	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-41.4	177.7	-68.1	167.5	0	0	0	112.2	L405 K406 Q411 C412 S413 L423 L428 T454 L521 L524 A525	L405-L409 HydrophobicContact CD1-CD1 4.12Å; L405-L409 HydrophobicContact CD1-CD2 4.39Å; L405-L409 HydrophobicContact CD1-CG 4Å; L405-L409 HydrophobicContact CG-CD1 4.01Å; L405-L409 HydrophobicContact CG-CG 4.36Å; L405-L409 VanDerWaalsContact O-CG 3.28Å; L405-L409 WeakPolarHBondContact O-CG 3.46Å; L405-L409 PolarHBondContact O-N 3.45Å; K406-L409 PolarHBondContact O-N 2.91Å; L409-Q411 VanDerWaalsContact C-N 3.28Å; L409-Q411 PolarHBondContact O-N 3.44Å; L409-C412 PolarHBondContact O-N 3.45Å; L409-C412 VanDerWaalsContact O-N 3.15Å; L409-S413 PolarHBondContact O-N 2.87Å; L409-L423 HydrophobicContact CD2-CD1 3.74Å; L409-L428 HydrophobicContact CD2-CD2 4.22Å; L409-T454 HydrophobicContact CD1-CG2 3.83Å; L409-L521 HydrophobicContact CD1-CD2 4.11Å; L409-L521 HydrophobicContact CD2-CD2 4.48Å; L409-L524 HydrophobicContact CD2-CD2 4.11Å; L409-A525 HydrophobicContact CB-CB 3.67Å; L409-A525 HydrophobicContact CD1-CB 4.04Å
410	H	92	Very high	81.9	Confident	42 Å²	42	56.9 Å²	56.9	19%	0.194	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-33.6	173	-75.7	170.7	0	0	0	113.3	K406 K407 S413 A525	K406-H410 PolarHBondContact O-N 3.02Å; K406-H410 VanDerWaalsContact O-N 3.13Å; K407-H410 PolarHBondContact O-N 2.92Å; H410-S413 PolarHBondContact O-OG 2.89Å; H410-A525 VanDerWaalsContact CD2-CB 3.42Å; H410-A525 WeakPolarHBondContact CD2-CB 3.38Å; H410-A525 PolarHBondContact CD2-O 3.32Å; H410-A525 WeakPolarHBondContact NE2-CB 3.37Å; H410-A525 PolarHBondContact NE2-O 3.15Å
411	Q	90.2	Very high	80.7	Confident	74 Å²	74	53.8 Å²	53.8	35%	0.346	31%	0.309	S	S	.	.	H	α-helix	trans	-69.4	-39.2	173.9	-70	168.5	-1.7	0	0	111.2	K407 F408 L409 S413 F420	K407-Q411 WeakPolarHBondContact O-CG 3.49Å; K407-Q411 PolarHBondContact O-N 2.77Å; K407-Q411 VanDerWaalsContact O-N 3.08Å; F408-Q411 WeakPolarHBondContact O-CB 3.41Å; F408-Q411 PolarHBondContact O-N 3.11Å; L409-Q411 VanDerWaalsContact C-N 3.28Å; L409-Q411 PolarHBondContact O-N 3.44Å; Q411-S413 VanDerWaalsContact C-N 3.28Å; Q411-S413 PolarHBondContact O-N 3.42Å; Q411-F420 WeakPolarHBondContact O-CD1 3.31Å
412	C	88.6	Confident	80.1	Confident	17 Å²	17	57.6 Å²	57.6	12%	0.115	33%	0.331	C	S	.	.	H	α-helix	trans	-69.2	-23.2	177.6	-61.7	0	0	0	0	113.4	F408 L409 G414 L423	F408-C412 WeakPolarHBondContact CZ-SG 3.38Å; F408-C412 PolarHBondContact O-N 2.8Å; F408-C412 PolarHBondContact O-SG 2.9Å; L409-C412 PolarHBondContact O-N 3.45Å; L409-C412 VanDerWaalsContact O-N 3.15Å; C412-G414 VanDerWaalsContact C-N 3.32Å; C412-G414 PolarHBondContact O-N 3.35Å; C412-L423 HydrophobicContact CB-CD1 4Å; C412-L423 HydrophobicContact CB-CG 4.28Å
413	S	82.3	Confident	79.9	Confident	37 Å²	37	55.8 Å²	55.8	26%	0.259	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.8	-177.5	71.2	0	0	0	0	115.2	L409 H410 Q411 V415	L409-S413 PolarHBondContact O-N 2.87Å; H410-S413 PolarHBondContact O-OG 2.89Å; Q411-S413 VanDerWaalsContact C-N 3.28Å; Q411-S413 PolarHBondContact O-N 3.42Å; S413-V415 VanDerWaalsContact OG-CG2 3.3Å; S413-V415 WeakPolarHBondContact OG-CG2 3.23Å
414	G	70.7	Confident	79.7	Confident	42 Å²	42	57.6 Å²	57.6	43%	0.433	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.6	-11.9	-174.9	0	0	0	0	0	115.2	C412	C412-G414 VanDerWaalsContact C-N 3.32Å; C412-G414 PolarHBondContact O-N 3.35Å
415	V	63.4	Low	79.5	Confident	114 Å²	114	59.1 Å²	59.1	69%	0.691	35%	0.345	S	S	*	.	S	Bend	trans	-82.3	-36.5	-162.4	178.1	0	0	0	0	113.2	S413	S413-V415 VanDerWaalsContact OG-CG2 3.3Å; S413-V415 WeakPolarHBondContact OG-CG2 3.23Å
416	E	56.9	Low	79.3	Confident	107 Å²	107	61 Å²	61	50%	0.5	35%	0.354	S	S	.	.	S	Bend	trans	-116.6	-14.8	-170.4	-69.8	-169.4	167.8	0	0	116.2	K407	K407-E416 IonicContact NZ-OE1 3.46Å; K407-E416 PolarHBondContact NZ-OE1 2.93Å; K407-E416 IonicContact NZ-OE2 3.86Å; K407-E416 PolarHBondContact NZ-OE2 3.35Å
417	S	54.9	Low	79.1	Confident	50 Å²	50	62.8 Å²	62.8	35%	0.35	36%	0.364	S	S	.	.			trans	-148.1	163.1	-170.6	-171.9	0	0	0	0	113.7	F420	S417-F420 WeakPolarHBondContact O-CE1 3.43Å; S417-F420 WeakPolarHBondContact O-CZ 3.18Å
418	A	54.4	Low	79.2	Confident	89 Å²	89	60.2 Å²	60.2	74%	0.736	35%	0.353	S	S	*	.	S	Bend	trans	-95.9	-10.1	176.8	0	0	0	0	0	114.2
419	L	54.8	Low	79.4	Confident	145 Å²	145	60.1 Å²	60.1	76%	0.759	35%	0.353	S	S	*	.			trans	-95.7	101.9	176.3	-69.3	166.3	0	0	0	108.3
420	F	59.5	Low	79.5	Confident	117 Å²	117	62 Å²	62	51%	0.513	36%	0.363	S	S	.	.			trans	-101.2	125.3	-176.6	-58.1	-64.6	0	0	0	111.5	Q411 S417	Q411-F420 WeakPolarHBondContact O-CD1 3.31Å; S417-F420 WeakPolarHBondContact O-CE1 3.43Å; S417-F420 WeakPolarHBondContact O-CZ 3.18Å
421	H	68.7	Low	79.8	Confident	85 Å²	85	60 Å²	60	39%	0.394	35%	0.353	S	S	.	.			trans	-87.6	118.6	154.5	-65.8	-77.8	0	0	0	107.4	F402 F408 L423	F402-H421 AromaticContact CE1-CD2 3.93Å; F402-H421 AromaticContact CE1-CE1 3.88Å; F402-H421 AromaticContact CE1-NE2 3.33Å; F402-H421 VanDerWaalsContact CE1-NE2 3.33Å; F402-H421 WeakPolarHBondContact CE1-NE2 3.42Å; F402-H421 AromaticContact CZ-NE2 3.94Å; F408-H421 HydrophobicContact CE2-CB 4.47Å; F408-H421 AromaticContact CE2-CD2 3.82Å; F408-H421 HydrophobicContact CZ-CB 4.26Å; H421-L423 PolarHBondContact O-N 2.78Å
422	S	80	Confident	80.2	Confident	116 Å²	116	56.6 Å²	56.6	81%	0.811	34%	0.338	S	S	*	.			trans	-74.9	110.7	168.7	56.5	0	0	0	0	108.4
423	L	90.1	Very high	80.6	Confident	32 Å²	32	56 Å²	56	17%	0.168	33%	0.333	C	S	.	.			trans	-85.9	123.5	175.4	-64.3	176.3	0	0	0	109.8	F408 L409 C412 H421 D427 L428 M431 F463 L524	F408-L423 HydrophobicContact CE1-CD1 3.94Å; F408-L423 HydrophobicContact CE1-CD2 4.07Å; F408-L423 HydrophobicContact CE1-CG 4.5Å; F408-L423 HydrophobicContact CZ-CD2 4.17Å; L409-L423 HydrophobicContact CD2-CD1 3.74Å; C412-L423 HydrophobicContact CB-CD1 4Å; C412-L423 HydrophobicContact CB-CG 4.28Å; H421-L423 PolarHBondContact O-N 2.78Å; L423-D427 HydrophobicContact CD2-CB 4.21Å; L423-L428 HydrophobicContact CB-CD2 4.26Å; L423-L428 HydrophobicContact CB-CG 4.4Å; L423-L428 HydrophobicContact CD1-CD2 3.95Å; L423-M431 HydrophobicContact CD1-CE 4.29Å; L423-M431 HydrophobicContact CD2-CE 3.77Å; L423-F463 HydrophobicContact CD2-CD2 4.44Å; L423-F463 HydrophobicContact CD2-CE1 4Å; L423-F463 HydrophobicContact CD2-CE2 3.83Å; L423-F463 HydrophobicContact CD2-CZ 3.59Å; L423-L524 HydrophobicContact CD1-CD2 4.06Å
424	S	91.5	Very high	81.4	Confident	48 Å²	48	55.1 Å²	55.1	34%	0.336	33%	0.325	S	S	.	.			trans	-79.4	163.4	170.9	72.2	0	0	0	0	111	Q426 D427 L428	S424-Q426 PolarHBondContact O-N 3.34Å; S424-Q426 PolarHBondContact OG-N 2.78Å; S424-D427 WeakPolarHBondContact CB-OD2 3.2Å; S424-D427 PolarHBondContact N-OD2 3.08Å; S424-D427 PolarHBondContact O-N 2.77Å; S424-D427 VanDerWaalsContact O-N 3.14Å; S424-D427 PolarHBondContact OG-N 3.38Å; S424-D427 VanDerWaalsContact OG-N 3.13Å; S424-D427 PolarHBondContact OG-OD2 3.08Å; S424-L428 WeakPolarHBondContact O-CG 3.13Å; S424-L428 PolarHBondContact O-N 3.38Å; S424-L428 VanDerWaalsContact O-N 3.17Å
425	T	92.5	Very high	82.8	Confident	52 Å²	52	53.1 Å²	53.1	32%	0.319	30%	0.304	S	S	.	.	H	α-helix	trans	-57.6	-32.6	170.1	-50.1	0	0	0	0	111.8	L428 V429 P554 L589	T425-L428 PolarHBondContact O-N 3.27Å; T425-V429 HydrophobicContact CG2-CG2 4.39Å; T425-V429 VanDerWaalsContact O-CG2 3.23Å; T425-V429 WeakPolarHBondContact O-CG2 3.35Å; T425-V429 PolarHBondContact O-N 3.04Å; T425-P554 HydrophobicContact CG2-CG 4.01Å; T425-L589 HydrophobicContact CG2-CD1 4.02Å
426	Q	93.1	Very high	84.5	Confident	41 Å²	41	47.7 Å²	47.7	19%	0.192	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-43.6	176.2	-69.5	179.1	2.4	0	0	111.5	S424 L428 V429 L430 Y586 L589	S424-Q426 PolarHBondContact O-N 3.34Å; S424-Q426 PolarHBondContact OG-N 2.78Å; Q426-L428 VanDerWaalsContact C-N 3.33Å; Q426-L428 PolarHBondContact O-N 2.83Å; Q426-V429 PolarHBondContact O-N 3.23Å; Q426-L430 WeakPolarHBondContact O-CB 3.41Å; Q426-L430 PolarHBondContact O-N 3.05Å; Q426-Y586 HydrophobicContact CB-CE2 4.18Å; Q426-Y586 WeakPolarHBondContact O-CE2 3.37Å; Q426-L589 HydrophobicContact CG-CB 3.88Å; Q426-L589 HydrophobicContact CG-CD1 4.36Å; Q426-L589 PolarHBondContact NE2-O 2.81Å
427	D	94.7	Very high	86.5	Confident	41 Å²	41	46.4 Å²	46.4	22%	0.219	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-45	177.8	-58.3	-50.7	0	0	0	110.8	L423 S424 V429 L430 M431 F463	L423-D427 HydrophobicContact CD2-CB 4.21Å; S424-D427 WeakPolarHBondContact CB-OD2 3.2Å; S424-D427 PolarHBondContact N-OD2 3.08Å; S424-D427 PolarHBondContact O-N 2.77Å; S424-D427 VanDerWaalsContact O-N 3.14Å; S424-D427 PolarHBondContact OG-N 3.38Å; S424-D427 VanDerWaalsContact OG-N 3.13Å; S424-D427 PolarHBondContact OG-OD2 3.08Å; D427-V429 PolarHBondContact O-N 3.1Å; D427-L430 PolarHBondContact O-N 2.93Å; D427-M431 VanDerWaalsContact O-CG 3.29Å; D427-M431 WeakPolarHBondContact O-CG 3.38Å; D427-M431 PolarHBondContact O-N 3.34Å; D427-F463 HydrophobicContact CB-CD2 4.15Å; D427-F463 HydrophobicContact CB-CE2 4.38Å
428	L	96.6	Very high	88.5	Confident	14 Å²	14	44 Å²	44	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-40	179.4	-63.2	174.2	0	0	0	112.4	L409 L423 S424 T425 Q426 M431 A432 L521 L524	L409-L428 HydrophobicContact CD2-CD2 4.22Å; L423-L428 HydrophobicContact CB-CD2 4.26Å; L423-L428 HydrophobicContact CB-CG 4.4Å; L423-L428 HydrophobicContact CD1-CD2 3.95Å; S424-L428 WeakPolarHBondContact O-CG 3.13Å; S424-L428 PolarHBondContact O-N 3.38Å; S424-L428 VanDerWaalsContact O-N 3.17Å; T425-L428 PolarHBondContact O-N 3.27Å; Q426-L428 VanDerWaalsContact C-N 3.33Å; Q426-L428 PolarHBondContact O-N 2.83Å; L428-M431 HydrophobicContact CD2-SD 4.44Å; L428-M431 PolarHBondContact O-N 3.17Å; L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 3.45Å; L428-L521 HydrophobicContact CD2-CB 4.36Å; L428-L521 WeakPolarHBondContact CD2-O 3.49Å; L428-L524 HydrophobicContact CD2-CD2 4.4Å
429	V	97	Very high	90.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-35.1	175.7	175.2	0	0	0	0	111.2	T425 Q426 D427 A432 L433 L557 L582 F585 Y586 L589	T425-V429 HydrophobicContact CG2-CG2 4.39Å; T425-V429 VanDerWaalsContact O-CG2 3.23Å; T425-V429 WeakPolarHBondContact O-CG2 3.35Å; T425-V429 PolarHBondContact O-N 3.04Å; Q426-V429 PolarHBondContact O-N 3.23Å; D427-V429 PolarHBondContact O-N 3.1Å; V429-A432 WeakPolarHBondContact O-CB 3.49Å; V429-A432 PolarHBondContact O-N 3.29Å; V429-L433 WeakPolarHBondContact O-CG 3.43Å; V429-L433 PolarHBondContact O-N 3.23Å; V429-L557 HydrophobicContact CG2-CD2 4.11Å; V429-L582 HydrophobicContact CG1-CD2 4.49Å; V429-F585 HydrophobicContact CG1-CD1 4.07Å; V429-F585 HydrophobicContact CG2-CD1 3.79Å; V429-F585 HydrophobicContact CG2-CE1 3.64Å; V429-Y586 HydrophobicContact CB-CD2 4.16Å; V429-Y586 HydrophobicContact CG1-CD2 3.88Å; V429-Y586 HydrophobicContact CG1-CG 4.3Å; V429-L589 HydrophobicContact CB-CD1 4.37Å; V429-L589 HydrophobicContact CG2-CD1 3.87Å
430	L	96.9	Very high	92.7	Very high	40 Å²	40	33.7 Å²	33.7	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-42.7	174.2	-177	60.9	0	0	0	111.6	Q426 D427 A432 L433 H434 Y586	Q426-L430 WeakPolarHBondContact O-CB 3.41Å; Q426-L430 PolarHBondContact O-N 3.05Å; D427-L430 PolarHBondContact O-N 2.93Å; L430-A432 VanDerWaalsContact C-N 3.32Å; L430-A432 PolarHBondContact O-N 3.15Å; L430-L433 WeakPolarHBondContact O-CB 3.19Å; L430-L433 PolarHBondContact O-N 2.92Å; L430-H434 PolarHBondContact O-N 2.83Å; L430-H434 PolarHBondContact O-ND1 3.32Å; L430-Y586 HydrophobicContact CB-CE2 3.93Å
431	M	98.5	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-42.9	171.6	-68.9	177.4	-165.9	0	0	111.5	L405 F408 L423 D427 L428 L433 H434 I435 F463 V465 L521	L405-M431 HydrophobicContact CD1-SD 4.09Å; F408-M431 HydrophobicContact CE1-CE 4.03Å; L423-M431 HydrophobicContact CD1-CE 4.29Å; L423-M431 HydrophobicContact CD2-CE 3.77Å; D427-M431 VanDerWaalsContact O-CG 3.29Å; D427-M431 WeakPolarHBondContact O-CG 3.38Å; D427-M431 PolarHBondContact O-N 3.34Å; L428-M431 HydrophobicContact CD2-SD 4.44Å; L428-M431 PolarHBondContact O-N 3.17Å; M431-L433 VanDerWaalsContact C-N 3.35Å; M431-L433 PolarHBondContact O-N 3.05Å; M431-H434 WeakPolarHBondContact O-CB 3.05Å; M431-H434 PolarHBondContact O-N 3.24Å; M431-I435 WeakPolarHBondContact O-CG1 3.37Å; M431-I435 PolarHBondContact O-N 2.99Å; M431-F463 HydrophobicContact CE-CB 3.62Å; M431-F463 HydrophobicContact CE-CD1 3.55Å; M431-F463 HydrophobicContact CE-CD2 4.07Å; M431-F463 HydrophobicContact CE-CE1 4.25Å; M431-F463 HydrophobicContact CE-CG 3.47Å; M431-F463 VanDerWaalsContact CE-CG 3.47Å; M431-F463 HydrophobicContact CG-CB 4.3Å; M431-V465 HydrophobicContact CB-CG2 3.74Å; M431-V465 HydrophobicContact CG-CG2 3.65Å; M431-L521 HydrophobicContact CB-CD1 4.4Å; M431-L521 HydrophobicContact CB-CD2 4.11Å; M431-L521 HydrophobicContact SD-CD2 4.16Å
432	A	98.6	Very high	96	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-42	175	0	0	0	0	0	112.7	L428 V429 L430 I435 C436 L518 L521 L582	L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 3.45Å; V429-A432 WeakPolarHBondContact O-CB 3.49Å; V429-A432 PolarHBondContact O-N 3.29Å; L430-A432 VanDerWaalsContact C-N 3.32Å; L430-A432 PolarHBondContact O-N 3.15Å; A432-I435 PolarHBondContact O-N 2.79Å; A432-C436 WeakPolarHBondContact O-CB 3.39Å; A432-C436 PolarHBondContact O-N 3.19Å; A432-L518 HydrophobicContact CB-CD2 3.28Å; A432-L521 HydrophobicContact CB-CD1 3.87Å; A432-L582 HydrophobicContact CB-CD1 4.39Å; A432-L582 HydrophobicContact CB-CD2 4.4Å
433	L	98.5	Very high	96.8	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-44.1	174.5	-79.5	168.8	0	0	0	111.8	V429 L430 M431 C436 R437 M579 L582 E583 Y586	V429-L433 WeakPolarHBondContact O-CG 3.43Å; V429-L433 PolarHBondContact O-N 3.23Å; L430-L433 WeakPolarHBondContact O-CB 3.19Å; L430-L433 PolarHBondContact O-N 2.92Å; M431-L433 VanDerWaalsContact C-N 3.35Å; M431-L433 PolarHBondContact O-N 3.05Å; L433-C436 PolarHBondContact O-N 2.96Å; L433-R437 WeakPolarHBondContact O-CB 3.39Å; L433-R437 VanDerWaalsContact O-CG 3.3Å; L433-R437 WeakPolarHBondContact O-CG 3.34Å; L433-R437 PolarHBondContact O-N 3.3Å; L433-M579 HydrophobicContact CD2-CE 3.9Å; L433-M579 HydrophobicContact CD2-SD 4.35Å; L433-L582 HydrophobicContact CD2-CB 3.42Å; L433-L582 VanDerWaalsContact CD2-CB 3.42Å; L433-L582 HydrophobicContact CD2-CD1 4.46Å; L433-L582 HydrophobicContact CG-CB 3.94Å; L433-E583 HydrophobicContact CD1-CG 4.38Å; L433-E583 HydrophobicContact CD2-CB 4.45Å; L433-E583 HydrophobicContact CD2-CG 3.49Å; L433-E583 VanDerWaalsContact CD2-CG 3.49Å; L433-Y586 HydrophobicContact CD1-CD1 4.43Å; L433-Y586 HydrophobicContact CD1-CD2 4.49Å; L433-Y586 HydrophobicContact CD1-CG 4.04Å
434	H	98.8	Very high	97.1	Very high	19 Å²	19	25.2 Å²	25.2	9%	0.088	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-49.7	174.9	-68.8	156	0	0	0	111.9	N378 L430 M431 C436 R437 G438 F463 V465	N378-H434 WeakPolarHBondContact CB-O 3.38Å; N378-H434 VanDerWaalsContact ND2-CB 3.31Å; N378-H434 WeakPolarHBondContact ND2-CB 3.35Å; N378-H434 PolarHBondContact ND2-CD2 2.85Å; L430-H434 PolarHBondContact O-N 2.83Å; L430-H434 PolarHBondContact O-ND1 3.32Å; M431-H434 WeakPolarHBondContact O-CB 3.05Å; M431-H434 PolarHBondContact O-N 3.24Å; H434-C436 PolarHBondContact O-N 3.09Å; H434-R437 PolarHBondContact O-N 3.36Å; H434-G438 PolarHBondContact O-N 2.92Å; H434-F463 PolarHBondContact ND1-O 3.27Å; H434-F463 VanDerWaalsContact ND1-O 3.12Å; H434-V465 HydrophobicContact CB-CB 3.8Å; H434-V465 PolarHBondContact ND1-N 2.85Å
435	I	98.9	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-46.2	177.3	-62.7	168.1	0	0	0	110.3	L405 M431 A432 R437 G438 L439 M452 V465 I467 F514 T517 L521	L405-I435 HydrophobicContact CD2-CD1 4.13Å; M431-I435 WeakPolarHBondContact O-CG1 3.37Å; M431-I435 PolarHBondContact O-N 2.99Å; A432-I435 PolarHBondContact O-N 2.79Å; I435-R437 VanDerWaalsContact C-N 3.34Å; I435-R437 PolarHBondContact O-N 2.8Å; I435-G438 PolarHBondContact O-N 2.88Å; I435-L439 WeakPolarHBondContact O-CB 3.31Å; I435-L439 PolarHBondContact O-N 3.49Å; I435-M452 HydrophobicContact CG2-CE 3.85Å; I435-M452 HydrophobicContact CG2-SD 3.99Å; I435-V465 HydrophobicContact CD1-CG1 4.06Å; I435-V465 HydrophobicContact CG1-CB 4.22Å; I435-V465 HydrophobicContact CG1-CG1 3.52Å; I435-I467 HydrophobicContact CG2-CD1 4.19Å; I435-I467 HydrophobicContact CG2-CG1 4.3Å; I435-I467 WeakPolarHBondContact O-CD1 3.38Å; I435-F514 HydrophobicContact CB-CE2 4.1Å; I435-F514 HydrophobicContact CG2-CD2 3.82Å; I435-F514 HydrophobicContact CG2-CE2 3.81Å; I435-T517 HydrophobicContact CD1-CG2 3.97Å; I435-L521 HydrophobicContact CD1-CD1 4.19Å
436	C	98.8	Very high	97.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-39.1	-179.2	-162.5	0	0	0	0	112.3	A432 L433 H434 L439 L440 F514 M579 L582	A432-C436 WeakPolarHBondContact O-CB 3.39Å; A432-C436 PolarHBondContact O-N 3.19Å; L433-C436 PolarHBondContact O-N 2.96Å; H434-C436 PolarHBondContact O-N 3.09Å; C436-L439 PolarHBondContact O-N 2.99Å; C436-L440 WeakPolarHBondContact O-CB 3.36Å; C436-L440 PolarHBondContact O-N 2.8Å; C436-F514 HydrophobicContact CB-CE2 3.97Å; C436-F514 HydrophobicContact CB-CZ 3.78Å; C436-M579 HydrophobicContact CB-CG 4.4Å; C436-M579 HydrophobicContact CB-SD 3.58Å; C436-M579 VanDerWaalsContact CB-SD 3.58Å; C436-L582 HydrophobicContact CB-CD1 4.17Å
437	R	98.7	Very high	97.6	Very high	80 Å²	80	23.7 Å²	23.7	30%	0.302	12%	0.117	S	C	.	.	H	α-helix	trans	-62.8	-45.6	173	-72.6	177	-178.1	147.9	6.3	111.9	L433 H434 I435 L440 H441 M579 E583	L433-R437 WeakPolarHBondContact O-CB 3.39Å; L433-R437 VanDerWaalsContact O-CG 3.3Å; L433-R437 WeakPolarHBondContact O-CG 3.34Å; L433-R437 PolarHBondContact O-N 3.3Å; H434-R437 PolarHBondContact O-N 3.36Å; I435-R437 VanDerWaalsContact C-N 3.34Å; I435-R437 PolarHBondContact O-N 2.8Å; R437-L440 PolarHBondContact O-N 3.12Å; R437-H441 PolarHBondContact O-N 2.96Å; R437-M579 HydrophobicContact CB-SD 4.37Å; R437-M579 HydrophobicContact CG-CE 3.38Å; R437-M579 HydrophobicContact CG-SD 3.51Å; R437-M579 VanDerWaalsContact CG-SD 3.51Å; R437-E583 IonicContact CZ-OE1 2.82Å; R437-E583 IonicContact NE-OE1 2.96Å; R437-E583 IonicContact NH2-OE1 3.48Å; R437-E583 PolarHBondContact NH2-OE1 2.72Å
438	G	98.7	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-45.5	175.6	0	0	0	0	0	111.9	H434 I435 H441 L442	H434-G438 PolarHBondContact O-N 2.92Å; I435-G438 PolarHBondContact O-N 2.88Å; G438-H441 WeakPolarHBondContact O-CB 3.33Å; G438-H441 PolarHBondContact O-N 3.48Å; G438-L442 WeakPolarHBondContact O-CG 3.5Å; G438-L442 PolarHBondContact O-N 3.27Å
439	L	98.6	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.3	-41.7	-179	-169.3	61.5	0	0	0	111.4	I435 C436 H441 L442 H443 H449 M452 I467 D510 F514	I435-L439 WeakPolarHBondContact O-CB 3.31Å; I435-L439 PolarHBondContact O-N 3.49Å; C436-L439 PolarHBondContact O-N 2.99Å; L439-H441 VanDerWaalsContact C-N 3.3Å; L439-H441 PolarHBondContact O-N 2.76Å; L439-L442 PolarHBondContact O-N 2.83Å; L439-H443 PolarHBondContact O-CD2 3.05Å; L439-H443 VanDerWaalsContact O-CG 3.27Å; L439-H443 PolarHBondContact O-N 2.85Å; L439-H449 HydrophobicContact CD1-CB 4.15Å; L439-M452 HydrophobicContact CD1-SD 4.24Å; L439-I467 HydrophobicContact CB-CD1 3.87Å; L439-I467 HydrophobicContact CD1-CD1 4.43Å; L439-I467 VanDerWaalsContact N-CD1 3.29Å; L439-D510 HydrophobicContact CD1-CB 4.22Å; L439-D510 HydrophobicContact CD2-CB 4.29Å; L439-F514 HydrophobicContact CD2-CB 4.1Å; L439-F514 HydrophobicContact CD2-CD2 4.46Å; L439-F514 HydrophobicContact CD2-CG 4.46Å
440	L	98.2	Very high	97.8	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.089	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-41.2	172.5	177.2	59.2	0	0	0	112	C436 R437 H443 R444 C575 P576 M579	C436-L440 WeakPolarHBondContact O-CB 3.36Å; C436-L440 PolarHBondContact O-N 2.8Å; R437-L440 PolarHBondContact O-N 3.12Å; L440-H443 PolarHBondContact O-N 2.66Å; L440-R444 HydrophobicContact CD1-CG 4.23Å; L440-R444 WeakPolarHBondContact O-CB 3.3Å; L440-R444 WeakPolarHBondContact O-CG 3.47Å; L440-R444 PolarHBondContact O-N 2.9Å; L440-C575 HydrophobicContact CB-CB 3.99Å; L440-C575 HydrophobicContact CD1-CB 4.03Å; L440-P576 HydrophobicContact CD1-CG 3.76Å; L440-M579 HydrophobicContact CD2-CG 4.32Å
441	H	98.5	Very high	97.8	Very high	24 Å²	24	24.9 Å²	24.9	11%	0.111	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-44.8	176.2	-178.8	74	0	0	0	111.8	P374 H376 R437 G438 L439 R444 N445	P374-H441 PolarHBondContact O-CE1 3.5Å; P374-H441 PolarHBondContact O-NE2 2.92Å; H376-H441 HydrophobicContact CB-CB 4.36Å; H376-H441 VanDerWaalsContact CB-CD2 3.45Å; H376-H441 WeakPolarHBondContact CB-CD2 3.48Å; H376-H441 AromaticContact CD2-CG 3.68Å; H376-H441 AromaticContact CD2-ND1 3.68Å; H376-H441 AromaticContact CG-CD2 3.91Å; H376-H441 AromaticContact CG-CG 3.64Å; H376-H441 AromaticContact CG-ND1 3.99Å; R437-H441 PolarHBondContact O-N 2.96Å; G438-H441 WeakPolarHBondContact O-CB 3.33Å; G438-H441 PolarHBondContact O-N 3.48Å; L439-H441 VanDerWaalsContact C-N 3.3Å; L439-H441 PolarHBondContact O-N 2.76Å; H441-R444 PolarHBondContact O-N 2.88Å; H441-N445 PolarHBondContact CE1-ND2 3.04Å; H441-N445 VanDerWaalsContact CE1-ND2 3.35Å; H441-N445 PolarHBondContact O-N 3.37Å; H441-N445 PolarHBondContact O-ND2 3.18Å
442	L	98.1	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.7	-48.4	174.8	-66.4	179.3	0	0	0	111.4	F370 I373 V379 G438 L439 R444 N445 G446 I447 I467	F370-L442 HydrophobicContact CD1-CD2 3.75Å; F370-L442 HydrophobicContact CE1-CD1 3.96Å; F370-L442 HydrophobicContact CE1-CD2 3.8Å; F370-L442 HydrophobicContact CG-CD2 4.15Å; F370-L442 HydrophobicContact CZ-CD1 3.87Å; F370-L442 HydrophobicContact CZ-CD2 4.2Å; I373-L442 HydrophobicContact CD1-CD2 3.72Å; V379-L442 HydrophobicContact CG1-CD2 4.06Å; V379-L442 HydrophobicContact CG2-CD2 4.34Å; V379-L442 HydrophobicContact CG2-CG 4.29Å; G438-L442 WeakPolarHBondContact O-CG 3.5Å; G438-L442 PolarHBondContact O-N 3.27Å; L439-L442 PolarHBondContact O-N 2.83Å; L442-R444 PolarHBondContact O-N 3.14Å; L442-N445 CarbonylContact O-C 3.6Å; L442-N445 WeakPolarHBondContact O-CA 3.49Å; L442-N445 PolarHBondContact O-N 3.42Å; L442-G446 PolarHBondContact O-N 3.25Å; L442-I447 CarbonylContact C-O 3.38Å; L442-I447 HydrophobicContact CB-CB 4.14Å; L442-I447 HydrophobicContact CB-CG2 4.34Å; L442-I447 HydrophobicContact CD2-CB 4.48Å; L442-I447 HydrophobicContact CD2-CD1 4.27Å; L442-I447 HydrophobicContact CD2-CG2 4.39Å; L442-I447 PolarHBondContact O-N 3.18Å; L442-I467 HydrophobicContact CD1-CD1 4.37Å; L442-I467 HydrophobicContact CD1-CG2 4.03Å
443	H	97.7	Very high	97.8	Very high	19 Å²	19	24.8 Å²	24.8	9%	0.088	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-43.1	179.6	-69.3	-173.5	0	0	0	112	Q294 L439 L440 N445 G446 I447 T507 D510 C575	Q294-H443 PolarHBondContact OE1-O 3.03Å; L439-H443 PolarHBondContact O-CD2 3.05Å; L439-H443 VanDerWaalsContact O-CG 3.27Å; L439-H443 PolarHBondContact O-N 2.85Å; L440-H443 PolarHBondContact O-N 2.66Å; H443-N445 PolarHBondContact O-N 3.4Å; H443-G446 PolarHBondContact O-N 3.49Å; H443-I447 PolarHBondContact CD2-O 2.91Å; H443-I447 VanDerWaalsContact CD2-O 3.31Å; H443-I447 PolarHBondContact N-O 2.9Å; H443-T507 HydrophobicContact CB-CG2 3.96Å; H443-T507 PolarHBondContact CE1-O 2.95Å; H443-D510 IonicContact CD2-OD2 3.84Å; H443-D510 IonicContact CE1-OD2 3.44Å; H443-D510 IonicContact NE2-OD2 2.85Å; H443-D510 PolarHBondContact NE2-OD2 2.91Å; H443-C575 PolarHBondContact ND1-SG 2.73Å
444	R	96.6	Very high	97.8	Very high	130 Å²	130	24.7 Å²	24.7	49%	0.491	12%	0.115	S	C	.	.	H	α-helix	trans	-62	-28.8	175.7	-78.9	176.1	170.5	171	-1.3	113.4	Y283 L440 H441 L442 G446	Y283-R444 PolarHBondContact OH-NH1 3.17Å; L440-R444 HydrophobicContact CD1-CG 4.23Å; L440-R444 WeakPolarHBondContact O-CB 3.3Å; L440-R444 WeakPolarHBondContact O-CG 3.47Å; L440-R444 PolarHBondContact O-N 2.9Å; H441-R444 PolarHBondContact O-N 2.88Å; L442-R444 PolarHBondContact O-N 3.14Å; R444-G446 VanDerWaalsContact C-N 3.29Å
445	N	96.1	Very high	97.8	Very high	59 Å²	59	24 Å²	24	32%	0.316	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	15.2	175.5	-69.8	-82	0	0	0	112.5	I373 P374 H441 L442 H443 I447	I373-N445 HydrophobicContact CB-CB 3.99Å; I373-N445 HydrophobicContact CD1-CB 4.36Å; I373-N445 HydrophobicContact CG2-CB 3.81Å; P374-N445 WeakPolarHBondContact CD-OD1 3.37Å; H441-N445 PolarHBondContact CE1-ND2 3.04Å; H441-N445 VanDerWaalsContact CE1-ND2 3.35Å; H441-N445 PolarHBondContact O-N 3.37Å; H441-N445 PolarHBondContact O-ND2 3.18Å; L442-N445 CarbonylContact O-C 3.6Å; L442-N445 WeakPolarHBondContact O-CA 3.49Å; L442-N445 PolarHBondContact O-N 3.42Å; H443-N445 PolarHBondContact O-N 3.4Å; N445-I447 VanDerWaalsContact C-N 3.33Å; N445-I447 PolarHBondContact O-N 3.1Å
446	G	95.2	Very high	97.8	Very high	34 Å²	34	24.1 Å²	24.1	35%	0.351	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	19.4	173.5	0	0	0	0	0	115.6	Q294 L442 H443 R444	Q294-G446 PolarHBondContact NE2-O 3.44Å; L442-G446 PolarHBondContact O-N 3.25Å; H443-G446 PolarHBondContact O-N 3.49Å; R444-G446 VanDerWaalsContact C-N 3.29Å
447	I	96.6	Very high	97.8	Very high	16 Å²	16	24.1 Å²	24.1	8%	0.082	11%	0.113	C	C	.	.			trans	-100.2	122.2	178	-60.9	-178.3	0	0	0	109.1	F370 I373 L442 H443 N445	F370-I447 HydrophobicContact CD1-CD1 3.98Å; F370-I447 HydrophobicContact CD1-CG2 4.29Å; F370-I447 HydrophobicContact CE1-CG2 4.06Å; I373-I447 HydrophobicContact CD1-CD1 3.87Å; I373-I447 HydrophobicContact CG2-CD1 3.85Å; L442-I447 CarbonylContact C-O 3.38Å; L442-I447 HydrophobicContact CB-CB 4.14Å; L442-I447 HydrophobicContact CB-CG2 4.34Å; L442-I447 HydrophobicContact CD2-CB 4.48Å; L442-I447 HydrophobicContact CD2-CD1 4.27Å; L442-I447 HydrophobicContact CD2-CG2 4.39Å; L442-I447 PolarHBondContact O-N 3.18Å; H443-I447 PolarHBondContact CD2-O 2.91Å; H443-I447 VanDerWaalsContact CD2-O 3.31Å; H443-I447 PolarHBondContact N-O 2.9Å; N445-I447 VanDerWaalsContact C-N 3.33Å; N445-I447 PolarHBondContact O-N 3.1Å
448	V	97.4	Very high	97.7	Very high	8 Å²	8	21 Å²	21	5%	0.048	10%	0.102	C	C	.	.			trans	-95.4	124.7	163.4	177.8	0	0	0	0	107.1	W296 R450 F505 S506 T507 D510	W296-V448 HydrophobicContact CB-CB 4.07Å; W296-V448 HydrophobicContact CB-CG1 4.34Å; W296-V448 HydrophobicContact CB-CG2 4.22Å; V448-R450 HydrophobicContact CG1-CG 3.96Å; V448-F505 HydrophobicContact CG1-CB 4.36Å; V448-S506 WeakPolarHBondContact CG1-O 3.21Å; V448-T507 HydrophobicContact CG2-CG2 4.17Å; V448-D510 WeakPolarHBondContact CA-OD2 3.4Å; V448-D510 WeakPolarHBondContact CG1-OD2 3.49Å
449	H	97.6	Very high	97.7	Very high	12 Å²	12	21 Å²	21	6%	0.056	10%	0.102	C	C	.	.			trans	-69.5	-40.8	-173	-168.2	-79.7	0	0	0	112.1	F370 L439 D451 M452 I467 C468 D510	F370-H449 AromaticContact CZ-CD2 3.76Å; F370-H449 AromaticContact CZ-NE2 3.92Å; L439-H449 HydrophobicContact CD1-CB 4.15Å; H449-D451 PolarHBondContact CE1-O 2.93Å; H449-D451 PolarHBondContact ND1-N 2.93Å; H449-D451 PolarHBondContact ND1-O 3.06Å; H449-D451 PolarHBondContact O-N 2.92Å; H449-M452 PolarHBondContact ND1-N 2.81Å; H449-I467 WeakPolarHBondContact NE2-CG2 3.41Å; H449-C468 PolarHBondContact NE2-O 3.35Å; H449-D510 PolarHBondContact N-OD1 2.9Å; H449-D510 PolarHBondContact N-OD2 3.45Å
450	R	96.5	Very high	97.5	Very high	85 Å²	85	21.4 Å²	21.4	32%	0.321	11%	0.107	S	C	.	.	S	Bend	trans	66.8	-12.4	179.9	-48	-172.8	-56.5	178.7	11.5	117	W296 V448 F505 D510	W296-R450 VanDerWaalsContact CE2-NH1 3.34Å; W296-R450 HydrophobicContact CG-CG 4.47Å; W296-R450 VanDerWaalsContact CZ2-NH1 3.26Å; V448-R450 HydrophobicContact CG1-CG 3.96Å; R450-F505 HydrophobicContact CB-CD1 3.67Å; R450-F505 HydrophobicContact CB-CE1 3.98Å; R450-F505 HydrophobicContact CB-CG 4.27Å; R450-F505 HydrophobicContact CG-CB 3.92Å; R450-F505 HydrophobicContact CG-CD1 3.78Å; R450-F505 HydrophobicContact CG-CE1 4.48Å; R450-F505 HydrophobicContact CG-CG 3.88Å; R450-D510 PolarHBondContact N-OD1 3.18Å
451	D	97.6	Very high	97	Very high	15 Å²	15	25.5 Å²	25.5	8%	0.08	13%	0.125	C	C	.	.			trans	-141.6	48.2	-179.5	-171.9	18.6	0	0	0	111.3	H449 A453 R455 N456 T470 Y481 P491	H449-D451 PolarHBondContact CE1-O 2.93Å; H449-D451 PolarHBondContact ND1-N 2.93Å; H449-D451 PolarHBondContact ND1-O 3.06Å; H449-D451 PolarHBondContact O-N 2.92Å; D451-A453 PolarHBondContact O-N 2.82Å; D451-R455 IonicContact OD1-CZ 3.1Å; D451-R455 IonicContact OD1-NE 3.11Å; D451-R455 IonicContact OD1-NH2 2.65Å; D451-R455 PolarHBondContact OD1-NH2 2.82Å; D451-N456 PolarHBondContact O-ND2 2.8Å; D451-N456 PolarHBondContact OD2-ND2 3.02Å; D451-T470 HydrophobicContact CB-CG2 3.73Å; D451-Y481 PolarHBondContact OD2-OH 2.84Å; D451-P491 WeakPolarHBondContact OD1-CG 2.99Å
452	M	98.5	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.			trans	-72.3	119.3	179.9	-171.3	69.1	-105	0	0	109.8	I435 L439 H449 C457 I467 S513 T517	I435-M452 HydrophobicContact CG2-CE 3.85Å; I435-M452 HydrophobicContact CG2-SD 3.99Å; L439-M452 HydrophobicContact CD1-SD 4.24Å; H449-M452 PolarHBondContact ND1-N 2.81Å; M452-C457 WeakPolarHBondContact CE-SG 3.33Å; M452-I467 HydrophobicContact CE-CD1 4.34Å; M452-I467 HydrophobicContact CE-CG1 4.18Å; M452-I467 HydrophobicContact SD-CD1 3.75Å; M452-I467 HydrophobicContact SD-CG1 4.24Å; M452-S513 WeakPolarHBondContact O-CB 2.97Å; M452-T517 PolarHBondContact O-OG1 3Å
453	A	98.7	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-163.1	164.8	178.6	0	0	0	0	0	110.2	D451 R455 N456 C457 W494 T517	D451-A453 PolarHBondContact O-N 2.82Å; A453-R455 HydrophobicContact CB-CG 3.76Å; A453-R455 VanDerWaalsContact CB-CZ 3.45Å; A453-R455 PolarHBondContact O-N 3.02Å; A453-N456 PolarHBondContact O-N 2.75Å; A453-C457 PolarHBondContact O-SG 3.34Å; A453-W494 HydrophobicContact CB-CG 4.36Å; A453-T517 WeakPolarHBondContact CA-OG1 3.28Å
454	T	98.5	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-62	-29.2	176.8	61.4	0	0	0	0	113.2	L405 K406 L409 N456 C457 T517 E520 L521	L405-T454 HydrophobicContact CD2-CG2 4.2Å; L405-T454 HydrophobicContact CG-CG2 4.45Å; K406-T454 WeakPolarHBondContact CB-OG1 3.39Å; K406-T454 PolarHBondContact N-O 2.85Å; L409-T454 HydrophobicContact CD1-CG2 3.83Å; T454-N456 PolarHBondContact O-N 2.76Å; T454-C457 PolarHBondContact O-N 2.87Å; T454-C457 VanDerWaalsContact O-N 3.14Å; T454-T517 HydrophobicContact CG2-CG2 3.93Å; T454-E520 HydrophobicContact CG2-CB 3.53Å; T454-E520 HydrophobicContact CG2-CG 4.38Å; T454-E520 PolarHBondContact N-OE2 3.05Å; T454-E520 VanDerWaalsContact N-OE2 3.15Å; T454-E520 PolarHBondContact OG1-OE1 3.38Å; T454-L521 HydrophobicContact CG2-CD2 4.46Å
455	R	98	Very high	96.5	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.015	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-61.3	-24.1	174.8	58.4	165.6	172.3	-69.4	-13.2	113.7	N404 K406 D451 A453 F477 D480 Y481 W494	N404-R455 PolarHBondContact ND2-O 2.8Å; K406-R455 HydrophobicContact CB-CB 4.33Å; K406-R455 HydrophobicContact CD-CB 3.97Å; D451-R455 IonicContact OD1-CZ 3.1Å; D451-R455 IonicContact OD1-NE 3.11Å; D451-R455 IonicContact OD1-NH2 2.65Å; D451-R455 PolarHBondContact OD1-NH2 2.82Å; A453-R455 HydrophobicContact CB-CG 3.76Å; A453-R455 VanDerWaalsContact CB-CZ 3.45Å; A453-R455 PolarHBondContact O-N 3.02Å; R455-F477 HydrophobicContact CB-CD1 4.26Å; R455-F477 HydrophobicContact CB-CD2 3.68Å; R455-F477 HydrophobicContact CB-CE1 4.36Å; R455-F477 HydrophobicContact CB-CE2 3.8Å; R455-F477 HydrophobicContact CB-CG 3.93Å; R455-F477 HydrophobicContact CB-CZ 4.15Å; R455-D480 WeakPolarHBondContact CD-OD2 3.39Å; R455-D480 IonicContact CZ-OD2 2.78Å; R455-D480 IonicContact NE-OD2 2.69Å; R455-D480 IonicContact NH1-OD2 3.34Å; R455-D480 PolarHBondContact NH1-OD2 3.35Å; R455-Y481 PolarHBondContact NE-OH 2.87Å; R455-W494 VanDerWaalsContact NH1-CZ2 3.29Å
456	N	98.5	Very high	96.6	Very high	3 Å²	3	27 Å²	27	2%	0.016	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-103.5	23.5	-179.3	-66.9	-19.1	0	0	0	111.2	D451 A453 T454 C468 S473	D451-N456 PolarHBondContact O-ND2 2.8Å; D451-N456 PolarHBondContact OD2-ND2 3.02Å; A453-N456 PolarHBondContact O-N 2.75Å; T454-N456 PolarHBondContact O-N 2.76Å; N456-C468 WeakPolarHBondContact O-CB 3.28Å; N456-C468 PolarHBondContact O-N 3.06Å; N456-S473 WeakPolarHBondContact OD1-CB 3.43Å; N456-S473 PolarHBondContact OD1-OG 3.15Å
457	C	98.7	Very high	96.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.8	175.5	-64.2	0	0	0	0	110.9	L405 M452 A453 T454 V465 Q466	L405-C457 HydrophobicContact CB-CB 3.8Å; L405-C457 HydrophobicContact CD2-CB 3.62Å; L405-C457 HydrophobicContact CG-CB 4.37Å; L405-C457 PolarHBondContact N-O 2.94Å; M452-C457 WeakPolarHBondContact CE-SG 3.33Å; A453-C457 PolarHBondContact O-SG 3.34Å; T454-C457 PolarHBondContact O-N 2.87Å; T454-C457 VanDerWaalsContact O-N 3.14Å; C457-V465 HydrophobicContact CB-CG1 3.81Å; C457-Q466 CarbonylContact C-O 3.56Å; C457-Q466 VanDerWaalsContact CA-O 3.31Å; C457-Q466 WeakPolarHBondContact CA-O 3.31Å
458	L	98.3	Very high	96.8	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.068	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148	169.7	-61.1	175.1	0	0	0	109.9	L347 H399 G403 V465 Q466 C468	L347-L458 HydrophobicContact CD1-CD1 3.93Å; L347-L458 HydrophobicContact CD1-CD2 3.74Å; L347-L458 HydrophobicContact CD1-CG 4.48Å; H399-L458 HydrophobicContact CB-CD1 4.39Å; G403-L458 CarbonylContact O-C 3.58Å; G403-L458 VanDerWaalsContact O-CA 3.24Å; G403-L458 WeakPolarHBondContact O-CA 3.3Å; L458-V465 CarbonylContact O-C 3.59Å; L458-V465 VanDerWaalsContact O-CA 3.25Å; L458-V465 WeakPolarHBondContact O-CA 3.45Å; L458-V465 WeakPolarHBondContact O-CG1 3.28Å; L458-Q466 PolarHBondContact N-O 2.81Å; L458-Q466 PolarHBondContact O-N 2.9Å; L458-C468 HydrophobicContact CD1-CB 4.49Å; L458-C468 HydrophobicContact CG-CB 4.24Å
459	V	97.8	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.4	177.4	63.4	0	0	0	0	111.7	H399 F402 G403 L405 F408 F463 V464 V465	H399-V459 PolarHBondContact CE1-O 3.48Å; H399-V459 VanDerWaalsContact CE1-O 3.24Å; F402-V459 HydrophobicContact CB-CG1 4Å; F402-V459 HydrophobicContact CD2-CG1 4.38Å; F402-V459 PolarHBondContact N-O 2.96Å; G403-V459 PolarHBondContact N-O 2.88Å; G403-V459 VanDerWaalsContact N-O 3.16Å; G403-V459 PolarHBondContact O-N 2.9Å; L405-V459 HydrophobicContact CB-CG1 4.38Å; L405-V459 HydrophobicContact CD1-CB 4.02Å; L405-V459 HydrophobicContact CD1-CG1 3.98Å; L405-V459 HydrophobicContact CD1-CG2 4.45Å; F408-V459 HydrophobicContact CB-CG1 3.86Å; F408-V459 HydrophobicContact CD1-CG1 3.79Å; F408-V459 HydrophobicContact CG-CG1 3.82Å; V459-F463 HydrophobicContact CG2-CB 4.42Å; V459-F463 HydrophobicContact CG2-CD1 4.16Å; V459-V464 WeakPolarHBondContact CA-O 3.39Å; V459-V465 HydrophobicContact CB-CG2 4.28Å; V459-V465 HydrophobicContact CG2-CG2 4.06Å
460	G	95.3	Very high	96.6	Very high	10 Å²	10	25.2 Å²	25.2	10%	0.103	13%	0.128	C	C	.	.			trans	-91	-177.9	-176.8	0	0	0	0	0	114.6	R400 F402 D462 F463 V464	R400-G460 WeakPolarHBondContact O-CA 3.2Å; F402-G460 VanDerWaalsContact CD2-O 3.22Å; F402-G460 WeakPolarHBondContact CD2-O 3.47Å; F402-G460 WeakPolarHBondContact CE2-O 3.43Å; G460-D462 PolarHBondContact O-N 2.92Å; G460-D462 VanDerWaalsContact O-N 3.15Å; G460-F463 PolarHBondContact O-N 3.15Å; G460-F463 VanDerWaalsContact O-N 3.09Å; G460-V464 PolarHBondContact N-O 2.98Å
461	E	87.2	Confident	96.4	Very high	103 Å²	103	21.2 Å²	21.2	48%	0.481	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.6	-175.2	-66.4	-177.7	174.9	0	0	114.3	R400	R400-E461 HydrophobicContact CG-CG 4.29Å; R400-E461 WeakPolarHBondContact CG-OE1 3.44Å; R400-E461 IonicContact CZ-OE1 3.66Å; R400-E461 IonicContact CZ-OE2 3.63Å; R400-E461 IonicContact NE-OE1 3.78Å; R400-E461 PolarHBondContact NE-OE1 2.65Å; R400-E461 IonicContact NE-OE2 3.86Å; R400-E461 PolarHBondContact NE-OE2 2.69Å; R400-E461 IonicContact NH2-OE1 2.78Å; R400-E461 PolarHBondContact NH2-OE1 3.45Å; R400-E461 IonicContact NH2-OE2 3.42Å; R400-E461 PolarHBondContact NH2-OE2 3.47Å; R400-E461 PolarHBondContact O-N 3.1Å
462	D	89	Confident	96.2	Very high	133 Å²	133	20.8 Å²	20.8	71%	0.711	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	26.1	177.9	-61	-48.9	0	0	0	113.5	G460 V464	G460-D462 PolarHBondContact O-N 2.92Å; G460-D462 VanDerWaalsContact O-N 3.15Å; D462-V464 HydrophobicContact CB-CG2 4.26Å; D462-V464 PolarHBondContact O-N 3.1Å
463	F	94.3	Very high	96.1	Very high	34 Å²	34	21 Å²	21	15%	0.149	11%	0.112	C	C	.	.			trans	56.1	22.7	-173.1	-55.5	-38.2	0	0	0	114.5	F402 F408 L423 D427 M431 H434 V459 G460 V465	F402-F463 HydrophobicContact CD2-CD1 4.42Å; F402-F463 HydrophobicContact CD2-CE1 4.34Å; F402-F463 AromaticContact CE2-CD1 3.95Å; F402-F463 HydrophobicContact CE2-CD1 3.95Å; F402-F463 AromaticContact CE2-CE1 3.68Å; F402-F463 HydrophobicContact CE2-CE1 3.68Å; F402-F463 HydrophobicContact CZ-CE1 4.18Å; F408-F463 HydrophobicContact CE1-CD1 4.16Å; F408-F463 AromaticContact CE1-CE1 3.87Å; F408-F463 HydrophobicContact CE1-CE1 3.87Å; F408-F463 HydrophobicContact CE2-CE1 4.29Å; F408-F463 HydrophobicContact CZ-CD1 4.08Å; F408-F463 AromaticContact CZ-CE1 3.37Å; F408-F463 HydrophobicContact CZ-CE1 3.37Å; F408-F463 HydrophobicContact CZ-CZ 4.17Å; L423-F463 HydrophobicContact CD2-CD2 4.44Å; L423-F463 HydrophobicContact CD2-CE1 4Å; L423-F463 HydrophobicContact CD2-CE2 3.83Å; L423-F463 HydrophobicContact CD2-CZ 3.59Å; D427-F463 HydrophobicContact CB-CD2 4.15Å; D427-F463 HydrophobicContact CB-CE2 4.38Å; M431-F463 HydrophobicContact CE-CB 3.62Å; M431-F463 HydrophobicContact CE-CD1 3.55Å; M431-F463 HydrophobicContact CE-CD2 4.07Å; M431-F463 HydrophobicContact CE-CE1 4.25Å; M431-F463 HydrophobicContact CE-CG 3.47Å; M431-F463 VanDerWaalsContact CE-CG 3.47Å; M431-F463 HydrophobicContact CG-CB 4.3Å; H434-F463 PolarHBondContact ND1-O 3.27Å; H434-F463 VanDerWaalsContact ND1-O 3.12Å; V459-F463 HydrophobicContact CG2-CB 4.42Å; V459-F463 HydrophobicContact CG2-CD1 4.16Å; G460-F463 PolarHBondContact O-N 3.15Å; G460-F463 VanDerWaalsContact O-N 3.09Å; F463-V465 PolarHBondContact O-N 3.35Å
464	V	97.3	Very high	95.9	Very high	56 Å²	56	24.6 Å²	24.6	34%	0.339	13%	0.126	S	C	.	.			trans	-67.2	117.9	168.1	178.3	0	0	0	0	108.1	V459 G460 D462	V459-V464 WeakPolarHBondContact CA-O 3.39Å; G460-V464 PolarHBondContact N-O 2.98Å; D462-V464 HydrophobicContact CB-CG2 4.26Å; D462-V464 PolarHBondContact O-N 3.1Å
465	V	98.7	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.2	-179.3	-177.6	0	0	0	0	110.3	N378 L405 M431 H434 I435 C457 L458 V459 F463	N378-V465 WeakPolarHBondContact CA-O 3.21Å; N378-V465 WeakPolarHBondContact CB-O 3.45Å; N378-V465 PolarHBondContact ND2-O 3.16Å; L405-V465 HydrophobicContact CD2-CG1 3.97Å; L405-V465 HydrophobicContact CD2-CG2 4.41Å; M431-V465 HydrophobicContact CB-CG2 3.74Å; M431-V465 HydrophobicContact CG-CG2 3.65Å; H434-V465 HydrophobicContact CB-CB 3.8Å; H434-V465 PolarHBondContact ND1-N 2.85Å; I435-V465 HydrophobicContact CD1-CG1 4.06Å; I435-V465 HydrophobicContact CG1-CB 4.22Å; I435-V465 HydrophobicContact CG1-CG1 3.52Å; C457-V465 HydrophobicContact CB-CG1 3.81Å; L458-V465 CarbonylContact O-C 3.59Å; L458-V465 VanDerWaalsContact O-CA 3.25Å; L458-V465 WeakPolarHBondContact O-CA 3.45Å; L458-V465 WeakPolarHBondContact O-CG1 3.28Å; V459-V465 HydrophobicContact CB-CG2 4.28Å; V459-V465 HydrophobicContact CG2-CG2 4.06Å; F463-V465 PolarHBondContact O-N 3.35Å
466	Q	98.6	Very high	95.7	Very high	39 Å²	39	25.9 Å²	25.9	18%	0.182	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.7	176.1	-52.3	-174.8	-64.7	0	0	109.7	P377 N378 C457 L458 C468	P377-Q466 WeakPolarHBondContact O-CG 3.43Å; P377-Q466 PolarHBondContact O-NE2 3.33Å; N378-Q466 WeakPolarHBondContact O-CA 3.2Å; C457-Q466 CarbonylContact C-O 3.56Å; C457-Q466 VanDerWaalsContact CA-O 3.31Å; C457-Q466 WeakPolarHBondContact CA-O 3.31Å; L458-Q466 PolarHBondContact N-O 2.81Å; L458-Q466 PolarHBondContact O-N 2.9Å; Q466-C468 PolarHBondContact O-N 3.36Å
467	I	98.7	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.1	168.6	-62	-178.3	0	0	0	108.1	F370 N378 S380 I435 L439 L442 H449 M452	F370-I467 HydrophobicContact CE2-CG2 4.39Å; F370-I467 HydrophobicContact CZ-CG2 4.33Å; N378-I467 PolarHBondContact O-N 2.84Å; S380-I467 PolarHBondContact N-O 2.98Å; I435-I467 HydrophobicContact CG2-CD1 4.19Å; I435-I467 HydrophobicContact CG2-CG1 4.3Å; I435-I467 WeakPolarHBondContact O-CD1 3.38Å; L439-I467 HydrophobicContact CB-CD1 3.87Å; L439-I467 HydrophobicContact CD1-CD1 4.43Å; L439-I467 VanDerWaalsContact N-CD1 3.29Å; L442-I467 HydrophobicContact CD1-CD1 4.37Å; L442-I467 HydrophobicContact CD1-CG2 4.03Å; H449-I467 WeakPolarHBondContact NE2-CG2 3.41Å; M452-I467 HydrophobicContact CE-CD1 4.34Å; M452-I467 HydrophobicContact CE-CG1 4.18Å; M452-I467 HydrophobicContact SD-CD1 3.75Å; M452-I467 HydrophobicContact SD-CG1 4.24Å
468	C	97.6	Very high	95.4	Very high	6 Å²	6	29 Å²	29	4%	0.041	15%	0.153	C	C	.	.			trans	-108.9	158.4	178.2	-160.4	0	0	0	0	109.5	H449 N456 L458 Q466	H449-C468 PolarHBondContact NE2-O 3.35Å; N456-C468 WeakPolarHBondContact O-CB 3.28Å; N456-C468 PolarHBondContact O-N 3.06Å; L458-C468 HydrophobicContact CD1-CB 4.49Å; L458-C468 HydrophobicContact CG-CB 4.24Å; Q466-C468 PolarHBondContact O-N 3.36Å
469	D	96.3	Very high	95.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.011	17%	0.173	C	C	.	.			trans	-63.7	162.8	173.5	66.5	93.5	0	0	0	111.8	K349 E366 S367 F370 Y397 G471	K349-D469 PolarHBondContact NZ-O 2.91Å; K349-D469 IonicContact NZ-OD1 3.3Å; K349-D469 PolarHBondContact NZ-OD1 3.49Å; K349-D469 IonicContact NZ-OD2 3.95Å; K349-D469 PolarHBondContact NZ-OD2 3.08Å; E366-D469 WeakPolarHBondContact O-CB 3.47Å; S367-D469 VanDerWaalsContact CA-OD1 3.32Å; S367-D469 WeakPolarHBondContact CA-OD1 3.4Å; F370-D469 HydrophobicContact CE2-CB 4.28Å; Y397-D469 VanDerWaalsContact CE1-OD2 3.32Å; Y397-D469 WeakPolarHBondContact CE1-OD2 3.41Å; Y397-D469 PolarHBondContact OH-OD2 3.48Å; D469-G471 PolarHBondContact O-N 2.93Å; D469-G471 WeakPolarHBondContact OD1-CA 3.47Å; D469-G471 PolarHBondContact OD1-N 2.99Å
470	T	94.9	Very high	95.2	Very high	26 Å²	26	33.5 Å²	33.5	16%	0.16	17%	0.173	C	C	.	.			trans	-83.5	5.2	-179.4	67.4	0	0	0	0	113.6	D451 L472 S473	D451-T470 HydrophobicContact CB-CG2 3.73Å; T470-L472 PolarHBondContact O-N 3.36Å; T470-S473 VanDerWaalsContact C-OG 3.27Å; T470-S473 WeakPolarHBondContact CA-OG 3.22Å; T470-S473 WeakPolarHBondContact O-CB 3.45Å; T470-S473 PolarHBondContact O-N 3.41Å; T470-S473 VanDerWaalsContact O-N 3.08Å; T470-S473 PolarHBondContact O-OG 3.27Å; T470-S473 VanDerWaalsContact O-OG 3.08Å
471	G	91.7	Very high	95.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	123.9	179.7	0	0	0	0	0	110.1	K349 D469 S473	K349-G471 PolarHBondContact NZ-O 3.29Å; K349-G471 VanDerWaalsContact NZ-O 3.14Å; D469-G471 PolarHBondContact O-N 2.93Å; D469-G471 WeakPolarHBondContact OD1-CA 3.47Å; D469-G471 PolarHBondContact OD1-N 2.99Å; G471-S473 VanDerWaalsContact C-N 3.25Å; G471-S473 PolarHBondContact O-N 3.1Å
472	L	94.3	Very high	95.7	Very high	5 Å²	5	31 Å²	31	3%	0.026	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	-3.8	-174.4	-50.3	178.5	0	0	0	116	F328 I331 K349 L351 F363 T470 R474 D475 L476	F328-L472 HydrophobicContact CE2-CD2 4.21Å; I331-L472 HydrophobicContact CD1-CD1 4.16Å; K349-L472 HydrophobicContact CB-CD1 4.13Å; L351-L472 HydrophobicContact CD2-CD2 3.66Å; F363-L472 HydrophobicContact CD2-CD1 4.41Å; F363-L472 HydrophobicContact CD2-CD2 3.6Å; F363-L472 HydrophobicContact CD2-CG 3.72Å; F363-L472 HydrophobicContact CE2-CD1 4Å; F363-L472 HydrophobicContact CE2-CD2 4.05Å; F363-L472 HydrophobicContact CE2-CG 3.75Å; F363-L472 HydrophobicContact CG-CD2 4.31Å; T470-L472 PolarHBondContact O-N 3.36Å; L472-R474 VanDerWaalsContact C-N 3.27Å; L472-R474 PolarHBondContact O-N 2.93Å; L472-R474 VanDerWaalsContact O-N 3.17Å; L472-D475 WeakPolarHBondContact O-CA 3.47Å; L472-D475 WeakPolarHBondContact O-CB 3.17Å; L472-D475 PolarHBondContact O-N 2.87Å; L472-L476 HydrophobicContact CB-CD1 3.86Å; L472-L476 HydrophobicContact CB-CG 4.02Å; L472-L476 WeakPolarHBondContact O-CG 3.49Å; L472-L476 PolarHBondContact O-N 3.44Å
473	S	95.6	Very high	95.7	Very high	5 Å²	5	26.6 Å²	26.6	4%	0.035	14%	0.138	C	C	.	.	H	α-helix	trans	-59.6	-36.2	-173.5	-55.6	0	0	0	0	113.7	N456 T470 G471 D475 F477 Y481	N456-S473 WeakPolarHBondContact OD1-CB 3.43Å; N456-S473 PolarHBondContact OD1-OG 3.15Å; T470-S473 VanDerWaalsContact C-OG 3.27Å; T470-S473 WeakPolarHBondContact CA-OG 3.22Å; T470-S473 WeakPolarHBondContact O-CB 3.45Å; T470-S473 PolarHBondContact O-N 3.41Å; T470-S473 VanDerWaalsContact O-N 3.08Å; T470-S473 PolarHBondContact O-OG 3.27Å; T470-S473 VanDerWaalsContact O-OG 3.08Å; G471-S473 VanDerWaalsContact C-N 3.25Å; G471-S473 PolarHBondContact O-N 3.1Å; S473-D475 VanDerWaalsContact C-N 3.27Å; S473-D475 PolarHBondContact O-N 2.85Å; S473-F477 PolarHBondContact O-N 2.98Å; S473-Y481 WeakPolarHBondContact CB-OH 3.41Å; S473-Y481 WeakPolarHBondContact O-CE2 3.3Å
474	R	95	Very high	95.4	Very high	76 Å²	76	27.4 Å²	27.4	29%	0.287	14%	0.143	S	C	.	.	H	α-helix	trans	-67.8	-27.3	175	-59.1	-175.2	-154.7	-164.1	15.6	113.5	E366 L472 P478 Y481 N489	E366-R474 IonicContact OE1-NH2 3.56Å; E366-R474 PolarHBondContact OE1-NH2 3.41Å; L472-R474 VanDerWaalsContact C-N 3.27Å; L472-R474 PolarHBondContact O-N 2.93Å; L472-R474 VanDerWaalsContact O-N 3.17Å; R474-P478 WeakPolarHBondContact O-CA 3.44Å; R474-Y481 HydrophobicContact CB-CD2 4.37Å; R474-Y481 HydrophobicContact CB-CE2 4.35Å; R474-Y481 HydrophobicContact CB-CG 4.49Å; R474-Y481 HydrophobicContact CG-CD1 3.74Å; R474-Y481 HydrophobicContact CG-CD2 4.31Å; R474-Y481 HydrophobicContact CG-CE1 3.55Å; R474-Y481 HydrophobicContact CG-CE2 4.17Å; R474-Y481 HydrophobicContact CG-CG 4.12Å; R474-N489 PolarHBondContact NH1-O 3.02Å
475	D	95	Very high	94.6	Very high	4 Å²	4	28 Å²	28	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-86.4	-39.4	-179.4	-168.8	44.5	0	0	0	112.2	G326 N327 F328 G329 L472 S473 P478	G326-D475 WeakPolarHBondContact CA-O 3.46Å; G326-D475 VanDerWaalsContact CA-OD2 3.3Å; G326-D475 WeakPolarHBondContact CA-OD2 3.03Å; N327-D475 WeakPolarHBondContact CA-OD1 3.15Å; N327-D475 VanDerWaalsContact CB-OD1 3.26Å; N327-D475 WeakPolarHBondContact CB-OD1 3.02Å; N327-D475 VanDerWaalsContact N-CG 3.27Å; N327-D475 PolarHBondContact N-OD1 3.38Å; N327-D475 PolarHBondContact N-OD2 3.07Å; N327-D475 VanDerWaalsContact N-OD2 3.1Å; F328-D475 HydrophobicContact CD1-CB 4.12Å; F328-D475 VanDerWaalsContact CD1-CG 3.41Å; F328-D475 WeakPolarHBondContact CD1-OD1 3.4Å; F328-D475 HydrophobicContact CD2-CB 4.32Å; F328-D475 HydrophobicContact CE1-CB 3.6Å; F328-D475 VanDerWaalsContact CE1-CG 3.41Å; F328-D475 WeakPolarHBondContact CE1-OD1 3.26Å; F328-D475 HydrophobicContact CE2-CB 3.83Å; F328-D475 HydrophobicContact CG-CB 4.47Å; F328-D475 HydrophobicContact CZ-CB 3.45Å; F328-D475 VanDerWaalsContact CZ-CB 3.45Å; F328-D475 PolarHBondContact N-OD1 2.76Å; F328-D475 PolarHBondContact N-OD2 2.92Å; G329-D475 PolarHBondContact N-OD2 3.5Å; L472-D475 WeakPolarHBondContact O-CA 3.47Å; L472-D475 WeakPolarHBondContact O-CB 3.17Å; L472-D475 PolarHBondContact O-N 2.87Å; S473-D475 VanDerWaalsContact C-N 3.27Å; S473-D475 PolarHBondContact O-N 2.85Å; D475-P478 WeakPolarHBondContact O-CD 3.29Å
476	L	96	Very high	93.7	Very high	27 Å²	27	30.9 Å²	30.9	14%	0.141	18%	0.176	C	C	.	.	H	α-helix	trans	-79.4	-26.4	-178.8	-61.7	174.9	0	0	0	112.7	L324 I331 L472 P478	L324-L476 HydrophobicContact CB-CD2 4.32Å; I331-L476 HydrophobicContact CD1-CD1 3.85Å; I331-L476 HydrophobicContact CG1-CD1 3.68Å; L472-L476 HydrophobicContact CB-CD1 3.86Å; L472-L476 HydrophobicContact CB-CG 4.02Å; L472-L476 WeakPolarHBondContact O-CG 3.49Å; L472-L476 PolarHBondContact O-N 3.44Å; L476-P478 VanDerWaalsContact C-CD 3.49Å
477	F	96.8	Very high	92.9	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.026	21%	0.207	C	C	.	.			trans	-131.9	55.7	-179	-56.1	-83.4	0	0	0	112.2	L324 N404 K406 R455 S473 Q479 D480 Y481	L324-F477 HydrophobicContact CD2-CE2 4.47Å; L324-F477 HydrophobicContact CD2-CZ 3.89Å; N404-F477 WeakPolarHBondContact OD1-CZ 3.42Å; K406-F477 HydrophobicContact CD-CD1 4.13Å; K406-F477 HydrophobicContact CD-CE1 4.17Å; R455-F477 HydrophobicContact CB-CD1 4.26Å; R455-F477 HydrophobicContact CB-CD2 3.68Å; R455-F477 HydrophobicContact CB-CE1 4.36Å; R455-F477 HydrophobicContact CB-CE2 3.8Å; R455-F477 HydrophobicContact CB-CG 3.93Å; R455-F477 HydrophobicContact CB-CZ 4.15Å; S473-F477 PolarHBondContact O-N 2.98Å; F477-Q479 PolarHBondContact O-N 3.24Å; F477-Q479 VanDerWaalsContact O-N 3.1Å; F477-D480 HydrophobicContact CB-CB 4.47Å; F477-D480 WeakPolarHBondContact O-CB 3.25Å; F477-D480 PolarHBondContact O-N 2.84Å; F477-Y481 HydrophobicContact CB-CE2 4.5Å; F477-Y481 WeakPolarHBondContact O-CD2 3.33Å; F477-Y481 WeakPolarHBondContact O-CE2 3.35Å
478	P	95.5	Very high	92.3	Very high	64 Å²	64	41.3 Å²	41.3	42%	0.416	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-59.9	-27.2	-172	26	-35.7	0	0	0	113.8	R474 D475 L476 D480 Y481	R474-P478 WeakPolarHBondContact O-CA 3.44Å; D475-P478 WeakPolarHBondContact O-CD 3.29Å; L476-P478 VanDerWaalsContact C-CD 3.49Å; P478-D480 PolarHBondContact O-N 3.11Å; P478-Y481 PolarHBondContact O-N 3.36Å
479	Q	94.2	Very high	92	Very high	106 Å²	106	44.8 Å²	44.8	50%	0.495	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-65.5	-21.5	177.1	70.5	-81.6	19.6	0	0	114.1	F477 Y481	F477-Q479 PolarHBondContact O-N 3.24Å; F477-Q479 VanDerWaalsContact O-N 3.1Å; Q479-Y481 VanDerWaalsContact C-N 3.29Å
480	D	97.2	Very high	91.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-82.7	-10	179	-70.8	-3.1	0	0	0	112.2	K406 R455 F477 P478 P491 W494 Q527	K406-D480 IonicContact NZ-OD1 3.44Å; K406-D480 PolarHBondContact NZ-OD1 3.12Å; K406-D480 IonicContact NZ-OD2 2.69Å; K406-D480 PolarHBondContact NZ-OD2 3.32Å; R455-D480 WeakPolarHBondContact CD-OD2 3.39Å; R455-D480 IonicContact CZ-OD2 2.78Å; R455-D480 IonicContact NE-OD2 2.69Å; R455-D480 IonicContact NH1-OD2 3.34Å; R455-D480 PolarHBondContact NH1-OD2 3.35Å; F477-D480 HydrophobicContact CB-CB 4.47Å; F477-D480 WeakPolarHBondContact O-CB 3.25Å; F477-D480 PolarHBondContact O-N 2.84Å; P478-D480 PolarHBondContact O-N 3.11Å; D480-P491 WeakPolarHBondContact O-CA 3.38Å; D480-W494 HydrophobicContact CB-CH2 3.94Å; D480-W494 HydrophobicContact CB-CZ3 3.84Å; D480-Q527 PolarHBondContact OD1-OE1 3.45Å
481	Y	97.1	Very high	92.1	Very high	11 Å²	11	44.8 Å²	44.8	4%	0.043	25%	0.246	C	C	.	.			trans	-117.6	139.7	-174.2	-57.8	-98.4	0	0	0	112.2	D451 R455 S473 R474 F477 P478 Q479 R490 P491	D451-Y481 PolarHBondContact OD2-OH 2.84Å; R455-Y481 PolarHBondContact NE-OH 2.87Å; S473-Y481 WeakPolarHBondContact CB-OH 3.41Å; S473-Y481 WeakPolarHBondContact O-CE2 3.3Å; R474-Y481 HydrophobicContact CB-CD2 4.37Å; R474-Y481 HydrophobicContact CB-CE2 4.35Å; R474-Y481 HydrophobicContact CB-CG 4.49Å; R474-Y481 HydrophobicContact CG-CD1 3.74Å; R474-Y481 HydrophobicContact CG-CD2 4.31Å; R474-Y481 HydrophobicContact CG-CE1 3.55Å; R474-Y481 HydrophobicContact CG-CE2 4.17Å; R474-Y481 HydrophobicContact CG-CG 4.12Å; F477-Y481 HydrophobicContact CB-CE2 4.5Å; F477-Y481 WeakPolarHBondContact O-CD2 3.33Å; F477-Y481 WeakPolarHBondContact O-CE2 3.35Å; P478-Y481 PolarHBondContact O-N 3.36Å; Q479-Y481 VanDerWaalsContact C-N 3.29Å; Y481-R490 CarbonylContact C-O 3.35Å; Y481-R490 VanDerWaalsContact CA-O 3.31Å; Y481-R490 WeakPolarHBondContact CA-O 3.48Å; Y481-P491 HydrophobicContact CD1-CB 4.18Å; Y481-P491 HydrophobicContact CE1-CB 4.05Å; Y481-P491 HydrophobicContact CE1-CG 4.33Å
482	H	95.1	Very high	92.3	Very high	49 Å²	49	44.8 Å²	44.8	23%	0.227	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.6	-178.5	-53	-69.9	0	0	0	110.8	N489 R490 V492 P534	H482-N489 WeakPolarHBondContact O-CA 3.26Å; H482-R490 PolarHBondContact N-O 2.81Å; H482-R490 PolarHBondContact O-N 2.9Å; H482-V492 HydrophobicContact CB-CG2 4Å; H482-P534 HydrophobicContact CB-CB 3.86Å; H482-P534 HydrophobicContact CB-CG 4.16Å; H482-P534 WeakPolarHBondContact CD2-CG 3.34Å; H482-P534 VanDerWaalsContact CG-CG 3.43Å; H482-P534 WeakPolarHBondContact NE2-CG 2.96Å
483	C	90.1	Very high	92.5	Very high	42 Å²	42	45.1 Å²	45.1	28%	0.284	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.6	173.4	175.7	0	0	0	0	109.1	G485 N487 N489 F535	C483-G485 PolarHBondContact O-N 2.63Å; C483-N487 VanDerWaalsContact SG-CA 3.5Å; C483-N487 PolarHBondContact SG-N 3.38Å; C483-N489 WeakPolarHBondContact CB-OD1 3.27Å; C483-F535 WeakPolarHBondContact O-CZ 3.34Å
484	L	86.9	Confident	92.7	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.267	25%	0.245	S	C	.	.			trans	-92.5	35.3	-178.3	-58.1	-176.3	0	0	0	112.2	V492 P534 F535	L484-V492 HydrophobicContact CD1-CG1 4.33Å; L484-V492 HydrophobicContact CD1-CG2 3.8Å; L484-V492 HydrophobicContact CD2-CG2 4.12Å; L484-V492 HydrophobicContact CG-CG2 3.92Å; L484-P534 HydrophobicContact CD2-CB 4.17Å; L484-F535 HydrophobicContact CB-CE1 4.39Å; L484-F535 HydrophobicContact CD2-CD1 3.91Å; L484-F535 HydrophobicContact CD2-CD2 4.44Å; L484-F535 HydrophobicContact CD2-CE1 4.06Å; L484-F535 HydrophobicContact CD2-CG 4.11Å; L484-F535 HydrophobicContact CD2-CZ 4.37Å
485	G	80.7	Confident	92.8	Very high	67 Å²	67	41.5 Å²	41.5	69%	0.691	23%	0.233	S	C	*	.	S	Bend	trans	90.1	0.8	176.3	0	0	0	0	0	115.9	C483	C483-G485 PolarHBondContact O-N 2.63Å
486	D	80.6	Confident	93	Very high	61 Å²	61	41.3 Å²	41.3	33%	0.326	23%	0.232	S	C	.	.	S	Bend	trans	-107.9	12.1	-178.1	59.5	-0.6	0	0	0	113.9	E488 R490 H503	D486-E488 PolarHBondContact O-N 3.26Å; D486-E488 PolarHBondContact OD1-N 2.82Å; D486-R490 IonicContact OD1-CZ 3.35Å; D486-R490 IonicContact OD1-NH1 3.05Å; D486-R490 PolarHBondContact OD1-NH1 3.12Å; D486-R490 IonicContact OD1-NH2 3.67Å; D486-R490 PolarHBondContact OD1-NH2 2.85Å; D486-R490 IonicContact OD2-CZ 2.66Å; D486-R490 IonicContact OD2-NH1 3.12Å; D486-R490 PolarHBondContact OD2-NH1 2.84Å; D486-R490 IonicContact OD2-NH2 3.02Å; D486-R490 PolarHBondContact OD2-NH2 3.09Å; D486-H503 IonicContact OD2-CE1 3.66Å
487	N	81.5	Confident	93.1	Very high	156 Å²	156	41.4 Å²	41.4	83%	0.834	23%	0.232	S	C	*	.	S	Bend	trans	62.5	17.2	-177	-55.9	-53.8	0	0	0	114.9	C483	C483-N487 VanDerWaalsContact SG-CA 3.5Å; C483-N487 PolarHBondContact SG-N 3.38Å
488	E	85.5	Confident	93.1	Very high	102 Å²	102	42 Å²	42	48%	0.477	24%	0.235	S	C	.	.			trans	-113.3	115.4	175.5	-77	-163.8	168.9	0	0	111.9	D486 R490	D486-E488 PolarHBondContact O-N 3.26Å; D486-E488 PolarHBondContact OD1-N 2.82Å; E488-R490 PolarHBondContact O-N 3.02Å; E488-R490 IonicContact OE2-NH1 2.77Å; E488-R490 PolarHBondContact OE2-NH1 2.81Å; E488-R490 VanDerWaalsContact OE2-NH1 3.1Å
489	N	92.1	Very high	93.2	Very high	80 Å²	80	39 Å²	39	43%	0.428	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	116.1	171.1	-74.1	-16.4	0	0	0	110.2	R474 H482 C483	R474-N489 PolarHBondContact NH1-O 3.02Å; H482-N489 WeakPolarHBondContact O-CA 3.26Å; C483-N489 WeakPolarHBondContact CB-OD1 3.27Å
490	R	94.6	Very high	93.2	Very high	17 Å²	17	34.6 Å²	34.6	6%	0.064	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.4	-179.8	-70.3	-172.7	-65.9	-84.5	-4.4	112.2	Y481 H482 D486 E488 V492 L495 H503	Y481-R490 CarbonylContact C-O 3.35Å; Y481-R490 VanDerWaalsContact CA-O 3.31Å; Y481-R490 WeakPolarHBondContact CA-O 3.48Å; H482-R490 PolarHBondContact N-O 2.81Å; H482-R490 PolarHBondContact O-N 2.9Å; D486-R490 IonicContact OD1-CZ 3.35Å; D486-R490 IonicContact OD1-NH1 3.05Å; D486-R490 PolarHBondContact OD1-NH1 3.12Å; D486-R490 IonicContact OD1-NH2 3.67Å; D486-R490 PolarHBondContact OD1-NH2 2.85Å; D486-R490 IonicContact OD2-CZ 2.66Å; D486-R490 IonicContact OD2-NH1 3.12Å; D486-R490 PolarHBondContact OD2-NH1 2.84Å; D486-R490 IonicContact OD2-NH2 3.02Å; D486-R490 PolarHBondContact OD2-NH2 3.09Å; E488-R490 PolarHBondContact O-N 3.02Å; E488-R490 IonicContact OE2-NH1 2.77Å; E488-R490 PolarHBondContact OE2-NH1 2.81Å; E488-R490 VanDerWaalsContact OE2-NH1 3.1Å; R490-V492 HydrophobicContact CB-CG2 4.48Å; R490-V492 PolarHBondContact O-N 2.92Å; R490-L495 HydrophobicContact CB-CD1 4.06Å; R490-H503 VanDerWaalsContact CZ-CE1 3.49Å; R490-H503 PolarHBondContact NH1-CE1 2.83Å
491	P	97.6	Very high	92.9	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.065	22%	0.223	C	C	.	.			trans	-78.8	62.2	178.4	36.1	-39.2	0	0	0	111.7	D451 D480 Y481 K493 W494 L495	D451-P491 WeakPolarHBondContact OD1-CG 2.99Å; D480-P491 WeakPolarHBondContact O-CA 3.38Å; Y481-P491 HydrophobicContact CD1-CB 4.18Å; Y481-P491 HydrophobicContact CE1-CB 4.05Å; Y481-P491 HydrophobicContact CE1-CG 4.33Å; P491-K493 PolarHBondContact O-N 3.34Å; P491-W494 HydrophobicContact CB-CB 4.44Å; P491-W494 HydrophobicContact CB-CE3 4.2Å; P491-W494 PolarHBondContact O-N 3.02Å; P491-L495 HydrophobicContact CG-CD2 4.14Å; P491-L495 HydrophobicContact CG-CG 4.2Å; P491-L495 PolarHBondContact O-N 2.74Å
492	V	97.7	Very high	92.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-46.2	-40.5	-166.5	171.5	0	0	0	0	113.7	H482 L484 R490 W494 L495 L500 P534 M537	H482-V492 HydrophobicContact CB-CG2 4Å; L484-V492 HydrophobicContact CD1-CG1 4.33Å; L484-V492 HydrophobicContact CD1-CG2 3.8Å; L484-V492 HydrophobicContact CD2-CG2 4.12Å; L484-V492 HydrophobicContact CG-CG2 3.92Å; R490-V492 HydrophobicContact CB-CG2 4.48Å; R490-V492 PolarHBondContact O-N 2.92Å; V492-W494 VanDerWaalsContact C-N 3.26Å; V492-W494 PolarHBondContact O-N 2.84Å; V492-L495 PolarHBondContact O-N 2.89Å; V492-L500 HydrophobicContact CB-CD2 4.24Å; V492-L500 HydrophobicContact CG1-CD2 3.79Å; V492-L500 HydrophobicContact CG2-CD2 4.43Å; V492-P534 HydrophobicContact CB-CB 4.34Å; V492-P534 HydrophobicContact CG1-CB 4.06Å; V492-P534 WeakPolarHBondContact CG1-O 3.34Å; V492-M537 HydrophobicContact CG1-CB 3.76Å; V492-M537 HydrophobicContact CG1-CG 4Å
493	K	98.3	Very high	92.6	Very high	13 Å²	13	47 Å²	47	6%	0.057	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-76.4	-7.4	-176.1	-58.7	-168.6	177.3	-164.7	0	114.7	P491 P528 Y529 V532	P491-K493 PolarHBondContact O-N 3.34Å; K493-P528 HydrophobicContact CB-CB 4.44Å; K493-P528 WeakPolarHBondContact CD-O 3.12Å; K493-Y529 HydrophobicContact CB-CD2 4.18Å; K493-Y529 PolarHBondContact NZ-O 3.29Å; K493-Y529 WeakPolarHBondContact O-CE2 3.14Å; K493-V532 VanDerWaalsContact CE-O 3.28Å; K493-V532 WeakPolarHBondContact CE-O 3.27Å; K493-V532 PolarHBondContact NZ-O 3.37Å
494	W	98.7	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-106.4	-12.8	175.3	-73.8	-102.8	0	0	0	113.4	A453 R455 D480 P491 V492 S513 V516 E520 P528	A453-W494 HydrophobicContact CB-CG 4.36Å; R455-W494 VanDerWaalsContact NH1-CZ2 3.29Å; D480-W494 HydrophobicContact CB-CH2 3.94Å; D480-W494 HydrophobicContact CB-CZ3 3.84Å; P491-W494 HydrophobicContact CB-CB 4.44Å; P491-W494 HydrophobicContact CB-CE3 4.2Å; P491-W494 PolarHBondContact O-N 3.02Å; V492-W494 VanDerWaalsContact C-N 3.26Å; V492-W494 PolarHBondContact O-N 2.84Å; W494-S513 WeakPolarHBondContact O-CA 3.38Å; W494-S513 WeakPolarHBondContact O-CB 3.46Å; W494-S513 PolarHBondContact O-OG 3.3Å; W494-V516 VanDerWaalsContact CD1-CG1 3.44Å; W494-V516 HydrophobicContact CD2-CG1 4.38Å; W494-V516 HydrophobicContact CG-CB 4.46Å; W494-V516 HydrophobicContact CG-CG1 3.93Å; W494-E520 WeakPolarHBondContact CZ2-OE1 3.39Å; W494-E520 VanDerWaalsContact NE1-CD 3.26Å; W494-E520 PolarHBondContact NE1-OE2 2.71Å; W494-P528 HydrophobicContact CD2-CG 4.4Å; W494-P528 HydrophobicContact CH2-CG 3.98Å; W494-P528 HydrophobicContact CZ2-CG 3.51Å
495	L	98.4	Very high	93.4	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.254	C	S	.	.	S	Bend	trans	-80.7	144.8	-173	-69.3	-179.7	0	0	0	111.8	R490 P491 V492 L500 F505 W512	R490-L495 HydrophobicContact CB-CD1 4.06Å; P491-L495 HydrophobicContact CG-CD2 4.14Å; P491-L495 HydrophobicContact CG-CG 4.2Å; P491-L495 PolarHBondContact O-N 2.74Å; V492-L495 PolarHBondContact O-N 2.89Å; L495-L500 HydrophobicContact CB-CD1 4.35Å; L495-L500 HydrophobicContact CB-CD2 3.71Å; L495-L500 HydrophobicContact CB-CG 3.63Å; L495-L500 HydrophobicContact CD1-CD2 3.8Å; L495-L500 HydrophobicContact CD1-CG 4.43Å; L495-L500 HydrophobicContact CG-CD2 4.34Å; L495-F505 HydrophobicContact CD2-CE1 3.8Å; L495-W512 PolarHBondContact O-NE1 3.26Å
496	A	98.3	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.			trans	-67.8	156.7	168.7	0	0	0	0	0	111	E498 S499 L500 W512	A496-E498 VanDerWaalsContact C-N 3.29Å; A496-E498 VanDerWaalsContact CB-CD 3.49Å; A496-E498 WeakPolarHBondContact CB-OE1 3.41Å; A496-E498 VanDerWaalsContact CB-OE2 3.3Å; A496-E498 WeakPolarHBondContact CB-OE2 3.28Å; A496-E498 PolarHBondContact O-N 2.65Å; A496-S499 WeakPolarHBondContact O-CA 3.41Å; A496-S499 WeakPolarHBondContact O-CB 3.08Å; A496-S499 PolarHBondContact O-N 2.83Å; A496-L500 WeakPolarHBondContact O-CG 3.19Å; A496-L500 PolarHBondContact O-N 3.1Å; A496-W512 HydrophobicContact CB-CB 3.72Å; A496-W512 HydrophobicContact CB-CD2 3.83Å; A496-W512 HydrophobicContact CB-CE3 4.1Å; A496-W512 HydrophobicContact CB-CG 3.65Å
497	L	97.7	Very high	95.1	Very high	29 Å²	29	43 Å²	43	15%	0.152	21%	0.212	C	C	.	.	H	α-helix	trans	-56.9	-42.1	-178.6	-178	62.5	0	0	0	112.1	S499 L500 D501 A538 L541 I542 L567	L497-S499 VanDerWaalsContact C-N 3.29Å; L497-S499 PolarHBondContact O-N 2.76Å; L497-L500 PolarHBondContact O-N 2.94Å; L497-D501 WeakPolarHBondContact O-CB 3.23Å; L497-D501 PolarHBondContact O-N 2.78Å; L497-A538 HydrophobicContact CD1-CB 4.23Å; L497-L541 HydrophobicContact CD1-CB 4.42Å; L497-I542 HydrophobicContact CD1-CD1 4.32Å; L497-I542 HydrophobicContact CD1-CG1 4.02Å; L497-I542 HydrophobicContact CD2-CG1 3.75Å; L497-L567 HydrophobicContact CD2-CD2 3.89Å
498	E	96.9	Very high	95.9	Very high	19 Å²	19	35.9 Å²	35.9	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-30.2	177.2	71.6	-79.9	-171.1	0	0	113.3	A496 K502 H503 E504 P569 R572	A496-E498 VanDerWaalsContact C-N 3.29Å; A496-E498 VanDerWaalsContact CB-CD 3.49Å; A496-E498 WeakPolarHBondContact CB-OE1 3.41Å; A496-E498 VanDerWaalsContact CB-OE2 3.3Å; A496-E498 WeakPolarHBondContact CB-OE2 3.28Å; A496-E498 PolarHBondContact O-N 2.65Å; E498-K502 WeakPolarHBondContact O-CA 3.43Å; E498-K502 WeakPolarHBondContact O-CB 3.39Å; E498-K502 PolarHBondContact O-N 2.92Å; E498-H503 PolarHBondContact O-N 2.73Å; E498-E504 HydrophobicContact CB-CB 4.42Å; E498-E504 HydrophobicContact CG-CB 4.33Å; E498-E504 PolarHBondContact O-N 3.3Å; E498-P569 HydrophobicContact CG-CG 4.35Å; E498-R572 IonicContact OE1-CZ 3.7Å; E498-R572 IonicContact OE1-NH1 3.59Å; E498-R572 PolarHBondContact OE1-NH1 3.23Å; E498-R572 IonicContact OE1-NH2 3.41Å; E498-R572 PolarHBondContact OE1-NH2 3.45Å; E498-R572 IonicContact OE2-CZ 3.86Å; E498-R572 IonicContact OE2-NH1 3.78Å; E498-R572 IonicContact OE2-NH2 2.74Å; E498-R572 PolarHBondContact OE2-NH2 3.26Å
499	S	97.5	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-76.9	-30.3	175	-53.7	0	0	0	0	112.1	A496 L497 H503 E504 S509	A496-S499 WeakPolarHBondContact O-CA 3.41Å; A496-S499 WeakPolarHBondContact O-CB 3.08Å; A496-S499 PolarHBondContact O-N 2.83Å; L497-S499 VanDerWaalsContact C-N 3.29Å; L497-S499 PolarHBondContact O-N 2.76Å; S499-H503 WeakPolarHBondContact O-CA 3.34Å; S499-H503 PolarHBondContact O-N 3.37Å; S499-E504 VanDerWaalsContact CA-O 3.28Å; S499-E504 WeakPolarHBondContact CA-O 3.28Å; S499-E504 WeakPolarHBondContact CB-O 3.25Å; S499-E504 PolarHBondContact N-O 2.87Å; S499-E504 PolarHBondContact OG-O 2.8Å; S499-S509 VanDerWaalsContact OG-CB 3.24Å; S499-S509 WeakPolarHBondContact OG-CB 3.36Å
500	L	94.2	Very high	96.9	Very high	15 Å²	15	27.3 Å²	27.3	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-73.7	-48	175.1	-74.6	170.7	0	0	0	112.3	V492 L495 A496 L497 M537 L541	V492-L500 HydrophobicContact CB-CD2 4.24Å; V492-L500 HydrophobicContact CG1-CD2 3.79Å; V492-L500 HydrophobicContact CG2-CD2 4.43Å; L495-L500 HydrophobicContact CB-CD1 4.35Å; L495-L500 HydrophobicContact CB-CD2 3.71Å; L495-L500 HydrophobicContact CB-CG 3.63Å; L495-L500 HydrophobicContact CD1-CD2 3.8Å; L495-L500 HydrophobicContact CD1-CG 4.43Å; L495-L500 HydrophobicContact CG-CD2 4.34Å; A496-L500 WeakPolarHBondContact O-CG 3.19Å; A496-L500 PolarHBondContact O-N 3.1Å; L497-L500 PolarHBondContact O-N 2.94Å; L500-M537 HydrophobicContact CD1-CG 4.43Å; L500-L541 HydrophobicContact CD1-CD1 3.8Å
501	D	91.6	Very high	97.1	Very high	109 Å²	109	26.6 Å²	26.6	58%	0.583	13%	0.131	S	C	*	.	H	α-helix	trans	-83.4	-42.4	-172.5	-176.8	53.4	0	0	0	112.4	L497	L497-D501 WeakPolarHBondContact O-CB 3.23Å; L497-D501 PolarHBondContact O-N 2.78Å
502	K	92.3	Very high	97.1	Very high	127 Å²	127	26.2 Å²	26.2	55%	0.552	13%	0.128	S	C	*	.	S	Bend	trans	-117.3	0.2	-169.7	-57.4	178.5	-176.2	171.5	0	114.4	E498 E504	E498-K502 WeakPolarHBondContact O-CA 3.43Å; E498-K502 WeakPolarHBondContact O-CB 3.39Å; E498-K502 PolarHBondContact O-N 2.92Å; K502-E504 HydrophobicContact CB-CB 4.46Å; K502-E504 HydrophobicContact CB-CG 3.87Å; K502-E504 PolarHBondContact O-N 2.86Å
503	H	93.4	Very high	97.2	Very high	85 Å²	85	26.3 Å²	26.3	39%	0.394	13%	0.128	S	C	.	.			trans	54.9	27.5	-170.5	-54.3	-75.3	0	0	0	113.6	D486 R490 E498 S499 F505	D486-H503 IonicContact OD2-CE1 3.66Å; R490-H503 VanDerWaalsContact CZ-CE1 3.49Å; R490-H503 PolarHBondContact NH1-CE1 2.83Å; E498-H503 PolarHBondContact O-N 2.73Å; S499-H503 WeakPolarHBondContact O-CA 3.34Å; S499-H503 PolarHBondContact O-N 3.37Å; H503-F505 HydrophobicContact CB-CE2 4.44Å; H503-F505 WeakPolarHBondContact O-CD2 3.43Å; H503-F505 WeakPolarHBondContact O-CE2 3.45Å
504	E	96.4	Very high	97.2	Very high	82 Å²	82	25.7 Å²	25.7	38%	0.383	13%	0.126	S	C	.	.			trans	-85	118.8	177	-72	178.4	-168.1	0	0	109.6	E498 S499 K502	E498-E504 HydrophobicContact CB-CB 4.42Å; E498-E504 HydrophobicContact CG-CB 4.33Å; E498-E504 PolarHBondContact O-N 3.3Å; S499-E504 VanDerWaalsContact CA-O 3.28Å; S499-E504 WeakPolarHBondContact CA-O 3.28Å; S499-E504 WeakPolarHBondContact CB-O 3.25Å; S499-E504 PolarHBondContact N-O 2.87Å; S499-E504 PolarHBondContact OG-O 2.8Å; K502-E504 HydrophobicContact CB-CB 4.46Å; K502-E504 HydrophobicContact CB-CG 3.87Å; K502-E504 PolarHBondContact O-N 2.86Å
505	F	98.2	Very high	97.2	Very high	31 Å²	31	25.7 Å²	25.7	14%	0.136	13%	0.126	C	C	.	.			trans	-113	140.5	176.7	-62.7	-88.1	0	0	0	110.1	W296 V448 R450 L495 H503	W296-F505 HydrophobicContact CB-CB 3.74Å; W296-F505 WeakPolarHBondContact CB-O 3.49Å; W296-F505 HydrophobicContact CG-CB 4.37Å; W296-F505 PolarHBondContact N-O 3.41Å; V448-F505 HydrophobicContact CG1-CB 4.36Å; R450-F505 HydrophobicContact CB-CD1 3.67Å; R450-F505 HydrophobicContact CB-CE1 3.98Å; R450-F505 HydrophobicContact CB-CG 4.27Å; R450-F505 HydrophobicContact CG-CB 3.92Å; R450-F505 HydrophobicContact CG-CD1 3.78Å; R450-F505 HydrophobicContact CG-CE1 4.48Å; R450-F505 HydrophobicContact CG-CG 3.88Å; L495-F505 HydrophobicContact CD2-CE1 3.8Å; H503-F505 HydrophobicContact CB-CE2 4.44Å; H503-F505 WeakPolarHBondContact O-CD2 3.43Å; H503-F505 WeakPolarHBondContact O-CE2 3.45Å
506	S	98.3	Very high	97.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-155.9	172.3	-179.2	67.8	0	0	0	0	111.7	Q294 V448 A508 S509 D510	Q294-S506 CarbonylContact O-C 3.5Å; Q294-S506 VanDerWaalsContact O-CA 3.22Å; Q294-S506 WeakPolarHBondContact O-CA 3.47Å; Q294-S506 WeakPolarHBondContact O-CB 3.43Å; V448-S506 WeakPolarHBondContact CG1-O 3.21Å; S506-A508 PolarHBondContact O-N 2.96Å; S506-A508 PolarHBondContact OG-N 2.9Å; S506-S509 PolarHBondContact N-OG 3.41Å; S506-S509 PolarHBondContact O-N 3.36Å; S506-S509 PolarHBondContact O-OG 2.82Å; S506-S509 PolarHBondContact OG-N 2.84Å; S506-S509 VanDerWaalsContact OG-N 3.16Å; S506-D510 PolarHBondContact O-N 2.82Å
507	T	98.3	Very high	97.3	Very high	21 Å²	21	25.5 Å²	25.5	13%	0.129	13%	0.125	C	C	.	.	H	α-helix	trans	-56.4	-29	169.5	54.9	0	0	0	0	112.2	Q294 H443 V448 V511	Q294-T507 HydrophobicContact CB-CG2 3.8Å; Q294-T507 PolarHBondContact N-OG1 3Å; Q294-T507 PolarHBondContact O-N 3.18Å; H443-T507 HydrophobicContact CB-CG2 3.96Å; H443-T507 PolarHBondContact CE1-O 2.95Å; V448-T507 HydrophobicContact CG2-CG2 4.17Å; T507-V511 WeakPolarHBondContact O-CG2 3.43Å; T507-V511 PolarHBondContact O-N 2.83Å; T507-V511 VanDerWaalsContact O-N 3.16Å
508	A	98.5	Very high	97.3	Very high	7 Å²	7	24.3 Å²	24.3	6%	0.058	12%	0.118	C	C	.	.	H	α-helix	trans	-77.3	-30.9	175.7	0	0	0	0	0	113.2	I293 S506 V511 W512 P569 R572	I293-A508 HydrophobicContact CD1-CB 3.99Å; I293-A508 HydrophobicContact CG1-CB 4.23Å; I293-A508 HydrophobicContact CG2-CB 4.1Å; S506-A508 PolarHBondContact O-N 2.96Å; S506-A508 PolarHBondContact OG-N 2.9Å; A508-V511 WeakPolarHBondContact O-CB 3.29Å; A508-V511 PolarHBondContact O-N 2.94Å; A508-W512 PolarHBondContact O-N 2.75Å; A508-P569 HydrophobicContact CB-CB 3.77Å; A508-R572 VanDerWaalsContact C-NH1 3.33Å; A508-R572 WeakPolarHBondContact O-CD 3.35Å; A508-R572 PolarHBondContact O-NH1 2.95Å
509	S	98.7	Very high	97.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-71.1	-34.2	171.1	69.3	0	0	0	0	111.2	S499 S506 V511 W512 S513	S499-S509 VanDerWaalsContact OG-CB 3.24Å; S499-S509 WeakPolarHBondContact OG-CB 3.36Å; S506-S509 PolarHBondContact N-OG 3.41Å; S506-S509 PolarHBondContact O-N 3.36Å; S506-S509 PolarHBondContact O-OG 2.82Å; S506-S509 PolarHBondContact OG-N 2.84Å; S506-S509 VanDerWaalsContact OG-N 3.16Å; S509-V511 VanDerWaalsContact C-N 3.29Å; S509-V511 PolarHBondContact O-N 2.84Å; S509-W512 WeakPolarHBondContact O-CB 3.42Å; S509-W512 PolarHBondContact O-N 2.97Å; S509-S513 PolarHBondContact O-N 3.47Å; S509-S513 VanDerWaalsContact O-N 3.12Å; S509-S513 PolarHBondContact O-OG 2.89Å
510	D	98.7	Very high	97.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-36.7	170.6	-80.1	-7.9	0	0	0	111.9	L439 H443 V448 H449 R450 S506 W512 S513 F514	L439-D510 HydrophobicContact CD1-CB 4.22Å; L439-D510 HydrophobicContact CD2-CB 4.29Å; H443-D510 IonicContact CD2-OD2 3.84Å; H443-D510 IonicContact CE1-OD2 3.44Å; H443-D510 IonicContact NE2-OD2 2.85Å; H443-D510 PolarHBondContact NE2-OD2 2.91Å; V448-D510 WeakPolarHBondContact CA-OD2 3.4Å; V448-D510 WeakPolarHBondContact CG1-OD2 3.49Å; H449-D510 PolarHBondContact N-OD1 2.9Å; H449-D510 PolarHBondContact N-OD2 3.45Å; R450-D510 PolarHBondContact N-OD1 3.18Å; S506-D510 PolarHBondContact O-N 2.82Å; D510-W512 VanDerWaalsContact C-N 3.34Å; D510-S513 PolarHBondContact O-N 3.36Å; D510-F514 WeakPolarHBondContact O-CB 3.4Å; D510-F514 PolarHBondContact O-N 2.89Å
511	V	98.7	Very high	97.6	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-41.1	174.1	163.8	0	0	0	0	111.5	T507 A508 S509 F514 G515 C564 R572 P573 L578	T507-V511 WeakPolarHBondContact O-CG2 3.43Å; T507-V511 PolarHBondContact O-N 2.83Å; T507-V511 VanDerWaalsContact O-N 3.16Å; A508-V511 WeakPolarHBondContact O-CB 3.29Å; A508-V511 PolarHBondContact O-N 2.94Å; S509-V511 VanDerWaalsContact C-N 3.29Å; S509-V511 PolarHBondContact O-N 2.84Å; V511-F514 WeakPolarHBondContact O-CB 3.38Å; V511-F514 PolarHBondContact O-N 2.85Å; V511-G515 PolarHBondContact O-N 3.1Å; V511-C564 HydrophobicContact CG1-CB 3.96Å; V511-C564 WeakPolarHBondContact O-CB 3.38Å; V511-R572 HydrophobicContact CG1-CB 4.02Å; V511-P573 HydrophobicContact CG1-CG 4.42Å; V511-P573 WeakPolarHBondContact CG1-O 3.33Å; V511-P573 WeakPolarHBondContact CG2-O 3.22Å; V511-L578 HydrophobicContact CG1-CD1 4.1Å; V511-L578 HydrophobicContact CG2-CD1 4.1Å
512	W	98.8	Very high	97.8	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-58.8	-51.1	173.7	177.3	-69.8	0	0	0	111.1	L495 A496 A508 S509 D510 F514 G515 V516 L541 W565	L495-W512 PolarHBondContact O-NE1 3.26Å; A496-W512 HydrophobicContact CB-CB 3.72Å; A496-W512 HydrophobicContact CB-CD2 3.83Å; A496-W512 HydrophobicContact CB-CE3 4.1Å; A496-W512 HydrophobicContact CB-CG 3.65Å; A508-W512 PolarHBondContact O-N 2.75Å; S509-W512 WeakPolarHBondContact O-CB 3.42Å; S509-W512 PolarHBondContact O-N 2.97Å; D510-W512 VanDerWaalsContact C-N 3.34Å; W512-F514 VanDerWaalsContact C-N 3.27Å; W512-F514 PolarHBondContact O-N 3.12Å; W512-G515 WeakPolarHBondContact O-CA 3.3Å; W512-G515 PolarHBondContact O-N 2.96Å; W512-V516 PolarHBondContact O-N 3Å; W512-V516 VanDerWaalsContact O-N 3.11Å; W512-L541 HydrophobicContact CH2-CD1 4.01Å; W512-L541 HydrophobicContact CH2-CD2 3.96Å; W512-L541 HydrophobicContact CH2-CG 4.42Å; W512-L541 HydrophobicContact CZ2-CD1 3.58Å; W512-L541 HydrophobicContact CZ2-CD2 3.68Å; W512-L541 HydrophobicContact CZ2-CG 4.21Å; W512-W565 HydrophobicContact CD2-CB 4.45Å; W512-W565 AromaticContact CD2-CD1 3.85Å; W512-W565 AromaticContact CE2-CD1 3.91Å; W512-W565 HydrophobicContact CE3-CB 4.2Å; W512-W565 AromaticContact CG-CD1 3.99Å; W512-W565 HydrophobicContact CH2-CB 4.21Å; W512-W565 HydrophobicContact CZ2-CB 4.46Å; W512-W565 HydrophobicContact CZ3-CB 4.08Å; W512-W565 WeakPolarHBondContact CZ3-O 3.38Å; W512-W565 PolarHBondContact O-NE1 3.21Å
513	S	98.8	Very high	98	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-63.5	-33.3	178.7	-57.6	0	0	0	0	112.2	M452 W494 S509 D510 V516 T517	M452-S513 WeakPolarHBondContact O-CB 2.97Å; W494-S513 WeakPolarHBondContact O-CA 3.38Å; W494-S513 WeakPolarHBondContact O-CB 3.46Å; W494-S513 PolarHBondContact O-OG 3.3Å; S509-S513 PolarHBondContact O-N 3.47Å; S509-S513 VanDerWaalsContact O-N 3.12Å; S509-S513 PolarHBondContact O-OG 2.89Å; D510-S513 PolarHBondContact O-N 3.36Å; S513-V516 PolarHBondContact O-N 3.29Å; S513-T517 PolarHBondContact O-N 2.82Å; S513-T517 PolarHBondContact O-OG1 2.76Å
514	F	98.9	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.9	-41	170	176	-101.1	0	0	0	111.8	I435 C436 L439 D510 V511 W512 V516 T517 L518 L578 L582	I435-F514 HydrophobicContact CB-CE2 4.1Å; I435-F514 HydrophobicContact CG2-CD2 3.82Å; I435-F514 HydrophobicContact CG2-CE2 3.81Å; C436-F514 HydrophobicContact CB-CE2 3.97Å; C436-F514 HydrophobicContact CB-CZ 3.78Å; L439-F514 HydrophobicContact CD2-CB 4.1Å; L439-F514 HydrophobicContact CD2-CD2 4.46Å; L439-F514 HydrophobicContact CD2-CG 4.46Å; D510-F514 WeakPolarHBondContact O-CB 3.4Å; D510-F514 PolarHBondContact O-N 2.89Å; V511-F514 WeakPolarHBondContact O-CB 3.38Å; V511-F514 PolarHBondContact O-N 2.85Å; W512-F514 VanDerWaalsContact C-N 3.27Å; W512-F514 PolarHBondContact O-N 3.12Å; F514-V516 VanDerWaalsContact C-N 3.32Å; F514-V516 PolarHBondContact O-N 3.24Å; F514-T517 CarbonylContact O-C 3.53Å; F514-T517 WeakPolarHBondContact O-CA 3.5Å; F514-T517 VanDerWaalsContact O-CB 3.32Å; F514-T517 WeakPolarHBondContact O-CB 3.34Å; F514-T517 PolarHBondContact O-N 2.94Å; F514-L518 HydrophobicContact CD1-CD1 4.14Å; F514-L518 HydrophobicContact CD1-CG 4.2Å; F514-L518 HydrophobicContact CE1-CD1 3.62Å; F514-L518 HydrophobicContact CE1-CD2 4.01Å; F514-L518 HydrophobicContact CE1-CG 3.77Å; F514-L518 HydrophobicContact CE2-CD2 4.23Å; F514-L518 HydrophobicContact CE2-CG 4.46Å; F514-L518 HydrophobicContact CZ-CD1 4.17Å; F514-L518 HydrophobicContact CZ-CD2 3.67Å; F514-L518 HydrophobicContact CZ-CG 3.92Å; F514-L518 WeakPolarHBondContact O-CG 3.02Å; F514-L518 PolarHBondContact O-N 3.33Å; F514-L578 HydrophobicContact CD1-CD1 3.73Å; F514-L578 HydrophobicContact CE1-CD1 3.91Å; F514-L578 HydrophobicContact CE1-CD2 4.49Å; F514-L582 HydrophobicContact CE1-CD1 4.23Å; F514-L582 HydrophobicContact CZ-CD1 3.86Å
515	G	98.8	Very high	98	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-57.1	-43.7	171.6	0	0	0	0	0	112.5	V511 W512 T517 L518 W519 W565	V511-G515 PolarHBondContact O-N 3.1Å; W512-G515 WeakPolarHBondContact O-CA 3.3Å; W512-G515 PolarHBondContact O-N 2.96Å; G515-T517 VanDerWaalsContact C-N 3.32Å; G515-T517 PolarHBondContact O-N 2.94Å; G515-L518 WeakPolarHBondContact O-CB 2.99Å; G515-L518 PolarHBondContact O-N 2.88Å; G515-W519 PolarHBondContact O-N 2.03Å; G515-W519 VanDerWaalsContact O-N 3.1Å; G515-W565 VanDerWaalsContact C-CZ2 3.46Å; G515-W565 VanDerWaalsContact O-CZ2 3.27Å; G515-W565 WeakPolarHBondContact O-CZ2 3.36Å
516	V	98.9	Very high	97.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.9	-37.8	173.7	-176.7	0	0	0	0	111.2	W494 W512 S513 F514 W519 E520 P528 L547 W565	W494-V516 VanDerWaalsContact CD1-CG1 3.44Å; W494-V516 HydrophobicContact CD2-CG1 4.38Å; W494-V516 HydrophobicContact CG-CB 4.46Å; W494-V516 HydrophobicContact CG-CG1 3.93Å; W512-V516 PolarHBondContact O-N 3Å; W512-V516 VanDerWaalsContact O-N 3.11Å; S513-V516 PolarHBondContact O-N 3.29Å; F514-V516 VanDerWaalsContact C-N 3.32Å; F514-V516 PolarHBondContact O-N 3.24Å; V516-W519 WeakPolarHBondContact O-CB 3.12Å; V516-W519 PolarHBondContact O-N 3.39Å; V516-E520 WeakPolarHBondContact O-CG 3.38Å; V516-E520 PolarHBondContact O-N 2.69Å; V516-P528 HydrophobicContact CG1-CB 3.85Å; V516-P528 HydrophobicContact CG1-CG 3.65Å; V516-L547 HydrophobicContact CG1-CD1 4.1Å; V516-L547 HydrophobicContact CG2-CD1 4.27Å; V516-W565 HydrophobicContact CG2-CZ2 4.48Å
517	T	98.8	Very high	97.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.4	-39.1	175.9	-53.8	0	0	0	0	112	I435 M452 A453 T454 S513 F514 G515 W519 E520 L521	I435-T517 HydrophobicContact CD1-CG2 3.97Å; M452-T517 PolarHBondContact O-OG1 3Å; A453-T517 WeakPolarHBondContact CA-OG1 3.28Å; T454-T517 HydrophobicContact CG2-CG2 3.93Å; S513-T517 PolarHBondContact O-N 2.82Å; S513-T517 PolarHBondContact O-OG1 2.76Å; F514-T517 CarbonylContact O-C 3.53Å; F514-T517 WeakPolarHBondContact O-CA 3.5Å; F514-T517 VanDerWaalsContact O-CB 3.32Å; F514-T517 WeakPolarHBondContact O-CB 3.34Å; F514-T517 PolarHBondContact O-N 2.94Å; G515-T517 VanDerWaalsContact C-N 3.32Å; G515-T517 PolarHBondContact O-N 2.94Å; T517-W519 VanDerWaalsContact C-N 3.31Å; T517-W519 PolarHBondContact O-N 3.1Å; T517-E520 WeakPolarHBondContact O-CB 3.31Å; T517-E520 PolarHBondContact O-N 3.07Å; T517-L521 WeakPolarHBondContact O-CG 3.34Å; T517-L521 PolarHBondContact O-N 3.4Å
518	L	98.5	Very high	97.7	Very high	4 Å²	4	12 Å²	12	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-42.8	172.1	-70.9	-179	0	0	0	111	A432 F514 G515 E520 L521 V522 M561	A432-L518 HydrophobicContact CB-CD2 3.28Å; F514-L518 HydrophobicContact CD1-CD1 4.14Å; F514-L518 HydrophobicContact CD1-CG 4.2Å; F514-L518 HydrophobicContact CE1-CD1 3.62Å; F514-L518 HydrophobicContact CE1-CD2 4.01Å; F514-L518 HydrophobicContact CE1-CG 3.77Å; F514-L518 HydrophobicContact CE2-CD2 4.23Å; F514-L518 HydrophobicContact CE2-CG 4.46Å; F514-L518 HydrophobicContact CZ-CD1 4.17Å; F514-L518 HydrophobicContact CZ-CD2 3.67Å; F514-L518 HydrophobicContact CZ-CG 3.92Å; F514-L518 WeakPolarHBondContact O-CG 3.02Å; F514-L518 PolarHBondContact O-N 3.33Å; G515-L518 WeakPolarHBondContact O-CB 2.99Å; G515-L518 PolarHBondContact O-N 2.88Å; L518-E520 VanDerWaalsContact C-N 3.35Å; L518-L521 HydrophobicContact CD2-CD1 4.33Å; L518-L521 WeakPolarHBondContact O-CB 3.42Å; L518-L521 PolarHBondContact O-N 2.77Å; L518-V522 WeakPolarHBondContact O-CG2 3.41Å; L518-V522 PolarHBondContact O-N 2.67Å; L518-V522 VanDerWaalsContact O-N 3.1Å; L518-M561 HydrophobicContact CB-CE 3.82Å; L518-M561 HydrophobicContact CB-CG 3.8Å; L518-M561 HydrophobicContact CB-SD 4.21Å; L518-M561 HydrophobicContact CD1-CG 3.98Å
519	W	98.7	Very high	97.7	Very high	1 Å²	1	12.3 Å²	12.3	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-63.2	-41.4	175.6	-173.8	96.6	0	0	0	111.6	G515 V516 T517 L521 V522 S523 H526 P528 L547 Y548 P550 M561 W565	G515-W519 PolarHBondContact O-N 2.03Å; G515-W519 VanDerWaalsContact O-N 3.1Å; V516-W519 WeakPolarHBondContact O-CB 3.12Å; V516-W519 PolarHBondContact O-N 3.39Å; T517-W519 VanDerWaalsContact C-N 3.31Å; T517-W519 PolarHBondContact O-N 3.1Å; W519-L521 PolarHBondContact O-N 2.72Å; W519-V522 PolarHBondContact O-N 2.91Å; W519-S523 VanDerWaalsContact CZ3-OG 3.29Å; W519-S523 WeakPolarHBondContact CZ3-OG 3.45Å; W519-S523 VanDerWaalsContact O-CB 3.25Å; W519-S523 WeakPolarHBondContact O-CB 3.25Å; W519-S523 PolarHBondContact O-N 2.77Å; W519-S523 PolarHBondContact O-OG 2.91Å; W519-H526 HydrophobicContact CH2-CB 3.73Å; W519-H526 HydrophobicContact CZ3-CB 3.9Å; W519-H526 WeakPolarHBondContact CZ3-O 3.41Å; W519-P528 HydrophobicContact CE3-CG 4.38Å; W519-P528 HydrophobicContact CZ3-CB 4.4Å; W519-P528 HydrophobicContact CZ3-CG 4.31Å; W519-L547 HydrophobicContact CB-CD1 3.96Å; W519-L547 HydrophobicContact CD2-CB 4.46Å; W519-L547 HydrophobicContact CD2-CD1 3.85Å; W519-L547 HydrophobicContact CD2-CD2 4.35Å; W519-L547 HydrophobicContact CD2-CG 4.43Å; W519-L547 HydrophobicContact CE3-CD1 4.23Å; W519-L547 HydrophobicContact CG-CB 4.21Å; W519-L547 HydrophobicContact CG-CD1 3.7Å; W519-L547 HydrophobicContact CG-CG 4.43Å; W519-L547 HydrophobicContact CZ2-CD2 4.35Å; W519-Y548 HydrophobicContact CZ2-CD1 4.46Å; W519-Y548 AromaticContact CZ2-CE1 3.78Å; W519-Y548 HydrophobicContact CZ2-CE1 3.78Å; W519-Y548 HydrophobicContact CZ2-CE2 4.12Å; W519-Y548 AromaticContact CZ2-CZ 3.59Å; W519-Y548 PolarHBondContact NE1-O 2.76Å; W519-P550 HydrophobicContact CG-CG 4.26Å; W519-M561 HydrophobicContact CB-SD 4.09Å; W519-W565 HydrophobicContact CB-CH2 4.22Å; W519-W565 HydrophobicContact CB-CZ2 4.18Å; W519-W565 HydrophobicContact CG-CH2 4.5Å
520	E	98.3	Very high	97.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.4	-43.1	172.4	-71.8	-177.9	97.9	0	0	111.8	T454 W494 V516 T517 L518 V522 S523 L524 A525 P528	T454-E520 HydrophobicContact CG2-CB 3.53Å; T454-E520 HydrophobicContact CG2-CG 4.38Å; T454-E520 PolarHBondContact N-OE2 3.05Å; T454-E520 VanDerWaalsContact N-OE2 3.15Å; T454-E520 PolarHBondContact OG1-OE1 3.38Å; W494-E520 WeakPolarHBondContact CZ2-OE1 3.39Å; W494-E520 VanDerWaalsContact NE1-CD 3.26Å; W494-E520 PolarHBondContact NE1-OE2 2.71Å; V516-E520 WeakPolarHBondContact O-CG 3.38Å; V516-E520 PolarHBondContact O-N 2.69Å; T517-E520 WeakPolarHBondContact O-CB 3.31Å; T517-E520 PolarHBondContact O-N 3.07Å; L518-E520 VanDerWaalsContact C-N 3.35Å; E520-V522 PolarHBondContact O-N 3.2Å; E520-S523 WeakPolarHBondContact CA-OG 3.29Å; E520-S523 PolarHBondContact O-OG 2.77Å; E520-L524 PolarHBondContact O-N 2.77Å; E520-L524 VanDerWaalsContact O-N 3.09Å; E520-A525 PolarHBondContact O-N 2.89Å; E520-P528 HydrophobicContact CG-CG 4.14Å
521	L	97.8	Very high	97.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-57.3	-52.1	176.4	-72.8	172	0	0	0	111.2	L405 L409 L428 M431 A432 I435 T454 T517 L518 W519 L524	L405-L521 HydrophobicContact CD1-CD2 4.5Å; L405-L521 HydrophobicContact CD2-CD2 4.04Å; L409-L521 HydrophobicContact CD1-CD2 4.11Å; L409-L521 HydrophobicContact CD2-CD2 4.48Å; L428-L521 HydrophobicContact CD2-CB 4.36Å; L428-L521 WeakPolarHBondContact CD2-O 3.49Å; M431-L521 HydrophobicContact CB-CD1 4.4Å; M431-L521 HydrophobicContact CB-CD2 4.11Å; M431-L521 HydrophobicContact SD-CD2 4.16Å; A432-L521 HydrophobicContact CB-CD1 3.87Å; I435-L521 HydrophobicContact CD1-CD1 4.19Å; T454-L521 HydrophobicContact CG2-CD2 4.46Å; T517-L521 WeakPolarHBondContact O-CG 3.34Å; T517-L521 PolarHBondContact O-N 3.4Å; L518-L521 HydrophobicContact CD2-CD1 4.33Å; L518-L521 WeakPolarHBondContact O-CB 3.42Å; L518-L521 PolarHBondContact O-N 2.77Å; W519-L521 PolarHBondContact O-N 2.72Å; L521-L524 PolarHBondContact O-N 2.92Å
522	V	96.6	Very high	97.1	Very high	25 Å²	25	26.1 Å²	26.1	15%	0.152	13%	0.127	C	C	.	.	H	α-helix	trans	-73.1	-30.2	-174.8	-174.5	0	0	0	0	112.9	L518 W519 E520 L524 P550 C553 L557 M561	L518-V522 WeakPolarHBondContact O-CG2 3.41Å; L518-V522 PolarHBondContact O-N 2.67Å; L518-V522 VanDerWaalsContact O-N 3.1Å; W519-V522 PolarHBondContact O-N 2.91Å; E520-V522 PolarHBondContact O-N 3.2Å; V522-L524 VanDerWaalsContact C-N 3.28Å; V522-P550 HydrophobicContact CB-CB 4.49Å; V522-P550 HydrophobicContact CB-CG 4.26Å; V522-P550 HydrophobicContact CG1-CB 3.96Å; V522-P550 HydrophobicContact CG1-CG 4.17Å; V522-C553 HydrophobicContact CG1-CB 3.72Å; V522-L557 HydrophobicContact CG2-CD2 3.78Å; V522-M561 HydrophobicContact CB-CE 4.27Å; V522-M561 HydrophobicContact CG2-CE 3.62Å
523	S	95.3	Very high	96.9	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.063	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.9	174.3	65.5	0	0	0	0	113.8	W519 E520 A525 H526	W519-S523 VanDerWaalsContact CZ3-OG 3.29Å; W519-S523 WeakPolarHBondContact CZ3-OG 3.45Å; W519-S523 VanDerWaalsContact O-CB 3.25Å; W519-S523 WeakPolarHBondContact O-CB 3.25Å; W519-S523 PolarHBondContact O-N 2.77Å; W519-S523 PolarHBondContact O-OG 2.91Å; E520-S523 WeakPolarHBondContact CA-OG 3.29Å; E520-S523 PolarHBondContact O-OG 2.77Å; S523-A525 VanDerWaalsContact C-N 3.34Å; S523-A525 PolarHBondContact O-N 3.46Å; S523-H526 PolarHBondContact O-CD2 2.84Å; S523-H526 VanDerWaalsContact O-CG 3.26Å; S523-H526 PolarHBondContact O-N 2.7Å
524	L	94.3	Very high	96.7	Very high	43 Å²	43	30.5 Å²	30.5	23%	0.225	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	50.7	-177.2	-55.2	178.5	0	0	0	112.8	L409 L423 L428 E520 L521 V522 H526	L409-L524 HydrophobicContact CD2-CD2 4.11Å; L423-L524 HydrophobicContact CD1-CD2 4.06Å; L428-L524 HydrophobicContact CD2-CD2 4.4Å; E520-L524 PolarHBondContact O-N 2.77Å; E520-L524 VanDerWaalsContact O-N 3.09Å; L521-L524 PolarHBondContact O-N 2.92Å; V522-L524 VanDerWaalsContact C-N 3.28Å; L524-H526 PolarHBondContact O-N 3.28Å
525	A	95.6	Very high	96.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	30.8	178.2	0	0	0	0	0	115.4	K406 L409 H410 E520 S523	K406-A525 HydrophobicContact CG-CB 4Å; L409-A525 HydrophobicContact CB-CB 3.67Å; L409-A525 HydrophobicContact CD1-CB 4.04Å; H410-A525 VanDerWaalsContact CD2-CB 3.42Å; H410-A525 WeakPolarHBondContact CD2-CB 3.38Å; H410-A525 PolarHBondContact CD2-O 3.32Å; H410-A525 WeakPolarHBondContact NE2-CB 3.37Å; H410-A525 PolarHBondContact NE2-O 3.15Å; E520-A525 PolarHBondContact O-N 2.89Å; S523-A525 VanDerWaalsContact C-N 3.34Å; S523-A525 PolarHBondContact O-N 3.46Å
526	H	94.9	Very high	96.3	Very high	97 Å²	97	42.9 Å²	42.9	45%	0.449	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-54.4	154.4	165	-74.2	-169	0	0	0	111.3	W519 S523 L524 P528	W519-H526 HydrophobicContact CH2-CB 3.73Å; W519-H526 HydrophobicContact CZ3-CB 3.9Å; W519-H526 WeakPolarHBondContact CZ3-O 3.41Å; S523-H526 PolarHBondContact O-CD2 2.84Å; S523-H526 VanDerWaalsContact O-CG 3.26Å; S523-H526 PolarHBondContact O-N 2.7Å; L524-H526 PolarHBondContact O-N 3.28Å; H526-P528 VanDerWaalsContact O-CD 3.32Å; H526-P528 WeakPolarHBondContact O-CD 3.39Å
527	Q	96.4	Very high	96.2	Very high	53 Å²	53	43 Å²	43	25%	0.248	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-70.4	121.3	176.2	-177	62.7	31.4	0	0	109.7	D480 H530	D480-Q527 PolarHBondContact OD1-OE1 3.45Å; Q527-H530 HydrophobicContact CB-CB 4.01Å; Q527-H530 HydrophobicContact CG-CB 4.14Å
528	P	98.1	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	143.6	173.9	-20	32	0	0	0	110.1	K493 W494 V516 W519 E520 H526 H530 L547	K493-P528 HydrophobicContact CB-CB 4.44Å; K493-P528 WeakPolarHBondContact CD-O 3.12Å; W494-P528 HydrophobicContact CD2-CG 4.4Å; W494-P528 HydrophobicContact CH2-CG 3.98Å; W494-P528 HydrophobicContact CZ2-CG 3.51Å; V516-P528 HydrophobicContact CG1-CB 3.85Å; V516-P528 HydrophobicContact CG1-CG 3.65Å; W519-P528 HydrophobicContact CE3-CG 4.38Å; W519-P528 HydrophobicContact CZ3-CB 4.4Å; W519-P528 HydrophobicContact CZ3-CG 4.31Å; E520-P528 HydrophobicContact CG-CG 4.14Å; H526-P528 VanDerWaalsContact O-CD 3.32Å; H526-P528 WeakPolarHBondContact O-CD 3.39Å; P528-H530 PolarHBondContact O-N 3.14Å; P528-L547 HydrophobicContact CB-CD1 4.22Å; P528-L547 HydrophobicContact CB-CD2 4.04Å
529	Y	97.6	Very high	95.9	Very high	15 Å²	15	46.9 Å²	46.9	6%	0.059	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	40.6	176.7	-54.1	-79.4	0	0	0	112.9	K493 E531 V532 M537 F540 L541 L547	K493-Y529 HydrophobicContact CB-CD2 4.18Å; K493-Y529 PolarHBondContact NZ-O 3.29Å; K493-Y529 WeakPolarHBondContact O-CE2 3.14Å; Y529-E531 PolarHBondContact O-N 2.91Å; Y529-E531 VanDerWaalsContact O-N 3.11Å; Y529-V532 HydrophobicContact CD1-CG2 4.41Å; Y529-V532 PolarHBondContact O-N 3.27Å; Y529-M537 HydrophobicContact CD1-CE 3.77Å; Y529-M537 HydrophobicContact CD1-SD 4.33Å; Y529-M537 HydrophobicContact CD2-CE 4.21Å; Y529-M537 HydrophobicContact CD2-SD 4.09Å; Y529-M537 HydrophobicContact CE1-CE 3.93Å; Y529-M537 HydrophobicContact CE2-CE 4.36Å; Y529-M537 HydrophobicContact CG-CE 3.92Å; Y529-M537 HydrophobicContact CG-SD 3.89Å; Y529-F540 HydrophobicContact CD1-CD1 4.34Å; Y529-F540 AromaticContact CD1-CE1 3.8Å; Y529-F540 HydrophobicContact CD1-CE1 3.8Å; Y529-F540 HydrophobicContact CE1-CD1 4.32Å; Y529-F540 AromaticContact CE1-CE1 3.83Å; Y529-F540 HydrophobicContact CE1-CE1 3.83Å; Y529-L541 HydrophobicContact CE1-CD2 4.49Å; Y529-L547 HydrophobicContact CD1-CD2 3.74Å; Y529-L547 HydrophobicContact CD1-CG 4.21Å; Y529-L547 HydrophobicContact CD2-CD2 3.75Å; Y529-L547 HydrophobicContact CD2-CG 4.14Å; Y529-L547 HydrophobicContact CE1-CD2 3.83Å; Y529-L547 HydrophobicContact CE1-CG 3.76Å; Y529-L547 HydrophobicContact CE2-CD1 4.01Å; Y529-L547 HydrophobicContact CE2-CD2 3.84Å; Y529-L547 HydrophobicContact CE2-CG 3.68Å; Y529-L547 HydrophobicContact CG-CD2 3.7Å; Y529-L547 HydrophobicContact CG-CG 4.38Å; Y529-L547 VanDerWaalsContact CZ-CG 3.48Å; Y529-L547 VanDerWaalsContact N-CD2 3.25Å; Y529-L547 PolarHBondContact OH-N 3.42Å
530	H	94.9	Very high	95.8	Very high	109 Å²	109	49.5 Å²	49.5	51%	0.505	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.4	-169.8	75.2	-72.5	0	0	0	114.3	Q527 P528	Q527-H530 HydrophobicContact CB-CB 4.01Å; Q527-H530 HydrophobicContact CG-CB 4.14Å; P528-H530 PolarHBondContact O-N 3.14Å
531	E	94	Very high	95.8	Very high	169 Å²	169	49.5 Å²	49.5	79%	0.79	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13	178.1	-59.6	177.3	168.6	0	0	114	Y529	Y529-E531 PolarHBondContact O-N 2.91Å; Y529-E531 VanDerWaalsContact O-N 3.11Å
532	V	94.6	Very high	95.7	Very high	17 Å²	17	54.7 Å²	54.7	10%	0.103	28%	0.278	C	S	.	.	S	Bend	trans	-92.8	129.6	-176.4	-171.4	0	0	0	0	109.8	K493 Y529 M537 F540	K493-V532 VanDerWaalsContact CE-O 3.28Å; K493-V532 WeakPolarHBondContact CE-O 3.27Å; K493-V532 PolarHBondContact NZ-O 3.37Å; Y529-V532 HydrophobicContact CD1-CG2 4.41Å; Y529-V532 PolarHBondContact O-N 3.27Å; V532-M537 HydrophobicContact CB-SD 4.12Å; V532-M537 HydrophobicContact CG1-CE 4.17Å; V532-M537 HydrophobicContact CG1-SD 3.73Å; V532-F540 HydrophobicContact CG1-CB 4.18Å; V532-F540 HydrophobicContact CG1-CD2 4.18Å; V532-F540 HydrophobicContact CG1-CG 4.1Å; V532-F540 HydrophobicContact CG2-CD1 4.33Å; V532-F540 HydrophobicContact CG2-CD2 3.95Å; V532-F540 HydrophobicContact CG2-CE1 4.12Å; V532-F540 HydrophobicContact CG2-CE2 3.74Å; V532-F540 HydrophobicContact CG2-CG 4.24Å; V532-F540 HydrophobicContact CG2-CZ 3.83Å
533	D	95.1	Very high	95.6	Very high	76 Å²	76	60 Å²	60	41%	0.406	30%	0.301	S	S	.	.			trans	-65.6	130.7	171	-170.2	-46.9	0	0	0	109.5	F535 E536 M537	D533-F535 PolarHBondContact O-N 3.01Å; D533-F535 VanDerWaalsContact O-N 3.09Å; D533-F535 WeakPolarHBondContact OD1-CB 3.34Å; D533-F535 VanDerWaalsContact OD1-CD2 3.31Å; D533-F535 WeakPolarHBondContact OD1-CD2 3.3Å; D533-F535 PolarHBondContact OD1-N 3.02Å; D533-E536 HydrophobicContact CB-CB 4.42Å; D533-E536 HydrophobicContact CB-CG 4.17Å; D533-E536 PolarHBondContact O-N 3.02Å; D533-M537 PolarHBondContact O-N 2.61Å
534	P	94.3	Very high	95.5	Very high	19 Å²	19	63.6 Å²	63.6	12%	0.123	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-33.2	173.6	-28.1	34.6	0	0	0	115.1	H482 L484 V492 E536 M537	H482-P534 HydrophobicContact CB-CB 3.86Å; H482-P534 HydrophobicContact CB-CG 4.16Å; H482-P534 WeakPolarHBondContact CD2-CG 3.34Å; H482-P534 VanDerWaalsContact CG-CG 3.43Å; H482-P534 WeakPolarHBondContact NE2-CG 2.96Å; L484-P534 HydrophobicContact CD2-CB 4.17Å; V492-P534 HydrophobicContact CB-CB 4.34Å; V492-P534 HydrophobicContact CG1-CB 4.06Å; V492-P534 WeakPolarHBondContact CG1-O 3.34Å; P534-E536 VanDerWaalsContact C-N 3.29Å; P534-E536 PolarHBondContact O-N 2.73Å; P534-M537 WeakPolarHBondContact O-CB 3.27Å; P534-M537 PolarHBondContact O-N 2.86Å
535	F	94.3	Very high	95.6	Very high	139 Å²	139	66 Å²	66	61%	0.61	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.4	177.5	-72.4	-85.4	0	0	0	113.4	C483 L484 D533	C483-F535 WeakPolarHBondContact O-CZ 3.34Å; L484-F535 HydrophobicContact CB-CE1 4.39Å; L484-F535 HydrophobicContact CD2-CD1 3.91Å; L484-F535 HydrophobicContact CD2-CD2 4.44Å; L484-F535 HydrophobicContact CD2-CE1 4.06Å; L484-F535 HydrophobicContact CD2-CG 4.11Å; L484-F535 HydrophobicContact CD2-CZ 4.37Å; D533-F535 PolarHBondContact O-N 3.01Å; D533-F535 VanDerWaalsContact O-N 3.09Å; D533-F535 WeakPolarHBondContact OD1-CB 3.34Å; D533-F535 VanDerWaalsContact OD1-CD2 3.31Å; D533-F535 WeakPolarHBondContact OD1-CD2 3.3Å; D533-F535 PolarHBondContact OD1-N 3.02Å
536	E	95.6	Very high	95.7	Very high	122 Å²	122	67.2 Å²	67.2	57%	0.57	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-6.3	179.6	-63.4	-178.4	162.5	0	0	112.4	D533 P534 A538 A539 F540	D533-E536 HydrophobicContact CB-CB 4.42Å; D533-E536 HydrophobicContact CB-CG 4.17Å; D533-E536 PolarHBondContact O-N 3.02Å; P534-E536 VanDerWaalsContact C-N 3.29Å; P534-E536 PolarHBondContact O-N 2.73Å; E536-A538 VanDerWaalsContact C-N 3.32Å; E536-A538 PolarHBondContact O-N 3.13Å; E536-A539 PolarHBondContact O-N 3.03Å; E536-A539 VanDerWaalsContact O-N 3.08Å; E536-F540 PolarHBondContact O-N 3.25Å
537	M	96.7	Very high	95.9	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-39.3	-169.8	-158.2	62.2	-105.3	0	0	113.1	V492 L500 Y529 V532 D533 P534 F540 L541	V492-M537 HydrophobicContact CG1-CB 3.76Å; V492-M537 HydrophobicContact CG1-CG 4Å; L500-M537 HydrophobicContact CD1-CG 4.43Å; Y529-M537 HydrophobicContact CD1-CE 3.77Å; Y529-M537 HydrophobicContact CD1-SD 4.33Å; Y529-M537 HydrophobicContact CD2-CE 4.21Å; Y529-M537 HydrophobicContact CD2-SD 4.09Å; Y529-M537 HydrophobicContact CE1-CE 3.93Å; Y529-M537 HydrophobicContact CE2-CE 4.36Å; Y529-M537 HydrophobicContact CG-CE 3.92Å; Y529-M537 HydrophobicContact CG-SD 3.89Å; V532-M537 HydrophobicContact CB-SD 4.12Å; V532-M537 HydrophobicContact CG1-CE 4.17Å; V532-M537 HydrophobicContact CG1-SD 3.73Å; D533-M537 PolarHBondContact O-N 2.61Å; P534-M537 WeakPolarHBondContact O-CB 3.27Å; P534-M537 PolarHBondContact O-N 2.86Å; M537-F540 HydrophobicContact CE-CB 3.95Å; M537-F540 HydrophobicContact CE-CD1 3.37Å; M537-F540 HydrophobicContact CE-CE1 4.17Å; M537-F540 HydrophobicContact CE-CG 3.96Å; M537-L541 HydrophobicContact CE-CD1 4.41Å; M537-L541 HydrophobicContact CE-CD2 3.88Å; M537-L541 HydrophobicContact CE-CG 3.78Å; M537-L541 VanDerWaalsContact O-CG 3.29Å; M537-L541 WeakPolarHBondContact O-CG 3.33Å; M537-L541 PolarHBondContact O-N 2.92Å; M537-L541 VanDerWaalsContact O-N 3.09Å
538	A	95.3	Very high	95.8	Very high	33 Å²	33	65.9 Å²	65.9	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-45.7	176.8	0	0	0	0	0	112	L497 E536 L541 I542	L497-A538 HydrophobicContact CD1-CB 4.23Å; E536-A538 VanDerWaalsContact C-N 3.32Å; E536-A538 PolarHBondContact O-N 3.13Å; A538-L541 PolarHBondContact O-N 2.93Å; A538-I542 WeakPolarHBondContact O-CD1 3.43Å; A538-I542 VanDerWaalsContact O-CG1 3.22Å; A538-I542 WeakPolarHBondContact O-CG1 3.14Å; A538-I542 PolarHBondContact O-N 2.99Å
539	A	95.8	Very high	95.8	Very high	52 Å²	52	69.1 Å²	69.1	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-63.2	-44.6	178.1	0	0	0	0	0	111.3	E536 L541 I542 E543	E536-A539 PolarHBondContact O-N 3.03Å; E536-A539 VanDerWaalsContact O-N 3.08Å; A539-L541 VanDerWaalsContact C-N 3.33Å; A539-L541 PolarHBondContact O-N 3.02Å; A539-I542 PolarHBondContact O-N 3.42Å; A539-I542 VanDerWaalsContact O-N 3.16Å; A539-E543 WeakPolarHBondContact O-CG 3.22Å; A539-E543 PolarHBondContact O-N 2.93Å
540	F	97.2	Very high	95.7	Very high	56 Å²	56	68.8 Å²	68.8	25%	0.246	34%	0.339	C	S	.	.	H	α-helix	trans	-57.2	-43.6	177.3	-173	-89.9	0	0	0	112.3	Y529 V532 E536 M537 E543 Q545	Y529-F540 HydrophobicContact CD1-CD1 4.34Å; Y529-F540 AromaticContact CD1-CE1 3.8Å; Y529-F540 HydrophobicContact CD1-CE1 3.8Å; Y529-F540 HydrophobicContact CE1-CD1 4.32Å; Y529-F540 AromaticContact CE1-CE1 3.83Å; Y529-F540 HydrophobicContact CE1-CE1 3.83Å; V532-F540 HydrophobicContact CG1-CB 4.18Å; V532-F540 HydrophobicContact CG1-CD2 4.18Å; V532-F540 HydrophobicContact CG1-CG 4.1Å; V532-F540 HydrophobicContact CG2-CD1 4.33Å; V532-F540 HydrophobicContact CG2-CD2 3.95Å; V532-F540 HydrophobicContact CG2-CE1 4.12Å; V532-F540 HydrophobicContact CG2-CE2 3.74Å; V532-F540 HydrophobicContact CG2-CG 4.24Å; V532-F540 HydrophobicContact CG2-CZ 3.83Å; E536-F540 PolarHBondContact O-N 3.25Å; M537-F540 HydrophobicContact CE-CB 3.95Å; M537-F540 HydrophobicContact CE-CD1 3.37Å; M537-F540 HydrophobicContact CE-CE1 4.17Å; M537-F540 HydrophobicContact CE-CG 3.96Å; F540-E543 PolarHBondContact O-N 2.95Å; F540-Q545 HydrophobicContact CD1-CB 3.46Å; F540-Q545 VanDerWaalsContact CD1-CB 3.46Å; F540-Q545 HydrophobicContact CD1-CG 4.38Å; F540-Q545 HydrophobicContact CD2-CB 4.08Å; F540-Q545 HydrophobicContact CD2-CG 4.19Å; F540-Q545 HydrophobicContact CE1-CB 3.16Å; F540-Q545 HydrophobicContact CE1-CG 4.22Å; F540-Q545 HydrophobicContact CE2-CB 3.82Å; F540-Q545 HydrophobicContact CE2-CG 3.99Å; F540-Q545 HydrophobicContact CG-CB 3.93Å; F540-Q545 HydrophobicContact CG-CG 4.38Å; F540-Q545 HydrophobicContact CZ-CB 3.36Å; F540-Q545 HydrophobicContact CZ-CG 4.01Å; F540-Q545 VanDerWaalsContact O-CB 3.29Å; F540-Q545 WeakPolarHBondContact O-CB 3.38Å; F540-Q545 PolarHBondContact O-N 2.65Å
541	L	97.1	Very high	95.4	Very high	1 Å²	1	73.2 Å²	73.2	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-69.7	-36.1	177.4	-66.4	176.4	0	0	0	113	L497 L500 W512 Y529 M537 A538 A539 E543 D544 R546	L497-L541 HydrophobicContact CD1-CB 4.42Å; L500-L541 HydrophobicContact CD1-CD1 3.8Å; W512-L541 HydrophobicContact CH2-CD1 4.01Å; W512-L541 HydrophobicContact CH2-CD2 3.96Å; W512-L541 HydrophobicContact CH2-CG 4.42Å; W512-L541 HydrophobicContact CZ2-CD1 3.58Å; W512-L541 HydrophobicContact CZ2-CD2 3.68Å; W512-L541 HydrophobicContact CZ2-CG 4.21Å; Y529-L541 HydrophobicContact CE1-CD2 4.49Å; M537-L541 HydrophobicContact CE-CD1 4.41Å; M537-L541 HydrophobicContact CE-CD2 3.88Å; M537-L541 HydrophobicContact CE-CG 3.78Å; M537-L541 VanDerWaalsContact O-CG 3.29Å; M537-L541 WeakPolarHBondContact O-CG 3.33Å; M537-L541 PolarHBondContact O-N 2.92Å; M537-L541 VanDerWaalsContact O-N 3.09Å; A538-L541 PolarHBondContact O-N 2.93Å; A539-L541 VanDerWaalsContact C-N 3.33Å; A539-L541 PolarHBondContact O-N 3.02Å; L541-E543 VanDerWaalsContact C-N 3.29Å; L541-E543 PolarHBondContact O-N 3.39Å; L541-D544 PolarHBondContact O-N 3.15Å; L541-D544 VanDerWaalsContact O-N 3.12Å; L541-R546 PolarHBondContact O-NH1 3.33Å
542	I	95.6	Very high	94.9	Very high	110 Å²	110	71.2 Å²	71.2	56%	0.564	35%	0.347	S	S	*	.	H	α-helix	trans	-63.9	-35.2	175.7	-71	164.2	0	0	0	111.1	L497 A538 A539 D544	L497-I542 HydrophobicContact CD1-CD1 4.32Å; L497-I542 HydrophobicContact CD1-CG1 4.02Å; L497-I542 HydrophobicContact CD2-CG1 3.75Å; A538-I542 WeakPolarHBondContact O-CD1 3.43Å; A538-I542 VanDerWaalsContact O-CG1 3.22Å; A538-I542 WeakPolarHBondContact O-CG1 3.14Å; A538-I542 PolarHBondContact O-N 2.99Å; A539-I542 PolarHBondContact O-N 3.42Å; A539-I542 VanDerWaalsContact O-N 3.16Å; I542-D544 PolarHBondContact O-N 3.47Å
543	E	95.7	Very high	94.9	Very high	137 Å²	137	70.8 Å²	70.8	64%	0.64	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	16.8	172.9	-68.4	179	-177.3	0	0	113.7	A539 F540 L541 Q545	A539-E543 WeakPolarHBondContact O-CG 3.22Å; A539-E543 PolarHBondContact O-N 2.93Å; F540-E543 PolarHBondContact O-N 2.95Å; L541-E543 VanDerWaalsContact C-N 3.29Å; L541-E543 PolarHBondContact O-N 3.39Å; E543-Q545 HydrophobicContact CB-CG 4.29Å; E543-Q545 PolarHBondContact O-N 2.95Å; E543-Q545 VanDerWaalsContact O-N 3.13Å; E543-Q545 PolarHBondContact O-NE2 3.45Å
544	D	93.4	Very high	94.8	Very high	85 Å²	85	69.1 Å²	69.1	46%	0.455	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	20.2	179.9	-154.4	38.9	0	0	0	114.9	L541 I542 R546	L541-D544 PolarHBondContact O-N 3.15Å; L541-D544 VanDerWaalsContact O-N 3.12Å; I542-D544 PolarHBondContact O-N 3.47Å; D544-R546 VanDerWaalsContact C-NH1 3.26Å; D544-R546 IonicContact OD1-CZ 3.99Å; D544-R546 IonicContact OD1-NH1 3.05Å; D544-R546 IonicContact OD1-NH2 3.55Å; D544-R546 PolarHBondContact OD1-NH2 3.32Å
545	Q	96.2	Very high	94.9	Very high	93 Å²	93	74 Å²	74	44%	0.435	36%	0.364	S	S	.	.			trans	-79	141.2	175.1	-54.6	-59.4	-55.3	0	0	110.7	F540 E543	F540-Q545 HydrophobicContact CD1-CB 3.46Å; F540-Q545 VanDerWaalsContact CD1-CB 3.46Å; F540-Q545 HydrophobicContact CD1-CG 4.38Å; F540-Q545 HydrophobicContact CD2-CB 4.08Å; F540-Q545 HydrophobicContact CD2-CG 4.19Å; F540-Q545 HydrophobicContact CE1-CB 3.16Å; F540-Q545 HydrophobicContact CE1-CG 4.22Å; F540-Q545 HydrophobicContact CE2-CB 3.82Å; F540-Q545 HydrophobicContact CE2-CG 3.99Å; F540-Q545 HydrophobicContact CG-CB 3.93Å; F540-Q545 HydrophobicContact CG-CG 4.38Å; F540-Q545 HydrophobicContact CZ-CB 3.36Å; F540-Q545 HydrophobicContact CZ-CG 4.01Å; F540-Q545 VanDerWaalsContact O-CB 3.29Å; F540-Q545 WeakPolarHBondContact O-CB 3.38Å; F540-Q545 PolarHBondContact O-N 2.65Å; E543-Q545 HydrophobicContact CB-CG 4.29Å; E543-Q545 PolarHBondContact O-N 2.95Å; E543-Q545 VanDerWaalsContact O-N 3.13Å; E543-Q545 PolarHBondContact O-NE2 3.45Å
546	R	97.4	Very high	94.9	Very high	26 Å²	26	72.3 Å²	72.3	10%	0.098	36%	0.357	C	S	.	.			trans	-135.7	170.7	-178.6	-60.7	-62.1	-179	-78.6	-18.3	110.8	L541 D544 Y548 Y562 W565	L541-R546 PolarHBondContact O-NH1 3.33Å; D544-R546 VanDerWaalsContact C-NH1 3.26Å; D544-R546 IonicContact OD1-CZ 3.99Å; D544-R546 IonicContact OD1-NH1 3.05Å; D544-R546 IonicContact OD1-NH2 3.55Å; D544-R546 PolarHBondContact OD1-NH2 3.32Å; R546-Y548 PolarHBondContact O-N 2.99Å; R546-Y562 HydrophobicContact CB-CD2 4.49Å; R546-Y562 HydrophobicContact CB-CE2 4.27Å; R546-Y562 HydrophobicContact CG-CD2 4.34Å; R546-Y562 HydrophobicContact CG-CE2 3.87Å; R546-W565 HydrophobicContact CB-CE3 4.1Å; R546-W565 HydrophobicContact CG-CE3 4.48Å; R546-W565 PolarHBondContact NE-O 3.42Å; R546-W565 PolarHBondContact NH2-O 3.32Å
547	L	97.9	Very high	95	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.016	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-58.6	137.4	169.6	-70.3	166.6	0	0	0	110.1	V516 W519 P528 Y529 Y558 W565	V516-L547 HydrophobicContact CG1-CD1 4.1Å; V516-L547 HydrophobicContact CG2-CD1 4.27Å; W519-L547 HydrophobicContact CB-CD1 3.96Å; W519-L547 HydrophobicContact CD2-CB 4.46Å; W519-L547 HydrophobicContact CD2-CD1 3.85Å; W519-L547 HydrophobicContact CD2-CD2 4.35Å; W519-L547 HydrophobicContact CD2-CG 4.43Å; W519-L547 HydrophobicContact CE3-CD1 4.23Å; W519-L547 HydrophobicContact CG-CB 4.21Å; W519-L547 HydrophobicContact CG-CD1 3.7Å; W519-L547 HydrophobicContact CG-CG 4.43Å; W519-L547 HydrophobicContact CZ2-CD2 4.35Å; P528-L547 HydrophobicContact CB-CD1 4.22Å; P528-L547 HydrophobicContact CB-CD2 4.04Å; Y529-L547 HydrophobicContact CD1-CD2 3.74Å; Y529-L547 HydrophobicContact CD1-CG 4.21Å; Y529-L547 HydrophobicContact CD2-CD2 3.75Å; Y529-L547 HydrophobicContact CD2-CG 4.14Å; Y529-L547 HydrophobicContact CE1-CD2 3.83Å; Y529-L547 HydrophobicContact CE1-CG 3.76Å; Y529-L547 HydrophobicContact CE2-CD1 4.01Å; Y529-L547 HydrophobicContact CE2-CD2 3.84Å; Y529-L547 HydrophobicContact CE2-CG 3.68Å; Y529-L547 HydrophobicContact CG-CD2 3.7Å; Y529-L547 HydrophobicContact CG-CG 4.38Å; Y529-L547 VanDerWaalsContact CZ-CG 3.48Å; Y529-L547 VanDerWaalsContact N-CD2 3.25Å; Y529-L547 PolarHBondContact OH-N 3.42Å; L547-Y558 PolarHBondContact O-OH 3.49Å; L547-W565 HydrophobicContact CB-CH2 3.76Å; L547-W565 HydrophobicContact CB-CZ2 4.35Å; L547-W565 HydrophobicContact CB-CZ3 4.05Å; L547-W565 HydrophobicContact CD1-CH2 4.01Å; L547-W565 HydrophobicContact CD1-CZ2 3.78Å; L547-W565 HydrophobicContact CG-CH2 4.41Å
548	Y	96.1	Very high	95.1	Very high	120 Å²	120	68.6 Å²	68.6	47%	0.471	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-67.2	156.5	174.6	64.5	-92.1	0	0	0	111.3	W519 R546 P550	W519-Y548 HydrophobicContact CZ2-CD1 4.46Å; W519-Y548 AromaticContact CZ2-CE1 3.78Å; W519-Y548 HydrophobicContact CZ2-CE1 3.78Å; W519-Y548 HydrophobicContact CZ2-CE2 4.12Å; W519-Y548 AromaticContact CZ2-CZ 3.59Å; W519-Y548 PolarHBondContact NE1-O 2.76Å; R546-Y548 PolarHBondContact O-N 2.99Å; Y548-P550 WeakPolarHBondContact O-CD 3.49Å
549	Q	97.6	Very high	95.2	Very high	68 Å²	68	68.5 Å²	68.5	32%	0.318	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-68	121.1	172.7	-177.9	172.2	4.3	0	0	110.8	C553 D555 Y558	Q549-C553 HydrophobicContact CG-CB 3.94Å; Q549-C553 PolarHBondContact NE2-O 3.49Å; Q549-D555 PolarHBondContact NE2-OD1 3.42Å; Q549-Y558 VanDerWaalsContact CA-CE2 3.46Å; Q549-Y558 HydrophobicContact CB-CD1 3.86Å; Q549-Y558 HydrophobicContact CB-CD2 3.71Å; Q549-Y558 HydrophobicContact CB-CE1 3.97Å; Q549-Y558 HydrophobicContact CB-CE2 3.82Å; Q549-Y558 HydrophobicContact CB-CG 3.72Å; Q549-Y558 HydrophobicContact CG-CD1 4.06Å; Q549-Y558 HydrophobicContact CG-CD2 3.95Å; Q549-Y558 HydrophobicContact CG-CG 3.66Å
550	P	94.3	Very high	95.3	Very high	8 Å²	8	67.2 Å²	67.2	5%	0.052	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-59.4	154.3	177.6	-23.2	33	0	0	0	112.7	W519 V522 Y548 N552 C553	W519-P550 HydrophobicContact CG-CG 4.26Å; V522-P550 HydrophobicContact CB-CB 4.49Å; V522-P550 HydrophobicContact CB-CG 4.26Å; V522-P550 HydrophobicContact CG1-CB 3.96Å; V522-P550 HydrophobicContact CG1-CG 4.17Å; Y548-P550 WeakPolarHBondContact O-CD 3.49Å; P550-N552 PolarHBondContact O-N 3.42Å; P550-C553 HydrophobicContact CB-CB 4.11Å; P550-C553 HydrophobicContact CG-CB 4.37Å; P550-C553 WeakPolarHBondContact O-CB 2.99Å; P550-C553 PolarHBondContact O-N 3.14Å; P550-C553 VanDerWaalsContact O-N 3.09Å
551	Y	89	Confident	95.4	Very high	202 Å²	202	64.5 Å²	64.5	79%	0.792	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	136.9	174.5	-169.6	-102.1	0	0	0	110.9	C553	Y551-C553 PolarHBondContact O-N 3.26Å
552	N	84.6	Confident	95.4	Very high	126 Å²	126	69.3 Å²	69.3	67%	0.674	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	12.7	-173.7	-58.5	-32.1	0	0	0	115.8	P550 P554	P550-N552 PolarHBondContact O-N 3.42Å; N552-P554 WeakPolarHBondContact O-CD 3.49Å
553	C	93.4	Very high	95.5	Very high	8 Å²	8	67.2 Å²	67.2	5%	0.054	33%	0.328	C	S	.	.			trans	-74.7	124.4	171.4	-174.7	0	0	0	0	110.1	V522 Q549 P550 Y551	V522-C553 HydrophobicContact CG1-CB 3.72Å; Q549-C553 HydrophobicContact CG-CB 3.94Å; Q549-C553 PolarHBondContact NE2-O 3.49Å; P550-C553 HydrophobicContact CB-CB 4.11Å; P550-C553 HydrophobicContact CG-CB 4.37Å; P550-C553 WeakPolarHBondContact O-CB 2.99Å; P550-C553 PolarHBondContact O-N 3.14Å; P550-C553 VanDerWaalsContact O-N 3.09Å; Y551-C553 PolarHBondContact O-N 3.26Å
554	P	94.2	Very high	95.7	Very high	41 Å²	41	60.7 Å²	60.7	27%	0.266	30%	0.297	S	S	.	.			trans	-62	138.3	174.4	-25	37	0	0	0	112.4	T425 N552 E556 L557 Y558 F585	T425-P554 HydrophobicContact CG2-CG 4.01Å; N552-P554 WeakPolarHBondContact O-CD 3.49Å; P554-E556 PolarHBondContact O-N 2.85Å; P554-E556 VanDerWaalsContact O-N 3.16Å; P554-L557 PolarHBondContact O-N 3Å; P554-Y558 PolarHBondContact O-N 3.15Å; P554-F585 HydrophobicContact CB-CE2 4.3Å; P554-F585 HydrophobicContact CB-CZ 3.77Å; P554-F585 HydrophobicContact CG-CZ 3.94Å
555	D	95.9	Very high	95.9	Very high	123 Å²	123	56.8 Å²	56.8	66%	0.658	28%	0.276	S	S	*	.	H	α-helix	trans	-55.2	-37.4	-176.3	-65.1	-14.4	0	0	0	113.1	Q549 Y558 G559	Q549-D555 PolarHBondContact NE2-OD1 3.42Å; D555-Y558 PolarHBondContact O-N 3.05Å; D555-G559 PolarHBondContact O-N 3.4Å
556	E	95.1	Very high	96	Very high	102 Å²	102	55.2 Å²	55.2	48%	0.477	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-40.9	178.4	-178.7	164.9	-150.1	0	0	112.5	P554 G559 L560 F585 R588	P554-E556 PolarHBondContact O-N 2.85Å; P554-E556 VanDerWaalsContact O-N 3.16Å; E556-G559 PolarHBondContact O-N 3.38Å; E556-L560 PolarHBondContact O-N 3.07Å; E556-L560 VanDerWaalsContact O-N 3.11Å; E556-F585 HydrophobicContact CB-CD2 4.24Å; E556-F585 HydrophobicContact CB-CE2 4.01Å; E556-F585 HydrophobicContact CG-CD2 3.97Å; E556-F585 HydrophobicContact CG-CE2 4.26Å; E556-F585 VanDerWaalsContact OE2-CD2 3.29Å; E556-F585 WeakPolarHBondContact OE2-CD2 3.49Å; E556-R588 IonicContact OE1-CZ 3.59Å; E556-R588 IonicContact OE1-NH2 2.62Å; E556-R588 PolarHBondContact OE1-NH2 2.96Å; E556-R588 IonicContact OE2-CZ 3.48Å; E556-R588 IonicContact OE2-NE 3.29Å; E556-R588 IonicContact OE2-NH2 2.77Å; E556-R588 PolarHBondContact OE2-NH2 3.22Å
557	L	96.5	Very high	95.9	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-41.4	176.7	-177.5	60.3	0	0	0	110.7	V429 V522 P554 G559 L560 M561 L582 F585	V429-L557 HydrophobicContact CG2-CD2 4.11Å; V522-L557 HydrophobicContact CG2-CD2 3.78Å; P554-L557 PolarHBondContact O-N 3Å; L557-G559 VanDerWaalsContact C-N 3.33Å; L557-L560 WeakPolarHBondContact O-CB 3.47Å; L557-L560 PolarHBondContact O-N 3.31Å; L557-M561 HydrophobicContact CD2-CE 4.14Å; L557-M561 HydrophobicContact CG-CE 3.82Å; L557-M561 WeakPolarHBondContact O-CG 3.43Å; L557-M561 PolarHBondContact O-N 3.48Å; L557-M561 VanDerWaalsContact O-N 3.14Å; L557-L582 HydrophobicContact CD1-CD2 4.05Å; L557-F585 HydrophobicContact CB-CE1 3.84Å; L557-F585 HydrophobicContact CB-CZ 3.99Å; L557-F585 HydrophobicContact CD1-CD1 4.42Å; L557-F585 HydrophobicContact CD1-CE1 4.34Å; L557-F585 HydrophobicContact CD2-CE1 4.22Å; L557-F585 HydrophobicContact CG-CE1 4.35Å
558	Y	98.4	Very high	95.8	Very high	41 Å²	41	61.7 Å²	61.7	16%	0.161	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-37.9	173.9	-177.5	-110.3	0	0	0	112.2	L547 Q549 P554 D555 L560 M561 Y562 W565	L547-Y558 PolarHBondContact O-OH 3.49Å; Q549-Y558 VanDerWaalsContact CA-CE2 3.46Å; Q549-Y558 HydrophobicContact CB-CD1 3.86Å; Q549-Y558 HydrophobicContact CB-CD2 3.71Å; Q549-Y558 HydrophobicContact CB-CE1 3.97Å; Q549-Y558 HydrophobicContact CB-CE2 3.82Å; Q549-Y558 HydrophobicContact CB-CG 3.72Å; Q549-Y558 HydrophobicContact CG-CD1 4.06Å; Q549-Y558 HydrophobicContact CG-CD2 3.95Å; Q549-Y558 HydrophobicContact CG-CG 3.66Å; P554-Y558 PolarHBondContact O-N 3.15Å; D555-Y558 PolarHBondContact O-N 3.05Å; Y558-L560 VanDerWaalsContact C-N 3.25Å; Y558-L560 PolarHBondContact O-N 3.27Å; Y558-M561 HydrophobicContact CD2-SD 4.23Å; Y558-M561 WeakPolarHBondContact O-CB 2.97Å; Y558-M561 PolarHBondContact O-N 3.44Å; Y558-M561 VanDerWaalsContact O-N 3.09Å; Y558-Y562 WeakPolarHBondContact O-CB 3.35Å; Y558-Y562 PolarHBondContact O-N 3.43Å; Y558-W565 HydrophobicContact CE2-CZ3 4.05Å
559	G	98	Very high	95.9	Very high	30 Å²	30	57 Å²	57	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-57.2	-39.2	173.2	0	0	0	0	0	112.2	D555 E556 L557 Y562 C563	D555-G559 PolarHBondContact O-N 3.4Å; E556-G559 PolarHBondContact O-N 3.38Å; L557-G559 VanDerWaalsContact C-N 3.33Å; G559-Y562 PolarHBondContact O-N 3.32Å; G559-C563 PolarHBondContact O-N 2.91Å; G559-C563 PolarHBondContact O-SG 3.45Å
560	L	98	Very high	95.8	Very high	25 Å²	25	60.2 Å²	60.2	13%	0.131	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-44.2	173.4	-166.5	67.1	0	0	0	112.2	E556 L557 Y558 Y562 C563 C564 L578 A581 L582	E556-L560 PolarHBondContact O-N 3.07Å; E556-L560 VanDerWaalsContact O-N 3.11Å; L557-L560 WeakPolarHBondContact O-CB 3.47Å; L557-L560 PolarHBondContact O-N 3.31Å; Y558-L560 VanDerWaalsContact C-N 3.25Å; Y558-L560 PolarHBondContact O-N 3.27Å; L560-Y562 VanDerWaalsContact C-N 3.34Å; L560-Y562 PolarHBondContact O-N 3.45Å; L560-C563 PolarHBondContact O-N 3.48Å; L560-C564 PolarHBondContact O-N 2.92Å; L560-C564 PolarHBondContact O-SG 3.02Å; L560-C564 VanDerWaalsContact O-SG 3.37Å; L560-L578 HydrophobicContact CD1-CD2 3.65Å; L560-L578 HydrophobicContact CD2-CD2 4.12Å; L560-L578 HydrophobicContact CG-CD2 3.82Å; L560-A581 HydrophobicContact CD1-CB 3.81Å; L560-A581 HydrophobicContact CD2-CB 4.31Å; L560-L582 HydrophobicContact CD2-CD1 4.44Å; L560-L582 HydrophobicContact CD2-CD2 3.57Å; L560-L582 HydrophobicContact CD2-CG 3.65Å
561	M	98.5	Very high	95.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-46.1	175	-59.4	176.8	-167.6	0	0	111.2	L518 W519 V522 L557 Y558 C563 C564 W565	L518-M561 HydrophobicContact CB-CE 3.82Å; L518-M561 HydrophobicContact CB-CG 3.8Å; L518-M561 HydrophobicContact CB-SD 4.21Å; L518-M561 HydrophobicContact CD1-CG 3.98Å; W519-M561 HydrophobicContact CB-SD 4.09Å; V522-M561 HydrophobicContact CB-CE 4.27Å; V522-M561 HydrophobicContact CG2-CE 3.62Å; L557-M561 HydrophobicContact CD2-CE 4.14Å; L557-M561 HydrophobicContact CG-CE 3.82Å; L557-M561 WeakPolarHBondContact O-CG 3.43Å; L557-M561 PolarHBondContact O-N 3.48Å; L557-M561 VanDerWaalsContact O-N 3.14Å; Y558-M561 HydrophobicContact CD2-SD 4.23Å; Y558-M561 WeakPolarHBondContact O-CB 2.97Å; Y558-M561 PolarHBondContact O-N 3.44Å; Y558-M561 VanDerWaalsContact O-N 3.09Å; M561-C563 VanDerWaalsContact C-N 3.32Å; M561-C563 PolarHBondContact O-N 3.3Å; M561-C564 VanDerWaalsContact O-CB 3.27Å; M561-C564 WeakPolarHBondContact O-CB 3.45Å; M561-C564 PolarHBondContact O-N 3.28Å; M561-W565 HydrophobicContact CB-CH2 3.62Å; M561-W565 HydrophobicContact CB-CZ2 3.99Å; M561-W565 HydrophobicContact CB-CZ3 3.94Å; M561-W565 VanDerWaalsContact O-CD2 3.25Å; M561-W565 PolarHBondContact O-N 3.47Å; M561-W565 HydrophobicContact SD-CH2 4.4Å
562	Y	98.1	Very high	96.4	Very high	102 Å²	102	53.5 Å²	53.5	40%	0.4	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-38.6	179.7	-166.7	-90.8	0	0	0	111.9	R546 Y558 G559 L560 C564 W565	R546-Y562 HydrophobicContact CB-CD2 4.49Å; R546-Y562 HydrophobicContact CB-CE2 4.27Å; R546-Y562 HydrophobicContact CG-CD2 4.34Å; R546-Y562 HydrophobicContact CG-CE2 3.87Å; Y558-Y562 WeakPolarHBondContact O-CB 3.35Å; Y558-Y562 PolarHBondContact O-N 3.43Å; G559-Y562 PolarHBondContact O-N 3.32Å; L560-Y562 VanDerWaalsContact C-N 3.34Å; L560-Y562 PolarHBondContact O-N 3.45Å; Y562-C564 VanDerWaalsContact C-N 3.3Å; Y562-C564 PolarHBondContact O-N 2.92Å; Y562-W565 PolarHBondContact O-N 2.94Å; Y562-W565 VanDerWaalsContact O-N 3.07Å
563	C	98.1	Very high	97	Very high	66 Å²	66	48.5 Å²	48.5	45%	0.446	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-33.8	173.5	-68.8	0	0	0	0	113	G559 L560 M561 W565 P573	G559-C563 PolarHBondContact O-N 2.91Å; G559-C563 PolarHBondContact O-SG 3.45Å; L560-C563 PolarHBondContact O-N 3.48Å; M561-C563 VanDerWaalsContact C-N 3.32Å; M561-C563 PolarHBondContact O-N 3.3Å; C563-W565 PolarHBondContact O-N 3.24Å; C563-P573 HydrophobicContact CB-CG 4.37Å; C563-P573 WeakPolarHBondContact O-CD 3.43Å
564	C	98.6	Very high	97.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-26.9	174	-64.3	0	0	0	0	112.6	V511 L560 M561 Y562 N566 R572	V511-C564 HydrophobicContact CG1-CB 3.96Å; V511-C564 WeakPolarHBondContact O-CB 3.38Å; L560-C564 PolarHBondContact O-N 2.92Å; L560-C564 PolarHBondContact O-SG 3.02Å; L560-C564 VanDerWaalsContact O-SG 3.37Å; M561-C564 VanDerWaalsContact O-CB 3.27Å; M561-C564 WeakPolarHBondContact O-CB 3.45Å; M561-C564 PolarHBondContact O-N 3.28Å; Y562-C564 VanDerWaalsContact C-N 3.3Å; Y562-C564 PolarHBondContact O-N 2.92Å; C564-N566 VanDerWaalsContact C-N 3.34Å; C564-N566 PolarHBondContact O-N 3.35Å; C564-R572 VanDerWaalsContact O-CD 3.28Å; C564-R572 WeakPolarHBondContact O-CD 3.37Å
565	W	98.4	Very high	97.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.008	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	29.4	-178.3	-49.7	-44	0	0	0	113.6	W512 G515 V516 W519 R546 L547 Y558 M561 Y562 C563	W512-W565 HydrophobicContact CD2-CB 4.45Å; W512-W565 AromaticContact CD2-CD1 3.85Å; W512-W565 AromaticContact CE2-CD1 3.91Å; W512-W565 HydrophobicContact CE3-CB 4.2Å; W512-W565 AromaticContact CG-CD1 3.99Å; W512-W565 HydrophobicContact CH2-CB 4.21Å; W512-W565 HydrophobicContact CZ2-CB 4.46Å; W512-W565 HydrophobicContact CZ3-CB 4.08Å; W512-W565 WeakPolarHBondContact CZ3-O 3.38Å; W512-W565 PolarHBondContact O-NE1 3.21Å; G515-W565 VanDerWaalsContact C-CZ2 3.46Å; G515-W565 VanDerWaalsContact O-CZ2 3.27Å; G515-W565 WeakPolarHBondContact O-CZ2 3.36Å; V516-W565 HydrophobicContact CG2-CZ2 4.48Å; W519-W565 HydrophobicContact CB-CH2 4.22Å; W519-W565 HydrophobicContact CB-CZ2 4.18Å; W519-W565 HydrophobicContact CG-CH2 4.5Å; R546-W565 HydrophobicContact CB-CE3 4.1Å; R546-W565 HydrophobicContact CG-CE3 4.48Å; R546-W565 PolarHBondContact NE-O 3.42Å; R546-W565 PolarHBondContact NH2-O 3.32Å; L547-W565 HydrophobicContact CB-CH2 3.76Å; L547-W565 HydrophobicContact CB-CZ2 4.35Å; L547-W565 HydrophobicContact CB-CZ3 4.05Å; L547-W565 HydrophobicContact CD1-CH2 4.01Å; L547-W565 HydrophobicContact CD1-CZ2 3.78Å; L547-W565 HydrophobicContact CG-CH2 4.41Å; Y558-W565 HydrophobicContact CE2-CZ3 4.05Å; M561-W565 HydrophobicContact CB-CH2 3.62Å; M561-W565 HydrophobicContact CB-CZ2 3.99Å; M561-W565 HydrophobicContact CB-CZ3 3.94Å; M561-W565 VanDerWaalsContact O-CD2 3.25Å; M561-W565 PolarHBondContact O-N 3.47Å; M561-W565 HydrophobicContact SD-CH2 4.4Å; Y562-W565 PolarHBondContact O-N 2.94Å; Y562-W565 VanDerWaalsContact O-N 3.07Å; C563-W565 PolarHBondContact O-N 3.24Å
566	N	97.8	Very high	97.4	Very high	60 Å²	60	44 Å²	44	32%	0.321	24%	0.239	S	C	.	.			trans	-67.4	136.4	169.4	-162.3	-60.9	0	0	0	110.2	C564 H568 A571 R572	C564-N566 VanDerWaalsContact C-N 3.34Å; C564-N566 PolarHBondContact O-N 3.35Å; N566-H568 PolarHBondContact O-N 2.81Å; N566-H568 PolarHBondContact OD1-N 3.47Å; N566-A571 HydrophobicContact CB-CB 4.3Å; N566-R572 HydrophobicContact CB-CG 3.97Å; N566-R572 PolarHBondContact O-NE 3.28Å; N566-R572 PolarHBondContact O-NH2 3.47Å; N566-R572 VanDerWaalsContact O-NH2 3.13Å
567	L	96.1	Very high	97.5	Very high	55 Å²	55	43.2 Å²	43.2	29%	0.288	24%	0.235	S	C	.	.	S	Bend	trans	-61.7	-33.4	178.4	-66.5	-178.7	0	0	0	112.2	L497 P569	L497-L567 HydrophobicContact CD2-CD2 3.89Å; L567-P569 WeakPolarHBondContact O-CD 3.36Å
568	H	95.7	Very high	97.6	Very high	111 Å²	111	43 Å²	43	51%	0.514	23%	0.234	S	C	.	.	S	Bend	trans	-86.8	114.8	178.4	-66.2	-70.6	0	0	0	110.5	N566 E570 A571	N566-H568 PolarHBondContact O-N 2.81Å; N566-H568 PolarHBondContact OD1-N 3.47Å; H568-E570 IonicContact CG-OE1 3.61Å; H568-E570 IonicContact ND1-OE1 3.37Å; H568-E570 PolarHBondContact O-N 3.41Å; H568-A571 HydrophobicContact CB-CB 3.99Å; H568-A571 PolarHBondContact O-N 2.87Å
569	P	97.4	Very high	97.5	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.143	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55	-35.4	-178.7	-27.5	36.7	0	0	0	113.8	I293 E498 A508 L567 A571 R572	I293-P569 HydrophobicContact CD1-CB 3.82Å; E498-P569 HydrophobicContact CG-CG 4.35Å; A508-P569 HydrophobicContact CB-CB 3.77Å; L567-P569 WeakPolarHBondContact O-CD 3.36Å; P569-A571 VanDerWaalsContact C-N 3.3Å; P569-A571 PolarHBondContact O-N 2.75Å; P569-R572 WeakPolarHBondContact O-CB 3.49Å; P569-R572 PolarHBondContact O-N 2.83Å
570	E	96.2	Very high	97.5	Very high	134 Å²	134	44.6 Å²	44.6	63%	0.626	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-74.1	-15.7	179.4	70.5	-80.1	-172.4	0	0	114.9	I293 H568	I293-E570 HydrophobicContact CD1-CB 4.17Å; H568-E570 IonicContact CG-OE1 3.61Å; H568-E570 IonicContact ND1-OE1 3.37Å; H568-E570 PolarHBondContact O-N 3.41Å
571	A	96.5	Very high	97.5	Very high	55 Å²	55	45.1 Å²	45.1	46%	0.455	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-90.7	-10.3	175	0	0	0	0	0	112.4	N566 H568 P569	N566-A571 HydrophobicContact CB-CB 4.3Å; H568-A571 HydrophobicContact CB-CB 3.99Å; H568-A571 PolarHBondContact O-N 2.87Å; P569-A571 VanDerWaalsContact C-N 3.3Å; P569-A571 PolarHBondContact O-N 2.75Å
572	R	98.1	Very high	97.5	Very high	14 Å²	14	45.1 Å²	45.1	5%	0.053	25%	0.249	C	C	.	.	S	Bend	trans	-74.9	145.9	176.7	-59.9	176.5	-165.9	151.6	10.9	110.3	E498 A508 V511 C564 N566 P569	E498-R572 IonicContact OE1-CZ 3.7Å; E498-R572 IonicContact OE1-NH1 3.59Å; E498-R572 PolarHBondContact OE1-NH1 3.23Å; E498-R572 IonicContact OE1-NH2 3.41Å; E498-R572 PolarHBondContact OE1-NH2 3.45Å; E498-R572 IonicContact OE2-CZ 3.86Å; E498-R572 IonicContact OE2-NH1 3.78Å; E498-R572 IonicContact OE2-NH2 2.74Å; E498-R572 PolarHBondContact OE2-NH2 3.26Å; A508-R572 VanDerWaalsContact C-NH1 3.33Å; A508-R572 WeakPolarHBondContact O-CD 3.35Å; A508-R572 PolarHBondContact O-NH1 2.95Å; V511-R572 HydrophobicContact CG1-CB 4.02Å; C564-R572 VanDerWaalsContact O-CD 3.28Å; C564-R572 WeakPolarHBondContact O-CD 3.37Å; N566-R572 HydrophobicContact CB-CG 3.97Å; N566-R572 PolarHBondContact O-NE 3.28Å; N566-R572 PolarHBondContact O-NH2 3.47Å; N566-R572 VanDerWaalsContact O-NH2 3.13Å; P569-R572 WeakPolarHBondContact O-CB 3.49Å; P569-R572 PolarHBondContact O-N 2.83Å
573	P	97.7	Very high	97.5	Very high	21 Å²	21	43.8 Å²	43.8	14%	0.136	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-66.2	138.3	173.9	29.5	-36	0	0	0	110.7	V511 C563 Q577 L578	V511-P573 HydrophobicContact CG1-CG 4.42Å; V511-P573 WeakPolarHBondContact CG1-O 3.33Å; V511-P573 WeakPolarHBondContact CG2-O 3.22Å; C563-P573 HydrophobicContact CB-CG 4.37Å; C563-P573 WeakPolarHBondContact O-CD 3.43Å; P573-Q577 HydrophobicContact CB-CB 4.16Å; P573-L578 HydrophobicContact CB-CD2 3.97Å; P573-L578 HydrophobicContact CB-CG 4.02Å; P573-L578 HydrophobicContact CG-CD1 4.49Å; P573-L578 HydrophobicContact CG-CD2 3.47Å; P573-L578 VanDerWaalsContact CG-CD2 3.47Å; P573-L578 HydrophobicContact CG-CG 3.89Å
574	S	96.9	Very high	97.4	Very high	25 Å²	25	44.4 Å²	44.4	18%	0.175	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-71	159.1	170.1	62.5	0	0	0	0	111.5	P576 Q577 L578	S574-P576 VanDerWaalsContact C-CD 3.49Å; S574-P576 VanDerWaalsContact C-N 3.32Å; S574-Q577 WeakPolarHBondContact O-CA 3.46Å; S574-Q577 WeakPolarHBondContact O-CB 3.34Å; S574-Q577 PolarHBondContact O-N 3.48Å; S574-Q577 WeakPolarHBondContact OG-CG 3.49Å; S574-Q577 PolarHBondContact OG-OE1 3.28Å; S574-L578 PolarHBondContact O-N 3Å
575	C	97.4	Very high	97.3	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-52.7	-40.2	175.8	-66.2	0	0	0	0	113.9	L440 H443 Q577 L578 M579	L440-C575 HydrophobicContact CB-CB 3.99Å; L440-C575 HydrophobicContact CD1-CB 4.03Å; H443-C575 PolarHBondContact ND1-SG 2.73Å; C575-Q577 VanDerWaalsContact C-N 3.32Å; C575-Q577 PolarHBondContact O-N 3.38Å; C575-L578 PolarHBondContact O-N 2.97Å; C575-M579 WeakPolarHBondContact O-CB 3.31Å; C575-M579 VanDerWaalsContact O-CG 3.28Å; C575-M579 WeakPolarHBondContact O-CG 3.04Å; C575-M579 PolarHBondContact O-N 2.91Å
576	P	97.5	Very high	97.1	Very high	51 Å²	51	48 Å²	48	33%	0.331	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-36.2	172.6	-25.6	36.1	0	0	0	114.2	L440 S574 V580	L440-P576 HydrophobicContact CD1-CG 3.76Å; S574-P576 VanDerWaalsContact C-CD 3.49Å; S574-P576 VanDerWaalsContact C-N 3.32Å; P576-V580 WeakPolarHBondContact O-CG2 3.46Å; P576-V580 PolarHBondContact O-N 2.97Å
577	Q	97.7	Very high	96.9	Very high	85 Å²	85	48 Å²	48	40%	0.397	27%	0.265	S	S	.	.	H	α-helix	trans	-71.8	-41.4	176.3	-70.2	166.1	-54.9	0	0	111.3	P573 S574 C575 M579 V580 A581	P573-Q577 HydrophobicContact CB-CB 4.16Å; S574-Q577 WeakPolarHBondContact O-CA 3.46Å; S574-Q577 WeakPolarHBondContact O-CB 3.34Å; S574-Q577 PolarHBondContact O-N 3.48Å; S574-Q577 WeakPolarHBondContact OG-CG 3.49Å; S574-Q577 PolarHBondContact OG-OE1 3.28Å; C575-Q577 VanDerWaalsContact C-N 3.32Å; C575-Q577 PolarHBondContact O-N 3.38Å; Q577-M579 VanDerWaalsContact C-N 3.33Å; Q577-M579 PolarHBondContact O-N 2.99Å; Q577-V580 PolarHBondContact O-N 3.5Å; Q577-A581 WeakPolarHBondContact O-CB 3.23Å; Q577-A581 PolarHBondContact O-N 3.11Å
578	L	98.2	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-43.4	173.3	-71.2	173	0	0	0	111.6	V511 F514 L560 P573 S574 C575 A581 L582	V511-L578 HydrophobicContact CG1-CD1 4.1Å; V511-L578 HydrophobicContact CG2-CD1 4.1Å; F514-L578 HydrophobicContact CD1-CD1 3.73Å; F514-L578 HydrophobicContact CE1-CD1 3.91Å; F514-L578 HydrophobicContact CE1-CD2 4.49Å; L560-L578 HydrophobicContact CD1-CD2 3.65Å; L560-L578 HydrophobicContact CD2-CD2 4.12Å; L560-L578 HydrophobicContact CG-CD2 3.82Å; P573-L578 HydrophobicContact CB-CD2 3.97Å; P573-L578 HydrophobicContact CB-CG 4.02Å; P573-L578 HydrophobicContact CG-CD1 4.49Å; P573-L578 HydrophobicContact CG-CD2 3.47Å; P573-L578 VanDerWaalsContact CG-CD2 3.47Å; P573-L578 HydrophobicContact CG-CG 3.89Å; S574-L578 PolarHBondContact O-N 3Å; C575-L578 PolarHBondContact O-N 2.97Å; L578-A581 PolarHBondContact O-N 3.37Å; L578-L582 WeakPolarHBondContact O-CB 3.5Å; L578-L582 VanDerWaalsContact O-CG 3.3Å; L578-L582 WeakPolarHBondContact O-CG 3.45Å; L578-L582 PolarHBondContact O-N 3.27Å
579	M	97.6	Very high	96.4	Very high	14 Å²	14	45.5 Å²	45.5	7%	0.069	25%	0.25	C	C	.	.	H	α-helix	trans	-55.6	-52.1	175.2	-81.1	-59.1	-50.6	0	0	111.5	L433 C436 R437 L440 C575 Q577 A581 L582 E583	L433-M579 HydrophobicContact CD2-CE 3.9Å; L433-M579 HydrophobicContact CD2-SD 4.35Å; C436-M579 HydrophobicContact CB-CG 4.4Å; C436-M579 HydrophobicContact CB-SD 3.58Å; C436-M579 VanDerWaalsContact CB-SD 3.58Å; R437-M579 HydrophobicContact CB-SD 4.37Å; R437-M579 HydrophobicContact CG-CE 3.38Å; R437-M579 HydrophobicContact CG-SD 3.51Å; R437-M579 VanDerWaalsContact CG-SD 3.51Å; L440-M579 HydrophobicContact CD2-CG 4.32Å; C575-M579 WeakPolarHBondContact O-CB 3.31Å; C575-M579 VanDerWaalsContact O-CG 3.28Å; C575-M579 WeakPolarHBondContact O-CG 3.04Å; C575-M579 PolarHBondContact O-N 2.91Å; Q577-M579 VanDerWaalsContact C-N 3.33Å; Q577-M579 PolarHBondContact O-N 2.99Å; M579-A581 PolarHBondContact O-N 3.03Å; M579-L582 PolarHBondContact O-N 3.03Å; M579-E583 HydrophobicContact CE-CG 4.2Å; M579-E583 WeakPolarHBondContact CE-OE1 3.27Å; M579-E583 WeakPolarHBondContact O-CB 3.31Å; M579-E583 VanDerWaalsContact O-CG 3.27Å; M579-E583 WeakPolarHBondContact O-CG 3.07Å; M579-E583 PolarHBondContact O-N 3.11Å
580	V	97.8	Very high	95.7	Very high	92 Å²	92	47.4 Å²	47.4	56%	0.558	26%	0.261	S	S	*	.	H	α-helix	trans	-60.6	-45.2	179.1	172.4	0	0	0	0	111.3	P576 Q577 E583 D584	P576-V580 WeakPolarHBondContact O-CG2 3.46Å; P576-V580 PolarHBondContact O-N 2.97Å; Q577-V580 PolarHBondContact O-N 3.5Å; V580-E583 PolarHBondContact O-N 2.91Å; V580-D584 WeakPolarHBondContact O-CB 3.31Å; V580-D584 PolarHBondContact O-N 2.97Å
581	A	97.9	Very high	95	Very high	36 Å²	36	47.4 Å²	47.4	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-43.2	180	0	0	0	0	0	112.4	L560 Q577 L578 M579 F585	L560-A581 HydrophobicContact CD1-CB 3.81Å; L560-A581 HydrophobicContact CD2-CB 4.31Å; Q577-A581 WeakPolarHBondContact O-CB 3.23Å; Q577-A581 PolarHBondContact O-N 3.11Å; L578-A581 PolarHBondContact O-N 3.37Å; M579-A581 PolarHBondContact O-N 3.03Å; A581-F585 VanDerWaalsContact O-CB 3.3Å; A581-F585 WeakPolarHBondContact O-CB 3.29Å; A581-F585 PolarHBondContact O-N 2.69Å
582	L	98	Very high	93.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.4	-37.8	178.1	-72.5	168	0	0	0	112.2	V429 A432 L433 C436 F514 L557 L560 L578 M579 F585 Y586	V429-L582 HydrophobicContact CG1-CD2 4.49Å; A432-L582 HydrophobicContact CB-CD1 4.39Å; A432-L582 HydrophobicContact CB-CD2 4.4Å; L433-L582 HydrophobicContact CD2-CB 3.42Å; L433-L582 VanDerWaalsContact CD2-CB 3.42Å; L433-L582 HydrophobicContact CD2-CD1 4.46Å; L433-L582 HydrophobicContact CG-CB 3.94Å; C436-L582 HydrophobicContact CB-CD1 4.17Å; F514-L582 HydrophobicContact CE1-CD1 4.23Å; F514-L582 HydrophobicContact CZ-CD1 3.86Å; L557-L582 HydrophobicContact CD1-CD2 4.05Å; L560-L582 HydrophobicContact CD2-CD1 4.44Å; L560-L582 HydrophobicContact CD2-CD2 3.57Å; L560-L582 HydrophobicContact CD2-CG 3.65Å; L578-L582 WeakPolarHBondContact O-CB 3.5Å; L578-L582 VanDerWaalsContact O-CG 3.3Å; L578-L582 WeakPolarHBondContact O-CG 3.45Å; L578-L582 PolarHBondContact O-N 3.27Å; M579-L582 PolarHBondContact O-N 3.03Å; L582-F585 PolarHBondContact O-N 2.98Å; L582-Y586 VanDerWaalsContact O-CB 3.22Å; L582-Y586 WeakPolarHBondContact O-CB 3.34Å; L582-Y586 PolarHBondContact O-N 2.8Å
583	E	97.3	Very high	90.9	Very high	73 Å²	73	62.7 Å²	62.7	34%	0.341	32%	0.324	S	S	.	.	H	α-helix	trans	-68	-40.6	178.1	-73.9	179.7	163.8	0	0	111.5	L433 R437 M579 V580 S587	L433-E583 HydrophobicContact CD1-CG 4.38Å; L433-E583 HydrophobicContact CD2-CB 4.45Å; L433-E583 HydrophobicContact CD2-CG 3.49Å; L433-E583 VanDerWaalsContact CD2-CG 3.49Å; R437-E583 IonicContact CZ-OE1 2.82Å; R437-E583 IonicContact NE-OE1 2.96Å; R437-E583 IonicContact NH2-OE1 3.48Å; R437-E583 PolarHBondContact NH2-OE1 2.72Å; M579-E583 HydrophobicContact CE-CG 4.2Å; M579-E583 WeakPolarHBondContact CE-OE1 3.27Å; M579-E583 WeakPolarHBondContact O-CB 3.31Å; M579-E583 VanDerWaalsContact O-CG 3.27Å; M579-E583 WeakPolarHBondContact O-CG 3.07Å; M579-E583 PolarHBondContact O-N 3.11Å; V580-E583 PolarHBondContact O-N 2.91Å; E583-S587 WeakPolarHBondContact O-CB 3.31Å; E583-S587 PolarHBondContact O-N 3.35Å; E583-S587 PolarHBondContact O-OG 3.14Å
584	D	96.6	Very high	90.6	Very high	80 Å²	80	64.8 Å²	64.8	43%	0.428	33%	0.333	S	S	.	.	H	α-helix	trans	-64.1	-46.4	173.8	-179	46	0	0	0	111.3	V580 Y586 S587 R588	V580-D584 WeakPolarHBondContact O-CB 3.31Å; V580-D584 PolarHBondContact O-N 2.97Å; D584-Y586 PolarHBondContact O-N 3.28Å; D584-S587 PolarHBondContact O-N 2.93Å; D584-R588 PolarHBondContact O-N 3.39Å; D584-R588 IonicContact OD1-NH1 3.3Å; D584-R588 PolarHBondContact OD1-NH1 3.39Å; D584-R588 IonicContact OD2-CZ 3.39Å; D584-R588 IonicContact OD2-NH1 2.65Å; D584-R588 PolarHBondContact OD2-NH1 2.88Å; D584-R588 IonicContact OD2-NH2 3.36Å; D584-R588 PolarHBondContact OD2-NH2 3.02Å
585	F	95.9	Very high	90.2	Very high	14 Å²	14	66.9 Å²	66.9	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-46.9	175.7	-175.6	-114.5	0	0	0	112.4	V429 P554 E556 L557 A581 L582 S587 R588 L589	V429-F585 HydrophobicContact CG1-CD1 4.07Å; V429-F585 HydrophobicContact CG2-CD1 3.79Å; V429-F585 HydrophobicContact CG2-CE1 3.64Å; P554-F585 HydrophobicContact CB-CE2 4.3Å; P554-F585 HydrophobicContact CB-CZ 3.77Å; P554-F585 HydrophobicContact CG-CZ 3.94Å; E556-F585 HydrophobicContact CB-CD2 4.24Å; E556-F585 HydrophobicContact CB-CE2 4.01Å; E556-F585 HydrophobicContact CG-CD2 3.97Å; E556-F585 HydrophobicContact CG-CE2 4.26Å; E556-F585 VanDerWaalsContact OE2-CD2 3.29Å; E556-F585 WeakPolarHBondContact OE2-CD2 3.49Å; L557-F585 HydrophobicContact CB-CE1 3.84Å; L557-F585 HydrophobicContact CB-CZ 3.99Å; L557-F585 HydrophobicContact CD1-CD1 4.42Å; L557-F585 HydrophobicContact CD1-CE1 4.34Å; L557-F585 HydrophobicContact CD2-CE1 4.22Å; L557-F585 HydrophobicContact CG-CE1 4.35Å; A581-F585 VanDerWaalsContact O-CB 3.3Å; A581-F585 WeakPolarHBondContact O-CB 3.29Å; A581-F585 PolarHBondContact O-N 2.69Å; L582-F585 PolarHBondContact O-N 2.98Å; F585-S587 VanDerWaalsContact C-N 3.34Å; F585-S587 PolarHBondContact O-N 3.49Å; F585-R588 PolarHBondContact O-N 2.9Å; F585-L589 HydrophobicContact CD1-CD1 3.95Å; F585-L589 HydrophobicContact CD1-CG 4.43Å; F585-L589 HydrophobicContact CE1-CD1 3.53Å; F585-L589 HydrophobicContact CE1-CD2 4.46Å; F585-L589 HydrophobicContact CE1-CG 4.09Å; F585-L589 HydrophobicContact CE2-CD2 4.5Å; F585-L589 HydrophobicContact CE2-CG 4.49Å; F585-L589 HydrophobicContact CZ-CD1 3.99Å; F585-L589 HydrophobicContact CZ-CD2 4.06Å; F585-L589 HydrophobicContact CZ-CG 4.1Å; F585-L589 WeakPolarHBondContact O-CG 3.25Å; F585-L589 PolarHBondContact O-N 3.43Å
586	Y	95.3	Very high	89.8	Confident	63 Å²	63	70.4 Å²	70.4	25%	0.247	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-42.7	176.4	-175.4	-102.2	0	0	0	112.1	Q426 V429 L430 L433 L582 D584 R588 L589 T590	Q426-Y586 HydrophobicContact CB-CE2 4.18Å; Q426-Y586 WeakPolarHBondContact O-CE2 3.37Å; V429-Y586 HydrophobicContact CB-CD2 4.16Å; V429-Y586 HydrophobicContact CG1-CD2 3.88Å; V429-Y586 HydrophobicContact CG1-CG 4.3Å; L430-Y586 HydrophobicContact CB-CE2 3.93Å; L433-Y586 HydrophobicContact CD1-CD1 4.43Å; L433-Y586 HydrophobicContact CD1-CD2 4.49Å; L433-Y586 HydrophobicContact CD1-CG 4.04Å; L582-Y586 VanDerWaalsContact O-CB 3.22Å; L582-Y586 WeakPolarHBondContact O-CB 3.34Å; L582-Y586 PolarHBondContact O-N 2.8Å; D584-Y586 PolarHBondContact O-N 3.28Å; Y586-R588 VanDerWaalsContact C-N 3.31Å; Y586-R588 PolarHBondContact O-N 2.97Å; Y586-L589 PolarHBondContact O-N 2.89Å; Y586-T590 HydrophobicContact CD1-CG2 4.49Å; Y586-T590 HydrophobicContact CE1-CG2 4.09Å; Y586-T590 PolarHBondContact O-N 3.46Å; Y586-T590 VanDerWaalsContact O-N 3.11Å; Y586-T590 PolarHBondContact O-OG1 3.39Å
587	S	94	Very high	89.4	Confident	61 Å²	61	71.6 Å²	71.6	43%	0.427	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-40.8	176.7	-59.6	0	0	0	0	111.1	E583 D584 F585 T590 L591	E583-S587 WeakPolarHBondContact O-CB 3.31Å; E583-S587 PolarHBondContact O-N 3.35Å; E583-S587 PolarHBondContact O-OG 3.14Å; D584-S587 PolarHBondContact O-N 2.93Å; F585-S587 VanDerWaalsContact C-N 3.34Å; F585-S587 PolarHBondContact O-N 3.49Å; S587-T590 PolarHBondContact O-N 3.2Å; S587-T590 PolarHBondContact O-OG1 3.14Å; S587-L591 WeakPolarHBondContact O-CG 3.43Å; S587-L591 PolarHBondContact O-N 3.38Å
588	R	92.2	Very high	88.9	Confident	74 Å²	74	70.8 Å²	70.8	28%	0.279	36%	0.359	S	S	.	.	H	α-helix	trans	-66.3	-41.4	173.7	-74.3	-164.4	-67	-89.9	-11.1	113.1	E556 D584 F585 Y586 T590 L591 Y592	E556-R588 IonicContact OE1-CZ 3.59Å; E556-R588 IonicContact OE1-NH2 2.62Å; E556-R588 PolarHBondContact OE1-NH2 2.96Å; E556-R588 IonicContact OE2-CZ 3.48Å; E556-R588 IonicContact OE2-NE 3.29Å; E556-R588 IonicContact OE2-NH2 2.77Å; E556-R588 PolarHBondContact OE2-NH2 3.22Å; D584-R588 PolarHBondContact O-N 3.39Å; D584-R588 IonicContact OD1-NH1 3.3Å; D584-R588 PolarHBondContact OD1-NH1 3.39Å; D584-R588 IonicContact OD2-CZ 3.39Å; D584-R588 IonicContact OD2-NH1 2.65Å; D584-R588 PolarHBondContact OD2-NH1 2.88Å; D584-R588 IonicContact OD2-NH2 3.36Å; D584-R588 PolarHBondContact OD2-NH2 3.02Å; F585-R588 PolarHBondContact O-N 2.9Å; Y586-R588 VanDerWaalsContact C-N 3.31Å; Y586-R588 PolarHBondContact O-N 2.97Å; R588-T590 PolarHBondContact O-N 2.9Å; R588-L591 PolarHBondContact O-N 3Å; R588-Y592 VanDerWaalsContact O-CD2 3.26Å; R588-Y592 WeakPolarHBondContact O-CD2 3.46Å
589	L	88.8	Confident	88.2	Confident	39 Å²	39	75.5 Å²	75.5	20%	0.204	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-31.7	177.1	-72.3	177	0	0	0	112.5	T425 Q426 V429 F585 Y586	T425-L589 HydrophobicContact CG2-CD1 4.02Å; Q426-L589 HydrophobicContact CG-CB 3.88Å; Q426-L589 HydrophobicContact CG-CD1 4.36Å; Q426-L589 PolarHBondContact NE2-O 2.81Å; V429-L589 HydrophobicContact CB-CD1 4.37Å; V429-L589 HydrophobicContact CG2-CD1 3.87Å; F585-L589 HydrophobicContact CD1-CD1 3.95Å; F585-L589 HydrophobicContact CD1-CG 4.43Å; F585-L589 HydrophobicContact CE1-CD1 3.53Å; F585-L589 HydrophobicContact CE1-CD2 4.46Å; F585-L589 HydrophobicContact CE1-CG 4.09Å; F585-L589 HydrophobicContact CE2-CD2 4.5Å; F585-L589 HydrophobicContact CE2-CG 4.49Å; F585-L589 HydrophobicContact CZ-CD1 3.99Å; F585-L589 HydrophobicContact CZ-CD2 4.06Å; F585-L589 HydrophobicContact CZ-CG 4.1Å; F585-L589 WeakPolarHBondContact O-CG 3.25Å; F585-L589 PolarHBondContact O-N 3.43Å; Y586-L589 PolarHBondContact O-N 2.89Å
590	T	82.8	Confident	87.6	Confident	61 Å²	61	79.9 Å²	79.9	37%	0.374	41%	0.405	S	S	.	.	H	α-helix	trans	-81.6	-12.1	178.6	55	0	0	0	0	114	Y586 S587 R588	Y586-T590 HydrophobicContact CD1-CG2 4.49Å; Y586-T590 HydrophobicContact CE1-CG2 4.09Å; Y586-T590 PolarHBondContact O-N 3.46Å; Y586-T590 VanDerWaalsContact O-N 3.11Å; Y586-T590 PolarHBondContact O-OG1 3.39Å; S587-T590 PolarHBondContact O-N 3.2Å; S587-T590 PolarHBondContact O-OG1 3.14Å; R588-T590 PolarHBondContact O-N 2.9Å
591	L	80.7	Confident	86.8	Confident	135 Å²	135	78.9 Å²	78.9	71%	0.707	39%	0.394	S	S	*	.	H	α-helix	trans	-85	-18.8	175.9	-70.8	172.3	0	0	0	114.2	S587 R588	S587-L591 WeakPolarHBondContact O-CG 3.43Å; S587-L591 PolarHBondContact O-N 3.38Å; R588-L591 PolarHBondContact O-N 3Å
592	Y	60.9	Low	85.9	Confident	205 Å²	205	82.5 Å²	82.5	80%	0.804	40%	0.402	S	S	*	.			trans	-100.8	15.8	-175.6	-70.6	-75.6	0	0	0	114.3	R588	R588-Y592 VanDerWaalsContact O-CD2 3.26Å; R588-Y592 WeakPolarHBondContact O-CD2 3.46Å
593	I	47.9	Very low	84.7	Confident	185 Å²	185	90 Å²	90	95%	0.949	44%	0.438	S	S	*	.			trans	-107.5	0	166.4	-55.8	-173.7	0	0	0	107.9

Retrieved 593 of 593 residues in 414.6 ms (Link to these results)

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