A0A087XDE9_POEFO Loading...

Bone morphogenetic protein/retinoic acid inducible neural-specific 3a, tandem duplicate 2

AlphaFold DB , UniProt , Accession A0A087XDE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 644 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	64.2	Low	79.5	Confident	182 Å²	182	85.7 Å²	85.7	90%	0.897	42%	0.42	S	S	*	.				0	-56.1	0	-107.2	-167	164.5	0	0	113.1	N5	M1-N5 WeakPolarHBondContact O-CB 3.32Å; M1-N5 PolarHBondContact O-N 3.49Å; M1-N5 PolarHBondContact O-ND2 3.5Å
2	I	76.9	Confident	79.8	Confident	51 Å²	51	80.8 Å²	80.8	26%	0.262	40%	0.399	S	S	.	.	H	α-helix	trans	-66.4	-43.1	178.5	-66.3	164.5	0	0	0	111.9	L6 I7 F134 A137	I2-L6 HydrophobicContact CG2-CB 4.39Å; I2-L6 WeakPolarHBondContact O-CA 3.23Å; I2-L6 VanDerWaalsContact O-CB 3.28Å; I2-L6 WeakPolarHBondContact O-CB 2.79Å; I2-L6 PolarHBondContact O-N 3.49Å; I2-I7 HydrophobicContact CG2-CD1 4.28Å; I2-I7 HydrophobicContact CG2-CG1 4.42Å; I2-I7 PolarHBondContact O-N 2.96Å; I2-I7 VanDerWaalsContact O-N 3.16Å; I2-F134 HydrophobicContact CG2-CD2 3.71Å; I2-F134 HydrophobicContact CG2-CE2 4.46Å; I2-A137 HydrophobicContact CB-CB 4.25Å; I2-A137 HydrophobicContact CG2-CB 4Å
3	T	75.9	Confident	80.3	Confident	33 Å²	33	81.5 Å²	81.5	20%	0.202	40%	0.4	C	S	.	.	I	π-helix	trans	-59.6	-49.7	179.2	-43.6	0	0	0	0	112.6	I7 K8 Y141	T3-I7 PolarHBondContact O-N 3.19Å; T3-K8 WeakPolarHBondContact O-CG 3.3Å; T3-K8 PolarHBondContact O-N 3Å; T3-Y141 HydrophobicContact CG2-CD2 3.62Å; T3-Y141 HydrophobicContact CG2-CE2 4.42Å; T3-Y141 HydrophobicContact CG2-CG 4.08Å
4	D	78.1	Confident	80.5	Confident	82 Å²	82	79.6 Å²	79.6	44%	0.439	39%	0.389	S	S	.	.	I	π-helix	trans	-77.8	-34.7	-176.8	-55.9	-58.6	0	0	0	114	K8	D4-K8 WeakPolarHBondContact OD1-CE 3.45Å; D4-K8 IonicContact OD1-NZ 3.35Å; D4-K8 PolarHBondContact OD1-NZ 3.26Å
5	N	81.4	Confident	80.6	Confident	82 Å²	82	80.1 Å²	80.1	44%	0.439	39%	0.393	S	S	.	.	I	π-helix	trans	-91	-28.8	-175.2	-67.1	-29.2	0	0	0	113.6	M1 K9	M1-N5 WeakPolarHBondContact O-CB 3.32Å; M1-N5 PolarHBondContact O-N 3.49Å; M1-N5 PolarHBondContact O-ND2 3.5Å; N5-K9 WeakPolarHBondContact O-CD 3.46Å
6	L	81.9	Confident	80.6	Confident	51 Å²	51	80.1 Å²	80.1	27%	0.267	40%	0.395	S	S	.	.	I	π-helix	trans	-112.6	-59	-176	-145	86.9	0	0	0	111.6	I2 K9 Y10 L122 L126 F134	I2-L6 HydrophobicContact CG2-CB 4.39Å; I2-L6 WeakPolarHBondContact O-CA 3.23Å; I2-L6 VanDerWaalsContact O-CB 3.28Å; I2-L6 WeakPolarHBondContact O-CB 2.79Å; I2-L6 PolarHBondContact O-N 3.49Å; L6-K9 PolarHBondContact O-N 3.23Å; L6-Y10 HydrophobicContact CD1-CD2 4.34Å; L6-Y10 HydrophobicContact CG-CD2 4.33Å; L6-Y10 WeakPolarHBondContact O-CB 3.27Å; L6-Y10 WeakPolarHBondContact O-CD2 3.41Å; L6-Y10 PolarHBondContact O-N 3.48Å; L6-L122 HydrophobicContact CD2-CD2 4.18Å; L6-L126 HydrophobicContact CD2-CD1 3.94Å; L6-L126 HydrophobicContact CD2-CD2 3.95Å; L6-F134 HydrophobicContact CD2-CD2 3.65Å; L6-F134 HydrophobicContact CD2-CE2 3.53Å; L6-F134 HydrophobicContact CG-CE2 4.49Å
7	I	84	Confident	80.5	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.021	40%	0.397	C	S	.	.	I	π-helix	trans	-67.4	-47.7	-169.9	-62.2	172.9	0	0	0	111.7	I2 T3 K9 G11 T12 F134 A137 A138 Y141	I2-I7 HydrophobicContact CG2-CD1 4.28Å; I2-I7 HydrophobicContact CG2-CG1 4.42Å; I2-I7 PolarHBondContact O-N 2.96Å; I2-I7 VanDerWaalsContact O-N 3.16Å; T3-I7 PolarHBondContact O-N 3.19Å; I7-K9 PolarHBondContact O-N 3.46Å; I7-G11 WeakPolarHBondContact O-CA 3.18Å; I7-G11 PolarHBondContact O-N 3.05Å; I7-T12 HydrophobicContact CG2-CG2 3.64Å; I7-F134 HydrophobicContact CD1-CD2 4.43Å; I7-F134 HydrophobicContact CD1-CE2 4.1Å; I7-F134 HydrophobicContact CG1-CD2 4.18Å; I7-F134 HydrophobicContact CG1-CE2 3.48Å; I7-F134 VanDerWaalsContact CG1-CE2 3.48Å; I7-F134 HydrophobicContact CG1-CZ 4.1Å; I7-A137 HydrophobicContact CD1-CB 3.87Å; I7-A138 HydrophobicContact CD1-CB 4.05Å; I7-Y141 HydrophobicContact CG2-CD1 3.51Å; I7-Y141 HydrophobicContact CG2-CE1 3.91Å; I7-Y141 HydrophobicContact CG2-CG 3.95Å
8	K	82.1	Confident	79.9	Confident	125 Å²	125	77.1 Å²	77.1	54%	0.543	39%	0.391	S	S	.	.	H	α-helix	trans	-64.7	-26.3	178.2	-74.8	-177.2	-176.9	163.8	0	113.4	T3 D4 Y141	T3-K8 WeakPolarHBondContact O-CG 3.3Å; T3-K8 PolarHBondContact O-N 3Å; D4-K8 WeakPolarHBondContact OD1-CE 3.45Å; D4-K8 IonicContact OD1-NZ 3.35Å; D4-K8 PolarHBondContact OD1-NZ 3.26Å; K8-Y141 HydrophobicContact CG-CE2 4.23Å
9	K	84.1	Confident	79.1	Confident	141 Å²	141	77.7 Å²	77.7	61%	0.613	40%	0.399	S	S	*	.	H	α-helix	trans	-90.4	-41.1	-177.8	-66.3	-169.3	-173.5	175	0	113.4	N5 L6 I7	N5-K9 WeakPolarHBondContact O-CD 3.46Å; L6-K9 PolarHBondContact O-N 3.23Å; I7-K9 PolarHBondContact O-N 3.46Å
10	Y	82.5	Confident	78.1	Confident	163 Å²	163	78.3 Å²	78.3	64%	0.639	40%	0.403	S	S	*	.	H	α-helix	trans	-116.9	-4.7	-170.3	-58.5	-72.3	0	0	0	113.6	L6	L6-Y10 HydrophobicContact CD1-CD2 4.34Å; L6-Y10 HydrophobicContact CG-CD2 4.33Å; L6-Y10 WeakPolarHBondContact O-CB 3.27Å; L6-Y10 WeakPolarHBondContact O-CD2 3.41Å; L6-Y10 PolarHBondContact O-N 3.48Å
11	G	83.3	Confident	76.9	Confident	29 Å²	29	76.3 Å²	76.3	30%	0.299	40%	0.401	S	S	.	.			trans	79.3	-174.7	-176.2	0	0	0	0	0	113.4	I7	I7-G11 WeakPolarHBondContact O-CA 3.18Å; I7-G11 PolarHBondContact O-N 3.05Å
12	T	83.3	Confident	76.2	Confident	27 Å²	27	69 Å²	69	17%	0.166	37%	0.373	C	S	.	.	S	Bend	trans	-98.1	-20.9	178.8	51.9	0	0	0	0	113	I7 L122 A138 I142	I7-T12 HydrophobicContact CG2-CG2 3.64Å; T12-L122 WeakPolarHBondContact O-CB 3.39Å; T12-L122 PolarHBondContact O-N 3.35Å; T12-A138 HydrophobicContact CG2-CB 3.92Å; T12-I142 HydrophobicContact CG2-CD1 4.04Å; T12-I142 HydrophobicContact CG2-CG1 4.4Å
13	H	86.9	Confident	74.8	Confident	90 Å²	90	69.9 Å²	69.9	42%	0.417	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152	-175.6	-63.3	75.2	0	0	0	109.8	L119 Q120	H13-L119 HydrophobicContact CB-CB 3.94Å; H13-L119 HydrophobicContact CB-CD2 4.26Å; H13-L119 HydrophobicContact CB-CG 3.79Å; H13-Q120 CarbonylContact C-O 3.42Å; H13-Q120 VanDerWaalsContact CA-O 3.26Å; H13-Q120 WeakPolarHBondContact CA-O 3.36Å; H13-Q120 WeakPolarHBondContact CB-O 3.47Å
14	F	83.1	Confident	73.4	Confident	55 Å²	55	73.9 Å²	73.9	24%	0.241	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	159.1	168.2	69.5	-83.9	0	0	0	110.1	L16 Q120 L122 I125	F14-L16 HydrophobicContact CE2-CD1 4.49Å; F14-L16 PolarHBondContact O-N 2.62Å; F14-Q120 VanDerWaalsContact CD1-O 3.31Å; F14-Q120 WeakPolarHBondContact CD1-O 3.23Å; F14-Q120 HydrophobicContact CE1-CB 3.88Å; F14-Q120 HydrophobicContact CE1-CG 4.02Å; F14-Q120 HydrophobicContact CE2-CB 4.3Å; F14-Q120 HydrophobicContact CZ-CB 3.76Å; F14-Q120 HydrophobicContact CZ-CG 3.98Å; F14-Q120 PolarHBondContact N-O 2.84Å; F14-Q120 PolarHBondContact O-N 2.88Å; F14-L122 HydrophobicContact CB-CD1 4.36Å; F14-L122 HydrophobicContact CD1-CD1 4.15Å; F14-I125 HydrophobicContact CD1-CD1 3.66Å; F14-I125 HydrophobicContact CD1-CG1 4.4Å; F14-I125 HydrophobicContact CD2-CD1 4.24Å; F14-I125 HydrophobicContact CE1-CD1 3.54Å; F14-I125 HydrophobicContact CE1-CG1 3.88Å; F14-I125 HydrophobicContact CE2-CD1 4.13Å; F14-I125 HydrophobicContact CG-CD1 4.02Å; F14-I125 HydrophobicContact CZ-CD1 3.78Å; F14-I125 HydrophobicContact CZ-CG1 4.17Å
15	L	81.4	Confident	71.7	Confident	86 Å²	86	73 Å²	73	45%	0.45	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	115	179.6	-159.2	80.6	0	0	0	109.8	A18 V117 L119	L15-A18 HydrophobicContact CD1-CB 4.04Å; L15-A18 HydrophobicContact CD2-CB 3.89Å; L15-A18 HydrophobicContact CG-CB 4.18Å; L15-V117 HydrophobicContact CD1-CB 4.32Å; L15-V117 HydrophobicContact CD1-CG1 3.18Å; L15-V117 HydrophobicContact CD1-CG2 4.27Å; L15-V117 HydrophobicContact CG-CG1 4.49Å; L15-L119 HydrophobicContact CD1-CD2 4.24Å
16	L	80.1	Confident	69.8	Low	80 Å²	80	72.9 Å²	72.9	42%	0.419	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-51.4	171.7	-168.2	104	0	0	0	110.3	F14 Q118 Q120	F14-L16 HydrophobicContact CE2-CD1 4.49Å; F14-L16 PolarHBondContact O-N 2.62Å; L16-Q118 HydrophobicContact CB-CG 4.41Å; L16-Q118 WeakPolarHBondContact CB-O 3.37Å; L16-Q118 HydrophobicContact CD2-CG 4.13Å; L16-Q118 PolarHBondContact N-O 2.9Å; L16-Q120 HydrophobicContact CB-CB 4.33Å; L16-Q120 HydrophobicContact CD1-CB 4.01Å
17	T	80.3	Confident	68	Low	70 Å²	70	73.9 Å²	73.9	43%	0.429	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145.2	-179.3	51.8	0	0	0	0	109.1	Q118	T17-Q118 PolarHBondContact N-O 2.97Å; T17-Q118 WeakPolarHBondContact O-CA 3.26Å; T17-Q118 PolarHBondContact O-N 3.49Å; T17-Q118 PolarHBondContact OG1-OE1 2.85Å
18	A	68.4	Low	66.4	Low	36 Å²	36	76.8 Å²	76.8	30%	0.298	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	139.5	172.3	0	0	0	0	0	110.4	L15 L20 V117	L15-A18 HydrophobicContact CD1-CB 4.04Å; L15-A18 HydrophobicContact CD2-CB 3.89Å; L15-A18 HydrophobicContact CG-CB 4.18Å; A18-L20 HydrophobicContact CB-CD2 4.22Å; A18-V117 HydrophobicContact CB-CG2 4.16Å
19	T	65.9	Low	64.7	Low	89 Å²	89	79.5 Å²	79.5	55%	0.546	43%	0.431	S	S	.	.			trans	-87.6	110.3	161.7	53.3	0	0	0	0	107.7	G21 N115 K116	T19-G21 PolarHBondContact O-N 3.11Å; T19-N115 PolarHBondContact O-OD1 3.27Å; T19-K116 PolarHBondContact N-O 3.37Å; T19-K116 PolarHBondContact OG1-N 2.84Å; T19-K116 PolarHBondContact OG1-O 2.92Å
20	L	57.7	Low	63.3	Low	90 Å²	90	74.4 Å²	74.4	47%	0.471	41%	0.411	S	S	.	.			trans	-85.8	104.3	178	-61.5	177.9	0	0	0	108.4	A18 V108 V110	A18-L20 HydrophobicContact CB-CD2 4.22Å; L20-V108 HydrophobicContact CB-CB 4.12Å; L20-V108 HydrophobicContact CB-CG1 3.69Å; L20-V110 HydrophobicContact CD2-CB 4.06Å; L20-V110 HydrophobicContact CD2-CG1 3.98Å; L20-V110 HydrophobicContact CD2-CG2 3.71Å
21	G	53.3	Low	61.8	Low	36 Å²	36	70.5 Å²	70.5	37%	0.371	40%	0.401	S	S	.	.			trans	-118.9	165.6	168.9	0	0	0	0	0	110.8	T19 V108 S112 N115	T19-G21 PolarHBondContact O-N 3.11Å; G21-V108 VanDerWaalsContact C-CG1 3.45Å; G21-V108 WeakPolarHBondContact O-CG1 3.49Å; G21-S112 PolarHBondContact O-OG 3.38Å; G21-N115 PolarHBondContact N-OD1 3.41Å; G21-N115 PolarHBondContact O-OD1 3.17Å
22	G	50.3	Low	60.4	Low	29 Å²	29	74.5 Å²	74.5	30%	0.299	41%	0.41	S	S	.	.			trans	-149.7	150.8	169.1	0	0	0	0	0	114.8	T91	G22-T91 WeakPolarHBondContact CA-OG1 3.48Å; G22-T91 PolarHBondContact O-OG1 3.3Å
23	E	46.1	Very low	59.1	Low	69 Å²	69	82.9 Å²	82.9	32%	0.322	44%	0.439	S	S	.	.			trans	-128.8	139.3	-175.3	175.9	174.2	-154.9	0	0	111.7	A25 T89 R90 T91	E23-A25 HydrophobicContact CG-CB 4.39Å; E23-T89 HydrophobicContact CB-CG2 4.27Å; E23-T89 HydrophobicContact CG-CG2 3.6Å; E23-R90 CarbonylContact C-O 3.52Å; E23-R90 VanDerWaalsContact C-O 3.27Å; E23-T91 VanDerWaalsContact C-CG2 3.49Å; E23-T91 VanDerWaalsContact O-CG2 3.3Å; E23-T91 WeakPolarHBondContact O-CG2 3.5Å
24	E	46.6	Very low	57.5	Low	118 Å²	118	87.2 Å²	87.2	55%	0.551	46%	0.457	S	S	*	.			trans	-111.6	129.7	160.7	-97.5	167.9	-171.9	0	0	103	E88 T89 R90	E24-E88 CarbonylContact O-C 3.55Å; E24-T89 VanDerWaalsContact O-CA 3.28Å; E24-T89 WeakPolarHBondContact O-CA 3.38Å; E24-R90 VanDerWaalsContact CA-O 3.32Å; E24-R90 WeakPolarHBondContact CA-O 3.31Å; E24-R90 HydrophobicContact CB-CB 4.29Å; E24-R90 WeakPolarHBondContact CB-O 3.48Å; E24-R90 WeakPolarHBondContact CG-O 3.42Å; E24-R90 VanDerWaalsContact N-N 3.2Å; E24-R90 PolarHBondContact N-O 3.5Å
25	A	43.4	Very low	56.1	Low	62 Å²	62	87.4 Å²	87.4	51%	0.512	46%	0.46	S	S	.	.			trans	-119.5	120	-178.8	0	0	0	0	0	110	E23	E23-A25 HydrophobicContact CG-CB 4.39Å
26	L	41.5	Very low	54.6	Low	80 Å²	80	87.5 Å²	87.5	42%	0.419	47%	0.468	S	S	.	.			trans	-94	106.8	170.9	-172.7	77.7	0	0	0	109.8	I28 Y63	L26-I28 HydrophobicContact CD2-CD1 3.83Å; L26-I28 HydrophobicContact CD2-CG1 3.99Å; L26-I28 HydrophobicContact CG-CD1 4.47Å; L26-I28 HydrophobicContact CG-CG1 4.07Å; L26-Y63 HydrophobicContact CD2-CD1 4.41Å; L26-Y63 HydrophobicContact CD2-CE1 4.48Å
27	T	43.3	Very low	53	Low	73 Å²	73	92.7 Å²	92.7	45%	0.448	49%	0.487	S	S	.	.			trans	-101.4	109.9	174.3	-50.6	0	0	0	0	110.2	F29	T27-F29 HydrophobicContact CG2-CD2 3.87Å; T27-F29 HydrophobicContact CG2-CE1 4.32Å; T27-F29 HydrophobicContact CG2-CE2 3.3Å; T27-F29 HydrophobicContact CG2-CZ 3.57Å
28	I	51.3	Low	51.4	Low	65 Å²	65	99 Å²	99	33%	0.333	51%	0.508	S	S	.	.			trans	-96.9	108.6	176.1	-58.8	177.6	0	0	0	109	L26 V30 I84	L26-I28 HydrophobicContact CD2-CD1 3.83Å; L26-I28 HydrophobicContact CD2-CG1 3.99Å; L26-I28 HydrophobicContact CG-CD1 4.47Å; L26-I28 HydrophobicContact CG-CG1 4.07Å; I28-V30 HydrophobicContact CG2-CG2 3.61Å; I28-I84 VanDerWaalsContact O-O 3.08Å
29	F	46.7	Very low	50.3	Low	182 Å²	182	101.7 Å²	101.7	80%	0.798	53%	0.531	S	S	*	.			trans	-91.1	111.3	171.6	-69.9	-82	0	0	0	110	T27	T27-F29 HydrophobicContact CG2-CD2 3.87Å; T27-F29 HydrophobicContact CG2-CE1 4.32Å; T27-F29 HydrophobicContact CG2-CE2 3.3Å; T27-F29 HydrophobicContact CG2-CZ 3.57Å
30	V	55.2	Low	48.9	Very low	33 Å²	33	106.4 Å²	106.4	20%	0.2	55%	0.547	C	S	.	.			trans	-126	113.9	176.1	171.5	0	0	0	0	109.1	I28 K32 L35 L56	I28-V30 HydrophobicContact CG2-CG2 3.61Å; V30-K32 PolarHBondContact O-N 3.12Å; V30-L35 HydrophobicContact CG1-CD1 3.11Å; V30-L35 HydrophobicContact CG1-CG 4.49Å; V30-L56 HydrophobicContact CG1-CD1 4.31Å; V30-L56 HydrophobicContact CG2-CD1 3.85Å; V30-L56 HydrophobicContact CG2-CD2 4.11Å
31	D	50.6	Low	48.4	Very low	82 Å²	82	109 Å²	109	44%	0.439	57%	0.566	S	S	.	*			trans	-82.5	112.8	175.1	-175.8	-1.7	0	0	0	109.9	R33 K34	D31-R33 PolarHBondContact O-N 3.14Å; D31-R33 WeakPolarHBondContact OD1-CB 2.96Å; D31-R33 PolarHBondContact OD1-N 2.89Å; D31-R33 VanDerWaalsContact OD1-N 3.08Å; D31-K34 PolarHBondContact O-N 3.42Å; D31-K34 VanDerWaalsContact O-N 3.1Å
32	K	53.8	Low	47.9	Very low	112 Å²	112	112 Å²	112	49%	0.487	58%	0.581	S	S	.	*	H	α-helix	trans	-52.7	-29	179.1	-170.8	176.4	179.9	178.1	0	113	V30 K34 L35 S36 T82	V30-K32 PolarHBondContact O-N 3.12Å; K32-K34 VanDerWaalsContact C-N 3.32Å; K32-K34 PolarHBondContact O-N 3.06Å; K32-L35 PolarHBondContact O-N 3.42Å; K32-S36 PolarHBondContact O-N 3.46Å; K32-T82 HydrophobicContact CD-CG2 4.5Å
33	R	55.7	Low	47.1	Very low	204 Å²	204	118.4 Å²	118.4	77%	0.77	61%	0.608	S	S	*	*	H	α-helix	trans	-69	-26.7	-178	-60.4	178.4	-179.6	-176.2	1.2	113.4	D31	D31-R33 PolarHBondContact O-N 3.14Å; D31-R33 WeakPolarHBondContact OD1-CB 2.96Å; D31-R33 PolarHBondContact OD1-N 2.89Å; D31-R33 VanDerWaalsContact OD1-N 3.08Å
34	K	53.6	Low	47.1	Very low	181 Å²	181	125 Å²	125	79%	0.787	64%	0.636	S	S	*	*	H	α-helix	trans	-84	-17.9	176.9	-74.1	-170.6	177.1	-179.3	0	113.4	D31 K32	D31-K34 PolarHBondContact O-N 3.42Å; D31-K34 VanDerWaalsContact O-N 3.1Å; K32-K34 VanDerWaalsContact C-N 3.32Å; K32-K34 PolarHBondContact O-N 3.06Å
35	L	53.3	Low	47.1	Very low	58 Å²	58	125.2 Å²	125.2	30%	0.304	65%	0.651	S	S	.	*	H	α-helix	trans	-92.9	-21	179.4	-83.9	152.4	0	0	0	114	V30 K32 V51	V30-L35 HydrophobicContact CG1-CD1 3.11Å; V30-L35 HydrophobicContact CG1-CG 4.49Å; K32-L35 PolarHBondContact O-N 3.42Å; L35-V51 WeakPolarHBondContact CD2-O 3.3Å
36	S	50.3	Low	46.8	Very low	89 Å²	89	125.4 Å²	125.4	62%	0.622	66%	0.659	S	S	*	*			trans	-89.2	4.2	-178.5	69	0	0	0	0	114.9	K32 K38	K32-S36 PolarHBondContact O-N 3.46Å; S36-K38 VanDerWaalsContact C-N 3.3Å; S36-K38 PolarHBondContact O-N 3.07Å
37	K	46.8	Very low	47.1	Very low	188 Å²	188	130.5 Å²	130.5	82%	0.817	69%	0.687	S	S	*	*			trans	-71.9	90.3	169.5	-85.9	-170.6	174.5	-173.5	0	108.8	A39	K37-A39 PolarHBondContact O-N 3.47Å
38	K	46.6	Very low	46.9	Very low	202 Å²	202	131.6 Å²	131.6	88%	0.878	70%	0.697	S	S	*	*			trans	-55.9	118.8	155.6	-119.2	179.5	177.8	-178.5	0	106.1	S36 E40	S36-K38 VanDerWaalsContact C-N 3.3Å; S36-K38 PolarHBondContact O-N 3.07Å; K38-E40 PolarHBondContact O-N 2.79Å
39	A	44.3	Very low	46.7	Very low	93 Å²	93	133.8 Å²	133.8	77%	0.769	72%	0.719	S	S	*	*			trans	-60	107.4	169.4	0	0	0	0	0	107.6	K37	K37-A39 PolarHBondContact O-N 3.47Å
40	E	37.7	Very low	46.9	Very low	189 Å²	189	130.9 Å²	130.9	88%	0.883	72%	0.716	S	S	*	*			trans	-69.6	137.8	158	-73.8	-172.5	164.4	0	0	107.8	K38 S42	K38-E40 PolarHBondContact O-N 2.79Å; E40-S42 PolarHBondContact O-N 2.85Å
41	V	47.1	Very low	46.9	Very low	145 Å²	145	133.4 Å²	133.4	88%	0.879	73%	0.731	S	S	*	*	S	Bend	trans	-72.6	107.3	-165.7	177.3	0	0	0	0	110.3
42	S	41.7	Very low	47.3	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	73%	0.732	S	S	*	*			trans	176.5	100.1	144.1	55.4	0	0	0	0	110.6	E40	E40-S42 PolarHBondContact O-N 2.85Å
43	D	34.7	Very low	47.4	Very low	163 Å²	163	131 Å²	131	87%	0.872	73%	0.726	S	S	*	*			trans	154	128.4	133.5	-81.4	-16.5	0	0	0	112
44	F	45.6	Very low	47.7	Very low	208 Å²	208	128 Å²	128	91%	0.912	72%	0.721	S	S	*	*			trans	-70.5	141.5	-177.7	-110.9	-107	0	0	0	111.7
45	S	45.2	Very low	48	Very low	122 Å²	122	121.2 Å²	121.2	85%	0.853	70%	0.699	S	S	*	*			trans	112.9	107.6	154.3	81.4	0	0	0	0	116.2
46	G	38.8	Very low	48.3	Very low	67 Å²	67	120.5 Å²	120.5	69%	0.691	70%	0.695	S	S	*	*			trans	146.6	100.1	170.5	0	0	0	0	0	111.7	S48	G46-S48 PolarHBondContact O-N 3.12Å
47	N	46.2	Very low	48.7	Very low	186 Å²	186	117.5 Å²	117.5	100%	0.995	67%	0.671	S	S	*	*			trans	-55.5	97.3	171.1	-83.9	-14.1	0	0	0	110.2
48	S	40.2	Very low	49.4	Very low	96 Å²	96	114.6 Å²	114.6	67%	0.671	66%	0.661	S	S	*	*			trans	-130.1	107.2	163.8	58.4	0	0	0	0	107.5	G46 T50	G46-S48 PolarHBondContact O-N 3.12Å; S48-T50 PolarHBondContact O-N 3.22Å
49	S	46	Very low	49.9	Very low	112 Å²	112	110.5 Å²	110.5	78%	0.783	65%	0.648	S	S	*	*			trans	-59.7	105.5	169.7	51.3	0	0	0	0	107.7	V51	S49-V51 PolarHBondContact O-N 3.12Å
50	T	52.4	Low	50.4	Low	121 Å²	121	106.7 Å²	106.7	74%	0.742	62%	0.616	S	S	*	*			trans	-63.4	106.4	175.4	43.1	0	0	0	0	108.4	S48 T52	S48-T50 PolarHBondContact O-N 3.22Å; T50-T52 PolarHBondContact O-N 2.96Å; T50-T52 VanDerWaalsContact O-N 3.16Å
51	V	54	Low	51.3	Low	85 Å²	85	97.9 Å²	97.9	52%	0.515	58%	0.576	S	S	.	*			trans	-70.5	110.9	179	179.9	0	0	0	0	107.9	L35 S49 A55 L56	L35-V51 WeakPolarHBondContact CD2-O 3.3Å; S49-V51 PolarHBondContact O-N 3.12Å; V51-A55 HydrophobicContact CG1-CB 4.47Å; V51-L56 HydrophobicContact CG1-CB 4.45Å; V51-L56 HydrophobicContact CG1-CD1 4.22Å
52	T	58.5	Low	51.7	Low	76 Å²	76	95.4 Å²	95.4	47%	0.466	56%	0.564	S	S	.	*			trans	-77.8	154.4	175.6	58.8	0	0	0	0	110.5	T50 E54 A55 L56	T50-T52 PolarHBondContact O-N 2.96Å; T50-T52 VanDerWaalsContact O-N 3.16Å; T52-E54 PolarHBondContact O-N 3.13Å; T52-A55 WeakPolarHBondContact O-CB 3.49Å; T52-A55 PolarHBondContact O-N 2.92Å; T52-A55 PolarHBondContact OG1-N 3.44Å; T52-L56 PolarHBondContact O-N 2.89Å; T52-L56 VanDerWaalsContact O-N 3.15Å
53	L	57.4	Low	52.1	Low	67 Å²	67	97.7 Å²	97.7	35%	0.351	56%	0.559	S	S	.	*	H	α-helix	trans	-55.4	-33.5	176.3	-164.2	98.3	0	0	0	111.9	L56 H57	L53-L56 PolarHBondContact O-N 3.39Å; L53-H57 PolarHBondContact O-N 2.85Å; L53-H57 PolarHBondContact O-ND1 2.79Å
54	E	60.4	Low	53	Low	142 Å²	142	91.3 Å²	91.3	66%	0.664	52%	0.524	S	S	*	.	H	α-helix	trans	-69.1	-39.3	175.9	-72.9	171.5	165	0	0	112.9	T52 L56 H57 Q58	T52-E54 PolarHBondContact O-N 3.13Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.84Å; E54-H57 PolarHBondContact O-N 3.44Å; E54-Q58 WeakPolarHBondContact O-CB 3.44Å; E54-Q58 WeakPolarHBondContact O-CG 3.48Å; E54-Q58 PolarHBondContact O-N 2.89Å
55	A	61.5	Low	53.2	Low	39 Å²	39	89.2 Å²	89.2	32%	0.322	52%	0.52	S	S	.	.	H	α-helix	trans	-65	-35.4	174.8	0	0	0	0	0	111.6	V51 T52 Q58 L59	V51-A55 HydrophobicContact CG1-CB 4.47Å; T52-A55 WeakPolarHBondContact O-CB 3.49Å; T52-A55 PolarHBondContact O-N 2.92Å; T52-A55 PolarHBondContact OG1-N 3.44Å; A55-Q58 PolarHBondContact O-N 2.88Å; A55-L59 VanDerWaalsContact O-CB 3.29Å; A55-L59 WeakPolarHBondContact O-CB 3.5Å; A55-L59 PolarHBondContact O-N 3.03Å
56	L	59.3	Low	53.7	Low	43 Å²	43	87.6 Å²	87.6	23%	0.225	50%	0.502	C	S	.	.	H	α-helix	trans	-72.2	-38.1	177.3	-148.5	145.4	0	0	0	111.8	V30 V51 T52 L53 E54 L59 A60	V30-L56 HydrophobicContact CG1-CD1 4.31Å; V30-L56 HydrophobicContact CG2-CD1 3.85Å; V30-L56 HydrophobicContact CG2-CD2 4.11Å; V51-L56 HydrophobicContact CG1-CB 4.45Å; V51-L56 HydrophobicContact CG1-CD1 4.22Å; T52-L56 PolarHBondContact O-N 2.89Å; T52-L56 VanDerWaalsContact O-N 3.15Å; L53-L56 PolarHBondContact O-N 3.39Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.84Å; L56-L59 PolarHBondContact O-N 2.96Å; L56-A60 VanDerWaalsContact O-CB 3.3Å; L56-A60 WeakPolarHBondContact O-CB 3.23Å; L56-A60 PolarHBondContact O-N 2.64Å
57	H	59.2	Low	54.5	Low	25 Å²	25	92 Å²	92	12%	0.116	50%	0.498	C	S	.	.	H	α-helix	trans	-65.1	-38.8	170.2	-72	145	0	0	0	112.6	L53 E54 A61 L71 Q78	L53-H57 PolarHBondContact O-N 2.85Å; L53-H57 PolarHBondContact O-ND1 2.79Å; E54-H57 PolarHBondContact O-N 3.44Å; H57-A61 WeakPolarHBondContact O-CB 3.48Å; H57-A61 PolarHBondContact O-N 3.03Å; H57-L71 HydrophobicContact CB-CD2 4.42Å; H57-Q78 PolarHBondContact CE1-OE1 2.88Å
58	Q	59.6	Low	54.9	Low	128 Å²	128	89.4 Å²	89.4	60%	0.598	48%	0.48	S	S	*	.	H	α-helix	trans	-67.9	-37.6	175.4	-75.5	-178.9	-3.7	0	0	112.2	E54 A55 A61 S62	E54-Q58 WeakPolarHBondContact O-CB 3.44Å; E54-Q58 WeakPolarHBondContact O-CG 3.48Å; E54-Q58 PolarHBondContact O-N 2.89Å; A55-Q58 PolarHBondContact O-N 2.88Å; Q58-A61 PolarHBondContact O-N 2.76Å; Q58-S62 WeakPolarHBondContact O-CB 3.36Å; Q58-S62 PolarHBondContact O-N 3.18Å; Q58-S62 PolarHBondContact O-OG 2.82Å
59	L	58.3	Low	55.7	Low	116 Å²	116	86.7 Å²	86.7	61%	0.607	46%	0.461	S	S	*	.	H	α-helix	trans	-72.1	-42.8	178.2	-158.8	153.3	0	0	0	111.6	A55 L56 S62 Y63	A55-L59 VanDerWaalsContact O-CB 3.29Å; A55-L59 WeakPolarHBondContact O-CB 3.5Å; A55-L59 PolarHBondContact O-N 3.03Å; L56-L59 PolarHBondContact O-N 2.96Å; L59-S62 WeakPolarHBondContact CA-OG 3.49Å; L59-S62 PolarHBondContact O-N 3.11Å; L59-S62 PolarHBondContact O-OG 2.85Å; L59-Y63 PolarHBondContact O-N 2.84Å
60	A	55.4	Low	56.2	Low	12 Å²	12	82.4 Å²	82.4	10%	0.099	43%	0.43	C	S	.	.	H	α-helix	trans	-59.5	-49.2	170	0	0	0	0	0	110.5	L56 S62 Y63 F64 L74	L56-A60 VanDerWaalsContact O-CB 3.3Å; L56-A60 WeakPolarHBondContact O-CB 3.23Å; L56-A60 PolarHBondContact O-N 2.64Å; A60-S62 VanDerWaalsContact C-N 3.29Å; A60-S62 PolarHBondContact O-N 3.27Å; A60-Y63 VanDerWaalsContact O-CB 3.32Å; A60-Y63 WeakPolarHBondContact O-CB 3.34Å; A60-Y63 PolarHBondContact O-N 3.29Å; A60-F64 HydrophobicContact CB-CE2 4.27Å; A60-F64 WeakPolarHBondContact O-CD2 3.07Å; A60-F64 VanDerWaalsContact O-CE2 3.23Å; A60-F64 WeakPolarHBondContact O-CE2 3.36Å; A60-L74 HydrophobicContact CB-CD1 4.48Å
61	A	56	Low	56.5	Low	5 Å²	5	79.7 Å²	79.7	4%	0.041	41%	0.411	C	S	.	.	H	α-helix	trans	-67.1	-23.4	179.8	0	0	0	0	0	114.4	H57 Q58 Y63 R67 L71	H57-A61 WeakPolarHBondContact O-CB 3.48Å; H57-A61 PolarHBondContact O-N 3.03Å; Q58-A61 PolarHBondContact O-N 2.76Å; A61-Y63 VanDerWaalsContact C-N 3.25Å; A61-R67 HydrophobicContact CB-CG 4.3Å; A61-L71 HydrophobicContact CB-CD2 4.19Å; A61-L71 HydrophobicContact CB-CG 4.23Å
62	S	55.3	Low	56.8	Low	92 Å²	92	83.8 Å²	83.8	64%	0.643	42%	0.417	S	S	*	.	H	α-helix	trans	-74.1	-17	171.3	63.3	0	0	0	0	113.6	Q58 L59 A60	Q58-S62 WeakPolarHBondContact O-CB 3.36Å; Q58-S62 PolarHBondContact O-N 3.18Å; Q58-S62 PolarHBondContact O-OG 2.82Å; L59-S62 WeakPolarHBondContact CA-OG 3.49Å; L59-S62 PolarHBondContact O-N 3.11Å; L59-S62 PolarHBondContact O-OG 2.85Å; A60-S62 VanDerWaalsContact C-N 3.29Å; A60-S62 PolarHBondContact O-N 3.27Å
63	Y	50.4	Low	56.8	Low	147 Å²	147	87 Å²	87	58%	0.576	42%	0.424	S	S	*	.	H	α-helix	trans	-85.5	-21.6	176.7	-137.8	-93.4	0	0	0	112.2	L26 L59 A60 A61	L26-Y63 HydrophobicContact CD2-CD1 4.41Å; L26-Y63 HydrophobicContact CD2-CE1 4.48Å; L59-Y63 PolarHBondContact O-N 2.84Å; A60-Y63 VanDerWaalsContact O-CB 3.32Å; A60-Y63 WeakPolarHBondContact O-CB 3.34Å; A60-Y63 PolarHBondContact O-N 3.29Å; A61-Y63 VanDerWaalsContact C-N 3.25Å
64	F	52.5	Low	56.9	Low	28 Å²	28	84 Å²	84	12%	0.123	41%	0.409	C	S	.	.			trans	-102	138.3	-175.6	-60.5	-66.3	0	0	0	112.6	A60 T70 V86 E88	A60-F64 HydrophobicContact CB-CE2 4.27Å; A60-F64 WeakPolarHBondContact O-CD2 3.07Å; A60-F64 VanDerWaalsContact O-CE2 3.23Å; A60-F64 WeakPolarHBondContact O-CE2 3.36Å; F64-T70 HydrophobicContact CB-CG2 4.29Å; F64-T70 HydrophobicContact CD2-CG2 3.6Å; F64-T70 HydrophobicContact CE2-CG2 4.14Å; F64-T70 HydrophobicContact CG-CG2 3.91Å; F64-V86 HydrophobicContact CE1-CG1 3.85Å; F64-V86 HydrophobicContact CE2-CG1 3.94Å; F64-V86 HydrophobicContact CZ-CB 4.09Å; F64-V86 HydrophobicContact CZ-CG1 3.33Å; F64-E88 HydrophobicContact CD1-CB 4.39Å; F64-E88 WeakPolarHBondContact CD1-OE2 3.35Å; F64-E88 HydrophobicContact CE1-CB 3.86Å; F64-E88 VanDerWaalsContact CE1-OE2 3.23Å; F64-E88 WeakPolarHBondContact CE1-OE2 3.33Å
65	I	51.1	Low	56.7	Low	164 Å²	164	82.7 Å²	82.7	84%	0.841	40%	0.402	S	S	*	.	S	Bend	trans	-69.4	-36.8	179.9	-64	170.6	0	0	0	111.9	R67	I65-R67 PolarHBondContact O-N 2.9Å
66	D	54.3	Low	56.3	Low	89 Å²	89	87.6 Å²	87.6	48%	0.476	42%	0.418	S	S	.	.			trans	-99.6	81.3	177.7	-174.9	2.4	0	0	0	111.5	E68 S69 T70	D66-E68 VanDerWaalsContact C-N 3.31Å; D66-E68 PolarHBondContact O-N 3.41Å; D66-S69 PolarHBondContact OD1-N 2.04Å; D66-S69 WeakPolarHBondContact OD2-CB 3.05Å; D66-S69 PolarHBondContact OD2-OG 2.89Å; D66-T70 VanDerWaalsContact O-CB 3.22Å; D66-T70 WeakPolarHBondContact O-CB 2.95Å; D66-T70 PolarHBondContact O-N 3.39Å; D66-T70 PolarHBondContact O-OG1 2.88Å
67	R	55.8	Low	56.1	Low	158 Å²	158	88.8 Å²	88.8	60%	0.596	42%	0.424	S	S	*	.	H	α-helix	trans	-57.8	-38.8	-175.7	179	171.9	174.6	165.1	-0.8	113.5	A61 I65 L71	A61-R67 HydrophobicContact CB-CG 4.3Å; I65-R67 PolarHBondContact O-N 2.9Å; R67-L71 HydrophobicContact CG-CD1 3.99Å; R67-L71 WeakPolarHBondContact O-CB 3.47Å; R67-L71 WeakPolarHBondContact O-CD1 3.04Å; R67-L71 VanDerWaalsContact O-CG 3.25Å; R67-L71 WeakPolarHBondContact O-CG 3.39Å; R67-L71 PolarHBondContact O-N 2.99Å; R67-L71 VanDerWaalsContact O-N 3.15Å
68	E	56.1	Low	55.7	Low	132 Å²	132	90.2 Å²	90.2	62%	0.617	43%	0.431	S	S	*	.	H	α-helix	trans	-83.4	-40.8	-167.1	-126.5	-178	-170.6	0	0	112.7	D66 T70 R72	D66-E68 VanDerWaalsContact C-N 3.31Å; D66-E68 PolarHBondContact O-N 3.41Å; E68-T70 VanDerWaalsContact C-N 3.35Å; E68-R72 PolarHBondContact O-N 2.77Å
69	S	56.6	Low	55.2	Low	39 Å²	39	90 Å²	90	27%	0.273	43%	0.433	S	S	.	.	H	α-helix	trans	-71.8	-33.9	175.8	83.1	0	0	0	0	111.7	D66 R72 K73	D66-S69 PolarHBondContact OD1-N 2.04Å; D66-S69 WeakPolarHBondContact OD2-CB 3.05Å; D66-S69 PolarHBondContact OD2-OG 2.89Å; S69-R72 PolarHBondContact O-N 3.32Å; S69-K73 PolarHBondContact O-N 3.44Å
70	T	56	Low	54.7	Low	23 Å²	23	88.8 Å²	88.8	14%	0.141	44%	0.439	C	S	.	.	H	α-helix	trans	-70.8	-40	179.6	-51.5	0	0	0	0	111.7	F64 D66 E68 R72 K73 L74	F64-T70 HydrophobicContact CB-CG2 4.29Å; F64-T70 HydrophobicContact CD2-CG2 3.6Å; F64-T70 HydrophobicContact CE2-CG2 4.14Å; F64-T70 HydrophobicContact CG-CG2 3.91Å; D66-T70 VanDerWaalsContact O-CB 3.22Å; D66-T70 WeakPolarHBondContact O-CB 2.95Å; D66-T70 PolarHBondContact O-N 3.39Å; D66-T70 PolarHBondContact O-OG1 2.88Å; E68-T70 VanDerWaalsContact C-N 3.35Å; T70-R72 PolarHBondContact O-N 2.7Å; T70-K73 PolarHBondContact O-N 2.87Å; T70-L74 HydrophobicContact CG2-CD1 4.03Å; T70-L74 HydrophobicContact CG2-CG 4.41Å; T70-L74 VanDerWaalsContact O-CB 3.24Å; T70-L74 WeakPolarHBondContact O-CB 3.38Å; T70-L74 WeakPolarHBondContact O-CG 3.39Å; T70-L74 PolarHBondContact O-N 2.75Å
71	L	59.2	Low	54.4	Low	63 Å²	63	90.9 Å²	90.9	33%	0.33	45%	0.453	S	S	.	.	H	α-helix	trans	-61.9	-40.3	173	-80.1	169.6	0	0	0	112.4	H57 A61 R67 H75	H57-L71 HydrophobicContact CB-CD2 4.42Å; A61-L71 HydrophobicContact CB-CD2 4.19Å; A61-L71 HydrophobicContact CB-CG 4.23Å; R67-L71 HydrophobicContact CG-CD1 3.99Å; R67-L71 WeakPolarHBondContact O-CB 3.47Å; R67-L71 WeakPolarHBondContact O-CD1 3.04Å; R67-L71 VanDerWaalsContact O-CG 3.25Å; R67-L71 WeakPolarHBondContact O-CG 3.39Å; R67-L71 PolarHBondContact O-N 2.99Å; R67-L71 VanDerWaalsContact O-N 3.15Å; L71-H75 WeakPolarHBondContact O-CB 3.18Å; L71-H75 PolarHBondContact O-N 3.09Å
72	R	59.9	Low	54.3	Low	172 Å²	172	95.4 Å²	95.4	65%	0.649	48%	0.48	S	S	*	.	H	α-helix	trans	-66.6	-42.6	176.3	-71.1	-176.8	-163.2	143.7	10.6	112.2	E68 S69 T70 H76	E68-R72 PolarHBondContact O-N 2.77Å; S69-R72 PolarHBondContact O-N 3.32Å; T70-R72 PolarHBondContact O-N 2.7Å; R72-H76 PolarHBondContact O-N 2.78Å
73	K	59.2	Low	54	Low	143 Å²	143	93.1 Å²	93.1	62%	0.622	47%	0.467	S	S	*	.	H	α-helix	trans	-66	-42.9	176.4	-77.9	177.6	179.1	172.3	0	112.1	S69 T70 H76 I77	S69-K73 PolarHBondContact O-N 3.44Å; T70-K73 PolarHBondContact O-N 2.87Å; K73-H76 PolarHBondContact O-N 2.78Å; K73-I77 VanDerWaalsContact O-CG1 3.31Å; K73-I77 WeakPolarHBondContact O-CG1 3.5Å; K73-I77 PolarHBondContact O-N 2.96Å
74	L	58.8	Low	54	Low	4 Å²	4	87.7 Å²	87.7	2%	0.021	45%	0.448	C	S	.	.	H	α-helix	trans	-59.3	-47	174.8	-85	170.6	0	0	0	111.9	A60 T70 H76 I77 Q78 I84 V86	A60-L74 HydrophobicContact CB-CD1 4.48Å; T70-L74 HydrophobicContact CG2-CD1 4.03Å; T70-L74 HydrophobicContact CG2-CG 4.41Å; T70-L74 VanDerWaalsContact O-CB 3.24Å; T70-L74 WeakPolarHBondContact O-CB 3.38Å; T70-L74 WeakPolarHBondContact O-CG 3.39Å; T70-L74 PolarHBondContact O-N 2.75Å; L74-H76 VanDerWaalsContact C-N 3.3Å; L74-H76 PolarHBondContact O-N 2.87Å; L74-I77 PolarHBondContact O-N 2.93Å; L74-Q78 WeakPolarHBondContact O-CB 3.48Å; L74-Q78 PolarHBondContact O-N 3.46Å; L74-I84 HydrophobicContact CD2-CG2 3.3Å; L74-V86 HydrophobicContact CD2-CG2 3.31Å; L74-V86 HydrophobicContact CG-CG2 4.15Å
75	H	56.9	Low	53.8	Low	115 Å²	115	93.4 Å²	93.4	53%	0.532	47%	0.472	S	S	.	.	H	α-helix	trans	-59.9	-40.7	175.7	-175	-87.8	0	0	0	111.8	L71 Q78 I79	L71-H75 WeakPolarHBondContact O-CB 3.18Å; L71-H75 PolarHBondContact O-N 3.09Å; H75-Q78 PolarHBondContact O-N 3.42Å; H75-I79 WeakPolarHBondContact O-CG1 3.14Å; H75-I79 PolarHBondContact O-N 3.23Å
76	H	53.5	Low	53.6	Low	141 Å²	141	87.3 Å²	87.3	65%	0.653	44%	0.443	S	S	*	.	H	α-helix	trans	-68.9	-36.2	178.7	-152.7	-57.9	0	0	0	113	R72 K73 L74	R72-H76 PolarHBondContact O-N 2.78Å; K73-H76 PolarHBondContact O-N 2.78Å; L74-H76 VanDerWaalsContact C-N 3.3Å; L74-H76 PolarHBondContact O-N 2.87Å
77	I	53.6	Low	53	Low	68 Å²	68	87.1 Å²	87.1	35%	0.349	45%	0.445	S	S	.	.	H	α-helix	trans	-73.2	-34.7	176.9	-68.3	166.3	0	0	0	111.2	K73 L74 I79 A80 S81	K73-I77 VanDerWaalsContact O-CG1 3.31Å; K73-I77 WeakPolarHBondContact O-CG1 3.5Å; K73-I77 PolarHBondContact O-N 2.96Å; L74-I77 PolarHBondContact O-N 2.93Å; I77-I79 VanDerWaalsContact C-N 3.25Å; I77-I79 PolarHBondContact O-N 3.26Å; I77-A80 PolarHBondContact O-N 3.13Å; I77-A80 VanDerWaalsContact O-N 3.09Å; I77-S81 PolarHBondContact O-N 3.13Å; I77-S81 VanDerWaalsContact O-N 3.1Å
78	Q	52.5	Low	52.4	Low	55 Å²	55	83.8 Å²	83.8	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-61.1	-31.3	174.9	-175.6	-168.8	-19.3	0	0	113	H57 L74 H75 A80	H57-Q78 PolarHBondContact CE1-OE1 2.88Å; L74-Q78 WeakPolarHBondContact O-CB 3.48Å; L74-Q78 PolarHBondContact O-N 3.46Å; H75-Q78 PolarHBondContact O-N 3.42Å; Q78-A80 VanDerWaalsContact C-N 3.34Å
79	I	48.6	Very low	51.9	Low	125 Å²	125	81.7 Å²	81.7	64%	0.641	43%	0.432	S	S	*	.	H	α-helix	trans	-73.1	-30.5	176.3	-63.9	164.9	0	0	0	110.9	H75 I77	H75-I79 WeakPolarHBondContact O-CG1 3.14Å; H75-I79 PolarHBondContact O-N 3.23Å; I77-I79 VanDerWaalsContact C-N 3.25Å; I77-I79 PolarHBondContact O-N 3.26Å
80	A	48.1	Very low	51.4	Low	89 Å²	89	84.7 Å²	84.7	74%	0.736	44%	0.438	S	S	*	.	H	α-helix	trans	-93.8	-20.2	-172.8	0	0	0	0	0	115	I77 Q78	I77-A80 PolarHBondContact O-N 3.13Å; I77-A80 VanDerWaalsContact O-N 3.09Å; Q78-A80 VanDerWaalsContact C-N 3.34Å
81	S	48	Very low	50.8	Low	56 Å²	56	85.2 Å²	85.2	39%	0.392	44%	0.441	S	S	.	.			trans	-146.3	150.2	-173.1	170	0	0	0	0	112.7	I77 A83	I77-S81 PolarHBondContact O-N 3.13Å; I77-S81 VanDerWaalsContact O-N 3.1Å; S81-A83 VanDerWaalsContact C-N 3.27Å; S81-A83 PolarHBondContact O-N 2.8Å; S81-A83 PolarHBondContact OG-N 2.85Å; S81-A83 VanDerWaalsContact OG-N 3.11Å; S81-A83 PolarHBondContact OG-O 2.85Å
82	T	53.3	Low	50.2	Low	100 Å²	100	84 Å²	84	61%	0.613	44%	0.443	S	S	*	.	S	Bend	trans	-82.2	-0.7	173.6	54.8	0	0	0	0	114.1	K32	K32-T82 HydrophobicContact CD-CG2 4.5Å
83	A	50.3	Low	49.3	Very low	44 Å²	44	79.4 Å²	79.4	36%	0.364	44%	0.436	S	S	.	.	S	Bend	trans	-130.2	134.6	173.7	0	0	0	0	0	110	S81	S81-A83 VanDerWaalsContact C-N 3.27Å; S81-A83 PolarHBondContact O-N 2.8Å; S81-A83 PolarHBondContact OG-N 2.85Å; S81-A83 VanDerWaalsContact OG-N 3.11Å; S81-A83 PolarHBondContact OG-O 2.85Å
84	I	50.7	Low	48.7	Very low	34 Å²	34	82 Å²	82	17%	0.174	46%	0.456	C	S	.	.			trans	-94.9	116.1	-179.5	-63.4	171.6	0	0	0	108.3	I28 L74 V86	I28-I84 VanDerWaalsContact O-O 3.08Å; L74-I84 HydrophobicContact CD2-CG2 3.3Å; I84-V86 HydrophobicContact CG2-CG2 3.99Å
85	K	47.8	Very low	48.2	Very low	147 Å²	147	85 Å²	85	64%	0.639	49%	0.487	S	S	*	.			trans	-107.6	116.4	172.2	-175.7	-178	178	-176.6	0	109
86	V	46.2	Very low	47.4	Very low	37 Å²	37	83.9 Å²	83.9	22%	0.224	49%	0.491	C	S	.	.			trans	-121.3	137.9	169.6	-170.7	0	0	0	0	108	F64 L74 I84	F64-V86 HydrophobicContact CE1-CG1 3.85Å; F64-V86 HydrophobicContact CE2-CG1 3.94Å; F64-V86 HydrophobicContact CZ-CB 4.09Å; F64-V86 HydrophobicContact CZ-CG1 3.33Å; L74-V86 HydrophobicContact CD2-CG2 3.31Å; L74-V86 HydrophobicContact CG-CG2 4.15Å; I84-V86 HydrophobicContact CG2-CG2 3.99Å
87	T	42.6	Very low	46.9	Very low	84 Å²	84	82.8 Å²	82.8	52%	0.515	50%	0.5	S	S	.	.			trans	-129.9	123.9	-179.4	42	0	0	0	0	108.8
88	E	43.4	Very low	46.3	Very low	88 Å²	88	86.1 Å²	86.1	41%	0.411	52%	0.518	S	S	.	.			trans	-134.8	145.2	170.3	178.3	176.6	-148.5	0	0	107.6	E24 F64	E24-E88 CarbonylContact O-C 3.55Å; F64-E88 HydrophobicContact CD1-CB 4.39Å; F64-E88 WeakPolarHBondContact CD1-OE2 3.35Å; F64-E88 HydrophobicContact CE1-CB 3.86Å; F64-E88 VanDerWaalsContact CE1-OE2 3.23Å; F64-E88 WeakPolarHBondContact CE1-OE2 3.33Å
89	T	44	Very low	46.1	Very low	89 Å²	89	93 Å²	93	55%	0.546	54%	0.543	S	S	.	.			trans	-117.7	129.5	-164.5	59.7	0	0	0	0	113.9	E23 E24	E23-T89 HydrophobicContact CB-CG2 4.27Å; E23-T89 HydrophobicContact CG-CG2 3.6Å; E24-T89 VanDerWaalsContact O-CA 3.28Å; E24-T89 WeakPolarHBondContact O-CA 3.38Å
90	R	47.5	Very low	46.1	Very low	102 Å²	102	94.1 Å²	94.1	39%	0.385	55%	0.55	S	S	.	*			trans	-148.4	144.6	166.7	-164.2	179.8	-177.1	-164.6	-2.6	113.9	E23 E24 L102	E23-R90 CarbonylContact C-O 3.52Å; E23-R90 VanDerWaalsContact C-O 3.27Å; E24-R90 VanDerWaalsContact CA-O 3.32Å; E24-R90 WeakPolarHBondContact CA-O 3.31Å; E24-R90 HydrophobicContact CB-CB 4.29Å; E24-R90 WeakPolarHBondContact CB-O 3.48Å; E24-R90 WeakPolarHBondContact CG-O 3.42Å; E24-R90 VanDerWaalsContact N-N 3.2Å; E24-R90 PolarHBondContact N-O 3.5Å; R90-L102 VanDerWaalsContact CZ-CD2 3.42Å; R90-L102 VanDerWaalsContact NH2-CD2 3.33Å; R90-L102 VanDerWaalsContact NH2-CG 3.29Å
91	T	41.9	Very low	46	Very low	34 Å²	34	96.3 Å²	96.3	21%	0.209	55%	0.55	C	S	.	.			trans	-145.1	130.3	172	42.6	0	0	0	0	116.4	G22 E23 V105	G22-T91 WeakPolarHBondContact CA-OG1 3.48Å; G22-T91 PolarHBondContact O-OG1 3.3Å; E23-T91 VanDerWaalsContact C-CG2 3.49Å; E23-T91 VanDerWaalsContact O-CG2 3.3Å; E23-T91 WeakPolarHBondContact O-CG2 3.5Å; T91-V105 WeakPolarHBondContact O-CG1 3.17Å
92	G	46.8	Very low	46.1	Very low	37 Å²	37	98.1 Å²	98.1	38%	0.381	55%	0.554	S	S	.	*			trans	-160.5	171.4	164.9	0	0	0	0	0	113	S107	G92-S107 WeakPolarHBondContact CA-O 3.26Å
93	P	41.1	Very low	45.6	Very low	76 Å²	76	101.6 Å²	101.6	49%	0.494	57%	0.569	S	S	.	*			trans	-79.4	151.4	-177.4	35.6	-27.9	0	0	0	110.7	G95 S107	P93-G95 PolarHBondContact O-N 2.96Å; P93-S107 WeakPolarHBondContact CB-OG 3.35Å; P93-S107 WeakPolarHBondContact CD-OG 3.44Å; P93-S107 WeakPolarHBondContact CG-OG 3.38Å
94	L	46.4	Very low	45.4	Very low	198 Å²	198	102.5 Å²	102.5	100%	1.037	57%	0.573	S	S	*	*	S	Bend	trans	-62.5	93.6	172.4	-81.1	152	0	0	0	110.5
95	G	49	Very low	45.2	Very low	65 Å²	65	103.9 Å²	103.9	67%	0.67	58%	0.583	S	S	*	*			trans	-173.5	43.2	-178.3	0	0	0	0	0	114.3	P93	P93-G95 PolarHBondContact O-N 2.96Å
96	C	40.3	Very low	45	Very low	93 Å²	93	101.7 Å²	101.7	63%	0.628	59%	0.586	S	S	*	*			trans	-134.8	91.8	168.1	-64.2	0	0	0	0	109.9	N98	C96-N98 PolarHBondContact O-N 3Å
97	S	42	Very low	45.2	Very low	118 Å²	118	101.8 Å²	101.8	83%	0.825	59%	0.588	S	S	*	*	S	Bend	trans	-75.1	74.7	164.5	51.8	0	0	0	0	109.4
98	N	41.8	Very low	45.6	Very low	138 Å²	138	100.5 Å²	100.5	74%	0.738	58%	0.58	S	S	*	*			trans	160	133.8	151.1	-86.5	-11.9	0	0	0	109.5	C96 D100	C96-N98 PolarHBondContact O-N 3Å; N98-D100 VanDerWaalsContact C-N 3.25Å; N98-D100 PolarHBondContact O-N 3Å
99	Y	48.5	Very low	45.8	Very low	200 Å²	200	102.3 Å²	102.3	78%	0.784	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-2.6	-168.6	-118	-97.2	0	0	0	114.7
100	D	48.7	Very low	46	Very low	147 Å²	147	101.6 Å²	101.6	79%	0.786	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-3.5	-166.2	-70.4	-28.1	0	0	0	115.6	N98	N98-D100 VanDerWaalsContact C-N 3.25Å; N98-D100 PolarHBondContact O-N 3Å
101	N	45.8	Very low	46	Very low	136 Å²	136	105.9 Å²	105.9	73%	0.727	61%	0.612	S	S	*	*			trans	-125.7	82.6	177.1	-80.8	-28	0	0	0	111.6	D103	N101-D103 VanDerWaalsContact C-N 3.26Å; N101-D103 PolarHBondContact O-N 2.89Å
102	L	50.9	Low	46.5	Very low	94 Å²	94	105.4 Å²	105.4	49%	0.492	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	-7.2	178.3	-92.9	98.8	0	0	0	115.2	R90 S104 V105	R90-L102 VanDerWaalsContact CZ-CD2 3.42Å; R90-L102 VanDerWaalsContact NH2-CD2 3.33Å; R90-L102 VanDerWaalsContact NH2-CG 3.29Å; L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 2.82Å; L102-V105 WeakPolarHBondContact O-CG2 3.37Å
103	D	42.7	Very low	46.6	Very low	172 Å²	172	110 Å²	110	92%	0.92	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	6.4	-172.9	-79	-13	0	0	0	115.5	N101	N101-D103 VanDerWaalsContact C-N 3.26Å; N101-D103 PolarHBondContact O-N 2.89Å
104	S	44.7	Very low	46.9	Very low	63 Å²	63	113.1 Å²	113.1	44%	0.441	64%	0.641	S	S	.	*			trans	-123.6	48.3	-178.5	59.2	0	0	0	0	113.4	L102 S106	L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 2.82Å; S104-S106 PolarHBondContact O-N 2.79Å; S104-S106 PolarHBondContact O-OG 2.84Å
105	V	47.6	Very low	47.5	Very low	63 Å²	63	104.5 Å²	104.5	38%	0.382	60%	0.596	S	S	.	*			trans	-78	73.2	169.8	-153.7	0	0	0	0	109.8	T91 L102	T91-V105 WeakPolarHBondContact O-CG1 3.17Å; L102-V105 WeakPolarHBondContact O-CG2 3.37Å
106	S	44.2	Very low	48.2	Very low	102 Å²	102	109.6 Å²	109.6	71%	0.713	60%	0.6	S	S	*	*			trans	-118.5	54.2	-169.8	51	0	0	0	0	112.7	S104	S104-S106 PolarHBondContact O-N 2.79Å; S104-S106 PolarHBondContact O-OG 2.84Å
107	S	49.7	Very low	49.7	Very low	39 Å²	39	107.4 Å²	107.4	27%	0.273	58%	0.584	S	S	.	*			trans	-154.7	115.9	147.7	92.9	0	0	0	0	111.7	G92 P93	G92-S107 WeakPolarHBondContact CA-O 3.26Å; P93-S107 WeakPolarHBondContact CB-OG 3.35Å; P93-S107 WeakPolarHBondContact CD-OG 3.44Å; P93-S107 WeakPolarHBondContact CG-OG 3.38Å
108	V	49.8	Very low	51.6	Low	57 Å²	57	107.2 Å²	107.2	35%	0.345	57%	0.57	S	S	.	*			trans	-91.8	122.7	173.3	-178.5	0	0	0	0	108.4	L20 G21	L20-V108 HydrophobicContact CB-CB 4.12Å; L20-V108 HydrophobicContact CB-CG1 3.69Å; G21-V108 VanDerWaalsContact C-CG1 3.45Å; G21-V108 WeakPolarHBondContact O-CG1 3.49Å
109	L	49.1	Very low	53.5	Low	126 Å²	126	105.2 Å²	105.2	66%	0.66	56%	0.559	S	S	*	*			trans	-79.5	131.9	173.6	-70.1	169.9	0	0	0	109.8	Q111 S112 N115	L109-Q111 PolarHBondContact O-N 3.25Å; L109-Q111 VanDerWaalsContact O-N 3.15Å; L109-S112 PolarHBondContact O-N 2.77Å; L109-S112 PolarHBondContact O-OG 2.91Å; L109-S112 VanDerWaalsContact O-OG 3.1Å; L109-N115 PolarHBondContact O-ND2 3.38Å
110	V	48.1	Very low	55.2	Low	74 Å²	74	99.1 Å²	99.1	45%	0.448	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.2	179.9	-171.1	0	0	0	0	112.5	L20 N115	L20-V110 HydrophobicContact CD2-CB 4.06Å; L20-V110 HydrophobicContact CD2-CG1 3.98Å; L20-V110 HydrophobicContact CD2-CG2 3.71Å; V110-N115 WeakPolarHBondContact CA-ND2 3.42Å; V110-N115 PolarHBondContact O-ND2 2.85Å
111	Q	47.2	Very low	57	Low	191 Å²	191	92.4 Å²	92.4	89%	0.893	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	7	-177.3	-72.4	-178.3	-21.8	0	0	115	L109	L109-Q111 PolarHBondContact O-N 3.25Å; L109-Q111 VanDerWaalsContact O-N 3.15Å
112	S	51.8	Low	58.9	Low	24 Å²	24	87.1 Å²	87.1	17%	0.168	47%	0.474	C	S	.	.			trans	-63.8	135.3	175.9	-52	0	0	0	0	111.2	G21 L109 E114 N115	G21-S112 PolarHBondContact O-OG 3.38Å; L109-S112 PolarHBondContact O-N 2.77Å; L109-S112 PolarHBondContact O-OG 2.91Å; L109-S112 VanDerWaalsContact O-OG 3.1Å; S112-E114 PolarHBondContact O-N 3.38Å; S112-E114 VanDerWaalsContact O-N 3.08Å; S112-N115 PolarHBondContact N-ND2 3.44Å; S112-N115 WeakPolarHBondContact O-CB 3.31Å; S112-N115 PolarHBondContact O-N 2.94Å
113	P	48.7	Very low	60.6	Low	135 Å²	135	85.6 Å²	85.6	88%	0.877	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.7	-177	24.4	-32.9	0	0	0	114.6
114	E	48.3	Very low	62.8	Low	140 Å²	140	80.7 Å²	80.7	65%	0.654	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	1.3	174.3	-59.7	-144	146	0	0	114.6	S112 K116	S112-E114 PolarHBondContact O-N 3.38Å; S112-E114 VanDerWaalsContact O-N 3.08Å; E114-K116 PolarHBondContact O-N 3.31Å; E114-K116 VanDerWaalsContact O-N 3.16Å
115	N	57.8	Low	64.8	Low	18 Å²	18	83 Å²	83	10%	0.096	45%	0.447	C	S	.	.			trans	-69.7	113.8	176.1	-72.7	-27.2	0	0	0	110.3	T19 G21 L109 V110 S112 V117	T19-N115 PolarHBondContact O-OD1 3.27Å; G21-N115 PolarHBondContact N-OD1 3.41Å; G21-N115 PolarHBondContact O-OD1 3.17Å; L109-N115 PolarHBondContact O-ND2 3.38Å; V110-N115 WeakPolarHBondContact CA-ND2 3.42Å; V110-N115 PolarHBondContact O-ND2 2.85Å; S112-N115 PolarHBondContact N-ND2 3.44Å; S112-N115 WeakPolarHBondContact O-CB 3.31Å; S112-N115 PolarHBondContact O-N 2.94Å; N115-V117 HydrophobicContact CB-CG2 3.95Å; N115-V117 PolarHBondContact O-N 3.38Å; N115-V117 VanDerWaalsContact O-N 3.09Å
116	K	63.8	Low	66.7	Low	171 Å²	171	81.2 Å²	81.2	74%	0.743	44%	0.435	S	S	*	.			trans	-74.2	103.3	168.5	-65.7	-176.8	-178.5	176.5	0	108.7	T19 E114	T19-K116 PolarHBondContact N-O 3.37Å; T19-K116 PolarHBondContact OG1-N 2.84Å; T19-K116 PolarHBondContact OG1-O 2.92Å; E114-K116 PolarHBondContact O-N 3.31Å; E114-K116 VanDerWaalsContact O-N 3.16Å
117	V	73.4	Confident	68.9	Low	48 Å²	48	79.2 Å²	79.2	29%	0.291	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.8	-175.8	174.5	0	0	0	0	111.3	L15 A18 N115 L119	L15-V117 HydrophobicContact CD1-CB 4.32Å; L15-V117 HydrophobicContact CD1-CG1 3.18Å; L15-V117 HydrophobicContact CD1-CG2 4.27Å; L15-V117 HydrophobicContact CG-CG1 4.49Å; A18-V117 HydrophobicContact CB-CG2 4.16Å; N115-V117 HydrophobicContact CB-CG2 3.95Å; N115-V117 PolarHBondContact O-N 3.38Å; N115-V117 VanDerWaalsContact O-N 3.09Å; V117-L119 HydrophobicContact CG1-CD1 3.85Å; V117-L119 HydrophobicContact CG1-CD2 3.47Å; V117-L119 VanDerWaalsContact CG1-CD2 3.47Å; V117-L119 HydrophobicContact CG1-CG 4.17Å; V117-L119 PolarHBondContact O-N 2.95Å
118	Q	80.8	Confident	70.7	Confident	114 Å²	114	83.1 Å²	83.1	53%	0.533	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	87	157.1	165.6	-122.3	28.1	0	0	114.2	L16 T17	L16-Q118 HydrophobicContact CB-CG 4.41Å; L16-Q118 WeakPolarHBondContact CB-O 3.37Å; L16-Q118 HydrophobicContact CD2-CG 4.13Å; L16-Q118 PolarHBondContact N-O 2.9Å; T17-Q118 PolarHBondContact N-O 2.97Å; T17-Q118 WeakPolarHBondContact O-CA 3.26Å; T17-Q118 PolarHBondContact O-N 3.49Å; T17-Q118 PolarHBondContact OG1-OE1 2.85Å
119	L	82.5	Confident	72.5	Confident	96 Å²	96	88.9 Å²	88.9	50%	0.503	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.3	171.3	-84.7	114.7	0	0	0	112.3	H13 L15 V117	H13-L119 HydrophobicContact CB-CB 3.94Å; H13-L119 HydrophobicContact CB-CD2 4.26Å; H13-L119 HydrophobicContact CB-CG 3.79Å; L15-L119 HydrophobicContact CD1-CD2 4.24Å; V117-L119 HydrophobicContact CG1-CD1 3.85Å; V117-L119 HydrophobicContact CG1-CD2 3.47Å; V117-L119 VanDerWaalsContact CG1-CD2 3.47Å; V117-L119 HydrophobicContact CG1-CG 4.17Å; V117-L119 PolarHBondContact O-N 2.95Å
120	Q	84.4	Confident	74.3	Confident	71 Å²	71	85.6 Å²	85.6	33%	0.332	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.5	163.1	-172.1	172.5	23.8	0	0	109.7	H13 F14 L16 V124	H13-Q120 CarbonylContact C-O 3.42Å; H13-Q120 VanDerWaalsContact CA-O 3.26Å; H13-Q120 WeakPolarHBondContact CA-O 3.36Å; H13-Q120 WeakPolarHBondContact CB-O 3.47Å; F14-Q120 VanDerWaalsContact CD1-O 3.31Å; F14-Q120 WeakPolarHBondContact CD1-O 3.23Å; F14-Q120 HydrophobicContact CE1-CB 3.88Å; F14-Q120 HydrophobicContact CE1-CG 4.02Å; F14-Q120 HydrophobicContact CE2-CB 4.3Å; F14-Q120 HydrophobicContact CZ-CB 3.76Å; F14-Q120 HydrophobicContact CZ-CG 3.98Å; F14-Q120 PolarHBondContact N-O 2.84Å; F14-Q120 PolarHBondContact O-N 2.88Å; L16-Q120 HydrophobicContact CB-CB 4.33Å; L16-Q120 HydrophobicContact CD1-CB 4.01Å; Q120-V124 HydrophobicContact CG-CG2 4.24Å
121	G	85.3	Confident	76.2	Confident	6 Å²	6	86.7 Å²	86.7	6%	0.062	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	137	-178.3	0	0	0	0	0	112.5	Q123 V124	G121-Q123 PolarHBondContact O-N 2.95Å; G121-Q123 VanDerWaalsContact O-N 3.1Å; G121-Q123 PolarHBondContact O-OE1 2.83Å; G121-V124 PolarHBondContact O-N 2.85Å
122	L	87.1	Confident	78	Confident	25 Å²	25	85.3 Å²	85.3	13%	0.131	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-62.5	-19.8	-176.2	-166.8	70.3	0	0	0	112.8	L6 T12 F14 V124 I125 F134	L6-L122 HydrophobicContact CD2-CD2 4.18Å; T12-L122 WeakPolarHBondContact O-CB 3.39Å; T12-L122 PolarHBondContact O-N 3.35Å; F14-L122 HydrophobicContact CB-CD1 4.36Å; F14-L122 HydrophobicContact CD1-CD1 4.15Å; L122-V124 PolarHBondContact O-N 2.91Å; L122-I125 HydrophobicContact CD1-CD1 4.41Å; L122-I125 PolarHBondContact O-N 2.82Å; L122-I125 VanDerWaalsContact O-N 3.11Å; L122-F134 HydrophobicContact CB-CE1 3.93Å; L122-F134 HydrophobicContact CB-CZ 3.81Å; L122-F134 HydrophobicContact CD2-CE2 4.21Å; L122-F134 HydrophobicContact CD2-CZ 3.9Å; L122-F134 HydrophobicContact CG-CZ 4.35Å
123	Q	86.4	Confident	79.7	Confident	63 Å²	63	86.9 Å²	86.9	29%	0.294	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-54.8	-26.7	176.6	71.2	-81.2	5.7	0	0	113.6	G121 I125 L126 R131 F134 V135	G121-Q123 PolarHBondContact O-N 2.95Å; G121-Q123 VanDerWaalsContact O-N 3.1Å; G121-Q123 PolarHBondContact O-OE1 2.83Å; Q123-I125 VanDerWaalsContact C-N 3.29Å; Q123-I125 PolarHBondContact O-N 3.35Å; Q123-L126 PolarHBondContact O-N 3.14Å; Q123-R131 WeakPolarHBondContact O-CD 3.34Å; Q123-R131 WeakPolarHBondContact O-CG 3.48Å; Q123-R131 PolarHBondContact O-NE 3.23Å; Q123-F134 HydrophobicContact CB-CD1 3.98Å; Q123-V135 HydrophobicContact CB-CG2 3.95Å; Q123-V135 HydrophobicContact CG-CG2 4.03Å
124	V	87.9	Confident	81.6	Confident	68 Å²	68	80.6 Å²	80.6	41%	0.412	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-67.9	-31.8	-177.9	178.5	0	0	0	0	111.8	Q120 G121 L122 R131	Q120-V124 HydrophobicContact CG-CG2 4.24Å; G121-V124 PolarHBondContact O-N 2.85Å; L122-V124 PolarHBondContact O-N 2.91Å; V124-R131 PolarHBondContact O-NH2 3.08Å
125	I	87.2	Confident	83.4	Confident	112 Å²	112	76.6 Å²	76.6	57%	0.574	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-20.1	-178.9	-56.3	175.7	0	0	0	111.1	F14 L122 Q123	F14-I125 HydrophobicContact CD1-CD1 3.66Å; F14-I125 HydrophobicContact CD1-CG1 4.4Å; F14-I125 HydrophobicContact CD2-CD1 4.24Å; F14-I125 HydrophobicContact CE1-CD1 3.54Å; F14-I125 HydrophobicContact CE1-CG1 3.88Å; F14-I125 HydrophobicContact CE2-CD1 4.13Å; F14-I125 HydrophobicContact CG-CD1 4.02Å; F14-I125 HydrophobicContact CZ-CD1 3.78Å; F14-I125 HydrophobicContact CZ-CG1 4.17Å; L122-I125 HydrophobicContact CD1-CD1 4.41Å; L122-I125 PolarHBondContact O-N 2.82Å; L122-I125 VanDerWaalsContact O-N 3.11Å; Q123-I125 VanDerWaalsContact C-N 3.29Å; Q123-I125 PolarHBondContact O-N 3.35Å
126	L	87.6	Confident	84.7	Confident	25 Å²	25	80.4 Å²	80.4	13%	0.131	40%	0.399	C	S	.	.	S	Bend	trans	-75.5	148.2	-178.1	-63	177.8	0	0	0	112.2	L6 Q123 L130 R131 F134	L6-L126 HydrophobicContact CD2-CD1 3.94Å; L6-L126 HydrophobicContact CD2-CD2 3.95Å; Q123-L126 PolarHBondContact O-N 3.14Å; L126-L130 HydrophobicContact CB-CB 4.49Å; L126-R131 HydrophobicContact CB-CG 4.48Å; L126-R131 PolarHBondContact O-NE 3.05Å; L126-R131 PolarHBondContact O-NH2 3.2Å; L126-F134 HydrophobicContact CD1-CB 3.64Å; L126-F134 HydrophobicContact CD1-CD1 3.87Å; L126-F134 HydrophobicContact CD1-CD2 3.57Å; L126-F134 HydrophobicContact CD1-CE1 4.43Å; L126-F134 HydrophobicContact CD1-CE2 4.19Å; L126-F134 HydrophobicContact CD1-CG 3.38Å
127	P	90.1	Very high	85.8	Confident	61 Å²	61	73 Å²	73	40%	0.396	37%	0.369	S	S	.	.			trans	-54.2	145.5	170.7	-24.7	33.5	0	0	0	112.1	Y129 L130 R131	P127-Y129 HydrophobicContact CB-CD1 3.62Å; P127-Y129 HydrophobicContact CB-CE1 3.26Å; P127-Y129 HydrophobicContact CG-CE1 3.96Å; P127-Y129 PolarHBondContact O-N 3.19Å; P127-Y129 VanDerWaalsContact O-N 3.09Å; P127-L130 PolarHBondContact O-N 2.94Å; P127-R131 PolarHBondContact O-N 2.76Å
128	D	87.3	Confident	86.4	Confident	120 Å²	120	71.2 Å²	71.2	64%	0.642	36%	0.359	S	S	*	.	H	α-helix	trans	-51.7	-40.2	-172.4	-68.5	-41.3	0	0	0	113.5	L130 R131	D128-L130 PolarHBondContact O-N 2.03Å; D128-R131 PolarHBondContact O-N 2.82Å; D128-R131 IonicContact OD1-CZ 2.74Å; D128-R131 IonicContact OD1-NE 3.75Å; D128-R131 PolarHBondContact OD1-NE 3.12Å; D128-R131 IonicContact OD1-NH1 2.75Å; D128-R131 PolarHBondContact OD1-NH1 2.74Å; D128-R131 IonicContact OD1-NH2 3.69Å
129	Y	87.4	Confident	86.6	Confident	179 Å²	179	69.4 Å²	69.4	70%	0.702	35%	0.353	S	S	*	.	H	α-helix	trans	-67.5	-16.5	-179.7	72.3	-88.8	0	0	0	114.6	P127	P127-Y129 HydrophobicContact CB-CD1 3.62Å; P127-Y129 HydrophobicContact CB-CE1 3.26Å; P127-Y129 HydrophobicContact CG-CE1 3.96Å; P127-Y129 PolarHBondContact O-N 3.19Å; P127-Y129 VanDerWaalsContact O-N 3.09Å
130	L	86.9	Confident	86.7	Confident	56 Å²	56	65.5 Å²	65.5	29%	0.293	33%	0.334	S	S	.	.	H	α-helix	trans	-101.6	-12.1	177.7	-68.9	177	0	0	0	113.5	L126 P127 D128 F134	L126-L130 HydrophobicContact CB-CB 4.49Å; P127-L130 PolarHBondContact O-N 2.94Å; D128-L130 PolarHBondContact O-N 2.03Å; L130-F134 WeakPolarHBondContact O-CB 3.43Å; L130-F134 PolarHBondContact O-N 3.42Å
131	R	87.6	Confident	86.7	Confident	97 Å²	97	66.2 Å²	66.2	37%	0.366	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-49.4	-172.1	-65.3	-171.2	174.4	163.9	-1.4	112	Q123 V124 L126 P127 D128 F134 V135	Q123-R131 WeakPolarHBondContact O-CD 3.34Å; Q123-R131 WeakPolarHBondContact O-CG 3.48Å; Q123-R131 PolarHBondContact O-NE 3.23Å; V124-R131 PolarHBondContact O-NH2 3.08Å; L126-R131 HydrophobicContact CB-CG 4.48Å; L126-R131 PolarHBondContact O-NE 3.05Å; L126-R131 PolarHBondContact O-NH2 3.2Å; P127-R131 PolarHBondContact O-N 2.76Å; D128-R131 PolarHBondContact O-N 2.82Å; D128-R131 IonicContact OD1-CZ 2.74Å; D128-R131 IonicContact OD1-NE 3.75Å; D128-R131 PolarHBondContact OD1-NE 3.12Å; D128-R131 IonicContact OD1-NH1 2.75Å; D128-R131 PolarHBondContact OD1-NH1 2.74Å; D128-R131 IonicContact OD1-NH2 3.69Å; R131-F134 PolarHBondContact O-N 3.08Å; R131-V135 VanDerWaalsContact O-CG2 3.3Å; R131-V135 WeakPolarHBondContact O-CG2 3.49Å; R131-V135 PolarHBondContact O-N 3.12Å
132	E	86.1	Confident	86.5	Confident	163 Å²	163	70.6 Å²	70.6	76%	0.762	36%	0.355	S	S	*	.	H	α-helix	trans	-64.7	-49.2	-178	-170.3	176.6	-173	0	0	111.7	F134 V135 Q136	E132-F134 VanDerWaalsContact C-N 3.3Å; E132-F134 PolarHBondContact O-N 3.36Å; E132-V135 PolarHBondContact O-N 3.46Å; E132-Q136 PolarHBondContact O-N 2.83Å
133	S	86.7	Confident	86.2	Confident	57 Å²	57	72 Å²	72	40%	0.399	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-33.7	177.3	-51.7	0	0	0	0	112.8	A137	S133-A137 VanDerWaalsContact O-CB 3.27Å; S133-A137 WeakPolarHBondContact O-CB 3.03Å; S133-A137 PolarHBondContact O-N 2.75Å
134	F	88.5	Confident	86	Confident	2 Å²	2	69 Å²	69	1%	0.009	36%	0.356	C	S	.	.	H	α-helix	trans	-67.9	-44.2	174	179.2	-93.9	0	0	0	111.8	I2 L6 I7 L122 Q123 L126 L130 R131 E132 Q136 A137 A138	I2-F134 HydrophobicContact CG2-CD2 3.71Å; I2-F134 HydrophobicContact CG2-CE2 4.46Å; L6-F134 HydrophobicContact CD2-CD2 3.65Å; L6-F134 HydrophobicContact CD2-CE2 3.53Å; L6-F134 HydrophobicContact CG-CE2 4.49Å; I7-F134 HydrophobicContact CD1-CD2 4.43Å; I7-F134 HydrophobicContact CD1-CE2 4.1Å; I7-F134 HydrophobicContact CG1-CD2 4.18Å; I7-F134 HydrophobicContact CG1-CE2 3.48Å; I7-F134 VanDerWaalsContact CG1-CE2 3.48Å; I7-F134 HydrophobicContact CG1-CZ 4.1Å; L122-F134 HydrophobicContact CB-CE1 3.93Å; L122-F134 HydrophobicContact CB-CZ 3.81Å; L122-F134 HydrophobicContact CD2-CE2 4.21Å; L122-F134 HydrophobicContact CD2-CZ 3.9Å; L122-F134 HydrophobicContact CG-CZ 4.35Å; Q123-F134 HydrophobicContact CB-CD1 3.98Å; L126-F134 HydrophobicContact CD1-CB 3.64Å; L126-F134 HydrophobicContact CD1-CD1 3.87Å; L126-F134 HydrophobicContact CD1-CD2 3.57Å; L126-F134 HydrophobicContact CD1-CE1 4.43Å; L126-F134 HydrophobicContact CD1-CE2 4.19Å; L126-F134 HydrophobicContact CD1-CG 3.38Å; L130-F134 WeakPolarHBondContact O-CB 3.43Å; L130-F134 PolarHBondContact O-N 3.42Å; R131-F134 PolarHBondContact O-N 3.08Å; E132-F134 VanDerWaalsContact C-N 3.3Å; E132-F134 PolarHBondContact O-N 3.36Å; F134-Q136 VanDerWaalsContact C-N 3.35Å; F134-Q136 PolarHBondContact O-N 2.84Å; F134-A137 PolarHBondContact O-N 3.38Å; F134-A138 HydrophobicContact CE1-CB 4.38Å; F134-A138 WeakPolarHBondContact O-CB 3.46Å; F134-A138 PolarHBondContact O-N 3.19Å
135	V	87.1	Confident	85.6	Confident	56 Å²	56	71.7 Å²	71.7	34%	0.339	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176.7	171.1	0	0	0	0	110.5	Q123 R131 E132 A137 A138 L139	Q123-V135 HydrophobicContact CB-CG2 3.95Å; Q123-V135 HydrophobicContact CG-CG2 4.03Å; R131-V135 VanDerWaalsContact O-CG2 3.3Å; R131-V135 WeakPolarHBondContact O-CG2 3.49Å; R131-V135 PolarHBondContact O-N 3.12Å; E132-V135 PolarHBondContact O-N 3.46Å; V135-A137 PolarHBondContact O-N 3.35Å; V135-A138 PolarHBondContact O-N 3.16Å; V135-L139 HydrophobicContact CG1-CD1 4.02Å; V135-L139 HydrophobicContact CG1-CG 4.41Å; V135-L139 WeakPolarHBondContact O-CB 3.38Å; V135-L139 WeakPolarHBondContact O-CG 3.25Å; V135-L139 PolarHBondContact O-N 2.84Å
136	Q	85.7	Confident	85.1	Confident	99 Å²	99	68.5 Å²	68.5	46%	0.463	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-43.2	176.6	-171.6	179	1.5	0	0	112.2	E132 F134 S140	E132-Q136 PolarHBondContact O-N 2.83Å; F134-Q136 VanDerWaalsContact C-N 3.35Å; F134-Q136 PolarHBondContact O-N 2.84Å; Q136-S140 WeakPolarHBondContact O-CB 3.28Å; Q136-S140 PolarHBondContact O-N 3.11Å; Q136-S140 PolarHBondContact O-OG 3.36Å
137	A	85.6	Confident	84.9	Confident	15 Å²	15	70.5 Å²	70.5	12%	0.124	37%	0.371	C	S	.	.	H	α-helix	trans	-66.5	-36.5	176	0	0	0	0	0	112.5	I2 I7 S133 F134 V135 S140 Y141	I2-A137 HydrophobicContact CB-CB 4.25Å; I2-A137 HydrophobicContact CG2-CB 4Å; I7-A137 HydrophobicContact CD1-CB 3.87Å; S133-A137 VanDerWaalsContact O-CB 3.27Å; S133-A137 WeakPolarHBondContact O-CB 3.03Å; S133-A137 PolarHBondContact O-N 2.75Å; F134-A137 PolarHBondContact O-N 3.38Å; V135-A137 PolarHBondContact O-N 3.35Å; A137-S140 PolarHBondContact O-N 2.92Å; A137-Y141 WeakPolarHBondContact O-CB 3.26Å; A137-Y141 PolarHBondContact O-N 3.17Å
138	A	85.4	Confident	84.7	Confident	10 Å²	10	68.2 Å²	68.2	8%	0.083	36%	0.359	C	S	.	.	H	α-helix	trans	-68.6	-42.9	176.6	0	0	0	0	0	112.1	I7 T12 F134 V135 Y141 I142	I7-A138 HydrophobicContact CD1-CB 4.05Å; T12-A138 HydrophobicContact CG2-CB 3.92Å; F134-A138 HydrophobicContact CE1-CB 4.38Å; F134-A138 WeakPolarHBondContact O-CB 3.46Å; F134-A138 PolarHBondContact O-N 3.19Å; V135-A138 PolarHBondContact O-N 3.16Å; A138-Y141 PolarHBondContact O-N 2.95Å; A138-I142 WeakPolarHBondContact O-CB 3.31Å; A138-I142 VanDerWaalsContact O-CG1 3.27Å; A138-I142 WeakPolarHBondContact O-CG1 2.97Å; A138-I142 PolarHBondContact O-N 3.4Å
139	L	85.4	Confident	84.7	Confident	77 Å²	77	68 Å²	68	40%	0.403	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-41.5	173.6	-70	173.7	0	0	0	111.4	V135 Y141 I142 A143 F150	V135-L139 HydrophobicContact CG1-CD1 4.02Å; V135-L139 HydrophobicContact CG1-CG 4.41Å; V135-L139 WeakPolarHBondContact O-CB 3.38Å; V135-L139 WeakPolarHBondContact O-CG 3.25Å; V135-L139 PolarHBondContact O-N 2.84Å; L139-Y141 VanDerWaalsContact C-N 3.33Å; L139-Y141 PolarHBondContact O-N 3.41Å; L139-I142 PolarHBondContact O-N 2.8Å; L139-A143 VanDerWaalsContact O-CB 3.22Å; L139-A143 WeakPolarHBondContact O-CB 3.01Å; L139-A143 PolarHBondContact O-N 2.77Å; L139-F150 HydrophobicContact CB-CB 4.3Å; L139-F150 HydrophobicContact CB-CD1 3.85Å; L139-F150 HydrophobicContact CB-CE1 4.45Å; L139-F150 HydrophobicContact CB-CG 4.21Å; L139-F150 HydrophobicContact CD1-CD1 4.2Å; L139-F150 HydrophobicContact CD1-CE1 4.32Å
140	S	85.1	Confident	84.7	Confident	13 Å²	13	61.9 Å²	61.9	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-62.1	-40	174.4	-56	0	0	0	0	112.1	Q136 A137 C144 G146 F150	Q136-S140 WeakPolarHBondContact O-CB 3.28Å; Q136-S140 PolarHBondContact O-N 3.11Å; Q136-S140 PolarHBondContact O-OG 3.36Å; A137-S140 PolarHBondContact O-N 2.92Å; S140-C144 WeakPolarHBondContact O-CA 3.41Å; S140-C144 WeakPolarHBondContact O-CB 3.4Å; S140-C144 PolarHBondContact O-N 3.16Å; S140-C144 VanDerWaalsContact O-N 3.09Å; S140-G146 PolarHBondContact O-N 3.35Å; S140-F150 PolarHBondContact OG-N 3.46Å
141	Y	84.3	Confident	84.8	Confident	86 Å²	86	61.1 Å²	61.1	34%	0.337	33%	0.329	S	S	.	.	H	α-helix	trans	-68.8	-42	177.2	-176.7	-109.8	0	0	0	112.9	T3 I7 K8 A137 A138 L139 N145 G146	T3-Y141 HydrophobicContact CG2-CD2 3.62Å; T3-Y141 HydrophobicContact CG2-CE2 4.42Å; T3-Y141 HydrophobicContact CG2-CG 4.08Å; I7-Y141 HydrophobicContact CG2-CD1 3.51Å; I7-Y141 HydrophobicContact CG2-CE1 3.91Å; I7-Y141 HydrophobicContact CG2-CG 3.95Å; K8-Y141 HydrophobicContact CG-CE2 4.23Å; A137-Y141 WeakPolarHBondContact O-CB 3.26Å; A137-Y141 PolarHBondContact O-N 3.17Å; A138-Y141 PolarHBondContact O-N 2.95Å; L139-Y141 VanDerWaalsContact C-N 3.33Å; L139-Y141 PolarHBondContact O-N 3.41Å; Y141-N145 CarbonylContact O-C 3.41Å; Y141-N145 VanDerWaalsContact O-CA 3.29Å; Y141-N145 WeakPolarHBondContact O-CA 3.44Å; Y141-N145 PolarHBondContact O-N 3.46Å; Y141-G146 PolarHBondContact O-N 2.92Å
142	I	81.2	Confident	84.7	Confident	98 Å²	98	59.7 Å²	59.7	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-77.4	-46.1	-177.2	-65.5	165.9	0	0	0	111.8	T12 A138 L139	T12-I142 HydrophobicContact CG2-CD1 4.04Å; T12-I142 HydrophobicContact CG2-CG1 4.4Å; A138-I142 WeakPolarHBondContact O-CB 3.31Å; A138-I142 VanDerWaalsContact O-CG1 3.27Å; A138-I142 WeakPolarHBondContact O-CG1 2.97Å; A138-I142 PolarHBondContact O-N 3.4Å; L139-I142 PolarHBondContact O-N 2.8Å
143	A	80.1	Confident	84.7	Confident	54 Å²	54	58.2 Å²	58.2	45%	0.446	32%	0.324	S	S	.	.	H	α-helix	trans	-86.9	-28.3	-172.8	0	0	0	0	0	113.2	L139 F150	L139-A143 VanDerWaalsContact O-CB 3.22Å; L139-A143 WeakPolarHBondContact O-CB 3.01Å; L139-A143 PolarHBondContact O-N 2.77Å; A143-F150 HydrophobicContact CB-CD2 3.63Å; A143-F150 HydrophobicContact CB-CE2 3.77Å; A143-F150 HydrophobicContact CB-CG 4.48Å
144	C	82.1	Confident	84.4	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	35%	0.348	C	S	.	.	S	Bend	trans	-112.9	12.5	-176.6	-45	0	0	0	0	113	S140 G146 E147 C159	S140-C144 WeakPolarHBondContact O-CA 3.41Å; S140-C144 WeakPolarHBondContact O-CB 3.4Å; S140-C144 PolarHBondContact O-N 3.16Å; S140-C144 VanDerWaalsContact O-N 3.09Å; C144-G146 PolarHBondContact O-N 2.93Å; C144-E147 PolarHBondContact O-N 3.43Å; C144-C159 WeakPolarHBondContact CA-SG 3.43Å; C144-C159 HydrophobicContact CB-CB 3.55Å; C144-C159 WeakPolarHBondContact CB-SG 3.48Å; C144-C159 VanDerWaalsContact SG-CA 3.59Å; C144-C159 WeakPolarHBondContact SG-CB 3.21Å; C144-C159 CovalentContact SG-SG 2.01Å; C144-C159 PolarHBondContact SG-SG 3.02Å
145	N	80.4	Confident	84.1	Confident	125 Å²	125	71.6 Å²	71.6	67%	0.668	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	19.9	-173.7	-66.4	-24.9	0	0	0	114.6	Y141 E147	Y141-N145 CarbonylContact O-C 3.41Å; Y141-N145 VanDerWaalsContact O-CA 3.29Å; Y141-N145 WeakPolarHBondContact O-CA 3.44Å; Y141-N145 PolarHBondContact O-N 3.46Å; N145-E147 VanDerWaalsContact C-N 3.28Å; N145-E147 PolarHBondContact O-N 3.35Å
146	G	76.9	Confident	83.8	Confident	44 Å²	44	71.4 Å²	71.4	45%	0.454	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	11.4	-174.2	0	0	0	0	0	115.3	S140 Y141 C144	S140-G146 PolarHBondContact O-N 3.35Å; Y141-G146 PolarHBondContact O-N 2.92Å; C144-G146 PolarHBondContact O-N 2.93Å
147	E	84.3	Confident	83.8	Confident	67 Å²	67	69.6 Å²	69.6	31%	0.313	39%	0.386	S	S	.	.	S	Bend	trans	-94.8	2.4	179.4	-62.4	179.6	171.4	0	0	113.2	C144 N145 D162 F165 C168	C144-E147 PolarHBondContact O-N 3.43Å; N145-E147 VanDerWaalsContact C-N 3.28Å; N145-E147 PolarHBondContact O-N 3.35Å; E147-D162 WeakPolarHBondContact O-CB 3.16Å; E147-D162 PolarHBondContact O-N 2.77Å; E147-F165 HydrophobicContact CB-CB 3.96Å; E147-F165 HydrophobicContact CB-CD2 4.22Å; E147-F165 HydrophobicContact CB-CG 4.08Å; E147-F165 HydrophobicContact CG-CB 4.4Å; E147-F165 HydrophobicContact CG-CD1 4.31Å; E147-F165 HydrophobicContact CG-CD2 4.28Å; E147-F165 HydrophobicContact CG-CG 4.08Å; E147-C168 HydrophobicContact CB-CB 3.9Å
148	G	85.4	Confident	83.8	Confident	14 Å²	14	71.8 Å²	71.8	14%	0.144	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	178.1	179.7	0	0	0	0	0	112.8	N160	G148-N160 CarbonylContact C-O 3.27Å; G148-N160 WeakPolarHBondContact CA-O 3.47Å
149	E	87.1	Confident	83.9	Confident	116 Å²	116	71.7 Å²	71.7	54%	0.542	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.8	178.5	-66.1	-175.8	167.4	0	0	111.3	C159 N160	E149-C159 CarbonylContact O-C 3.51Å; E149-C159 WeakPolarHBondContact O-CA 3.46Å; E149-N160 PolarHBondContact N-O 2.96Å; E149-N160 PolarHBondContact O-N 2.92Å
150	F	87.1	Confident	84	Confident	49 Å²	49	72.7 Å²	72.7	22%	0.215	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.1	178	-172.6	-104.7	0	0	0	111.3	L139 S140 A143 C152 C157	L139-F150 HydrophobicContact CB-CB 4.3Å; L139-F150 HydrophobicContact CB-CD1 3.85Å; L139-F150 HydrophobicContact CB-CE1 4.45Å; L139-F150 HydrophobicContact CB-CG 4.21Å; L139-F150 HydrophobicContact CD1-CD1 4.2Å; L139-F150 HydrophobicContact CD1-CE1 4.32Å; S140-F150 PolarHBondContact OG-N 3.46Å; A143-F150 HydrophobicContact CB-CD2 3.63Å; A143-F150 HydrophobicContact CB-CE2 3.77Å; A143-F150 HydrophobicContact CB-CG 4.48Å; F150-C152 WeakPolarHBondContact CE1-SG 3.36Å; F150-C157 HydrophobicContact CE1-CB 4.31Å; F150-C157 HydrophobicContact CE2-CB 3.93Å; F150-C157 HydrophobicContact CZ-CB 3.54Å
151	V	88	Confident	84.1	Confident	40 Å²	40	73.4 Å²	73.4	24%	0.242	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.4	-177.1	-177.7	0	0	0	0	110	K153 C157 W158 N160	V151-K153 HydrophobicContact CG1-CG 4.31Å; V151-C157 CarbonylContact O-C 3.54Å; V151-C157 WeakPolarHBondContact O-CA 3.46Å; V151-W158 PolarHBondContact N-O 3.22Å; V151-W158 PolarHBondContact O-N 2.77Å; V151-N160 HydrophobicContact CG2-CB 4.39Å
152	C	86.2	Confident	84.1	Confident	68 Å²	68	72.6 Å²	72.6	46%	0.459	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.3	172.3	-62.1	0	0	0	0	110.4	F150 D156 C157	F150-C152 WeakPolarHBondContact CE1-SG 3.36Å; C152-D156 WeakPolarHBondContact CA-O 3.35Å; C152-C157 HydrophobicContact CB-CB 4.1Å; C152-C157 WeakPolarHBondContact CB-SG 3.36Å; C152-C157 WeakPolarHBondContact SG-CB 3.4Å; C152-C157 CovalentContact SG-SG 2.04Å; C152-C157 PolarHBondContact SG-SG 2.75Å
153	K	86.3	Confident	84.2	Confident	131 Å²	131	73.9 Å²	73.9	57%	0.57	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	135.7	169.4	-62.3	-171.9	179.7	-179.6	0	109.3	V151 N155 D156 W158	V151-K153 HydrophobicContact CG1-CG 4.31Å; K153-N155 VanDerWaalsContact C-N 3.32Å; K153-N155 PolarHBondContact O-N 3.39Å; K153-D156 PolarHBondContact N-O 3.21Å; K153-D156 PolarHBondContact O-N 3.3Å; K153-D156 VanDerWaalsContact O-O 3.06Å; K153-W158 HydrophobicContact CB-CH2 3.79Å; K153-W158 HydrophobicContact CB-CZ3 3.98Å; K153-W158 HydrophobicContact CD-CH2 3.97Å; K153-W158 HydrophobicContact CG-CH2 3.88Å; K153-W158 HydrophobicContact CG-CZ3 4.39Å
154	D	80.8	Confident	84.5	Confident	167 Å²	167	79.4 Å²	79.4	89%	0.893	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	46.3	174.8	-53.3	-42.8	0	0	0	114.3	D156	D154-D156 PolarHBondContact O-N 3.28Å
155	N	81.3	Confident	84.5	Confident	174 Å²	174	84 Å²	84	93%	0.93	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	11.6	-175.5	-67.9	-18.1	0	0	0	116.2	K153	K153-N155 VanDerWaalsContact C-N 3.32Å; K153-N155 PolarHBondContact O-N 3.39Å
156	D	81.1	Confident	84.4	Confident	51 Å²	51	81.7 Å²	81.7	27%	0.273	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.5	171.4	-159.5	-17.8	0	0	0	108.8	C152 K153 D154 W158 K260 R261	C152-D156 WeakPolarHBondContact CA-O 3.35Å; K153-D156 PolarHBondContact N-O 3.21Å; K153-D156 PolarHBondContact O-N 3.3Å; K153-D156 VanDerWaalsContact O-O 3.06Å; D154-D156 PolarHBondContact O-N 3.28Å; D156-W158 HydrophobicContact CB-CZ3 4.4Å; D156-W158 WeakPolarHBondContact O-CZ3 3.18Å; D156-K260 IonicContact OD2-NZ 3.73Å; D156-K260 PolarHBondContact OD2-NZ 2.9Å; D156-R261 IonicContact OD1-CZ 3.19Å; D156-R261 IonicContact OD1-NE 3.53Å; D156-R261 IonicContact OD1-NH2 3.81Å; D156-R261 PolarHBondContact OD1-NH2 2.95Å; D156-R261 IonicContact OD2-CZ 3.41Å; D156-R261 IonicContact OD2-NH2 3.95Å; D156-R261 PolarHBondContact OD2-NH2 3.4Å
157	C	85.7	Confident	84.5	Confident	61 Å²	61	85.3 Å²	85.3	41%	0.412	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.9	-178.2	-63.9	0	0	0	0	110.4	F150 V151 C152	F150-C157 HydrophobicContact CE1-CB 4.31Å; F150-C157 HydrophobicContact CE2-CB 3.93Å; F150-C157 HydrophobicContact CZ-CB 3.54Å; V151-C157 CarbonylContact O-C 3.54Å; V151-C157 WeakPolarHBondContact O-CA 3.46Å; C152-C157 HydrophobicContact CB-CB 4.1Å; C152-C157 WeakPolarHBondContact CB-SG 3.36Å; C152-C157 WeakPolarHBondContact SG-CB 3.4Å; C152-C157 CovalentContact SG-SG 2.04Å; C152-C157 PolarHBondContact SG-SG 2.75Å
158	W	86.4	Confident	84.4	Confident	62 Å²	62	82.9 Å²	82.9	24%	0.235	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	169.9	-178.8	68.9	98.3	0	0	0	112.4	V151 K153 D156 R261	V151-W158 PolarHBondContact N-O 3.22Å; V151-W158 PolarHBondContact O-N 2.77Å; K153-W158 HydrophobicContact CB-CH2 3.79Å; K153-W158 HydrophobicContact CB-CZ3 3.98Å; K153-W158 HydrophobicContact CD-CH2 3.97Å; K153-W158 HydrophobicContact CG-CH2 3.88Å; K153-W158 HydrophobicContact CG-CZ3 4.39Å; D156-W158 HydrophobicContact CB-CZ3 4.4Å; D156-W158 WeakPolarHBondContact O-CZ3 3.18Å; W158-R261 VanDerWaalsContact CD2-CZ 3.48Å; W158-R261 VanDerWaalsContact CG-CZ 3.45Å
159	C	87.4	Confident	84.2	Confident	7 Å²	7	84.3 Å²	84.3	5%	0.047	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.4	175	-56.8	0	0	0	0	110.1	C144 E149 C161 C168 N169	C144-C159 WeakPolarHBondContact CA-SG 3.43Å; C144-C159 HydrophobicContact CB-CB 3.55Å; C144-C159 WeakPolarHBondContact CB-SG 3.48Å; C144-C159 VanDerWaalsContact SG-CA 3.59Å; C144-C159 WeakPolarHBondContact SG-CB 3.21Å; C144-C159 CovalentContact SG-SG 2.01Å; C144-C159 PolarHBondContact SG-SG 3.02Å; E149-C159 CarbonylContact O-C 3.51Å; E149-C159 WeakPolarHBondContact O-CA 3.46Å; C159-C161 PolarHBondContact O-N 2.98Å; C159-C168 WeakPolarHBondContact CB-SG 3.39Å; C159-N169 WeakPolarHBondContact CA-OD1 3.37Å; C159-N169 WeakPolarHBondContact CB-OD1 3.33Å; C159-N169 PolarHBondContact N-OD1 2.98Å; C159-N169 PolarHBondContact O-ND2 3.35Å; C159-N169 PolarHBondContact O-OD1 3.19Å
160	N	87.8	Confident	84.1	Confident	98 Å²	98	80 Å²	80	52%	0.524	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	99.1	163.4	-173	32.3	0	0	0	107.9	G148 E149 V151	G148-N160 CarbonylContact C-O 3.27Å; G148-N160 WeakPolarHBondContact CA-O 3.47Å; E149-N160 PolarHBondContact N-O 2.96Å; E149-N160 PolarHBondContact O-N 2.92Å; V151-N160 HydrophobicContact CG2-CB 4.39Å
161	C	86.8	Confident	83.9	Confident	29 Å²	29	79.5 Å²	79.5	20%	0.196	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.3	-173.4	-59.3	0	0	0	0	112.3	C159 F165 C168 N169	C159-C161 PolarHBondContact O-N 2.98Å; C161-F165 VanDerWaalsContact CB-O 3.27Å; C161-F165 WeakPolarHBondContact CB-O 3.14Å; C161-C168 WeakPolarHBondContact CA-SG 3.41Å; C161-C168 HydrophobicContact CB-CB 3.84Å; C161-C168 WeakPolarHBondContact CB-SG 3.42Å; C161-C168 WeakPolarHBondContact SG-CB 3.32Å; C161-C168 PolarHBondContact SG-N 3.42Å; C161-C168 VanDerWaalsContact SG-N 3.43Å; C161-C168 CovalentContact SG-SG 2.03Å; C161-C168 PolarHBondContact SG-SG 3.12Å; C161-N169 PolarHBondContact SG-ND2 3.09Å; C161-N169 VanDerWaalsContact SG-ND2 3.41Å
162	D	84.4	Confident	83.6	Confident	69 Å²	69	83.5 Å²	83.5	37%	0.369	44%	0.438	S	S	.	.			trans	-61.7	141.5	166.8	-171	-61.6	0	0	0	109.1	E147 K164 F165	E147-D162 WeakPolarHBondContact O-CB 3.16Å; E147-D162 PolarHBondContact O-N 2.77Å; D162-K164 PolarHBondContact O-N 2.72Å; D162-K164 WeakPolarHBondContact OD1-CB 3.43Å; D162-K164 WeakPolarHBondContact OD1-CG 3.5Å; D162-K164 PolarHBondContact OD1-N 2.99Å; D162-F165 HydrophobicContact CB-CD2 4.43Å; D162-F165 CarbonylContact O-C 3.53Å; D162-F165 VanDerWaalsContact O-C 3.27Å; D162-F165 PolarHBondContact O-N 3.21Å
163	P	83.8	Confident	83.5	Confident	125 Å²	125	86.8 Å²	86.8	81%	0.812	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.4	176.3	20.8	-34.2	0	0	0	114.5	F165	P163-F165 VanDerWaalsContact C-N 3.33Å
164	K	85.3	Confident	83.5	Confident	169 Å²	169	84.9 Å²	84.9	74%	0.735	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-23.1	172.8	-65.8	175.8	-175.6	173.4	0	113.7	D162	D162-K164 PolarHBondContact O-N 2.72Å; D162-K164 WeakPolarHBondContact OD1-CB 3.43Å; D162-K164 WeakPolarHBondContact OD1-CG 3.5Å; D162-K164 PolarHBondContact OD1-N 2.99Å
165	F	82	Confident	83.7	Confident	97 Å²	97	77 Å²	77	43%	0.425	40%	0.402	S	S	.	.			trans	-131	63.7	-175.5	-58.8	-79.6	0	0	0	111	E147 C161 D162 P163 E167 C168	E147-F165 HydrophobicContact CB-CB 3.96Å; E147-F165 HydrophobicContact CB-CD2 4.22Å; E147-F165 HydrophobicContact CB-CG 4.08Å; E147-F165 HydrophobicContact CG-CB 4.4Å; E147-F165 HydrophobicContact CG-CD1 4.31Å; E147-F165 HydrophobicContact CG-CD2 4.28Å; E147-F165 HydrophobicContact CG-CG 4.08Å; C161-F165 VanDerWaalsContact CB-O 3.27Å; C161-F165 WeakPolarHBondContact CB-O 3.14Å; D162-F165 HydrophobicContact CB-CD2 4.43Å; D162-F165 CarbonylContact O-C 3.53Å; D162-F165 VanDerWaalsContact O-C 3.27Å; D162-F165 PolarHBondContact O-N 3.21Å; P163-F165 VanDerWaalsContact C-N 3.33Å; F165-E167 PolarHBondContact O-N 3.2Å; F165-C168 WeakPolarHBondContact O-CB 3.19Å; F165-C168 PolarHBondContact O-N 3.21Å; F165-C168 VanDerWaalsContact O-N 3.11Å
166	P	79.6	Confident	84.1	Confident	77 Å²	77	71.7 Å²	71.7	50%	0.5	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.9	-174.7	27.2	-36.1	0	0	0	114.3
167	E	78.4	Confident	84.5	Confident	120 Å²	120	71.4 Å²	71.4	56%	0.561	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	13.3	179.6	-60.3	-170.5	165.8	0	0	113.6	F165 N169 C170	F165-E167 PolarHBondContact O-N 3.2Å; E167-N169 PolarHBondContact O-N 3.43Å; E167-C170 HydrophobicContact CB-CB 4.32Å; E167-C170 WeakPolarHBondContact O-CA 3.49Å; E167-C170 VanDerWaalsContact O-CB 3.28Å; E167-C170 WeakPolarHBondContact O-CB 3.3Å; E167-C170 PolarHBondContact O-N 2.98Å
168	C	81.8	Confident	84.7	Confident	16 Å²	16	70.8 Å²	70.8	11%	0.108	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.9	-175.2	85.1	0	0	0	0	114.7	E147 C159 C161 F165 C170	E147-C168 HydrophobicContact CB-CB 3.9Å; C159-C168 WeakPolarHBondContact CB-SG 3.39Å; C161-C168 WeakPolarHBondContact CA-SG 3.41Å; C161-C168 HydrophobicContact CB-CB 3.84Å; C161-C168 WeakPolarHBondContact CB-SG 3.42Å; C161-C168 WeakPolarHBondContact SG-CB 3.32Å; C161-C168 PolarHBondContact SG-N 3.42Å; C161-C168 VanDerWaalsContact SG-N 3.43Å; C161-C168 CovalentContact SG-SG 2.03Å; C161-C168 PolarHBondContact SG-SG 3.12Å; F165-C168 WeakPolarHBondContact O-CB 3.19Å; F165-C168 PolarHBondContact O-N 3.21Å; F165-C168 VanDerWaalsContact O-N 3.11Å; C168-C170 VanDerWaalsContact C-N 3.3Å
169	N	81.8	Confident	84.8	Confident	45 Å²	45	69.1 Å²	69.1	24%	0.241	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.8	176	-74	-58.7	0	0	0	113.8	C159 C161 E167 P171 R261	C159-N169 WeakPolarHBondContact CA-OD1 3.37Å; C159-N169 WeakPolarHBondContact CB-OD1 3.33Å; C159-N169 PolarHBondContact N-OD1 2.98Å; C159-N169 PolarHBondContact O-ND2 3.35Å; C159-N169 PolarHBondContact O-OD1 3.19Å; C161-N169 PolarHBondContact SG-ND2 3.09Å; C161-N169 VanDerWaalsContact SG-ND2 3.41Å; E167-N169 PolarHBondContact O-N 3.43Å; N169-P171 VanDerWaalsContact O-CD 3.32Å; N169-P171 WeakPolarHBondContact O-CD 3.19Å; N169-R261 HydrophobicContact CB-CB 4.2Å
170	C	84.5	Confident	85	Confident	26 Å²	26	72.4 Å²	72.4	18%	0.176	38%	0.377	C	S	.	.			trans	-105.7	107	-167.2	-156	0	0	0	0	112.5	E167 C168 Y172 I175 C262	E167-C170 HydrophobicContact CB-CB 4.32Å; E167-C170 WeakPolarHBondContact O-CA 3.49Å; E167-C170 VanDerWaalsContact O-CB 3.28Å; E167-C170 WeakPolarHBondContact O-CB 3.3Å; E167-C170 PolarHBondContact O-N 2.98Å; C168-C170 VanDerWaalsContact C-N 3.3Å; C170-Y172 PolarHBondContact O-N 3.37Å; C170-I175 VanDerWaalsContact SG-CD1 3.59Å; C170-C262 WeakPolarHBondContact CA-SG 2.94Å; C170-C262 HydrophobicContact CB-CB 4.05Å; C170-C262 WeakPolarHBondContact CB-SG 3.23Å; C170-C262 WeakPolarHBondContact SG-CB 3.2Å; C170-C262 CovalentContact SG-SG 2.05Å; C170-C262 PolarHBondContact SG-SG 3.32Å
171	P	83.3	Confident	85.2	Confident	38 Å²	38	68.8 Å²	68.8	25%	0.247	36%	0.36	C	S	.	.			trans	-80.2	84.2	177.8	32.2	-33.5	0	0	0	110.5	N169 M173 D174 I175 L258	N169-P171 VanDerWaalsContact O-CD 3.32Å; N169-P171 WeakPolarHBondContact O-CD 3.19Å; P171-M173 VanDerWaalsContact C-N 3.34Å; P171-M173 PolarHBondContact O-N 2.93Å; P171-D174 HydrophobicContact CB-CB 4.09Å; P171-D174 WeakPolarHBondContact CB-OD2 3.26Å; P171-D174 HydrophobicContact CG-CB 4.44Å; P171-D174 PolarHBondContact O-N 3.36Å; P171-I175 WeakPolarHBondContact O-CG1 3.45Å; P171-I175 PolarHBondContact O-N 3.33Å; P171-L258 HydrophobicContact CG-CB 4.3Å; P171-L258 HydrophobicContact CG-CD2 3.83Å
172	Y	81.7	Confident	85.4	Confident	123 Å²	123	67.8 Å²	67.8	48%	0.482	35%	0.353	S	S	.	.	H	α-helix	trans	-54.6	-46.6	-174.4	-177.4	-86	0	0	0	113.1	C170 D174 I175 Q176	C170-Y172 PolarHBondContact O-N 3.37Å; Y172-D174 PolarHBondContact O-N 3.09Å; Y172-I175 PolarHBondContact O-N 3.1Å; Y172-Q176 VanDerWaalsContact CE1-OE1 3.23Å; Y172-Q176 WeakPolarHBondContact O-CB 3.41Å; Y172-Q176 PolarHBondContact O-N 3.42Å
173	M	83.3	Confident	85.6	Confident	138 Å²	138	70.3 Å²	70.3	68%	0.68	36%	0.362	S	S	*	.	H	α-helix	trans	-64.9	-38.6	-178.2	-65.6	-56.7	-62.2	0	0	112.3	P171 A177	P171-M173 VanDerWaalsContact C-N 3.34Å; P171-M173 PolarHBondContact O-N 2.93Å; M173-A177 WeakPolarHBondContact O-CB 3.34Å; M173-A177 PolarHBondContact O-N 2.97Å
174	D	85.9	Confident	86	Confident	91 Å²	91	71.8 Å²	71.8	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-72	-39.8	179.1	-64.4	-42.5	0	0	0	111.5	P171 Y172 A177 M178 L258	P171-D174 HydrophobicContact CB-CB 4.09Å; P171-D174 WeakPolarHBondContact CB-OD2 3.26Å; P171-D174 HydrophobicContact CG-CB 4.44Å; P171-D174 PolarHBondContact O-N 3.36Å; Y172-D174 PolarHBondContact O-N 3.09Å; D174-A177 PolarHBondContact O-N 2.96Å; D174-M178 VanDerWaalsContact O-CG 3.32Å; D174-M178 WeakPolarHBondContact O-CG 3.32Å; D174-M178 PolarHBondContact O-N 2.87Å; D174-L258 HydrophobicContact CB-CD1 4.11Å
175	I	86.6	Confident	86.3	Confident	2 Å²	2	64 Å²	64	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-48	175.1	-68.2	170	0	0	0	109.9	C170 P171 Y172 A177 M178 E179 L258 C262	C170-I175 VanDerWaalsContact SG-CD1 3.59Å; P171-I175 WeakPolarHBondContact O-CG1 3.45Å; P171-I175 PolarHBondContact O-N 3.33Å; Y172-I175 PolarHBondContact O-N 3.1Å; I175-A177 VanDerWaalsContact C-N 3.34Å; I175-A177 PolarHBondContact O-N 3.35Å; I175-M178 PolarHBondContact O-N 3.1Å; I175-E179 WeakPolarHBondContact O-CG 3.34Å; I175-E179 PolarHBondContact O-N 3.15Å; I175-L258 HydrophobicContact CG1-CB 4.05Å; I175-C262 VanDerWaalsContact CD1-SG 3.55Å
176	Q	88.1	Confident	86.7	Confident	62 Å²	62	61.9 Å²	61.9	29%	0.29	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-43.3	177.1	-176.6	177.4	-18	0	0	111.6	Y172 M178 E179 E180	Y172-Q176 VanDerWaalsContact CE1-OE1 3.23Å; Y172-Q176 WeakPolarHBondContact O-CB 3.41Å; Y172-Q176 PolarHBondContact O-N 3.42Å; Q176-M178 VanDerWaalsContact C-N 3.3Å; Q176-M178 PolarHBondContact O-N 2.68Å; Q176-E179 PolarHBondContact O-N 3.42Å; Q176-E180 HydrophobicContact CG-CG 4.47Å; Q176-E180 PolarHBondContact NE2-OE1 3.08Å; Q176-E180 WeakPolarHBondContact O-CG 3.41Å; Q176-E180 PolarHBondContact O-N 3.18Å
177	A	89.2	Confident	87.2	Confident	45 Å²	45	63.7 Å²	63.7	37%	0.372	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-35.7	177	0	0	0	0	0	112.8	M173 D174 I175 S181	M173-A177 WeakPolarHBondContact O-CB 3.34Å; M173-A177 PolarHBondContact O-N 2.97Å; D174-A177 PolarHBondContact O-N 2.96Å; I175-A177 VanDerWaalsContact C-N 3.34Å; I175-A177 PolarHBondContact O-N 3.35Å; A177-S181 WeakPolarHBondContact O-CB 2.95Å; A177-S181 PolarHBondContact O-N 2.74Å
178	M	90.6	Very high	87.9	Confident	47 Å²	47	60.9 Å²	60.9	23%	0.232	31%	0.306	C	S	.	.	H	α-helix	trans	-71	-39	174.3	-67.5	-56.8	110.9	0	0	112.2	D174 I175 Q176 S181 L182 V251 K254 L255 L258	D174-M178 VanDerWaalsContact O-CG 3.32Å; D174-M178 WeakPolarHBondContact O-CG 3.32Å; D174-M178 PolarHBondContact O-N 2.87Å; I175-M178 PolarHBondContact O-N 3.1Å; Q176-M178 VanDerWaalsContact C-N 3.3Å; Q176-M178 PolarHBondContact O-N 2.68Å; M178-S181 WeakPolarHBondContact O-CB 3.43Å; M178-S181 PolarHBondContact O-N 3.49Å; M178-L182 PolarHBondContact O-N 2.85Å; M178-V251 HydrophobicContact CB-CG1 4.04Å; M178-V251 WeakPolarHBondContact O-CG1 3.45Å; M178-V251 HydrophobicContact SD-CG1 4.07Å; M178-K254 HydrophobicContact SD-CD 4.48Å; M178-L255 HydrophobicContact CB-CB 4.23Å; M178-L255 HydrophobicContact CB-CD1 4.08Å; M178-L258 HydrophobicContact CG-CD1 4.19Å
179	E	89.8	Confident	88.3	Confident	28 Å²	28	60.4 Å²	60.4	13%	0.131	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-49.2	174.4	-72.6	179.8	158.2	0	0	111.2	I175 Q176 S181 L182 E183 L255 R264 P266 Q267	I175-E179 WeakPolarHBondContact O-CG 3.34Å; I175-E179 PolarHBondContact O-N 3.15Å; Q176-E179 PolarHBondContact O-N 3.42Å; E179-S181 PolarHBondContact O-N 3.39Å; E179-L182 WeakPolarHBondContact O-CB 3.4Å; E179-L182 PolarHBondContact O-N 3.19Å; E179-E183 PolarHBondContact O-N 2.85Å; E179-L255 HydrophobicContact CG-CD1 3.86Å; E179-R264 IonicContact OE1-NH2 3.22Å; E179-R264 IonicContact OE2-CZ 3.59Å; E179-R264 IonicContact OE2-NH2 2.59Å; E179-R264 PolarHBondContact OE2-NH2 2.68Å; E179-P266 WeakPolarHBondContact OE1-CA 3.29Å; E179-Q267 PolarHBondContact OE1-N 3.17Å
180	E	90.8	Very high	88.8	Confident	75 Å²	75	60.2 Å²	60.2	35%	0.35	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-34.9	174.3	-72.2	177.7	-163.3	0	0	111.7	Q176 L182 E183 R184	Q176-E180 HydrophobicContact CG-CG 4.47Å; Q176-E180 PolarHBondContact NE2-OE1 3.08Å; Q176-E180 WeakPolarHBondContact O-CG 3.41Å; Q176-E180 PolarHBondContact O-N 3.18Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 2.91Å; E180-E183 PolarHBondContact O-N 3.41Å; E180-R184 WeakPolarHBondContact O-CG 3.48Å; E180-R184 PolarHBondContact O-N 2.93Å
181	S	91.3	Very high	89.2	Confident	22 Å²	22	63.8 Å²	63.8	15%	0.154	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-33.1	174.1	-175.9	0	0	0	0	112.7	A177 M178 E179 I185	A177-S181 WeakPolarHBondContact O-CB 2.95Å; A177-S181 PolarHBondContact O-N 2.74Å; M178-S181 WeakPolarHBondContact O-CB 3.43Å; M178-S181 PolarHBondContact O-N 3.49Å; E179-S181 PolarHBondContact O-N 3.39Å; S181-I185 WeakPolarHBondContact O-CD1 3.29Å; S181-I185 VanDerWaalsContact O-CG1 3.23Å; S181-I185 WeakPolarHBondContact O-CG1 3.5Å; S181-I185 PolarHBondContact O-N 2.78Å
182	L	90.7	Very high	89.7	Confident	9 Å²	9	63.7 Å²	63.7	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-72.7	-38	175.3	-71.8	174.7	0	0	0	111.4	M178 E179 E180 I185 T186 A248 V251 I252 L255	M178-L182 PolarHBondContact O-N 2.85Å; E179-L182 WeakPolarHBondContact O-CB 3.4Å; E179-L182 PolarHBondContact O-N 3.19Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 2.91Å; L182-I185 PolarHBondContact O-N 2.78Å; L182-T186 PolarHBondContact O-N 3.28Å; L182-T186 PolarHBondContact O-OG1 3.41Å; L182-A248 HydrophobicContact CD2-CB 4.38Å; L182-V251 HydrophobicContact CD1-CG1 4.28Å; L182-V251 HydrophobicContact CD2-CB 3.87Å; L182-V251 HydrophobicContact CD2-CG1 3.73Å; L182-V251 HydrophobicContact CG-CB 4.37Å; L182-V251 HydrophobicContact CG-CG1 3.66Å; L182-I252 HydrophobicContact CD1-CG1 4.16Å; L182-I252 HydrophobicContact CD2-CG1 4.05Å; L182-L255 HydrophobicContact CD1-CD1 4.1Å
183	E	90.3	Very high	90.2	Very high	122 Å²	122	58.7 Å²	58.7	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-61	-49.2	174.8	-172.7	169	-153.4	0	0	111	E179 E180 I185 T186 E187	E179-E183 PolarHBondContact O-N 2.85Å; E180-E183 PolarHBondContact O-N 3.41Å; E183-I185 VanDerWaalsContact C-N 3.29Å; E183-I185 PolarHBondContact O-N 2.83Å; E183-T186 WeakPolarHBondContact O-CA 3.41Å; E183-T186 VanDerWaalsContact O-CB 3.31Å; E183-T186 WeakPolarHBondContact O-CB 3.31Å; E183-T186 PolarHBondContact O-N 3.18Å; E183-E187 PolarHBondContact O-N 3.18Å
184	R	90.9	Very high	90.7	Very high	156 Å²	156	57.5 Å²	57.5	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-58.4	-37.8	175	-71.7	176.2	-172.4	170.2	8.9	113.3	E180 T186 T188	E180-R184 WeakPolarHBondContact O-CG 3.48Å; E180-R184 PolarHBondContact O-N 2.93Å; R184-T186 VanDerWaalsContact C-N 3.32Å; R184-T188 WeakPolarHBondContact O-CB 3.45Å; R184-T188 PolarHBondContact O-N 2.93Å; R184-T188 PolarHBondContact O-OG1 2.95Å
185	I	90.8	Very high	91.1	Very high	6 Å²	6	58 Å²	58	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-41.5	174.6	-70.9	165	0	0	0	110.1	S181 L182 E183 T188 W189 L244 R247 A248 V251	S181-I185 WeakPolarHBondContact O-CD1 3.29Å; S181-I185 VanDerWaalsContact O-CG1 3.23Å; S181-I185 WeakPolarHBondContact O-CG1 3.5Å; S181-I185 PolarHBondContact O-N 2.78Å; L182-I185 PolarHBondContact O-N 2.78Å; E183-I185 VanDerWaalsContact C-N 3.29Å; E183-I185 PolarHBondContact O-N 2.83Å; I185-T188 PolarHBondContact O-N 2.75Å; I185-W189 WeakPolarHBondContact O-CB 3.47Å; I185-W189 PolarHBondContact O-N 3.21Å; I185-L244 HydrophobicContact CG2-CD2 4.49Å; I185-R247 HydrophobicContact CD1-CG 3.97Å; I185-A248 HydrophobicContact CD1-CB 4.39Å; I185-A248 HydrophobicContact CG2-CB 4.27Å; I185-V251 HydrophobicContact CD1-CG2 4.41Å
186	T	90.4	Very high	91.5	Very high	51 Å²	51	57.9 Å²	57.9	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-43.4	177.9	-54.1	0	0	0	0	112	L182 E183 R184 W189 G190 P271	L182-T186 PolarHBondContact O-N 3.28Å; L182-T186 PolarHBondContact O-OG1 3.41Å; E183-T186 WeakPolarHBondContact O-CA 3.41Å; E183-T186 VanDerWaalsContact O-CB 3.31Å; E183-T186 WeakPolarHBondContact O-CB 3.31Å; E183-T186 PolarHBondContact O-N 3.18Å; R184-T186 VanDerWaalsContact C-N 3.32Å; T186-W189 WeakPolarHBondContact O-CB 3.44Å; T186-W189 PolarHBondContact O-N 3.19Å; T186-G190 PolarHBondContact O-N 2.98Å; T186-P271 HydrophobicContact CG2-CB 4.43Å; T186-P271 HydrophobicContact CG2-CG 4.2Å
187	E	91.3	Very high	91.6	Very high	115 Å²	115	58 Å²	58	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-47.9	174.3	-68.3	177.3	160.5	0	0	111.6	E183 W189 G190 L191	E183-E187 PolarHBondContact O-N 3.18Å; E187-W189 VanDerWaalsContact C-N 3.25Å; E187-W189 PolarHBondContact O-N 2.92Å; E187-G190 PolarHBondContact O-N 3.45Å; E187-G190 VanDerWaalsContact O-N 3.16Å; E187-L191 WeakPolarHBondContact O-CG 3.5Å; E187-L191 PolarHBondContact O-N 2.96Å
188	T	92.1	Very high	91.8	Very high	61 Å²	61	60.7 Å²	60.7	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-38.7	177	-51.2	0	0	0	0	111.2	R184 I185 L191 L192 L244	R184-T188 WeakPolarHBondContact O-CB 3.45Å; R184-T188 PolarHBondContact O-N 2.93Å; R184-T188 PolarHBondContact O-OG1 2.95Å; I185-T188 PolarHBondContact O-N 2.75Å; T188-L191 PolarHBondContact O-N 2.97Å; T188-L192 HydrophobicContact CG2-CD1 4.3Å; T188-L192 WeakPolarHBondContact O-CG 3.46Å; T188-L192 PolarHBondContact O-N 3.37Å; T188-L244 HydrophobicContact CG2-CD1 4.18Å
189	W	91.9	Very high	92	Very high	7 Å²	7	59 Å²	59	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-46.6	176	-162	-61.2	0	0	0	111.7	I185 T186 E187 L192 Y193 M241 L244 P271 E273	I185-W189 WeakPolarHBondContact O-CB 3.47Å; I185-W189 PolarHBondContact O-N 3.21Å; T186-W189 WeakPolarHBondContact O-CB 3.44Å; T186-W189 PolarHBondContact O-N 3.19Å; E187-W189 VanDerWaalsContact C-N 3.25Å; E187-W189 PolarHBondContact O-N 2.92Å; W189-L192 PolarHBondContact O-N 3.34Å; W189-Y193 AromaticContact CD1-CD2 3.79Å; W189-Y193 AromaticContact CD1-CE2 3.35Å; W189-Y193 AromaticContact CD1-CZ 3.71Å; W189-Y193 AromaticContact NE1-CD2 3.99Å; W189-Y193 AromaticContact NE1-CE1 3.92Å; W189-Y193 AromaticContact NE1-CE2 3.1Å; W189-Y193 AromaticContact NE1-CZ 3.06Å; W189-Y193 PolarHBondContact NE1-OH 3.25Å; W189-Y193 PolarHBondContact O-N 3.34Å; W189-M241 HydrophobicContact CD2-SD 3.68Å; W189-M241 HydrophobicContact CE3-SD 4.31Å; W189-M241 HydrophobicContact CG-SD 4.01Å; W189-M241 HydrophobicContact CH2-CB 4.31Å; W189-M241 HydrophobicContact CH2-SD 4.19Å; W189-M241 HydrophobicContact CZ2-CB 4.21Å; W189-M241 HydrophobicContact CZ2-CG 4.29Å; W189-M241 HydrophobicContact CZ2-SD 3.53Å; W189-M241 VanDerWaalsContact CZ2-SD 3.53Å; W189-M241 PolarHBondContact NE1-SD 2.94Å; W189-L244 HydrophobicContact CE3-CB 3.93Å; W189-L244 HydrophobicContact CE3-CD1 4.37Å; W189-L244 HydrophobicContact CZ3-CB 3.91Å; W189-P271 HydrophobicContact CB-CG 4.04Å; W189-P271 HydrophobicContact CD2-CB 4.32Å; W189-P271 HydrophobicContact CD2-CG 3.68Å; W189-P271 HydrophobicContact CE3-CG 3.94Å; W189-P271 HydrophobicContact CG-CB 4.15Å; W189-P271 HydrophobicContact CG-CG 3.72Å; W189-E273 HydrophobicContact CZ2-CB 4.06Å; W189-E273 HydrophobicContact CZ2-CG 4.29Å
190	G	91.2	Very high	92.2	Very high	40 Å²	40	63.6 Å²	63.6	41%	0.412	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-41.1	176.9	0	0	0	0	0	113	T186 E187 Y193 K194	T186-G190 PolarHBondContact O-N 2.98Å; E187-G190 PolarHBondContact O-N 3.45Å; E187-G190 VanDerWaalsContact O-N 3.16Å; G190-Y193 PolarHBondContact O-N 3.33Å; G190-K194 PolarHBondContact O-N 2.67Å
191	L	93	Very high	92.4	Very high	101 Å²	101	63.2 Å²	63.2	53%	0.529	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-45.8	176	-72.1	171	0	0	0	111.7	E187 T188 Y193 K194 E195	E187-L191 WeakPolarHBondContact O-CG 3.5Å; E187-L191 PolarHBondContact O-N 2.96Å; T188-L191 PolarHBondContact O-N 2.97Å; L191-Y193 VanDerWaalsContact C-N 3.35Å; L191-Y193 PolarHBondContact O-N 3.42Å; L191-K194 PolarHBondContact O-N 3.29Å; L191-K194 VanDerWaalsContact O-N 3.14Å; L191-E195 WeakPolarHBondContact O-CB 3.42Å; L191-E195 WeakPolarHBondContact O-CG 3.3Å; L191-E195 PolarHBondContact O-N 3.47Å
192	L	93.4	Very high	92.5	Very high	37 Å²	37	62.6 Å²	62.6	19%	0.194	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-38	179.3	-73.9	170.5	0	0	0	113.1	T188 W189 F196 L237 M241 L244	T188-L192 HydrophobicContact CG2-CD1 4.3Å; T188-L192 WeakPolarHBondContact O-CG 3.46Å; T188-L192 PolarHBondContact O-N 3.37Å; W189-L192 PolarHBondContact O-N 3.34Å; L192-F196 WeakPolarHBondContact O-CB 3.27Å; L192-F196 PolarHBondContact O-N 3.22Å; L192-L237 HydrophobicContact CB-CD1 4.12Å; L192-M241 HydrophobicContact CB-CE 3.51Å; L192-M241 HydrophobicContact CD1-CE 3.27Å; L192-M241 HydrophobicContact CG-CE 4.03Å; L192-L244 HydrophobicContact CD1-CD1 3.52Å
193	Y	93.6	Very high	92.6	Very high	17 Å²	17	67 Å²	67	7%	0.067	33%	0.33	C	S	.	.	H	α-helix	trans	-65.9	-39.9	173.2	-74	-22.5	0	0	0	112.4	W189 G190 L191 F196 E197 L237 M241 R274 W279	W189-Y193 AromaticContact CD1-CD2 3.79Å; W189-Y193 AromaticContact CD1-CE2 3.35Å; W189-Y193 AromaticContact CD1-CZ 3.71Å; W189-Y193 AromaticContact NE1-CD2 3.99Å; W189-Y193 AromaticContact NE1-CE1 3.92Å; W189-Y193 AromaticContact NE1-CE2 3.1Å; W189-Y193 AromaticContact NE1-CZ 3.06Å; W189-Y193 PolarHBondContact NE1-OH 3.25Å; W189-Y193 PolarHBondContact O-N 3.34Å; G190-Y193 PolarHBondContact O-N 3.33Å; L191-Y193 VanDerWaalsContact C-N 3.35Å; L191-Y193 PolarHBondContact O-N 3.42Å; Y193-F196 PolarHBondContact O-N 3.2Å; Y193-E197 PolarHBondContact O-N 2.96Å; Y193-L237 HydrophobicContact CD1-CD1 4.01Å; Y193-L237 HydrophobicContact CD1-CD2 4.06Å; Y193-L237 HydrophobicContact CD1-CG 4.49Å; Y193-L237 HydrophobicContact CE1-CD1 4.39Å; Y193-L237 HydrophobicContact CE1-CD2 4.24Å; Y193-M241 HydrophobicContact CD1-SD 4.35Å; Y193-M241 HydrophobicContact CE1-CG 4.1Å; Y193-M241 HydrophobicContact CE1-SD 3.68Å; Y193-R274 HydrophobicContact CE2-CB 4.36Å; Y193-R274 VanDerWaalsContact CE2-CD 3.5Å; Y193-R274 HydrophobicContact CE2-CG 3.79Å; Y193-R274 PolarHBondContact OH-N 2.96Å; Y193-W279 HydrophobicContact CD1-CH2 4.41Å; Y193-W279 AromaticContact CD1-CZ2 3.74Å; Y193-W279 HydrophobicContact CD1-CZ2 3.74Å; Y193-W279 HydrophobicContact CE1-CZ2 4.12Å; Y193-W279 HydrophobicContact CG-CZ2 4.19Å
194	K	92.8	Very high	92.8	Very high	114 Å²	114	63 Å²	63	50%	0.496	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-43.7	176.3	-174.7	177.4	174.3	-178.1	0	111.6	G190 L191 F196 E197 E198	G190-K194 PolarHBondContact O-N 2.67Å; L191-K194 PolarHBondContact O-N 3.29Å; L191-K194 VanDerWaalsContact O-N 3.14Å; K194-F196 VanDerWaalsContact C-N 3.26Å; K194-F196 PolarHBondContact O-N 3.34Å; K194-E197 PolarHBondContact O-N 3.21Å; K194-E198 VanDerWaalsContact CE-CD 3.49Å; K194-E198 WeakPolarHBondContact CE-OE1 3.46Å; K194-E198 HydrophobicContact CG-CG 4.35Å; K194-E198 IonicContact NZ-OE1 2.65Å; K194-E198 WeakPolarHBondContact O-CB 3.33Å; K194-E198 WeakPolarHBondContact O-CG 3.3Å; K194-E198 PolarHBondContact O-N 3.07Å
195	E	94.4	Very high	92.9	Very high	100 Å²	100	55.9 Å²	55.9	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-29.7	175	-75.3	177.6	-174.3	0	0	113	L191 S199 R233	L191-E195 WeakPolarHBondContact O-CB 3.42Å; L191-E195 WeakPolarHBondContact O-CG 3.3Å; L191-E195 PolarHBondContact O-N 3.47Å; E195-S199 WeakPolarHBondContact O-CB 3.48Å; E195-S199 PolarHBondContact O-N 3.04Å; E195-R233 PolarHBondContact O-NH2 3.04Å
196	F	94.6	Very high	92.9	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-70.5	-47.9	172	176.3	-103.2	0	0	0	111.2	L192 Y193 K194 E198 S199 F202 F230 R233 Y234 L237 W279	L192-F196 WeakPolarHBondContact O-CB 3.27Å; L192-F196 PolarHBondContact O-N 3.22Å; Y193-F196 PolarHBondContact O-N 3.2Å; K194-F196 VanDerWaalsContact C-N 3.26Å; K194-F196 PolarHBondContact O-N 3.34Å; F196-E198 VanDerWaalsContact C-N 3.33Å; F196-E198 PolarHBondContact O-N 3.5Å; F196-S199 WeakPolarHBondContact O-CB 3.18Å; F196-S199 PolarHBondContact O-N 2.88Å; F196-S199 PolarHBondContact O-OG 3.03Å; F196-F202 HydrophobicContact CD1-CD2 4.23Å; F196-F202 AromaticContact CE1-CD2 3.71Å; F196-F202 HydrophobicContact CE1-CD2 3.71Å; F196-F202 HydrophobicContact CE1-CE2 4.08Å; F196-F202 HydrophobicContact CZ-CD2 4.08Å; F196-F202 VanDerWaalsContact O-CB 3.32Å; F196-F202 WeakPolarHBondContact O-CB 3.35Å; F196-F230 HydrophobicContact CE2-CE2 4.09Å; F196-F230 AromaticContact CZ-CE2 3.66Å; F196-F230 HydrophobicContact CZ-CE2 3.66Å; F196-F230 AromaticContact CZ-CZ 3.83Å; F196-F230 HydrophobicContact CZ-CZ 3.83Å; F196-R233 HydrophobicContact CD2-CG 3.96Å; F196-R233 HydrophobicContact CE2-CG 3.99Å; F196-Y234 HydrophobicContact CE1-CD2 4.5Å; F196-Y234 HydrophobicContact CE2-CD2 4.25Å; F196-Y234 AromaticContact CZ-CD2 3.89Å; F196-Y234 HydrophobicContact CZ-CD2 3.89Å; F196-L237 HydrophobicContact CB-CD1 4.33Å; F196-L237 HydrophobicContact CB-CD2 3.97Å; F196-L237 HydrophobicContact CD1-CD2 3.95Å; F196-L237 HydrophobicContact CD2-CB 4.28Å; F196-L237 HydrophobicContact CD2-CD2 4Å; F196-L237 HydrophobicContact CE1-CD2 4.45Å; F196-L237 HydrophobicContact CG-CD2 3.7Å; F196-W279 HydrophobicContact CD1-CD2 4.45Å; F196-W279 HydrophobicContact CD1-CE3 4.15Å; F196-W279 AromaticContact CD1-CH2 3.67Å; F196-W279 HydrophobicContact CD1-CH2 3.67Å; F196-W279 HydrophobicContact CD1-CZ2 4.01Å; F196-W279 AromaticContact CD1-CZ3 3.76Å; F196-W279 HydrophobicContact CD1-CZ3 3.76Å; F196-W279 HydrophobicContact CE1-CD2 4.05Å; F196-W279 AromaticContact CE1-CE3 3.88Å; F196-W279 HydrophobicContact CE1-CE3 3.88Å; F196-W279 HydrophobicContact CE1-CH2 4.22Å; F196-W279 HydrophobicContact CE1-CZ2 4.39Å; F196-W279 AromaticContact CE1-CZ3 3.97Å; F196-W279 HydrophobicContact CE1-CZ3 3.97Å
197	E	91.4	Very high	92.9	Very high	64 Å²	64	61 Å²	61	30%	0.299	32%	0.316	S	S	.	.	H	α-helix	trans	-65.4	-34.8	178.7	-173.3	169.4	-164	0	0	112.7	Y193 K194 S199 F202 H282	Y193-E197 PolarHBondContact O-N 2.96Å; K194-E197 PolarHBondContact O-N 3.21Å; E197-S199 VanDerWaalsContact C-N 3.33Å; E197-F202 HydrophobicContact CG-CE1 4.37Å; E197-F202 WeakPolarHBondContact O-CD1 3.24Å; E197-H282 IonicContact OE1-CD2 3.06Å; E197-H282 IonicContact OE1-CE1 3.94Å; E197-H282 PolarHBondContact OE1-CE1 2.88Å; E197-H282 IonicContact OE1-NE2 3.38Å; E197-H282 PolarHBondContact OE1-NE2 3.17Å
198	E	93.1	Very high	92.9	Very high	102 Å²	102	62.1 Å²	62.1	48%	0.477	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.5	177.8	-70.1	179.4	169.2	0	0	113.8	K194 F196 K203	K194-E198 VanDerWaalsContact CE-CD 3.49Å; K194-E198 WeakPolarHBondContact CE-OE1 3.46Å; K194-E198 HydrophobicContact CG-CG 4.35Å; K194-E198 IonicContact NZ-OE1 2.65Å; K194-E198 WeakPolarHBondContact O-CB 3.33Å; K194-E198 WeakPolarHBondContact O-CG 3.3Å; K194-E198 PolarHBondContact O-N 3.07Å; F196-E198 VanDerWaalsContact C-N 3.33Å; F196-E198 PolarHBondContact O-N 3.5Å; E198-K203 VanDerWaalsContact O-CE 3.32Å; E198-K203 WeakPolarHBondContact O-CE 3.49Å; E198-K203 PolarHBondContact O-NZ 3.42Å
199	S	95.2	Very high	92.9	Very high	11 Å²	11	59.6 Å²	59.6	8%	0.077	30%	0.299	C	S	.	.	S	Bend	trans	-62.5	147.6	-178.6	69.1	0	0	0	0	112.6	E195 F196 E197 E201 F202 K203	E195-S199 WeakPolarHBondContact O-CB 3.48Å; E195-S199 PolarHBondContact O-N 3.04Å; F196-S199 WeakPolarHBondContact O-CB 3.18Å; F196-S199 PolarHBondContact O-N 2.88Å; F196-S199 PolarHBondContact O-OG 3.03Å; E197-S199 VanDerWaalsContact C-N 3.33Å; S199-E201 WeakPolarHBondContact CB-OE2 3.25Å; S199-E201 PolarHBondContact O-N 3.09Å; S199-F202 PolarHBondContact O-N 3.16Å; S199-F202 WeakPolarHBondContact OG-CB 3.17Å; S199-F202 PolarHBondContact OG-N 3.2Å; S199-K203 PolarHBondContact O-N 2.94Å; S199-K203 VanDerWaalsContact O-N 3.1Å
200	D	93.8	Very high	92.7	Very high	125 Å²	125	60.9 Å²	60.9	67%	0.668	31%	0.309	S	S	*	.	H	α-helix	trans	-65.4	-31.9	178.7	-67.8	-29.9	0	0	0	110.9	A204	D200-A204 WeakPolarHBondContact O-CB 3.45Å; D200-A204 PolarHBondContact O-N 2.75Å
201	E	94	Very high	92.4	Very high	67 Å²	67	65.2 Å²	65.2	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-43.9	175.3	-59.9	82.6	176.5	0	0	111.9	S199 A204 F205 R233	S199-E201 WeakPolarHBondContact CB-OE2 3.25Å; S199-E201 PolarHBondContact O-N 3.09Å; E201-A204 PolarHBondContact O-N 3.05Å; E201-F205 WeakPolarHBondContact O-CB 3.16Å; E201-F205 PolarHBondContact O-N 3.45Å; E201-R233 HydrophobicContact CB-CB 4.2Å; E201-R233 HydrophobicContact CB-CG 4.26Å; E201-R233 HydrophobicContact CG-CB 4.32Å
202	F	94	Very high	91.9	Very high	8 Å²	8	63 Å²	63	4%	0.035	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-47.8	176.8	-176.3	-82.5	0	0	0	111.2	F196 E197 S199 A204 F205 Y206 F230 I283 L286	F196-F202 HydrophobicContact CD1-CD2 4.23Å; F196-F202 AromaticContact CE1-CD2 3.71Å; F196-F202 HydrophobicContact CE1-CD2 3.71Å; F196-F202 HydrophobicContact CE1-CE2 4.08Å; F196-F202 HydrophobicContact CZ-CD2 4.08Å; F196-F202 VanDerWaalsContact O-CB 3.32Å; F196-F202 WeakPolarHBondContact O-CB 3.35Å; E197-F202 HydrophobicContact CG-CE1 4.37Å; E197-F202 WeakPolarHBondContact O-CD1 3.24Å; S199-F202 PolarHBondContact O-N 3.16Å; S199-F202 WeakPolarHBondContact OG-CB 3.17Å; S199-F202 PolarHBondContact OG-N 3.2Å; F202-A204 PolarHBondContact O-N 3.42Å; F202-F205 PolarHBondContact O-N 3.42Å; F202-Y206 WeakPolarHBondContact O-CB 3.31Å; F202-Y206 PolarHBondContact O-N 3.42Å; F202-F230 HydrophobicContact CB-CE2 3.94Å; F202-F230 AromaticContact CD2-CE2 3.62Å; F202-F230 HydrophobicContact CD2-CE2 3.62Å; F202-F230 AromaticContact CD2-CZ 3.76Å; F202-F230 HydrophobicContact CD2-CZ 3.76Å; F202-F230 HydrophobicContact CE2-CZ 4.23Å; F202-F230 HydrophobicContact CG-CE2 4.15Å; F202-I283 HydrophobicContact CE2-CD1 4.21Å; F202-I283 HydrophobicContact CE2-CG1 4.01Å; F202-I283 HydrophobicContact CZ-CG1 3.93Å; F202-L286 HydrophobicContact CE1-CD1 3.88Å; F202-L286 HydrophobicContact CZ-CD1 3.81Å
203	K	92.8	Very high	91.6	Very high	102 Å²	102	65.1 Å²	65.1	44%	0.443	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-43	177.5	-69	171.9	-177.6	154	0	111.5	E198 S199 Y206 T207	E198-K203 VanDerWaalsContact O-CE 3.32Å; E198-K203 WeakPolarHBondContact O-CE 3.49Å; E198-K203 PolarHBondContact O-NZ 3.42Å; S199-K203 PolarHBondContact O-N 2.94Å; S199-K203 VanDerWaalsContact O-N 3.1Å; K203-Y206 PolarHBondContact O-N 2.94Å; K203-T207 WeakPolarHBondContact O-CG2 3.36Å; K203-T207 PolarHBondContact O-N 3.22Å; K203-T207 PolarHBondContact O-OG1 2.91Å
204	A	93.3	Very high	91.4	Very high	38 Å²	38	65.4 Å²	65.4	31%	0.314	32%	0.319	S	S	.	.	H	α-helix	trans	-65.2	-40.3	178.2	0	0	0	0	0	112.2	D200 E201 F202 T207 R208	D200-A204 WeakPolarHBondContact O-CB 3.45Å; D200-A204 PolarHBondContact O-N 2.75Å; E201-A204 PolarHBondContact O-N 3.05Å; F202-A204 PolarHBondContact O-N 3.42Å; A204-T207 WeakPolarHBondContact CA-OG1 3.32Å; A204-T207 PolarHBondContact O-OG1 3.48Å; A204-R208 WeakPolarHBondContact O-CB 3.34Å; A204-R208 WeakPolarHBondContact O-CG 3.28Å; A204-R208 PolarHBondContact O-N 3.23Å; A204-R208 PolarHBondContact O-NE 3.31Å; A204-R208 VanDerWaalsContact O-NE 3.16Å
205	F	94.2	Very high	91.3	Very high	6 Å²	6	60 Å²	60	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-51.7	172.1	176.9	-105.3	0	0	0	110.5	E201 F202 T207 R208 L209 L223 W224 D227 F230 I283	E201-F205 WeakPolarHBondContact O-CB 3.16Å; E201-F205 PolarHBondContact O-N 3.45Å; F202-F205 PolarHBondContact O-N 3.42Å; F205-T207 VanDerWaalsContact C-N 3.34Å; F205-T207 PolarHBondContact O-N 3.31Å; F205-R208 PolarHBondContact O-N 2.93Å; F205-L209 HydrophobicContact CD1-CD1 4.42Å; F205-L209 HydrophobicContact CE1-CD1 3.98Å; F205-L209 HydrophobicContact CE1-CD2 4.1Å; F205-L209 HydrophobicContact CE1-CG 4.27Å; F205-L209 HydrophobicContact CE2-CD2 4.2Å; F205-L209 HydrophobicContact CZ-CD1 4.48Å; F205-L209 HydrophobicContact CZ-CD2 3.76Å; F205-L209 HydrophobicContact CZ-CG 4.4Å; F205-L209 PolarHBondContact O-N 3.43Å; F205-L223 HydrophobicContact CE2-CB 4.4Å; F205-L223 HydrophobicContact CZ-CB 4.48Å; F205-W224 HydrophobicContact CE2-CB 4.29Å; F205-W224 HydrophobicContact CZ-CB 3.93Å; F205-D227 HydrophobicContact CD2-CB 4.13Å; F205-D227 WeakPolarHBondContact CD2-OD2 3.28Å; F205-D227 HydrophobicContact CE2-CB 4.41Å; F205-F230 HydrophobicContact CB-CB 4.22Å; F205-F230 HydrophobicContact CB-CD1 4.09Å; F205-F230 HydrophobicContact CB-CD2 4.04Å; F205-F230 HydrophobicContact CB-CE1 4.45Å; F205-F230 HydrophobicContact CB-CE2 4.46Å; F205-F230 HydrophobicContact CB-CG 3.86Å; F205-F230 AromaticContact CD1-CD1 3.81Å; F205-F230 HydrophobicContact CD1-CD1 3.81Å; F205-F230 AromaticContact CD1-CE1 3.56Å; F205-F230 HydrophobicContact CD1-CE1 3.56Å; F205-F230 HydrophobicContact CD1-CG 4.42Å; F205-F230 HydrophobicContact CD1-CZ 4.04Å; F205-F230 HydrophobicContact CD2-CB 4.42Å; F205-F230 AromaticContact CD2-CD1 3.87Å; F205-F230 HydrophobicContact CD2-CD1 3.87Å; F205-F230 HydrophobicContact CD2-CE1 4.44Å; F205-F230 HydrophobicContact CD2-CG 4.27Å; F205-F230 HydrophobicContact CE1-CD1 4.2Å; F205-F230 AromaticContact CE1-CE1 3.85Å; F205-F230 HydrophobicContact CE1-CE1 3.85Å; F205-F230 HydrophobicContact CE2-CD1 4.25Å; F205-F230 HydrophobicContact CG-CB 4.43Å; F205-F230 AromaticContact CG-CD1 3.63Å; F205-F230 HydrophobicContact CG-CD1 3.63Å; F205-F230 HydrophobicContact CG-CD2 4.44Å; F205-F230 AromaticContact CG-CE1 3.89Å; F205-F230 HydrophobicContact CG-CE1 3.89Å; F205-F230 AromaticContact CG-CG 3.93Å; F205-F230 HydrophobicContact CG-CG 3.93Å; F205-F230 HydrophobicContact CG-CZ 4.45Å; F205-F230 HydrophobicContact CZ-CD1 4.4Å; F205-F230 HydrophobicContact CZ-CE1 4.4Å; F205-I283 HydrophobicContact CD1-CD1 4.29Å; F205-I283 HydrophobicContact CE1-CD1 3.94Å; F205-I283 HydrophobicContact CE1-CG2 4.47Å
206	Y	91.4	Very high	91.1	Very high	60 Å²	60	58.1 Å²	58.1	24%	0.235	29%	0.289	C	S	.	.	H	α-helix	trans	-55.8	-45	178.8	178.5	-105.8	0	0	0	112.7	F202 K203 R208 L209 L286 L287	F202-Y206 WeakPolarHBondContact O-CB 3.31Å; F202-Y206 PolarHBondContact O-N 3.42Å; K203-Y206 PolarHBondContact O-N 2.94Å; Y206-R208 VanDerWaalsContact C-N 3.28Å; Y206-R208 PolarHBondContact O-N 2.95Å; Y206-L209 WeakPolarHBondContact O-CB 3.19Å; Y206-L209 PolarHBondContact O-N 2.92Å; Y206-L286 HydrophobicContact CD2-CB 4.36Å; Y206-L286 HydrophobicContact CE2-CB 3.7Å; Y206-L286 PolarHBondContact OH-O 2.89Å; Y206-L287 HydrophobicContact CD2-CD2 4.24Å; Y206-L287 HydrophobicContact CE2-CD2 3.56Å; Y206-L287 HydrophobicContact CE2-CG 3.96Å
207	T	90.4	Very high	91	Very high	104 Å²	104	59.9 Å²	59.9	64%	0.638	30%	0.299	S	S	*	.	H	α-helix	trans	-68.8	-22.8	178.2	56	0	0	0	0	114.5	K203 A204 F205	K203-T207 WeakPolarHBondContact O-CG2 3.36Å; K203-T207 PolarHBondContact O-N 3.22Å; K203-T207 PolarHBondContact O-OG1 2.91Å; A204-T207 WeakPolarHBondContact CA-OG1 3.32Å; A204-T207 PolarHBondContact O-OG1 3.48Å; F205-T207 VanDerWaalsContact C-N 3.34Å; F205-T207 PolarHBondContact O-N 3.31Å
208	R	91.1	Very high	91	Very high	140 Å²	140	60.2 Å²	60.2	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-84	-14	177.7	-80.7	-177	-73.7	164.5	-4.8	112.9	A204 F205 Y206 D227	A204-R208 WeakPolarHBondContact O-CB 3.34Å; A204-R208 WeakPolarHBondContact O-CG 3.28Å; A204-R208 PolarHBondContact O-N 3.23Å; A204-R208 PolarHBondContact O-NE 3.31Å; A204-R208 VanDerWaalsContact O-NE 3.16Å; F205-R208 PolarHBondContact O-N 2.93Å; Y206-R208 VanDerWaalsContact C-N 3.28Å; Y206-R208 PolarHBondContact O-N 2.95Å; R208-D227 IonicContact CZ-OD1 3.81Å; R208-D227 IonicContact CZ-OD2 2.75Å; R208-D227 IonicContact NH1-OD1 2.76Å; R208-D227 PolarHBondContact NH1-OD1 3.47Å; R208-D227 IonicContact NH1-OD2 3.71Å; R208-D227 PolarHBondContact NH1-OD2 3.01Å; R208-D227 VanDerWaalsContact NH2-CG 3.35Å; R208-D227 IonicContact NH2-OD1 2.79Å; R208-D227 PolarHBondContact NH2-OD1 2.94Å; R208-D227 IonicContact NH2-OD2 3.56Å; R208-D227 PolarHBondContact NH2-OD2 3.31Å
209	L	91.2	Very high	90.9	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	30%	0.301	C	S	.	.	S	Bend	trans	-65.6	131.3	178.3	-68.6	174.4	0	0	0	110.1	F205 Y206 Q211 L215 L223 I283 L287	F205-L209 HydrophobicContact CD1-CD1 4.42Å; F205-L209 HydrophobicContact CE1-CD1 3.98Å; F205-L209 HydrophobicContact CE1-CD2 4.1Å; F205-L209 HydrophobicContact CE1-CG 4.27Å; F205-L209 HydrophobicContact CE2-CD2 4.2Å; F205-L209 HydrophobicContact CZ-CD1 4.48Å; F205-L209 HydrophobicContact CZ-CD2 3.76Å; F205-L209 HydrophobicContact CZ-CG 4.4Å; F205-L209 PolarHBondContact O-N 3.43Å; Y206-L209 WeakPolarHBondContact O-CB 3.19Å; Y206-L209 PolarHBondContact O-N 2.92Å; L209-Q211 PolarHBondContact O-N 3.29Å; L209-L215 HydrophobicContact CB-CD1 4.14Å; L209-L215 HydrophobicContact CD2-CD1 4.28Å; L209-L223 HydrophobicContact CD2-CB 4.2Å; L209-L223 HydrophobicContact CD2-CD1 3.7Å; L209-I283 HydrophobicContact CD1-CG2 3.62Å; L209-L287 HydrophobicContact CB-CD2 4.49Å; L209-L287 HydrophobicContact CD1-CD1 4.13Å; L209-L287 HydrophobicContact CD1-CD2 4.42Å
210	P	88.6	Confident	90.7	Very high	34 Å²	34	57 Å²	57	22%	0.221	30%	0.297	C	S	.	.			trans	-67.7	130.5	-179.6	25.5	-32	0	0	0	110.9	Y213 L215 L223	P210-Y213 HydrophobicContact CB-CD1 4.33Å; P210-Y213 HydrophobicContact CB-CE1 3.66Å; P210-Y213 HydrophobicContact CG-CE1 3.79Å; P210-Y213 HydrophobicContact CG-CE2 4.3Å; P210-Y213 WeakPolarHBondContact CG-OH 3.31Å; P210-L215 HydrophobicContact CG-CD1 4.03Å; P210-L215 HydrophobicContact CG-CD2 4.04Å; P210-L215 HydrophobicContact CG-CG 4.45Å; P210-L223 HydrophobicContact CG-CD1 4.37Å
211	Q	83.9	Confident	90.7	Very high	131 Å²	131	55.7 Å²	55.7	61%	0.612	29%	0.287	S	S	*	.			trans	-101.2	-2.5	177.5	-62.2	-178.3	-1.8	0	0	112.8	L209 Y213	L209-Q211 PolarHBondContact O-N 3.29Å; Q211-Y213 VanDerWaalsContact C-N 3.33Å
212	S	83.2	Confident	90.7	Very high	54 Å²	54	57.8 Å²	57.8	38%	0.378	30%	0.297	S	S	.	.	S	Bend	trans	-77.2	-18.5	-177.7	50.1	0	0	0	0	113.7	C331	S212-C331 WeakPolarHBondContact O-CB 3.39Å; S212-C331 PolarHBondContact O-SG 2.71Å
213	Y	87.1	Confident	90.6	Very high	82 Å²	82	59.6 Å²	59.6	32%	0.322	31%	0.307	S	S	.	.	S	Bend	trans	-145.9	163.6	178.5	61.6	-89.3	0	0	0	111	P210 Q211 L215 P319 V322	P210-Y213 HydrophobicContact CB-CD1 4.33Å; P210-Y213 HydrophobicContact CB-CE1 3.66Å; P210-Y213 HydrophobicContact CG-CE1 3.79Å; P210-Y213 HydrophobicContact CG-CE2 4.3Å; P210-Y213 WeakPolarHBondContact CG-OH 3.31Å; Q211-Y213 VanDerWaalsContact C-N 3.33Å; Y213-L215 HydrophobicContact CD2-CD2 4.02Å; Y213-L215 HydrophobicContact CE2-CD2 3.41Å; Y213-L215 VanDerWaalsContact CE2-CD2 3.41Å; Y213-L215 HydrophobicContact CE2-CG 4.49Å; Y213-P319 VanDerWaalsContact C-CG 3.41Å; Y213-P319 WeakPolarHBondContact O-CG 3.3Å; Y213-V322 HydrophobicContact CG-CG2 4.34Å
214	F	89.7	Confident	90.7	Very high	24 Å²	24	55.1 Å²	55.1	11%	0.105	29%	0.287	C	S	.	.			trans	-73	136.4	-178.2	178.6	-101.5	0	0	0	112.2	N216 Y288 F298 H303 P318 P319 C320	F214-N216 HydrophobicContact CE1-CB 4.17Å; F214-Y288 HydrophobicContact CD2-CE1 4.34Å; F214-Y288 AromaticContact CD2-CE2 3.81Å; F214-Y288 HydrophobicContact CD2-CE2 3.81Å; F214-Y288 AromaticContact CD2-CZ 3.67Å; F214-Y288 HydrophobicContact CE2-CD2 4.08Å; F214-Y288 AromaticContact CE2-CE2 3.5Å; F214-Y288 HydrophobicContact CE2-CE2 3.5Å; F214-Y288 AromaticContact CE2-CZ 3.89Å; F214-Y288 HydrophobicContact CZ-CE2 4.44Å; F214-F298 AromaticContact CE2-CE1 3.94Å; F214-F298 HydrophobicContact CE2-CE1 3.94Å; F214-F298 AromaticContact CE2-CZ 3.73Å; F214-F298 HydrophobicContact CE2-CZ 3.73Å; F214-F298 AromaticContact CZ-CE1 3.97Å; F214-F298 HydrophobicContact CZ-CE1 3.97Å; F214-F298 HydrophobicContact CZ-CZ 4.12Å; F214-H303 AromaticContact CE1-CE1 3.77Å; F214-H303 AromaticContact CZ-CE1 3.76Å; F214-P318 HydrophobicContact CD2-CB 4.14Å; F214-P319 HydrophobicContact CB-CG 4.39Å; F214-P319 WeakPolarHBondContact CB-O 3.01Å; F214-C320 PolarHBondContact N-O 3.46Å
215	L	90.4	Very high	90.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.			trans	-112.2	114	178.4	-63.5	177.3	0	0	0	109.9	L209 P210 Y213 I220 L223 Q284 L287 Y288	L209-L215 HydrophobicContact CB-CD1 4.14Å; L209-L215 HydrophobicContact CD2-CD1 4.28Å; P210-L215 HydrophobicContact CG-CD1 4.03Å; P210-L215 HydrophobicContact CG-CD2 4.04Å; P210-L215 HydrophobicContact CG-CG 4.45Å; Y213-L215 HydrophobicContact CD2-CD2 4.02Å; Y213-L215 HydrophobicContact CE2-CD2 3.41Å; Y213-L215 VanDerWaalsContact CE2-CD2 3.41Å; Y213-L215 HydrophobicContact CE2-CG 4.49Å; L215-I220 HydrophobicContact CB-CD1 4.31Å; L215-I220 HydrophobicContact CB-CG1 3.9Å; L215-L223 HydrophobicContact CD1-CD1 4.39Å; L215-L223 HydrophobicContact CD2-CD1 4.31Å; L215-Q284 PolarHBondContact O-NE2 2.92Å; L215-Q284 VanDerWaalsContact O-NE2 3.07Å; L215-L287 HydrophobicContact CD1-CD1 4.26Å; L215-Y288 PolarHBondContact N-OH 3.46Å
216	N	90.3	Very high	90.6	Very high	61 Å²	61	61.9 Å²	61.9	33%	0.326	32%	0.323	S	S	.	.			trans	-77.2	163.3	167.4	65.6	12	0	0	0	111.1	F214 S218 S219 I220 E300	F214-N216 HydrophobicContact CE1-CB 4.17Å; N216-S218 PolarHBondContact ND2-OG 3.43Å; N216-S218 VanDerWaalsContact ND2-OG 3.14Å; N216-S218 PolarHBondContact O-N 3.34Å; N216-S218 PolarHBondContact OD1-OG 2.9Å; N216-S219 WeakPolarHBondContact O-CB 3.32Å; N216-S219 PolarHBondContact O-N 3.45Å; N216-S219 WeakPolarHBondContact OD1-CA 3.31Å; N216-S219 WeakPolarHBondContact OD1-CB 3.22Å; N216-S219 PolarHBondContact OD1-N 3.31Å; N216-S219 PolarHBondContact OD1-OG 3.46Å; N216-I220 WeakPolarHBondContact O-CG1 3.48Å; N216-I220 PolarHBondContact O-N 2.93Å; N216-E300 VanDerWaalsContact CA-OE1 3.31Å; N216-E300 WeakPolarHBondContact CA-OE1 3.3Å
217	V	91.2	Very high	90.7	Very high	38 Å²	38	59.5 Å²	59.5	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-53.7	-38.7	179.7	164.9	0	0	0	0	111.6	I220 Q221 L280 E300	V217-I220 PolarHBondContact O-N 3.02Å; V217-Q221 WeakPolarHBondContact O-CB 3.15Å; V217-Q221 PolarHBondContact O-N 3.31Å; V217-L280 HydrophobicContact CG1-CB 4.05Å; V217-L280 HydrophobicContact CG1-CD1 3.79Å; V217-E300 HydrophobicContact CG2-CG 4.39Å; V217-E300 VanDerWaalsContact CG2-OE1 3.25Å; V217-E300 WeakPolarHBondContact CG2-OE1 3.25Å; V217-E300 PolarHBondContact N-OE1 3.43Å
218	S	91.5	Very high	90.7	Very high	71 Å²	71	58.7 Å²	58.7	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-37.9	176.7	50.3	0	0	0	0	113.4	N216 Q221 H222	N216-S218 PolarHBondContact ND2-OG 3.43Å; N216-S218 VanDerWaalsContact ND2-OG 3.14Å; N216-S218 PolarHBondContact O-N 3.34Å; N216-S218 PolarHBondContact OD1-OG 2.9Å; S218-Q221 PolarHBondContact O-N 2.9Å; S218-H222 WeakPolarHBondContact O-CB 3.5Å; S218-H222 PolarHBondContact O-N 3.5Å
219	S	90.8	Very high	90.8	Very high	44 Å²	44	57.3 Å²	57.3	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-70.1	-41.2	177.3	-61.9	0	0	0	0	110.6	N216 Q221 H222 L223	N216-S219 WeakPolarHBondContact O-CB 3.32Å; N216-S219 PolarHBondContact O-N 3.45Å; N216-S219 WeakPolarHBondContact OD1-CA 3.31Å; N216-S219 WeakPolarHBondContact OD1-CB 3.22Å; N216-S219 PolarHBondContact OD1-N 3.31Å; N216-S219 PolarHBondContact OD1-OG 3.46Å; S219-Q221 VanDerWaalsContact C-N 3.33Å; S219-Q221 PolarHBondContact O-N 2.94Å; S219-H222 PolarHBondContact O-N 3.47Å; S219-L223 WeakPolarHBondContact O-CG 3.11Å; S219-L223 PolarHBondContact O-N 3.42Å
220	I	92.6	Very high	90.9	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-44.3	174.3	-61.8	172.4	0	0	0	109.9	L215 N216 V217 H222 L223 W224 L280 I283 Q284 L287	L215-I220 HydrophobicContact CB-CD1 4.31Å; L215-I220 HydrophobicContact CB-CG1 3.9Å; N216-I220 WeakPolarHBondContact O-CG1 3.48Å; N216-I220 PolarHBondContact O-N 2.93Å; V217-I220 PolarHBondContact O-N 3.02Å; I220-H222 VanDerWaalsContact C-N 3.35Å; I220-H222 PolarHBondContact O-N 3.22Å; I220-L223 PolarHBondContact O-N 3.06Å; I220-W224 WeakPolarHBondContact O-CB 3.42Å; I220-W224 PolarHBondContact O-N 3.13Å; I220-L280 HydrophobicContact CB-CD2 4.45Å; I220-L280 HydrophobicContact CG2-CD2 3.88Å; I220-I283 HydrophobicContact CG2-CG2 4.05Å; I220-Q284 HydrophobicContact CD1-CB 3.9Å; I220-Q284 HydrophobicContact CD1-CG 4.2Å; I220-L287 HydrophobicContact CD1-CD1 4.25Å
221	Q	93.3	Very high	91.2	Very high	99 Å²	99	59 Å²	59	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-61.5	-41.5	176.1	177.6	175.3	-4.4	0	0	112.3	V217 S218 S219 W224 S225 L280	V217-Q221 WeakPolarHBondContact O-CB 3.15Å; V217-Q221 PolarHBondContact O-N 3.31Å; S218-Q221 PolarHBondContact O-N 2.9Å; S219-Q221 VanDerWaalsContact C-N 3.33Å; S219-Q221 PolarHBondContact O-N 2.94Å; Q221-W224 WeakPolarHBondContact O-CB 3.32Å; Q221-W224 PolarHBondContact O-N 3.46Å; Q221-S225 PolarHBondContact O-N 3.48Å; Q221-L280 HydrophobicContact CB-CD1 4.08Å; Q221-L280 HydrophobicContact CB-CD2 4.11Å
222	H	92.8	Very high	91.6	Very high	110 Å²	110	60.1 Å²	60.1	51%	0.509	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-48	175.8	178.2	-95.2	0	0	0	111.2	S218 S219 I220 W224 S225 L226	S218-H222 WeakPolarHBondContact O-CB 3.5Å; S218-H222 PolarHBondContact O-N 3.5Å; S219-H222 PolarHBondContact O-N 3.47Å; I220-H222 VanDerWaalsContact C-N 3.35Å; I220-H222 PolarHBondContact O-N 3.22Å; H222-W224 VanDerWaalsContact C-N 3.31Å; H222-W224 PolarHBondContact O-N 2.97Å; H222-S225 PolarHBondContact O-N 3.3Å; H222-S225 VanDerWaalsContact O-N 3.13Å; H222-S225 PolarHBondContact O-OG 3.06Å; H222-L226 WeakPolarHBondContact O-CG 3.48Å; H222-L226 PolarHBondContact O-N 3.09Å
223	L	92.8	Very high	92.2	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.246	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-37.8	176.6	-69	172.9	0	0	0	112.3	F205 L209 P210 L215 S219 I220 L226 D227	F205-L223 HydrophobicContact CE2-CB 4.4Å; F205-L223 HydrophobicContact CZ-CB 4.48Å; L209-L223 HydrophobicContact CD2-CB 4.2Å; L209-L223 HydrophobicContact CD2-CD1 3.7Å; P210-L223 HydrophobicContact CG-CD1 4.37Å; L215-L223 HydrophobicContact CD1-CD1 4.39Å; L215-L223 HydrophobicContact CD2-CD1 4.31Å; S219-L223 WeakPolarHBondContact O-CG 3.11Å; S219-L223 PolarHBondContact O-N 3.42Å; I220-L223 PolarHBondContact O-N 3.06Å; L223-L226 PolarHBondContact O-N 2.72Å; L223-D227 PolarHBondContact O-N 2.77Å
224	W	94.4	Very high	92.5	Very high	8 Å²	8	57.4 Å²	57.4	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-57.7	-49.7	171.7	-174	-38.9	0	0	0	110.3	F205 I220 Q221 H222 L226 D227 F230 Y234 H276 W279 L280 I283	F205-W224 HydrophobicContact CE2-CB 4.29Å; F205-W224 HydrophobicContact CZ-CB 3.93Å; I220-W224 WeakPolarHBondContact O-CB 3.42Å; I220-W224 PolarHBondContact O-N 3.13Å; Q221-W224 WeakPolarHBondContact O-CB 3.32Å; Q221-W224 PolarHBondContact O-N 3.46Å; H222-W224 VanDerWaalsContact C-N 3.31Å; H222-W224 PolarHBondContact O-N 2.97Å; W224-L226 PolarHBondContact O-N 3.4Å; W224-D227 PolarHBondContact O-N 2.61Å; W224-F230 AromaticContact CD1-CD1 3.77Å; W224-F230 AromaticContact CD2-CD1 3.72Å; W224-F230 HydrophobicContact CD2-CD1 3.72Å; W224-F230 AromaticContact CD2-CE1 3.31Å; W224-F230 HydrophobicContact CD2-CE1 3.31Å; W224-F230 HydrophobicContact CD2-CZ 4.38Å; W224-F230 AromaticContact CE2-CD1 3.58Å; W224-F230 AromaticContact CE2-CE1 3.24Å; W224-F230 HydrophobicContact CE3-CD1 4.37Å; W224-F230 AromaticContact CE3-CE1 3.54Å; W224-F230 HydrophobicContact CE3-CE1 3.54Å; W224-F230 HydrophobicContact CE3-CZ 4.37Å; W224-F230 AromaticContact CG-CD1 3.82Å; W224-F230 HydrophobicContact CG-CD1 3.82Å; W224-F230 AromaticContact CG-CE1 3.9Å; W224-F230 HydrophobicContact CG-CE1 3.9Å; W224-F230 AromaticContact CH2-CE1 3.66Å; W224-F230 HydrophobicContact CH2-CE1 3.66Å; W224-F230 AromaticContact CH2-CZ 3.81Å; W224-F230 HydrophobicContact CH2-CZ 3.81Å; W224-F230 HydrophobicContact CZ2-CD1 4.11Å; W224-F230 AromaticContact CZ2-CE1 3.43Å; W224-F230 HydrophobicContact CZ2-CE1 3.43Å; W224-F230 VanDerWaalsContact CZ2-CE1 3.43Å; W224-F230 AromaticContact CZ2-CZ 3.8Å; W224-F230 HydrophobicContact CZ2-CZ 3.8Å; W224-F230 AromaticContact CZ3-CE1 3.72Å; W224-F230 HydrophobicContact CZ3-CE1 3.72Å; W224-F230 HydrophobicContact CZ3-CZ 4.11Å; W224-F230 AromaticContact NE1-CD1 3.6Å; W224-F230 AromaticContact NE1-CE1 3.79Å; W224-Y234 HydrophobicContact CH2-CD2 4.11Å; W224-Y234 HydrophobicContact CH2-CE2 4.41Å; W224-Y234 HydrophobicContact CH2-CG 4.38Å; W224-Y234 HydrophobicContact CZ2-CD1 4.01Å; W224-Y234 AromaticContact CZ2-CD2 3.73Å; W224-Y234 HydrophobicContact CZ2-CD2 3.73Å; W224-Y234 HydrophobicContact CZ2-CE2 4.33Å; W224-Y234 AromaticContact CZ2-CG 3.56Å; W224-Y234 HydrophobicContact CZ2-CG 3.56Å; W224-H276 AromaticContact CD2-NE2 3.85Å; W224-H276 AromaticContact CE2-NE2 3.92Å; W224-H276 AromaticContact CE3-NE2 3.93Å; W224-W279 HydrophobicContact CH2-CB 3.84Å; W224-W279 HydrophobicContact CZ3-CB 3.97Å; W224-L280 HydrophobicContact CE3-CD2 3.63Å; W224-L280 HydrophobicContact CZ3-CD2 4.04Å; W224-I283 HydrophobicContact CE3-CD1 3.94Å; W224-I283 HydrophobicContact CH2-CD1 4.45Å; W224-I283 HydrophobicContact CZ3-CD1 3.55Å
225	S	92.4	Very high	92.7	Very high	68 Å²	68	60 Å²	60	48%	0.476	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-22.5	-177.9	72.2	0	0	0	0	114.3	Q221 H222 D227	Q221-S225 PolarHBondContact O-N 3.48Å; H222-S225 PolarHBondContact O-N 3.3Å; H222-S225 VanDerWaalsContact O-N 3.13Å; H222-S225 PolarHBondContact O-OG 3.06Å; S225-D227 VanDerWaalsContact C-N 3.35Å
226	L	93.5	Very high	92.9	Very high	117 Å²	117	63.7 Å²	63.7	61%	0.613	33%	0.329	S	S	*	.	H	α-helix	trans	-79.5	-19.4	174.6	-67.7	174.9	0	0	0	112.6	H222 L223 W224 S228	H222-L226 WeakPolarHBondContact O-CG 3.48Å; H222-L226 PolarHBondContact O-N 3.09Å; L223-L226 PolarHBondContact O-N 2.72Å; W224-L226 PolarHBondContact O-N 3.4Å; L226-S228 PolarHBondContact O-N 3.17Å
227	D	92.8	Very high	93	Very high	11 Å²	11	61.3 Å²	61.3	6%	0.059	32%	0.317	C	S	.	.			trans	-97.2	88.9	-175.9	-170	8	0	0	0	112.4	F205 R208 L223 W224 S225 L229 F230 Q231	F205-D227 HydrophobicContact CD2-CB 4.13Å; F205-D227 WeakPolarHBondContact CD2-OD2 3.28Å; F205-D227 HydrophobicContact CE2-CB 4.41Å; R208-D227 IonicContact CZ-OD1 3.81Å; R208-D227 IonicContact CZ-OD2 2.75Å; R208-D227 IonicContact NH1-OD1 2.76Å; R208-D227 PolarHBondContact NH1-OD1 3.47Å; R208-D227 IonicContact NH1-OD2 3.71Å; R208-D227 PolarHBondContact NH1-OD2 3.01Å; R208-D227 VanDerWaalsContact NH2-CG 3.35Å; R208-D227 IonicContact NH2-OD1 2.79Å; R208-D227 PolarHBondContact NH2-OD1 2.94Å; R208-D227 IonicContact NH2-OD2 3.56Å; R208-D227 PolarHBondContact NH2-OD2 3.31Å; L223-D227 PolarHBondContact O-N 2.77Å; W224-D227 PolarHBondContact O-N 2.61Å; S225-D227 VanDerWaalsContact C-N 3.35Å; D227-L229 VanDerWaalsContact C-N 3.27Å; D227-L229 PolarHBondContact O-N 3.19Å; D227-F230 HydrophobicContact CB-CB 4.12Å; D227-F230 PolarHBondContact O-N 3.43Å; D227-F230 WeakPolarHBondContact OD2-CB 3.41Å; D227-Q231 WeakPolarHBondContact O-CB 3.31Å; D227-Q231 PolarHBondContact O-N 3.37Å
228	S	92	Very high	93.1	Very high	86 Å²	86	62.2 Å²	62.2	60%	0.601	32%	0.318	S	S	*	.	H	α-helix	trans	-55.6	-35.7	-178.5	59.4	0	0	0	0	114.7	L226 W232	L226-S228 PolarHBondContact O-N 3.17Å; S228-W232 WeakPolarHBondContact O-CB 3.44Å; S228-W232 PolarHBondContact O-N 2.76Å
229	L	92.8	Very high	93.2	Very high	112 Å²	112	62.9 Å²	62.9	59%	0.586	32%	0.316	S	S	*	.	H	α-helix	trans	-69	-45.3	-179.5	-68.8	174.5	0	0	0	111	D227 W232 R233	D227-L229 VanDerWaalsContact C-N 3.27Å; D227-L229 PolarHBondContact O-N 3.19Å; L229-W232 PolarHBondContact O-N 2.95Å; L229-R233 PolarHBondContact O-N 2.67Å
230	F	93.7	Very high	93.3	Very high	1 Å²	1	62.8 Å²	62.8	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-68.3	-40.2	178.2	-174.2	-124.4	0	0	0	111.9	F196 F202 F205 W224 D227 W232 R233 Y234 I283	F196-F230 HydrophobicContact CE2-CE2 4.09Å; F196-F230 AromaticContact CZ-CE2 3.66Å; F196-F230 HydrophobicContact CZ-CE2 3.66Å; F196-F230 AromaticContact CZ-CZ 3.83Å; F196-F230 HydrophobicContact CZ-CZ 3.83Å; F202-F230 HydrophobicContact CB-CE2 3.94Å; F202-F230 AromaticContact CD2-CE2 3.62Å; F202-F230 HydrophobicContact CD2-CE2 3.62Å; F202-F230 AromaticContact CD2-CZ 3.76Å; F202-F230 HydrophobicContact CD2-CZ 3.76Å; F202-F230 HydrophobicContact CE2-CZ 4.23Å; F202-F230 HydrophobicContact CG-CE2 4.15Å; F205-F230 HydrophobicContact CB-CB 4.22Å; F205-F230 HydrophobicContact CB-CD1 4.09Å; F205-F230 HydrophobicContact CB-CD2 4.04Å; F205-F230 HydrophobicContact CB-CE1 4.45Å; F205-F230 HydrophobicContact CB-CE2 4.46Å; F205-F230 HydrophobicContact CB-CG 3.86Å; F205-F230 AromaticContact CD1-CD1 3.81Å; F205-F230 HydrophobicContact CD1-CD1 3.81Å; F205-F230 AromaticContact CD1-CE1 3.56Å; F205-F230 HydrophobicContact CD1-CE1 3.56Å; F205-F230 HydrophobicContact CD1-CG 4.42Å; F205-F230 HydrophobicContact CD1-CZ 4.04Å; F205-F230 HydrophobicContact CD2-CB 4.42Å; F205-F230 AromaticContact CD2-CD1 3.87Å; F205-F230 HydrophobicContact CD2-CD1 3.87Å; F205-F230 HydrophobicContact CD2-CE1 4.44Å; F205-F230 HydrophobicContact CD2-CG 4.27Å; F205-F230 HydrophobicContact CE1-CD1 4.2Å; F205-F230 AromaticContact CE1-CE1 3.85Å; F205-F230 HydrophobicContact CE1-CE1 3.85Å; F205-F230 HydrophobicContact CE2-CD1 4.25Å; F205-F230 HydrophobicContact CG-CB 4.43Å; F205-F230 AromaticContact CG-CD1 3.63Å; F205-F230 HydrophobicContact CG-CD1 3.63Å; F205-F230 HydrophobicContact CG-CD2 4.44Å; F205-F230 AromaticContact CG-CE1 3.89Å; F205-F230 HydrophobicContact CG-CE1 3.89Å; F205-F230 AromaticContact CG-CG 3.93Å; F205-F230 HydrophobicContact CG-CG 3.93Å; F205-F230 HydrophobicContact CG-CZ 4.45Å; F205-F230 HydrophobicContact CZ-CD1 4.4Å; F205-F230 HydrophobicContact CZ-CE1 4.4Å; W224-F230 AromaticContact CD1-CD1 3.77Å; W224-F230 AromaticContact CD2-CD1 3.72Å; W224-F230 HydrophobicContact CD2-CD1 3.72Å; W224-F230 AromaticContact CD2-CE1 3.31Å; W224-F230 HydrophobicContact CD2-CE1 3.31Å; W224-F230 HydrophobicContact CD2-CZ 4.38Å; W224-F230 AromaticContact CE2-CD1 3.58Å; W224-F230 AromaticContact CE2-CE1 3.24Å; W224-F230 HydrophobicContact CE3-CD1 4.37Å; W224-F230 AromaticContact CE3-CE1 3.54Å; W224-F230 HydrophobicContact CE3-CE1 3.54Å; W224-F230 HydrophobicContact CE3-CZ 4.37Å; W224-F230 AromaticContact CG-CD1 3.82Å; W224-F230 HydrophobicContact CG-CD1 3.82Å; W224-F230 AromaticContact CG-CE1 3.9Å; W224-F230 HydrophobicContact CG-CE1 3.9Å; W224-F230 AromaticContact CH2-CE1 3.66Å; W224-F230 HydrophobicContact CH2-CE1 3.66Å; W224-F230 AromaticContact CH2-CZ 3.81Å; W224-F230 HydrophobicContact CH2-CZ 3.81Å; W224-F230 HydrophobicContact CZ2-CD1 4.11Å; W224-F230 AromaticContact CZ2-CE1 3.43Å; W224-F230 HydrophobicContact CZ2-CE1 3.43Å; W224-F230 VanDerWaalsContact CZ2-CE1 3.43Å; W224-F230 AromaticContact CZ2-CZ 3.8Å; W224-F230 HydrophobicContact CZ2-CZ 3.8Å; W224-F230 AromaticContact CZ3-CE1 3.72Å; W224-F230 HydrophobicContact CZ3-CE1 3.72Å; W224-F230 HydrophobicContact CZ3-CZ 4.11Å; W224-F230 AromaticContact NE1-CD1 3.6Å; W224-F230 AromaticContact NE1-CE1 3.79Å; D227-F230 HydrophobicContact CB-CB 4.12Å; D227-F230 PolarHBondContact O-N 3.43Å; D227-F230 WeakPolarHBondContact OD2-CB 3.41Å; F230-W232 PolarHBondContact O-N 3.49Å; F230-R233 PolarHBondContact O-N 3.2Å; F230-Y234 PolarHBondContact O-N 3.26Å; F230-I283 HydrophobicContact CE1-CD1 4.33Å; F230-I283 HydrophobicContact CZ-CD1 4.27Å
231	Q	93.6	Very high	93.3	Very high	74 Å²	74	62.9 Å²	62.9	35%	0.346	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-47.9	173.8	-173.9	-178	-22.7	0	0	111.5	D227 R233 Y234 E235	D227-Q231 WeakPolarHBondContact O-CB 3.31Å; D227-Q231 PolarHBondContact O-N 3.37Å; Q231-R233 VanDerWaalsContact C-N 3.32Å; Q231-R233 PolarHBondContact O-N 3.28Å; Q231-Y234 PolarHBondContact O-N 2.88Å; Q231-Y234 VanDerWaalsContact O-N 3.17Å; Q231-E235 PolarHBondContact NE2-OE1 3.26Å; Q231-E235 WeakPolarHBondContact O-CG 3.39Å; Q231-E235 PolarHBondContact O-N 2.96Å
232	W	93.4	Very high	93.2	Very high	155 Å²	155	63.4 Å²	63.4	59%	0.587	31%	0.314	S	S	*	.	H	α-helix	trans	-60.8	-41.3	178.2	-177.4	79.4	0	0	0	112.3	S228 L229 F230 Y234 E235 Q236	S228-W232 WeakPolarHBondContact O-CB 3.44Å; S228-W232 PolarHBondContact O-N 2.76Å; L229-W232 PolarHBondContact O-N 2.95Å; F230-W232 PolarHBondContact O-N 3.49Å; W232-Y234 VanDerWaalsContact C-N 3.33Å; W232-Y234 PolarHBondContact O-N 3.11Å; W232-E235 PolarHBondContact O-N 3.31Å; W232-Q236 PolarHBondContact O-N 2.92Å
233	R	94.6	Very high	93.1	Very high	49 Å²	49	62.8 Å²	62.8	19%	0.185	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-39.5	175.9	-177.1	59.9	178.8	160.2	0.4	112.1	E195 F196 E201 L229 F230 Q231 Q236 L237	E195-R233 PolarHBondContact O-NH2 3.04Å; F196-R233 HydrophobicContact CD2-CG 3.96Å; F196-R233 HydrophobicContact CE2-CG 3.99Å; E201-R233 HydrophobicContact CB-CB 4.2Å; E201-R233 HydrophobicContact CB-CG 4.26Å; E201-R233 HydrophobicContact CG-CB 4.32Å; L229-R233 PolarHBondContact O-N 2.67Å; F230-R233 PolarHBondContact O-N 3.2Å; Q231-R233 VanDerWaalsContact C-N 3.32Å; Q231-R233 PolarHBondContact O-N 3.28Å; R233-Q236 WeakPolarHBondContact O-CB 3.46Å; R233-Q236 PolarHBondContact O-N 3.49Å; R233-L237 PolarHBondContact O-N 3.06Å
234	Y	94	Very high	93.1	Very high	30 Å²	30	61.5 Å²	61.5	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-68.9	-41.4	175.3	-179	-108.7	0	0	0	112.8	F196 W224 F230 Q231 W232 Q236 L237 E238 H276 W279	F196-Y234 HydrophobicContact CE1-CD2 4.5Å; F196-Y234 HydrophobicContact CE2-CD2 4.25Å; F196-Y234 AromaticContact CZ-CD2 3.89Å; F196-Y234 HydrophobicContact CZ-CD2 3.89Å; W224-Y234 HydrophobicContact CH2-CD2 4.11Å; W224-Y234 HydrophobicContact CH2-CE2 4.41Å; W224-Y234 HydrophobicContact CH2-CG 4.38Å; W224-Y234 HydrophobicContact CZ2-CD1 4.01Å; W224-Y234 AromaticContact CZ2-CD2 3.73Å; W224-Y234 HydrophobicContact CZ2-CD2 3.73Å; W224-Y234 HydrophobicContact CZ2-CE2 4.33Å; W224-Y234 AromaticContact CZ2-CG 3.56Å; W224-Y234 HydrophobicContact CZ2-CG 3.56Å; F230-Y234 PolarHBondContact O-N 3.26Å; Q231-Y234 PolarHBondContact O-N 2.88Å; Q231-Y234 VanDerWaalsContact O-N 3.17Å; W232-Y234 VanDerWaalsContact C-N 3.33Å; W232-Y234 PolarHBondContact O-N 3.11Å; Y234-Q236 VanDerWaalsContact C-N 3.26Å; Y234-Q236 PolarHBondContact O-N 3.33Å; Y234-L237 HydrophobicContact CD2-CD2 4.42Å; Y234-L237 WeakPolarHBondContact O-CB 3.32Å; Y234-L237 PolarHBondContact O-N 3.16Å; Y234-L237 VanDerWaalsContact O-N 3.11Å; Y234-E238 PolarHBondContact O-N 2.93Å; Y234-H276 AromaticContact CE1-CD2 3.83Å; Y234-H276 AromaticContact CZ-CD2 3.97Å; Y234-H276 WeakPolarHBondContact OH-CA 3.48Å; Y234-H276 PolarHBondContact OH-N 3.04Å; Y234-W279 AromaticContact CE2-CD1 3.71Å; Y234-W279 HydrophobicContact CE2-CG 4.4Å; Y234-W279 AromaticContact CE2-NE1 3.99Å
235	E	93.7	Very high	92.9	Very high	79 Å²	79	62.8 Å²	62.8	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-36.9	174.4	-73.4	175.2	-170	0	0	111.7	Q231 W232 E238 N239	Q231-E235 PolarHBondContact NE2-OE1 3.26Å; Q231-E235 WeakPolarHBondContact O-CG 3.39Å; Q231-E235 PolarHBondContact O-N 2.96Å; W232-E235 PolarHBondContact O-N 3.31Å; E235-E238 PolarHBondContact O-N 3.28Å; E235-N239 WeakPolarHBondContact O-CB 3.24Å; E235-N239 VanDerWaalsContact O-CG 3.28Å; E235-N239 PolarHBondContact O-N 3.32Å; E235-N239 PolarHBondContact O-ND2 3.43Å; E235-N239 VanDerWaalsContact O-ND2 3.08Å
236	Q	93.9	Very high	92.8	Very high	77 Å²	77	67.1 Å²	67.1	36%	0.36	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-42.8	173.3	-170.3	-172.6	13.1	0	0	111.9	W232 R233 Y234 S240	W232-Q236 PolarHBondContact O-N 2.92Å; R233-Q236 WeakPolarHBondContact O-CB 3.46Å; R233-Q236 PolarHBondContact O-N 3.49Å; Y234-Q236 VanDerWaalsContact C-N 3.26Å; Y234-Q236 PolarHBondContact O-N 3.33Å; Q236-S240 WeakPolarHBondContact O-CB 3.49Å; Q236-S240 PolarHBondContact O-N 3.17Å; Q236-S240 PolarHBondContact O-OG 3.27Å
237	L	94.1	Very high	92.7	Very high	12 Å²	12	68.2 Å²	68.2	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-50.5	174.5	177.7	69.4	0	0	0	110.4	L192 Y193 F196 R233 Y234 N239 S240 M241 W279	L192-L237 HydrophobicContact CB-CD1 4.12Å; Y193-L237 HydrophobicContact CD1-CD1 4.01Å; Y193-L237 HydrophobicContact CD1-CD2 4.06Å; Y193-L237 HydrophobicContact CD1-CG 4.49Å; Y193-L237 HydrophobicContact CE1-CD1 4.39Å; Y193-L237 HydrophobicContact CE1-CD2 4.24Å; F196-L237 HydrophobicContact CB-CD1 4.33Å; F196-L237 HydrophobicContact CB-CD2 3.97Å; F196-L237 HydrophobicContact CD1-CD2 3.95Å; F196-L237 HydrophobicContact CD2-CB 4.28Å; F196-L237 HydrophobicContact CD2-CD2 4Å; F196-L237 HydrophobicContact CE1-CD2 4.45Å; F196-L237 HydrophobicContact CG-CD2 3.7Å; R233-L237 PolarHBondContact O-N 3.06Å; Y234-L237 HydrophobicContact CD2-CD2 4.42Å; Y234-L237 WeakPolarHBondContact O-CB 3.32Å; Y234-L237 PolarHBondContact O-N 3.16Å; Y234-L237 VanDerWaalsContact O-N 3.11Å; L237-N239 VanDerWaalsContact C-N 3.33Å; L237-N239 PolarHBondContact O-N 3.13Å; L237-S240 WeakPolarHBondContact O-CB 3.5Å; L237-S240 PolarHBondContact O-N 2.87Å; L237-S240 VanDerWaalsContact O-N 3.1Å; L237-M241 HydrophobicContact CD1-CE 3.93Å; L237-M241 HydrophobicContact CD1-CG 4.29Å; L237-M241 HydrophobicContact CG-CG 4.3Å; L237-M241 VanDerWaalsContact O-CG 3.3Å; L237-M241 WeakPolarHBondContact O-CG 3.39Å; L237-M241 PolarHBondContact O-N 3.16Å; L237-W279 HydrophobicContact CD2-CZ2 4.14Å
238	E	93.3	Very high	92.7	Very high	57 Å²	57	68 Å²	68	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-58.1	-44.7	-179	-165.3	-168.8	-167.7	0	0	111.6	Y234 E235 S240 M241 R242	Y234-E238 PolarHBondContact O-N 2.93Å; E235-E238 PolarHBondContact O-N 3.28Å; E238-S240 VanDerWaalsContact C-N 3.34Å; E238-S240 PolarHBondContact O-N 3.11Å; E238-M241 PolarHBondContact O-N 3.38Å; E238-R242 VanDerWaalsContact CD-CZ 3.46Å; E238-R242 VanDerWaalsContact O-CG 3.31Å; E238-R242 WeakPolarHBondContact O-CG 3.38Å; E238-R242 PolarHBondContact O-N 3.06Å; E238-R242 IonicContact OE1-CZ 3.39Å; E238-R242 IonicContact OE1-NE 2.61Å; E238-R242 IonicContact OE1-NH2 2.77Å; E238-R242 PolarHBondContact OE1-NH2 2.85Å; E238-R242 IonicContact OE2-CZ 2.72Å; E238-R242 IonicContact OE2-NH1 3.45Å; E238-R242 IonicContact OE2-NH2 3.4Å; E238-R242 PolarHBondContact OE2-NH2 3.41Å
239	N	93.4	Very high	92.6	Very high	85 Å²	85	68.6 Å²	68.6	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-40.7	176.5	-74.3	-35.8	0	0	0	112.3	E235 L237 R242 V243	E235-N239 WeakPolarHBondContact O-CB 3.24Å; E235-N239 VanDerWaalsContact O-CG 3.28Å; E235-N239 PolarHBondContact O-N 3.32Å; E235-N239 PolarHBondContact O-ND2 3.43Å; E235-N239 VanDerWaalsContact O-ND2 3.08Å; L237-N239 VanDerWaalsContact C-N 3.33Å; L237-N239 PolarHBondContact O-N 3.13Å; N239-R242 PolarHBondContact O-N 2.97Å; N239-R242 PolarHBondContact OD1-NH1 3.19Å; N239-V243 WeakPolarHBondContact O-CG2 3.19Å; N239-V243 PolarHBondContact O-N 3.1Å; N239-V243 VanDerWaalsContact O-N 3.12Å
240	S	93.1	Very high	92.6	Very high	41 Å²	41	71.5 Å²	71.5	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-42.2	176	-57.1	0	0	0	0	111.5	Q236 L237 E238 V243 L244	Q236-S240 WeakPolarHBondContact O-CB 3.49Å; Q236-S240 PolarHBondContact O-N 3.17Å; Q236-S240 PolarHBondContact O-OG 3.27Å; L237-S240 WeakPolarHBondContact O-CB 3.5Å; L237-S240 PolarHBondContact O-N 2.87Å; L237-S240 VanDerWaalsContact O-N 3.1Å; E238-S240 VanDerWaalsContact C-N 3.34Å; E238-S240 PolarHBondContact O-N 3.11Å; S240-V243 PolarHBondContact O-N 3.46Å; S240-L244 WeakPolarHBondContact O-CG 3.5Å; S240-L244 PolarHBondContact O-N 3.16Å
241	M	91.4	Very high	92.5	Very high	3 Å²	3	72 Å²	72	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-44.2	175.9	-67.7	-58.8	105.2	0	0	111.8	W189 L192 Y193 L237 E238 V243 L244 S245	W189-M241 HydrophobicContact CD2-SD 3.68Å; W189-M241 HydrophobicContact CE3-SD 4.31Å; W189-M241 HydrophobicContact CG-SD 4.01Å; W189-M241 HydrophobicContact CH2-CB 4.31Å; W189-M241 HydrophobicContact CH2-SD 4.19Å; W189-M241 HydrophobicContact CZ2-CB 4.21Å; W189-M241 HydrophobicContact CZ2-CG 4.29Å; W189-M241 HydrophobicContact CZ2-SD 3.53Å; W189-M241 VanDerWaalsContact CZ2-SD 3.53Å; W189-M241 PolarHBondContact NE1-SD 2.94Å; L192-M241 HydrophobicContact CB-CE 3.51Å; L192-M241 HydrophobicContact CD1-CE 3.27Å; L192-M241 HydrophobicContact CG-CE 4.03Å; Y193-M241 HydrophobicContact CD1-SD 4.35Å; Y193-M241 HydrophobicContact CE1-CG 4.1Å; Y193-M241 HydrophobicContact CE1-SD 3.68Å; L237-M241 HydrophobicContact CD1-CE 3.93Å; L237-M241 HydrophobicContact CD1-CG 4.29Å; L237-M241 HydrophobicContact CG-CG 4.3Å; L237-M241 VanDerWaalsContact O-CG 3.3Å; L237-M241 WeakPolarHBondContact O-CG 3.39Å; L237-M241 PolarHBondContact O-N 3.16Å; E238-M241 PolarHBondContact O-N 3.38Å; M241-V243 VanDerWaalsContact C-N 3.31Å; M241-V243 PolarHBondContact O-N 3.46Å; M241-L244 HydrophobicContact CE-CD1 4.04Å; M241-L244 PolarHBondContact O-N 3.36Å; M241-S245 VanDerWaalsContact O-CB 3.3Å; M241-S245 WeakPolarHBondContact O-CB 3.44Å; M241-S245 PolarHBondContact O-N 3.01Å
242	R	91.2	Very high	92.3	Very high	110 Å²	110	69.4 Å²	69.4	42%	0.415	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-40.7	176.1	-73.1	172.3	-175.7	168.7	-1.7	112.1	E238 N239 R246	E238-R242 VanDerWaalsContact CD-CZ 3.46Å; E238-R242 VanDerWaalsContact O-CG 3.31Å; E238-R242 WeakPolarHBondContact O-CG 3.38Å; E238-R242 PolarHBondContact O-N 3.06Å; E238-R242 IonicContact OE1-CZ 3.39Å; E238-R242 IonicContact OE1-NE 2.61Å; E238-R242 IonicContact OE1-NH2 2.77Å; E238-R242 PolarHBondContact OE1-NH2 2.85Å; E238-R242 IonicContact OE2-CZ 2.72Å; E238-R242 IonicContact OE2-NH1 3.45Å; E238-R242 IonicContact OE2-NH2 3.4Å; E238-R242 PolarHBondContact OE2-NH2 3.41Å; N239-R242 PolarHBondContact O-N 2.97Å; N239-R242 PolarHBondContact OD1-NH1 3.19Å; R242-R246 WeakPolarHBondContact O-CG 3.48Å; R242-R246 PolarHBondContact O-N 3.18Å; R242-R246 VanDerWaalsContact O-N 3.08Å
243	V	92.1	Very high	92.2	Very high	97 Å²	97	69.1 Å²	69.1	59%	0.588	31%	0.314	S	S	*	.	H	α-helix	trans	-66.2	-45.9	176.8	172.6	0	0	0	0	111.2	N239 S240 M241 R246 R247	N239-V243 WeakPolarHBondContact O-CG2 3.19Å; N239-V243 PolarHBondContact O-N 3.1Å; N239-V243 VanDerWaalsContact O-N 3.12Å; S240-V243 PolarHBondContact O-N 3.46Å; M241-V243 VanDerWaalsContact C-N 3.31Å; M241-V243 PolarHBondContact O-N 3.46Å; V243-R246 PolarHBondContact O-N 3.2Å; V243-R247 PolarHBondContact O-N 3.46Å
244	L	91.2	Very high	91.9	Very high	19 Å²	19	73 Å²	73	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-41.2	177.4	-73.7	179.7	0	0	0	112.3	I185 T188 W189 L192 S240 M241 R247 A248	I185-L244 HydrophobicContact CG2-CD2 4.49Å; T188-L244 HydrophobicContact CG2-CD1 4.18Å; W189-L244 HydrophobicContact CE3-CB 3.93Å; W189-L244 HydrophobicContact CE3-CD1 4.37Å; W189-L244 HydrophobicContact CZ3-CB 3.91Å; L192-L244 HydrophobicContact CD1-CD1 3.52Å; S240-L244 WeakPolarHBondContact O-CG 3.5Å; S240-L244 PolarHBondContact O-N 3.16Å; M241-L244 HydrophobicContact CE-CD1 4.04Å; M241-L244 PolarHBondContact O-N 3.36Å; L244-R247 WeakPolarHBondContact O-CB 3.38Å; L244-R247 PolarHBondContact O-N 3.1Å; L244-R247 VanDerWaalsContact O-N 3.17Å; L244-A248 WeakPolarHBondContact O-CB 3.5Å; L244-A248 PolarHBondContact O-N 3.39Å
245	S	90.4	Very high	91.7	Very high	36 Å²	36	71.5 Å²	71.5	25%	0.252	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-47.5	176.5	-178	0	0	0	0	111.5	M241 R247 A248 Q249	M241-S245 VanDerWaalsContact O-CB 3.3Å; M241-S245 WeakPolarHBondContact O-CB 3.44Å; M241-S245 PolarHBondContact O-N 3.01Å; S245-R247 VanDerWaalsContact C-N 3.29Å; S245-R247 PolarHBondContact O-N 2.86Å; S245-A248 PolarHBondContact O-N 3.38Å; S245-Q249 WeakPolarHBondContact O-CG 3.45Å; S245-Q249 PolarHBondContact O-N 3.38Å
246	R	91.2	Very high	91.4	Very high	159 Å²	159	73.1 Å²	73.1	60%	0.6	33%	0.332	S	S	*	.	H	α-helix	trans	-60.6	-38	174.4	-73	174.9	-178	178.3	1.8	112.2	R242 V243 R250	R242-R246 WeakPolarHBondContact O-CG 3.48Å; R242-R246 PolarHBondContact O-N 3.18Å; R242-R246 VanDerWaalsContact O-N 3.08Å; V243-R246 PolarHBondContact O-N 3.2Å; R246-R250 WeakPolarHBondContact O-CG 3.46Å; R246-R250 PolarHBondContact O-N 3.33Å; R246-R250 VanDerWaalsContact O-N 3.17Å
247	R	91.9	Very high	91	Very high	140 Å²	140	73.7 Å²	73.7	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-66.6	-46.4	176.1	-174.1	-179.4	177.3	172.8	-1.2	111.3	I185 V243 L244 S245 Q249 R250 V251	I185-R247 HydrophobicContact CD1-CG 3.97Å; V243-R247 PolarHBondContact O-N 3.46Å; L244-R247 WeakPolarHBondContact O-CB 3.38Å; L244-R247 PolarHBondContact O-N 3.1Å; L244-R247 VanDerWaalsContact O-N 3.17Å; S245-R247 VanDerWaalsContact C-N 3.29Å; S245-R247 PolarHBondContact O-N 2.86Å; R247-Q249 PolarHBondContact O-N 3.03Å; R247-R250 PolarHBondContact O-N 3.3Å; R247-V251 WeakPolarHBondContact O-CG2 3.47Å; R247-V251 PolarHBondContact O-N 3.46Å
248	A	91.3	Very high	90.5	Very high	5 Å²	5	75.8 Å²	75.8	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-58.3	-47.7	176.9	0	0	0	0	0	111	L182 I185 L244 S245 R250 V251 I252	L182-A248 HydrophobicContact CD2-CB 4.38Å; I185-A248 HydrophobicContact CD1-CB 4.39Å; I185-A248 HydrophobicContact CG2-CB 4.27Å; L244-A248 WeakPolarHBondContact O-CB 3.5Å; L244-A248 PolarHBondContact O-N 3.39Å; S245-A248 PolarHBondContact O-N 3.38Å; A248-R250 VanDerWaalsContact C-N 3.33Å; A248-R250 PolarHBondContact O-N 3.21Å; A248-V251 PolarHBondContact O-N 3.12Å; A248-V251 VanDerWaalsContact O-N 3.11Å; A248-I252 WeakPolarHBondContact O-CD1 3.17Å; A248-I252 VanDerWaalsContact O-CG1 3.26Å; A248-I252 WeakPolarHBondContact O-CG1 3.37Å; A248-I252 PolarHBondContact O-N 3.2Å
249	Q	91	Very high	90.2	Very high	100 Å²	100	73.8 Å²	73.8	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-54.8	-46.1	175.6	-74.3	175.4	-15.1	0	0	112.1	S245 R247 V251 I252 F253	S245-Q249 WeakPolarHBondContact O-CG 3.45Å; S245-Q249 PolarHBondContact O-N 3.38Å; R247-Q249 PolarHBondContact O-N 3.03Å; Q249-V251 PolarHBondContact O-N 3.06Å; Q249-I252 PolarHBondContact O-N 3.5Å; Q249-F253 HydrophobicContact CB-CE2 4.37Å; Q249-F253 WeakPolarHBondContact O-CD2 3.49Å; Q249-F253 PolarHBondContact O-N 3.49Å
250	R	91.9	Very high	89.6	Confident	172 Å²	172	76.6 Å²	76.6	65%	0.649	36%	0.356	S	S	*	.	H	α-helix	trans	-61.8	-41.5	176.8	-69.8	174.9	-164	170	3.4	112.6	R246 R247 A248 I252 F253 K254	R246-R250 WeakPolarHBondContact O-CG 3.46Å; R246-R250 PolarHBondContact O-N 3.33Å; R246-R250 VanDerWaalsContact O-N 3.17Å; R247-R250 PolarHBondContact O-N 3.3Å; A248-R250 VanDerWaalsContact C-N 3.33Å; A248-R250 PolarHBondContact O-N 3.21Å; R250-I252 VanDerWaalsContact C-N 3.35Å; R250-F253 PolarHBondContact O-N 2.97Å; R250-K254 WeakPolarHBondContact O-CG 3.46Å; R250-K254 PolarHBondContact O-N 3.16Å
251	V	91.2	Very high	89	Confident	13 Å²	13	78.6 Å²	78.6	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-42	177.7	176.3	0	0	0	0	110.3	M178 L182 I185 R247 A248 Q249 K254 L255	M178-V251 HydrophobicContact CB-CG1 4.04Å; M178-V251 WeakPolarHBondContact O-CG1 3.45Å; M178-V251 HydrophobicContact SD-CG1 4.07Å; L182-V251 HydrophobicContact CD1-CG1 4.28Å; L182-V251 HydrophobicContact CD2-CB 3.87Å; L182-V251 HydrophobicContact CD2-CG1 3.73Å; L182-V251 HydrophobicContact CG-CB 4.37Å; L182-V251 HydrophobicContact CG-CG1 3.66Å; I185-V251 HydrophobicContact CD1-CG2 4.41Å; R247-V251 WeakPolarHBondContact O-CG2 3.47Å; R247-V251 PolarHBondContact O-N 3.46Å; A248-V251 PolarHBondContact O-N 3.12Å; A248-V251 VanDerWaalsContact O-N 3.11Å; Q249-V251 PolarHBondContact O-N 3.06Å; V251-K254 PolarHBondContact O-N 3.42Å; V251-L255 VanDerWaalsContact O-CB 3.25Å; V251-L255 WeakPolarHBondContact O-CB 3.45Å; V251-L255 PolarHBondContact O-N 3.44Å
252	I	90.2	Very high	88.5	Confident	18 Å²	18	79.4 Å²	79.4	9%	0.092	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-48	176	-69.6	157.1	0	0	0	111.4	L182 A248 Q249 R250 K254 L255 F256 I268 I270	L182-I252 HydrophobicContact CD1-CG1 4.16Å; L182-I252 HydrophobicContact CD2-CG1 4.05Å; A248-I252 WeakPolarHBondContact O-CD1 3.17Å; A248-I252 VanDerWaalsContact O-CG1 3.26Å; A248-I252 WeakPolarHBondContact O-CG1 3.37Å; A248-I252 PolarHBondContact O-N 3.2Å; Q249-I252 PolarHBondContact O-N 3.5Å; R250-I252 VanDerWaalsContact C-N 3.35Å; I252-K254 VanDerWaalsContact C-N 3.3Å; I252-K254 PolarHBondContact O-N 2.94Å; I252-L255 PolarHBondContact O-N 3.03Å; I252-F256 HydrophobicContact CG2-CD2 3.49Å; I252-F256 VanDerWaalsContact CG2-CD2 3.49Å; I252-F256 HydrophobicContact CG2-CE2 3.33Å; I252-F256 VanDerWaalsContact O-CD2 3.26Å; I252-F256 WeakPolarHBondContact O-CD2 3.49Å; I252-F256 PolarHBondContact O-N 2.85Å; I252-I268 HydrophobicContact CD1-CG2 4.31Å; I252-I268 HydrophobicContact CG1-CG2 4.11Å; I252-I268 HydrophobicContact CG2-CD1 4.36Å; I252-I270 HydrophobicContact CD1-CD1 3.22Å; I252-I270 HydrophobicContact CD1-CG1 3.76Å; I252-I270 HydrophobicContact CG1-CD1 4.46Å
253	F	90.3	Very high	87.7	Confident	150 Å²	150	81.3 Å²	81.3	66%	0.658	38%	0.376	S	S	*	.	H	α-helix	trans	-59.9	-41	176.9	-76.7	-61.5	0	0	0	112.2	Q249 R250 S257	Q249-F253 HydrophobicContact CB-CE2 4.37Å; Q249-F253 WeakPolarHBondContact O-CD2 3.49Å; Q249-F253 PolarHBondContact O-N 3.49Å; R250-F253 PolarHBondContact O-N 2.97Å; F253-S257 WeakPolarHBondContact O-CB 3.48Å; F253-S257 PolarHBondContact O-N 2.86Å
254	K	89.5	Confident	86.8	Confident	129 Å²	129	80.5 Å²	80.5	56%	0.561	36%	0.362	S	S	*	.	H	α-helix	trans	-63.5	-44.9	174.5	-74.8	-177.5	177.1	-168	0	111.8	M178 R250 V251 I252 S257 L258	M178-K254 HydrophobicContact SD-CD 4.48Å; R250-K254 WeakPolarHBondContact O-CG 3.46Å; R250-K254 PolarHBondContact O-N 3.16Å; V251-K254 PolarHBondContact O-N 3.42Å; I252-K254 VanDerWaalsContact C-N 3.3Å; I252-K254 PolarHBondContact O-N 2.94Å; K254-S257 WeakPolarHBondContact O-CB 3.44Å; K254-S257 PolarHBondContact O-N 3.04Å; K254-S257 VanDerWaalsContact O-N 3.12Å; K254-L258 WeakPolarHBondContact O-CG 3.34Å; K254-L258 PolarHBondContact O-N 2.65Å
255	L	88.8	Confident	86	Confident	0 Å²	0	88 Å²	88	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-66.1	-37.9	-179.5	171.9	153.7	0	0	0	111.7	M178 E179 L182 V251 I252 L258 S259 P266 I268	M178-L255 HydrophobicContact CB-CB 4.23Å; M178-L255 HydrophobicContact CB-CD1 4.08Å; E179-L255 HydrophobicContact CG-CD1 3.86Å; L182-L255 HydrophobicContact CD1-CD1 4.1Å; V251-L255 VanDerWaalsContact O-CB 3.25Å; V251-L255 WeakPolarHBondContact O-CB 3.45Å; V251-L255 PolarHBondContact O-N 3.44Å; I252-L255 PolarHBondContact O-N 3.03Å; L255-L258 PolarHBondContact O-N 3.22Å; L255-S259 WeakPolarHBondContact O-CB 3.25Å; L255-S259 PolarHBondContact O-N 3.47Å; L255-S259 PolarHBondContact O-OG 3.48Å; L255-P266 HydrophobicContact CD1-CB 4.11Å; L255-P266 HydrophobicContact CD2-CB 3.42Å; L255-P266 VanDerWaalsContact CD2-CB 3.42Å; L255-P266 HydrophobicContact CD2-CG 3.33Å; L255-P266 HydrophobicContact CG-CB 3.81Å; L255-P266 HydrophobicContact CG-CG 4.18Å; L255-I268 HydrophobicContact CD2-CD1 3.76Å; L255-I268 HydrophobicContact CD2-CG1 3.82Å
256	F	87.5	Confident	85.3	Confident	113 Å²	113	87.5 Å²	87.5	50%	0.496	39%	0.393	S	S	.	.	H	α-helix	trans	-63.4	-40.9	168.5	-81.8	-60.8	0	0	0	112.4	I252 S259 K260 I268	I252-F256 HydrophobicContact CG2-CD2 3.49Å; I252-F256 VanDerWaalsContact CG2-CD2 3.49Å; I252-F256 HydrophobicContact CG2-CE2 3.33Å; I252-F256 VanDerWaalsContact O-CD2 3.26Å; I252-F256 WeakPolarHBondContact O-CD2 3.49Å; I252-F256 PolarHBondContact O-N 2.85Å; F256-S259 WeakPolarHBondContact CA-OG 3.02Å; F256-S259 PolarHBondContact O-N 3.33Å; F256-S259 PolarHBondContact O-OG 3.41Å; F256-K260 PolarHBondContact O-N 3.29Å; F256-K260 VanDerWaalsContact O-N 3.11Å; F256-I268 HydrophobicContact CD2-CD1 4.4Å; F256-I268 HydrophobicContact CE1-CD1 3.96Å; F256-I268 HydrophobicContact CE2-CD1 3.65Å; F256-I268 HydrophobicContact CZ-CD1 3.38Å
257	S	85.3	Confident	84.7	Confident	89 Å²	89	86.5 Å²	86.5	62%	0.622	40%	0.395	S	S	*	.	H	α-helix	trans	-63.5	-42.3	176.9	-171.3	0	0	0	0	112.3	F253 K254	F253-S257 WeakPolarHBondContact O-CB 3.48Å; F253-S257 PolarHBondContact O-N 2.86Å; K254-S257 WeakPolarHBondContact O-CB 3.44Å; K254-S257 PolarHBondContact O-N 3.04Å; K254-S257 VanDerWaalsContact O-N 3.12Å
258	L	84.3	Confident	84.1	Confident	56 Å²	56	82.7 Å²	82.7	29%	0.293	39%	0.385	S	S	.	.	H	α-helix	trans	-70.9	-32.8	179.2	-68.3	169.8	0	0	0	112.3	P171 D174 I175 M178 K254 L255	P171-L258 HydrophobicContact CG-CB 4.3Å; P171-L258 HydrophobicContact CG-CD2 3.83Å; D174-L258 HydrophobicContact CB-CD1 4.11Å; I175-L258 HydrophobicContact CG1-CB 4.05Å; M178-L258 HydrophobicContact CG-CD1 4.19Å; K254-L258 WeakPolarHBondContact O-CG 3.34Å; K254-L258 PolarHBondContact O-N 2.65Å; L255-L258 PolarHBondContact O-N 3.22Å
259	S	86.2	Confident	83.5	Confident	15 Å²	15	92 Å²	92	11%	0.105	42%	0.418	C	S	.	.	H	α-helix	trans	-90.5	-3.7	-177.8	58.2	0	0	0	0	114.7	L255 F256 R261 C262	L255-S259 WeakPolarHBondContact O-CB 3.25Å; L255-S259 PolarHBondContact O-N 3.47Å; L255-S259 PolarHBondContact O-OG 3.48Å; F256-S259 WeakPolarHBondContact CA-OG 3.02Å; F256-S259 PolarHBondContact O-N 3.33Å; F256-S259 PolarHBondContact O-OG 3.41Å; S259-R261 PolarHBondContact O-N 3.08Å; S259-C262 PolarHBondContact O-N 2.78Å
260	K	82.8	Confident	82.8	Confident	143 Å²	143	91.9 Å²	91.9	62%	0.622	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-34	-175.5	-173	-175.1	-179.8	-170.3	0	114.1	D156 F256	D156-K260 IonicContact OD2-NZ 3.73Å; D156-K260 PolarHBondContact OD2-NZ 2.9Å; F256-K260 PolarHBondContact O-N 3.29Å; F256-K260 VanDerWaalsContact O-N 3.11Å
261	R	79.4	Confident	82	Confident	83 Å²	83	85.3 Å²	85.3	31%	0.313	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	12.6	-177.2	-60.1	174.6	-177.8	-104.5	8.3	112.8	D156 W158 N169 S259	D156-R261 IonicContact OD1-CZ 3.19Å; D156-R261 IonicContact OD1-NE 3.53Å; D156-R261 IonicContact OD1-NH2 3.81Å; D156-R261 PolarHBondContact OD1-NH2 2.95Å; D156-R261 IonicContact OD2-CZ 3.41Å; D156-R261 IonicContact OD2-NH2 3.95Å; D156-R261 PolarHBondContact OD2-NH2 3.4Å; W158-R261 VanDerWaalsContact CD2-CZ 3.48Å; W158-R261 VanDerWaalsContact CG-CZ 3.45Å; N169-R261 HydrophobicContact CB-CB 4.2Å; S259-R261 PolarHBondContact O-N 3.08Å
262	C	80.9	Confident	81.6	Confident	20 Å²	20	95.7 Å²	95.7	14%	0.135	44%	0.438	C	S	.	.			trans	-87.6	145.7	173.2	-71.4	0	0	0	0	110.3	C170 I175 S259 R264	C170-C262 WeakPolarHBondContact CA-SG 2.94Å; C170-C262 HydrophobicContact CB-CB 4.05Å; C170-C262 WeakPolarHBondContact CB-SG 3.23Å; C170-C262 WeakPolarHBondContact SG-CB 3.2Å; C170-C262 CovalentContact SG-SG 2.05Å; C170-C262 PolarHBondContact SG-SG 3.32Å; I175-C262 VanDerWaalsContact CD1-SG 3.55Å; S259-C262 PolarHBondContact O-N 2.78Å; C262-R264 VanDerWaalsContact C-N 3.29Å
263	H	73.8	Confident	81.3	Confident	150 Å²	150	98.9 Å²	98.9	69%	0.694	45%	0.452	S	S	*	.	S	Bend	trans	-76.2	-20.4	169.3	-65.3	84.6	0	0	0	112.1
264	R	73.4	Confident	81.3	Confident	80 Å²	80	95.5 Å²	95.5	30%	0.302	44%	0.435	S	S	.	.	S	Bend	trans	-74.3	125.2	177.2	-179.7	175.9	172	166.8	-2.1	111.1	E179 C262	E179-R264 IonicContact OE1-NH2 3.22Å; E179-R264 IonicContact OE2-CZ 3.59Å; E179-R264 IonicContact OE2-NH2 2.59Å; E179-R264 PolarHBondContact OE2-NH2 2.68Å; C262-R264 VanDerWaalsContact C-N 3.29Å
265	Q	74.9	Confident	81.3	Confident	177 Å²	177	92.8 Å²	92.8	83%	0.827	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-80.1	120.6	167.9	-66.2	-179.3	-5.1	0	0	109.4
266	P	76.8	Confident	81.4	Confident	26 Å²	26	95.7 Å²	95.7	17%	0.169	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-76.7	145	-179.1	33	-36.2	0	0	0	111.1	E179 L255 I268	E179-P266 WeakPolarHBondContact OE1-CA 3.29Å; L255-P266 HydrophobicContact CD1-CB 4.11Å; L255-P266 HydrophobicContact CD2-CB 3.42Å; L255-P266 VanDerWaalsContact CD2-CB 3.42Å; L255-P266 HydrophobicContact CD2-CG 3.33Å; L255-P266 HydrophobicContact CG-CB 3.81Å; L255-P266 HydrophobicContact CG-CG 4.18Å; P266-I268 PolarHBondContact O-N 2.75Å
267	Q	77.8	Confident	81.6	Confident	138 Å²	138	94.2 Å²	94.2	65%	0.645	45%	0.448	S	S	*	.			trans	-83.5	110.5	-179.8	-65.7	-164	7	0	0	111	E179	E179-Q267 PolarHBondContact OE1-N 3.17Å
268	I	79.8	Confident	81.9	Confident	60 Å²	60	94.3 Å²	94.3	31%	0.308	44%	0.435	S	S	.	.			trans	-110.4	108.5	178.7	-55.7	170.9	0	0	0	108.8	I252 L255 F256 P266 I270	I252-I268 HydrophobicContact CD1-CG2 4.31Å; I252-I268 HydrophobicContact CG1-CG2 4.11Å; I252-I268 HydrophobicContact CG2-CD1 4.36Å; L255-I268 HydrophobicContact CD2-CD1 3.76Å; L255-I268 HydrophobicContact CD2-CG1 3.82Å; F256-I268 HydrophobicContact CD2-CD1 4.4Å; F256-I268 HydrophobicContact CE1-CD1 3.96Å; F256-I268 HydrophobicContact CE2-CD1 3.65Å; F256-I268 HydrophobicContact CZ-CD1 3.38Å; P266-I268 PolarHBondContact O-N 2.75Å; I268-I270 HydrophobicContact CG2-CD1 4.15Å; I268-I270 HydrophobicContact CG2-CG1 3.95Å
269	R	77.6	Confident	82.3	Confident	199 Å²	199	91.7 Å²	91.7	75%	0.751	42%	0.422	S	S	*	.			trans	-120.5	118.4	169.7	-64.9	-176.1	-177.2	-169.3	1.8	108.4
270	I	76.8	Confident	82.6	Confident	98 Å²	98	91.2 Å²	91.2	50%	0.503	42%	0.418	S	S	.	.			trans	-115.7	127.3	179.3	-48.5	170.5	0	0	0	107.7	I252 I268	I252-I270 HydrophobicContact CD1-CD1 3.22Å; I252-I270 HydrophobicContact CD1-CG1 3.76Å; I252-I270 HydrophobicContact CG1-CD1 4.46Å; I268-I270 HydrophobicContact CG2-CD1 4.15Å; I268-I270 HydrophobicContact CG2-CG1 3.95Å
271	P	75.9	Confident	83	Confident	35 Å²	35	85.6 Å²	85.6	23%	0.227	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-64.4	138.9	171.9	26	-32.1	0	0	0	110.3	T186 W189	T186-P271 HydrophobicContact CG2-CB 4.43Å; T186-P271 HydrophobicContact CG2-CG 4.2Å; W189-P271 HydrophobicContact CB-CG 4.04Å; W189-P271 HydrophobicContact CD2-CB 4.32Å; W189-P271 HydrophobicContact CD2-CG 3.68Å; W189-P271 HydrophobicContact CE3-CG 3.94Å; W189-P271 HydrophobicContact CG-CB 4.15Å; W189-P271 HydrophobicContact CG-CG 3.72Å
272	R	82.3	Confident	83.6	Confident	230 Å²	230	82.4 Å²	82.4	87%	0.868	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-77.4	131.4	174.9	-171.1	175.6	178.4	179.3	-0.5	109.7
273	E	84.5	Confident	84.2	Confident	85 Å²	85	81.5 Å²	81.5	40%	0.397	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-62.8	136.2	173.6	-172.4	171.2	-171.8	0	0	110.8	W189 P275	W189-E273 HydrophobicContact CZ2-CB 4.06Å; W189-E273 HydrophobicContact CZ2-CG 4.29Å; E273-P275 WeakPolarHBondContact O-CD 3.48Å
274	R	89	Confident	85	Confident	79 Å²	79	74.5 Å²	74.5	30%	0.298	35%	0.351	S	S	.	.			trans	-89.4	111.1	179.3	-72.4	175.6	175.9	-172.6	1.9	108.2	Y193 Y278	Y193-R274 HydrophobicContact CE2-CB 4.36Å; Y193-R274 VanDerWaalsContact CE2-CD 3.5Å; Y193-R274 HydrophobicContact CE2-CG 3.79Å; Y193-R274 PolarHBondContact OH-N 2.96Å; R274-Y278 HydrophobicContact CB-CD1 3.85Å; R274-Y278 HydrophobicContact CB-CE1 4.49Å; R274-Y278 HydrophobicContact CB-CG 4.1Å; R274-Y278 VanDerWaalsContact CD-CE1 3.45Å; R274-Y278 HydrophobicContact CG-CD1 3.92Å; R274-Y278 HydrophobicContact CG-CE1 4.14Å; R274-Y278 HydrophobicContact CG-CG 4.16Å; R274-Y278 PolarHBondContact NH1-OH 2.77Å
275	P	90.8	Very high	85.8	Confident	73 Å²	73	71 Å²	71	47%	0.474	34%	0.338	S	S	.	.			trans	-68.1	165.2	-179.4	29.9	-35.8	0	0	0	111.3	E273 S277 Y278	E273-P275 WeakPolarHBondContact O-CD 3.48Å; P275-S277 PolarHBondContact O-N 3.45Å; P275-Y278 VanDerWaalsContact O-CB 3.3Å; P275-Y278 WeakPolarHBondContact O-CB 3.37Å; P275-Y278 PolarHBondContact O-N 2.94Å
276	H	89.9	Confident	86.5	Confident	61 Å²	61	64 Å²	64	28%	0.282	31%	0.307	S	S	.	.	H	α-helix	trans	-51.9	-39.7	175.8	-176.8	-108.9	0	0	0	113.1	W224 Y234 Y278 W279 L280	W224-H276 AromaticContact CD2-NE2 3.85Å; W224-H276 AromaticContact CE2-NE2 3.92Å; W224-H276 AromaticContact CE3-NE2 3.93Å; Y234-H276 AromaticContact CE1-CD2 3.83Å; Y234-H276 AromaticContact CZ-CD2 3.97Å; Y234-H276 WeakPolarHBondContact OH-CA 3.48Å; Y234-H276 PolarHBondContact OH-N 3.04Å; H276-Y278 VanDerWaalsContact C-N 3.29Å; H276-Y278 PolarHBondContact O-N 3.43Å; H276-W279 PolarHBondContact O-N 2.89Å; H276-W279 VanDerWaalsContact O-N 3.08Å; H276-L280 PolarHBondContact O-N 2.02Å; H276-L280 VanDerWaalsContact O-N 3.12Å
277	S	91.3	Very high	87.1	Confident	82 Å²	82	63.8 Å²	63.8	57%	0.573	30%	0.303	S	S	*	.	H	α-helix	trans	-61	-32.6	176.8	54.3	0	0	0	0	114.1	P275 W279 L280 G281	P275-S277 PolarHBondContact O-N 3.45Å; S277-W279 VanDerWaalsContact C-N 3.33Å; S277-L280 PolarHBondContact O-N 3.06Å; S277-G281 PolarHBondContact O-N 2.65Å
278	Y	92	Very high	87.7	Confident	91 Å²	91	57.7 Å²	57.7	36%	0.357	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-44.4	174.1	171.2	-82.4	0	0	0	110.5	R274 P275 H276 G281 H282	R274-Y278 HydrophobicContact CB-CD1 3.85Å; R274-Y278 HydrophobicContact CB-CE1 4.49Å; R274-Y278 HydrophobicContact CB-CG 4.1Å; R274-Y278 VanDerWaalsContact CD-CE1 3.45Å; R274-Y278 HydrophobicContact CG-CD1 3.92Å; R274-Y278 HydrophobicContact CG-CE1 4.14Å; R274-Y278 HydrophobicContact CG-CG 4.16Å; R274-Y278 PolarHBondContact NH1-OH 2.77Å; P275-Y278 VanDerWaalsContact O-CB 3.3Å; P275-Y278 WeakPolarHBondContact O-CB 3.37Å; P275-Y278 PolarHBondContact O-N 2.94Å; H276-Y278 VanDerWaalsContact C-N 3.29Å; H276-Y278 PolarHBondContact O-N 3.43Å; Y278-G281 PolarHBondContact O-N 2.9Å; Y278-H282 HydrophobicContact CE1-CB 4.22Å; Y278-H282 WeakPolarHBondContact O-CB 3.49Å; Y278-H282 PolarHBondContact O-N 3.44Å
279	W	92.9	Very high	88.1	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-68.9	-37.2	-178.6	-68.9	106.5	0	0	0	112.3	Y193 F196 W224 Y234 L237 H276 S277 H282 I283	Y193-W279 HydrophobicContact CD1-CH2 4.41Å; Y193-W279 AromaticContact CD1-CZ2 3.74Å; Y193-W279 HydrophobicContact CD1-CZ2 3.74Å; Y193-W279 HydrophobicContact CE1-CZ2 4.12Å; Y193-W279 HydrophobicContact CG-CZ2 4.19Å; F196-W279 HydrophobicContact CD1-CD2 4.45Å; F196-W279 HydrophobicContact CD1-CE3 4.15Å; F196-W279 AromaticContact CD1-CH2 3.67Å; F196-W279 HydrophobicContact CD1-CH2 3.67Å; F196-W279 HydrophobicContact CD1-CZ2 4.01Å; F196-W279 AromaticContact CD1-CZ3 3.76Å; F196-W279 HydrophobicContact CD1-CZ3 3.76Å; F196-W279 HydrophobicContact CE1-CD2 4.05Å; F196-W279 AromaticContact CE1-CE3 3.88Å; F196-W279 HydrophobicContact CE1-CE3 3.88Å; F196-W279 HydrophobicContact CE1-CH2 4.22Å; F196-W279 HydrophobicContact CE1-CZ2 4.39Å; F196-W279 AromaticContact CE1-CZ3 3.97Å; F196-W279 HydrophobicContact CE1-CZ3 3.97Å; W224-W279 HydrophobicContact CH2-CB 3.84Å; W224-W279 HydrophobicContact CZ3-CB 3.97Å; Y234-W279 AromaticContact CE2-CD1 3.71Å; Y234-W279 HydrophobicContact CE2-CG 4.4Å; Y234-W279 AromaticContact CE2-NE1 3.99Å; L237-W279 HydrophobicContact CD2-CZ2 4.14Å; H276-W279 PolarHBondContact O-N 2.89Å; H276-W279 VanDerWaalsContact O-N 3.08Å; S277-W279 VanDerWaalsContact C-N 3.33Å; W279-H282 WeakPolarHBondContact O-CB 3.49Å; W279-H282 PolarHBondContact O-N 3.19Å; W279-I283 VanDerWaalsContact O-CG1 3.28Å; W279-I283 WeakPolarHBondContact O-CG1 3.14Å; W279-I283 PolarHBondContact O-N 3.08Å
280	L	92.8	Very high	88.5	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-48	172.4	-64.8	173.8	0	0	0	111.5	V217 I220 Q221 W224 H276 S277 H282 I283 Q284	V217-L280 HydrophobicContact CG1-CB 4.05Å; V217-L280 HydrophobicContact CG1-CD1 3.79Å; I220-L280 HydrophobicContact CB-CD2 4.45Å; I220-L280 HydrophobicContact CG2-CD2 3.88Å; Q221-L280 HydrophobicContact CB-CD1 4.08Å; Q221-L280 HydrophobicContact CB-CD2 4.11Å; W224-L280 HydrophobicContact CE3-CD2 3.63Å; W224-L280 HydrophobicContact CZ3-CD2 4.04Å; H276-L280 PolarHBondContact O-N 2.02Å; H276-L280 VanDerWaalsContact O-N 3.12Å; S277-L280 PolarHBondContact O-N 3.06Å; L280-H282 VanDerWaalsContact C-N 3.31Å; L280-H282 PolarHBondContact O-N 2.61Å; L280-I283 PolarHBondContact O-N 2.92Å; L280-Q284 WeakPolarHBondContact O-CB 3.5Å; L280-Q284 PolarHBondContact O-N 2.98Å
281	G	91.4	Very high	88.7	Confident	25 Å²	25	46.9 Å²	46.9	26%	0.258	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-33.4	175.7	0	0	0	0	0	113.3	S277 Y278 S285	S277-G281 PolarHBondContact O-N 2.65Å; Y278-G281 PolarHBondContact O-N 2.9Å; G281-S285 WeakPolarHBondContact O-CB 3.48Å; G281-S285 PolarHBondContact O-N 2.81Å; G281-S285 PolarHBondContact O-OG 3.14Å
282	H	91.8	Very high	88.7	Confident	17 Å²	17	49.9 Å²	49.9	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-46.7	174.2	-172.6	76.4	0	0	0	111.6	E197 Y278 W279 L280 Q284 S285 L286 L295	E197-H282 IonicContact OE1-CD2 3.06Å; E197-H282 IonicContact OE1-CE1 3.94Å; E197-H282 PolarHBondContact OE1-CE1 2.88Å; E197-H282 IonicContact OE1-NE2 3.38Å; E197-H282 PolarHBondContact OE1-NE2 3.17Å; Y278-H282 HydrophobicContact CE1-CB 4.22Å; Y278-H282 WeakPolarHBondContact O-CB 3.49Å; Y278-H282 PolarHBondContact O-N 3.44Å; W279-H282 WeakPolarHBondContact O-CB 3.49Å; W279-H282 PolarHBondContact O-N 3.19Å; L280-H282 VanDerWaalsContact C-N 3.31Å; L280-H282 PolarHBondContact O-N 2.61Å; H282-Q284 VanDerWaalsContact C-N 3.33Å; H282-Q284 PolarHBondContact O-N 3.41Å; H282-S285 PolarHBondContact O-N 3.46Å; H282-L286 WeakPolarHBondContact O-CG 3.32Å; H282-L286 PolarHBondContact O-N 2.99Å; H282-L295 VanDerWaalsContact CE1-CD2 3.48Å; H282-L295 WeakPolarHBondContact CE1-CD2 3.36Å
283	I	92.3	Very high	88.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-42.8	176	-68.2	167.7	0	0	0	110.6	F202 F205 L209 I220 W224 F230 W279 L280 S285 L286 L287	F202-I283 HydrophobicContact CE2-CD1 4.21Å; F202-I283 HydrophobicContact CE2-CG1 4.01Å; F202-I283 HydrophobicContact CZ-CG1 3.93Å; F205-I283 HydrophobicContact CD1-CD1 4.29Å; F205-I283 HydrophobicContact CE1-CD1 3.94Å; F205-I283 HydrophobicContact CE1-CG2 4.47Å; L209-I283 HydrophobicContact CD1-CG2 3.62Å; I220-I283 HydrophobicContact CG2-CG2 4.05Å; W224-I283 HydrophobicContact CE3-CD1 3.94Å; W224-I283 HydrophobicContact CH2-CD1 4.45Å; W224-I283 HydrophobicContact CZ3-CD1 3.55Å; F230-I283 HydrophobicContact CE1-CD1 4.33Å; F230-I283 HydrophobicContact CZ-CD1 4.27Å; W279-I283 VanDerWaalsContact O-CG1 3.28Å; W279-I283 WeakPolarHBondContact O-CG1 3.14Å; W279-I283 PolarHBondContact O-N 3.08Å; L280-I283 PolarHBondContact O-N 2.92Å; I283-S285 VanDerWaalsContact C-N 3.33Å; I283-S285 PolarHBondContact O-N 3.27Å; I283-L286 WeakPolarHBondContact O-CB 3.43Å; I283-L286 PolarHBondContact O-N 3.13Å; I283-L287 WeakPolarHBondContact O-CG 3.44Å; I283-L287 PolarHBondContact O-N 2.96Å
284	Q	90.7	Very high	88	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-38.5	176	-167.1	174.5	44.8	0	0	112.4	L215 I220 L280 H282 L286 L287 Y288 F298 E300	L215-Q284 PolarHBondContact O-NE2 2.92Å; L215-Q284 VanDerWaalsContact O-NE2 3.07Å; I220-Q284 HydrophobicContact CD1-CB 3.9Å; I220-Q284 HydrophobicContact CD1-CG 4.2Å; L280-Q284 WeakPolarHBondContact O-CB 3.5Å; L280-Q284 PolarHBondContact O-N 2.98Å; H282-Q284 VanDerWaalsContact C-N 3.33Å; H282-Q284 PolarHBondContact O-N 3.41Å; Q284-L286 VanDerWaalsContact C-N 3.31Å; Q284-L286 PolarHBondContact O-N 2.81Å; Q284-L287 PolarHBondContact O-N 3.41Å; Q284-Y288 HydrophobicContact CG-CD2 3.72Å; Q284-Y288 HydrophobicContact CG-CE2 3.81Å; Q284-Y288 WeakPolarHBondContact O-CD2 3.36Å; Q284-Y288 PolarHBondContact O-N 3.33Å; Q284-F298 VanDerWaalsContact CD-CD1 3.41Å; Q284-F298 HydrophobicContact CG-CB 4.48Å; Q284-F298 HydrophobicContact CG-CD1 3.61Å; Q284-F298 HydrophobicContact CG-CE1 4.13Å; Q284-F298 HydrophobicContact CG-CG 4.26Å; Q284-E300 PolarHBondContact NE2-OE1 3.21Å; Q284-E300 VanDerWaalsContact OE1-CG 3.25Å; Q284-E300 PolarHBondContact OE1-OE1 3.31Å
285	S	90.9	Very high	87.7	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-32.5	173.8	-58.7	0	0	0	0	112.2	G281 H282 I283 L287 C289 G296 F298	G281-S285 WeakPolarHBondContact O-CB 3.48Å; G281-S285 PolarHBondContact O-N 2.81Å; G281-S285 PolarHBondContact O-OG 3.14Å; H282-S285 PolarHBondContact O-N 3.46Å; I283-S285 VanDerWaalsContact C-N 3.33Å; I283-S285 PolarHBondContact O-N 3.27Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-C289 CarbonylContact O-C 3.59Å; S285-C289 VanDerWaalsContact O-C 3.23Å; S285-C289 WeakPolarHBondContact O-CA 3.5Å; S285-C289 VanDerWaalsContact O-CB 3.29Å; S285-C289 WeakPolarHBondContact O-CB 3.27Å; S285-C289 PolarHBondContact O-N 3.5Å; S285-G296 WeakPolarHBondContact CB-O 3.46Å; S285-F298 PolarHBondContact OG-N 3.2Å
286	L	90.1	Very high	87.5	Confident	31 Å²	31	41.7 Å²	41.7	16%	0.162	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-35.3	171.4	-72.7	167.8	0	0	0	112	F202 Y206 H282 I283 Q284 S290 L295	F202-L286 HydrophobicContact CE1-CD1 3.88Å; F202-L286 HydrophobicContact CZ-CD1 3.81Å; Y206-L286 HydrophobicContact CD2-CB 4.36Å; Y206-L286 HydrophobicContact CE2-CB 3.7Å; Y206-L286 PolarHBondContact OH-O 2.89Å; H282-L286 WeakPolarHBondContact O-CG 3.32Å; H282-L286 PolarHBondContact O-N 2.99Å; I283-L286 WeakPolarHBondContact O-CB 3.43Å; I283-L286 PolarHBondContact O-N 3.13Å; Q284-L286 VanDerWaalsContact C-N 3.31Å; Q284-L286 PolarHBondContact O-N 2.81Å; L286-S290 WeakPolarHBondContact O-CB 2.92Å; L286-S290 PolarHBondContact O-OG 2Å; L286-L295 HydrophobicContact CD2-CD1 3.74Å; L286-L295 HydrophobicContact CG-CD1 4.17Å
287	L	88.8	Confident	87.4	Confident	20 Å²	20	43 Å²	43	11%	0.105	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-42.2	177.9	-69.2	171	0	0	0	112.7	Y206 L209 L215 I220 I283 Q284 S285 S316	Y206-L287 HydrophobicContact CD2-CD2 4.24Å; Y206-L287 HydrophobicContact CE2-CD2 3.56Å; Y206-L287 HydrophobicContact CE2-CG 3.96Å; L209-L287 HydrophobicContact CB-CD2 4.49Å; L209-L287 HydrophobicContact CD1-CD1 4.13Å; L209-L287 HydrophobicContact CD1-CD2 4.42Å; L215-L287 HydrophobicContact CD1-CD1 4.26Å; I220-L287 HydrophobicContact CD1-CD1 4.25Å; I283-L287 WeakPolarHBondContact O-CG 3.44Å; I283-L287 PolarHBondContact O-N 2.96Å; Q284-L287 PolarHBondContact O-N 3.41Å; S285-L287 VanDerWaalsContact C-N 3.34Å; L287-S316 PolarHBondContact O-OG 2.91Å
288	Y	89.1	Confident	87.4	Confident	10 Å²	10	40 Å²	40	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-114.5	-17.5	-166.8	-54.7	-49.1	0	0	0	115.1	F214 L215 Q284 F298 C305 S316 P318 P319	F214-Y288 HydrophobicContact CD2-CE1 4.34Å; F214-Y288 AromaticContact CD2-CE2 3.81Å; F214-Y288 HydrophobicContact CD2-CE2 3.81Å; F214-Y288 AromaticContact CD2-CZ 3.67Å; F214-Y288 HydrophobicContact CE2-CD2 4.08Å; F214-Y288 AromaticContact CE2-CE2 3.5Å; F214-Y288 HydrophobicContact CE2-CE2 3.5Å; F214-Y288 AromaticContact CE2-CZ 3.89Å; F214-Y288 HydrophobicContact CZ-CE2 4.44Å; L215-Y288 PolarHBondContact N-OH 3.46Å; Q284-Y288 HydrophobicContact CG-CD2 3.72Å; Q284-Y288 HydrophobicContact CG-CE2 3.81Å; Q284-Y288 WeakPolarHBondContact O-CD2 3.36Å; Q284-Y288 PolarHBondContact O-N 3.33Å; Y288-F298 HydrophobicContact CD2-CD1 4.2Å; Y288-F298 HydrophobicContact CD2-CD2 4.18Å; Y288-F298 HydrophobicContact CD2-CE1 4.01Å; Y288-F298 HydrophobicContact CD2-CE2 4.02Å; Y288-F298 HydrophobicContact CD2-CG 4.26Å; Y288-F298 AromaticContact CD2-CZ 3.92Å; Y288-F298 HydrophobicContact CD2-CZ 3.92Å; Y288-F298 HydrophobicContact CG-CD2 4.33Å; Y288-F298 HydrophobicContact CG-CE2 4.16Å; Y288-F298 HydrophobicContact CG-CZ 4.45Å; Y288-C305 PolarHBondContact O-SG 3.49Å; Y288-S316 WeakPolarHBondContact CA-OG 3.42Å; Y288-S316 PolarHBondContact O-N 3.17Å; Y288-S316 PolarHBondContact O-OG 3.08Å; Y288-S316 VanDerWaalsContact O-OG 3.13Å; Y288-P318 HydrophobicContact CD1-CB 4.34Å; Y288-P319 HydrophobicContact CE1-CG 4.25Å
289	C	88.7	Confident	87.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-127.7	33.7	-172.7	-52.8	0	0	0	0	113.1	S285 L295 G296 F298 C305 C314	S285-C289 CarbonylContact O-C 3.59Å; S285-C289 VanDerWaalsContact O-C 3.23Å; S285-C289 WeakPolarHBondContact O-CA 3.5Å; S285-C289 VanDerWaalsContact O-CB 3.29Å; S285-C289 WeakPolarHBondContact O-CB 3.27Å; S285-C289 PolarHBondContact O-N 3.5Å; C289-L295 WeakPolarHBondContact O-CA 3.29Å; C289-G296 PolarHBondContact O-N 3.44Å; C289-F298 WeakPolarHBondContact SG-CA 3.39Å; C289-F298 WeakPolarHBondContact SG-CB 3.44Å; C289-C305 WeakPolarHBondContact CA-SG 3.39Å; C289-C305 HydrophobicContact CB-CB 3.71Å; C289-C305 WeakPolarHBondContact CB-SG 3.45Å; C289-C305 WeakPolarHBondContact SG-CB 3.31Å; C289-C305 CovalentContact SG-SG 2.02Å; C289-C305 PolarHBondContact SG-SG 3.41Å; C289-C314 CarbonylContact C-O 3.27Å; C289-C314 WeakPolarHBondContact CA-O 2.84Å
290	S	86.8	Confident	86.8	Confident	47 Å²	47	40.9 Å²	40.9	33%	0.329	23%	0.227	S	C	.	.			trans	-113.9	14.6	-179	78.3	0	0	0	0	113.6	L286 Q294 C314	L286-S290 WeakPolarHBondContact O-CB 2.92Å; L286-S290 PolarHBondContact O-OG 2Å; S290-Q294 WeakPolarHBondContact CA-O 3.47Å; S290-C314 PolarHBondContact N-O 3.45Å
291	E	81.2	Confident	86.3	Confident	84 Å²	84	49.5 Å²	49.5	39%	0.393	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-67.8	148.6	-178.3	-154.1	169.7	-177.9	0	0	110.6	N293 Q294 C314 Q315 S316	E291-N293 VanDerWaalsContact C-N 3.29Å; E291-N293 PolarHBondContact O-N 3.45Å; E291-Q294 PolarHBondContact O-N 2.86Å; E291-C314 WeakPolarHBondContact CB-O 3.44Å; E291-C314 PolarHBondContact N-O 3.08Å; E291-Q315 VanDerWaalsContact OE2-C 3.3Å; E291-S316 WeakPolarHBondContact OE2-CA 3.11Å; E291-S316 PolarHBondContact OE2-N 3.07Å
292	N	75	Confident	85.9	Confident	97 Å²	97	54.3 Å²	54.3	52%	0.519	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	59.9	28.4	-179.3	-59.3	-50.2	0	0	0	115.7	Q294 S312 P313	N292-Q294 PolarHBondContact O-N 2.98Å; N292-Q294 VanDerWaalsContact O-N 3.16Å; N292-S312 PolarHBondContact ND2-OG 3.37Å; N292-P313 PolarHBondContact ND2-O 2.94Å
293	N	74.5	Confident	85.5	Confident	170 Å²	170	57.6 Å²	57.6	91%	0.909	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	57.7	21.4	-175.8	-74.8	-9.4	0	0	0	113.9	E291	E291-N293 VanDerWaalsContact C-N 3.29Å; E291-N293 PolarHBondContact O-N 3.45Å
294	Q	77.4	Confident	85.2	Confident	53 Å²	53	59.4 Å²	59.4	25%	0.248	31%	0.314	C	S	.	.			trans	-110.6	121.9	174.4	-63.5	-169.8	1.1	0	0	109.4	S290 E291 N292 C314	S290-Q294 WeakPolarHBondContact CA-O 3.47Å; E291-Q294 PolarHBondContact O-N 2.86Å; N292-Q294 PolarHBondContact O-N 2.98Å; N292-Q294 VanDerWaalsContact O-N 3.16Å; Q294-C314 HydrophobicContact CB-CB 4.27Å
295	L	83.1	Confident	85	Confident	67 Å²	67	60.1 Å²	60.1	35%	0.351	32%	0.319	S	S	.	.			trans	-86.1	114.9	174.5	-170.8	68.3	0	0	0	110.1	H282 L286 C289	H282-L295 VanDerWaalsContact CE1-CD2 3.48Å; H282-L295 WeakPolarHBondContact CE1-CD2 3.36Å; L286-L295 HydrophobicContact CD2-CD1 3.74Å; L286-L295 HydrophobicContact CG-CD1 4.17Å; C289-L295 WeakPolarHBondContact O-CA 3.29Å
296	G	86.7	Confident	84.9	Confident	5 Å²	5	63.4 Å²	63.4	5%	0.052	34%	0.343	C	S	.	.			trans	-91.6	-174	168.1	0	0	0	0	0	112.8	S285 C289 S306	S285-G296 WeakPolarHBondContact CB-O 3.46Å; C289-G296 PolarHBondContact O-N 3.44Å; G296-S306 VanDerWaalsContact CA-O 3.3Å; G296-S306 WeakPolarHBondContact CA-O 3.45Å
297	T	88.6	Confident	84.6	Confident	89 Å²	89	64 Å²	64	55%	0.546	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.2	169.9	-50.5	0	0	0	0	108.8	C305 S306	T297-C305 WeakPolarHBondContact O-CA 3.35Å; T297-S306 WeakPolarHBondContact CB-OG 3.14Å; T297-S306 PolarHBondContact N-O 2.73Å; T297-S306 PolarHBondContact O-N 2.71Å; T297-S306 PolarHBondContact O-OG 3.35Å
298	F	89.6	Confident	84	Confident	18 Å²	18	73.6 Å²	73.6	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.8	178.3	-170.6	-107.1	0	0	0	111.4	F214 Q284 S285 Y288 C289 E300	F214-F298 AromaticContact CE2-CE1 3.94Å; F214-F298 HydrophobicContact CE2-CE1 3.94Å; F214-F298 AromaticContact CE2-CZ 3.73Å; F214-F298 HydrophobicContact CE2-CZ 3.73Å; F214-F298 AromaticContact CZ-CE1 3.97Å; F214-F298 HydrophobicContact CZ-CE1 3.97Å; F214-F298 HydrophobicContact CZ-CZ 4.12Å; Q284-F298 VanDerWaalsContact CD-CD1 3.41Å; Q284-F298 HydrophobicContact CG-CB 4.48Å; Q284-F298 HydrophobicContact CG-CD1 3.61Å; Q284-F298 HydrophobicContact CG-CE1 4.13Å; Q284-F298 HydrophobicContact CG-CG 4.26Å; S285-F298 PolarHBondContact OG-N 3.2Å; Y288-F298 HydrophobicContact CD2-CD1 4.2Å; Y288-F298 HydrophobicContact CD2-CD2 4.18Å; Y288-F298 HydrophobicContact CD2-CE1 4.01Å; Y288-F298 HydrophobicContact CD2-CE2 4.02Å; Y288-F298 HydrophobicContact CD2-CG 4.26Å; Y288-F298 AromaticContact CD2-CZ 3.92Å; Y288-F298 HydrophobicContact CD2-CZ 3.92Å; Y288-F298 HydrophobicContact CG-CD2 4.33Å; Y288-F298 HydrophobicContact CG-CE2 4.16Å; Y288-F298 HydrophobicContact CG-CZ 4.45Å; C289-F298 WeakPolarHBondContact SG-CA 3.39Å; C289-F298 WeakPolarHBondContact SG-CB 3.44Å; F298-E300 HydrophobicContact CD1-CG 4.22Å; F298-E300 HydrophobicContact CE1-CB 4.49Å; F298-E300 HydrophobicContact CE1-CG 4.07Å
299	S	88.3	Confident	83.2	Confident	43 Å²	43	79.3 Å²	79.3	30%	0.301	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.4	168.4	177.5	0	0	0	0	109.5	H303 S304	S299-H303 WeakPolarHBondContact O-CA 3.33Å; S299-H303 PolarHBondContact O-N 3.32Å; S299-S304 PolarHBondContact N-O 3.07Å; S299-S304 PolarHBondContact O-N 3.19Å
300	E	84.6	Confident	81.9	Confident	68 Å²	68	88.3 Å²	88.3	32%	0.318	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-39.6	176.5	-65	-162.1	129.4	0	0	112.4	N216 V217 Q284 F298 L302 H303	N216-E300 VanDerWaalsContact CA-OE1 3.31Å; N216-E300 WeakPolarHBondContact CA-OE1 3.3Å; V217-E300 HydrophobicContact CG2-CG 4.39Å; V217-E300 VanDerWaalsContact CG2-OE1 3.25Å; V217-E300 WeakPolarHBondContact CG2-OE1 3.25Å; V217-E300 PolarHBondContact N-OE1 3.43Å; Q284-E300 PolarHBondContact NE2-OE1 3.21Å; Q284-E300 VanDerWaalsContact OE1-CG 3.25Å; Q284-E300 PolarHBondContact OE1-OE1 3.31Å; F298-E300 HydrophobicContact CD1-CG 4.22Å; F298-E300 HydrophobicContact CE1-CB 4.49Å; F298-E300 HydrophobicContact CE1-CG 4.07Å; E300-L302 VanDerWaalsContact C-N 3.28Å; E300-L302 PolarHBondContact O-N 3.47Å; E300-H303 PolarHBondContact O-CD2 3.09Å; E300-H303 PolarHBondContact O-N 3.18Å; E300-H303 PolarHBondContact O-NE2 3.34Å
301	E	83.6	Confident	80.7	Confident	185 Å²	185	95 Å²	95	86%	0.864	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.7	-176.3	-64.5	179.2	179.7	0	0	112.7
302	L	81.3	Confident	80	Confident	127 Å²	127	92.6 Å²	92.6	67%	0.665	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-5.5	-176.8	-61.6	175.8	0	0	0	112.7	E300 S304	E300-L302 VanDerWaalsContact C-N 3.28Å; E300-L302 PolarHBondContact O-N 3.47Å; L302-S304 WeakPolarHBondContact CB-OG 3.31Å; L302-S304 PolarHBondContact O-N 2.98Å
303	H	84.1	Confident	79.9	Confident	86 Å²	86	92.1 Å²	92.1	40%	0.398	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	41.1	-170.7	-73.2	-116.9	0	0	0	112.3	F214 S299 E300 Q315	F214-H303 AromaticContact CE1-CE1 3.77Å; F214-H303 AromaticContact CZ-CE1 3.76Å; S299-H303 WeakPolarHBondContact O-CA 3.33Å; S299-H303 PolarHBondContact O-N 3.32Å; E300-H303 PolarHBondContact O-CD2 3.09Å; E300-H303 PolarHBondContact O-N 3.18Å; E300-H303 PolarHBondContact O-NE2 3.34Å; H303-Q315 PolarHBondContact O-NE2 3.3Å
304	S	85.6	Confident	80.2	Confident	38 Å²	38	84 Å²	84	27%	0.266	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.8	-172.4	70.3	0	0	0	0	112.7	S299 L302	S299-S304 PolarHBondContact N-O 3.07Å; S299-S304 PolarHBondContact O-N 3.19Å; L302-S304 WeakPolarHBondContact CB-OG 3.31Å; L302-S304 PolarHBondContact O-N 2.98Å
305	C	88.1	Confident	80.5	Confident	18 Å²	18	84.7 Å²	84.7	12%	0.122	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.7	179.5	-60.7	0	0	0	0	111.5	Y288 C289 T297 Q315	Y288-C305 PolarHBondContact O-SG 3.49Å; C289-C305 WeakPolarHBondContact CA-SG 3.39Å; C289-C305 HydrophobicContact CB-CB 3.71Å; C289-C305 WeakPolarHBondContact CB-SG 3.45Å; C289-C305 WeakPolarHBondContact SG-CB 3.31Å; C289-C305 CovalentContact SG-SG 2.02Å; C289-C305 PolarHBondContact SG-SG 3.41Å; T297-C305 WeakPolarHBondContact O-CA 3.35Å; C305-Q315 HydrophobicContact CB-CB 3.87Å; C305-Q315 HydrophobicContact CB-CG 4.34Å
306	S	87.4	Confident	80.3	Confident	76 Å²	76	83 Å²	83	53%	0.531	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	107.2	163.5	63.5	0	0	0	0	109.8	G296 T297	G296-S306 VanDerWaalsContact CA-O 3.3Å; G296-S306 WeakPolarHBondContact CA-O 3.45Å; T297-S306 WeakPolarHBondContact CB-OG 3.14Å; T297-S306 PolarHBondContact N-O 2.73Å; T297-S306 PolarHBondContact O-N 2.71Å; T297-S306 PolarHBondContact O-OG 3.35Å
307	C	83.8	Confident	79.9	Confident	43 Å²	43	87 Å²	87	29%	0.291	45%	0.45	S	S	.	.			trans	-89.1	149.9	-180	-49.2	0	0	0	0	111.4	F309 C314	C307-F309 VanDerWaalsContact C-N 3.32Å; C307-F309 PolarHBondContact O-N 3.4Å; C307-C314 WeakPolarHBondContact CA-SG 3.38Å; C307-C314 HydrophobicContact CB-CB 3.9Å; C307-C314 WeakPolarHBondContact CB-SG 3.38Å; C307-C314 WeakPolarHBondContact SG-CB 3.32Å; C307-C314 PolarHBondContact SG-N 2.9Å; C307-C314 CovalentContact SG-SG 2.03Å; C307-C314 PolarHBondContact SG-SG 3.12Å
308	R	77.6	Confident	79.6	Confident	221 Å²	221	84.1 Å²	84.1	83%	0.834	43%	0.433	S	S	*	.	S	Bend	trans	-72.5	-23.8	177.9	-71	-174.2	-179.5	177.1	2.4	113.9
309	F	71.8	Confident	79.5	Confident	130 Å²	130	84.3 Å²	84.3	57%	0.57	44%	0.436	S	S	*	.			trans	-122.4	123.1	-179.3	-61.5	-78.3	0	0	0	109.2	C307 H311	C307-F309 VanDerWaalsContact C-N 3.32Å; C307-F309 PolarHBondContact O-N 3.4Å; F309-H311 PolarHBondContact O-N 2.92Å
310	E	61.5	Low	79.4	Confident	190 Å²	190	82.7 Å²	82.7	89%	0.888	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.3	-176.6	-70.6	-179.7	164.9	0	0	113.6
311	H	61.9	Low	79.5	Confident	187 Å²	187	82.3 Å²	82.3	87%	0.866	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.1	-170.6	-61	-49	0	0	0	115.2	F309	F309-H311 PolarHBondContact O-N 2.92Å
312	S	65	Low	79.6	Confident	33 Å²	33	76.7 Å²	76.7	23%	0.231	41%	0.408	C	S	.	.	S	Bend	trans	-134.8	121	175.6	-173.4	0	0	0	0	109.8	N292 C314	N292-S312 PolarHBondContact ND2-OG 3.37Å; S312-C314 PolarHBondContact O-N 3.29Å
313	P	73.6	Confident	79.7	Confident	88 Å²	88	72.2 Å²	72.2	57%	0.571	39%	0.392	S	S	*	.			trans	-66.2	123.6	174.9	27.1	-31.4	0	0	0	108.8	N292 Q315	N292-P313 PolarHBondContact ND2-O 2.94Å; P313-Q315 VanDerWaalsContact C-N 3.34Å
314	C	81.6	Confident	79.4	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.413	C	S	.	.			trans	-89.9	-5.4	170.2	69.9	0	0	0	0	112.1	C289 S290 E291 Q294 C307 S312	C289-C314 CarbonylContact C-O 3.27Å; C289-C314 WeakPolarHBondContact CA-O 2.84Å; S290-C314 PolarHBondContact N-O 3.45Å; E291-C314 WeakPolarHBondContact CB-O 3.44Å; E291-C314 PolarHBondContact N-O 3.08Å; Q294-C314 HydrophobicContact CB-CB 4.27Å; C307-C314 WeakPolarHBondContact CA-SG 3.38Å; C307-C314 HydrophobicContact CB-CB 3.9Å; C307-C314 WeakPolarHBondContact CB-SG 3.38Å; C307-C314 WeakPolarHBondContact SG-CB 3.32Å; C307-C314 PolarHBondContact SG-N 2.9Å; C307-C314 CovalentContact SG-SG 2.03Å; C307-C314 PolarHBondContact SG-SG 3.12Å; S312-C314 PolarHBondContact O-N 3.29Å
315	Q	82.6	Confident	79	Confident	67 Å²	67	76.3 Å²	76.3	31%	0.313	41%	0.414	S	S	.	.			trans	-85	114.2	-174.7	-179.1	167.7	-7.6	0	0	111.8	E291 H303 C305 P313	E291-Q315 VanDerWaalsContact OE2-C 3.3Å; H303-Q315 PolarHBondContact O-NE2 3.3Å; C305-Q315 HydrophobicContact CB-CB 3.87Å; C305-Q315 HydrophobicContact CB-CG 4.34Å; P313-Q315 VanDerWaalsContact C-N 3.34Å
316	S	79.4	Confident	78.3	Confident	30 Å²	30	79.4 Å²	79.4	21%	0.21	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-78.9	144	163.5	66.3	0	0	0	0	109.8	L287 Y288 E291 P318	L287-S316 PolarHBondContact O-OG 2.91Å; Y288-S316 WeakPolarHBondContact CA-OG 3.42Å; Y288-S316 PolarHBondContact O-N 3.17Å; Y288-S316 PolarHBondContact O-OG 3.08Å; Y288-S316 VanDerWaalsContact O-OG 3.13Å; E291-S316 WeakPolarHBondContact OE2-CA 3.11Å; E291-S316 PolarHBondContact OE2-N 3.07Å; S316-P318 WeakPolarHBondContact O-CD 3.35Å
317	P	78.4	Confident	78.1	Confident	90 Å²	90	76.7 Å²	76.7	58%	0.584	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-67	118.7	179.6	25.3	-31.3	0	0	0	109.6	T337	P317-T337 HydrophobicContact CB-CG2 3.84Å; P317-T337 HydrophobicContact CG-CG2 4.34Å
318	P	82.4	Confident	78.2	Confident	28 Å²	28	75 Å²	75	18%	0.182	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-67.9	143.7	-175.2	26.7	-33.1	0	0	0	110.5	F214 Y288 S316	F214-P318 HydrophobicContact CD2-CB 4.14Å; Y288-P318 HydrophobicContact CD1-CB 4.34Å; S316-P318 WeakPolarHBondContact O-CD 3.35Å
319	P	85.9	Confident	78.5	Confident	22 Å²	22	66.2 Å²	66.2	14%	0.143	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-66.6	172	174.9	27.4	-33.2	0	0	0	111.8	Y213 F214 Y288 H336	Y213-P319 VanDerWaalsContact C-CG 3.41Å; Y213-P319 WeakPolarHBondContact O-CG 3.3Å; F214-P319 HydrophobicContact CB-CG 4.39Å; F214-P319 WeakPolarHBondContact CB-O 3.01Å; Y288-P319 HydrophobicContact CE1-CG 4.25Å; P319-H336 CarbonylContact C-O 3.56Å; P319-H336 WeakPolarHBondContact CA-O 3.32Å; P319-H336 HydrophobicContact CB-CB 4.01Å
320	C	87	Confident	79.3	Confident	10 Å²	10	64.1 Å²	64.1	7%	0.068	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-69.4	148.6	-177	99.3	0	0	0	0	111.2	F214 C328 C331 H336	F214-C320 PolarHBondContact N-O 3.46Å; C320-C328 WeakPolarHBondContact SG-CB 3.4Å; C320-C328 PolarHBondContact SG-SG 3.32Å; C320-C331 HydrophobicContact CB-CB 3.97Å; C320-C331 WeakPolarHBondContact CB-SG 3.33Å; C320-C331 PolarHBondContact O-SG 2.9Å; C320-C331 WeakPolarHBondContact SG-CA 3.26Å; C320-C331 WeakPolarHBondContact SG-CB 3.35Å; C320-C331 CovalentContact SG-SG 2.02Å; C320-C331 PolarHBondContact SG-SG 3.36Å; C320-H336 WeakPolarHBondContact CB-O 3.45Å; C320-H336 PolarHBondContact N-O 3.37Å
321	S	86.9	Confident	80.6	Confident	60 Å²	60	55.7 Å²	55.7	42%	0.42	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-83.7	120.3	175.6	57.1	0	0	0	0	110.7	C328	S321-C328 WeakPolarHBondContact O-CB 3.34Å; S321-C328 PolarHBondContact O-N 2.98Å
322	V	86.1	Confident	81.8	Confident	67 Å²	67	47.6 Å²	47.6	41%	0.406	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-97.2	135.8	175.3	176.4	0	0	0	0	109.9	Y213 C328 A329	Y213-V322 HydrophobicContact CG-CG2 4.34Å; V322-C328 VanDerWaalsContact CA-O 3.25Å; V322-C328 WeakPolarHBondContact CA-O 3.02Å; V322-C328 WeakPolarHBondContact CG1-O 3.35Å; V322-C328 HydrophobicContact CG2-CB 4.36Å; V322-A329 WeakPolarHBondContact CG1-O 3.42Å
323	G	83	Confident	82.6	Confident	32 Å²	32	51.1 Å²	51.1	33%	0.33	33%	0.329	S	S	.	.	S	Bend	trans	170.8	-163	-176.8	0	0	0	0	0	112	C328 N343	G323-C328 PolarHBondContact N-O 3.33Å; G323-C328 VanDerWaalsContact N-O 3.17Å; G323-N343 PolarHBondContact O-ND2 2.89Å
324	E	78	Confident	83	Confident	183 Å²	183	54.7 Å²	54.7	86%	0.855	34%	0.343	S	S	*	.	S	Bend	trans	-89.5	162.6	178.4	-62.6	-170.7	169.6	0	0	113	S326 A327	E324-S326 PolarHBondContact O-N 3.11Å; E324-A327 PolarHBondContact O-N 3.17Å
325	G	75.9	Confident	83.1	Confident	28 Å²	28	57.9 Å²	57.9	29%	0.289	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	-126.5	177.4	0	0	0	0	0	112.9	A327 N343 F346	G325-A327 PolarHBondContact O-N 2.89Å; G325-N343 PolarHBondContact N-ND2 2.98Å; G325-N343 PolarHBondContact O-ND2 3.45Å; G325-N343 VanDerWaalsContact O-ND2 3.08Å; G325-F346 VanDerWaalsContact C-CE2 3.44Å; G325-F346 VanDerWaalsContact C-CZ 3.46Å; G325-F346 WeakPolarHBondContact O-CD2 3.47Å; G325-F346 WeakPolarHBondContact O-CE2 3.33Å
326	S	74.9	Confident	83.2	Confident	83 Å²	83	58.7 Å²	58.7	58%	0.58	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.1	-179.2	60.7	0	0	0	0	114.3	E324 C353	E324-S326 PolarHBondContact O-N 3.11Å; S326-C353 WeakPolarHBondContact O-CB 3.39Å
327	A	81.5	Confident	83.4	Confident	18 Å²	18	60 Å²	60	15%	0.149	37%	0.371	C	S	.	.	S	Bend	trans	-70.9	163.9	170.1	0	0	0	0	0	111	E324 G325 N343	E324-A327 PolarHBondContact O-N 3.17Å; G325-A327 PolarHBondContact O-N 2.89Å; A327-N343 PolarHBondContact O-ND2 3.41Å
328	C	86.2	Confident	83.8	Confident	9 Å²	9	62.8 Å²	62.8	6%	0.061	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	143.9	178.6	-64.7	0	0	0	0	111.3	C320 S321 V322 G323 C339	C320-C328 WeakPolarHBondContact SG-CB 3.4Å; C320-C328 PolarHBondContact SG-SG 3.32Å; S321-C328 WeakPolarHBondContact O-CB 3.34Å; S321-C328 PolarHBondContact O-N 2.98Å; V322-C328 VanDerWaalsContact CA-O 3.25Å; V322-C328 WeakPolarHBondContact CA-O 3.02Å; V322-C328 WeakPolarHBondContact CG1-O 3.35Å; V322-C328 HydrophobicContact CG2-CB 4.36Å; G323-C328 PolarHBondContact N-O 3.33Å; G323-C328 VanDerWaalsContact N-O 3.17Å; C328-C339 WeakPolarHBondContact CA-SG 3.37Å; C328-C339 HydrophobicContact CB-CB 4.21Å; C328-C339 WeakPolarHBondContact CB-SG 3.49Å; C328-C339 WeakPolarHBondContact SG-CA 3.34Å; C328-C339 WeakPolarHBondContact SG-CB 3.4Å; C328-C339 CovalentContact SG-SG 2Å; C328-C339 PolarHBondContact SG-SG 3.22Å
329	A	85.6	Confident	84	Confident	35 Å²	35	61.7 Å²	61.7	29%	0.289	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-44.9	164.8	0	0	0	0	0	109.8	V322 S341	V322-A329 WeakPolarHBondContact CG1-O 3.42Å; A329-S341 PolarHBondContact N-O 3.28Å
330	V	87.1	Confident	83.9	Confident	87 Å²	87	62.4 Å²	62.4	53%	0.527	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.2	176.3	-172.6	0	0	0	0	109.7	G340 S341	V330-G340 WeakPolarHBondContact O-CA 3.3Å; V330-G340 PolarHBondContact O-N 3.38Å; V330-S341 WeakPolarHBondContact CB-OG 3.34Å; V330-S341 PolarHBondContact N-O 3.41Å; V330-S341 PolarHBondContact N-OG 2.02Å; V330-S341 PolarHBondContact O-N 2.85Å; V330-S341 VanDerWaalsContact O-N 3.09Å
331	C	89	Confident	83.8	Confident	12 Å²	12	64.2 Å²	64.2	8%	0.081	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	150	171.6	-56.4	0	0	0	0	111.7	S212 C320	S212-C331 WeakPolarHBondContact O-CB 3.39Å; S212-C331 PolarHBondContact O-SG 2.71Å; C320-C331 HydrophobicContact CB-CB 3.97Å; C320-C331 WeakPolarHBondContact CB-SG 3.33Å; C320-C331 PolarHBondContact O-SG 2.9Å; C320-C331 WeakPolarHBondContact SG-CA 3.26Å; C320-C331 WeakPolarHBondContact SG-CB 3.35Å; C320-C331 CovalentContact SG-SG 2.02Å; C320-C331 PolarHBondContact SG-SG 3.36Å
332	A	87	Confident	83.8	Confident	17 Å²	17	62.7 Å²	62.7	14%	0.14	38%	0.375	C	S	.	.			trans	-67.5	133.8	179.3	0	0	0	0	0	110.7	D334 N335 H336 R338	A332-D334 VanDerWaalsContact C-N 3.3Å; A332-D334 PolarHBondContact O-N 2.96Å; A332-N335 CarbonylContact O-C 3.58Å; A332-N335 VanDerWaalsContact O-C 3.27Å; A332-N335 PolarHBondContact O-N 3.4Å; A332-H336 PolarHBondContact O-CD2 3.07Å; A332-H336 VanDerWaalsContact O-CD2 3.28Å; A332-H336 PolarHBondContact O-N 3.3Å; A332-R338 HydrophobicContact CB-CB 4.47Å; A332-R338 PolarHBondContact N-O 3.35Å
333	P	82.3	Confident	83.5	Confident	108 Å²	108	61 Å²	61	70%	0.701	36%	0.364	S	S	*	.	S	Bend	trans	-67.8	-29.6	-177.9	27.2	-34.4	0	0	0	112.8
334	D	82.8	Confident	83.1	Confident	163 Å²	163	63 Å²	63	87%	0.872	37%	0.371	S	S	*	.	S	Bend	trans	-79.5	-27.6	-179.1	-59.2	-34.1	0	0	0	112.8	A332	A332-D334 VanDerWaalsContact C-N 3.3Å; A332-D334 PolarHBondContact O-N 2.96Å
335	N	83.5	Confident	82.7	Confident	67 Å²	67	54.6 Å²	54.6	36%	0.358	33%	0.333	S	S	.	.			trans	-152.7	97.2	178.8	-173.9	-8.9	0	0	0	109.8	A332 T337 R338	A332-N335 CarbonylContact O-C 3.58Å; A332-N335 VanDerWaalsContact O-C 3.27Å; A332-N335 PolarHBondContact O-N 3.4Å; N335-T337 VanDerWaalsContact CG-OG1 3.23Å; N335-T337 PolarHBondContact ND2-OG1 2.96Å; N335-T337 PolarHBondContact O-N 3.5Å; N335-T337 WeakPolarHBondContact OD1-CB 3.48Å; N335-T337 WeakPolarHBondContact OD1-CG2 3.37Å; N335-T337 PolarHBondContact OD1-N 3.43Å; N335-T337 PolarHBondContact OD1-OG1 2.93Å; N335-R338 PolarHBondContact O-N 3.22Å
336	H	83.6	Confident	82.7	Confident	83 Å²	83	54.5 Å²	54.5	38%	0.384	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.6	-176.3	-61.9	139.8	0	0	0	114	P319 C320 A332 R338	P319-H336 CarbonylContact C-O 3.56Å; P319-H336 WeakPolarHBondContact CA-O 3.32Å; P319-H336 HydrophobicContact CB-CB 4.01Å; C320-H336 WeakPolarHBondContact CB-O 3.45Å; C320-H336 PolarHBondContact N-O 3.37Å; A332-H336 PolarHBondContact O-CD2 3.07Å; A332-H336 VanDerWaalsContact O-CD2 3.28Å; A332-H336 PolarHBondContact O-N 3.3Å; H336-R338 PolarHBondContact O-N 2.59Å
337	T	84.6	Confident	82.7	Confident	59 Å²	59	52.4 Å²	52.4	36%	0.362	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.2	174.6	66.8	0	0	0	0	113.1	P317 N335	P317-T337 HydrophobicContact CB-CG2 3.84Å; P317-T337 HydrophobicContact CG-CG2 4.34Å; N335-T337 VanDerWaalsContact CG-OG1 3.23Å; N335-T337 PolarHBondContact ND2-OG1 2.96Å; N335-T337 PolarHBondContact O-N 3.5Å; N335-T337 WeakPolarHBondContact OD1-CB 3.48Å; N335-T337 WeakPolarHBondContact OD1-CG2 3.37Å; N335-T337 PolarHBondContact OD1-N 3.43Å; N335-T337 PolarHBondContact OD1-OG1 2.93Å
338	R	85.9	Confident	82.7	Confident	148 Å²	148	55.4 Å²	55.4	56%	0.558	33%	0.326	S	S	*	.	S	Bend	trans	-108.3	149.6	-178.1	-63.9	-176.9	-179.4	-178.7	-0.3	111.2	A332 N335 H336	A332-R338 HydrophobicContact CB-CB 4.47Å; A332-R338 PolarHBondContact N-O 3.35Å; N335-R338 PolarHBondContact O-N 3.22Å; H336-R338 PolarHBondContact O-N 2.59Å
339	C	87.6	Confident	82.2	Confident	5 Å²	5	60 Å²	60	3%	0.034	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.4	171	-144	0	0	0	0	110.5	C328 L348 G351 C353	C328-C339 WeakPolarHBondContact CA-SG 3.37Å; C328-C339 HydrophobicContact CB-CB 4.21Å; C328-C339 WeakPolarHBondContact CB-SG 3.49Å; C328-C339 WeakPolarHBondContact SG-CA 3.34Å; C328-C339 WeakPolarHBondContact SG-CB 3.4Å; C328-C339 CovalentContact SG-SG 2Å; C328-C339 PolarHBondContact SG-SG 3.22Å; C339-L348 HydrophobicContact CB-CD1 3.63Å; C339-L348 VanDerWaalsContact O-CD1 3.29Å; C339-L348 WeakPolarHBondContact O-CD1 3.42Å; C339-G351 WeakPolarHBondContact CB-O 3.48Å; C339-G351 PolarHBondContact N-O 2.7Å; C339-C353 PolarHBondContact SG-SG 3.28Å
340	G	84.5	Confident	81.8	Confident	36 Å²	36	67.3 Å²	67.3	37%	0.371	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-36.2	176.4	0	0	0	0	0	112.6	V330	V330-G340 WeakPolarHBondContact O-CA 3.3Å; V330-G340 PolarHBondContact O-N 3.38Å
341	S	84.4	Confident	81.4	Confident	49 Å²	49	64.1 Å²	64.1	34%	0.343	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.9	174.8	59.4	0	0	0	0	111.3	A329 V330	A329-S341 PolarHBondContact N-O 3.28Å; V330-S341 WeakPolarHBondContact CB-OG 3.34Å; V330-S341 PolarHBondContact N-O 3.41Å; V330-S341 PolarHBondContact N-OG 2.02Å; V330-S341 PolarHBondContact O-N 2.85Å; V330-S341 VanDerWaalsContact O-N 3.09Å
342	C	85.4	Confident	81	Confident	28 Å²	28	65.9 Å²	65.9	19%	0.189	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	155.8	-177.1	-66.7	0	0	0	0	112.2	F346 C353	C342-F346 HydrophobicContact CB-CB 3.99Å; C342-F346 WeakPolarHBondContact CB-O 3.42Å; C342-C353 WeakPolarHBondContact CA-SG 3.3Å; C342-C353 HydrophobicContact CB-CB 3.85Å; C342-C353 WeakPolarHBondContact CB-SG 3.44Å; C342-C353 WeakPolarHBondContact SG-CA 3.49Å; C342-C353 WeakPolarHBondContact SG-CB 3.44Å; C342-C353 CovalentContact SG-SG 2.02Å; C342-C353 PolarHBondContact SG-SG 3.39Å
343	N	81.8	Confident	80.8	Confident	32 Å²	32	65.6 Å²	65.6	17%	0.171	37%	0.373	C	S	.	.			trans	-65.1	157.1	171.8	-66.1	-46.5	0	0	0	111.2	G323 G325 A327 G345 F346	G323-N343 PolarHBondContact O-ND2 2.89Å; G325-N343 PolarHBondContact N-ND2 2.98Å; G325-N343 PolarHBondContact O-ND2 3.45Å; G325-N343 VanDerWaalsContact O-ND2 3.08Å; A327-N343 PolarHBondContact O-ND2 3.41Å; N343-G345 PolarHBondContact O-N 3.3Å; N343-F346 HydrophobicContact CB-CD2 4.49Å; N343-F346 WeakPolarHBondContact O-CB 3.28Å; N343-F346 PolarHBondContact O-N 2.91Å
344	P	73.6	Confident	80.6	Confident	74 Å²	74	67.2 Å²	67.2	48%	0.481	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	136.1	175.4	-26.1	34.4	0	0	0	112.3	F346	P344-F346 VanDerWaalsContact C-N 3.31Å
345	G	69.2	Low	80.1	Confident	6 Å²	6	63.5 Å²	63.5	6%	0.062	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	1.9	-175.5	0	0	0	0	0	114.9	N343 M356	N343-G345 PolarHBondContact O-N 3.3Å; G345-M356 WeakPolarHBondContact O-CB 3.5Å; G345-M356 PolarHBondContact O-N 3.16Å
346	F	75.7	Confident	79.4	Confident	26 Å²	26	62.1 Å²	62.1	11%	0.114	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.7	174.2	-64.9	-101.6	0	0	0	110.9	G325 C342 N343 P344 C353 R354 P355 P632	G325-F346 VanDerWaalsContact C-CE2 3.44Å; G325-F346 VanDerWaalsContact C-CZ 3.46Å; G325-F346 WeakPolarHBondContact O-CD2 3.47Å; G325-F346 WeakPolarHBondContact O-CE2 3.33Å; C342-F346 HydrophobicContact CB-CB 3.99Å; C342-F346 WeakPolarHBondContact CB-O 3.42Å; N343-F346 HydrophobicContact CB-CD2 4.49Å; N343-F346 WeakPolarHBondContact O-CB 3.28Å; N343-F346 PolarHBondContact O-N 2.91Å; P344-F346 VanDerWaalsContact C-N 3.31Å; F346-C353 HydrophobicContact CB-CB 4.08Å; F346-R354 CarbonylContact C-O 3.49Å; F346-R354 WeakPolarHBondContact CA-O 3.47Å; F346-R354 WeakPolarHBondContact CB-O 3.43Å; F346-R354 VanDerWaalsContact CD1-C 3.5Å; F346-P355 HydrophobicContact CD1-CB 4.49Å; F346-P355 HydrophobicContact CD1-CG 4.25Å; F346-P355 HydrophobicContact CE1-CB 4.33Å; F346-P355 HydrophobicContact CE1-CG 3.85Å; F346-P632 HydrophobicContact CE2-CG 4.23Å; F346-P632 HydrophobicContact CZ-CG 4.22Å
347	A	76.6	Confident	78.4	Confident	38 Å²	38	64.1 Å²	64.1	31%	0.314	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.7	176.8	0	0	0	0	0	111	M349 R354 M356	A347-M349 PolarHBondContact O-N 3.24Å; A347-R354 PolarHBondContact N-O 3.17Å; A347-R354 PolarHBondContact O-N 3.22Å; A347-M356 HydrophobicContact CB-CG 3.65Å
348	L	80.8	Confident	77.2	Confident	81 Å²	81	62.6 Å²	62.6	42%	0.424	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.9	177.3	-175	69.6	0	0	0	110	C339	C339-L348 HydrophobicContact CB-CD1 3.63Å; C339-L348 VanDerWaalsContact O-CD1 3.29Å; C339-L348 WeakPolarHBondContact O-CD1 3.42Å
349	M	76.5	Confident	76.1	Confident	105 Å²	105	60.9 Å²	60.9	52%	0.517	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.1	177.6	-67.4	-66.9	-80.8	0	0	109	A347 G351 A352 R354	A347-M349 PolarHBondContact O-N 3.24Å; M349-G351 PolarHBondContact O-N 2.92Å; M349-G351 VanDerWaalsContact O-N 3.17Å; M349-A352 PolarHBondContact N-O 3.34Å; M349-A352 PolarHBondContact O-N 2.92Å; M349-A352 VanDerWaalsContact O-N 3.08Å; M349-A352 VanDerWaalsContact O-O 3.08Å; M349-R354 HydrophobicContact CB-CG 4.4Å
350	Q	76.7	Confident	75.1	Confident	189 Å²	189	64 Å²	64	88%	0.883	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	33.8	178.7	-59.3	178.7	-9.5	0	0	114.3
351	G	77.7	Confident	74.5	Confident	21 Å²	21	62.4 Å²	62.4	22%	0.216	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	10.6	179.1	0	0	0	0	0	115	C339 M349	C339-G351 WeakPolarHBondContact CB-O 3.48Å; C339-G351 PolarHBondContact N-O 2.7Å; M349-G351 PolarHBondContact O-N 2.92Å; M349-G351 VanDerWaalsContact O-N 3.17Å
352	A	81.1	Confident	73.8	Confident	48 Å²	48	64.5 Å²	64.5	40%	0.397	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.4	172.2	0	0	0	0	0	111	M349	M349-A352 PolarHBondContact N-O 3.34Å; M349-A352 PolarHBondContact O-N 2.92Å; M349-A352 VanDerWaalsContact O-N 3.08Å; M349-A352 VanDerWaalsContact O-O 3.08Å
353	C	83.1	Confident	73.2	Confident	12 Å²	12	68.7 Å²	68.7	8%	0.081	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.7	175.7	-64.6	0	0	0	0	110.9	S326 C339 C342 F346	S326-C353 WeakPolarHBondContact O-CB 3.39Å; C339-C353 PolarHBondContact SG-SG 3.28Å; C342-C353 WeakPolarHBondContact CA-SG 3.3Å; C342-C353 HydrophobicContact CB-CB 3.85Å; C342-C353 WeakPolarHBondContact CB-SG 3.44Å; C342-C353 WeakPolarHBondContact SG-CA 3.49Å; C342-C353 WeakPolarHBondContact SG-CB 3.44Å; C342-C353 CovalentContact SG-SG 2.02Å; C342-C353 PolarHBondContact SG-SG 3.39Å; F346-C353 HydrophobicContact CB-CB 4.08Å
354	R	78.8	Confident	72.9	Confident	142 Å²	142	68.8 Å²	68.8	54%	0.536	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.4	174.3	-67.1	-170.9	178.1	-177.2	0.8	110.1	F346 A347 M349 M356	F346-R354 CarbonylContact C-O 3.49Å; F346-R354 WeakPolarHBondContact CA-O 3.47Å; F346-R354 WeakPolarHBondContact CB-O 3.43Å; F346-R354 VanDerWaalsContact CD1-C 3.5Å; A347-R354 PolarHBondContact N-O 3.17Å; A347-R354 PolarHBondContact O-N 3.22Å; M349-R354 HydrophobicContact CB-CG 4.4Å; R354-M356 PolarHBondContact O-N 2.91Å
355	P	71.6	Confident	72.9	Confident	85 Å²	85	65.4 Å²	65.4	55%	0.552	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	133.7	176.1	-22	31.2	0	0	0	110.3	F346 V357	F346-P355 HydrophobicContact CD1-CB 4.49Å; F346-P355 HydrophobicContact CD1-CG 4.25Å; F346-P355 HydrophobicContact CE1-CB 4.33Å; F346-P355 HydrophobicContact CE1-CG 3.85Å; P355-V357 PolarHBondContact O-N 3.45Å
356	M	67.6	Low	73	Confident	37 Å²	37	66.1 Å²	66.1	18%	0.182	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-66.2	117.4	171.7	-78.6	174.2	50.9	0	0	108.6	G345 A347 R354 D575 T576 L579	G345-M356 WeakPolarHBondContact O-CB 3.5Å; G345-M356 PolarHBondContact O-N 3.16Å; A347-M356 HydrophobicContact CB-CG 3.65Å; R354-M356 PolarHBondContact O-N 2.91Å; M356-D575 HydrophobicContact CE-CB 3.63Å; M356-D575 HydrophobicContact SD-CB 4.45Å; M356-T576 HydrophobicContact CE-CG2 3.84Å; M356-L579 HydrophobicContact CB-CD1 3.5Å; M356-L579 HydrophobicContact CE-CD1 3.42Å; M356-L579 VanDerWaalsContact CE-CD1 3.42Å
357	V	63.6	Low	72.5	Confident	126 Å²	126	66.5 Å²	66.5	76%	0.764	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-98.3	132.8	170.2	-175.4	0	0	0	0	106.6	P355	P355-V357 PolarHBondContact O-N 3.45Å
358	A	59.7	Low	71.6	Confident	26 Å²	26	72 Å²	72	22%	0.215	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-63.8	139.2	174.1	0	0	0	0	0	110	L579 Q580 E583	A358-L579 HydrophobicContact CB-CB 4.2Å; A358-Q580 HydrophobicContact CB-CG 4.36Å; A358-E583 WeakPolarHBondContact CB-OE2 3.43Å
359	D	63.5	Low	70.5	Confident	112 Å²	112	70.9 Å²	70.9	60%	0.599	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-63.8	154.6	169.9	-68.2	-39.9	0	0	0	110.3	T361	D359-T361 PolarHBondContact O-N 3.48Å
360	S	65.4	Low	69.4	Low	72 Å²	72	73.7 Å²	73.7	50%	0.503	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-49.6	121.1	-175.9	59.7	0	0	0	0	112.8	E362	S360-E362 PolarHBondContact O-N 3Å
361	T	71.8	Confident	68.8	Low	1 Å²	1	66.8 Å²	66.8	1%	0.006	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-79.4	8	-179.4	51.3	0	0	0	0	114.9	D359 N363 Y364 L365 E583 I584 R587	D359-T361 PolarHBondContact O-N 3.48Å; T361-N363 VanDerWaalsContact C-N 3.26Å; T361-N363 PolarHBondContact O-N 3.24Å; T361-Y364 HydrophobicContact CG2-CD2 4.48Å; T361-Y364 PolarHBondContact O-N 3.35Å; T361-L365 PolarHBondContact O-N 3.43Å; T361-E583 HydrophobicContact CG2-CB 4.02Å; T361-E583 HydrophobicContact CG2-CG 4.03Å; T361-E583 WeakPolarHBondContact CG2-OE1 3.28Å; T361-E583 WeakPolarHBondContact CG2-OE2 3.49Å; T361-E583 PolarHBondContact OG1-OE1 3.17Å; T361-I584 HydrophobicContact CG2-CG1 3.94Å; T361-R587 PolarHBondContact OG1-NH1 3.09Å
362	E	69.1	Low	68.4	Low	93 Å²	93	73.1 Å²	73.1	44%	0.435	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-61.6	-30.9	-177.4	-70.4	176.4	-174.8	0	0	113.7	S360 Y364	S360-E362 PolarHBondContact O-N 3Å; E362-Y364 PolarHBondContact O-N 3.17Å
363	N	73.6	Confident	68.1	Low	117 Å²	117	76.2 Å²	76.2	63%	0.626	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-65.8	-20.5	176.5	-64.7	-26.9	0	0	0	112.8	T361	T361-N363 VanDerWaalsContact C-N 3.26Å; T361-N363 PolarHBondContact O-N 3.24Å
364	Y	75	Confident	67.7	Low	34 Å²	34	83.1 Å²	83.1	13%	0.133	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-45.9	-178.7	-53.7	-74.7	0	0	0	112.2	T361 E362 D554 A557 I558 L561 I584	T361-Y364 HydrophobicContact CG2-CD2 4.48Å; T361-Y364 PolarHBondContact O-N 3.35Å; E362-Y364 PolarHBondContact O-N 3.17Å; Y364-D554 PolarHBondContact O-N 3.09Å; Y364-A557 HydrophobicContact CD1-CB 3.63Å; Y364-A557 HydrophobicContact CE1-CB 3.76Å; Y364-A557 WeakPolarHBondContact CE1-O 3.29Å; Y364-I558 HydrophobicContact CD1-CG1 3.91Å; Y364-I558 HydrophobicContact CG-CG1 4.29Å; Y364-L561 HydrophobicContact CD1-CD1 3.71Å; Y364-L561 HydrophobicContact CD1-CG 4.36Å; Y364-L561 HydrophobicContact CD2-CD1 4.2Å; Y364-L561 HydrophobicContact CE1-CD1 3.3Å; Y364-L561 HydrophobicContact CE1-CD2 4.26Å; Y364-L561 HydrophobicContact CE1-CG 3.57Å; Y364-L561 HydrophobicContact CE2-CD1 3.86Å; Y364-L561 HydrophobicContact CG-CD1 4.15Å; Y364-L561 VanDerWaalsContact CZ-CD1 3.41Å; Y364-L561 WeakPolarHBondContact OH-CD2 3.4Å; Y364-I584 HydrophobicContact CD2-CD1 4.08Å; Y364-I584 HydrophobicContact CG-CD1 3.96Å
365	L	74.8	Confident	67.8	Low	2 Å²	2	81.2 Å²	81.2	1%	0.01	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-143.7	116.2	176.3	-155.7	87.2	0	0	0	110.7	T361 F367 F500 H552 F553 V588	T361-L365 PolarHBondContact O-N 3.43Å; L365-F367 HydrophobicContact CB-CD2 4.29Å; L365-F367 HydrophobicContact CB-CE2 3.79Å; L365-F367 HydrophobicContact CB-CZ 4.33Å; L365-F367 HydrophobicContact CD2-CD1 4.19Å; L365-F367 HydrophobicContact CD2-CD2 4.13Å; L365-F367 HydrophobicContact CD2-CE1 3.52Å; L365-F367 HydrophobicContact CD2-CE2 3.47Å; L365-F367 VanDerWaalsContact CD2-CE2 3.47Å; L365-F367 HydrophobicContact CD2-CG 4.49Å; L365-F367 HydrophobicContact CD2-CZ 3.13Å; L365-F367 HydrophobicContact CG-CE2 4.08Å; L365-F367 HydrophobicContact CG-CZ 4.22Å; L365-F367 WeakPolarHBondContact O-CD2 3.43Å; L365-F367 PolarHBondContact O-N 3.08Å; L365-F500 HydrophobicContact CD2-CZ 4.43Å; L365-H552 WeakPolarHBondContact CA-O 3.28Å; L365-F553 HydrophobicContact CD1-CB 3.89Å; L365-F553 HydrophobicContact CD1-CD2 3.53Å; L365-F553 HydrophobicContact CD1-CG 4.17Å; L365-V588 HydrophobicContact CD2-CG2 4.22Å
366	G	70.5	Confident	68.2	Low	22 Å²	22	77.3 Å²	77.3	23%	0.227	41%	0.413	C	S	.	.			trans	-81.4	104.9	178.9	0	0	0	0	0	111.7	M551 H552	G366-M551 VanDerWaalsContact O-CB 3.25Å; G366-M551 WeakPolarHBondContact O-CB 3.4Å; G366-M551 WeakPolarHBondContact O-CG 3.49Å; G366-H552 PolarHBondContact N-O 3.26Å
367	F	66	Low	68.7	Low	34 Å²	34	77.4 Å²	77.4	15%	0.149	42%	0.423	C	S	.	.			trans	-94.7	-0.9	176.9	-63.1	-95.7	0	0	0	114	L365 T369 M551 R587 V588 L591	L365-F367 HydrophobicContact CB-CD2 4.29Å; L365-F367 HydrophobicContact CB-CE2 3.79Å; L365-F367 HydrophobicContact CB-CZ 4.33Å; L365-F367 HydrophobicContact CD2-CD1 4.19Å; L365-F367 HydrophobicContact CD2-CD2 4.13Å; L365-F367 HydrophobicContact CD2-CE1 3.52Å; L365-F367 HydrophobicContact CD2-CE2 3.47Å; L365-F367 VanDerWaalsContact CD2-CE2 3.47Å; L365-F367 HydrophobicContact CD2-CG 4.49Å; L365-F367 HydrophobicContact CD2-CZ 3.13Å; L365-F367 HydrophobicContact CG-CE2 4.08Å; L365-F367 HydrophobicContact CG-CZ 4.22Å; L365-F367 WeakPolarHBondContact O-CD2 3.43Å; L365-F367 PolarHBondContact O-N 3.08Å; F367-T369 PolarHBondContact O-N 2.81Å; F367-M551 HydrophobicContact CD1-SD 4.33Å; F367-R587 HydrophobicContact CE1-CB 4.03Å; F367-R587 HydrophobicContact CE2-CB 3.68Å; F367-R587 HydrophobicContact CE2-CG 4.33Å; F367-R587 VanDerWaalsContact CE2-NE 3.29Å; F367-R587 HydrophobicContact CZ-CB 3.34Å; F367-R587 HydrophobicContact CZ-CG 4.43Å; F367-V588 HydrophobicContact CZ-CG2 4.22Å; F367-L591 HydrophobicContact CD1-CD1 3.88Å; F367-L591 HydrophobicContact CE1-CD1 3.65Å
368	E	56.5	Low	69.6	Low	153 Å²	153	77 Å²	77	72%	0.715	41%	0.408	S	S	*	.			trans	-65.2	104.5	-178.1	-72.6	-161.1	142	0	0	111.4
369	T	58.3	Low	70.7	Confident	57 Å²	57	76.6 Å²	76.6	35%	0.35	40%	0.403	S	S	.	.			trans	-145.2	96.4	158.4	38.4	0	0	0	0	108.6	F367 L371 Y549	F367-T369 PolarHBondContact O-N 2.81Å; T369-L371 PolarHBondContact O-N 3.37Å; T369-Y549 HydrophobicContact CG2-CD2 3.85Å; T369-Y549 HydrophobicContact CG2-CE2 4.14Å; T369-Y549 HydrophobicContact CG2-CG 4.19Å; T369-Y549 WeakPolarHBondContact OG1-CE2 3.14Å
370	D	53.4	Low	71.6	Confident	165 Å²	165	72 Å²	72	88%	0.882	38%	0.378	S	S	*	.			trans	-75.3	52.6	174.1	-81.1	-19	0	0	0	111.8	Q372	D370-Q372 PolarHBondContact O-N 3.25Å
371	L	63.1	Low	72.3	Confident	44 Å²	44	76.4 Å²	76.4	23%	0.23	39%	0.39	C	S	.	.			trans	-90.4	103.9	170.3	-79	163.9	0	0	0	108.8	T369 E375 L376 L379 L387 N495	T369-L371 PolarHBondContact O-N 3.37Å; L371-E375 HydrophobicContact CD2-CG 4.23Å; L371-L376 HydrophobicContact CD1-CD1 4.48Å; L371-L379 HydrophobicContact CD2-CD1 4.26Å; L371-L387 HydrophobicContact CD1-CD2 4.3Å; L371-N495 PolarHBondContact O-ND2 2.74Å; L371-N495 VanDerWaalsContact O-ND2 3.16Å
372	Q	71.1	Confident	72.8	Confident	153 Å²	153	84.3 Å²	84.3	72%	0.715	42%	0.42	S	S	*	.			trans	-59.2	143.5	172.8	-65.7	-176.7	10.2	0	0	110.2	D370 L374 E375 L376	D370-Q372 PolarHBondContact O-N 3.25Å; Q372-L374 PolarHBondContact O-N 2.83Å; Q372-E375 PolarHBondContact O-N 3.37Å; Q372-E375 VanDerWaalsContact O-N 3.09Å; Q372-L376 PolarHBondContact O-N 2.96Å
373	D	73.3	Confident	73.3	Confident	113 Å²	113	82 Å²	82	60%	0.604	42%	0.417	S	S	*	.	H	α-helix	trans	-54.4	-32.8	-173	-73.4	-16.7	0	0	0	114	G377 N495	D373-G377 PolarHBondContact O-N 2.88Å; D373-N495 WeakPolarHBondContact OD1-CB 3.37Å; D373-N495 PolarHBondContact OD1-ND2 2.95Å
374	L	75.2	Confident	73.7	Confident	158 Å²	158	78.8 Å²	78.8	83%	0.827	40%	0.4	S	S	*	.	H	α-helix	trans	-71.3	-43.3	-179.1	-144.2	107.5	0	0	0	112.3	Q372 Y378	Q372-L374 PolarHBondContact O-N 2.83Å; L374-Y378 PolarHBondContact O-N 2.97Å
375	E	80.3	Confident	74.1	Confident	102 Å²	102	87.2 Å²	87.2	48%	0.477	43%	0.431	S	S	.	.	H	α-helix	trans	-66.4	-44.5	176.1	-177.3	177.8	-172.7	0	0	110.2	L371 Q372 G377 Y378 L379	L371-E375 HydrophobicContact CD2-CG 4.23Å; Q372-E375 PolarHBondContact O-N 3.37Å; Q372-E375 VanDerWaalsContact O-N 3.09Å; E375-G377 VanDerWaalsContact C-N 3.35Å; E375-G377 PolarHBondContact O-N 2.86Å; E375-Y378 PolarHBondContact O-N 3.06Å; E375-L379 HydrophobicContact CG-CD1 4.05Å; E375-L379 HydrophobicContact CG-CG 4.4Å; E375-L379 WeakPolarHBondContact O-CG 3.49Å; E375-L379 PolarHBondContact O-N 2.86Å
376	L	80.8	Confident	74.5	Confident	3 Å²	3	97.1 Å²	97.1	2%	0.016	47%	0.469	C	S	.	.	H	α-helix	trans	-59.5	-45.3	177.8	-175.4	63.3	0	0	0	112.1	L371 Q372 Y378 L379 L380 L387 L430 N495	L371-L376 HydrophobicContact CD1-CD1 4.48Å; Q372-L376 PolarHBondContact O-N 2.96Å; L376-Y378 VanDerWaalsContact C-N 3.31Å; L376-Y378 PolarHBondContact O-N 3.01Å; L376-L379 PolarHBondContact O-N 2.75Å; L376-L380 HydrophobicContact CD1-CD1 4.29Å; L376-L380 HydrophobicContact CD1-CG 4.37Å; L376-L380 HydrophobicContact CG-CD1 3.99Å; L376-L380 HydrophobicContact CG-CG 4.47Å; L376-L380 WeakPolarHBondContact O-CB 3.38Å; L376-L380 WeakPolarHBondContact O-CG 3.48Å; L376-L380 PolarHBondContact O-N 3.06Å; L376-L387 HydrophobicContact CD1-CD1 4.05Å; L376-L387 HydrophobicContact CD1-CD2 4.35Å; L376-L430 HydrophobicContact CD1-CD1 3.79Å; L376-L430 HydrophobicContact CD2-CD2 4.22Å; L376-N495 HydrophobicContact CD2-CB 4.09Å; L376-N495 WeakPolarHBondContact CD2-OD1 3.08Å
377	G	77.9	Confident	75.2	Confident	38 Å²	38	96.5 Å²	96.5	39%	0.392	46%	0.46	S	S	.	.	H	α-helix	trans	-59.4	-42	177	0	0	0	0	0	112.5	D373 E375 Q381	D373-G377 PolarHBondContact O-N 2.88Å; E375-G377 VanDerWaalsContact C-N 3.35Å; E375-G377 PolarHBondContact O-N 2.86Å; G377-Q381 WeakPolarHBondContact O-CB 3.42Å; G377-Q381 PolarHBondContact O-N 3.32Å
378	Y	81.8	Confident	76.2	Confident	117 Å²	117	99 Å²	99	46%	0.459	47%	0.472	S	S	.	.	H	α-helix	trans	-66	-44.5	177.2	179.7	-100.6	0	0	0	112.7	L374 E375 L376 Q381 R382	L374-Y378 PolarHBondContact O-N 2.97Å; E375-Y378 PolarHBondContact O-N 3.06Å; L376-Y378 VanDerWaalsContact C-N 3.31Å; L376-Y378 PolarHBondContact O-N 3.01Å; Y378-Q381 PolarHBondContact O-N 3.33Å; Y378-R382 PolarHBondContact O-N 3.1Å; Y378-R382 VanDerWaalsContact O-N 3.08Å; Y378-R382 PolarHBondContact OH-NE 3.12Å; Y378-R382 PolarHBondContact OH-NH1 3.42Å; Y378-R382 PolarHBondContact OH-NH2 2.9Å
379	L	83.7	Confident	77.8	Confident	19 Å²	19	92.1 Å²	92.1	10%	0.099	44%	0.44	C	S	.	.	H	α-helix	trans	-65	-41.1	178.1	-68.2	173.9	0	0	0	112.1	L371 E375 L376 R382 A383 D384 L387	L371-L379 HydrophobicContact CD2-CD1 4.26Å; E375-L379 HydrophobicContact CG-CD1 4.05Å; E375-L379 HydrophobicContact CG-CG 4.4Å; E375-L379 WeakPolarHBondContact O-CG 3.49Å; E375-L379 PolarHBondContact O-N 2.86Å; L376-L379 PolarHBondContact O-N 2.75Å; L379-R382 PolarHBondContact O-N 3.41Å; L379-A383 PolarHBondContact O-N 3.44Å; L379-A383 VanDerWaalsContact O-N 3.12Å; L379-D384 HydrophobicContact CB-CB 4.34Å; L379-D384 HydrophobicContact CD2-CB 3.91Å; L379-D384 PolarHBondContact O-N 3.47Å; L379-D384 VanDerWaalsContact O-N 3.09Å; L379-L387 HydrophobicContact CB-CD1 3.44Å; L379-L387 VanDerWaalsContact CB-CD1 3.44Å; L379-L387 HydrophobicContact CB-CG 4.26Å; L379-L387 HydrophobicContact CD1-CD1 4.3Å; L379-L387 HydrophobicContact CD1-CG 4.5Å
380	L	81.3	Confident	79.2	Confident	14 Å²	14	96.3 Å²	96.3	7%	0.073	46%	0.456	C	S	.	.	H	α-helix	trans	-65.5	-41.2	175.4	-73.7	172.5	0	0	0	111.8	L376 R382 A383 L387 L430 F547	L376-L380 HydrophobicContact CD1-CD1 4.29Å; L376-L380 HydrophobicContact CD1-CG 4.37Å; L376-L380 HydrophobicContact CG-CD1 3.99Å; L376-L380 HydrophobicContact CG-CG 4.47Å; L376-L380 WeakPolarHBondContact O-CB 3.38Å; L376-L380 WeakPolarHBondContact O-CG 3.48Å; L376-L380 PolarHBondContact O-N 3.06Å; L380-R382 VanDerWaalsContact C-N 3.27Å; L380-R382 PolarHBondContact O-N 2.87Å; L380-A383 PolarHBondContact O-N 3.28Å; L380-L387 HydrophobicContact CD2-CD1 3.93Å; L380-L387 HydrophobicContact CG-CD1 4.02Å; L380-L430 HydrophobicContact CD1-CB 4.41Å; L380-L430 HydrophobicContact CD2-CB 4.14Å; L380-F547 HydrophobicContact CD2-CB 3.66Å; L380-F547 HydrophobicContact CD2-CG 4.22Å
381	Q	80.9	Confident	80.8	Confident	165 Å²	165	89.7 Å²	89.7	77%	0.771	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-33.9	176.9	-173.3	178.5	7.7	0	0	112.3	G377 Y378	G377-Q381 WeakPolarHBondContact O-CB 3.42Å; G377-Q381 PolarHBondContact O-N 3.32Å; Y378-Q381 PolarHBondContact O-N 3.33Å
382	R	83.1	Confident	82	Confident	167 Å²	167	89.6 Å²	89.6	63%	0.63	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.1	177.5	-75.2	-168.8	160.9	-160.7	-1.3	114.6	Y378 L379 L380 D384	Y378-R382 PolarHBondContact O-N 3.1Å; Y378-R382 VanDerWaalsContact O-N 3.08Å; Y378-R382 PolarHBondContact OH-NE 3.12Å; Y378-R382 PolarHBondContact OH-NH1 3.42Å; Y378-R382 PolarHBondContact OH-NH2 2.9Å; L379-R382 PolarHBondContact O-N 3.41Å; L380-R382 VanDerWaalsContact C-N 3.27Å; L380-R382 PolarHBondContact O-N 2.87Å; R382-D384 VanDerWaalsContact C-N 3.25Å; R382-D384 PolarHBondContact O-N 3.35Å
383	A	78.7	Confident	82.9	Confident	44 Å²	44	84.4 Å²	84.4	36%	0.364	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	47.4	-174.2	0	0	0	0	0	111.8	L379 L380 R385 F547	L379-A383 PolarHBondContact O-N 3.44Å; L379-A383 VanDerWaalsContact O-N 3.12Å; L380-A383 PolarHBondContact O-N 3.28Å; A383-R385 PolarHBondContact O-N 2.97Å; A383-F547 HydrophobicContact CB-CE1 4Å; A383-F547 HydrophobicContact CB-CZ 3.62Å
384	D	83.1	Confident	83.7	Confident	50 Å²	50	82.7 Å²	82.7	27%	0.267	39%	0.388	S	S	.	.			trans	-63.6	133.3	-177	-163.6	-59.2	0	0	0	111.2	L379 R382 R386 L387	L379-D384 HydrophobicContact CB-CB 4.34Å; L379-D384 HydrophobicContact CD2-CB 3.91Å; L379-D384 PolarHBondContact O-N 3.47Å; L379-D384 VanDerWaalsContact O-N 3.09Å; R382-D384 VanDerWaalsContact C-N 3.25Å; R382-D384 PolarHBondContact O-N 3.35Å; D384-R386 PolarHBondContact O-N 3.49Å; D384-R386 VanDerWaalsContact O-N 3.15Å; D384-R386 WeakPolarHBondContact OD1-CB 3.13Å; D384-R386 VanDerWaalsContact OD1-CG 3.26Å; D384-R386 WeakPolarHBondContact OD1-CG 3.45Å; D384-R386 PolarHBondContact OD1-N 3.21Å; D384-L387 PolarHBondContact O-N 3.2Å; D384-L387 VanDerWaalsContact O-N 3.1Å
385	R	82.9	Confident	84.2	Confident	211 Å²	211	76.4 Å²	76.4	80%	0.796	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-62.1	-20.7	-179.5	-69.3	-175.2	177.5	177.4	-0.6	113.3	A383 L387 E388	A383-R385 PolarHBondContact O-N 2.97Å; R385-L387 PolarHBondContact O-N 3.07Å; R385-E388 WeakPolarHBondContact O-CB 3.06Å; R385-E388 PolarHBondContact O-N 3.47Å; R385-E388 VanDerWaalsContact O-N 3.1Å
386	R	82.1	Confident	84.3	Confident	211 Å²	211	79.4 Å²	79.4	80%	0.796	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63.7	-27.8	175.4	-67.6	173.8	-177.6	-174.3	1.8	112.9	D384	D384-R386 PolarHBondContact O-N 3.49Å; D384-R386 VanDerWaalsContact O-N 3.15Å; D384-R386 WeakPolarHBondContact OD1-CB 3.13Å; D384-R386 VanDerWaalsContact OD1-CG 3.26Å; D384-R386 WeakPolarHBondContact OD1-CG 3.45Å; D384-R386 PolarHBondContact OD1-N 3.21Å
387	L	86	Confident	84.3	Confident	9 Å²	9	81.5 Å²	81.5	5%	0.047	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-92.6	1.1	176.2	-63.1	-179.9	0	0	0	112.1	L371 L376 L379 L380 D384 R385 V389 F547 G548	L371-L387 HydrophobicContact CD1-CD2 4.3Å; L376-L387 HydrophobicContact CD1-CD1 4.05Å; L376-L387 HydrophobicContact CD1-CD2 4.35Å; L379-L387 HydrophobicContact CB-CD1 3.44Å; L379-L387 VanDerWaalsContact CB-CD1 3.44Å; L379-L387 HydrophobicContact CB-CG 4.26Å; L379-L387 HydrophobicContact CD1-CD1 4.3Å; L379-L387 HydrophobicContact CD1-CG 4.5Å; L380-L387 HydrophobicContact CD2-CD1 3.93Å; L380-L387 HydrophobicContact CG-CD1 4.02Å; D384-L387 PolarHBondContact O-N 3.2Å; D384-L387 VanDerWaalsContact O-N 3.1Å; R385-L387 PolarHBondContact O-N 3.07Å; L387-V389 PolarHBondContact O-N 3.18Å; L387-F547 HydrophobicContact CB-CB 4.47Å; L387-F547 HydrophobicContact CB-CD1 4.33Å; L387-F547 CarbonylContact O-C 3.45Å; L387-F547 WeakPolarHBondContact O-CA 3.01Å; L387-G548 CarbonylContact C-O 3.23Å; L387-G548 PolarHBondContact O-N 2.96Å
388	E	87.8	Confident	84.7	Confident	86 Å²	86	80.1 Å²	80.1	40%	0.402	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-77	118.5	-177.6	-170	172.8	-170.4	0	0	110.7	R385	R385-E388 WeakPolarHBondContact O-CB 3.06Å; R385-E388 PolarHBondContact O-N 3.47Å; R385-E388 VanDerWaalsContact O-N 3.1Å
389	V	89.1	Confident	84.9	Confident	8 Å²	8	84.2 Å²	84.2	5%	0.048	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-97.5	125.9	172.2	-178.8	0	0	0	0	108.6	L387 A391 H427 F501 V546	L387-V389 PolarHBondContact O-N 3.18Å; V389-A391 PolarHBondContact O-N 3.04Å; V389-A391 VanDerWaalsContact O-N 3.16Å; V389-H427 HydrophobicContact CG1-CB 4.23Å; V389-F501 HydrophobicContact CB-CZ 4.04Å; V389-F501 HydrophobicContact CG1-CE1 4.47Å; V389-F501 HydrophobicContact CG1-CZ 3.75Å; V389-V546 PolarHBondContact N-O 3.38Å
390	H	86.9	Confident	85.2	Confident	146 Å²	146	86.1 Å²	86.1	68%	0.676	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-63.4	118.2	178.6	-173.8	70.1	0	0	0	110.9
391	A	88.1	Confident	85.6	Confident	26 Å²	26	90.5 Å²	90.5	22%	0.215	42%	0.42	C	S	.	.			trans	-128	134.8	174.9	0	0	0	0	0	110.4	V389 L416 V546	V389-A391 PolarHBondContact O-N 3.04Å; V389-A391 VanDerWaalsContact O-N 3.16Å; A391-L416 HydrophobicContact CB-CB 4.18Å; A391-V546 HydrophobicContact CB-CB 4.41Å; A391-V546 HydrophobicContact CB-CG2 3.83Å
392	I	88.4	Confident	86.1	Confident	41 Å²	41	84.8 Å²	84.8	21%	0.21	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.1	-178.7	-60	171.5	0	0	0	108.6	I394 L416 K417 K420 Y421	I392-I394 HydrophobicContact CG2-CG1 4.24Å; I392-L416 WeakPolarHBondContact O-CA 3.32Å; I392-K417 PolarHBondContact N-O 2.78Å; I392-K417 PolarHBondContact O-N 3.17Å; I392-K420 HydrophobicContact CD1-CB 3.64Å; I392-K420 HydrophobicContact CD1-CD 3.62Å; I392-K420 HydrophobicContact CD1-CG 4.26Å; I392-Y421 HydrophobicContact CD1-CE2 4.33Å
393	F	90.4	Very high	86.3	Confident	45 Å²	45	81.7 Å²	81.7	20%	0.197	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.2	174.3	176.5	-94.9	0	0	0	111.8	M398 L400 L414 L416 I544	F393-M398 HydrophobicContact CE1-SD 4.33Å; F393-M398 HydrophobicContact CE2-CE 3.76Å; F393-M398 HydrophobicContact CZ-CE 3.47Å; F393-M398 VanDerWaalsContact CZ-CE 3.47Å; F393-M398 HydrophobicContact CZ-CG 4.39Å; F393-M398 HydrophobicContact CZ-SD 3.73Å; F393-L400 HydrophobicContact CB-CD1 3.76Å; F393-L400 HydrophobicContact CB-CG 4.43Å; F393-L400 HydrophobicContact CD1-CD1 3.92Å; F393-L400 HydrophobicContact CD1-CD2 4.39Å; F393-L400 HydrophobicContact CD1-CG 3.68Å; F393-L400 HydrophobicContact CD2-CD1 4.3Å; F393-L400 HydrophobicContact CD2-CD2 4.16Å; F393-L400 HydrophobicContact CD2-CG 4.24Å; F393-L400 HydrophobicContact CE1-CD2 4.37Å; F393-L400 HydrophobicContact CE1-CG 3.92Å; F393-L400 HydrophobicContact CE2-CD2 4.11Å; F393-L400 HydrophobicContact CE2-CG 4.42Å; F393-L400 HydrophobicContact CG-CD1 3.72Å; F393-L400 HydrophobicContact CG-CD2 4.28Å; F393-L400 HydrophobicContact CG-CG 3.85Å; F393-L400 HydrophobicContact CZ-CD2 4.24Å; F393-L400 HydrophobicContact CZ-CG 4.28Å; F393-L414 HydrophobicContact CE2-CB 3.97Å; F393-L414 HydrophobicContact CE2-CD2 4.12Å; F393-L414 HydrophobicContact CE2-CG 4.43Å; F393-L414 HydrophobicContact CZ-CD2 4.09Å; F393-L416 HydrophobicContact CB-CD2 4.08Å; F393-L416 HydrophobicContact CD2-CD2 4.02Å; F393-I544 HydrophobicContact CD2-CD1 3.77Å; F393-I544 HydrophobicContact CE2-CD1 3.87Å
394	I	88.4	Confident	86.7	Confident	77 Å²	77	80.6 Å²	80.6	40%	0.395	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	116.4	179.3	-53.4	174	0	0	0	107.4	I392 T415 K417	I392-I394 HydrophobicContact CG2-CG1 4.24Å; I394-T415 PolarHBondContact N-O 3.29Å; I394-T415 WeakPolarHBondContact O-CA 3.49Å; I394-T415 WeakPolarHBondContact O-CB 3.44Å; I394-T415 PolarHBondContact O-N 3.41Å; I394-T415 VanDerWaalsContact O-O 3.13Å; I394-K417 HydrophobicContact CD1-CB 4.23Å
395	S	86	Confident	86.7	Confident	26 Å²	26	79.4 Å²	79.4	18%	0.182	37%	0.367	C	S	.	.			trans	-147.5	142.9	170.5	-174.6	0	0	0	0	110.3	D397 L413	S395-D397 PolarHBondContact OG-N 2.62Å; S395-L413 PolarHBondContact OG-O 3.04Å
396	N	83.4	Confident	86.3	Confident	165 Å²	165	69.9 Å²	69.9	88%	0.882	33%	0.332	S	S	*	.	S	Bend	trans	-89.4	-17.9	171.5	-67.2	-24.7	0	0	0	111.8
397	D	80.8	Confident	85.8	Confident	46 Å²	46	62.8 Å²	62.8	25%	0.246	32%	0.315	C	S	.	.	S	Bend	trans	-91	-33.5	-172.1	-63.3	-49.4	0	0	0	112.1	S395 R409 M412 L413	S395-D397 PolarHBondContact OG-N 2.62Å; D397-R409 IonicContact OD1-CZ 3.41Å; D397-R409 IonicContact OD1-NE 3.3Å; D397-R409 IonicContact OD1-NH1 3.82Å; D397-R409 PolarHBondContact OD1-NH1 3.33Å; D397-M412 HydrophobicContact CB-CB 4.25Å; D397-M412 HydrophobicContact CB-CG 4.21Å; D397-L413 PolarHBondContact OD2-N 3.32Å
398	M	85.2	Confident	85	Confident	10 Å²	10	72.3 Å²	72.3	5%	0.049	35%	0.35	C	S	.	.			trans	-150.8	161.8	-177.1	73.4	90.5	165.5	0	0	113.3	F393 L400 F404 L414 I541	F393-M398 HydrophobicContact CE1-SD 4.33Å; F393-M398 HydrophobicContact CE2-CE 3.76Å; F393-M398 HydrophobicContact CZ-CE 3.47Å; F393-M398 VanDerWaalsContact CZ-CE 3.47Å; F393-M398 HydrophobicContact CZ-CG 4.39Å; F393-M398 HydrophobicContact CZ-SD 3.73Å; M398-L400 HydrophobicContact CE-CD2 4.14Å; M398-F404 HydrophobicContact CB-CD1 4.03Å; M398-F404 HydrophobicContact CB-CE1 4.34Å; M398-F404 HydrophobicContact CB-CG 4.35Å; M398-F404 HydrophobicContact CG-CD1 4.5Å; M398-F404 HydrophobicContact CG-CE1 4.32Å; M398-F404 HydrophobicContact SD-CE1 4.43Å; M398-L414 HydrophobicContact CE-CD1 3.66Å; M398-L414 HydrophobicContact CE-CD2 3.44Å; M398-L414 VanDerWaalsContact CE-CD2 3.44Å; M398-L414 HydrophobicContact CE-CG 4.17Å; M398-L414 HydrophobicContact CG-CD2 3.75Å; M398-L414 HydrophobicContact SD-CD2 4.39Å; M398-I541 HydrophobicContact CE-CB 3.8Å; M398-I541 HydrophobicContact CE-CD1 3.44Å; M398-I541 VanDerWaalsContact CE-CD1 3.44Å; M398-I541 HydrophobicContact CE-CG1 4.11Å; M398-I541 HydrophobicContact CE-CG2 4.13Å
399	R	87.6	Confident	84	Confident	203 Å²	203	75.6 Å²	75.6	77%	0.766	36%	0.359	S	S	*	.			trans	-112.3	141.4	171.6	-63.8	-177.4	-179.1	-174.4	0.8	109.9	S402	R399-S402 PolarHBondContact O-N 3.2Å; R399-S402 PolarHBondContact O-OG 3.48Å
400	L	90.1	Very high	82.9	Confident	59 Å²	59	82.6 Å²	82.6	31%	0.309	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	146.8	172.4	-65.1	176.4	0	0	0	110.5	F393 M398 S402 I541 I544	F393-L400 HydrophobicContact CB-CD1 3.76Å; F393-L400 HydrophobicContact CB-CG 4.43Å; F393-L400 HydrophobicContact CD1-CD1 3.92Å; F393-L400 HydrophobicContact CD1-CD2 4.39Å; F393-L400 HydrophobicContact CD1-CG 3.68Å; F393-L400 HydrophobicContact CD2-CD1 4.3Å; F393-L400 HydrophobicContact CD2-CD2 4.16Å; F393-L400 HydrophobicContact CD2-CG 4.24Å; F393-L400 HydrophobicContact CE1-CD2 4.37Å; F393-L400 HydrophobicContact CE1-CG 3.92Å; F393-L400 HydrophobicContact CE2-CD2 4.11Å; F393-L400 HydrophobicContact CE2-CG 4.42Å; F393-L400 HydrophobicContact CG-CD1 3.72Å; F393-L400 HydrophobicContact CG-CD2 4.28Å; F393-L400 HydrophobicContact CG-CG 3.85Å; F393-L400 HydrophobicContact CZ-CD2 4.24Å; F393-L400 HydrophobicContact CZ-CG 4.28Å; M398-L400 HydrophobicContact CE-CD2 4.14Å; L400-S402 PolarHBondContact O-N 2.98Å; L400-I541 HydrophobicContact CD2-CB 4.41Å; L400-I541 HydrophobicContact CD2-CG2 3.74Å; L400-I544 HydrophobicContact CD2-CD1 4.01Å; L400-I544 HydrophobicContact CD2-CG1 4.07Å
401	N	89.7	Confident	82.2	Confident	106 Å²	106	82.8 Å²	82.8	57%	0.567	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	21.7	-178.7	-160.5	28.8	0	0	0	114.6	K540 I541	N401-K540 WeakPolarHBondContact O-CE 3.29Å; N401-K540 WeakPolarHBondContact OD1-CE 3.17Å; N401-K540 PolarHBondContact OD1-NZ 3.4Å; N401-I541 PolarHBondContact N-O 2.74Å
402	S	90.3	Very high	82	Confident	44 Å²	44	82.1 Å²	82.1	31%	0.308	38%	0.377	S	S	.	.			trans	-119	143.3	173.2	71.5	0	0	0	0	111.9	R399 L400	R399-S402 PolarHBondContact O-N 3.2Å; R399-S402 PolarHBondContact O-OG 3.48Å; L400-S402 PolarHBondContact O-N 2.98Å
403	W	87.3	Confident	82	Confident	102 Å²	102	82.7 Å²	82.7	39%	0.386	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	135.4	173.6	-70.4	101.6	0	0	0	109.8	C437 T439 F484 Y538 M539 K540	W403-C437 HydrophobicContact CH2-CB 4.19Å; W403-T439 HydrophobicContact CE3-CG2 4.27Å; W403-T439 HydrophobicContact CH2-CG2 4.17Å; W403-T439 HydrophobicContact CZ3-CG2 3.84Å; W403-F484 HydrophobicContact CH2-CD1 4.41Å; W403-F484 HydrophobicContact CZ2-CD1 4.3Å; W403-F484 HydrophobicContact CZ2-CE1 4.45Å; W403-F484 HydrophobicContact CZ2-CG 4.44Å; W403-Y538 WeakPolarHBondContact CZ3-O 3.37Å; W403-M539 WeakPolarHBondContact CA-O 3.45Å; W403-K540 HydrophobicContact CD2-CB 3.62Å; W403-K540 HydrophobicContact CD2-CD 4.08Å; W403-K540 HydrophobicContact CD2-CG 4.39Å; W403-K540 HydrophobicContact CE3-CB 3.52Å; W403-K540 HydrophobicContact CG-CB 4.18Å; W403-K540 HydrophobicContact CG-CD 4.3Å; W403-K540 HydrophobicContact CH2-CB 4.2Å; W403-K540 HydrophobicContact CZ2-CB 4.29Å; W403-K540 HydrophobicContact CZ2-CD 4.14Å; W403-K540 HydrophobicContact CZ3-CB 3.81Å
404	F	86.5	Confident	82	Confident	22 Å²	22	80.6 Å²	80.6	10%	0.096	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.5	176.7	64.4	-91.3	0	0	0	110.7	M398 P406 M412 L508 M539 I541	M398-F404 HydrophobicContact CB-CD1 4.03Å; M398-F404 HydrophobicContact CB-CE1 4.34Å; M398-F404 HydrophobicContact CB-CG 4.35Å; M398-F404 HydrophobicContact CG-CD1 4.5Å; M398-F404 HydrophobicContact CG-CE1 4.32Å; M398-F404 HydrophobicContact SD-CE1 4.43Å; F404-P406 HydrophobicContact CE2-CB 4.21Å; F404-P406 WeakPolarHBondContact O-CD 3.38Å; F404-M412 HydrophobicContact CD2-CE 3.78Å; F404-M412 HydrophobicContact CD2-SD 3.81Å; F404-M412 HydrophobicContact CE2-CE 3.97Å; F404-M412 HydrophobicContact CE2-SD 3.49Å; F404-M412 WeakPolarHBondContact CE2-SD 3.47Å; F404-M412 HydrophobicContact CZ-SD 4.31Å; F404-L508 HydrophobicContact CE2-CD2 4.3Å; F404-L508 HydrophobicContact CZ-CD2 3.9Å; F404-M539 VanDerWaalsContact CD1-O 3.23Å; F404-M539 WeakPolarHBondContact CD1-O 3.37Å; F404-M539 HydrophobicContact CE1-CB 4.35Å; F404-M539 HydrophobicContact CE1-CG 4.4Å; F404-M539 WeakPolarHBondContact CE1-O 3.41Å; F404-M539 HydrophobicContact CE2-CB 4.04Å; F404-M539 HydrophobicContact CE2-CG 4.49Å; F404-M539 HydrophobicContact CE2-SD 4.34Å; F404-M539 HydrophobicContact CZ-CB 3.89Å; F404-M539 HydrophobicContact CZ-CG 3.92Å; F404-M539 HydrophobicContact CZ-SD 3.86Å; F404-M539 PolarHBondContact N-O 2.99Å; F404-M539 PolarHBondContact O-N 3.5Å; F404-I541 HydrophobicContact CE1-CD1 4.45Å; F404-I541 HydrophobicContact CE1-CG1 4.38Å; F404-I541 HydrophobicContact CZ-CD1 4.36Å
405	D	82.9	Confident	82.2	Confident	24 Å²	24	78 Å²	78	13%	0.128	36%	0.359	C	S	.	.			trans	-91.5	112.3	175.1	-173	-16.1	0	0	0	109.3	S407 W408 Y538	D405-S407 PolarHBondContact O-N 3.28Å; D405-S407 VanDerWaalsContact OD1-CB 3.23Å; D405-S407 WeakPolarHBondContact OD1-CB 3.05Å; D405-S407 PolarHBondContact OD1-N 2.94Å; D405-S407 PolarHBondContact OD1-OG 3.36Å; D405-S407 PolarHBondContact OD2-OG 3.46Å; D405-S407 VanDerWaalsContact OD2-OG 3.11Å; D405-W408 HydrophobicContact CB-CD2 4.23Å; D405-W408 HydrophobicContact CB-CG 4.25Å; D405-W408 PolarHBondContact OD2-NE1 3.33Å; D405-W408 VanDerWaalsContact OD2-NE1 3.12Å; D405-Y538 HydrophobicContact CB-CD1 4.1Å; D405-Y538 HydrophobicContact CB-CE1 3.93Å
406	P	76.2	Confident	82.5	Confident	11 Å²	11	77 Å²	77	7%	0.071	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-72.8	-10.3	-179.2	29.2	-31.7	0	0	0	113.3	F404 W408 L444 G537 M539	F404-P406 HydrophobicContact CE2-CB 4.21Å; F404-P406 WeakPolarHBondContact O-CD 3.38Å; P406-W408 VanDerWaalsContact C-N 3.31Å; P406-W408 PolarHBondContact O-N 2.88Å; P406-L444 HydrophobicContact CG-CD1 3.42Å; P406-L444 VanDerWaalsContact CG-CD1 3.42Å; P406-G537 WeakPolarHBondContact CD-O 3.37Å; P406-M539 HydrophobicContact CG-CB 4.38Å
407	S	70.8	Confident	82.8	Confident	62 Å²	62	72.2 Å²	72.2	43%	0.434	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-72.1	-23.2	177.9	71.6	0	0	0	0	113.3	D405 R409	D405-S407 PolarHBondContact O-N 3.28Å; D405-S407 VanDerWaalsContact OD1-CB 3.23Å; D405-S407 WeakPolarHBondContact OD1-CB 3.05Å; D405-S407 PolarHBondContact OD1-N 2.94Å; D405-S407 PolarHBondContact OD1-OG 3.36Å; D405-S407 PolarHBondContact OD2-OG 3.46Å; D405-S407 VanDerWaalsContact OD2-OG 3.11Å; S407-R409 VanDerWaalsContact C-N 3.26Å; S407-R409 PolarHBondContact O-N 3.27Å
408	W	68.7	Low	83	Confident	209 Å²	209	70.6 Å²	70.6	79%	0.792	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-67.9	-24.4	-175	-69.2	6.5	0	0	0	113.5	D405 P406	D405-W408 HydrophobicContact CB-CD2 4.23Å; D405-W408 HydrophobicContact CB-CG 4.25Å; D405-W408 PolarHBondContact OD2-NE1 3.33Å; D405-W408 VanDerWaalsContact OD2-NE1 3.12Å; P406-W408 VanDerWaalsContact C-N 3.31Å; P406-W408 PolarHBondContact O-N 2.88Å
409	R	68.2	Low	82.4	Confident	156 Å²	156	70.7 Å²	70.7	59%	0.589	32%	0.315	S	S	*	.			trans	-143.2	127.2	176.4	-73.5	-170.2	173.8	-161.1	-6.7	111.1	D397 S407 R411 M412	D397-R409 IonicContact OD1-CZ 3.41Å; D397-R409 IonicContact OD1-NE 3.3Å; D397-R409 IonicContact OD1-NH1 3.82Å; D397-R409 PolarHBondContact OD1-NH1 3.33Å; S407-R409 VanDerWaalsContact C-N 3.26Å; S407-R409 PolarHBondContact O-N 3.27Å; R409-R411 PolarHBondContact O-N 2.91Å; R409-R411 VanDerWaalsContact O-N 3.13Å; R409-M412 HydrophobicContact CB-CE 4.45Å; R409-M412 HydrophobicContact CB-CG 4.45Å
410	K	65.4	Low	81.4	Confident	154 Å²	154	66.6 Å²	66.6	67%	0.67	30%	0.303	S	S	*	.	S	Bend	trans	-60.4	-24.3	179.6	-64.9	-172.3	177.5	-174	0	114.1
411	R	71.9	Confident	79.9	Confident	150 Å²	150	72.4 Å²	72.4	57%	0.566	32%	0.322	S	S	*	.			trans	-144.7	123.3	179.4	-59.6	-178.1	-176	-179.5	1.5	109	R409 R509	R409-R411 PolarHBondContact O-N 2.91Å; R409-R411 VanDerWaalsContact O-N 3.13Å; R411-R509 HydrophobicContact CG-CG 4.16Å
412	M	84.3	Confident	78.5	Confident	13 Å²	13	74.7 Å²	74.7	6%	0.064	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.7	172.4	-65	-179.1	179.5	0	0	109.3	D397 F404 R409 Y507 L508	D397-M412 HydrophobicContact CB-CB 4.25Å; D397-M412 HydrophobicContact CB-CG 4.21Å; F404-M412 HydrophobicContact CD2-CE 3.78Å; F404-M412 HydrophobicContact CD2-SD 3.81Å; F404-M412 HydrophobicContact CE2-CE 3.97Å; F404-M412 HydrophobicContact CE2-SD 3.49Å; F404-M412 WeakPolarHBondContact CE2-SD 3.47Å; F404-M412 HydrophobicContact CZ-SD 4.31Å; R409-M412 HydrophobicContact CB-CE 4.45Å; R409-M412 HydrophobicContact CB-CG 4.45Å; M412-Y507 WeakPolarHBondContact O-CA 3.23Å; M412-L508 HydrophobicContact CB-CB 4.42Å; M412-L508 PolarHBondContact N-O 2.84Å; M412-L508 PolarHBondContact O-N 3.42Å
413	L	88.2	Confident	77.6	Confident	53 Å²	53	77 Å²	77	28%	0.277	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.6	179.4	178.5	62.4	0	0	0	110.1	S395 D397 H505 Y507	S395-L413 PolarHBondContact OG-O 3.04Å; D397-L413 PolarHBondContact OD2-N 3.32Å; L413-H505 HydrophobicContact CD1-CB 3.92Å; L413-Y507 HydrophobicContact CB-CD1 4.46Å; L413-Y507 HydrophobicContact CB-CE1 4.27Å; L413-Y507 HydrophobicContact CD1-CD1 4.16Å; L413-Y507 HydrophobicContact CD1-CE1 3.86Å; L413-Y507 HydrophobicContact CD1-CE2 4.25Å; L413-Y507 HydrophobicContact CD1-CG 4.49Å; L413-Y507 HydrophobicContact CG-CE1 4.49Å
414	L	90.4	Very high	77.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.3	175	-46.6	-178.8	0	0	0	108.2	F393 M398 H505 I506 I541	F393-L414 HydrophobicContact CE2-CB 3.97Å; F393-L414 HydrophobicContact CE2-CD2 4.12Å; F393-L414 HydrophobicContact CE2-CG 4.43Å; F393-L414 HydrophobicContact CZ-CD2 4.09Å; M398-L414 HydrophobicContact CE-CD1 3.66Å; M398-L414 HydrophobicContact CE-CD2 3.44Å; M398-L414 VanDerWaalsContact CE-CD2 3.44Å; M398-L414 HydrophobicContact CE-CG 4.17Å; M398-L414 HydrophobicContact CG-CD2 3.75Å; M398-L414 HydrophobicContact SD-CD2 4.39Å; L414-H505 WeakPolarHBondContact O-CA 3.26Å; L414-I506 HydrophobicContact CB-CB 4.13Å; L414-I506 PolarHBondContact N-O 3.11Å; L414-I506 PolarHBondContact O-N 3.29Å; L414-I541 HydrophobicContact CD1-CD1 3.85Å
415	T	91.8	Very high	77.3	Confident	24 Å²	24	77.3 Å²	77.3	15%	0.147	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.3	-178.9	-58.2	0	0	0	0	110.1	I394 T503 I504 H505	I394-T415 PolarHBondContact N-O 3.29Å; I394-T415 WeakPolarHBondContact O-CA 3.49Å; I394-T415 WeakPolarHBondContact O-CB 3.44Å; I394-T415 PolarHBondContact O-N 3.41Å; I394-T415 VanDerWaalsContact O-O 3.13Å; T415-T503 HydrophobicContact CG2-CG2 3.32Å; T415-I504 CarbonylContact C-O 3.58Å; T415-I504 WeakPolarHBondContact CA-O 3.14Å; T415-H505 PolarHBondContact OG1-ND1 3.42Å; T415-H505 VanDerWaalsContact OG1-ND1 3.17Å
416	L	92	Very high	77.6	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.8	171.7	-59.1	168.8	0	0	0	108.4	A391 I392 F393 I432 T503 I504 I506 I544 V546	A391-L416 HydrophobicContact CB-CB 4.18Å; I392-L416 WeakPolarHBondContact O-CA 3.32Å; F393-L416 HydrophobicContact CB-CD2 4.08Å; F393-L416 HydrophobicContact CD2-CD2 4.02Å; L416-I432 HydrophobicContact CD1-CD1 3.76Å; L416-T503 CarbonylContact O-C 3.42Å; L416-T503 VanDerWaalsContact O-CA 3.26Å; L416-T503 WeakPolarHBondContact O-CA 3.25Å; L416-I504 HydrophobicContact CB-CB 4.2Å; L416-I504 HydrophobicContact CD1-CB 4.42Å; L416-I504 HydrophobicContact CD1-CD1 4.38Å; L416-I504 PolarHBondContact N-O 2.95Å; L416-I504 PolarHBondContact O-N 2.98Å; L416-I506 HydrophobicContact CD1-CD1 4Å; L416-I544 HydrophobicContact CD1-CG2 3.62Å; L416-I544 HydrophobicContact CD2-CB 4.36Å; L416-I544 HydrophobicContact CD2-CD1 4.4Å; L416-I544 HydrophobicContact CD2-CG2 4.09Å; L416-I544 HydrophobicContact CG-CG2 4.44Å; L416-V546 HydrophobicContact CD1-CG2 3.72Å
417	K	90.8	Very high	78.2	Confident	65 Å²	65	76.7 Å²	76.7	28%	0.283	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.2	177.6	-170.5	171	-176.3	172.5	0	110.7	I392 I394 N419 E502	I392-K417 PolarHBondContact N-O 2.78Å; I392-K417 PolarHBondContact O-N 3.17Å; I394-K417 HydrophobicContact CD1-CB 4.23Å; K417-N419 WeakPolarHBondContact CE-O 3.35Å; K417-E502 WeakPolarHBondContact CA-O 3.31Å
418	S	85.9	Confident	79.1	Confident	12 Å²	12	73.8 Å²	73.8	8%	0.084	32%	0.324	C	S	.	.	S	Bend	trans	-76.3	-39.7	-179.3	57.9	0	0	0	0	112.1	H427 F501 E502	S418-H427 VanDerWaalsContact CB-CD2 3.47Å; S418-H427 WeakPolarHBondContact CB-CD2 3.26Å; S418-H427 PolarHBondContact OG-CD2 3.36Å; S418-F501 PolarHBondContact OG-O 3.49Å; S418-E502 PolarHBondContact N-O 2.88Å; S418-E502 WeakPolarHBondContact OG-CA 3.45Å; S418-E502 PolarHBondContact OG-O 2.95Å
419	N	72.3	Confident	80.2	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.064	29%	0.286	C	S	.	.			trans	-117.7	82.8	-164.5	-146.5	-17.7	0	0	0	113.3	K417 K422 M425 E502 R609	K417-N419 WeakPolarHBondContact CE-O 3.35Å; N419-K422 PolarHBondContact ND2-O 2.96Å; N419-K422 VanDerWaalsContact OD1-CA 3.3Å; N419-K422 WeakPolarHBondContact OD1-CA 3.39Å; N419-K422 PolarHBondContact OD1-N 2.75Å; N419-K422 PolarHBondContact OD1-O 2.04Å; N419-M425 PolarHBondContact ND2-O 2.87Å; N419-E502 HydrophobicContact CB-CG 4.29Å; N419-R609 PolarHBondContact ND2-NH1 3.18Å; N419-R609 VanDerWaalsContact ND2-NH1 3.18Å; N419-R609 PolarHBondContact ND2-NH2 3.49Å
420	K	66.3	Low	81.3	Confident	117 Å²	117	56.5 Å²	56.5	51%	0.509	26%	0.259	S	S	.	.	S	Bend	trans	-93.6	-22.2	174.7	-167.3	175.9	178.3	-168.6	0	113	I392	I392-K420 HydrophobicContact CD1-CB 3.64Å; I392-K420 HydrophobicContact CD1-CD 3.62Å; I392-K420 HydrophobicContact CD1-CG 4.26Å
421	Y	57.8	Low	82.5	Confident	181 Å²	181	49.2 Å²	49.2	71%	0.71	23%	0.227	S	C	*	.	S	Bend	trans	-139.2	-8.1	-169.9	-56.2	-74.4	0	0	0	115.7	I392	I392-Y421 HydrophobicContact CD1-CE2 4.33Å
422	K	61.3	Low	83.5	Confident	154 Å²	154	42.2 Å²	42.2	67%	0.67	20%	0.201	S	C	*	.			trans	-125.9	76.7	-173.9	-70.7	-170	177.1	-175.4	0	113	N419 N424 M425	N419-K422 PolarHBondContact ND2-O 2.96Å; N419-K422 VanDerWaalsContact OD1-CA 3.3Å; N419-K422 WeakPolarHBondContact OD1-CA 3.39Å; N419-K422 PolarHBondContact OD1-N 2.75Å; N419-K422 PolarHBondContact OD1-O 2.04Å; K422-N424 PolarHBondContact O-N 2.87Å; K422-M425 PolarHBondContact O-N 3.2Å
423	T	69.9	Low	83.8	Confident	94 Å²	94	42 Å²	42	58%	0.577	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-11.3	-178.6	50.2	0	0	0	0	115.7	R609	T423-R609 VanDerWaalsContact C-NH2 3.27Å; T423-R609 PolarHBondContact O-NH2 2.96Å
424	N	83.6	Confident	84	Confident	77 Å²	77	39.5 Å²	39.5	41%	0.412	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	12.3	-174.9	-56.9	14.3	0	0	0	112.9	K422 H552 F553	K422-N424 PolarHBondContact O-N 2.87Å; N424-H552 PolarHBondContact O-ND1 2.79Å; N424-F553 CarbonylContact C-O 3.55Å; N424-F553 WeakPolarHBondContact CA-O 3.04Å; N424-F553 PolarHBondContact O-N 2.96Å; N424-F553 VanDerWaalsContact O-O 3.09Å
425	M	85.4	Confident	84.1	Confident	53 Å²	53	41.4 Å²	41.4	26%	0.261	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.9	177.2	-58.8	-61.3	-66	0	0	110.7	N419 K422 M551 R609	N419-M425 PolarHBondContact ND2-O 2.87Å; K422-M425 PolarHBondContact O-N 3.2Å; M425-M551 VanDerWaalsContact CA-O 3.32Å; M425-M551 WeakPolarHBondContact CA-O 3.5Å; M425-M551 WeakPolarHBondContact CE-O 2.91Å; M425-R609 PolarHBondContact O-NH2 3.46Å
426	V	88.6	Confident	84	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.7	171.5	173.6	0	0	0	0	108.2	F455 F500 S550 M551 F553	V426-F455 HydrophobicContact CG1-CD1 4.44Å; V426-F455 HydrophobicContact CG1-CE1 3.79Å; V426-F455 HydrophobicContact CG2-CE1 4.48Å; V426-F500 HydrophobicContact CG1-CD1 3.26Å; V426-F500 HydrophobicContact CG1-CE1 3.37Å; V426-F500 HydrophobicContact CG1-CG 4.49Å; V426-S550 CarbonylContact O-C 3.54Å; V426-S550 WeakPolarHBondContact O-CA 3.43Å; V426-M551 HydrophobicContact CG1-CE 4.36Å; V426-M551 PolarHBondContact N-O 3.12Å; V426-M551 PolarHBondContact O-N 2.98Å; V426-F553 HydrophobicContact CB-CB 4.43Å; V426-F553 HydrophobicContact CG2-CB 3.64Å; V426-F553 HydrophobicContact CG2-CD1 4.21Å; V426-F553 HydrophobicContact CG2-CD2 4.27Å; V426-F553 HydrophobicContact CG2-CG 3.77Å
427	H	89.3	Confident	83.9	Confident	18 Å²	18	40.3 Å²	40.3	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.2	-171.6	-52.8	-78.1	0	0	0	111.9	V389 S418 F500 F501 Y549 S550	V389-H427 HydrophobicContact CG1-CB 4.23Å; S418-H427 VanDerWaalsContact CB-CD2 3.47Å; S418-H427 WeakPolarHBondContact CB-CD2 3.26Å; S418-H427 PolarHBondContact OG-CD2 3.36Å; H427-F500 WeakPolarHBondContact O-CA 3.47Å; H427-F501 HydrophobicContact CB-CD1 3.84Å; H427-F501 HydrophobicContact CB-CE1 3.4Å; H427-F501 VanDerWaalsContact CB-CE1 3.4Å; H427-F501 HydrophobicContact CB-CZ 3.79Å; H427-F501 PolarHBondContact O-N 3.28Å; H427-Y549 WeakPolarHBondContact CA-O 3.35Å; H427-S550 PolarHBondContact CE1-OG 3.17Å; H427-S550 VanDerWaalsContact CE1-OG 3.28Å; H427-S550 WeakPolarHBondContact ND1-CB 3.47Å; H427-S550 PolarHBondContact ND1-OG 2.03Å
428	M	89.8	Confident	83.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.3	173.1	-70.7	-59.8	-62.8	0	0	110	K498 T499 F500 G548 Y549 M551 L591	M428-K498 HydrophobicContact CE-CB 3.92Å; M428-K498 HydrophobicContact CE-CD 3.98Å; M428-K498 HydrophobicContact CE-CG 3.66Å; M428-T499 CarbonylContact C-O 3.55Å; M428-T499 WeakPolarHBondContact CA-O 3.36Å; M428-T499 VanDerWaalsContact CE-C 3.42Å; M428-F500 HydrophobicContact SD-CB 4.33Å; M428-F500 HydrophobicContact SD-CD1 3.4Å; M428-F500 WeakPolarHBondContact SD-CD1 3.44Å; M428-F500 HydrophobicContact SD-CD2 4.01Å; M428-F500 HydrophobicContact SD-CE1 3.63Å; M428-F500 HydrophobicContact SD-CE2 4.21Å; M428-F500 HydrophobicContact SD-CG 3.64Å; M428-F500 HydrophobicContact SD-CZ 4.03Å; M428-G548 CarbonylContact O-C 3.53Å; M428-G548 WeakPolarHBondContact O-CA 3.22Å; M428-Y549 HydrophobicContact CB-CD1 3.98Å; M428-Y549 HydrophobicContact CB-CD2 4.23Å; M428-Y549 HydrophobicContact CB-CE1 3.62Å; M428-Y549 HydrophobicContact CB-CE2 3.9Å; M428-Y549 HydrophobicContact CB-CG 4.27Å; M428-Y549 HydrophobicContact CG-CD2 4.33Å; M428-Y549 HydrophobicContact CG-CE1 4.14Å; M428-Y549 HydrophobicContact CG-CE2 3.67Å; M428-Y549 PolarHBondContact N-O 3.3Å; M428-Y549 PolarHBondContact O-N 3.07Å; M428-M551 HydrophobicContact CG-CE 3.39Å; M428-M551 HydrophobicContact CG-SD 4.08Å; M428-M551 HydrophobicContact SD-CE 3.85Å; M428-L591 HydrophobicContact CE-CD1 4.26Å; M428-L591 HydrophobicContact SD-CD1 4.3Å
429	L	90.9	Very high	83.6	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.9	177.2	-176.2	68.5	0	0	0	109.8	G431 I452 L493 K498 T499 F501 I504 V546	L429-G431 WeakPolarHBondContact CD1-O 3.46Å; L429-I452 HydrophobicContact CD2-CD1 3.34Å; L429-I452 HydrophobicContact CD2-CG1 4.35Å; L429-L493 HydrophobicContact CD2-CD1 3.86Å; L429-L493 HydrophobicContact CG-CD1 4.01Å; L429-K498 WeakPolarHBondContact O-CA 3.43Å; L429-T499 HydrophobicContact CB-CG2 3.94Å; L429-T499 HydrophobicContact CD2-CG2 4.19Å; L429-T499 PolarHBondContact N-O 3.39Å; L429-T499 PolarHBondContact O-N 3.5Å; L429-F501 HydrophobicContact CB-CB 4.35Å; L429-F501 HydrophobicContact CB-CD1 3.56Å; L429-F501 HydrophobicContact CB-CE1 4.08Å; L429-F501 HydrophobicContact CB-CG 4.12Å; L429-F501 HydrophobicContact CD1-CD1 4.43Å; L429-F501 HydrophobicContact CD1-CE1 4.4Å; L429-I504 HydrophobicContact CD1-CD1 3.94Å; L429-I504 HydrophobicContact CD2-CD1 4.24Å; L429-V546 HydrophobicContact CD1-CG1 3.37Å
430	L	90.4	Very high	83.7	Confident	1 Å²	1	45 Å²	45	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-21.2	175.8	-65.2	171.6	0	0	0	112.5	L376 L380 L493 G494 K498 F547 Y549	L376-L430 HydrophobicContact CD1-CD1 3.79Å; L376-L430 HydrophobicContact CD2-CD2 4.22Å; L380-L430 HydrophobicContact CD1-CB 4.41Å; L380-L430 HydrophobicContact CD2-CB 4.14Å; L430-L493 WeakPolarHBondContact O-CA 3.31Å; L430-L493 WeakPolarHBondContact O-CB 3.42Å; L430-L493 PolarHBondContact O-N 3.38Å; L430-G494 PolarHBondContact O-N 2.98Å; L430-G494 VanDerWaalsContact O-N 3.16Å; L430-K498 HydrophobicContact CD2-CB 3.78Å; L430-K498 HydrophobicContact CD2-CD 4.33Å; L430-F547 PolarHBondContact N-O 2.7Å; L430-Y549 HydrophobicContact CD1-CD1 3.78Å; L430-Y549 HydrophobicContact CD1-CE1 4.2Å; L430-Y549 HydrophobicContact CD2-CE1 4.31Å; L430-Y549 HydrophobicContact CG-CD1 4.31Å; L430-Y549 HydrophobicContact CG-CE1 4.4Å
431	G	90.9	Very high	83.9	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	170.6	174.8	0	0	0	0	0	113.3	L429 L491 F547	L429-G431 WeakPolarHBondContact CD1-O 3.46Å; G431-L491 CarbonylContact C-O 3.59Å; G431-L491 WeakPolarHBondContact CA-O 3.35Å; G431-F547 PolarHBondContact N-O 3.43Å; G431-F547 VanDerWaalsContact N-O 3.11Å; G431-F547 PolarHBondContact O-N 2.84Å
432	I	93.2	Very high	84.6	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.3	177.8	-172.3	169.4	0	0	0	110.1	L416 L434 L450 W475 T490 L491 I506 I544 Q545	L416-I432 HydrophobicContact CD1-CD1 3.76Å; I432-L434 HydrophobicContact CD1-CD1 4.16Å; I432-L434 HydrophobicContact CG1-CD1 3.94Å; I432-L450 HydrophobicContact CG2-CD1 4.05Å; I432-W475 HydrophobicContact CG2-CH2 3.63Å; I432-W475 HydrophobicContact CG2-CZ3 4.04Å; I432-T490 WeakPolarHBondContact O-CA 3.32Å; I432-L491 HydrophobicContact CG2-CB 3.91Å; I432-L491 HydrophobicContact CG2-CD2 4.39Å; I432-L491 PolarHBondContact N-O 3.36Å; I432-L491 PolarHBondContact O-N 2.96Å; I432-I506 HydrophobicContact CD1-CD1 3.56Å; I432-I544 HydrophobicContact CD1-CG2 4.17Å; I432-I544 HydrophobicContact CG1-CG2 4.24Å; I432-Q545 WeakPolarHBondContact CA-O 3.42Å
433	S	91.9	Very high	85.2	Confident	9 Å²	9	34.2 Å²	34.2	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133	175.9	178.2	0	0	0	0	110.6	W489 T490 I544 Q545	S433-W489 CarbonylContact C-O 3.56Å; S433-W489 VanDerWaalsContact CA-O 3.31Å; S433-W489 WeakPolarHBondContact CA-O 3.22Å; S433-T490 WeakPolarHBondContact OG-CG2 3.32Å; S433-I544 CarbonylContact O-C 3.58Å; S433-I544 WeakPolarHBondContact O-CA 3.33Å; S433-Q545 PolarHBondContact N-O 2.87Å; S433-Q545 PolarHBondContact O-N 2.96Å
434	L	91.8	Very high	85.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.8	175.6	-62.9	92.2	0	0	0	109.7	I432 V436 L448 W475 N488 W489 I506 I544	I432-L434 HydrophobicContact CD1-CD1 4.16Å; I432-L434 HydrophobicContact CG1-CD1 3.94Å; L434-V436 HydrophobicContact CB-CG2 4.29Å; L434-L448 HydrophobicContact CD1-CD1 4.22Å; L434-W475 HydrophobicContact CD1-CH2 3.57Å; L434-W475 HydrophobicContact CD1-CZ3 3.64Å; L434-N488 WeakPolarHBondContact O-CA 3.34Å; L434-W489 PolarHBondContact N-O 2.88Å; L434-W489 PolarHBondContact O-N 3.49Å; L434-I506 HydrophobicContact CD2-CD1 4.11Å; L434-I544 HydrophobicContact CD2-CD1 3.92Å; L434-I544 HydrophobicContact CD2-CG1 3.93Å; L434-I544 HydrophobicContact CD2-CG2 4.4Å; L434-I544 HydrophobicContact CG-CG1 4.04Å; L434-I544 HydrophobicContact CG-CG2 4.01Å
435	Q	91.8	Very high	85.2	Confident	39 Å²	39	30.4 Å²	30.4	18%	0.182	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	107.4	172.7	-174.5	-178.7	16.9	0	0	109.7	L480 N488 I541 N542 S543	Q435-L480 HydrophobicContact CG-CD1 3.82Å; Q435-N488 WeakPolarHBondContact CB-OD1 3.43Å; Q435-N488 WeakPolarHBondContact CG-OD1 3.17Å; Q435-I541 CarbonylContact O-C 3.33Å; Q435-I541 WeakPolarHBondContact O-CA 3.1Å; Q435-N542 HydrophobicContact CB-CB 4.13Å; Q435-N542 HydrophobicContact CG-CB 4.02Å; Q435-N542 PolarHBondContact NE2-ND2 3.2Å; Q435-N542 PolarHBondContact O-N 3.28Å; Q435-N542 VanDerWaalsContact OE1-CB 3.32Å; Q435-S543 PolarHBondContact N-O 2.91Å; Q435-S543 PolarHBondContact OE1-OG 3.19Å
436	V	90.6	Very high	85	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.3	-177.6	-170.9	0	0	0	0	109.8	L434 P446 C486 Y487 W489 M539 K540 I541	L434-V436 HydrophobicContact CB-CG2 4.29Å; V436-P446 HydrophobicContact CG1-CG 4.38Å; V436-C486 CarbonylContact O-C 3.59Å; V436-C486 WeakPolarHBondContact O-CA 3.33Å; V436-Y487 PolarHBondContact N-O 3.43Å; V436-Y487 PolarHBondContact O-N 3.21Å; V436-W489 HydrophobicContact CG2-CG 4.45Å; V436-M539 HydrophobicContact CG1-CG 3.71Å; V436-M539 HydrophobicContact CG1-SD 3.82Å; V436-K540 CarbonylContact C-O 3.59Å; V436-I541 HydrophobicContact CG2-CG1 4.28Å
437	C	89.6	Confident	84.8	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.02	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.6	177.1	-66.8	0	0	0	0	110.8	W403 C486 M539 K540 N542	W403-C437 HydrophobicContact CH2-CB 4.19Å; C437-C486 HydrophobicContact CB-CB 4.12Å; C437-C486 WeakPolarHBondContact CB-SG 3.32Å; C437-C486 WeakPolarHBondContact SG-CB 3.49Å; C437-C486 CovalentContact SG-SG 2.04Å; C437-C486 PolarHBondContact SG-SG 3.28Å; C437-M539 CarbonylContact O-C 3.52Å; C437-M539 WeakPolarHBondContact O-CA 3.42Å; C437-K540 HydrophobicContact CB-CB 4.3Å; C437-K540 PolarHBondContact N-O 2.86Å; C437-K540 PolarHBondContact O-N 3.39Å; C437-N542 PolarHBondContact SG-ND2 3.07Å; C437-N542 VanDerWaalsContact SG-ND2 3.41Å
438	L	87	Confident	84.8	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.2	178.1	-62.3	167	0	0	0	110.2	L444 E485 M539	L438-L444 WeakPolarHBondContact CD1-O 2.96Å; L438-E485 HydrophobicContact CB-CB 4.33Å; L438-E485 PolarHBondContact N-O 2.74Å; L438-E485 PolarHBondContact O-N 3.38Å; L438-M539 HydrophobicContact CD2-CB 4.07Å; L438-M539 HydrophobicContact CD2-CE 3.89Å; L438-M539 HydrophobicContact CD2-CG 3.91Å
439	T	84.3	Confident	84.8	Confident	38 Å²	38	30.3 Å²	30.3	23%	0.233	16%	0.161	C	C	.	.			trans	-66.2	148.2	168.9	49.6	0	0	0	0	110.7	W403 N441 S442 G537 Y538	W403-T439 HydrophobicContact CE3-CG2 4.27Å; W403-T439 HydrophobicContact CH2-CG2 4.17Å; W403-T439 HydrophobicContact CZ3-CG2 3.84Å; T439-N441 PolarHBondContact O-N 3.29Å; T439-S442 WeakPolarHBondContact O-CB 3.42Å; T439-S442 PolarHBondContact O-N 3.11Å; T439-S442 VanDerWaalsContact O-N 3.14Å; T439-G537 WeakPolarHBondContact OG1-CA 3.41Å; T439-Y538 HydrophobicContact CG2-CD2 4.34Å; T439-Y538 PolarHBondContact N-O 3.29Å; T439-Y538 PolarHBondContact OG1-N 3.49Å; T439-Y538 VanDerWaalsContact OG1-N 3.12Å
440	K	73.8	Confident	84.9	Confident	141 Å²	141	30.2 Å²	30.2	61%	0.613	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	137.9	177	-67.2	-173.5	179.5	-177	0	110.3	S442 P483	K440-S442 VanDerWaalsContact C-N 3.28Å; K440-S442 PolarHBondContact O-N 3.06Å; K440-P483 WeakPolarHBondContact CE-O 3.29Å; K440-P483 PolarHBondContact NZ-O 2.92Å
441	N	70.5	Confident	85	Confident	154 Å²	154	33.3 Å²	33.3	82%	0.824	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	19.9	-175.5	-56	-15.9	0	0	0	115.4	T439 T443	T439-N441 PolarHBondContact O-N 3.29Å; N441-T443 PolarHBondContact O-N 2.88Å
442	S	72.7	Confident	85	Confident	10 Å²	10	33.2 Å²	33.2	7%	0.07	17%	0.172	C	C	.	.			trans	-65.3	130.6	170	172.2	0	0	0	0	110.7	T439 K440 L444 L536	T439-S442 WeakPolarHBondContact O-CB 3.42Å; T439-S442 PolarHBondContact O-N 3.11Å; T439-S442 VanDerWaalsContact O-N 3.14Å; K440-S442 VanDerWaalsContact C-N 3.28Å; K440-S442 PolarHBondContact O-N 3.06Å; S442-L444 WeakPolarHBondContact OG-CB 3.03Å; S442-L444 PolarHBondContact OG-N 2.86Å; S442-L444 VanDerWaalsContact OG-N 3.12Å; S442-L536 PolarHBondContact OG-O 2.92Å
443	T	72.9	Confident	84.9	Confident	61 Å²	61	33.1 Å²	33.1	37%	0.374	17%	0.171	S	C	.	.			trans	-84.9	1.7	171.2	55.3	0	0	0	0	112.1	N441 I512 K513 L536	N441-T443 PolarHBondContact O-N 2.88Å; T443-I512 CarbonylContact O-C 3.58Å; T443-I512 WeakPolarHBondContact O-CA 3.44Å; T443-K513 PolarHBondContact O-N 2.67Å; T443-L536 PolarHBondContact N-O 3.28Å
444	L	76.4	Confident	84.8	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.2	-174.6	-61.7	162.4	0	0	0	113.2	P406 L438 S442 S510 R511 L536 G537	P406-L444 HydrophobicContact CG-CD1 3.42Å; P406-L444 VanDerWaalsContact CG-CD1 3.42Å; L438-L444 WeakPolarHBondContact CD1-O 2.96Å; S442-L444 WeakPolarHBondContact OG-CB 3.03Å; S442-L444 PolarHBondContact OG-N 2.86Å; S442-L444 VanDerWaalsContact OG-N 3.12Å; L444-S510 WeakPolarHBondContact CB-OG 3.4Å; L444-S510 WeakPolarHBondContact CD2-OG 3.07Å; L444-R511 CarbonylContact C-O 3.56Å; L444-R511 VanDerWaalsContact CA-O 3.27Å; L444-R511 WeakPolarHBondContact CA-O 3.4Å; L444-L536 HydrophobicContact CD1-CB 3.9Å; L444-L536 VanDerWaalsContact CD1-O 3.3Å; L444-L536 WeakPolarHBondContact CD1-O 3.32Å; L444-L536 HydrophobicContact CD2-CB 3.82Å; L444-L536 HydrophobicContact CD2-CD1 4.36Å; L444-L536 HydrophobicContact CG-CB 3.93Å; L444-L536 WeakPolarHBondContact CG-O 3.49Å; L444-G537 VanDerWaalsContact CD1-O 3.3Å; L444-G537 WeakPolarHBondContact CD1-O 3.38Å
445	E	77.4	Confident	84.7	Confident	87 Å²	87	32.9 Å²	32.9	41%	0.407	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.4	170.5	-171.7	174.8	-168.2	0	0	110.3	A447 W489 R511 K513	E445-A447 PolarHBondContact O-N 2.98Å; E445-W489 HydrophobicContact CG-CH2 4.43Å; E445-R511 PolarHBondContact N-O 2.99Å; E445-R511 PolarHBondContact O-N 2.82Å; E445-K513 HydrophobicContact CB-CG 4.45Å
446	P	82.1	Confident	84.4	Confident	6 Å²	6	31.3 Å²	31.3	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.5	178.5	30.3	-33.3	0	0	0	110.8	V436 W489 L508 M539	V436-P446 HydrophobicContact CG1-CG 4.38Å; P446-W489 HydrophobicContact CG-CD2 4.34Å; P446-W489 HydrophobicContact CG-CH2 4.15Å; P446-W489 HydrophobicContact CG-CZ2 3.5Å; P446-L508 HydrophobicContact CB-CD1 3.72Å; P446-M539 HydrophobicContact CB-CE 3.93Å; P446-M539 HydrophobicContact CB-SD 4.46Å
447	A	84.6	Confident	83.9	Confident	18 Å²	18	33.3 Å²	33.3	15%	0.149	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118	168.5	0	0	0	0	0	109.4	E445 R509 R511	E445-A447 PolarHBondContact O-N 2.98Å; A447-R509 HydrophobicContact CB-CB 4.31Å; A447-R509 PolarHBondContact N-O 3.4Å; A447-R509 PolarHBondContact O-N 3.32Å; A447-R511 HydrophobicContact CB-CG 4.13Å
448	L	88.4	Confident	83.7	Confident	14 Å²	14	35.3 Å²	35.3	7%	0.073	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.2	-174.3	-62	170.9	0	0	0	110.5	L434 W475 W489 I506 Y507 L508	L434-L448 HydrophobicContact CD1-CD1 4.22Å; L448-W475 HydrophobicContact CB-CH2 4.43Å; L448-W475 HydrophobicContact CB-CZ2 3.66Å; L448-W475 HydrophobicContact CD1-CD2 4.2Å; L448-W475 HydrophobicContact CD1-CE3 4.16Å; L448-W475 HydrophobicContact CD1-CH2 3.8Å; L448-W475 HydrophobicContact CD1-CZ2 3.83Å; L448-W475 HydrophobicContact CD1-CZ3 3.98Å; L448-W475 HydrophobicContact CG-CZ2 4.41Å; L448-W475 PolarHBondContact O-NE1 3.45Å; L448-W489 HydrophobicContact CD1-CB 4.27Å; L448-W489 HydrophobicContact CD1-CE3 4.48Å; L448-I506 HydrophobicContact CB-CG2 4.5Å; L448-I506 HydrophobicContact CD2-CG2 3.9Å; L448-Y507 WeakPolarHBondContact CA-O 3.4Å; L448-L508 HydrophobicContact CD2-CB 4.33Å; L448-L508 HydrophobicContact CD2-CD1 3.58Å
449	T	90.4	Very high	83.5	Confident	35 Å²	35	37.9 Å²	37.9	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.9	170.3	62.7	0	0	0	0	110.6	I506 Y507	T449-I506 WeakPolarHBondContact O-CA 3.48Å; T449-Y507 PolarHBondContact N-O 3.05Å; T449-Y507 PolarHBondContact O-N 2.02Å; T449-Y507 WeakPolarHBondContact OG1-CB 3.41Å
450	L	91.6	Very high	83.5	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.8	-173.3	-62.6	170.7	0	0	0	111.4	I432 I465 W475 L491 I504 I506	I432-L450 HydrophobicContact CG2-CD1 4.05Å; L450-I465 HydrophobicContact CB-CB 4.19Å; L450-I465 HydrophobicContact CB-CD1 3.55Å; L450-I465 HydrophobicContact CB-CG1 4Å; L450-I465 HydrophobicContact CD1-CD1 3.69Å; L450-I465 HydrophobicContact CG-CD1 4.27Å; L450-I465 PolarHBondContact O-N 3.36Å; L450-W475 HydrophobicContact CD1-CH2 4.13Å; L450-W475 HydrophobicContact CD1-CZ2 3.7Å; L450-W475 HydrophobicContact CD2-CZ2 4.3Å; L450-W475 HydrophobicContact CG-CZ2 3.98Å; L450-L491 HydrophobicContact CD1-CD2 3.28Å; L450-I504 HydrophobicContact CD2-CG2 4.14Å; L450-I506 HydrophobicContact CD2-CB 4.08Å; L450-I506 HydrophobicContact CD2-CD1 4.13Å; L450-I506 HydrophobicContact CD2-CG1 3.62Å; L450-I506 HydrophobicContact CD2-CG2 3.84Å
451	Y	92.4	Very high	84.1	Confident	65 Å²	65	35 Å²	35	26%	0.255	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.3	169.4	-69.2	-100.5	0	0	0	108.4	H459 W463 Y464 H505 Y507	Y451-H459 AromaticContact CG-NE2 3.87Å; Y451-W463 CarbonylContact C-O 3.6Å; Y451-W463 VanDerWaalsContact CA-O 3.26Å; Y451-W463 WeakPolarHBondContact CA-O 3.36Å; Y451-Y464 HydrophobicContact CE1-CD2 4.1Å; Y451-Y464 HydrophobicContact CE1-CG 4.35Å; Y451-Y464 HydrophobicContact CE2-CD2 4.02Å; Y451-Y464 AromaticContact CZ-CD2 3.78Å; Y451-H505 PolarHBondContact N-O 3.11Å; Y451-H505 PolarHBondContact O-N 3.21Å; Y451-Y507 AromaticContact CD2-CD2 3.63Å; Y451-Y507 HydrophobicContact CD2-CD2 3.63Å; Y451-Y507 AromaticContact CD2-CE2 3.59Å; Y451-Y507 HydrophobicContact CD2-CE2 3.59Å; Y451-Y507 AromaticContact CE2-CD2 3.6Å; Y451-Y507 HydrophobicContact CE2-CD2 3.6Å; Y451-Y507 AromaticContact CE2-CE2 3.65Å; Y451-Y507 HydrophobicContact CE2-CE2 3.65Å; Y451-Y507 HydrophobicContact CG-CE2 4.45Å
452	I	91.6	Very high	85	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.4	-175.5	-61.9	175.9	0	0	0	109.6	L429 S462 W463 I465 T499 F500 F501	L429-I452 HydrophobicContact CD2-CD1 3.34Å; L429-I452 HydrophobicContact CD2-CG1 4.35Å; I452-S462 CarbonylContact O-C 3.54Å; I452-S462 VanDerWaalsContact O-CA 3.28Å; I452-S462 WeakPolarHBondContact O-CA 3.19Å; I452-W463 HydrophobicContact CD1-CZ2 4.14Å; I452-W463 PolarHBondContact N-O 3.24Å; I452-W463 PolarHBondContact O-N 2.63Å; I452-I465 HydrophobicContact CD1-CD1 3.2Å; I452-I465 HydrophobicContact CD1-CG1 3.75Å; I452-I465 HydrophobicContact CG1-CD1 3.82Å; I452-I465 HydrophobicContact CG1-CG1 4.15Å; I452-T499 HydrophobicContact CD1-CG2 3.54Å; I452-T499 HydrophobicContact CG2-CG2 4.44Å; I452-F500 VanDerWaalsContact CG2-O 3.25Å; I452-F500 WeakPolarHBondContact CG2-O 3.36Å; I452-F501 HydrophobicContact CG2-CB 3.75Å
453	N	91.8	Very high	85.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.3	165.6	-166.4	-47.7	0	0	0	109.1	F455 G456 S458 S462 E502 T503	N453-F455 PolarHBondContact OD1-N 3.4Å; N453-G456 VanDerWaalsContact OD1-CA 3.31Å; N453-G456 WeakPolarHBondContact OD1-CA 3.19Å; N453-G456 PolarHBondContact OD1-N 3.47Å; N453-S458 PolarHBondContact ND2-N 3.36Å; N453-S458 PolarHBondContact ND2-O 2.76Å; N453-S462 WeakPolarHBondContact CB-OG 3.32Å; N453-E502 PolarHBondContact O-N 3.26Å; N453-T503 PolarHBondContact N-O 2.01Å; N453-T503 PolarHBondContact O-N 3.41Å; N453-T503 VanDerWaalsContact O-N 3.12Å
454	P	90	Very high	86.4	Confident	1 Å²	1	30 Å²	30	1%	0.006	17%	0.172	C	C	.	.	S	Bend	trans	-71.3	-33	-174.1	27.3	-34.5	0	0	0	114.4	F500 F501 E502 L601 L642	P454-F500 HydrophobicContact CB-CB 3.59Å; P454-F501 CarbonylContact O-C 3.27Å; P454-E502 PolarHBondContact O-N 3.06Å; P454-L601 HydrophobicContact CB-CD2 4.28Å; P454-L601 HydrophobicContact CG-CD2 3.87Å; P454-L642 HydrophobicContact CG-CD2 3.99Å
455	F	89	Confident	87	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.013	17%	0.171	C	C	.	.	S	Bend	trans	-141	-0.5	-169.4	-58.9	-64	0	0	0	115.2	V426 N453 F500 E502 L601 C604 L605 H608 R609	V426-F455 HydrophobicContact CG1-CD1 4.44Å; V426-F455 HydrophobicContact CG1-CE1 3.79Å; V426-F455 HydrophobicContact CG2-CE1 4.48Å; N453-F455 PolarHBondContact OD1-N 3.4Å; F455-F500 HydrophobicContact CE1-CB 4.38Å; F455-F500 AromaticContact CE1-CD1 3.96Å; F455-F500 HydrophobicContact CE1-CD1 3.96Å; F455-F500 HydrophobicContact CE1-CE1 4.35Å; F455-F500 HydrophobicContact CE1-CG 4.14Å; F455-F500 HydrophobicContact CZ-CB 4.15Å; F455-F500 HydrophobicContact CZ-CD1 4.01Å; F455-F500 HydrophobicContact CZ-CD2 4.01Å; F455-F500 HydrophobicContact CZ-CE1 4.33Å; F455-F500 HydrophobicContact CZ-CE2 4.33Å; F455-F500 AromaticContact CZ-CG 3.8Å; F455-F500 HydrophobicContact CZ-CG 3.8Å; F455-F500 HydrophobicContact CZ-CZ 4.49Å; F455-E502 VanDerWaalsContact C-OE2 3.26Å; F455-L601 HydrophobicContact CE2-CB 4.15Å; F455-L601 VanDerWaalsContact CE2-O 3.31Å; F455-L601 WeakPolarHBondContact CE2-O 3.41Å; F455-C604 HydrophobicContact CD2-CB 3.72Å; F455-C604 HydrophobicContact CE2-CB 4.38Å; F455-L605 HydrophobicContact CD2-CB 4.05Å; F455-L605 HydrophobicContact CE1-CB 4.33Å; F455-L605 HydrophobicContact CE1-CD1 3.9Å; F455-L605 HydrophobicContact CE1-CG 4.41Å; F455-L605 HydrophobicContact CE2-CB 3.85Å; F455-L605 HydrophobicContact CG-CB 4.38Å; F455-L605 HydrophobicContact CZ-CB 4Å; F455-L605 HydrophobicContact CZ-CD1 3.89Å; F455-L605 HydrophobicContact CZ-CG 4.44Å; F455-H608 HydrophobicContact CB-CB 4.09Å; F455-H608 WeakPolarHBondContact O-CB 2.83Å; F455-R609 HydrophobicContact CB-CG 4.06Å; F455-R609 HydrophobicContact CD1-CG 3.93Å; F455-R609 HydrophobicContact CG-CG 4.27Å
456	G	84.9	Confident	87.4	Confident	7 Å²	7	26.6 Å²	26.6	7%	0.072	16%	0.157	C	C	.	.	S	Bend	trans	-133.6	-160.8	-176.1	0	0	0	0	0	112.1	N453 T503	N453-G456 VanDerWaalsContact OD1-CA 3.31Å; N453-G456 WeakPolarHBondContact OD1-CA 3.19Å; N453-G456 PolarHBondContact OD1-N 3.47Å; G456-T503 WeakPolarHBondContact O-CB 3.06Å; G456-T503 PolarHBondContact O-OG1 2.86Å
457	G	81.1	Confident	87.5	Confident	44 Å²	44	27.3 Å²	27.3	45%	0.454	16%	0.162	S	C	.	.			trans	-132	5.6	178.4	0	0	0	0	0	114.6	T503	G457-T503 WeakPolarHBondContact CA-OG1 3.5Å
458	S	83.8	Confident	87.5	Confident	45 Å²	45	31.8 Å²	31.8	32%	0.315	18%	0.183	S	C	.	.			trans	-81.4	132.7	179.1	-171.9	0	0	0	0	110.8	N453 S460 E461 S462	N453-S458 PolarHBondContact ND2-N 3.36Å; N453-S458 PolarHBondContact ND2-O 2.76Å; S458-S460 VanDerWaalsContact C-N 3.27Å; S458-S460 PolarHBondContact O-N 3.41Å; S458-S460 PolarHBondContact OG-N 3.13Å; S458-S460 PolarHBondContact OG-OG 3.43Å; S458-E461 WeakPolarHBondContact CB-OE2 3.45Å; S458-E461 PolarHBondContact O-N 2.87Å; S458-S462 PolarHBondContact O-OG 2.99Å
459	H	83.3	Confident	87.2	Confident	62 Å²	62	35.9 Å²	35.9	29%	0.287	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-64.7	-32.4	172.1	-175.7	-84.5	0	0	0	112.1	Y451 E461 S462 H505 Y507	Y451-H459 AromaticContact CG-NE2 3.87Å; H459-E461 VanDerWaalsContact C-N 3.26Å; H459-E461 PolarHBondContact O-N 2.79Å; H459-S462 VanDerWaalsContact O-CB 3.31Å; H459-S462 WeakPolarHBondContact O-CB 3.33Å; H459-S462 PolarHBondContact O-N 3.45Å; H459-S462 PolarHBondContact O-OG 3.23Å; H459-H505 AromaticContact CD2-CD2 3.84Å; H459-H505 AromaticContact CD2-CG 3.83Å; H459-Y507 AromaticContact CD2-CZ 3.99Å; H459-Y507 PolarHBondContact CD2-OH 3.05Å; H459-Y507 VanDerWaalsContact CD2-OH 3.23Å; H459-Y507 AromaticContact CE1-CE2 3.95Å; H459-Y507 AromaticContact CE1-CZ 3.96Å; H459-Y507 PolarHBondContact CE1-OH 3.27Å; H459-Y507 AromaticContact NE2-CE2 3.14Å; H459-Y507 WeakPolarHBondContact NE2-CE2 3.4Å; H459-Y507 AromaticContact NE2-CZ 3.34Å; H459-Y507 VanDerWaalsContact NE2-CZ 3.34Å; H459-Y507 PolarHBondContact NE2-OH 3.1Å
460	S	84.9	Confident	86.6	Confident	99 Å²	99	41.1 Å²	41.1	69%	0.692	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-69.1	-24.7	-179	62.3	0	0	0	0	113.5	S458 S462	S458-S460 VanDerWaalsContact C-N 3.27Å; S458-S460 PolarHBondContact O-N 3.41Å; S458-S460 PolarHBondContact OG-N 3.13Å; S458-S460 PolarHBondContact OG-OG 3.43Å; S460-S462 VanDerWaalsContact C-N 3.33Å
461	E	86.8	Confident	86	Confident	18 Å²	18	43.9 Å²	43.9	8%	0.084	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-100.8	21.9	178.9	-61.5	168.4	152.3	0	0	110.7	S458 H459 R607 H608	S458-E461 WeakPolarHBondContact CB-OE2 3.45Å; S458-E461 PolarHBondContact O-N 2.87Å; H459-E461 VanDerWaalsContact C-N 3.26Å; H459-E461 PolarHBondContact O-N 2.79Å; E461-R607 IonicContact OE1-NE 3.23Å; E461-R607 IonicContact OE1-NH2 3.9Å; E461-H608 IonicContact OE1-CE1 2.92Å; E461-H608 IonicContact OE1-NE2 2.76Å; E461-H608 IonicContact OE2-CE1 3.93Å; E461-H608 PolarHBondContact OE2-CE1 2.92Å; E461-H608 IonicContact OE2-NE2 3.61Å; E461-H608 PolarHBondContact OE2-NE2 2.74Å
462	S	88.1	Confident	85.6	Confident	15 Å²	15	41.4 Å²	41.4	11%	0.105	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-101.9	141.1	177.9	-57	0	0	0	0	110.8	I452 N453 S458 H459 S460 H505	I452-S462 CarbonylContact O-C 3.54Å; I452-S462 VanDerWaalsContact O-CA 3.28Å; I452-S462 WeakPolarHBondContact O-CA 3.19Å; N453-S462 WeakPolarHBondContact CB-OG 3.32Å; S458-S462 PolarHBondContact O-OG 2.99Å; H459-S462 VanDerWaalsContact O-CB 3.31Å; H459-S462 WeakPolarHBondContact O-CB 3.33Å; H459-S462 PolarHBondContact O-N 3.45Å; H459-S462 PolarHBondContact O-OG 3.23Å; S460-S462 VanDerWaalsContact C-N 3.33Å; S462-H505 PolarHBondContact OG-CD2 3.34Å
463	W	87.6	Confident	85.4	Confident	20 Å²	20	42.8 Å²	42.8	8%	0.076	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	147.7	174.9	76.3	-85.7	0	0	0	110.8	Y451 I452 I465 F472 T499 P593 M599 L642	Y451-W463 CarbonylContact C-O 3.6Å; Y451-W463 VanDerWaalsContact CA-O 3.26Å; Y451-W463 WeakPolarHBondContact CA-O 3.36Å; I452-W463 HydrophobicContact CD1-CZ2 4.14Å; I452-W463 PolarHBondContact N-O 3.24Å; I452-W463 PolarHBondContact O-N 2.63Å; W463-I465 HydrophobicContact CH2-CB 4.43Å; W463-I465 HydrophobicContact CH2-CG1 3.82Å; W463-I465 HydrophobicContact CZ2-CG1 4.11Å; W463-I465 HydrophobicContact CZ3-CB 4.48Å; W463-I465 HydrophobicContact CZ3-CG1 4.18Å; W463-F472 HydrophobicContact CH2-CE1 4.34Å; W463-F472 HydrophobicContact CH2-CZ 4.44Å; W463-F472 HydrophobicContact CZ3-CZ 4.46Å; W463-T499 HydrophobicContact CZ2-CG2 3.88Å; W463-T499 PolarHBondContact NE1-OG1 3.45Å; W463-P593 HydrophobicContact CD2-CB 4.22Å; W463-P593 HydrophobicContact CD2-CG 3.56Å; W463-P593 HydrophobicContact CE3-CB 3.95Å; W463-P593 HydrophobicContact CE3-CG 3.81Å; W463-P593 HydrophobicContact CG-CG 4.26Å; W463-P593 HydrophobicContact CH2-CB 3.45Å; W463-P593 VanDerWaalsContact CH2-CB 3.45Å; W463-P593 HydrophobicContact CH2-CG 3.58Å; W463-P593 HydrophobicContact CZ2-CB 3.71Å; W463-P593 HydrophobicContact CZ2-CG 3.26Å; W463-P593 HydrophobicContact CZ3-CB 3.57Å; W463-P593 HydrophobicContact CZ3-CG 3.83Å; W463-M599 HydrophobicContact CB-CE 3.79Å; W463-L642 HydrophobicContact CB-CD1 4.26Å
464	Y	88.3	Confident	85.3	Confident	86 Å²	86	46.5 Å²	46.5	34%	0.337	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.6	-177.3	168.7	-109.2	0	0	0	111.5	Y451 P466	Y451-Y464 HydrophobicContact CE1-CD2 4.1Å; Y451-Y464 HydrophobicContact CE1-CG 4.35Å; Y451-Y464 HydrophobicContact CE2-CD2 4.02Å; Y451-Y464 AromaticContact CZ-CD2 3.78Å; Y464-P466 HydrophobicContact CD1-CB 4.25Å; Y464-P466 VanDerWaalsContact CE1-CA 3.47Å; Y464-P466 HydrophobicContact CE1-CB 3.82Å; Y464-P466 WeakPolarHBondContact O-CD 3.38Å
465	I	88.3	Confident	85.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-84.1	116.9	171.5	-52.1	177.2	0	0	0	109.5	L450 I452 W463 V467 F472	L450-I465 HydrophobicContact CB-CB 4.19Å; L450-I465 HydrophobicContact CB-CD1 3.55Å; L450-I465 HydrophobicContact CB-CG1 4Å; L450-I465 HydrophobicContact CD1-CD1 3.69Å; L450-I465 HydrophobicContact CG-CD1 4.27Å; L450-I465 PolarHBondContact O-N 3.36Å; I452-I465 HydrophobicContact CD1-CD1 3.2Å; I452-I465 HydrophobicContact CD1-CG1 3.75Å; I452-I465 HydrophobicContact CG1-CD1 3.82Å; I452-I465 HydrophobicContact CG1-CG1 4.15Å; W463-I465 HydrophobicContact CH2-CB 4.43Å; W463-I465 HydrophobicContact CH2-CG1 3.82Å; W463-I465 HydrophobicContact CZ2-CG1 4.11Å; W463-I465 HydrophobicContact CZ3-CB 4.48Å; W463-I465 HydrophobicContact CZ3-CG1 4.18Å; I465-V467 VanDerWaalsContact C-N 3.3Å; I465-V467 HydrophobicContact CG2-CG2 4.14Å; I465-V467 PolarHBondContact O-N 3.02Å; I465-F472 HydrophobicContact CG2-CD1 3.86Å; I465-F472 HydrophobicContact CG2-CE1 3.95Å
466	P	86.8	Confident	85.3	Confident	18 Å²	18	54 Å²	54	12%	0.117	31%	0.308	C	S	.	.			trans	-84	74.5	-177.8	38	-36.8	0	0	0	110.3	Y464 N468 E469 F472	Y464-P466 HydrophobicContact CD1-CB 4.25Å; Y464-P466 VanDerWaalsContact CE1-CA 3.47Å; Y464-P466 HydrophobicContact CE1-CB 3.82Å; Y464-P466 WeakPolarHBondContact O-CD 3.38Å; P466-N468 PolarHBondContact O-N 2.98Å; P466-E469 HydrophobicContact CB-CB 4.02Å; P466-E469 PolarHBondContact O-N 3.21Å; P466-E469 VanDerWaalsContact O-N 3.13Å; P466-F472 HydrophobicContact CG-CD1 4.46Å; P466-F472 HydrophobicContact CG-CD2 3.59Å; P466-F472 HydrophobicContact CG-CE1 4.46Å; P466-F472 HydrophobicContact CG-CE2 3.55Å; P466-F472 HydrophobicContact CG-CG 4.05Å; P466-F472 HydrophobicContact CG-CZ 4.02Å; P466-F472 WeakPolarHBondContact O-CB 3.34Å
467	V	84.7	Confident	85.4	Confident	22 Å²	22	56.2 Å²	56.2	13%	0.133	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	131.5	-178.2	-178.9	0	0	0	0	110.4	I465 E469 P473 L491	I465-V467 VanDerWaalsContact C-N 3.3Å; I465-V467 HydrophobicContact CG2-CG2 4.14Å; I465-V467 PolarHBondContact O-N 3.02Å; V467-E469 PolarHBondContact O-N 3.1Å; V467-P473 WeakPolarHBondContact CG1-O 3.15Å; V467-L491 HydrophobicContact CG1-CD1 4.27Å; V467-L491 HydrophobicContact CG2-CD2 4.25Å
468	N	83.4	Confident	85.6	Confident	112 Å²	112	57.7 Å²	57.7	60%	0.599	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	15.8	-176.7	-160.8	28.8	0	0	0	115.6	P466 P473 D474	P466-N468 PolarHBondContact O-N 2.98Å; N468-P473 PolarHBondContact N-O 3.25Å; N468-D474 HydrophobicContact CB-CB 3.99Å
469	E	82.4	Confident	85.7	Confident	100 Å²	100	62.2 Å²	62.2	47%	0.467	34%	0.34	S	S	.	.	S	Bend	trans	-117.4	149.4	176	-65.5	176.5	-173	0	0	110.6	P466 V467 G471 F472	P466-E469 HydrophobicContact CB-CB 4.02Å; P466-E469 PolarHBondContact O-N 3.21Å; P466-E469 VanDerWaalsContact O-N 3.13Å; V467-E469 PolarHBondContact O-N 3.1Å; E469-G471 PolarHBondContact O-N 3.39Å; E469-F472 WeakPolarHBondContact O-CB 3.4Å; E469-F472 WeakPolarHBondContact O-CD2 3.39Å; E469-F472 PolarHBondContact O-N 2.8Å
470	N	77.8	Confident	85.7	Confident	144 Å²	144	61.1 Å²	61.1	77%	0.77	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	28	174.2	-58.6	-36.2	0	0	0	115.4
471	G	79	Confident	85.1	Confident	59 Å²	59	64.7 Å²	64.7	61%	0.608	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	10.4	-178.8	0	0	0	0	0	115.3	E469 W497	E469-G471 PolarHBondContact O-N 3.39Å; G471-W497 VanDerWaalsContact O-CZ2 3.26Å; G471-W497 WeakPolarHBondContact O-CZ2 3.34Å; G471-W497 PolarHBondContact O-NE1 3.18Å
472	F	84.8	Confident	84.3	Confident	13 Å²	13	67.9 Å²	67.9	6%	0.057	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-67.9	148.6	167.4	-87.6	-100.8	0	0	0	111.4	W463 I465 P466 E469 W497	W463-F472 HydrophobicContact CH2-CE1 4.34Å; W463-F472 HydrophobicContact CH2-CZ 4.44Å; W463-F472 HydrophobicContact CZ3-CZ 4.46Å; I465-F472 HydrophobicContact CG2-CD1 3.86Å; I465-F472 HydrophobicContact CG2-CE1 3.95Å; P466-F472 HydrophobicContact CG-CD1 4.46Å; P466-F472 HydrophobicContact CG-CD2 3.59Å; P466-F472 HydrophobicContact CG-CE1 4.46Å; P466-F472 HydrophobicContact CG-CE2 3.55Å; P466-F472 HydrophobicContact CG-CG 4.05Å; P466-F472 HydrophobicContact CG-CZ 4.02Å; P466-F472 WeakPolarHBondContact O-CB 3.34Å; E469-F472 WeakPolarHBondContact O-CB 3.4Å; E469-F472 WeakPolarHBondContact O-CD2 3.39Å; E469-F472 PolarHBondContact O-N 2.8Å; F472-W497 HydrophobicContact CD1-CD2 4.21Å; F472-W497 HydrophobicContact CD1-CE3 4.2Å; F472-W497 HydrophobicContact CD1-CG 4.35Å; F472-W497 HydrophobicContact CD2-CD2 4.37Å; F472-W497 AromaticContact CD2-CE3 3.94Å; F472-W497 HydrophobicContact CD2-CE3 3.94Å; F472-W497 AromaticContact CD2-CH2 3.95Å; F472-W497 HydrophobicContact CD2-CH2 3.95Å; F472-W497 HydrophobicContact CD2-CZ2 4.39Å; F472-W497 AromaticContact CD2-CZ3 3.69Å; F472-W497 HydrophobicContact CD2-CZ3 3.69Å; F472-W497 HydrophobicContact CE1-CB 4.2Å; F472-W497 HydrophobicContact CE1-CD2 4.1Å; F472-W497 AromaticContact CE1-CE3 3.73Å; F472-W497 HydrophobicContact CE1-CE3 3.73Å; F472-W497 HydrophobicContact CE1-CG 4.32Å; F472-W497 HydrophobicContact CE1-CZ3 4.37Å; F472-W497 HydrophobicContact CE2-CD2 4.29Å; F472-W497 AromaticContact CE2-CE3 3.46Å; F472-W497 HydrophobicContact CE2-CE3 3.46Å; F472-W497 VanDerWaalsContact CE2-CE3 3.46Å; F472-W497 AromaticContact CE2-CH2 3.93Å; F472-W497 HydrophobicContact CE2-CH2 3.93Å; F472-W497 AromaticContact CE2-CZ3 3.22Å; F472-W497 HydrophobicContact CE2-CZ3 3.22Å; F472-W497 HydrophobicContact CG-CD2 4.35Å; F472-W497 HydrophobicContact CG-CE3 4.31Å; F472-W497 HydrophobicContact CG-CZ3 4.45Å; F472-W497 HydrophobicContact CZ-CD2 4.15Å; F472-W497 AromaticContact CZ-CE3 3.34Å; F472-W497 HydrophobicContact CZ-CE3 3.34Å; F472-W497 AromaticContact CZ-CZ3 3.62Å; F472-W497 HydrophobicContact CZ-CZ3 3.62Å
473	P	87.4	Confident	83.1	Confident	29 Å²	29	71.6 Å²	71.6	19%	0.188	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-66.4	150	177.2	29.6	-35.8	0	0	0	111.5	V467 N468 L491 T492 L493	V467-P473 WeakPolarHBondContact CG1-O 3.15Å; N468-P473 PolarHBondContact N-O 3.25Å; P473-L491 HydrophobicContact CB-CD1 4.27Å; P473-L491 HydrophobicContact CG-CD1 4.01Å; P473-L491 WeakPolarHBondContact O-CD1 3.27Å; P473-T492 WeakPolarHBondContact CB-O 3.33Å; P473-T492 VanDerWaalsContact CG-O 3.23Å; P473-T492 WeakPolarHBondContact CG-O 3.3Å; P473-L493 HydrophobicContact CG-CD2 3.98Å
474	D	88.8	Confident	82.3	Confident	78 Å²	78	75.4 Å²	75.4	42%	0.417	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-95.8	163.6	171.6	-163.6	13.8	0	0	0	111.7	N468	N468-D474 HydrophobicContact CB-CB 3.99Å
475	W	89.3	Confident	82.1	Confident	27 Å²	27	73.7 Å²	73.7	10%	0.102	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-66	129.4	173.6	-71.4	100	0	0	0	111.3	I432 L434 L448 L450 W489 L491	I432-W475 HydrophobicContact CG2-CH2 3.63Å; I432-W475 HydrophobicContact CG2-CZ3 4.04Å; L434-W475 HydrophobicContact CD1-CH2 3.57Å; L434-W475 HydrophobicContact CD1-CZ3 3.64Å; L448-W475 HydrophobicContact CB-CH2 4.43Å; L448-W475 HydrophobicContact CB-CZ2 3.66Å; L448-W475 HydrophobicContact CD1-CD2 4.2Å; L448-W475 HydrophobicContact CD1-CE3 4.16Å; L448-W475 HydrophobicContact CD1-CH2 3.8Å; L448-W475 HydrophobicContact CD1-CZ2 3.83Å; L448-W475 HydrophobicContact CD1-CZ3 3.98Å; L448-W475 HydrophobicContact CG-CZ2 4.41Å; L448-W475 PolarHBondContact O-NE1 3.45Å; L450-W475 HydrophobicContact CD1-CH2 4.13Å; L450-W475 HydrophobicContact CD1-CZ2 3.7Å; L450-W475 HydrophobicContact CD2-CZ2 4.3Å; L450-W475 HydrophobicContact CG-CZ2 3.98Å; W475-W489 HydrophobicContact CB-CE3 3.84Å; W475-W489 HydrophobicContact CB-CZ3 4.12Å; W475-W489 HydrophobicContact CE3-CB 4.03Å; W475-W489 HydrophobicContact CG-CE3 4.23Å; W475-W489 HydrophobicContact CZ3-CB 4.32Å; W475-L491 HydrophobicContact CD2-CB 4.04Å; W475-L491 HydrophobicContact CE3-CB 3.74Å; W475-L491 HydrophobicContact CH2-CB 3.98Å; W475-L491 HydrophobicContact CZ2-CB 4.27Å; W475-L491 HydrophobicContact CZ2-CD2 4.27Å; W475-L491 HydrophobicContact CZ3-CB 3.71Å
476	K	89.1	Confident	82	Confident	135 Å²	135	73.7 Å²	73.7	59%	0.587	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.5	171.6	-66.2	-179	-178.4	176.5	0	109.9	N488 T490	K476-N488 VanDerWaalsContact O-O 3.06Å; K476-T490 PolarHBondContact N-O 3.09Å; K476-T490 PolarHBondContact O-N 3.21Å; K476-T490 PolarHBondContact O-OG1 3.22Å; K476-T490 VanDerWaalsContact O-OG1 3.13Å
477	A	87.5	Confident	82.1	Confident	53 Å²	53	75.5 Å²	75.5	44%	0.438	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.3	175.3	0	0	0	0	0	110.8	N488 W489	A477-N488 CarbonylContact C-O 3.6Å; A477-N488 WeakPolarHBondContact CA-O 3.37Å; A477-W489 HydrophobicContact CB-CD2 4.2Å; A477-W489 HydrophobicContact CB-CH2 4.44Å; A477-W489 HydrophobicContact CB-CZ2 4.12Å
478	T	86.6	Confident	82.3	Confident	76 Å²	76	76.4 Å²	76.4	47%	0.466	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.8	174.2	60.1	0	0	0	0	110.3	Y487 N488	T478-Y487 CarbonylContact O-C 3.59Å; T478-Y487 WeakPolarHBondContact O-CA 2.91Å; T478-N488 PolarHBondContact N-O 2.89Å; T478-N488 PolarHBondContact O-N 3.28Å
479	K	84.6	Confident	82.7	Confident	139 Å²	139	72.6 Å²	72.6	60%	0.604	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	140.7	179.6	-169.3	174.5	179	178.1	0	111.2	Y487	K479-Y487 HydrophobicContact CB-CD1 3.84Å; K479-Y487 HydrophobicContact CB-CE1 3.69Å; K479-Y487 HydrophobicContact CD-CE1 4.17Å; K479-Y487 HydrophobicContact CG-CD1 4.23Å; K479-Y487 HydrophobicContact CG-CE1 3.82Å
480	L	83.9	Confident	83.1	Confident	39 Å²	39	69.4 Å²	69.4	20%	0.204	38%	0.375	C	S	.	.			trans	-100.7	142.2	174.8	-64.8	173.1	0	0	0	110.8	Q435 L482 C486	Q435-L480 HydrophobicContact CG-CD1 3.82Å; L480-L482 HydrophobicContact CB-CD1 4.12Å; L480-L482 HydrophobicContact CB-CG 4.3Å; L480-L482 HydrophobicContact CD1-CD1 4.21Å; L480-L482 PolarHBondContact O-N 2.84Å; L480-C486 HydrophobicContact CB-CB 4.14Å; L480-C486 HydrophobicContact CD1-CB 4.08Å; L480-C486 PolarHBondContact N-O 2.94Å
481	D	71.6	Confident	83.7	Confident	174 Å²	174	62.7 Å²	62.7	93%	0.93	34%	0.339	S	S	*	.	S	Bend	trans	-75.6	67.4	176.1	-68.9	-29.1	0	0	0	111.2
482	L	70.6	Confident	84.2	Confident	86 Å²	86	62.1 Å²	62.1	45%	0.45	32%	0.323	S	S	.	.	S	Bend	trans	-123.1	157.2	178.3	-70.6	171.8	0	0	0	109.9	L480 F484 C486	L480-L482 HydrophobicContact CB-CD1 4.12Å; L480-L482 HydrophobicContact CB-CG 4.3Å; L480-L482 HydrophobicContact CD1-CD1 4.21Å; L480-L482 PolarHBondContact O-N 2.84Å; L482-F484 PolarHBondContact O-N 2.76Å; L482-F484 VanDerWaalsContact O-N 3.11Å; L482-C486 HydrophobicContact CD1-CB 4.01Å
483	P	63.8	Low	84.3	Confident	92 Å²	92	61.9 Å²	61.9	60%	0.597	32%	0.323	S	S	*	.	S	Bend	trans	-65.2	-13.5	179.7	23.8	-33.1	0	0	0	114.1	K440	K440-P483 WeakPolarHBondContact CE-O 3.29Å; K440-P483 PolarHBondContact NZ-O 2.92Å
484	F	70.8	Confident	84.1	Confident	101 Å²	101	61.3 Å²	61.3	44%	0.443	32%	0.322	S	S	.	.	S	Bend	trans	-105.4	161.1	174.7	-60.5	-76.4	0	0	0	110.7	W403 L482 C486	W403-F484 HydrophobicContact CH2-CD1 4.41Å; W403-F484 HydrophobicContact CZ2-CD1 4.3Å; W403-F484 HydrophobicContact CZ2-CE1 4.45Å; W403-F484 HydrophobicContact CZ2-CG 4.44Å; L482-F484 PolarHBondContact O-N 2.76Å; L482-F484 VanDerWaalsContact O-N 3.11Å; F484-C486 PolarHBondContact O-N 3.18Å
485	E	82.2	Confident	83.8	Confident	49 Å²	49	59.6 Å²	59.6	23%	0.229	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	79	174.6	-73.2	-171.2	-153.6	0	0	110.5	L438 Y487	L438-E485 HydrophobicContact CB-CB 4.33Å; L438-E485 PolarHBondContact N-O 2.74Å; L438-E485 PolarHBondContact O-N 3.38Å; E485-Y487 HydrophobicContact CB-CE2 4.02Å
486	C	87.6	Confident	83.4	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.014	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.9	178.8	-63.8	0	0	0	0	111.4	V436 C437 L480 L482 F484	V436-C486 CarbonylContact O-C 3.59Å; V436-C486 WeakPolarHBondContact O-CA 3.33Å; C437-C486 HydrophobicContact CB-CB 4.12Å; C437-C486 WeakPolarHBondContact CB-SG 3.32Å; C437-C486 WeakPolarHBondContact SG-CB 3.49Å; C437-C486 CovalentContact SG-SG 2.04Å; C437-C486 PolarHBondContact SG-SG 3.28Å; L480-C486 HydrophobicContact CB-CB 4.14Å; L480-C486 HydrophobicContact CD1-CB 4.08Å; L480-C486 PolarHBondContact N-O 2.94Å; L482-C486 HydrophobicContact CD1-CB 4.01Å; F484-C486 PolarHBondContact O-N 3.18Å
487	Y	88.6	Confident	83.2	Confident	56 Å²	56	60.9 Å²	60.9	22%	0.22	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.6	178.9	-58.6	-92.5	0	0	0	110.3	V436 T478 K479 E485	V436-Y487 PolarHBondContact N-O 3.43Å; V436-Y487 PolarHBondContact O-N 3.21Å; T478-Y487 CarbonylContact O-C 3.59Å; T478-Y487 WeakPolarHBondContact O-CA 2.91Å; K479-Y487 HydrophobicContact CB-CD1 3.84Å; K479-Y487 HydrophobicContact CB-CE1 3.69Å; K479-Y487 HydrophobicContact CD-CE1 4.17Å; K479-Y487 HydrophobicContact CG-CD1 4.23Å; K479-Y487 HydrophobicContact CG-CE1 3.82Å; E485-Y487 HydrophobicContact CB-CE2 4.02Å
488	N	89.7	Confident	83.2	Confident	41 Å²	41	60.4 Å²	60.4	22%	0.219	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.4	164.2	-73	-16	0	0	0	108.7	L434 Q435 K476 A477 T478 T490	L434-N488 WeakPolarHBondContact O-CA 3.34Å; Q435-N488 WeakPolarHBondContact CB-OD1 3.43Å; Q435-N488 WeakPolarHBondContact CG-OD1 3.17Å; K476-N488 VanDerWaalsContact O-O 3.06Å; A477-N488 CarbonylContact C-O 3.6Å; A477-N488 WeakPolarHBondContact CA-O 3.37Å; T478-N488 PolarHBondContact N-O 2.89Å; T478-N488 PolarHBondContact O-N 3.28Å; N488-T490 HydrophobicContact CB-CG2 4.49Å
489	W	90.4	Very high	83.3	Confident	31 Å²	31	56.9 Å²	56.9	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.5	174.6	-72.5	74.8	0	0	0	108.1	S433 L434 V436 E445 P446 L448 W475 A477	S433-W489 CarbonylContact C-O 3.56Å; S433-W489 VanDerWaalsContact CA-O 3.31Å; S433-W489 WeakPolarHBondContact CA-O 3.22Å; L434-W489 PolarHBondContact N-O 2.88Å; L434-W489 PolarHBondContact O-N 3.49Å; V436-W489 HydrophobicContact CG2-CG 4.45Å; E445-W489 HydrophobicContact CG-CH2 4.43Å; P446-W489 HydrophobicContact CG-CD2 4.34Å; P446-W489 HydrophobicContact CG-CH2 4.15Å; P446-W489 HydrophobicContact CG-CZ2 3.5Å; L448-W489 HydrophobicContact CD1-CB 4.27Å; L448-W489 HydrophobicContact CD1-CE3 4.48Å; W475-W489 HydrophobicContact CB-CE3 3.84Å; W475-W489 HydrophobicContact CB-CZ3 4.12Å; W475-W489 HydrophobicContact CE3-CB 4.03Å; W475-W489 HydrophobicContact CG-CE3 4.23Å; W475-W489 HydrophobicContact CZ3-CB 4.32Å; A477-W489 HydrophobicContact CB-CD2 4.2Å; A477-W489 HydrophobicContact CB-CH2 4.44Å; A477-W489 HydrophobicContact CB-CZ2 4.12Å
490	T	90.5	Very high	83.6	Confident	34 Å²	34	50.2 Å²	50.2	21%	0.209	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.7	-175.2	56	0	0	0	0	110.8	I432 S433 K476 N488	I432-T490 WeakPolarHBondContact O-CA 3.32Å; S433-T490 WeakPolarHBondContact OG-CG2 3.32Å; K476-T490 PolarHBondContact N-O 3.09Å; K476-T490 PolarHBondContact O-N 3.21Å; K476-T490 PolarHBondContact O-OG1 3.22Å; K476-T490 VanDerWaalsContact O-OG1 3.13Å; N488-T490 HydrophobicContact CB-CG2 4.49Å
491	L	91.2	Very high	83.9	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.9	171.6	-179	71.2	0	0	0	108.6	G431 I432 L450 V467 P473 W475 L493	G431-L491 CarbonylContact C-O 3.59Å; G431-L491 WeakPolarHBondContact CA-O 3.35Å; I432-L491 HydrophobicContact CG2-CB 3.91Å; I432-L491 HydrophobicContact CG2-CD2 4.39Å; I432-L491 PolarHBondContact N-O 3.36Å; I432-L491 PolarHBondContact O-N 2.96Å; L450-L491 HydrophobicContact CD1-CD2 3.28Å; V467-L491 HydrophobicContact CG1-CD1 4.27Å; V467-L491 HydrophobicContact CG2-CD2 4.25Å; P473-L491 HydrophobicContact CB-CD1 4.27Å; P473-L491 HydrophobicContact CG-CD1 4.01Å; P473-L491 WeakPolarHBondContact O-CD1 3.27Å; W475-L491 HydrophobicContact CD2-CB 4.04Å; W475-L491 HydrophobicContact CE3-CB 3.74Å; W475-L491 HydrophobicContact CH2-CB 3.98Å; W475-L491 HydrophobicContact CZ2-CB 4.27Å; W475-L491 HydrophobicContact CZ2-CD2 4.27Å; W475-L491 HydrophobicContact CZ3-CB 3.71Å; L491-L493 HydrophobicContact CD2-CD2 4.31Å; L491-L493 HydrophobicContact CG-CD2 4.4Å
492	T	89.4	Confident	84.9	Confident	47 Å²	47	41.2 Å²	41.2	29%	0.288	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.4	-176.4	54.5	0	0	0	0	110.6	P473	P473-T492 WeakPolarHBondContact CB-O 3.33Å; P473-T492 VanDerWaalsContact CG-O 3.23Å; P473-T492 WeakPolarHBondContact CG-O 3.3Å
493	L	86.9	Confident	85.9	Confident	9 Å²	9	37.3 Å²	37.3	5%	0.047	19%	0.187	C	C	.	.			trans	-79.7	-38	179.8	-60.1	175.2	0	0	0	112.2	L429 L430 P473 L491 W497	L429-L493 HydrophobicContact CD2-CD1 3.86Å; L429-L493 HydrophobicContact CG-CD1 4.01Å; L430-L493 WeakPolarHBondContact O-CA 3.31Å; L430-L493 WeakPolarHBondContact O-CB 3.42Å; L430-L493 PolarHBondContact O-N 3.38Å; P473-L493 HydrophobicContact CG-CD2 3.98Å; L491-L493 HydrophobicContact CD2-CD2 4.31Å; L491-L493 HydrophobicContact CG-CD2 4.4Å; L493-W497 HydrophobicContact CB-CB 3.98Å; L493-W497 HydrophobicContact CD2-CB 4.17Å
494	G	83.1	Confident	87.3	Confident	17 Å²	17	33 Å²	33	18%	0.175	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-164.4	-176	0	0	0	0	0	113.1	L430 K498	L430-G494 PolarHBondContact O-N 2.98Å; L430-G494 VanDerWaalsContact O-N 3.16Å; G494-K498 PolarHBondContact O-N 2.96Å
495	N	81.8	Confident	88.4	Confident	41 Å²	41	28.6 Å²	28.6	22%	0.219	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-28.1	-178.6	-90.1	-25.8	0	0	0	113.8	L371 D373 L376 K498	L371-N495 PolarHBondContact O-ND2 2.74Å; L371-N495 VanDerWaalsContact O-ND2 3.16Å; D373-N495 WeakPolarHBondContact OD1-CB 3.37Å; D373-N495 PolarHBondContact OD1-ND2 2.95Å; L376-N495 HydrophobicContact CD2-CB 4.09Å; L376-N495 WeakPolarHBondContact CD2-OD1 3.08Å; N495-K498 WeakPolarHBondContact O-CG 3.26Å; N495-K498 PolarHBondContact OD1-NZ 2.96Å
496	K	80.9	Confident	88.9	Confident	160 Å²	160	26.2 Å²	26.2	70%	0.696	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-38.7	-178.3	-175	178.2	176.8	-175.4	0	112.6
497	W	85.1	Confident	88.9	Confident	29 Å²	29	28.4 Å²	28.4	11%	0.11	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	20.1	-173.1	-52.9	111.6	0	0	0	112.9	G471 F472 L493 A594	G471-W497 VanDerWaalsContact O-CZ2 3.26Å; G471-W497 WeakPolarHBondContact O-CZ2 3.34Å; G471-W497 PolarHBondContact O-NE1 3.18Å; F472-W497 HydrophobicContact CD1-CD2 4.21Å; F472-W497 HydrophobicContact CD1-CE3 4.2Å; F472-W497 HydrophobicContact CD1-CG 4.35Å; F472-W497 HydrophobicContact CD2-CD2 4.37Å; F472-W497 AromaticContact CD2-CE3 3.94Å; F472-W497 HydrophobicContact CD2-CE3 3.94Å; F472-W497 AromaticContact CD2-CH2 3.95Å; F472-W497 HydrophobicContact CD2-CH2 3.95Å; F472-W497 HydrophobicContact CD2-CZ2 4.39Å; F472-W497 AromaticContact CD2-CZ3 3.69Å; F472-W497 HydrophobicContact CD2-CZ3 3.69Å; F472-W497 HydrophobicContact CE1-CB 4.2Å; F472-W497 HydrophobicContact CE1-CD2 4.1Å; F472-W497 AromaticContact CE1-CE3 3.73Å; F472-W497 HydrophobicContact CE1-CE3 3.73Å; F472-W497 HydrophobicContact CE1-CG 4.32Å; F472-W497 HydrophobicContact CE1-CZ3 4.37Å; F472-W497 HydrophobicContact CE2-CD2 4.29Å; F472-W497 AromaticContact CE2-CE3 3.46Å; F472-W497 HydrophobicContact CE2-CE3 3.46Å; F472-W497 VanDerWaalsContact CE2-CE3 3.46Å; F472-W497 AromaticContact CE2-CH2 3.93Å; F472-W497 HydrophobicContact CE2-CH2 3.93Å; F472-W497 AromaticContact CE2-CZ3 3.22Å; F472-W497 HydrophobicContact CE2-CZ3 3.22Å; F472-W497 HydrophobicContact CG-CD2 4.35Å; F472-W497 HydrophobicContact CG-CE3 4.31Å; F472-W497 HydrophobicContact CG-CZ3 4.45Å; F472-W497 HydrophobicContact CZ-CD2 4.15Å; F472-W497 AromaticContact CZ-CE3 3.34Å; F472-W497 HydrophobicContact CZ-CE3 3.34Å; F472-W497 AromaticContact CZ-CZ3 3.62Å; F472-W497 HydrophobicContact CZ-CZ3 3.62Å; L493-W497 HydrophobicContact CB-CB 3.98Å; L493-W497 HydrophobicContact CD2-CB 4.17Å; W497-A594 HydrophobicContact CE3-CB 3.88Å; W497-A594 HydrophobicContact CH2-CB 4.27Å; W497-A594 HydrophobicContact CZ3-CB 3.36Å
498	K	87.3	Confident	88.8	Confident	44 Å²	44	26 Å²	26	19%	0.191	13%	0.128	C	C	.	.			trans	-65.9	147.1	178.9	68.9	-176.9	172.9	-176.2	0	111.4	M428 L429 L430 G494 N495 Y549	M428-K498 HydrophobicContact CE-CB 3.92Å; M428-K498 HydrophobicContact CE-CD 3.98Å; M428-K498 HydrophobicContact CE-CG 3.66Å; L429-K498 WeakPolarHBondContact O-CA 3.43Å; L430-K498 HydrophobicContact CD2-CB 3.78Å; L430-K498 HydrophobicContact CD2-CD 4.33Å; G494-K498 PolarHBondContact O-N 2.96Å; N495-K498 WeakPolarHBondContact O-CG 3.26Å; N495-K498 PolarHBondContact OD1-NZ 2.96Å; K498-Y549 PolarHBondContact NZ-OH 2.84Å
499	T	88.9	Confident	88.5	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.7	-176.6	176.6	0	0	0	0	110.3	M428 L429 I452 W463	M428-T499 CarbonylContact C-O 3.55Å; M428-T499 WeakPolarHBondContact CA-O 3.36Å; M428-T499 VanDerWaalsContact CE-C 3.42Å; L429-T499 HydrophobicContact CB-CG2 3.94Å; L429-T499 HydrophobicContact CD2-CG2 4.19Å; L429-T499 PolarHBondContact N-O 3.39Å; L429-T499 PolarHBondContact O-N 3.5Å; I452-T499 HydrophobicContact CD1-CG2 3.54Å; I452-T499 HydrophobicContact CG2-CG2 4.44Å; W463-T499 HydrophobicContact CZ2-CG2 3.88Å; W463-T499 PolarHBondContact NE1-OG1 3.45Å
500	F	90.9	Very high	87.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	145.4	166.2	-73.3	-75.7	0	0	0	111.1	L365 V426 H427 M428 I452 P454 F455 M551 V588 L591 L601	L365-F500 HydrophobicContact CD2-CZ 4.43Å; V426-F500 HydrophobicContact CG1-CD1 3.26Å; V426-F500 HydrophobicContact CG1-CE1 3.37Å; V426-F500 HydrophobicContact CG1-CG 4.49Å; H427-F500 WeakPolarHBondContact O-CA 3.47Å; M428-F500 HydrophobicContact SD-CB 4.33Å; M428-F500 HydrophobicContact SD-CD1 3.4Å; M428-F500 WeakPolarHBondContact SD-CD1 3.44Å; M428-F500 HydrophobicContact SD-CD2 4.01Å; M428-F500 HydrophobicContact SD-CE1 3.63Å; M428-F500 HydrophobicContact SD-CE2 4.21Å; M428-F500 HydrophobicContact SD-CG 3.64Å; M428-F500 HydrophobicContact SD-CZ 4.03Å; I452-F500 VanDerWaalsContact CG2-O 3.25Å; I452-F500 WeakPolarHBondContact CG2-O 3.36Å; P454-F500 HydrophobicContact CB-CB 3.59Å; F455-F500 HydrophobicContact CE1-CB 4.38Å; F455-F500 AromaticContact CE1-CD1 3.96Å; F455-F500 HydrophobicContact CE1-CD1 3.96Å; F455-F500 HydrophobicContact CE1-CE1 4.35Å; F455-F500 HydrophobicContact CE1-CG 4.14Å; F455-F500 HydrophobicContact CZ-CB 4.15Å; F455-F500 HydrophobicContact CZ-CD1 4.01Å; F455-F500 HydrophobicContact CZ-CD2 4.01Å; F455-F500 HydrophobicContact CZ-CE1 4.33Å; F455-F500 HydrophobicContact CZ-CE2 4.33Å; F455-F500 AromaticContact CZ-CG 3.8Å; F455-F500 HydrophobicContact CZ-CG 3.8Å; F455-F500 HydrophobicContact CZ-CZ 4.49Å; F500-M551 HydrophobicContact CD1-CE 4.1Å; F500-M551 HydrophobicContact CE1-CE 3.27Å; F500-M551 HydrophobicContact CZ-CE 3.94Å; F500-V588 HydrophobicContact CE2-CG1 4.25Å; F500-L591 HydrophobicContact CD2-CB 4.24Å; F500-L591 HydrophobicContact CE2-CB 3.74Å; F500-L591 HydrophobicContact CE2-CD1 3.68Å; F500-L591 HydrophobicContact CE2-CG 4.35Å; F500-L591 HydrophobicContact CZ-CD1 3.69Å; F500-L601 HydrophobicContact CD2-CD1 3.83Å; F500-L601 HydrophobicContact CE2-CD1 4.44Å
501	F	91.3	Very high	86.7	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.009	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	134.8	169.6	81.3	-75.6	0	0	0	112.7	V389 S418 H427 L429 I452 P454 I504 V546	V389-F501 HydrophobicContact CB-CZ 4.04Å; V389-F501 HydrophobicContact CG1-CE1 4.47Å; V389-F501 HydrophobicContact CG1-CZ 3.75Å; S418-F501 PolarHBondContact OG-O 3.49Å; H427-F501 HydrophobicContact CB-CD1 3.84Å; H427-F501 HydrophobicContact CB-CE1 3.4Å; H427-F501 VanDerWaalsContact CB-CE1 3.4Å; H427-F501 HydrophobicContact CB-CZ 3.79Å; H427-F501 PolarHBondContact O-N 3.28Å; L429-F501 HydrophobicContact CB-CB 4.35Å; L429-F501 HydrophobicContact CB-CD1 3.56Å; L429-F501 HydrophobicContact CB-CE1 4.08Å; L429-F501 HydrophobicContact CB-CG 4.12Å; L429-F501 HydrophobicContact CD1-CD1 4.43Å; L429-F501 HydrophobicContact CD1-CE1 4.4Å; I452-F501 HydrophobicContact CG2-CB 3.75Å; P454-F501 CarbonylContact O-C 3.27Å; F501-I504 HydrophobicContact CB-CG1 4.26Å; F501-I504 HydrophobicContact CD2-CD1 3.7Å; F501-I504 HydrophobicContact CD2-CG1 3.78Å; F501-I504 HydrophobicContact CE2-CD1 4.05Å; F501-I504 HydrophobicContact CG-CD1 4.29Å; F501-I504 HydrophobicContact CG-CG1 4.33Å; F501-V546 HydrophobicContact CE1-CG1 4.26Å; F501-V546 HydrophobicContact CE2-CG1 3.8Å; F501-V546 HydrophobicContact CZ-CG1 3.54Å
502	E	91.1	Very high	85.5	Confident	22 Å²	22	37.3 Å²	37.3	10%	0.103	18%	0.175	C	C	.	.	S	Bend	trans	-113.3	-39.2	163.5	-175.8	154.5	164.6	0	0	110.5	K417 S418 N419 N453 P454 F455 R609	K417-E502 WeakPolarHBondContact CA-O 3.31Å; S418-E502 PolarHBondContact N-O 2.88Å; S418-E502 WeakPolarHBondContact OG-CA 3.45Å; S418-E502 PolarHBondContact OG-O 2.95Å; N419-E502 HydrophobicContact CB-CG 4.29Å; N453-E502 PolarHBondContact O-N 3.26Å; P454-E502 PolarHBondContact O-N 3.06Å; F455-E502 VanDerWaalsContact C-OE2 3.26Å; E502-R609 IonicContact OE1-NH1 3.02Å; E502-R609 WeakPolarHBondContact OE2-CD 3.3Å; E502-R609 IonicContact OE2-CZ 2.7Å; E502-R609 IonicContact OE2-NH1 3.49Å; E502-R609 PolarHBondContact OE2-NH1 3.48Å
503	T	92.1	Very high	84.3	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.5	176.8	-53.7	0	0	0	0	110.9	T415 L416 N453 G456 G457	T415-T503 HydrophobicContact CG2-CG2 3.32Å; L416-T503 CarbonylContact O-C 3.42Å; L416-T503 VanDerWaalsContact O-CA 3.26Å; L416-T503 WeakPolarHBondContact O-CA 3.25Å; N453-T503 PolarHBondContact N-O 2.01Å; N453-T503 PolarHBondContact O-N 3.41Å; N453-T503 VanDerWaalsContact O-N 3.12Å; G456-T503 WeakPolarHBondContact O-CB 3.06Å; G456-T503 PolarHBondContact O-OG1 2.86Å; G457-T503 WeakPolarHBondContact CA-OG1 3.5Å
504	I	93.8	Very high	82.6	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.1	173.6	-52.2	171.5	0	0	0	107.8	T415 L416 L429 L450 F501 I506 V546	T415-I504 CarbonylContact C-O 3.58Å; T415-I504 WeakPolarHBondContact CA-O 3.14Å; L416-I504 HydrophobicContact CB-CB 4.2Å; L416-I504 HydrophobicContact CD1-CB 4.42Å; L416-I504 HydrophobicContact CD1-CD1 4.38Å; L416-I504 PolarHBondContact N-O 2.95Å; L416-I504 PolarHBondContact O-N 2.98Å; L429-I504 HydrophobicContact CD1-CD1 3.94Å; L429-I504 HydrophobicContact CD2-CD1 4.24Å; L450-I504 HydrophobicContact CD2-CG2 4.14Å; F501-I504 HydrophobicContact CB-CG1 4.26Å; F501-I504 HydrophobicContact CD2-CD1 3.7Å; F501-I504 HydrophobicContact CD2-CG1 3.78Å; F501-I504 HydrophobicContact CE2-CD1 4.05Å; F501-I504 HydrophobicContact CG-CD1 4.29Å; F501-I504 HydrophobicContact CG-CG1 4.33Å; I504-I506 HydrophobicContact CG2-CG1 4.03Å; I504-V546 HydrophobicContact CD1-CG1 4.06Å; I504-V546 HydrophobicContact CD1-CG2 4.23Å
505	H	93.1	Very high	80.6	Confident	9 Å²	9	54.9 Å²	54.9	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.2	173.9	-63.2	-64.2	0	0	0	109.2	L413 L414 T415 Y451 H459 S462	L413-H505 HydrophobicContact CD1-CB 3.92Å; L414-H505 WeakPolarHBondContact O-CA 3.26Å; T415-H505 PolarHBondContact OG1-ND1 3.42Å; T415-H505 VanDerWaalsContact OG1-ND1 3.17Å; Y451-H505 PolarHBondContact N-O 3.11Å; Y451-H505 PolarHBondContact O-N 3.21Å; H459-H505 AromaticContact CD2-CD2 3.84Å; H459-H505 AromaticContact CD2-CG 3.83Å; S462-H505 PolarHBondContact OG-CD2 3.34Å
506	I	92.2	Very high	78.6	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.3	179.7	-40.5	-179.5	0	0	0	107	L414 L416 I432 L434 L448 T449 L450 I504	L414-I506 HydrophobicContact CB-CB 4.13Å; L414-I506 PolarHBondContact N-O 3.11Å; L414-I506 PolarHBondContact O-N 3.29Å; L416-I506 HydrophobicContact CD1-CD1 4Å; I432-I506 HydrophobicContact CD1-CD1 3.56Å; L434-I506 HydrophobicContact CD2-CD1 4.11Å; L448-I506 HydrophobicContact CB-CG2 4.5Å; L448-I506 HydrophobicContact CD2-CG2 3.9Å; T449-I506 WeakPolarHBondContact O-CA 3.48Å; L450-I506 HydrophobicContact CD2-CB 4.08Å; L450-I506 HydrophobicContact CD2-CD1 4.13Å; L450-I506 HydrophobicContact CD2-CG1 3.62Å; L450-I506 HydrophobicContact CD2-CG2 3.84Å; I504-I506 HydrophobicContact CG2-CG1 4.03Å
507	Y	89.4	Confident	76.7	Confident	48 Å²	48	57.4 Å²	57.4	19%	0.188	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.9	165.7	-65.4	-85.9	0	0	0	109.3	M412 L413 L448 T449 Y451 H459	M412-Y507 WeakPolarHBondContact O-CA 3.23Å; L413-Y507 HydrophobicContact CB-CD1 4.46Å; L413-Y507 HydrophobicContact CB-CE1 4.27Å; L413-Y507 HydrophobicContact CD1-CD1 4.16Å; L413-Y507 HydrophobicContact CD1-CE1 3.86Å; L413-Y507 HydrophobicContact CD1-CE2 4.25Å; L413-Y507 HydrophobicContact CD1-CG 4.49Å; L413-Y507 HydrophobicContact CG-CE1 4.49Å; L448-Y507 WeakPolarHBondContact CA-O 3.4Å; T449-Y507 PolarHBondContact N-O 3.05Å; T449-Y507 PolarHBondContact O-N 2.02Å; T449-Y507 WeakPolarHBondContact OG1-CB 3.41Å; Y451-Y507 AromaticContact CD2-CD2 3.63Å; Y451-Y507 HydrophobicContact CD2-CD2 3.63Å; Y451-Y507 AromaticContact CD2-CE2 3.59Å; Y451-Y507 HydrophobicContact CD2-CE2 3.59Å; Y451-Y507 AromaticContact CE2-CD2 3.6Å; Y451-Y507 HydrophobicContact CE2-CD2 3.6Å; Y451-Y507 AromaticContact CE2-CE2 3.65Å; Y451-Y507 HydrophobicContact CE2-CE2 3.65Å; Y451-Y507 HydrophobicContact CG-CE2 4.45Å; H459-Y507 AromaticContact CD2-CZ 3.99Å; H459-Y507 PolarHBondContact CD2-OH 3.05Å; H459-Y507 VanDerWaalsContact CD2-OH 3.23Å; H459-Y507 AromaticContact CE1-CE2 3.95Å; H459-Y507 AromaticContact CE1-CZ 3.96Å; H459-Y507 PolarHBondContact CE1-OH 3.27Å; H459-Y507 AromaticContact NE2-CE2 3.14Å; H459-Y507 WeakPolarHBondContact NE2-CE2 3.4Å; H459-Y507 AromaticContact NE2-CZ 3.34Å; H459-Y507 VanDerWaalsContact NE2-CZ 3.34Å; H459-Y507 PolarHBondContact NE2-OH 3.1Å
508	L	86.6	Confident	74.2	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.2	169.6	176.4	67.2	0	0	0	108.5	F404 M412 P446 L448 M539 I541	F404-L508 HydrophobicContact CE2-CD2 4.3Å; F404-L508 HydrophobicContact CZ-CD2 3.9Å; M412-L508 HydrophobicContact CB-CB 4.42Å; M412-L508 PolarHBondContact N-O 2.84Å; M412-L508 PolarHBondContact O-N 3.42Å; P446-L508 HydrophobicContact CB-CD1 3.72Å; L448-L508 HydrophobicContact CD2-CB 4.33Å; L448-L508 HydrophobicContact CD2-CD1 3.58Å; L508-M539 HydrophobicContact CD1-SD 4.25Å; L508-M539 HydrophobicContact CD2-SD 3.81Å; L508-I541 HydrophobicContact CD2-CD1 3.9Å
509	R	83.1	Confident	71.6	Confident	92 Å²	92	66.4 Å²	66.4	35%	0.347	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.3	167.3	-61.4	-172.8	-170.1	172.7	9.2	108.9	R411 A447	R411-R509 HydrophobicContact CG-CG 4.16Å; A447-R509 HydrophobicContact CB-CB 4.31Å; A447-R509 PolarHBondContact N-O 3.4Å; A447-R509 PolarHBondContact O-N 3.32Å
510	S	71.2	Confident	69.1	Low	40 Å²	40	74.3 Å²	74.3	28%	0.28	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.1	173.8	-152.3	0	0	0	0	109.1	L444	L444-S510 WeakPolarHBondContact CB-OG 3.4Å; L444-S510 WeakPolarHBondContact CD2-OG 3.07Å
511	R	71.6	Confident	66.3	Low	131 Å²	131	79.2 Å²	79.2	49%	0.494	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	150.7	171.8	-65	-176	-179.2	-179.7	2.4	109.4	L444 E445 A447 Y524	L444-R511 CarbonylContact C-O 3.56Å; L444-R511 VanDerWaalsContact CA-O 3.27Å; L444-R511 WeakPolarHBondContact CA-O 3.4Å; E445-R511 PolarHBondContact N-O 2.99Å; E445-R511 PolarHBondContact O-N 2.82Å; A447-R511 HydrophobicContact CB-CG 4.13Å; R511-Y524 PolarHBondContact NH2-OH 3.37Å
512	I	66.9	Low	63.8	Low	83 Å²	83	83.8 Å²	83.8	43%	0.426	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128	170.7	-57.4	171.9	0	0	0	106.5	T443 T514 L536	T443-I512 CarbonylContact O-C 3.58Å; T443-I512 WeakPolarHBondContact O-CA 3.44Å; I512-T514 PolarHBondContact O-N 3.38Å; I512-L536 HydrophobicContact CD1-CD2 3.94Å; I512-L536 HydrophobicContact CG1-CD2 4.17Å
513	K	63.3	Low	61	Low	112 Å²	112	93.6 Å²	93.6	49%	0.487	51%	0.505	S	S	.	.			trans	-59.6	108.8	173.6	-75.6	-178.7	177.7	176.8	0	108.9	T443 E445	T443-K513 PolarHBondContact O-N 2.67Å; E445-K513 HydrophobicContact CB-CG 4.45Å
514	T	51.7	Low	58.6	Low	130 Å²	130	101.3 Å²	101.3	80%	0.798	54%	0.536	S	S	*	.			trans	-79.7	135.9	170.9	40.3	0	0	0	0	109.3	I512	I512-T514 PolarHBondContact O-N 3.38Å
515	Q	40.8	Very low	55.8	Low	199 Å²	199	109.8 Å²	109.8	93%	0.93	58%	0.575	S	S	*	*			trans	-71.8	130.7	178.7	-139.9	168.4	8.6	0	0	108.9
516	D	38.8	Very low	53.2	Low	170 Å²	170	113.9 Å²	113.9	91%	0.909	60%	0.603	S	S	*	*	S	Bend	trans	-39.9	139.8	-168.3	-72.7	-43.9	0	0	0	116.8
517	G	41.3	Very low	50.9	Low	84 Å²	84	117.3 Å²	117.3	87%	0.866	63%	0.631	S	S	*	*			trans	135.3	22.8	148.3	0	0	0	0	0	120.3
518	A	32.8	Very low	48.8	Very low	101 Å²	101	123.1 Å²	123.1	84%	0.835	66%	0.66	S	S	*	*	S	Bend	trans	-136.1	129.8	171.2	0	0	0	0	0	112.2
519	N	33.6	Very low	47.1	Very low	161 Å²	161	129.6 Å²	129.6	86%	0.861	69%	0.693	S	S	*	*			trans	-35.8	130	-174.1	-69.4	-26.7	0	0	0	115.7	S521	N519-S521 VanDerWaalsContact C-N 3.27Å; N519-S521 PolarHBondContact O-N 2.95Å
520	D	35.8	Very low	45.3	Very low	168 Å²	168	131.4 Å²	131.4	90%	0.898	71%	0.714	S	S	*	*			trans	-75.2	69.1	-178.3	-143.7	5.8	0	0	0	111.3
521	S	32.1	Very low	44.1	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	73%	0.73	S	S	*	*			trans	-113	103.8	165.1	64.4	0	0	0	0	109.4	N519 Y523	N519-S521 VanDerWaalsContact C-N 3.27Å; N519-S521 PolarHBondContact O-N 2.95Å; S521-Y523 PolarHBondContact O-N 2.87Å
522	V	39.2	Very low	43.1	Very low	98 Å²	98	134.6 Å²	134.6	59%	0.594	75%	0.745	S	S	*	*			trans	-52.7	100.8	-174.7	-179.7	0	0	0	0	112.6	Y524	V522-Y524 HydrophobicContact CG1-CD2 3.54Å; V522-Y524 HydrophobicContact CG1-CE2 3.22Å; V522-Y524 HydrophobicContact CG1-CG 4.44Å
523	Y	32.1	Very low	42.2	Very low	227 Å²	227	135 Å²	135	89%	0.89	76%	0.76	S	S	*	*			trans	-124.7	108.6	152.9	-130.5	-95.9	0	0	0	107.7	S521 E525	S521-Y523 PolarHBondContact O-N 2.87Å; Y523-E525 PolarHBondContact O-N 3.03Å
524	Y	41.8	Very low	41.9	Very low	166 Å²	166	137 Å²	137	65%	0.651	77%	0.771	S	S	*	*			trans	-78.2	100.1	-177.7	-75.3	-74.5	0	0	0	110.5	R511 V522	R511-Y524 PolarHBondContact NH2-OH 3.37Å; V522-Y524 HydrophobicContact CG1-CD2 3.54Å; V522-Y524 HydrophobicContact CG1-CE2 3.22Å; V522-Y524 HydrophobicContact CG1-CG 4.44Å
525	E	34.7	Very low	42.3	Very low	179 Å²	179	135 Å²	135	84%	0.836	76%	0.763	S	S	*	*			trans	-89.7	129.5	163.2	-100.3	-178.7	167.7	0	0	110.9	Y523 A527	Y523-E525 PolarHBondContact O-N 3.03Å; E525-A527 PolarHBondContact O-N 2.79Å
526	P	39	Very low	43.6	Very low	95 Å²	95	127.9 Å²	127.9	62%	0.617	73%	0.731	S	S	*	*			trans	-67.7	130.9	174.4	-9	23.7	0	0	0	109.7	E528	P526-E528 PolarHBondContact O-N 3.26Å
527	A	43.8	Very low	45.4	Very low	72 Å²	72	120 Å²	120	60%	0.595	69%	0.69	S	S	*	*			trans	-57.4	112.5	168.1	0	0	0	0	0	109.8	E525	E525-A527 PolarHBondContact O-N 2.79Å
528	E	45.3	Very low	47.5	Very low	170 Å²	170	121.1 Å²	121.1	79%	0.794	67%	0.669	S	S	*	*			trans	-73.6	123.6	162.8	-71.3	-171.4	162.6	0	0	108	P526 T530	P526-E528 PolarHBondContact O-N 3.26Å; E528-T530 PolarHBondContact O-N 3.05Å; E528-T530 PolarHBondContact O-OG1 3.02Å
529	I	49.8	Very low	50.1	Low	141 Å²	141	116.3 Å²	116.3	72%	0.723	63%	0.629	S	S	*	*			trans	-67.1	98.4	-179.3	-58.5	162.8	0	0	0	107
530	T	45	Very low	52.8	Low	130 Å²	130	110.4 Å²	110.4	80%	0.798	60%	0.596	S	S	*	*			trans	-95	-8.7	177.6	28.8	0	0	0	0	113.6	E528	E528-T530 PolarHBondContact O-N 3.05Å; E528-T530 PolarHBondContact O-OG1 3.02Å
531	D	46.4	Very low	55.4	Low	113 Å²	113	102.4 Å²	102.4	60%	0.604	55%	0.553	S	S	*	*			trans	-153.1	115.1	170.5	-109.9	-34	0	0	0	114.1	A533	D531-A533 PolarHBondContact O-N 3.42Å
532	P	50.7	Low	58.1	Low	125 Å²	125	99.1 Å²	99.1	81%	0.812	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	2.4	175.3	28.4	-32.3	0	0	0	114.2
533	A	48	Very low	60.6	Low	90 Å²	90	96.5 Å²	96.5	74%	0.744	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-10.5	-179	0	0	0	0	0	114.5	D531 S535	D531-A533 PolarHBondContact O-N 3.42Å; A533-S535 PolarHBondContact O-N 2.98Å
534	Q	57.1	Low	63.4	Low	155 Å²	155	87 Å²	87	72%	0.724	48%	0.477	S	S	*	.			trans	-92.7	98.9	176	-106.5	176.4	3.2	0	0	110.5	L536	Q534-L536 PolarHBondContact O-N 3.49Å
535	S	59.8	Low	65.8	Low	88 Å²	88	81.9 Å²	81.9	62%	0.615	46%	0.459	S	S	*	.			trans	-64.2	108.4	169.5	-178.1	0	0	0	0	109.1	A533 G537	A533-S535 PolarHBondContact O-N 2.98Å; S535-G537 PolarHBondContact O-N 2.99Å
536	L	69.2	Low	68.6	Low	49 Å²	49	73.4 Å²	73.4	26%	0.257	42%	0.42	S	S	.	.			trans	-66.9	-14.9	178.4	-67.7	167.6	0	0	0	112.6	S442 T443 L444 I512 Q534	S442-L536 PolarHBondContact OG-O 2.92Å; T443-L536 PolarHBondContact N-O 3.28Å; L444-L536 HydrophobicContact CD1-CB 3.9Å; L444-L536 VanDerWaalsContact CD1-O 3.3Å; L444-L536 WeakPolarHBondContact CD1-O 3.32Å; L444-L536 HydrophobicContact CD2-CB 3.82Å; L444-L536 HydrophobicContact CD2-CD1 4.36Å; L444-L536 HydrophobicContact CG-CB 3.93Å; L444-L536 WeakPolarHBondContact CG-O 3.49Å; I512-L536 HydrophobicContact CD1-CD2 3.94Å; I512-L536 HydrophobicContact CG1-CD2 4.17Å; Q534-L536 PolarHBondContact O-N 3.49Å
537	G	76.6	Confident	71.1	Confident	5 Å²	5	69.4 Å²	69.4	5%	0.052	39%	0.393	C	S	.	.			trans	117.1	158.4	-177.5	0	0	0	0	0	112.3	P406 T439 L444 S535	P406-G537 WeakPolarHBondContact CD-O 3.37Å; T439-G537 WeakPolarHBondContact OG1-CA 3.41Å; L444-G537 VanDerWaalsContact CD1-O 3.3Å; L444-G537 WeakPolarHBondContact CD1-O 3.38Å; S535-G537 PolarHBondContact O-N 2.99Å
538	Y	85	Confident	73.3	Confident	108 Å²	108	66 Å²	66	42%	0.424	37%	0.365	S	S	.	.			trans	-98.4	148.4	173.3	-65.4	-89.3	0	0	0	110.3	W403 D405 T439	W403-Y538 WeakPolarHBondContact CZ3-O 3.37Å; D405-Y538 HydrophobicContact CB-CD1 4.1Å; D405-Y538 HydrophobicContact CB-CE1 3.93Å; T439-Y538 HydrophobicContact CG2-CD2 4.34Å; T439-Y538 PolarHBondContact N-O 3.29Å; T439-Y538 PolarHBondContact OG1-N 3.49Å; T439-Y538 VanDerWaalsContact OG1-N 3.12Å
539	M	87.1	Confident	75.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147	176.3	-170.9	-176.9	-67.5	0	0	110.1	W403 F404 P406 V436 C437 L438 P446 L508	W403-M539 WeakPolarHBondContact CA-O 3.45Å; F404-M539 VanDerWaalsContact CD1-O 3.23Å; F404-M539 WeakPolarHBondContact CD1-O 3.37Å; F404-M539 HydrophobicContact CE1-CB 4.35Å; F404-M539 HydrophobicContact CE1-CG 4.4Å; F404-M539 WeakPolarHBondContact CE1-O 3.41Å; F404-M539 HydrophobicContact CE2-CB 4.04Å; F404-M539 HydrophobicContact CE2-CG 4.49Å; F404-M539 HydrophobicContact CE2-SD 4.34Å; F404-M539 HydrophobicContact CZ-CB 3.89Å; F404-M539 HydrophobicContact CZ-CG 3.92Å; F404-M539 HydrophobicContact CZ-SD 3.86Å; F404-M539 PolarHBondContact N-O 2.99Å; F404-M539 PolarHBondContact O-N 3.5Å; P406-M539 HydrophobicContact CG-CB 4.38Å; V436-M539 HydrophobicContact CG1-CG 3.71Å; V436-M539 HydrophobicContact CG1-SD 3.82Å; C437-M539 CarbonylContact O-C 3.52Å; C437-M539 WeakPolarHBondContact O-CA 3.42Å; L438-M539 HydrophobicContact CD2-CB 4.07Å; L438-M539 HydrophobicContact CD2-CE 3.89Å; L438-M539 HydrophobicContact CD2-CG 3.91Å; P446-M539 HydrophobicContact CB-CE 3.93Å; P446-M539 HydrophobicContact CB-SD 4.46Å; L508-M539 HydrophobicContact CD1-SD 4.25Å; L508-M539 HydrophobicContact CD2-SD 3.81Å
540	K	89.4	Confident	77	Confident	37 Å²	37	55.1 Å²	55.1	16%	0.161	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.2	174.8	176.8	-177.6	-174	-162.8	0	109.8	N401 W403 V436 C437 N542	N401-K540 WeakPolarHBondContact O-CE 3.29Å; N401-K540 WeakPolarHBondContact OD1-CE 3.17Å; N401-K540 PolarHBondContact OD1-NZ 3.4Å; W403-K540 HydrophobicContact CD2-CB 3.62Å; W403-K540 HydrophobicContact CD2-CD 4.08Å; W403-K540 HydrophobicContact CD2-CG 4.39Å; W403-K540 HydrophobicContact CE3-CB 3.52Å; W403-K540 HydrophobicContact CG-CB 4.18Å; W403-K540 HydrophobicContact CG-CD 4.3Å; W403-K540 HydrophobicContact CH2-CB 4.2Å; W403-K540 HydrophobicContact CZ2-CB 4.29Å; W403-K540 HydrophobicContact CZ2-CD 4.14Å; W403-K540 HydrophobicContact CZ3-CB 3.81Å; V436-K540 CarbonylContact C-O 3.59Å; C437-K540 HydrophobicContact CB-CB 4.3Å; C437-K540 PolarHBondContact N-O 2.86Å; C437-K540 PolarHBondContact O-N 3.39Å; K540-N542 WeakPolarHBondContact CD-OD1 3.32Å; K540-N542 WeakPolarHBondContact CE-OD1 3.27Å; K540-N542 PolarHBondContact NZ-OD1 3.28Å
541	I	90.5	Very high	79	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.4	172.4	-65	170.4	0	0	0	107.8	M398 L400 N401 F404 L414 Q435 V436 L508 I544	M398-I541 HydrophobicContact CE-CB 3.8Å; M398-I541 HydrophobicContact CE-CD1 3.44Å; M398-I541 VanDerWaalsContact CE-CD1 3.44Å; M398-I541 HydrophobicContact CE-CG1 4.11Å; M398-I541 HydrophobicContact CE-CG2 4.13Å; L400-I541 HydrophobicContact CD2-CB 4.41Å; L400-I541 HydrophobicContact CD2-CG2 3.74Å; N401-I541 PolarHBondContact N-O 2.74Å; F404-I541 HydrophobicContact CE1-CD1 4.45Å; F404-I541 HydrophobicContact CE1-CG1 4.38Å; F404-I541 HydrophobicContact CZ-CD1 4.36Å; L414-I541 HydrophobicContact CD1-CD1 3.85Å; Q435-I541 CarbonylContact O-C 3.33Å; Q435-I541 WeakPolarHBondContact O-CA 3.1Å; V436-I541 HydrophobicContact CG2-CG1 4.28Å; L508-I541 HydrophobicContact CD2-CD1 3.9Å; I541-I544 HydrophobicContact CG2-CD1 4.21Å; I541-I544 HydrophobicContact CG2-CG1 3.92Å
542	N	90.3	Very high	81	Confident	34 Å²	34	48.1 Å²	48.1	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-51.1	-174.9	-73.7	-16.3	0	0	0	111.6	Q435 C437 K540	Q435-N542 HydrophobicContact CB-CB 4.13Å; Q435-N542 HydrophobicContact CG-CB 4.02Å; Q435-N542 PolarHBondContact NE2-ND2 3.2Å; Q435-N542 PolarHBondContact O-N 3.28Å; Q435-N542 VanDerWaalsContact OE1-CB 3.32Å; C437-N542 PolarHBondContact SG-ND2 3.07Å; C437-N542 VanDerWaalsContact SG-ND2 3.41Å; K540-N542 WeakPolarHBondContact CD-OD1 3.32Å; K540-N542 WeakPolarHBondContact CE-OD1 3.27Å; K540-N542 PolarHBondContact NZ-OD1 3.28Å
543	S	90.3	Very high	82.8	Confident	43 Å²	43	42.1 Å²	42.1	30%	0.301	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.3	-175.4	60.9	0	0	0	0	110.6	Q435	Q435-S543 PolarHBondContact N-O 2.91Å; Q435-S543 PolarHBondContact OE1-OG 3.19Å
544	I	91.8	Very high	84.7	Confident	26 Å²	26	40.3 Å²	40.3	13%	0.133	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.6	172.3	-55.2	174.7	0	0	0	107.1	F393 L400 L416 I432 S433 L434 I541	F393-I544 HydrophobicContact CD2-CD1 3.77Å; F393-I544 HydrophobicContact CE2-CD1 3.87Å; L400-I544 HydrophobicContact CD2-CD1 4.01Å; L400-I544 HydrophobicContact CD2-CG1 4.07Å; L416-I544 HydrophobicContact CD1-CG2 3.62Å; L416-I544 HydrophobicContact CD2-CB 4.36Å; L416-I544 HydrophobicContact CD2-CD1 4.4Å; L416-I544 HydrophobicContact CD2-CG2 4.09Å; L416-I544 HydrophobicContact CG-CG2 4.44Å; I432-I544 HydrophobicContact CD1-CG2 4.17Å; I432-I544 HydrophobicContact CG1-CG2 4.24Å; S433-I544 CarbonylContact O-C 3.58Å; S433-I544 WeakPolarHBondContact O-CA 3.33Å; L434-I544 HydrophobicContact CD2-CD1 3.92Å; L434-I544 HydrophobicContact CD2-CG1 3.93Å; L434-I544 HydrophobicContact CD2-CG2 4.4Å; L434-I544 HydrophobicContact CG-CG1 4.04Å; L434-I544 HydrophobicContact CG-CG2 4.01Å; I541-I544 HydrophobicContact CG2-CD1 4.21Å; I541-I544 HydrophobicContact CG2-CG1 3.92Å
545	Q	91.4	Very high	86.1	Confident	59 Å²	59	33.5 Å²	33.5	28%	0.276	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.7	-179.5	-67.1	-178.2	-47.6	0	0	109.7	I432 S433 F547	I432-Q545 WeakPolarHBondContact CA-O 3.42Å; S433-Q545 PolarHBondContact N-O 2.87Å; S433-Q545 PolarHBondContact O-N 2.96Å; Q545-F547 HydrophobicContact CB-CE2 4.35Å; Q545-F547 HydrophobicContact CB-CZ 4.03Å
546	V	93.2	Very high	87.4	Confident	2 Å²	2	34 Å²	34	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.7	179.3	-175.2	0	0	0	0	108.3	V389 A391 L416 L429 F501 I504	V389-V546 PolarHBondContact N-O 3.38Å; A391-V546 HydrophobicContact CB-CB 4.41Å; A391-V546 HydrophobicContact CB-CG2 3.83Å; L416-V546 HydrophobicContact CD1-CG2 3.72Å; L429-V546 HydrophobicContact CD1-CG1 3.37Å; F501-V546 HydrophobicContact CE1-CG1 4.26Å; F501-V546 HydrophobicContact CE2-CG1 3.8Å; F501-V546 HydrophobicContact CZ-CG1 3.54Å; I504-V546 HydrophobicContact CD1-CG1 4.06Å; I504-V546 HydrophobicContact CD1-CG2 4.23Å
547	F	91.8	Very high	88.2	Confident	10 Å²	10	32.7 Å²	32.7	4%	0.044	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.8	179.1	-56.4	-72.2	0	0	0	110.5	L380 A383 L387 L430 G431 Q545	L380-F547 HydrophobicContact CD2-CB 3.66Å; L380-F547 HydrophobicContact CD2-CG 4.22Å; A383-F547 HydrophobicContact CB-CE1 4Å; A383-F547 HydrophobicContact CB-CZ 3.62Å; L387-F547 HydrophobicContact CB-CB 4.47Å; L387-F547 HydrophobicContact CB-CD1 4.33Å; L387-F547 CarbonylContact O-C 3.45Å; L387-F547 WeakPolarHBondContact O-CA 3.01Å; L430-F547 PolarHBondContact N-O 2.7Å; G431-F547 PolarHBondContact N-O 3.43Å; G431-F547 VanDerWaalsContact N-O 3.11Å; G431-F547 PolarHBondContact O-N 2.84Å; Q545-F547 HydrophobicContact CB-CE2 4.35Å; Q545-F547 HydrophobicContact CB-CZ 4.03Å
548	G	89.8	Confident	88.7	Confident	2 Å²	2	32.5 Å²	32.5	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-170.2	-168.4	0	0	0	0	0	113.7	L387 M428	L387-G548 CarbonylContact C-O 3.23Å; L387-G548 PolarHBondContact O-N 2.96Å; M428-G548 CarbonylContact O-C 3.53Å; M428-G548 WeakPolarHBondContact O-CA 3.22Å
549	Y	87.5	Confident	88.8	Confident	25 Å²	25	31 Å²	31	10%	0.098	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.1	169.8	59.1	-88.3	0	0	0	110.5	T369 H427 M428 L430 K498 M551	T369-Y549 HydrophobicContact CG2-CD2 3.85Å; T369-Y549 HydrophobicContact CG2-CE2 4.14Å; T369-Y549 HydrophobicContact CG2-CG 4.19Å; T369-Y549 WeakPolarHBondContact OG1-CE2 3.14Å; H427-Y549 WeakPolarHBondContact CA-O 3.35Å; M428-Y549 HydrophobicContact CB-CD1 3.98Å; M428-Y549 HydrophobicContact CB-CD2 4.23Å; M428-Y549 HydrophobicContact CB-CE1 3.62Å; M428-Y549 HydrophobicContact CB-CE2 3.9Å; M428-Y549 HydrophobicContact CB-CG 4.27Å; M428-Y549 HydrophobicContact CG-CD2 4.33Å; M428-Y549 HydrophobicContact CG-CE1 4.14Å; M428-Y549 HydrophobicContact CG-CE2 3.67Å; M428-Y549 PolarHBondContact N-O 3.3Å; M428-Y549 PolarHBondContact O-N 3.07Å; L430-Y549 HydrophobicContact CD1-CD1 3.78Å; L430-Y549 HydrophobicContact CD1-CE1 4.2Å; L430-Y549 HydrophobicContact CD2-CE1 4.31Å; L430-Y549 HydrophobicContact CG-CD1 4.31Å; L430-Y549 HydrophobicContact CG-CE1 4.4Å; K498-Y549 PolarHBondContact NZ-OH 2.84Å; Y549-M551 HydrophobicContact CD2-CG 3.85Å; Y549-M551 HydrophobicContact CD2-SD 4.39Å; Y549-M551 HydrophobicContact CE2-CG 3.7Å; Y549-M551 HydrophobicContact CE2-SD 3.65Å
550	S	86.8	Confident	88.7	Confident	57 Å²	57	35.3 Å²	35.3	40%	0.399	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.6	-178.8	-50.4	0	0	0	0	109.4	V426 H427	V426-S550 CarbonylContact O-C 3.54Å; V426-S550 WeakPolarHBondContact O-CA 3.43Å; H427-S550 PolarHBondContact CE1-OG 3.17Å; H427-S550 VanDerWaalsContact CE1-OG 3.28Å; H427-S550 WeakPolarHBondContact ND1-CB 3.47Å; H427-S550 PolarHBondContact ND1-OG 2.03Å
551	M	86.9	Confident	88.5	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.3	178.9	-66	178	-58.7	0	0	109.7	G366 F367 M425 V426 M428 F500 Y549	G366-M551 VanDerWaalsContact O-CB 3.25Å; G366-M551 WeakPolarHBondContact O-CB 3.4Å; G366-M551 WeakPolarHBondContact O-CG 3.49Å; F367-M551 HydrophobicContact CD1-SD 4.33Å; M425-M551 VanDerWaalsContact CA-O 3.32Å; M425-M551 WeakPolarHBondContact CA-O 3.5Å; M425-M551 WeakPolarHBondContact CE-O 2.91Å; V426-M551 HydrophobicContact CG1-CE 4.36Å; V426-M551 PolarHBondContact N-O 3.12Å; V426-M551 PolarHBondContact O-N 2.98Å; M428-M551 HydrophobicContact CG-CE 3.39Å; M428-M551 HydrophobicContact CG-SD 4.08Å; M428-M551 HydrophobicContact SD-CE 3.85Å; F500-M551 HydrophobicContact CD1-CE 4.1Å; F500-M551 HydrophobicContact CE1-CE 3.27Å; F500-M551 HydrophobicContact CZ-CE 3.94Å; Y549-M551 HydrophobicContact CD2-CG 3.85Å; Y549-M551 HydrophobicContact CD2-SD 4.39Å; Y549-M551 HydrophobicContact CE2-CG 3.7Å; Y549-M551 HydrophobicContact CE2-SD 3.65Å
552	H	87.3	Confident	88.3	Confident	89 Å²	89	34.2 Å²	34.2	41%	0.412	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	138	172.6	-173.6	56.4	0	0	0	110.1	L365 G366 N424	L365-H552 WeakPolarHBondContact CA-O 3.28Å; G366-H552 PolarHBondContact N-O 3.26Å; N424-H552 PolarHBondContact O-ND1 2.79Å
553	F	88.4	Confident	88	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-139.1	116.6	177.2	168.6	-104.6	0	0	0	108.4	L365 N424 V426 P555 I558 L605 R609 L610	L365-F553 HydrophobicContact CD1-CB 3.89Å; L365-F553 HydrophobicContact CD1-CD2 3.53Å; L365-F553 HydrophobicContact CD1-CG 4.17Å; N424-F553 CarbonylContact C-O 3.55Å; N424-F553 WeakPolarHBondContact CA-O 3.04Å; N424-F553 PolarHBondContact O-N 2.96Å; N424-F553 VanDerWaalsContact O-O 3.09Å; V426-F553 HydrophobicContact CB-CB 4.43Å; V426-F553 HydrophobicContact CG2-CB 3.64Å; V426-F553 HydrophobicContact CG2-CD1 4.21Å; V426-F553 HydrophobicContact CG2-CD2 4.27Å; V426-F553 HydrophobicContact CG2-CG 3.77Å; F553-P555 HydrophobicContact CE1-CB 3.7Å; F553-P555 HydrophobicContact CE1-CG 4.19Å; F553-P555 HydrophobicContact CZ-CB 4.07Å; F553-P555 VanDerWaalsContact O-CD 3.28Å; F553-P555 WeakPolarHBondContact O-CD 3Å; F553-I558 HydrophobicContact CD2-CD1 4.13Å; F553-I558 HydrophobicContact CE2-CD1 3.55Å; F553-I558 HydrophobicContact CZ-CD1 4.39Å; F553-L605 HydrophobicContact CE2-CD1 4.17Å; F553-L605 HydrophobicContact CE2-CD2 3.99Å; F553-L605 HydrophobicContact CE2-CG 4.21Å; F553-L605 HydrophobicContact CZ-CD2 4.43Å; F553-R609 HydrophobicContact CE1-CB 3.64Å; F553-R609 HydrophobicContact CE1-CG 4.36Å; F553-R609 HydrophobicContact CZ-CB 3.58Å; F553-R609 HydrophobicContact CZ-CG 4.41Å; F553-L610 HydrophobicContact CE2-CD1 4.25Å; F553-L610 HydrophobicContact CZ-CD1 3.7Å
554	D	88.3	Confident	87.5	Confident	51 Å²	51	35.9 Å²	35.9	27%	0.273	18%	0.182	S	C	.	.			trans	-100.9	101.3	175.7	-167.5	-22.4	0	0	0	110.2	Y364 E556 A557 I558	Y364-D554 PolarHBondContact O-N 3.09Å; D554-E556 VanDerWaalsContact C-N 3.31Å; D554-E556 PolarHBondContact O-N 3.18Å; D554-E556 PolarHBondContact OD1-N 3.33Å; D554-A557 HydrophobicContact CB-CB 3.9Å; D554-A557 PolarHBondContact OD1-N 3.4Å; D554-A557 VanDerWaalsContact OD1-N 3.17Å; D554-I558 PolarHBondContact O-N 3.48Å
555	P	87.3	Confident	87	Confident	13 Å²	13	35.3 Å²	35.3	8%	0.084	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-30	179.1	26	-32.3	0	0	0	113.1	F553 R559	F553-P555 HydrophobicContact CE1-CB 3.7Å; F553-P555 HydrophobicContact CE1-CG 4.19Å; F553-P555 HydrophobicContact CZ-CB 4.07Å; F553-P555 VanDerWaalsContact O-CD 3.28Å; F553-P555 WeakPolarHBondContact O-CD 3Å; P555-R559 VanDerWaalsContact O-CG 3.31Å; P555-R559 WeakPolarHBondContact O-CG 3.37Å; P555-R559 PolarHBondContact O-N 3.38Å; P555-R559 VanDerWaalsContact O-N 3.13Å
556	E	86.7	Confident	86.2	Confident	99 Å²	99	35.5 Å²	35.5	46%	0.463	18%	0.183	S	C	.	.	H	α-helix	trans	-77.3	-40	-176.3	-59.2	-51.7	142.1	0	0	110.3	D554 I558 R559 D560	D554-E556 VanDerWaalsContact C-N 3.31Å; D554-E556 PolarHBondContact O-N 3.18Å; D554-E556 PolarHBondContact OD1-N 3.33Å; E556-I558 VanDerWaalsContact C-N 3.31Å; E556-I558 PolarHBondContact O-N 3.16Å; E556-R559 VanDerWaalsContact CD-NH1 3.31Å; E556-R559 WeakPolarHBondContact O-CA 3.27Å; E556-R559 WeakPolarHBondContact O-CB 3.47Å; E556-R559 PolarHBondContact O-N 2.8Å; E556-R559 IonicContact OE1-CZ 3.58Å; E556-R559 IonicContact OE1-NH1 3.84Å; E556-R559 PolarHBondContact OE1-NH1 2.85Å; E556-R559 WeakPolarHBondContact OE2-CD 3.48Å; E556-R559 IonicContact OE2-NH1 3.05Å; E556-R559 PolarHBondContact OE2-NH1 2.8Å; E556-R559 VanDerWaalsContact OE2-NH1 3.09Å; E556-D560 PolarHBondContact O-N 3.02Å
557	A	85.9	Confident	85.2	Confident	20 Å²	20	42.7 Å²	42.7	17%	0.165	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-39.3	175.1	0	0	0	0	0	112.8	Y364 D554 D560 L561	Y364-A557 HydrophobicContact CD1-CB 3.63Å; Y364-A557 HydrophobicContact CE1-CB 3.76Å; Y364-A557 WeakPolarHBondContact CE1-O 3.29Å; D554-A557 HydrophobicContact CB-CB 3.9Å; D554-A557 PolarHBondContact OD1-N 3.4Å; D554-A557 VanDerWaalsContact OD1-N 3.17Å; A557-D560 PolarHBondContact O-N 2.96Å; A557-L561 PolarHBondContact O-N 3.06Å; A557-L561 VanDerWaalsContact O-N 3.13Å
558	I	87.4	Confident	83.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-72.2	-33.5	175.8	-60.1	170.4	0	0	0	111	Y364 F553 D554 E556 D560 L561 I562 L581 L610	Y364-I558 HydrophobicContact CD1-CG1 3.91Å; Y364-I558 HydrophobicContact CG-CG1 4.29Å; F553-I558 HydrophobicContact CD2-CD1 4.13Å; F553-I558 HydrophobicContact CE2-CD1 3.55Å; F553-I558 HydrophobicContact CZ-CD1 4.39Å; D554-I558 PolarHBondContact O-N 3.48Å; E556-I558 VanDerWaalsContact C-N 3.31Å; E556-I558 PolarHBondContact O-N 3.16Å; I558-D560 VanDerWaalsContact C-N 3.34Å; I558-L561 WeakPolarHBondContact O-CB 3.46Å; I558-L561 PolarHBondContact O-N 3.14Å; I558-I562 HydrophobicContact CG2-CD1 4.23Å; I558-I562 WeakPolarHBondContact O-CG1 3.33Å; I558-I562 PolarHBondContact O-N 3.07Å; I558-L581 HydrophobicContact CG2-CD2 4.34Å; I558-L610 HydrophobicContact CB-CD2 3.99Å; I558-L610 HydrophobicContact CG2-CD1 4.38Å; I558-L610 HydrophobicContact CG2-CD2 3.59Å
559	R	87.1	Confident	82.1	Confident	77 Å²	77	55.1 Å²	55.1	29%	0.291	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-41.1	172.2	-78	175.6	177.4	162.6	5.7	111.6	P555 E556 L561 I562 L563 L610	P555-R559 VanDerWaalsContact O-CG 3.31Å; P555-R559 WeakPolarHBondContact O-CG 3.37Å; P555-R559 PolarHBondContact O-N 3.38Å; P555-R559 VanDerWaalsContact O-N 3.13Å; E556-R559 VanDerWaalsContact CD-NH1 3.31Å; E556-R559 WeakPolarHBondContact O-CA 3.27Å; E556-R559 WeakPolarHBondContact O-CB 3.47Å; E556-R559 PolarHBondContact O-N 2.8Å; E556-R559 IonicContact OE1-CZ 3.58Å; E556-R559 IonicContact OE1-NH1 3.84Å; E556-R559 PolarHBondContact OE1-NH1 2.85Å; E556-R559 WeakPolarHBondContact OE2-CD 3.48Å; E556-R559 IonicContact OE2-NH1 3.05Å; E556-R559 PolarHBondContact OE2-NH1 2.8Å; E556-R559 VanDerWaalsContact OE2-NH1 3.09Å; R559-L561 VanDerWaalsContact C-N 3.32Å; R559-L561 PolarHBondContact O-N 2.99Å; R559-I562 CarbonylContact O-C 3.14Å; R559-I562 PolarHBondContact O-N 3.43Å; R559-I562 VanDerWaalsContact O-N 3.1Å; R559-L563 WeakPolarHBondContact O-CG 3.42Å; R559-L563 PolarHBondContact O-N 2.03Å; R559-L610 HydrophobicContact CG-CD2 3.88Å; R559-L610 HydrophobicContact CG-CG 4.46Å; R559-L610 PolarHBondContact NE-O 2.95Å; R559-L610 PolarHBondContact NH2-O 2.84Å
560	D	85.5	Confident	80.3	Confident	90 Å²	90	57.8 Å²	57.8	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-41.2	176	-72.2	-18.1	0	0	0	111.3	E556 A557 I558 I562 L563 Q564	E556-D560 PolarHBondContact O-N 3.02Å; A557-D560 PolarHBondContact O-N 2.96Å; I558-D560 VanDerWaalsContact C-N 3.34Å; D560-I562 VanDerWaalsContact C-N 3.32Å; D560-I562 PolarHBondContact O-N 3.41Å; D560-L563 WeakPolarHBondContact O-CB 3.32Å; D560-L563 PolarHBondContact O-N 2.79Å; D560-Q564 WeakPolarHBondContact O-CG 3.46Å; D560-Q564 PolarHBondContact O-N 3.32Å
561	L	84.3	Confident	78.5	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-58.7	-41.4	171.3	-75.1	179.4	0	0	0	113.1	Y364 A557 I558 R559 L563 Q564 A577 Q580 L581 I584	Y364-L561 HydrophobicContact CD1-CD1 3.71Å; Y364-L561 HydrophobicContact CD1-CG 4.36Å; Y364-L561 HydrophobicContact CD2-CD1 4.2Å; Y364-L561 HydrophobicContact CE1-CD1 3.3Å; Y364-L561 HydrophobicContact CE1-CD2 4.26Å; Y364-L561 HydrophobicContact CE1-CG 3.57Å; Y364-L561 HydrophobicContact CE2-CD1 3.86Å; Y364-L561 HydrophobicContact CG-CD1 4.15Å; Y364-L561 VanDerWaalsContact CZ-CD1 3.41Å; Y364-L561 WeakPolarHBondContact OH-CD2 3.4Å; A557-L561 PolarHBondContact O-N 3.06Å; A557-L561 VanDerWaalsContact O-N 3.13Å; I558-L561 WeakPolarHBondContact O-CB 3.46Å; I558-L561 PolarHBondContact O-N 3.14Å; R559-L561 VanDerWaalsContact C-N 3.32Å; R559-L561 PolarHBondContact O-N 2.99Å; L561-L563 VanDerWaalsContact C-N 3.34Å; L561-Q564 WeakPolarHBondContact O-CB 3.34Å; L561-Q564 PolarHBondContact O-N 2.9Å; L561-A577 HydrophobicContact CD2-CB 4.41Å; L561-Q580 HydrophobicContact CD1-CB 4.27Å; L561-L581 HydrophobicContact CB-CD2 4.34Å; L561-L581 HydrophobicContact CB-CG 4.47Å; L561-L581 HydrophobicContact CD1-CD2 4.38Å; L561-I584 HydrophobicContact CD1-CD1 4.12Å
562	I	86.8	Confident	77.1	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.062	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-37.9	177.7	-67.2	166.5	0	0	0	110.3	I558 R559 D560 Q564 L565 L581 L606 L610 L612 I620	I558-I562 HydrophobicContact CG2-CD1 4.23Å; I558-I562 WeakPolarHBondContact O-CG1 3.33Å; I558-I562 PolarHBondContact O-N 3.07Å; R559-I562 CarbonylContact O-C 3.14Å; R559-I562 PolarHBondContact O-N 3.43Å; R559-I562 VanDerWaalsContact O-N 3.1Å; D560-I562 VanDerWaalsContact C-N 3.32Å; D560-I562 PolarHBondContact O-N 3.41Å; I562-Q564 VanDerWaalsContact C-N 3.31Å; I562-Q564 PolarHBondContact O-N 3.46Å; I562-L565 VanDerWaalsContact O-CB 3.24Å; I562-L565 WeakPolarHBondContact O-CB 3.44Å; I562-L565 PolarHBondContact O-N 2.89Å; I562-L565 VanDerWaalsContact O-N 3.16Å; I562-L581 HydrophobicContact CG1-CD1 4.33Å; I562-L581 HydrophobicContact CG1-CD2 4.31Å; I562-L606 HydrophobicContact CD1-CD2 4.03Å; I562-L610 HydrophobicContact CD1-CD2 3.76Å; I562-L612 HydrophobicContact CD1-CD1 3.78Å; I562-I620 HydrophobicContact CD1-CD1 3.86Å; I562-I620 HydrophobicContact CG1-CD1 4.11Å; I562-I620 HydrophobicContact CG2-CD1 3.85Å; I562-I620 HydrophobicContact CG2-CG1 4.32Å
563	L	83.3	Confident	76.1	Confident	85 Å²	85	63.9 Å²	63.9	45%	0.445	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-34.2	175.3	-72	172.2	0	0	0	112.2	R559 D560 L561 L565 D566 Y567	R559-L563 WeakPolarHBondContact O-CG 3.42Å; R559-L563 PolarHBondContact O-N 2.03Å; D560-L563 WeakPolarHBondContact O-CB 3.32Å; D560-L563 PolarHBondContact O-N 2.79Å; L561-L563 VanDerWaalsContact C-N 3.34Å; L563-L565 PolarHBondContact O-N 2.94Å; L563-D566 PolarHBondContact O-N 2.8Å; L563-Y567 PolarHBondContact O-N 3Å
564	Q	81	Confident	75.4	Confident	27 Å²	27	68 Å²	68	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-24	174.3	-72.2	173.4	6.9	0	0	113.3	D560 L561 I562 D566 T570 Q571 A577	D560-Q564 WeakPolarHBondContact O-CG 3.46Å; D560-Q564 PolarHBondContact O-N 3.32Å; L561-Q564 WeakPolarHBondContact O-CB 3.34Å; L561-Q564 PolarHBondContact O-N 2.9Å; I562-Q564 VanDerWaalsContact C-N 3.31Å; I562-Q564 PolarHBondContact O-N 3.46Å; Q564-D566 VanDerWaalsContact C-N 3.27Å; Q564-D566 PolarHBondContact O-N 3.3Å; Q564-T570 WeakPolarHBondContact CG-O 3.33Å; Q564-Q571 PolarHBondContact NE2-O 3.38Å; Q564-Q571 PolarHBondContact OE1-O 3.09Å; Q564-A577 HydrophobicContact CB-CB 3.94Å
565	L	79.8	Confident	74.8	Confident	14 Å²	14	68.1 Å²	68.1	7%	0.073	35%	0.347	C	S	.	.	H	α-helix	trans	-65.9	-33.9	172	-58.3	176.6	0	0	0	112.1	I562 L563 Q574 A577 I578 L581	I562-L565 VanDerWaalsContact O-CB 3.24Å; I562-L565 WeakPolarHBondContact O-CB 3.44Å; I562-L565 PolarHBondContact O-N 2.89Å; I562-L565 VanDerWaalsContact O-N 3.16Å; L563-L565 PolarHBondContact O-N 2.94Å; L565-Q574 PolarHBondContact O-NE2 2.05Å; L565-Q574 VanDerWaalsContact O-NE2 3.16Å; L565-A577 HydrophobicContact CD2-CB 4.38Å; L565-I578 HydrophobicContact CD2-CB 4.42Å; L565-I578 HydrophobicContact CD2-CD1 4.09Å; L565-I578 HydrophobicContact CD2-CG1 3.25Å; L565-L581 HydrophobicContact CD1-CD1 3.68Å; L565-L581 HydrophobicContact CD2-CD1 4.28Å; L565-L581 HydrophobicContact CG-CD1 4.17Å
566	D	74.6	Confident	74.4	Confident	64 Å²	64	69.7 Å²	69.7	34%	0.342	36%	0.356	S	S	.	.	H	α-helix	trans	-91.8	-32.8	-175.9	-67.7	-27	0	0	0	112.1	L563 Q564 R619	L563-D566 PolarHBondContact O-N 2.8Å; Q564-D566 VanDerWaalsContact C-N 3.27Å; Q564-D566 PolarHBondContact O-N 3.3Å; D566-R619 VanDerWaalsContact CG-NH1 3.26Å; D566-R619 IonicContact OD1-CZ 3.92Å; D566-R619 IonicContact OD1-NH1 3.58Å; D566-R619 PolarHBondContact OD1-NH1 2.97Å; D566-R619 IonicContact OD1-NH2 3.72Å; D566-R619 PolarHBondContact OD1-NH2 3.39Å; D566-R619 IonicContact OD2-CZ 3.63Å; D566-R619 IonicContact OD2-NH1 3.69Å; D566-R619 PolarHBondContact OD2-NH1 3.17Å; D566-R619 IonicContact OD2-NH2 2.75Å; D566-R619 PolarHBondContact OD2-NH2 3.36Å
567	Y	72.5	Confident	74.1	Confident	152 Å²	152	65 Å²	65	60%	0.596	33%	0.334	S	S	*	.			trans	-133.3	79.6	-176	-59.2	-75.5	0	0	0	110.6	L563 Y569 T570	L563-Y567 PolarHBondContact O-N 3Å; Y567-Y569 PolarHBondContact O-N 2.93Å; Y567-T570 PolarHBondContact O-N 3.34Å; Y567-T570 PolarHBondContact O-OG1 2.97Å
568	P	62	Low	74.1	Confident	54 Å²	54	64.5 Å²	64.5	35%	0.351	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	0.3	-176.7	27.3	-35.3	0	0	0	114.5	T570 Q574	P568-T570 VanDerWaalsContact C-N 3.32Å; P568-Q574 HydrophobicContact CB-CB 4.28Å
569	Y	54.1	Low	73.8	Confident	219 Å²	219	65.4 Å²	65.4	86%	0.859	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-9.4	179.6	-60.4	-74.1	0	0	0	113.6	Y567	Y567-Y569 PolarHBondContact O-N 2.93Å
570	T	50	Low	73.6	Confident	82 Å²	82	62.6 Å²	62.6	50%	0.503	32%	0.324	S	S	.	.	S	Bend	trans	-111.7	96.4	-178	51.8	0	0	0	0	110.4	Q564 Y567 P568	Q564-T570 WeakPolarHBondContact CG-O 3.33Å; Y567-T570 PolarHBondContact O-N 3.34Å; Y567-T570 PolarHBondContact O-OG1 2.97Å; P568-T570 VanDerWaalsContact C-N 3.32Å
571	Q	49.5	Very low	73.8	Confident	171 Å²	171	58.3 Å²	58.3	80%	0.799	30%	0.301	S	S	*	.	S	Bend	trans	58.7	93.4	172.1	-60	-173.8	-4.1	0	0	115.9	Q564	Q564-Q571 PolarHBondContact NE2-O 3.38Å; Q564-Q571 PolarHBondContact OE1-O 3.09Å
572	G	57.6	Low	73.9	Confident	53 Å²	53	59.6 Å²	59.6	55%	0.546	31%	0.307	S	S	.	.	S	Bend	trans	106.7	168	170.6	0	0	0	0	0	114
573	S	66.5	Low	73.8	Confident	56 Å²	56	61.9 Å²	61.9	39%	0.392	32%	0.318	S	S	.	.			trans	-85	150.2	174.2	71.1	0	0	0	0	110.5	D575 T576 A577	S573-D575 PolarHBondContact O-N 2.94Å; S573-T576 PolarHBondContact N-OG1 3.37Å; S573-T576 PolarHBondContact O-N 3.4Å; S573-T576 VanDerWaalsContact O-N 3.12Å; S573-T576 PolarHBondContact O-OG1 3.46Å; S573-T576 WeakPolarHBondContact OG-CG2 3.43Å; S573-T576 PolarHBondContact OG-N 3.02Å; S573-T576 PolarHBondContact OG-OG1 3.22Å; S573-A577 PolarHBondContact O-N 2.96Å
574	Q	74.3	Confident	74	Confident	87 Å²	87	57.9 Å²	57.9	41%	0.407	30%	0.297	S	S	.	.	H	α-helix	trans	-54.6	-38.6	175.6	-167.5	179.5	16.5	0	0	111.5	L565 P568 T576 A577 I578	L565-Q574 PolarHBondContact O-NE2 2.05Å; L565-Q574 VanDerWaalsContact O-NE2 3.16Å; P568-Q574 HydrophobicContact CB-CB 4.28Å; Q574-T576 PolarHBondContact O-N 2.98Å; Q574-A577 PolarHBondContact O-N 3.32Å; Q574-I578 HydrophobicContact CG-CD1 4.11Å; Q574-I578 VanDerWaalsContact O-CG1 3.31Å; Q574-I578 WeakPolarHBondContact O-CG1 3.31Å; Q574-I578 PolarHBondContact O-N 2.93Å
575	D	74.9	Confident	74.4	Confident	52 Å²	52	57.9 Å²	57.9	28%	0.278	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-36.5	-179.7	-65	-15.7	0	0	0	112.5	M356 S573 L579 F627	M356-D575 HydrophobicContact CE-CB 3.63Å; M356-D575 HydrophobicContact SD-CB 4.45Å; S573-D575 PolarHBondContact O-N 2.94Å; D575-L579 WeakPolarHBondContact O-CB 3.4Å; D575-L579 WeakPolarHBondContact O-CG 3.43Å; D575-L579 PolarHBondContact O-N 3.18Å; D575-F627 HydrophobicContact CB-CE2 3.81Å; D575-F627 HydrophobicContact CB-CZ 4.17Å; D575-F627 WeakPolarHBondContact OD1-CE2 3.22Å
576	T	78.1	Confident	74.7	Confident	46 Å²	46	60.3 Å²	60.3	28%	0.282	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-40.8	175.8	40.9	0	0	0	0	112.3	M356 S573 Q574 L579 Q580	M356-T576 HydrophobicContact CE-CG2 3.84Å; S573-T576 PolarHBondContact N-OG1 3.37Å; S573-T576 PolarHBondContact O-N 3.4Å; S573-T576 VanDerWaalsContact O-N 3.12Å; S573-T576 PolarHBondContact O-OG1 3.46Å; S573-T576 WeakPolarHBondContact OG-CG2 3.43Å; S573-T576 PolarHBondContact OG-N 3.02Å; S573-T576 PolarHBondContact OG-OG1 3.22Å; Q574-T576 PolarHBondContact O-N 2.98Å; T576-L579 PolarHBondContact O-N 3.44Å; T576-Q580 WeakPolarHBondContact O-CG 3.41Å; T576-Q580 PolarHBondContact O-N 2.96Å; T576-Q580 VanDerWaalsContact O-N 3.1Å
577	A	81.1	Confident	75.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-41.2	177.5	0	0	0	0	0	111.7	L561 Q564 L565 S573 Q574 Q580 L581	L561-A577 HydrophobicContact CD2-CB 4.41Å; Q564-A577 HydrophobicContact CB-CB 3.94Å; L565-A577 HydrophobicContact CD2-CB 4.38Å; S573-A577 PolarHBondContact O-N 2.96Å; Q574-A577 PolarHBondContact O-N 3.32Å; A577-Q580 PolarHBondContact O-N 3.21Å; A577-L581 WeakPolarHBondContact O-CG 2.82Å; A577-L581 PolarHBondContact O-N 3.36Å
578	I	84.8	Confident	76	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-43.4	176	-67.9	172.4	0	0	0	111.1	L565 Q574 L581 L582 L624 F627	L565-I578 HydrophobicContact CD2-CB 4.42Å; L565-I578 HydrophobicContact CD2-CD1 4.09Å; L565-I578 HydrophobicContact CD2-CG1 3.25Å; Q574-I578 HydrophobicContact CG-CD1 4.11Å; Q574-I578 VanDerWaalsContact O-CG1 3.31Å; Q574-I578 WeakPolarHBondContact O-CG1 3.31Å; Q574-I578 PolarHBondContact O-N 2.93Å; I578-L581 PolarHBondContact O-N 3.03Å; I578-L582 HydrophobicContact CG2-CD1 4.27Å; I578-L582 HydrophobicContact CG2-CG 4.48Å; I578-L582 WeakPolarHBondContact O-CG 3.48Å; I578-L582 PolarHBondContact O-N 3.28Å; I578-L624 HydrophobicContact CG2-CD2 4.05Å; I578-F627 HydrophobicContact CB-CD1 4.45Å; I578-F627 HydrophobicContact CB-CD2 4.45Å; I578-F627 HydrophobicContact CB-CG 4.3Å; I578-F627 HydrophobicContact CD1-CB 4.4Å; I578-F627 HydrophobicContact CD1-CD2 4.15Å; I578-F627 HydrophobicContact CD1-CG 4.43Å; I578-F627 HydrophobicContact CG2-CB 3.56Å; I578-F627 HydrophobicContact CG2-CD1 3.5Å; I578-F627 VanDerWaalsContact CG2-CD1 3.5Å; I578-F627 HydrophobicContact CG2-CD2 4.02Å; I578-F627 HydrophobicContact CG2-CE1 4.13Å; I578-F627 HydrophobicContact CG2-CG 3.42Å; I578-F627 VanDerWaalsContact CG2-CG 3.42Å
579	L	81.2	Confident	77.2	Confident	20 Å²	20	50.8 Å²	50.8	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-43.6	177.1	-80.6	173.7	0	0	0	112.7	M356 A358 D575 T576 L581 L582 E583 F627 L631	M356-L579 HydrophobicContact CB-CD1 3.5Å; M356-L579 HydrophobicContact CE-CD1 3.42Å; M356-L579 VanDerWaalsContact CE-CD1 3.42Å; A358-L579 HydrophobicContact CB-CB 4.2Å; D575-L579 WeakPolarHBondContact O-CB 3.4Å; D575-L579 WeakPolarHBondContact O-CG 3.43Å; D575-L579 PolarHBondContact O-N 3.18Å; T576-L579 PolarHBondContact O-N 3.44Å; L579-L581 PolarHBondContact O-N 2.9Å; L579-L582 WeakPolarHBondContact O-CB 3.2Å; L579-L582 PolarHBondContact O-N 3.27Å; L579-E583 PolarHBondContact O-N 3.33Å; L579-F627 HydrophobicContact CD1-CZ 4.47Å; L579-F627 HydrophobicContact CD2-CE1 3.62Å; L579-F627 HydrophobicContact CD2-CZ 4.21Å; L579-F627 HydrophobicContact CG-CE1 3.74Å; L579-F627 HydrophobicContact CG-CZ 3.93Å; L579-L631 HydrophobicContact CD2-CD1 4.33Å
580	Q	84.6	Confident	78.6	Confident	19 Å²	19	49.3 Å²	49.3	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-41.4	176.9	-72.9	170.6	-28.9	0	0	111.7	A358 L561 T576 A577 E583 I584	A358-Q580 HydrophobicContact CB-CG 4.36Å; L561-Q580 HydrophobicContact CD1-CB 4.27Å; T576-Q580 WeakPolarHBondContact O-CG 3.41Å; T576-Q580 PolarHBondContact O-N 2.96Å; T576-Q580 VanDerWaalsContact O-N 3.1Å; A577-Q580 PolarHBondContact O-N 3.21Å; Q580-E583 PolarHBondContact O-N 3.48Å; Q580-I584 VanDerWaalsContact O-CG1 3.28Å; Q580-I584 WeakPolarHBondContact O-CG1 3.49Å; Q580-I584 PolarHBondContact O-N 3.18Å
581	L	88.3	Confident	80.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-37	175.1	-72.4	171.7	0	0	0	112.6	I558 L561 I562 L565 A577 I578 L579 I584 R585 F602 L624	I558-L581 HydrophobicContact CG2-CD2 4.34Å; L561-L581 HydrophobicContact CB-CD2 4.34Å; L561-L581 HydrophobicContact CB-CG 4.47Å; L561-L581 HydrophobicContact CD1-CD2 4.38Å; I562-L581 HydrophobicContact CG1-CD1 4.33Å; I562-L581 HydrophobicContact CG1-CD2 4.31Å; L565-L581 HydrophobicContact CD1-CD1 3.68Å; L565-L581 HydrophobicContact CD2-CD1 4.28Å; L565-L581 HydrophobicContact CG-CD1 4.17Å; A577-L581 WeakPolarHBondContact O-CG 2.82Å; A577-L581 PolarHBondContact O-N 3.36Å; I578-L581 PolarHBondContact O-N 3.03Å; L579-L581 PolarHBondContact O-N 2.9Å; L581-I584 PolarHBondContact O-N 3.42Å; L581-R585 WeakPolarHBondContact O-CB 3.49Å; L581-R585 PolarHBondContact O-N 3.04Å; L581-F602 HydrophobicContact CD2-CZ 4.43Å; L581-L624 HydrophobicContact CB-CD2 3.79Å
582	L	86.6	Confident	81.7	Confident	29 Å²	29	39.4 Å²	39.4	15%	0.152	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-43.6	173.2	-78.1	175	0	0	0	111.5	I578 L579 R585 D586 L624 F627 L631	I578-L582 HydrophobicContact CG2-CD1 4.27Å; I578-L582 HydrophobicContact CG2-CG 4.48Å; I578-L582 WeakPolarHBondContact O-CG 3.48Å; I578-L582 PolarHBondContact O-N 3.28Å; L579-L582 WeakPolarHBondContact O-CB 3.2Å; L579-L582 PolarHBondContact O-N 3.27Å; L582-R585 WeakPolarHBondContact O-CB 3.4Å; L582-R585 PolarHBondContact O-N 3.01Å; L582-D586 PolarHBondContact O-N 3.08Å; L582-L624 HydrophobicContact CD2-CB 3.87Å; L582-L624 HydrophobicContact CD2-CD2 3.72Å; L582-L624 HydrophobicContact CD2-CG 4.26Å; L582-L624 HydrophobicContact CG-CD2 3.65Å; L582-F627 HydrophobicContact CD1-CD1 3.77Å; L582-F627 HydrophobicContact CD1-CE1 4.26Å; L582-L631 HydrophobicContact CD1-CD1 4.36Å
583	E	85.5	Confident	82.4	Confident	59 Å²	59	37.6 Å²	37.6	28%	0.276	18%	0.182	S	C	.	.	H	α-helix	trans	-64.6	-45.2	177.2	-171.2	-169	145.5	0	0	111.5	A358 T361 L579 Q580 R585 D586 R587	A358-E583 WeakPolarHBondContact CB-OE2 3.43Å; T361-E583 HydrophobicContact CG2-CB 4.02Å; T361-E583 HydrophobicContact CG2-CG 4.03Å; T361-E583 WeakPolarHBondContact CG2-OE1 3.28Å; T361-E583 WeakPolarHBondContact CG2-OE2 3.49Å; T361-E583 PolarHBondContact OG1-OE1 3.17Å; L579-E583 PolarHBondContact O-N 3.33Å; Q580-E583 PolarHBondContact O-N 3.48Å; E583-R585 VanDerWaalsContact C-N 3.33Å; E583-R585 PolarHBondContact O-N 3.16Å; E583-D586 PolarHBondContact O-N 3.16Å; E583-R587 HydrophobicContact CG-CG 4.38Å; E583-R587 VanDerWaalsContact O-CG 3.31Å; E583-R587 WeakPolarHBondContact O-CG 3.17Å; E583-R587 PolarHBondContact O-N 3.11Å; E583-R587 IonicContact OE1-NH1 3.09Å
584	I	88.1	Confident	82.4	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-46.1	175.5	-66	165.8	0	0	0	110.2	T361 Y364 L561 Q580 L581 D586 R587 V588 F602	T361-I584 HydrophobicContact CG2-CG1 3.94Å; Y364-I584 HydrophobicContact CD2-CD1 4.08Å; Y364-I584 HydrophobicContact CG-CD1 3.96Å; L561-I584 HydrophobicContact CD1-CD1 4.12Å; Q580-I584 VanDerWaalsContact O-CG1 3.28Å; Q580-I584 WeakPolarHBondContact O-CG1 3.49Å; Q580-I584 PolarHBondContact O-N 3.18Å; L581-I584 PolarHBondContact O-N 3.42Å; I584-D586 VanDerWaalsContact C-N 3.34Å; I584-D586 PolarHBondContact O-N 3.23Å; I584-R587 PolarHBondContact O-N 3.1Å; I584-V588 HydrophobicContact CG2-CG2 4.19Å; I584-V588 WeakPolarHBondContact O-CB 3.41Å; I584-V588 VanDerWaalsContact O-CG2 3.24Å; I584-V588 WeakPolarHBondContact O-CG2 3.14Å; I584-V588 PolarHBondContact O-N 3.34Å; I584-F602 HydrophobicContact CB-CE2 4.41Å; I584-F602 HydrophobicContact CG2-CD2 4.22Å; I584-F602 HydrophobicContact CG2-CE2 3.84Å
585	R	88.2	Confident	82.1	Confident	26 Å²	26	36.7 Å²	36.7	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-55.9	-48.8	176.2	174.9	-175.9	170.3	-155.7	-3.9	111	L581 L582 E583 N589 F602	L581-R585 WeakPolarHBondContact O-CB 3.49Å; L581-R585 PolarHBondContact O-N 3.04Å; L582-R585 WeakPolarHBondContact O-CB 3.4Å; L582-R585 PolarHBondContact O-N 3.01Å; E583-R585 VanDerWaalsContact C-N 3.33Å; E583-R585 PolarHBondContact O-N 3.16Å; R585-N589 VanDerWaalsContact O-CB 3.29Å; R585-N589 WeakPolarHBondContact O-CB 2.96Å; R585-N589 PolarHBondContact O-N 2.55Å; R585-F602 HydrophobicContact CB-CB 4.3Å; R585-F602 HydrophobicContact CB-CD1 3.83Å; R585-F602 HydrophobicContact CB-CD2 4.03Å; R585-F602 HydrophobicContact CB-CE1 4.09Å; R585-F602 HydrophobicContact CB-CE2 4.3Å; R585-F602 HydrophobicContact CB-CG 3.79Å; R585-F602 HydrophobicContact CB-CZ 4.32Å; R585-F602 HydrophobicContact CG-CB 4.02Å; R585-F602 HydrophobicContact CG-CD1 3.84Å; R585-F602 HydrophobicContact CG-CE1 4.46Å; R585-F602 HydrophobicContact CG-CG 3.92Å
586	D	85.6	Confident	81.5	Confident	66 Å²	66	44.2 Å²	44.2	35%	0.353	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-45.3	-177.8	-169.2	56.2	0	0	0	112.1	L582 E583 I584 V588 N589 R590 Y637	L582-D586 PolarHBondContact O-N 3.08Å; E583-D586 PolarHBondContact O-N 3.16Å; I584-D586 VanDerWaalsContact C-N 3.34Å; I584-D586 PolarHBondContact O-N 3.23Å; D586-V588 PolarHBondContact O-N 3.27Å; D586-N589 PolarHBondContact O-N 2.83Å; D586-R590 WeakPolarHBondContact O-CB 3.22Å; D586-R590 PolarHBondContact O-N 3.23Å; D586-Y637 VanDerWaalsContact OD1-CE1 3.31Å; D586-Y637 WeakPolarHBondContact OD1-CE1 3.41Å; D586-Y637 PolarHBondContact OD1-OH 3.05Å
587	R	85.9	Confident	81.3	Confident	70 Å²	70	46.4 Å²	46.4	26%	0.264	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-41.8	178.3	-65.9	178.9	76.5	169.5	12.2	112.1	T361 F367 E583 I584	T361-R587 PolarHBondContact OG1-NH1 3.09Å; F367-R587 HydrophobicContact CE1-CB 4.03Å; F367-R587 HydrophobicContact CE2-CB 3.68Å; F367-R587 HydrophobicContact CE2-CG 4.33Å; F367-R587 VanDerWaalsContact CE2-NE 3.29Å; F367-R587 HydrophobicContact CZ-CB 3.34Å; F367-R587 HydrophobicContact CZ-CG 4.43Å; E583-R587 HydrophobicContact CG-CG 4.38Å; E583-R587 VanDerWaalsContact O-CG 3.31Å; E583-R587 WeakPolarHBondContact O-CG 3.17Å; E583-R587 PolarHBondContact O-N 3.11Å; E583-R587 IonicContact OE1-NH1 3.09Å; I584-R587 PolarHBondContact O-N 3.1Å
588	V	88.4	Confident	81.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-47.9	178	171.1	0	0	0	0	111.2	L365 F367 F500 I584 D586 R590 L591 L601 F602 L605	L365-V588 HydrophobicContact CD2-CG2 4.22Å; F367-V588 HydrophobicContact CZ-CG2 4.22Å; F500-V588 HydrophobicContact CE2-CG1 4.25Å; I584-V588 HydrophobicContact CG2-CG2 4.19Å; I584-V588 WeakPolarHBondContact O-CB 3.41Å; I584-V588 VanDerWaalsContact O-CG2 3.24Å; I584-V588 WeakPolarHBondContact O-CG2 3.14Å; I584-V588 PolarHBondContact O-N 3.34Å; D586-V588 PolarHBondContact O-N 3.27Å; V588-R590 VanDerWaalsContact C-N 3.31Å; V588-R590 PolarHBondContact O-N 3.36Å; V588-L591 PolarHBondContact O-N 3.47Å; V588-L601 HydrophobicContact CG1-CB 3.73Å; V588-F602 HydrophobicContact CG1-CB 4.45Å; V588-L605 HydrophobicContact CG2-CD1 4.32Å
589	N	88.5	Confident	81.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.6	-23.1	-178.3	-73.4	-12.7	0	0	0	112.9	R585 D586 L591 S592 M599 L601 F602 Y637	R585-N589 VanDerWaalsContact O-CB 3.29Å; R585-N589 WeakPolarHBondContact O-CB 2.96Å; R585-N589 PolarHBondContact O-N 2.55Å; D586-N589 PolarHBondContact O-N 2.83Å; N589-L591 PolarHBondContact O-N 3.4Å; N589-S592 WeakPolarHBondContact O-CB 3.33Å; N589-S592 PolarHBondContact O-N 3.03Å; N589-S592 VanDerWaalsContact O-N 3.08Å; N589-S592 PolarHBondContact O-OG 2.9Å; N589-M599 PolarHBondContact OD1-O 3.38Å; N589-L601 PolarHBondContact OD1-N 2.9Å; N589-F602 PolarHBondContact OD1-N 2.96Å; N589-Y637 HydrophobicContact CB-CE2 4.15Å; N589-Y637 WeakPolarHBondContact CB-OH 3.18Å
590	R	83.6	Confident	81.7	Confident	188 Å²	188	51 Å²	51	71%	0.709	26%	0.259	S	S	*	.	H	α-helix	trans	-65.6	-25.4	171.2	-174.3	173.4	-178.6	177.5	-0.2	113	D586 V588 S592	D586-R590 WeakPolarHBondContact O-CB 3.22Å; D586-R590 PolarHBondContact O-N 3.23Å; V588-R590 VanDerWaalsContact C-N 3.31Å; V588-R590 PolarHBondContact O-N 3.36Å; R590-S592 PolarHBondContact O-N 3.07Å
591	L	82.3	Confident	81.9	Confident	30 Å²	30	50.1 Å²	50.1	16%	0.157	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	11.9	172.8	-63.2	178.6	0	0	0	112.9	F367 M428 F500 V588 N589	F367-L591 HydrophobicContact CD1-CD1 3.88Å; F367-L591 HydrophobicContact CE1-CD1 3.65Å; M428-L591 HydrophobicContact CE-CD1 4.26Å; M428-L591 HydrophobicContact SD-CD1 4.3Å; F500-L591 HydrophobicContact CD2-CB 4.24Å; F500-L591 HydrophobicContact CE2-CB 3.74Å; F500-L591 HydrophobicContact CE2-CD1 3.68Å; F500-L591 HydrophobicContact CE2-CG 4.35Å; F500-L591 HydrophobicContact CZ-CD1 3.69Å; V588-L591 PolarHBondContact O-N 3.47Å; N589-L591 PolarHBondContact O-N 3.4Å
592	S	82.4	Confident	82	Confident	15 Å²	15	50.1 Å²	50.1	11%	0.105	26%	0.255	C	S	.	.	S	Bend	trans	-64.1	147.6	169.6	60.4	0	0	0	0	110.8	N589 R590 K598	N589-S592 WeakPolarHBondContact O-CB 3.33Å; N589-S592 PolarHBondContact O-N 3.03Å; N589-S592 VanDerWaalsContact O-N 3.08Å; N589-S592 PolarHBondContact O-OG 2.9Å; R590-S592 PolarHBondContact O-N 3.07Å; S592-K598 WeakPolarHBondContact OG-CB 3.24Å
593	P	71.8	Confident	82.2	Confident	15 Å²	15	49.3 Å²	49.3	10%	0.097	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-55.9	142.2	177	-20.9	30.9	0	0	0	111.1	W463 G595	W463-P593 HydrophobicContact CD2-CB 4.22Å; W463-P593 HydrophobicContact CD2-CG 3.56Å; W463-P593 HydrophobicContact CE3-CB 3.95Å; W463-P593 HydrophobicContact CE3-CG 3.81Å; W463-P593 HydrophobicContact CG-CG 4.26Å; W463-P593 HydrophobicContact CH2-CB 3.45Å; W463-P593 VanDerWaalsContact CH2-CB 3.45Å; W463-P593 HydrophobicContact CH2-CG 3.58Å; W463-P593 HydrophobicContact CZ2-CB 3.71Å; W463-P593 HydrophobicContact CZ2-CG 3.26Å; W463-P593 HydrophobicContact CZ3-CB 3.57Å; W463-P593 HydrophobicContact CZ3-CG 3.83Å; P593-G595 PolarHBondContact O-N 3.27Å; P593-G595 VanDerWaalsContact O-N 3.17Å
594	A	67.3	Low	82.4	Confident	62 Å²	62	46.5 Å²	46.5	51%	0.512	24%	0.24	S	C	.	.	S	Bend	trans	-66.3	117.9	178.8	0	0	0	0	0	110.9	W497	W497-A594 HydrophobicContact CE3-CB 3.88Å; W497-A594 HydrophobicContact CH2-CB 4.27Å; W497-A594 HydrophobicContact CZ3-CB 3.36Å
595	G	66.3	Low	82.5	Confident	61 Å²	61	46.5 Å²	46.5	63%	0.629	24%	0.24	S	C	*	.	S	Bend	trans	-156.2	-179.2	179.5	0	0	0	0	0	110.5	P593 Q597	P593-G595 PolarHBondContact O-N 3.27Å; P593-G595 VanDerWaalsContact O-N 3.17Å; G595-Q597 VanDerWaalsContact C-N 3.28Å; G595-Q597 PolarHBondContact O-N 3.4Å
596	Q	63.5	Low	82.6	Confident	211 Å²	211	45.2 Å²	45.2	99%	0.986	24%	0.235	S	C	*	.	S	Bend	trans	-62	-33.4	-178.6	-78.5	-179.7	-18.6	0	0	113.3
597	Q	73.6	Confident	82.8	Confident	92 Å²	92	45.4 Å²	45.4	43%	0.43	23%	0.231	S	C	.	.	S	Bend	trans	-130.3	146.7	175.2	-72	-176.9	-25.5	0	0	109.8	G595 E638 T640	G595-Q597 VanDerWaalsContact C-N 3.28Å; G595-Q597 PolarHBondContact O-N 3.4Å; Q597-E638 PolarHBondContact NE2-OE2 2.92Å; Q597-T640 HydrophobicContact CB-CG2 3.87Å
598	K	82.3	Confident	82.9	Confident	77 Å²	77	44.4 Å²	44.4	34%	0.335	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.9	178.2	-70.2	-178.6	-177.8	173.2	0	109.9	S592 Y637 T639 T640	S592-K598 WeakPolarHBondContact OG-CB 3.24Å; K598-Y637 HydrophobicContact CB-CD2 4.35Å; K598-Y637 HydrophobicContact CB-CE2 4.4Å; K598-Y637 HydrophobicContact CD-CD2 3.83Å; K598-Y637 HydrophobicContact CD-CE2 3.76Å; K598-Y637 HydrophobicContact CD-CG 4.44Å; K598-T639 HydrophobicContact CB-CG2 4.42Å; K598-T639 CarbonylContact O-C 3.59Å; K598-T639 WeakPolarHBondContact O-CA 3.29Å; K598-T639 WeakPolarHBondContact O-CB 3.49Å; K598-T640 PolarHBondContact O-N 3.37Å; K598-T640 PolarHBondContact O-OG1 3.16Å
599	M	85.1	Confident	82.8	Confident	40 Å²	40	45.6 Å²	45.6	20%	0.197	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.9	173.7	-67.4	-73.6	-138.7	0	0	111	W463 N589 L601 T640 L642	W463-M599 HydrophobicContact CB-CE 3.79Å; N589-M599 PolarHBondContact OD1-O 3.38Å; M599-L601 VanDerWaalsContact C-N 3.27Å; M599-L601 HydrophobicContact CB-CD2 4.13Å; M599-L601 HydrophobicContact CB-CG 4.28Å; M599-L601 PolarHBondContact O-N 3.01Å; M599-T640 PolarHBondContact SD-OG1 3.02Å; M599-L642 HydrophobicContact CE-CD1 3.88Å; M599-L642 HydrophobicContact SD-CB 4.24Å
600	D	87.6	Confident	82.8	Confident	9 Å²	9	45.7 Å²	45.7	5%	0.048	23%	0.234	C	C	.	.			trans	-79.3	74.8	174	-166.3	2.5	0	0	0	111.8	F602 A603 F621 T640	D600-F602 VanDerWaalsContact C-N 3.3Å; D600-A603 HydrophobicContact CB-CB 4.4Å; D600-A603 PolarHBondContact OD1-N 3.39Å; D600-A603 VanDerWaalsContact OD2-CB 3.32Å; D600-A603 WeakPolarHBondContact OD2-CB 3.25Å; D600-F621 WeakPolarHBondContact OD2-CZ 3.34Å; D600-T640 PolarHBondContact N-O 2.86Å
601	L	89.4	Confident	83.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-28.6	177.9	-65.5	-168.9	0	0	0	112.1	P454 F455 F500 V588 N589 M599 C604 L605 L642	P454-L601 HydrophobicContact CB-CD2 4.28Å; P454-L601 HydrophobicContact CG-CD2 3.87Å; F455-L601 HydrophobicContact CE2-CB 4.15Å; F455-L601 VanDerWaalsContact CE2-O 3.31Å; F455-L601 WeakPolarHBondContact CE2-O 3.41Å; F500-L601 HydrophobicContact CD2-CD1 3.83Å; F500-L601 HydrophobicContact CE2-CD1 4.44Å; V588-L601 HydrophobicContact CG1-CB 3.73Å; N589-L601 PolarHBondContact OD1-N 2.9Å; M599-L601 VanDerWaalsContact C-N 3.27Å; M599-L601 HydrophobicContact CB-CD2 4.13Å; M599-L601 HydrophobicContact CB-CG 4.28Å; M599-L601 PolarHBondContact O-N 3.01Å; L601-C604 WeakPolarHBondContact O-CB 3.41Å; L601-C604 PolarHBondContact O-N 3.06Å; L601-L605 WeakPolarHBondContact O-CB 3.33Å; L601-L605 PolarHBondContact O-N 2.83Å; L601-L642 HydrophobicContact CD2-CD2 4.11Å
602	F	90.8	Very high	83.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-45.1	177.1	-177.2	-111.3	0	0	0	112	L581 I584 R585 V588 N589 D600 C604 L605 L606 F621 L624	L581-F602 HydrophobicContact CD2-CZ 4.43Å; I584-F602 HydrophobicContact CB-CE2 4.41Å; I584-F602 HydrophobicContact CG2-CD2 4.22Å; I584-F602 HydrophobicContact CG2-CE2 3.84Å; R585-F602 HydrophobicContact CB-CB 4.3Å; R585-F602 HydrophobicContact CB-CD1 3.83Å; R585-F602 HydrophobicContact CB-CD2 4.03Å; R585-F602 HydrophobicContact CB-CE1 4.09Å; R585-F602 HydrophobicContact CB-CE2 4.3Å; R585-F602 HydrophobicContact CB-CG 3.79Å; R585-F602 HydrophobicContact CB-CZ 4.32Å; R585-F602 HydrophobicContact CG-CB 4.02Å; R585-F602 HydrophobicContact CG-CD1 3.84Å; R585-F602 HydrophobicContact CG-CE1 4.46Å; R585-F602 HydrophobicContact CG-CG 3.92Å; V588-F602 HydrophobicContact CG1-CB 4.45Å; N589-F602 PolarHBondContact OD1-N 2.96Å; D600-F602 VanDerWaalsContact C-N 3.3Å; F602-C604 VanDerWaalsContact C-N 3.31Å; F602-C604 PolarHBondContact O-N 3.01Å; F602-L605 WeakPolarHBondContact O-CB 3.43Å; F602-L605 PolarHBondContact O-N 2.91Å; F602-L606 HydrophobicContact CD1-CD1 4.06Å; F602-L606 HydrophobicContact CD1-CG 4.47Å; F602-L606 HydrophobicContact CE1-CD1 3.56Å; F602-L606 HydrophobicContact CE1-CG 4.15Å; F602-L606 HydrophobicContact CE2-CD2 4.33Å; F602-L606 HydrophobicContact CE2-CG 4.37Å; F602-L606 HydrophobicContact CZ-CD1 3.88Å; F602-L606 HydrophobicContact CZ-CD2 4.11Å; F602-L606 HydrophobicContact CZ-CG 4.1Å; F602-L606 WeakPolarHBondContact O-CG 3.45Å; F602-L606 PolarHBondContact O-N 3.43Å; F602-F621 HydrophobicContact CD1-CE2 4.35Å; F602-F621 AromaticContact CD1-CZ 3.96Å; F602-F621 HydrophobicContact CD1-CZ 3.96Å; F602-L624 HydrophobicContact CE1-CD1 4.06Å
603	A	89.8	Confident	83.7	Confident	12 Å²	12	46.9 Å²	46.9	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-42.8	174	0	0	0	0	0	112.5	D600 L606 R607 V617 F621	D600-A603 HydrophobicContact CB-CB 4.4Å; D600-A603 PolarHBondContact OD1-N 3.39Å; D600-A603 VanDerWaalsContact OD2-CB 3.32Å; D600-A603 WeakPolarHBondContact OD2-CB 3.25Å; A603-L606 PolarHBondContact O-N 3.49Å; A603-R607 WeakPolarHBondContact O-CB 3.5Å; A603-R607 PolarHBondContact O-N 3.28Å; A603-V617 HydrophobicContact CB-CG1 4.19Å; A603-F621 HydrophobicContact CB-CE2 3.79Å; A603-F621 HydrophobicContact CB-CZ 4.14Å
604	C	89.6	Confident	84.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-42.3	175.9	-69.4	0	0	0	0	112.2	F455 L601 F602 R607 H608 C643	F455-C604 HydrophobicContact CD2-CB 3.72Å; F455-C604 HydrophobicContact CE2-CB 4.38Å; L601-C604 WeakPolarHBondContact O-CB 3.41Å; L601-C604 PolarHBondContact O-N 3.06Å; F602-C604 VanDerWaalsContact C-N 3.31Å; F602-C604 PolarHBondContact O-N 3.01Å; C604-R607 PolarHBondContact O-N 2.99Å; C604-H608 WeakPolarHBondContact O-CB 2.97Å; C604-H608 PolarHBondContact O-CD2 3.27Å; C604-H608 VanDerWaalsContact O-CD2 3.28Å; C604-H608 PolarHBondContact O-N 3.11Å; C604-C643 VanDerWaalsContact CA-SG 3.59Å; C604-C643 HydrophobicContact CB-CB 3.94Å; C604-C643 WeakPolarHBondContact CB-SG 3.45Å; C604-C643 WeakPolarHBondContact SG-CB 3.34Å; C604-C643 PolarHBondContact SG-N 3.25Å; C604-C643 VanDerWaalsContact SG-N 3.42Å; C604-C643 CovalentContact SG-SG 2.03Å; C604-C643 PolarHBondContact SG-SG 3Å
605	L	90.4	Very high	85.4	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-47.6	177.4	179.7	147.6	0	0	0	110.9	F455 F553 V588 L601 F602 R607 R609 L610	F455-L605 HydrophobicContact CD2-CB 4.05Å; F455-L605 HydrophobicContact CE1-CB 4.33Å; F455-L605 HydrophobicContact CE1-CD1 3.9Å; F455-L605 HydrophobicContact CE1-CG 4.41Å; F455-L605 HydrophobicContact CE2-CB 3.85Å; F455-L605 HydrophobicContact CG-CB 4.38Å; F455-L605 HydrophobicContact CZ-CB 4Å; F455-L605 HydrophobicContact CZ-CD1 3.89Å; F455-L605 HydrophobicContact CZ-CG 4.44Å; F553-L605 HydrophobicContact CE2-CD1 4.17Å; F553-L605 HydrophobicContact CE2-CD2 3.99Å; F553-L605 HydrophobicContact CE2-CG 4.21Å; F553-L605 HydrophobicContact CZ-CD2 4.43Å; V588-L605 HydrophobicContact CG2-CD1 4.32Å; L601-L605 WeakPolarHBondContact O-CB 3.33Å; L601-L605 PolarHBondContact O-N 2.83Å; F602-L605 WeakPolarHBondContact O-CB 3.43Å; F602-L605 PolarHBondContact O-N 2.91Å; L605-R607 PolarHBondContact O-N 2.94Å; L605-R609 WeakPolarHBondContact O-CA 3.48Å; L605-R609 VanDerWaalsContact O-CB 3.27Å; L605-R609 WeakPolarHBondContact O-CB 2.95Å; L605-R609 PolarHBondContact O-N 3.38Å; L605-L610 HydrophobicContact CD2-CD1 3.69Å; L605-L610 PolarHBondContact O-N 3.16Å
606	L	90.6	Very high	86.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-45.2	176.3	-70.5	-175.1	0	0	0	112.2	I562 F602 A603 L610 K611 L612 V617 I620	I562-L606 HydrophobicContact CD1-CD2 4.03Å; F602-L606 HydrophobicContact CD1-CD1 4.06Å; F602-L606 HydrophobicContact CD1-CG 4.47Å; F602-L606 HydrophobicContact CE1-CD1 3.56Å; F602-L606 HydrophobicContact CE1-CG 4.15Å; F602-L606 HydrophobicContact CE2-CD2 4.33Å; F602-L606 HydrophobicContact CE2-CG 4.37Å; F602-L606 HydrophobicContact CZ-CD1 3.88Å; F602-L606 HydrophobicContact CZ-CD2 4.11Å; F602-L606 HydrophobicContact CZ-CG 4.1Å; F602-L606 WeakPolarHBondContact O-CG 3.45Å; F602-L606 PolarHBondContact O-N 3.43Å; A603-L606 PolarHBondContact O-N 3.49Å; L606-L610 HydrophobicContact CD2-CD1 4.17Å; L606-L610 HydrophobicContact CD2-CD2 4.1Å; L606-L610 VanDerWaalsContact O-CB 3.3Å; L606-L610 WeakPolarHBondContact O-CB 3.32Å; L606-L610 PolarHBondContact O-N 3.03Å; L606-K611 PolarHBondContact O-N 3.06Å; L606-L612 HydrophobicContact CB-CD1 4.17Å; L606-L612 HydrophobicContact CD2-CD1 4.14Å; L606-L612 PolarHBondContact O-N 2.85Å; L606-V617 HydrophobicContact CB-CG2 3.97Å; L606-V617 HydrophobicContact CD1-CG1 4.38Å; L606-V617 HydrophobicContact CD1-CG2 4.47Å; L606-I620 HydrophobicContact CD1-CD1 4.27Å; L606-I620 HydrophobicContact CD1-CG2 4.45Å
607	R	89.4	Confident	87.7	Confident	70 Å²	70	41.7 Å²	41.7	26%	0.264	21%	0.211	S	C	.	.	H	α-helix	trans	-70.4	-48.7	-177.6	-175.9	-173.8	164.5	110.2	-12.5	112.9	E461 A603 C604 L605 K611 S644	E461-R607 IonicContact OE1-NE 3.23Å; E461-R607 IonicContact OE1-NH2 3.9Å; A603-R607 WeakPolarHBondContact O-CB 3.5Å; A603-R607 PolarHBondContact O-N 3.28Å; C604-R607 PolarHBondContact O-N 2.99Å; L605-R607 PolarHBondContact O-N 2.94Å; R607-K611 WeakPolarHBondContact O-CA 3.3Å; R607-K611 PolarHBondContact O-N 2.84Å; R607-S644 PolarHBondContact NH1-O 2.99Å; R607-S644 PolarHBondContact NH1-OXT 2.86Å; R607-S644 VanDerWaalsContact NH1-OXT 3.08Å; R607-S644 PolarHBondContact NH2-O 2.98Å
608	H	88.4	Confident	88.4	Confident	49 Å²	49	41.9 Å²	41.9	23%	0.227	22%	0.218	C	C	.	.	H	α-helix	trans	-91.2	-37.4	-170.8	-64.8	-73.2	0	0	0	113.5	F455 E461 C604	F455-H608 HydrophobicContact CB-CB 4.09Å; F455-H608 WeakPolarHBondContact O-CB 2.83Å; E461-H608 IonicContact OE1-CE1 2.92Å; E461-H608 IonicContact OE1-NE2 2.76Å; E461-H608 IonicContact OE2-CE1 3.93Å; E461-H608 PolarHBondContact OE2-CE1 2.92Å; E461-H608 IonicContact OE2-NE2 3.61Å; E461-H608 PolarHBondContact OE2-NE2 2.74Å; C604-H608 WeakPolarHBondContact O-CB 2.97Å; C604-H608 PolarHBondContact O-CD2 3.27Å; C604-H608 VanDerWaalsContact O-CD2 3.28Å; C604-H608 PolarHBondContact O-N 3.11Å
609	R	86.9	Confident	88.7	Confident	25 Å²	25	43.1 Å²	43.1	9%	0.094	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-43	-177.9	-57.7	-63.2	-67.3	-160.8	-8.6	112.2	N419 T423 M425 F455 E502 F553 L605	N419-R609 PolarHBondContact ND2-NH1 3.18Å; N419-R609 VanDerWaalsContact ND2-NH1 3.18Å; N419-R609 PolarHBondContact ND2-NH2 3.49Å; T423-R609 VanDerWaalsContact C-NH2 3.27Å; T423-R609 PolarHBondContact O-NH2 2.96Å; M425-R609 PolarHBondContact O-NH2 3.46Å; F455-R609 HydrophobicContact CB-CG 4.06Å; F455-R609 HydrophobicContact CD1-CG 3.93Å; F455-R609 HydrophobicContact CG-CG 4.27Å; E502-R609 IonicContact OE1-NH1 3.02Å; E502-R609 WeakPolarHBondContact OE2-CD 3.3Å; E502-R609 IonicContact OE2-CZ 2.7Å; E502-R609 IonicContact OE2-NH1 3.49Å; E502-R609 PolarHBondContact OE2-NH1 3.48Å; F553-R609 HydrophobicContact CE1-CB 3.64Å; F553-R609 HydrophobicContact CE1-CG 4.36Å; F553-R609 HydrophobicContact CZ-CB 3.58Å; F553-R609 HydrophobicContact CZ-CG 4.41Å; L605-R609 WeakPolarHBondContact O-CA 3.48Å; L605-R609 VanDerWaalsContact O-CB 3.27Å; L605-R609 WeakPolarHBondContact O-CB 2.95Å; L605-R609 PolarHBondContact O-N 3.38Å
610	L	88.4	Confident	88.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-84.6	-13.9	176	-75.4	83.8	0	0	0	113	F553 I558 R559 I562 L605 L606 L612	F553-L610 HydrophobicContact CE2-CD1 4.25Å; F553-L610 HydrophobicContact CZ-CD1 3.7Å; I558-L610 HydrophobicContact CB-CD2 3.99Å; I558-L610 HydrophobicContact CG2-CD1 4.38Å; I558-L610 HydrophobicContact CG2-CD2 3.59Å; R559-L610 HydrophobicContact CG-CD2 3.88Å; R559-L610 HydrophobicContact CG-CG 4.46Å; R559-L610 PolarHBondContact NE-O 2.95Å; R559-L610 PolarHBondContact NH2-O 2.84Å; I562-L610 HydrophobicContact CD1-CD2 3.76Å; L605-L610 HydrophobicContact CD2-CD1 3.69Å; L605-L610 PolarHBondContact O-N 3.16Å; L606-L610 HydrophobicContact CD2-CD1 4.17Å; L606-L610 HydrophobicContact CD2-CD2 4.1Å; L606-L610 VanDerWaalsContact O-CB 3.3Å; L606-L610 WeakPolarHBondContact O-CB 3.32Å; L606-L610 PolarHBondContact O-N 3.03Å; L610-L612 VanDerWaalsContact C-N 3.3Å; L610-L612 HydrophobicContact CB-CD1 4.32Å; L610-L612 HydrophobicContact CB-CG 3.91Å; L610-L612 HydrophobicContact CD2-CD1 4.44Å
611	K	88.4	Confident	88.8	Confident	171 Å²	171	42.5 Å²	42.5	74%	0.743	22%	0.217	S	C	*	.			trans	62.5	32.7	-177.3	-56.9	-179.2	-179.9	175.2	0	113.4	L606 R607	L606-K611 PolarHBondContact O-N 3.06Å; R607-K611 WeakPolarHBondContact O-CA 3.3Å; R607-K611 PolarHBondContact O-N 2.84Å
612	L	88.6	Confident	88.7	Confident	25 Å²	25	45.1 Å²	45.1	13%	0.131	24%	0.238	C	C	.	.			trans	-75.1	148	176.5	-60.3	-178.2	0	0	0	111.5	I562 L606 L610 E616 V617 I620	I562-L612 HydrophobicContact CD1-CD1 3.78Å; L606-L612 HydrophobicContact CB-CD1 4.17Å; L606-L612 HydrophobicContact CD2-CD1 4.14Å; L606-L612 PolarHBondContact O-N 2.85Å; L610-L612 VanDerWaalsContact C-N 3.3Å; L610-L612 HydrophobicContact CB-CD1 4.32Å; L610-L612 HydrophobicContact CB-CG 3.91Å; L610-L612 HydrophobicContact CD2-CD1 4.44Å; L612-E616 HydrophobicContact CB-CB 4.32Å; L612-V617 HydrophobicContact CB-CG2 4.05Å; L612-I620 HydrophobicContact CD1-CD1 3.82Å
613	T	89.4	Confident	88.5	Confident	63 Å²	63	47.4 Å²	47.4	39%	0.387	25%	0.254	S	S	.	.			trans	-71.9	154.9	174.1	62.5	0	0	0	0	111.2	S615 E616 V617	T613-S615 PolarHBondContact O-N 3.5Å; T613-S615 PolarHBondContact OG1-OG 2.64Å; T613-E616 WeakPolarHBondContact CB-OE2 3.28Å; T613-E616 PolarHBondContact N-OE2 3.38Å; T613-E616 PolarHBondContact O-N 3.15Å; T613-E616 VanDerWaalsContact O-N 3.09Å; T613-E616 VanDerWaalsContact OG1-CG 3.23Å; T613-E616 WeakPolarHBondContact OG1-CG 3.44Å; T613-E616 PolarHBondContact OG1-N 3.29Å; T613-E616 PolarHBondContact OG1-OE2 3.45Å; T613-V617 PolarHBondContact O-N 3.1Å; T613-V617 VanDerWaalsContact O-N 3.12Å
614	P	87.7	Confident	88.3	Confident	67 Å²	67	46.9 Å²	46.9	44%	0.435	25%	0.25	S	C	.	.	H	α-helix	trans	-54.9	-37	176.3	-24.1	32.4	0	0	0	113.2	V617 V618	P614-V617 PolarHBondContact O-N 3.43Å; P614-V618 WeakPolarHBondContact O-CG2 3.23Å; P614-V618 PolarHBondContact O-N 3.22Å
615	S	88	Confident	88.1	Confident	85 Å²	85	52.5 Å²	52.5	59%	0.594	28%	0.276	S	S	*	.	H	α-helix	trans	-63.9	-41.7	177.1	38.8	0	0	0	0	112.8	T613 R619	T613-S615 PolarHBondContact O-N 3.5Å; T613-S615 PolarHBondContact OG1-OG 2.64Å; S615-R619 WeakPolarHBondContact O-CB 3.06Å; S615-R619 PolarHBondContact O-N 3.15Å; S615-R619 VanDerWaalsContact O-N 3.07Å
616	E	88.9	Confident	87.7	Confident	74 Å²	74	55.1 Å²	55.1	35%	0.346	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-41.2	177.4	-73	163.3	141.2	0	0	111.2	L612 T613 R619 I620	L612-E616 HydrophobicContact CB-CB 4.32Å; T613-E616 WeakPolarHBondContact CB-OE2 3.28Å; T613-E616 PolarHBondContact N-OE2 3.38Å; T613-E616 PolarHBondContact O-N 3.15Å; T613-E616 VanDerWaalsContact O-N 3.09Å; T613-E616 VanDerWaalsContact OG1-CG 3.23Å; T613-E616 WeakPolarHBondContact OG1-CG 3.44Å; T613-E616 PolarHBondContact OG1-N 3.29Å; T613-E616 PolarHBondContact OG1-OE2 3.45Å; E616-R619 WeakPolarHBondContact O-CB 3.23Å; E616-R619 PolarHBondContact O-N 3.47Å; E616-I620 VanDerWaalsContact O-CG1 3.3Å; E616-I620 WeakPolarHBondContact O-CG1 3.48Å; E616-I620 PolarHBondContact O-N 2.75Å
617	V	88.9	Confident	87.2	Confident	14 Å²	14	55.6 Å²	55.6	9%	0.085	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-48.5	177.2	176.4	0	0	0	0	110.7	A603 L606 L612 T613 P614 R619 I620 F621	A603-V617 HydrophobicContact CB-CG1 4.19Å; L606-V617 HydrophobicContact CB-CG2 3.97Å; L606-V617 HydrophobicContact CD1-CG1 4.38Å; L606-V617 HydrophobicContact CD1-CG2 4.47Å; L612-V617 HydrophobicContact CB-CG2 4.05Å; T613-V617 PolarHBondContact O-N 3.1Å; T613-V617 VanDerWaalsContact O-N 3.12Å; P614-V617 PolarHBondContact O-N 3.43Å; V617-R619 VanDerWaalsContact C-N 3.27Å; V617-R619 PolarHBondContact O-N 3.32Å; V617-I620 PolarHBondContact O-N 2.85Å; V617-F621 HydrophobicContact CG1-CD2 3.75Å; V617-F621 HydrophobicContact CG1-CE2 3.76Å; V617-F621 WeakPolarHBondContact O-CD2 3.3Å; V617-F621 PolarHBondContact O-N 3.5Å
618	V	87.9	Confident	86.7	Confident	96 Å²	96	52.6 Å²	52.6	58%	0.582	29%	0.29	S	S	*	.	H	α-helix	trans	-58.6	-40.9	177.3	170.3	0	0	0	0	111.5	P614 F621 A622	P614-V618 WeakPolarHBondContact O-CG2 3.23Å; P614-V618 PolarHBondContact O-N 3.22Å; V618-F621 PolarHBondContact O-N 3.08Å; V618-A622 PolarHBondContact O-N 3.29Å
619	R	89	Confident	86.2	Confident	103 Å²	103	54 Å²	54	39%	0.389	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-45.7	177.1	-175.1	-175.3	71.6	125.7	1.9	112.2	D566 S615 E616 V617 F621 A622 S623	D566-R619 VanDerWaalsContact CG-NH1 3.26Å; D566-R619 IonicContact OD1-CZ 3.92Å; D566-R619 IonicContact OD1-NH1 3.58Å; D566-R619 PolarHBondContact OD1-NH1 2.97Å; D566-R619 IonicContact OD1-NH2 3.72Å; D566-R619 PolarHBondContact OD1-NH2 3.39Å; D566-R619 IonicContact OD2-CZ 3.63Å; D566-R619 IonicContact OD2-NH1 3.69Å; D566-R619 PolarHBondContact OD2-NH1 3.17Å; D566-R619 IonicContact OD2-NH2 2.75Å; D566-R619 PolarHBondContact OD2-NH2 3.36Å; S615-R619 WeakPolarHBondContact O-CB 3.06Å; S615-R619 PolarHBondContact O-N 3.15Å; S615-R619 VanDerWaalsContact O-N 3.07Å; E616-R619 WeakPolarHBondContact O-CB 3.23Å; E616-R619 PolarHBondContact O-N 3.47Å; V617-R619 VanDerWaalsContact C-N 3.27Å; V617-R619 PolarHBondContact O-N 3.32Å; R619-F621 VanDerWaalsContact C-N 3.33Å; R619-F621 PolarHBondContact O-N 3.06Å; R619-A622 PolarHBondContact O-N 3.41Å; R619-S623 PolarHBondContact O-N 3.1Å; R619-S623 PolarHBondContact O-OG 3.46Å
620	I	88.3	Confident	85.5	Confident	1 Å²	1	61 Å²	61	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-45	176.6	-66.9	162.5	0	0	0	110	I562 L606 L612 E616 V617 A622 S623 L624	I562-I620 HydrophobicContact CD1-CD1 3.86Å; I562-I620 HydrophobicContact CG1-CD1 4.11Å; I562-I620 HydrophobicContact CG2-CD1 3.85Å; I562-I620 HydrophobicContact CG2-CG1 4.32Å; L606-I620 HydrophobicContact CD1-CD1 4.27Å; L606-I620 HydrophobicContact CD1-CG2 4.45Å; L612-I620 HydrophobicContact CD1-CD1 3.82Å; E616-I620 VanDerWaalsContact O-CG1 3.3Å; E616-I620 WeakPolarHBondContact O-CG1 3.48Å; E616-I620 PolarHBondContact O-N 2.75Å; V617-I620 PolarHBondContact O-N 2.85Å; I620-A622 VanDerWaalsContact C-N 3.34Å; I620-A622 PolarHBondContact O-N 2.88Å; I620-S623 PolarHBondContact O-N 2.79Å; I620-L624 HydrophobicContact CG2-CD1 3.92Å; I620-L624 HydrophobicContact CG2-CG 4.31Å; I620-L624 VanDerWaalsContact O-CG 3.3Å; I620-L624 WeakPolarHBondContact O-CG 2.87Å; I620-L624 PolarHBondContact O-N 3.01Å
621	F	86.9	Confident	84.6	Confident	35 Å²	35	62.9 Å²	62.9	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-42.5	175.9	-91.8	-76.9	0	0	0	112.9	D600 F602 A603 V617 V618 R619 S623 L624 Q625	D600-F621 WeakPolarHBondContact OD2-CZ 3.34Å; F602-F621 HydrophobicContact CD1-CE2 4.35Å; F602-F621 AromaticContact CD1-CZ 3.96Å; F602-F621 HydrophobicContact CD1-CZ 3.96Å; A603-F621 HydrophobicContact CB-CE2 3.79Å; A603-F621 HydrophobicContact CB-CZ 4.14Å; V617-F621 HydrophobicContact CG1-CD2 3.75Å; V617-F621 HydrophobicContact CG1-CE2 3.76Å; V617-F621 WeakPolarHBondContact O-CD2 3.3Å; V617-F621 PolarHBondContact O-N 3.5Å; V618-F621 PolarHBondContact O-N 3.08Å; R619-F621 VanDerWaalsContact C-N 3.33Å; R619-F621 PolarHBondContact O-N 3.06Å; F621-S623 VanDerWaalsContact C-N 3.34Å; F621-S623 PolarHBondContact O-N 3.31Å; F621-L624 PolarHBondContact O-N 3.31Å; F621-Q625 WeakPolarHBondContact O-CB 3.08Å; F621-Q625 PolarHBondContact O-N 3.26Å
622	A	86.3	Confident	82.9	Confident	56 Å²	56	58.8 Å²	58.8	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-42	176.7	0	0	0	0	0	111.9	V618 R619 I620 Q625 A626	V618-A622 PolarHBondContact O-N 3.29Å; R619-A622 PolarHBondContact O-N 3.41Å; I620-A622 VanDerWaalsContact C-N 3.34Å; I620-A622 PolarHBondContact O-N 2.88Å; A622-Q625 PolarHBondContact O-N 3.03Å; A622-A626 WeakPolarHBondContact O-CB 2.95Å; A622-A626 PolarHBondContact O-N 3.41Å
623	S	86.1	Confident	81.3	Confident	47 Å²	47	65.1 Å²	65.1	33%	0.329	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-43.8	175.1	-61.2	0	0	0	0	112.4	R619 I620 F621 Q625 A626 F627	R619-S623 PolarHBondContact O-N 3.1Å; R619-S623 PolarHBondContact O-OG 3.46Å; I620-S623 PolarHBondContact O-N 2.79Å; F621-S623 VanDerWaalsContact C-N 3.34Å; F621-S623 PolarHBondContact O-N 3.31Å; S623-Q625 PolarHBondContact O-N 3.44Å; S623-A626 PolarHBondContact O-N 2.72Å; S623-F627 PolarHBondContact O-N 3.37Å; S623-F627 VanDerWaalsContact O-N 3.11Å
624	L	86.2	Confident	79.8	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-42.8	176.8	-68	170.7	0	0	0	111.5	I578 L581 L582 F602 I620 F621 F627 S628	I578-L624 HydrophobicContact CG2-CD2 4.05Å; L581-L624 HydrophobicContact CB-CD2 3.79Å; L582-L624 HydrophobicContact CD2-CB 3.87Å; L582-L624 HydrophobicContact CD2-CD2 3.72Å; L582-L624 HydrophobicContact CD2-CG 4.26Å; L582-L624 HydrophobicContact CG-CD2 3.65Å; F602-L624 HydrophobicContact CE1-CD1 4.06Å; I620-L624 HydrophobicContact CG2-CD1 3.92Å; I620-L624 HydrophobicContact CG2-CG 4.31Å; I620-L624 VanDerWaalsContact O-CG 3.3Å; I620-L624 WeakPolarHBondContact O-CG 2.87Å; I620-L624 PolarHBondContact O-N 3.01Å; F621-L624 PolarHBondContact O-N 3.31Å; L624-F627 PolarHBondContact O-N 2.88Å; L624-S628 VanDerWaalsContact O-CB 3.32Å; L624-S628 WeakPolarHBondContact O-CB 3.32Å; L624-S628 PolarHBondContact O-N 3.48Å
625	Q	84.3	Confident	78.3	Confident	118 Å²	118	67.3 Å²	67.3	55%	0.551	39%	0.385	S	S	*	.	H	α-helix	trans	-68.7	-42.3	179.2	-170	176.3	9.2	0	0	112	F621 A622 S623 F627 S628 A629	F621-Q625 WeakPolarHBondContact O-CB 3.08Å; F621-Q625 PolarHBondContact O-N 3.26Å; A622-Q625 PolarHBondContact O-N 3.03Å; S623-Q625 PolarHBondContact O-N 3.44Å; Q625-F627 PolarHBondContact O-N 3.42Å; Q625-S628 PolarHBondContact O-N 3.25Å; Q625-A629 PolarHBondContact O-N 3.34Å
626	A	82.7	Confident	77.1	Confident	56 Å²	56	67.2 Å²	67.2	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-61.6	-34.5	176.8	0	0	0	0	0	112.4	A622 S623	A622-A626 WeakPolarHBondContact O-CB 2.95Å; A622-A626 PolarHBondContact O-N 3.41Å; S623-A626 PolarHBondContact O-N 2.72Å
627	F	81	Confident	76	Confident	10 Å²	10	66.2 Å²	66.2	4%	0.044	37%	0.371	C	S	.	.	H	α-helix	trans	-76.7	-43.6	174.8	-173	-94.4	0	0	0	112.5	D575 I578 L579 L582 S623 L624 Q625 A629 R630 L631	D575-F627 HydrophobicContact CB-CE2 3.81Å; D575-F627 HydrophobicContact CB-CZ 4.17Å; D575-F627 WeakPolarHBondContact OD1-CE2 3.22Å; I578-F627 HydrophobicContact CB-CD1 4.45Å; I578-F627 HydrophobicContact CB-CD2 4.45Å; I578-F627 HydrophobicContact CB-CG 4.3Å; I578-F627 HydrophobicContact CD1-CB 4.4Å; I578-F627 HydrophobicContact CD1-CD2 4.15Å; I578-F627 HydrophobicContact CD1-CG 4.43Å; I578-F627 HydrophobicContact CG2-CB 3.56Å; I578-F627 HydrophobicContact CG2-CD1 3.5Å; I578-F627 VanDerWaalsContact CG2-CD1 3.5Å; I578-F627 HydrophobicContact CG2-CD2 4.02Å; I578-F627 HydrophobicContact CG2-CE1 4.13Å; I578-F627 HydrophobicContact CG2-CG 3.42Å; I578-F627 VanDerWaalsContact CG2-CG 3.42Å; L579-F627 HydrophobicContact CD1-CZ 4.47Å; L579-F627 HydrophobicContact CD2-CE1 3.62Å; L579-F627 HydrophobicContact CD2-CZ 4.21Å; L579-F627 HydrophobicContact CG-CE1 3.74Å; L579-F627 HydrophobicContact CG-CZ 3.93Å; L582-F627 HydrophobicContact CD1-CD1 3.77Å; L582-F627 HydrophobicContact CD1-CE1 4.26Å; S623-F627 PolarHBondContact O-N 3.37Å; S623-F627 VanDerWaalsContact O-N 3.11Å; L624-F627 PolarHBondContact O-N 2.88Å; Q625-F627 PolarHBondContact O-N 3.42Å; F627-A629 PolarHBondContact O-N 2.9Å; F627-R630 WeakPolarHBondContact O-CB 2.99Å; F627-R630 PolarHBondContact O-N 3.43Å; F627-L631 HydrophobicContact CD1-CD1 3.94Å; F627-L631 HydrophobicContact CD1-CG 4.24Å; F627-L631 HydrophobicContact CE1-CD1 3.75Å; F627-L631 HydrophobicContact CE1-CD2 4.02Å; F627-L631 HydrophobicContact CE1-CG 4Å; F627-L631 HydrophobicContact CZ-CD2 4.37Å; F627-L631 PolarHBondContact O-N 2.9Å
628	S	78.7	Confident	75.1	Confident	8 Å²	8	72.8 Å²	72.8	6%	0.056	40%	0.401	C	S	.	.	H	α-helix	trans	-55.2	-39.7	176	-169.3	0	0	0	0	112	L624 Q625 R630 L631 S634 D636	L624-S628 VanDerWaalsContact O-CB 3.32Å; L624-S628 WeakPolarHBondContact O-CB 3.32Å; L624-S628 PolarHBondContact O-N 3.48Å; Q625-S628 PolarHBondContact O-N 3.25Å; S628-R630 PolarHBondContact O-N 3.36Å; S628-R630 VanDerWaalsContact O-N 3.16Å; S628-L631 PolarHBondContact O-N 2.86Å; S628-L631 VanDerWaalsContact O-N 3.11Å; S628-S634 WeakPolarHBondContact O-CB 3.07Å; S628-S634 PolarHBondContact O-OG 3.41Å; S628-S634 WeakPolarHBondContact OG-CB 3.42Å; S628-D636 PolarHBondContact OG-OD1 3.15Å
629	A	76.7	Confident	74.7	Confident	79 Å²	79	69.9 Å²	69.9	65%	0.653	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.7	176.2	0	0	0	0	0	114.3	Q625 F627	Q625-A629 PolarHBondContact O-N 3.34Å; F627-A629 PolarHBondContact O-N 2.9Å
630	R	73.4	Confident	74.4	Confident	170 Å²	170	67.1 Å²	67.1	64%	0.642	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-13.5	177.5	-62	177.4	-178.6	180	-0.2	113	F627 S628	F627-R630 WeakPolarHBondContact O-CB 2.99Å; F627-R630 PolarHBondContact O-N 3.43Å; S628-R630 PolarHBondContact O-N 3.36Å; S628-R630 VanDerWaalsContact O-N 3.16Å
631	L	69.3	Low	74	Confident	42 Å²	42	75.6 Å²	75.6	22%	0.22	42%	0.415	C	S	.	.	S	Bend	trans	-85	135.3	-179.6	-68.4	172	0	0	0	110.8	L579 L582 F627 S628 N633	L579-L631 HydrophobicContact CD2-CD1 4.33Å; L582-L631 HydrophobicContact CD1-CD1 4.36Å; F627-L631 HydrophobicContact CD1-CD1 3.94Å; F627-L631 HydrophobicContact CD1-CG 4.24Å; F627-L631 HydrophobicContact CE1-CD1 3.75Å; F627-L631 HydrophobicContact CE1-CD2 4.02Å; F627-L631 HydrophobicContact CE1-CG 4Å; F627-L631 HydrophobicContact CZ-CD2 4.37Å; F627-L631 PolarHBondContact O-N 2.9Å; S628-L631 PolarHBondContact O-N 2.86Å; S628-L631 VanDerWaalsContact O-N 3.11Å; L631-N633 PolarHBondContact O-N 2.89Å
632	P	52.2	Low	73.7	Confident	84 Å²	84	75 Å²	75	55%	0.545	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	127	170	26.1	-29.8	0	0	0	109.6	F346	F346-P632 HydrophobicContact CE2-CG 4.23Å; F346-P632 HydrophobicContact CZ-CG 4.22Å
633	N	55.3	Low	73.4	Confident	159 Å²	159	72.9 Å²	72.9	85%	0.85	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	38.6	-177.2	-53.1	-34	0	0	0	116.5	L631 V635	L631-N633 PolarHBondContact O-N 2.89Å; N633-V635 PolarHBondContact O-N 3.37Å
634	S	57.4	Low	72.2	Confident	52 Å²	52	76.4 Å²	76.4	36%	0.364	42%	0.42	S	S	.	.			trans	-64.9	116.3	167.4	44.8	0	0	0	0	111.5	S628 D636	S628-S634 WeakPolarHBondContact O-CB 3.07Å; S628-S634 PolarHBondContact O-OG 3.41Å; S628-S634 WeakPolarHBondContact OG-CB 3.42Å; S634-D636 PolarHBondContact O-N 3.45Å
635	V	56.9	Low	71.5	Confident	124 Å²	124	80.2 Å²	80.2	75%	0.752	44%	0.441	S	S	*	.			trans	-94.2	84	171.3	-171.9	0	0	0	0	107.6	N633 Y637	N633-V635 PolarHBondContact O-N 3.37Å; V635-Y637 PolarHBondContact O-N 3.18Å
636	D	62.4	Low	70.9	Confident	83 Å²	83	78.2 Å²	78.2	44%	0.444	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-75.2	119	169	-83.6	-21.9	0	0	0	108.9	S628 S634	S628-D636 PolarHBondContact OG-OD1 3.15Å; S634-D636 PolarHBondContact O-N 3.45Å
637	Y	65.9	Low	70.2	Confident	52 Å²	52	79.4 Å²	79.4	20%	0.204	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-102.5	137.3	171.3	51.4	-90.9	0	0	0	110.1	D586 N589 K598 V635 T639	D586-Y637 VanDerWaalsContact OD1-CE1 3.31Å; D586-Y637 WeakPolarHBondContact OD1-CE1 3.41Å; D586-Y637 PolarHBondContact OD1-OH 3.05Å; N589-Y637 HydrophobicContact CB-CE2 4.15Å; N589-Y637 WeakPolarHBondContact CB-OH 3.18Å; K598-Y637 HydrophobicContact CB-CD2 4.35Å; K598-Y637 HydrophobicContact CB-CE2 4.4Å; K598-Y637 HydrophobicContact CD-CD2 3.83Å; K598-Y637 HydrophobicContact CD-CE2 3.76Å; K598-Y637 HydrophobicContact CD-CG 4.44Å; V635-Y637 PolarHBondContact O-N 3.18Å; Y637-T639 HydrophobicContact CD2-CG2 3.57Å; Y637-T639 HydrophobicContact CE2-CG2 3.5Å; Y637-T639 VanDerWaalsContact CE2-CG2 3.5Å; Y637-T639 PolarHBondContact O-N 3.21Å
638	E	70	Confident	69.6	Low	153 Å²	153	83.5 Å²	83.5	72%	0.715	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-66.1	129.7	172.9	-69.5	-172.7	166.2	0	0	110.2	Q597	Q597-E638 PolarHBondContact NE2-OE2 2.92Å
639	T	79.1	Confident	69	Low	35 Å²	35	88.3 Å²	88.3	22%	0.215	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.5	176.6	52.6	0	0	0	0	111.7	K598 Y637	K598-T639 HydrophobicContact CB-CG2 4.42Å; K598-T639 CarbonylContact O-C 3.59Å; K598-T639 WeakPolarHBondContact O-CA 3.29Å; K598-T639 WeakPolarHBondContact O-CB 3.49Å; Y637-T639 HydrophobicContact CD2-CG2 3.57Å; Y637-T639 HydrophobicContact CE2-CG2 3.5Å; Y637-T639 VanDerWaalsContact CE2-CG2 3.5Å; Y637-T639 PolarHBondContact O-N 3.21Å
640	T	82.5	Confident	68.5	Low	45 Å²	45	88.9 Å²	88.9	28%	0.276	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.5	171.5	42	0	0	0	0	110.3	Q597 K598 M599 D600 L642	Q597-T640 HydrophobicContact CB-CG2 3.87Å; K598-T640 PolarHBondContact O-N 3.37Å; K598-T640 PolarHBondContact O-OG1 3.16Å; M599-T640 PolarHBondContact SD-OG1 3.02Å; D600-T640 PolarHBondContact N-O 2.86Å; T640-L642 PolarHBondContact O-N 3.25Å
641	K	80.7	Confident	68.1	Low	178 Å²	178	83.1 Å²	83.1	77%	0.774	46%	0.457	S	S	*	.			trans	-71.3	120	177.5	-67.8	-174.2	178.6	-177.4	0	110.4
642	L	81.6	Confident	68	Low	24 Å²	24	86.2 Å²	86.2	13%	0.126	48%	0.476	C	S	.	.			trans	-96.8	-39.6	173.3	-179.3	63.4	0	0	0	112.2	P454 W463 M599 L601 T640	P454-L642 HydrophobicContact CG-CD2 3.99Å; W463-L642 HydrophobicContact CB-CD1 4.26Å; M599-L642 HydrophobicContact CE-CD1 3.88Å; M599-L642 HydrophobicContact SD-CB 4.24Å; L601-L642 HydrophobicContact CD2-CD2 4.11Å; T640-L642 PolarHBondContact O-N 3.25Å
643	C	78.8	Confident	69.4	Low	11 Å²	11	86.4 Å²	86.4	7%	0.074	47%	0.47	C	S	.	.			trans	-108.7	129.9	177.3	-51.7	0	0	0	0	109.6	C604	C604-C643 VanDerWaalsContact CA-SG 3.59Å; C604-C643 HydrophobicContact CB-CB 3.94Å; C604-C643 WeakPolarHBondContact CB-SG 3.45Å; C604-C643 WeakPolarHBondContact SG-CB 3.34Å; C604-C643 PolarHBondContact SG-N 3.25Å; C604-C643 VanDerWaalsContact SG-N 3.42Å; C604-C643 CovalentContact SG-SG 2.03Å; C604-C643 PolarHBondContact SG-SG 3Å
644	S	61.7	Low	70.7	Confident	121 Å²	121	79.8 Å²	79.8	85%	0.846	44%	0.435	S	S	*	.			trans	-107.8	0	-176.1	61.1	0	0	0	0	112.3	R607	R607-S644 PolarHBondContact NH1-O 2.99Å; R607-S644 PolarHBondContact NH1-OXT 2.86Å; R607-S644 VanDerWaalsContact NH1-OXT 3.08Å; R607-S644 PolarHBondContact NH2-O 2.98Å

Retrieved 644 of 644 residues in 683.7 ms (Link to these results)

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