A0A087Y9S2_POEFO Loading...

Vacuolar protein sorting-associated protein 33A

Plays a role in vesicle-mediated protein trafficking to lysosomal compartments including the endocytic membrane transport and autophagic pathways. Believed to act as a core component of the putative HOPS and CORVET endosomal tethering complexes which are proposed to be involved in the Rab5-to-Rab7 endosome conversion probably implicating MON1A/B, and via binding SNAREs and SNARE complexes to mediate tethering and docking events during SNARE-mediated membrane fusion. The HOPS complex is proposed to be recruited to Rab7 on the late endosomal membrane and to regulate late endocytic, phagocytic and autophagic traffic towards lysosomes. The CORVET complex is proposed to function as a Rab5 effector to mediate early endosome fusion probably in specific endosome subpopulations. Required for fusion of endosomes and autophagosomes with lysosomes; the function is dependent on its association with VPS16 but not VIPAS39. The function in autophagosome-lysosome fusion implicates STX17 but not UVRAG.

AlphaFold DB , UniProt , Accession A0A087Y9S2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 600 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	63.2	Low	86.3	Confident	200 Å²	200	64.8 Å²	64.8	99%	0.985	35%	0.346	S	S	*	.				0	147.1	0	-79.6	-175.5	-85.2	0	0	109.2
2	A	87.4	Confident	87.2	Confident	17 Å²	17	59.4 Å²	59.4	14%	0.14	32%	0.317	C	S	.	.			trans	-90.6	105.9	179.5	0	0	0	0	0	109.3	H4 L5 N13	A2-H4 PolarHBondContact O-N 3.22Å; A2-L5 HydrophobicContact CB-CD1 4.03Å; A2-L5 HydrophobicContact CB-CG 4.07Å; A2-L5 PolarHBondContact O-N 3.14Å; A2-L5 VanDerWaalsContact O-N 3.16Å; A2-N13 PolarHBondContact N-OD1 3.29Å; A2-N13 PolarHBondContact O-ND2 3.38Å; A2-N13 PolarHBondContact O-OD1 3.08Å
3	A	92.1	Very high	88	Confident	54 Å²	54	55.5 Å²	55.5	45%	0.446	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-58.8	-32.8	-174.5	0	0	0	0	0	113.1	L5 S6	A3-L5 PolarHBondContact O-N 3.45Å; A3-S6 PolarHBondContact O-N 3.05Å; A3-S6 PolarHBondContact O-OG 3.23Å
4	H	93.8	Very high	88.7	Confident	24 Å²	24	56.9 Å²	56.9	11%	0.111	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-65.6	-24.2	-179.2	70.8	-91.7	0	0	0	114.7	A2 S6 Y7 D148 G149 S291 A292	A2-H4 PolarHBondContact O-N 3.22Å; H4-S6 PolarHBondContact O-N 3.28Å; H4-S6 VanDerWaalsContact O-N 3.15Å; H4-Y7 HydrophobicContact CB-CD2 3.95Å; H4-Y7 HydrophobicContact CB-CE2 3.7Å; H4-D148 IonicContact CD2-OD1 3.87Å; H4-G149 VanDerWaalsContact O-CA 3.31Å; H4-G149 WeakPolarHBondContact O-CA 3.36Å; H4-G149 PolarHBondContact O-N 3.27Å; H4-S291 WeakPolarHBondContact CB-OG 3.22Å; H4-A292 HydrophobicContact CB-CB 4.04Å
5	L	95.9	Very high	89.3	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-76.4	5.5	175	-60.2	-177	0	0	0	113.2	A2 A3 L12 R16 P146	A2-L5 HydrophobicContact CB-CD1 4.03Å; A2-L5 HydrophobicContact CB-CG 4.07Å; A2-L5 PolarHBondContact O-N 3.14Å; A2-L5 VanDerWaalsContact O-N 3.16Å; A3-L5 PolarHBondContact O-N 3.45Å; L5-L12 HydrophobicContact CB-CB 4.3Å; L5-L12 PolarHBondContact O-N 3.05Å; L5-R16 HydrophobicContact CD1-CB 4.45Å; L5-P146 HydrophobicContact CD1-CB 4.17Å; L5-P146 HydrophobicContact CD2-CB 3.98Å
6	S	92.3	Very high	89.8	Confident	52 Å²	52	52.3 Å²	52.3	36%	0.364	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-134.5	13.9	-177.9	52.2	0	0	0	0	114.3	A3 H4	A3-S6 PolarHBondContact O-N 3.05Å; A3-S6 PolarHBondContact O-OG 3.23Å; H4-S6 PolarHBondContact O-N 3.28Å; H4-S6 VanDerWaalsContact O-N 3.15Å
7	Y	77.4	Confident	90.2	Very high	158 Å²	158	52.5 Å²	52.5	62%	0.62	27%	0.274	S	S	*	.	S	Bend	trans	-74.4	-23.2	-179.2	-74.5	-45.4	0	0	0	114.2	H4	H4-Y7 HydrophobicContact CB-CD2 3.95Å; H4-Y7 HydrophobicContact CB-CE2 3.7Å
8	G	76.4	Confident	90.6	Very high	37 Å²	37	51.2 Å²	51.2	38%	0.381	27%	0.272	S	S	.	.	S	Bend	trans	-96.2	-169.1	177.9	0	0	0	0	0	113.8	V10	G8-V10 PolarHBondContact O-N 3.44Å
9	R	81.2	Confident	91	Very high	102 Å²	102	49 Å²	49	39%	0.385	26%	0.262	S	S	.	.	S	Bend	trans	-64.1	-18.3	175.1	-78.1	-175.9	-171.6	-128.4	-9	114.9	E541 N542 E573	R9-E541 VanDerWaalsContact NH1-CG 3.35Å; R9-E541 IonicContact NH1-OE1 2.71Å; R9-N542 PolarHBondContact NH1-O 3.38Å; R9-E573 WeakPolarHBondContact CD-OE2 3.38Å; R9-E573 WeakPolarHBondContact CG-OE2 3.47Å; R9-E573 PolarHBondContact N-OE1 2.96Å; R9-E573 VanDerWaalsContact N-OE1 3.1Å; R9-E573 IonicContact NE-OE2 3.95Å; R9-E573 PolarHBondContact NE-OE2 3.35Å
10	V	93.1	Very high	91.3	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	26%	0.256	C	S	.	.	S	Bend	trans	-111.5	120.7	-176.5	-169.8	0	0	0	0	109.6	G8 L12 Y186 V223 F224 T544 I575	G8-V10 PolarHBondContact O-N 3.44Å; V10-L12 HydrophobicContact CB-CD2 4.5Å; V10-L12 HydrophobicContact CG1-CD2 3.66Å; V10-L12 HydrophobicContact CG1-CG 4.25Å; V10-L12 PolarHBondContact O-N 2.83Å; V10-Y186 HydrophobicContact CG1-CD1 4.24Å; V10-Y186 HydrophobicContact CG1-CE1 3.97Å; V10-V223 HydrophobicContact CB-CG1 4.35Å; V10-V223 HydrophobicContact CG1-CG1 4.24Å; V10-V223 HydrophobicContact CG2-CG1 3.63Å; V10-F224 HydrophobicContact CG1-CE1 4.5Å; V10-F224 HydrophobicContact CG1-CZ 3.94Å; V10-F224 HydrophobicContact CG2-CE1 3.93Å; V10-F224 HydrophobicContact CG2-CZ 4.19Å; V10-T544 HydrophobicContact CG2-CG2 4.03Å; V10-I575 HydrophobicContact CB-CD1 4.33Å; V10-I575 HydrophobicContact CG2-CD1 3.95Å; V10-I575 HydrophobicContact CG2-CG1 3.77Å
11	N	96.5	Very high	91.6	Very high	67 Å²	67	51.8 Å²	51.8	36%	0.358	27%	0.269	S	S	.	.			trans	-85.8	92.3	173.8	-177.5	5.4	0	0	0	110.6	N13 I14 Y186	N11-N13 PolarHBondContact O-N 3.16Å; N11-N13 VanDerWaalsContact OD1-CB 3.26Å; N11-N13 WeakPolarHBondContact OD1-CB 3.35Å; N11-N13 PolarHBondContact OD1-N 3.5Å; N11-N13 VanDerWaalsContact OD1-N 3.13Å; N11-N13 PolarHBondContact OD1-ND2 2.63Å; N11-I14 HydrophobicContact CB-CD1 4.37Å; N11-I14 WeakPolarHBondContact O-CG1 3.4Å; N11-I14 PolarHBondContact O-N 3.33Å; N11-Y186 PolarHBondContact O-OH 3.09Å; N11-Y186 VanDerWaalsContact O-OH 3.12Å
12	L	97.5	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.6	-180	-62.3	179.8	0	0	0	113.9	L5 V10 I14 L15 R16 P146 D148 G149 L152 Y186	L5-L12 HydrophobicContact CB-CB 4.3Å; L5-L12 PolarHBondContact O-N 3.05Å; V10-L12 HydrophobicContact CB-CD2 4.5Å; V10-L12 HydrophobicContact CG1-CD2 3.66Å; V10-L12 HydrophobicContact CG1-CG 4.25Å; V10-L12 PolarHBondContact O-N 2.83Å; L12-I14 PolarHBondContact O-N 3.23Å; L12-L15 PolarHBondContact O-N 2.91Å; L12-R16 PolarHBondContact O-N 3.1Å; L12-R16 VanDerWaalsContact O-N 3.14Å; L12-P146 HydrophobicContact CB-CB 4.2Å; L12-P146 HydrophobicContact CB-CG 4.37Å; L12-D148 VanDerWaalsContact CD1-O 3.25Å; L12-D148 WeakPolarHBondContact CD1-O 3.45Å; L12-G149 WeakPolarHBondContact CD1-O 3.37Å; L12-L152 HydrophobicContact CD1-CD2 4.25Å; L12-L152 HydrophobicContact CD1-CG 4.28Å; L12-L152 HydrophobicContact CD2-CD1 4.28Å; L12-L152 HydrophobicContact CD2-CD2 4.31Å; L12-Y186 WeakPolarHBondContact CA-OH 3.09Å
13	N	97.3	Very high	93.7	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.043	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-27.3	167.8	-69.7	-77.6	0	0	0	111.6	A2 N11 R16 E17	A2-N13 PolarHBondContact N-OD1 3.29Å; A2-N13 PolarHBondContact O-ND2 3.38Å; A2-N13 PolarHBondContact O-OD1 3.08Å; N11-N13 PolarHBondContact O-N 3.16Å; N11-N13 VanDerWaalsContact OD1-CB 3.26Å; N11-N13 WeakPolarHBondContact OD1-CB 3.35Å; N11-N13 PolarHBondContact OD1-N 3.5Å; N11-N13 VanDerWaalsContact OD1-N 3.13Å; N11-N13 PolarHBondContact OD1-ND2 2.63Å; N13-R16 PolarHBondContact O-N 3.46Å; N13-E17 WeakPolarHBondContact O-CB 3.42Å; N13-E17 WeakPolarHBondContact O-CG 3.44Å; N13-E17 PolarHBondContact O-N 2.92Å
14	I	97.4	Very high	94	Very high	76 Å²	76	46.2 Å²	46.2	39%	0.39	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-48.4	177.4	-62.1	174.6	0	0	0	110	N11 L12 A18 L185 Y186	N11-I14 HydrophobicContact CB-CD1 4.37Å; N11-I14 WeakPolarHBondContact O-CG1 3.4Å; N11-I14 PolarHBondContact O-N 3.33Å; L12-I14 PolarHBondContact O-N 3.23Å; I14-A18 WeakPolarHBondContact O-CB 3.23Å; I14-A18 PolarHBondContact O-N 3.14Å; I14-L185 HydrophobicContact CG2-CB 4.28Å; I14-L185 HydrophobicContact CG2-CD2 4.21Å; I14-Y186 HydrophobicContact CB-CE1 4.12Å; I14-Y186 HydrophobicContact CD1-CE1 4.1Å
15	L	97.8	Very high	94.1	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-46.6	176.4	178.3	63.2	0	0	0	111.6	L12 E17 A18 A19 L144 P146 L152 T181 L182 L185 Y186	L12-L15 PolarHBondContact O-N 2.91Å; L15-E17 PolarHBondContact O-N 2.94Å; L15-A18 PolarHBondContact O-N 3.02Å; L15-A19 PolarHBondContact O-N 3.49Å; L15-A19 VanDerWaalsContact O-N 3.07Å; L15-L144 HydrophobicContact CD2-CB 4.38Å; L15-P146 HydrophobicContact CB-CG 4.5Å; L15-P146 HydrophobicContact CD2-CG 4.05Å; L15-P146 HydrophobicContact CG-CG 4.35Å; L15-L152 HydrophobicContact CD2-CD2 3.64Å; L15-T181 HydrophobicContact CD1-CG2 4Å; L15-L182 HydrophobicContact CD2-CD2 3.88Å; L15-L185 HydrophobicContact CB-CD1 4.2Å; L15-L185 HydrophobicContact CD1-CD1 3.69Å; L15-Y186 HydrophobicContact CB-CE2 4.3Å; L15-Y186 WeakPolarHBondContact CB-OH 3.23Å; L15-Y186 PolarHBondContact N-OH 3.24Å
16	R	97.6	Very high	94.2	Very high	29 Å²	29	51 Å²	51	11%	0.109	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-42.2	-179.5	-174.9	178.6	176.4	171.6	7.7	112.4	L5 L12 N13 A19 R20 L48 I49 P146	L5-R16 HydrophobicContact CD1-CB 4.45Å; L12-R16 PolarHBondContact O-N 3.1Å; L12-R16 VanDerWaalsContact O-N 3.14Å; N13-R16 PolarHBondContact O-N 3.46Å; R16-A19 PolarHBondContact O-N 3.29Å; R16-R20 WeakPolarHBondContact O-CB 3.25Å; R16-R20 WeakPolarHBondContact O-CG 3.43Å; R16-R20 PolarHBondContact O-N 3.06Å; R16-L48 PolarHBondContact NE-O 3.31Å; R16-L48 VanDerWaalsContact NE-O 3.08Å; R16-L48 PolarHBondContact NH2-O 3Å; R16-I49 HydrophobicContact CG-CD1 4.4Å; R16-I49 PolarHBondContact NE-O 3.49Å; R16-I49 PolarHBondContact NH2-O 3.24Å; R16-P146 HydrophobicContact CB-CG 4.32Å
17	E	97.3	Very high	94.5	Very high	55 Å²	55	48.5 Å²	48.5	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-74.5	-30	-179.6	-69.3	-55.6	140.1	0	0	112.4	N13 L15 R20 K21 R24	N13-E17 WeakPolarHBondContact O-CB 3.42Å; N13-E17 WeakPolarHBondContact O-CG 3.44Å; N13-E17 PolarHBondContact O-N 2.92Å; L15-E17 PolarHBondContact O-N 2.94Å; E17-R20 PolarHBondContact O-N 3.29Å; E17-R20 VanDerWaalsContact OE1-CD 3.3Å; E17-R20 WeakPolarHBondContact OE1-CD 3.46Å; E17-R20 IonicContact OE1-CZ 3.16Å; E17-R20 IonicContact OE1-NE 2.71Å; E17-R20 IonicContact OE1-NH1 3.84Å; E17-R20 PolarHBondContact OE1-NH1 2.98Å; E17-R20 WeakPolarHBondContact OE2-CD 3.47Å; E17-K21 VanDerWaalsContact O-CB 3.3Å; E17-K21 WeakPolarHBondContact O-CB 3.45Å; E17-K21 PolarHBondContact O-N 2.86Å; E17-R24 IonicContact OE2-NH1 3.91Å; E17-R24 IonicContact OE2-NH2 3.71Å
18	A	97.1	Very high	95.5	Very high	29 Å²	29	45.4 Å²	45.4	24%	0.24	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-49.9	168.8	0	0	0	0	0	111.1	I14 L15 R20 K21 E22 L185	I14-A18 WeakPolarHBondContact O-CB 3.23Å; I14-A18 PolarHBondContact O-N 3.14Å; L15-A18 PolarHBondContact O-N 3.02Å; A18-R20 PolarHBondContact O-N 3.16Å; A18-K21 WeakPolarHBondContact O-CB 3.27Å; A18-K21 PolarHBondContact O-N 3.4Å; A18-K21 VanDerWaalsContact O-N 3.14Å; A18-E22 PolarHBondContact O-N 3.06Å; A18-E22 VanDerWaalsContact O-N 3.08Å; A18-L185 HydrophobicContact CB-CD1 4.29Å; A18-L185 HydrophobicContact CB-CD2 4.43Å
19	A	97.1	Very high	96.5	Very high	10 Å²	10	48.8 Å²	48.8	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-44.3	176.1	0	0	0	0	0	111.8	L15 R16 K21 E22 L23 I49 Y140 L142	L15-A19 PolarHBondContact O-N 3.49Å; L15-A19 VanDerWaalsContact O-N 3.07Å; R16-A19 PolarHBondContact O-N 3.29Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.42Å; A19-E22 PolarHBondContact O-N 3.4Å; A19-L23 PolarHBondContact O-N 3.11Å; A19-I49 HydrophobicContact CB-CG2 4.31Å; A19-Y140 WeakPolarHBondContact CB-OH 3.31Å; A19-Y140 VanDerWaalsContact O-CE2 3.26Å; A19-Y140 WeakPolarHBondContact O-CE2 3.29Å; A19-Y140 PolarHBondContact O-OH 3.1Å; A19-L142 HydrophobicContact CB-CD1 4.14Å
20	R	97.8	Very high	97.2	Very high	35 Å²	35	44 Å²	44	13%	0.132	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-40.2	174.4	-77.7	176.2	147.8	163.6	-3.5	112.7	R16 E17 A18 L23 R24 I49 L54	R16-R20 WeakPolarHBondContact O-CB 3.25Å; R16-R20 WeakPolarHBondContact O-CG 3.43Å; R16-R20 PolarHBondContact O-N 3.06Å; E17-R20 PolarHBondContact O-N 3.29Å; E17-R20 VanDerWaalsContact OE1-CD 3.3Å; E17-R20 WeakPolarHBondContact OE1-CD 3.46Å; E17-R20 IonicContact OE1-CZ 3.16Å; E17-R20 IonicContact OE1-NE 2.71Å; E17-R20 IonicContact OE1-NH1 3.84Å; E17-R20 PolarHBondContact OE1-NH1 2.98Å; E17-R20 WeakPolarHBondContact OE2-CD 3.47Å; A18-R20 PolarHBondContact O-N 3.16Å; R20-L23 PolarHBondContact O-N 3.05Å; R20-R24 VanDerWaalsContact O-CG 3.28Å; R20-R24 WeakPolarHBondContact O-CG 3.36Å; R20-R24 PolarHBondContact O-N 3.42Å; R20-I49 HydrophobicContact CG-CG2 3.88Å; R20-I49 PolarHBondContact NE-O 2.93Å; R20-I49 PolarHBondContact NH2-O 3.48Å; R20-L54 HydrophobicContact CG-CD1 4.13Å
21	K	97.4	Very high	97.4	Very high	121 Å²	121	46.8 Å²	46.8	53%	0.526	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-49.6	179.1	179.8	-177.4	166.2	-174.8	0	110.8	E17 A18 A19 L23 R24 E25	E17-K21 VanDerWaalsContact O-CB 3.3Å; E17-K21 WeakPolarHBondContact O-CB 3.45Å; E17-K21 PolarHBondContact O-N 2.86Å; A18-K21 WeakPolarHBondContact O-CB 3.27Å; A18-K21 PolarHBondContact O-N 3.4Å; A18-K21 VanDerWaalsContact O-N 3.14Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.42Å; K21-L23 VanDerWaalsContact C-N 3.28Å; K21-L23 PolarHBondContact O-N 3.09Å; K21-R24 PolarHBondContact O-N 2.9Å; K21-R24 VanDerWaalsContact O-N 3.14Å; K21-E25 WeakPolarHBondContact CE-OE1 3.3Å; K21-E25 IonicContact NZ-OE1 2.69Å; K21-E25 WeakPolarHBondContact O-CG 3.28Å; K21-E25 PolarHBondContact O-N 3.46Å
22	E	96.8	Very high	97.4	Very high	85 Å²	85	44.5 Å²	44.5	40%	0.397	23%	0.226	S	C	.	.	H	α-helix	trans	-59	-40.3	177.1	-70.5	177.7	-164.9	0	0	112	A18 A19 R24 E25 F26 Y140	A18-E22 PolarHBondContact O-N 3.06Å; A18-E22 VanDerWaalsContact O-N 3.08Å; A19-E22 PolarHBondContact O-N 3.4Å; E22-R24 PolarHBondContact O-N 3.41Å; E22-E25 PolarHBondContact O-N 3.09Å; E22-F26 PolarHBondContact O-N 2.96Å; E22-F26 VanDerWaalsContact O-N 3.08Å; E22-Y140 HydrophobicContact CB-CD2 4.17Å; E22-Y140 HydrophobicContact CB-CE2 3.97Å
23	L	97.7	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-43.9	175.3	179	61.6	0	0	0	112.3	A19 R20 K21 F26 L27 F46 A50 L54 L55 F82 Y140	A19-L23 PolarHBondContact O-N 3.11Å; R20-L23 PolarHBondContact O-N 3.05Å; K21-L23 VanDerWaalsContact C-N 3.28Å; K21-L23 PolarHBondContact O-N 3.09Å; L23-F26 PolarHBondContact O-N 3.3Å; L23-L27 HydrophobicContact CD1-CD1 4.33Å; L23-L27 HydrophobicContact CD1-CG 4.36Å; L23-L27 HydrophobicContact CG-CD1 4.19Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 3.14Å; L23-F46 HydrophobicContact CD2-CE1 4.49Å; L23-A50 HydrophobicContact CD2-CB 3.83Å; L23-L54 HydrophobicContact CD2-CD2 4.48Å; L23-L55 HydrophobicContact CD2-CD2 4.24Å; L23-F82 HydrophobicContact CD1-CE2 3.75Å; L23-F82 HydrophobicContact CD1-CZ 3.77Å; L23-Y140 HydrophobicContact CB-CE2 4.02Å
24	R	97.9	Very high	97.5	Very high	70 Å²	70	45.4 Å²	45.4	26%	0.264	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-46.9	177.2	-68.2	-178.4	-166.9	109.9	-3.9	111.1	E17 R20 K21 E22 F26 L27 D28 L54 H58	E17-R24 IonicContact OE2-NH1 3.91Å; E17-R24 IonicContact OE2-NH2 3.71Å; R20-R24 VanDerWaalsContact O-CG 3.28Å; R20-R24 WeakPolarHBondContact O-CG 3.36Å; R20-R24 PolarHBondContact O-N 3.42Å; K21-R24 PolarHBondContact O-N 2.9Å; K21-R24 VanDerWaalsContact O-N 3.14Å; E22-R24 PolarHBondContact O-N 3.41Å; R24-F26 VanDerWaalsContact C-N 3.28Å; R24-F26 PolarHBondContact O-N 2.69Å; R24-L27 PolarHBondContact O-N 3.42Å; R24-L27 VanDerWaalsContact O-N 3.13Å; R24-D28 WeakPolarHBondContact O-CB 3.44Å; R24-D28 VanDerWaalsContact O-CG 3.3Å; R24-D28 PolarHBondContact O-N 3.32Å; R24-L54 HydrophobicContact CG-CD2 4.39Å; R24-H58 VanDerWaalsContact CG-NE2 3.3Å; R24-H58 WeakPolarHBondContact CG-NE2 3.49Å
25	E	97.6	Very high	97.5	Very high	108 Å²	108	41.8 Å²	41.8	51%	0.505	21%	0.214	S	C	.	.	H	α-helix	trans	-57.7	-40.9	178.8	-71.6	173.7	174.8	0	0	111.9	K21 E22 K29	K21-E25 WeakPolarHBondContact CE-OE1 3.3Å; K21-E25 IonicContact NZ-OE1 2.69Å; K21-E25 WeakPolarHBondContact O-CG 3.28Å; K21-E25 PolarHBondContact O-N 3.46Å; E22-E25 PolarHBondContact O-N 3.09Å; E25-K29 PolarHBondContact O-N 3.4Å; E25-K29 VanDerWaalsContact O-N 3.14Å
26	F	97.8	Very high	97.6	Very high	16 Å²	16	41.3 Å²	41.3	7%	0.07	21%	0.212	C	C	.	.	H	α-helix	trans	-68.3	-42.5	174.8	172.1	-101.7	0	0	0	113.1	E22 L23 R24 D28 K29 I80 F82 L112 D138	E22-F26 PolarHBondContact O-N 2.96Å; E22-F26 VanDerWaalsContact O-N 3.08Å; L23-F26 PolarHBondContact O-N 3.3Å; R24-F26 VanDerWaalsContact C-N 3.28Å; R24-F26 PolarHBondContact O-N 2.69Å; F26-D28 VanDerWaalsContact C-N 3.31Å; F26-D28 PolarHBondContact O-N 3.01Å; F26-K29 WeakPolarHBondContact O-CB 3.44Å; F26-K29 PolarHBondContact O-N 2.94Å; F26-I80 HydrophobicContact CE1-CG2 3.74Å; F26-I80 HydrophobicContact CZ-CG2 3.85Å; F26-F82 HydrophobicContact CD1-CZ 4.49Å; F26-F82 AromaticContact CE1-CE1 3.97Å; F26-F82 HydrophobicContact CE1-CE1 3.97Å; F26-F82 HydrophobicContact CE1-CZ 4.31Å; F26-L112 HydrophobicContact CD1-CD1 3.9Å; F26-L112 HydrophobicContact CD1-CD2 3.69Å; F26-L112 HydrophobicContact CD1-CG 4.24Å; F26-L112 HydrophobicContact CD2-CD1 3.79Å; F26-L112 HydrophobicContact CE1-CB 3.77Å; F26-L112 HydrophobicContact CE1-CD1 3.89Å; F26-L112 HydrophobicContact CE1-CD2 3.72Å; F26-L112 HydrophobicContact CE1-CG 4Å; F26-L112 HydrophobicContact CE2-CB 4.49Å; F26-L112 HydrophobicContact CE2-CD1 3.8Å; F26-L112 HydrophobicContact CG-CD1 3.84Å; F26-L112 HydrophobicContact CG-CD2 4.37Å; F26-L112 HydrophobicContact CZ-CB 3.77Å; F26-L112 HydrophobicContact CZ-CD1 3.85Å; F26-L112 HydrophobicContact CZ-CD2 4.44Å; F26-L112 HydrophobicContact CZ-CG 4.23Å; F26-D138 HydrophobicContact CD2-CB 3.89Å; F26-D138 HydrophobicContact CE2-CB 3.78Å; F26-D138 WeakPolarHBondContact CE2-OD2 3.29Å
27	L	98.1	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-39.3	177.3	-68.7	173.3	0	0	0	111.3	L23 R24 K29 C30 K34 I36 L55 H58 V60 I80 F82	L23-L27 HydrophobicContact CD1-CD1 4.33Å; L23-L27 HydrophobicContact CD1-CG 4.36Å; L23-L27 HydrophobicContact CG-CD1 4.19Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 3.14Å; R24-L27 PolarHBondContact O-N 3.42Å; R24-L27 VanDerWaalsContact O-N 3.13Å; L27-K29 VanDerWaalsContact C-N 3.3Å; L27-K29 PolarHBondContact O-N 3.42Å; L27-C30 PolarHBondContact O-N 3.41Å; L27-C30 VanDerWaalsContact O-N 3.09Å; L27-K34 HydrophobicContact CD2-CD 4.25Å; L27-K34 WeakPolarHBondContact O-CE 3.47Å; L27-I36 HydrophobicContact CD2-CD1 4.37Å; L27-L55 HydrophobicContact CD1-CD2 3.97Å; L27-H58 HydrophobicContact CB-CB 3.92Å; L27-H58 HydrophobicContact CD1-CB 3.99Å; L27-V60 HydrophobicContact CD2-CG2 4.32Å; L27-I80 HydrophobicContact CD2-CD1 4.28Å; L27-F82 HydrophobicContact CD2-CZ 4.37Å
28	D	97.7	Very high	97.7	Very high	93 Å²	93	38.2 Å²	38.2	50%	0.497	20%	0.198	S	C	.	.	H	α-helix	trans	-68.2	-28.6	177.8	-69.7	-22.3	0	0	0	112.6	R24 F26 C30 H58	R24-D28 WeakPolarHBondContact O-CB 3.44Å; R24-D28 VanDerWaalsContact O-CG 3.3Å; R24-D28 PolarHBondContact O-N 3.32Å; F26-D28 VanDerWaalsContact C-N 3.31Å; F26-D28 PolarHBondContact O-N 3.01Å; D28-C30 PolarHBondContact O-N 3.47Å; D28-H58 IonicContact OD1-CE1 3.52Å; D28-H58 PolarHBondContact OD1-CE1 3.35Å; D28-H58 IonicContact OD1-CG 3.41Å; D28-H58 IonicContact OD1-ND1 3.6Å; D28-H58 PolarHBondContact OD1-ND1 3.04Å; D28-H58 IonicContact OD2-CE1 3.26Å; D28-H58 IonicContact OD2-ND1 2.71Å
29	K	97.4	Very high	97.7	Very high	108 Å²	108	37.2 Å²	37.2	47%	0.47	19%	0.189	S	C	.	.	H	α-helix	trans	-62.6	-26.4	170.9	-169.1	-176.1	177.7	-170.4	0	112.5	E25 F26 L27 A31 N136 D138	E25-K29 PolarHBondContact O-N 3.4Å; E25-K29 VanDerWaalsContact O-N 3.14Å; F26-K29 WeakPolarHBondContact O-CB 3.44Å; F26-K29 PolarHBondContact O-N 2.94Å; L27-K29 VanDerWaalsContact C-N 3.3Å; L27-K29 PolarHBondContact O-N 3.42Å; K29-A31 PolarHBondContact O-N 2.87Å; K29-N136 WeakPolarHBondContact CE-OD1 3.34Å; K29-D138 VanDerWaalsContact NZ-CG 3.3Å; K29-D138 IonicContact NZ-OD1 2.77Å; K29-D138 PolarHBondContact NZ-OD1 3.31Å; K29-D138 VanDerWaalsContact NZ-OD1 3.09Å; K29-D138 IonicContact NZ-OD2 3.44Å; K29-D138 PolarHBondContact NZ-OD2 3.47Å
30	C	97.3	Very high	97.6	Very high	1 Å²	1	43 Å²	43	1%	0.007	21%	0.214	C	C	.	.	S	Bend	trans	-99.1	66.2	-179.8	-53.7	0	0	0	0	111	L27 D28 K34 N78 I80	L27-C30 PolarHBondContact O-N 3.41Å; L27-C30 VanDerWaalsContact O-N 3.09Å; D28-C30 PolarHBondContact O-N 3.47Å; C30-K34 WeakPolarHBondContact O-CE 3.26Å; C30-K34 PolarHBondContact O-NZ 3.24Å; C30-N78 PolarHBondContact O-ND2 3.32Å; C30-I80 HydrophobicContact CB-CD1 3.84Å
31	A	96.7	Very high	97.4	Very high	60 Å²	60	44.1 Å²	44.1	50%	0.496	22%	0.219	S	C	.	.			trans	-60.3	137.2	-168.6	0	0	0	0	0	115	K29 K77 N78	K29-A31 PolarHBondContact O-N 2.87Å; A31-K77 PolarHBondContact O-NZ 3.44Å; A31-N78 PolarHBondContact O-ND2 3.47Å
32	G	96.8	Very high	97.4	Very high	20 Å²	20	38.9 Å²	38.9	21%	0.206	20%	0.196	C	C	.	.	S	Bend	trans	98.9	-177.7	-178.2	0	0	0	0	0	113.8	K34 E59 N78	G32-K34 WeakPolarHBondContact O-CG 3.16Å; G32-K34 PolarHBondContact O-NZ 3.31Å; G32-E59 VanDerWaalsContact CA-OE2 3.27Å; G32-E59 WeakPolarHBondContact CA-OE2 3.5Å; G32-N78 PolarHBondContact O-ND2 3.29Å
33	S	97.8	Very high	97.3	Very high	26 Å²	26	38 Å²	38	18%	0.182	20%	0.197	C	C	.	.			trans	-55.2	138.7	178.7	52.4	0	0	0	0	113.3	E59 E61 K77 N78	S33-E59 PolarHBondContact N-OE2 3.45Å; S33-E61 VanDerWaalsContact CB-OE1 3.24Å; S33-E61 WeakPolarHBondContact CB-OE1 3.49Å; S33-K77 PolarHBondContact O-N 3Å; S33-K77 PolarHBondContact OG-N 2.87Å; S33-K77 VanDerWaalsContact OG-N 3.09Å; S33-N78 PolarHBondContact O-N 3.07Å; S33-N78 PolarHBondContact O-ND2 3.5Å
34	K	98.3	Very high	97.1	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.4	-172	-43.7	168.8	-176.8	52.7	0	111.7	L27 C30 G32 H58 E59 V60 E61 N78 I80	L27-K34 HydrophobicContact CD2-CD 4.25Å; L27-K34 WeakPolarHBondContact O-CE 3.47Å; C30-K34 WeakPolarHBondContact O-CE 3.26Å; C30-K34 PolarHBondContact O-NZ 3.24Å; G32-K34 WeakPolarHBondContact O-CG 3.16Å; G32-K34 PolarHBondContact O-NZ 3.31Å; K34-H58 WeakPolarHBondContact CD-O 2.89Å; K34-H58 WeakPolarHBondContact CE-O 3.43Å; K34-H58 PolarHBondContact NZ-O 3.35Å; K34-E59 PolarHBondContact N-O 2.86Å; K34-V60 HydrophobicContact CB-CG2 4.27Å; K34-V60 HydrophobicContact CD-CG2 4.05Å; K34-E61 PolarHBondContact O-N 3.2Å; K34-N78 CarbonylContact C-O 3.6Å; K34-N78 WeakPolarHBondContact CA-O 3.38Å; K34-N78 HydrophobicContact CB-CB 4.49Å; K34-N78 HydrophobicContact CG-CB 4.29Å; K34-I80 HydrophobicContact CB-CD1 4.26Å; K34-I80 HydrophobicContact CD-CD1 3.88Å; K34-I80 HydrophobicContact CG-CD1 4.23Å
35	A	98	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.5	156.6	0	0	0	0	0	110.1	K62 F64 V76 N78 I79 I80	A35-K62 VanDerWaalsContact CA-O 3.3Å; A35-K62 WeakPolarHBondContact CA-O 3.3Å; A35-K62 HydrophobicContact CB-CB 3.85Å; A35-F64 HydrophobicContact CB-CD2 4.21Å; A35-F64 HydrophobicContact CB-CE2 3.78Å; A35-V76 HydrophobicContact CB-CG2 3.81Å; A35-N78 PolarHBondContact N-O 3.43Å; A35-I79 HydrophobicContact CB-CD1 3.87Å; A35-I80 PolarHBondContact O-N 3.14Å
36	I	98.6	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.5	174.2	-59.6	177.1	0	0	0	109.5	L27 W38 L55 V60 K62 M63 F64 I80 F82	L27-I36 HydrophobicContact CD2-CD1 4.37Å; I36-W38 HydrophobicContact CD1-CZ2 4.26Å; I36-W38 HydrophobicContact CG2-CD2 3.94Å; I36-W38 VanDerWaalsContact CG2-CE2 3.45Å; I36-W38 HydrophobicContact CG2-CG 4.1Å; I36-W38 HydrophobicContact CG2-CZ2 3.89Å; I36-W38 VanDerWaalsContact CG2-NE1 3.31Å; I36-L55 HydrophobicContact CD1-CD1 4.35Å; I36-L55 HydrophobicContact CD1-CD2 4.42Å; I36-V60 HydrophobicContact CD1-CG1 3.89Å; I36-V60 HydrophobicContact CD1-CG2 3.84Å; I36-V60 HydrophobicContact CG1-CG1 3.93Å; I36-V60 HydrophobicContact CG1-CG2 4.25Å; I36-K62 PolarHBondContact N-O 3.25Å; I36-M63 CarbonylContact O-C 3.58Å; I36-M63 VanDerWaalsContact O-CA 3.3Å; I36-M63 WeakPolarHBondContact O-CA 3.33Å; I36-F64 PolarHBondContact O-N 3.36Å; I36-I80 CarbonylContact C-O 3.49Å; I36-I80 WeakPolarHBondContact CA-O 3.48Å; I36-F82 HydrophobicContact CD1-CE1 4.16Å; I36-F82 HydrophobicContact CD1-CZ 4.15Å; I36-F82 HydrophobicContact CG1-CE1 4.39Å; I36-F82 HydrophobicContact CG2-CB 4.17Å; I36-F82 HydrophobicContact CG2-CD1 3.63Å; I36-F82 HydrophobicContact CG2-CE1 4.1Å; I36-F82 HydrophobicContact CG2-CG 3.87Å
37	V	98.5	Very high	96.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.4	172	-175.1	0	0	0	0	108.2	F64 L66 L71 I79 I80 F81 F82	V37-F64 WeakPolarHBondContact CA-O 3.5Å; V37-F64 HydrophobicContact CG2-CB 4.49Å; V37-F64 HydrophobicContact CG2-CD2 4.36Å; V37-L66 HydrophobicContact CG1-CB 3.97Å; V37-L66 HydrophobicContact CG1-CD1 3.75Å; V37-L71 HydrophobicContact CG1-CD2 4.15Å; V37-L71 HydrophobicContact CG2-CD1 4.35Å; V37-L71 HydrophobicContact CG2-CD2 3.82Å; V37-I79 HydrophobicContact CG2-CG2 3.86Å; V37-I80 PolarHBondContact N-O 3.36Å; V37-F81 HydrophobicContact CB-CD1 3.68Å; V37-F81 HydrophobicContact CB-CE1 3.96Å; V37-F81 HydrophobicContact CG1-CD1 3.83Å; V37-F81 HydrophobicContact CG1-CE1 3.93Å; V37-F81 HydrophobicContact CG2-CD1 4.29Å; V37-F81 HydrophobicContact CG2-CE1 4.14Å; V37-F81 WeakPolarHBondContact O-CA 3.36Å; V37-F82 PolarHBondContact O-N 3.08Å
38	W	98.4	Very high	96.7	Very high	18 Å²	18	32.5 Å²	32.5	7%	0.068	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.3	-171.2	-69	92.4	0	0	0	112.3	I36 E40 L42 T43 F46 L55 F64 L66 F82	I36-W38 HydrophobicContact CD1-CZ2 4.26Å; I36-W38 HydrophobicContact CG2-CD2 3.94Å; I36-W38 VanDerWaalsContact CG2-CE2 3.45Å; I36-W38 HydrophobicContact CG2-CG 4.1Å; I36-W38 HydrophobicContact CG2-CZ2 3.89Å; I36-W38 VanDerWaalsContact CG2-NE1 3.31Å; W38-E40 PolarHBondContact O-N 3.49Å; W38-L42 HydrophobicContact CE3-CB 4.18Å; W38-L42 HydrophobicContact CZ3-CB 4.39Å; W38-T43 HydrophobicContact CB-CG2 3.67Å; W38-T43 HydrophobicContact CD2-CG2 4.09Å; W38-T43 HydrophobicContact CE3-CG2 4.27Å; W38-T43 HydrophobicContact CG-CG2 3.85Å; W38-F46 HydrophobicContact CH2-CB 3.99Å; W38-F46 AromaticContact CH2-CD1 3.61Å; W38-F46 HydrophobicContact CH2-CD1 3.61Å; W38-F46 HydrophobicContact CH2-CD2 4.3Å; W38-F46 HydrophobicContact CH2-CE1 4.08Å; W38-F46 AromaticContact CH2-CG 3.71Å; W38-F46 HydrophobicContact CH2-CG 3.71Å; W38-F46 HydrophobicContact CZ3-CB 3.9Å; W38-F46 AromaticContact CZ3-CD1 3.83Å; W38-F46 HydrophobicContact CZ3-CD1 3.83Å; W38-F46 AromaticContact CZ3-CD2 3.65Å; W38-F46 HydrophobicContact CZ3-CD2 3.65Å; W38-F46 HydrophobicContact CZ3-CE1 4.2Å; W38-F46 HydrophobicContact CZ3-CE2 4.01Å; W38-F46 AromaticContact CZ3-CG 3.51Å; W38-F46 HydrophobicContact CZ3-CG 3.51Å; W38-F46 HydrophobicContact CZ3-CZ 4.26Å; W38-L55 HydrophobicContact CZ2-CD1 4.14Å; W38-F64 PolarHBondContact N-O 2.81Å; W38-L66 VanDerWaalsContact O-CB 3.25Å; W38-L66 WeakPolarHBondContact O-CB 3.29Å; W38-L66 PolarHBondContact O-N 2.86Å; W38-F82 HydrophobicContact CD2-CB 4.31Å; W38-F82 HydrophobicContact CE3-CB 3.81Å; W38-F82 HydrophobicContact CE3-CD2 4.17Å; W38-F82 HydrophobicContact CE3-CG 4.34Å; W38-F82 AromaticContact CH2-CD2 3.47Å; W38-F82 HydrophobicContact CH2-CD2 3.47Å; W38-F82 VanDerWaalsContact CH2-CD2 3.47Å; W38-F82 AromaticContact CH2-CE2 3.88Å; W38-F82 HydrophobicContact CH2-CE2 3.88Å; W38-F82 HydrophobicContact CH2-CG 4.27Å; W38-F82 HydrophobicContact CZ2-CD2 4.18Å; W38-F82 HydrophobicContact CZ2-CE2 4.49Å; W38-F82 HydrophobicContact CZ3-CB 3.98Å; W38-F82 AromaticContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CD2 3.47Å; W38-F82 VanDerWaalsContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CE2 4.31Å; W38-F82 HydrophobicContact CZ3-CG 4.09Å
39	D	97.7	Very high	96.7	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.048	16%	0.164	C	C	.	.			trans	-53.9	117.6	147.1	174.5	-0.6	0	0	0	108.5	Y41 L42 F82 V83 R84 L89	D39-Y41 PolarHBondContact O-N 3.17Å; D39-Y41 VanDerWaalsContact O-N 3.09Å; D39-Y41 PolarHBondContact OD1-N 3.22Å; D39-L42 HydrophobicContact CB-CD1 4.19Å; D39-L42 HydrophobicContact CB-CG 4.31Å; D39-L42 PolarHBondContact O-N 3.25Å; D39-F82 WeakPolarHBondContact CB-O 3.41Å; D39-F82 PolarHBondContact N-O 3.38Å; D39-V83 HydrophobicContact CB-CB 4.5Å; D39-V83 HydrophobicContact CB-CG2 4.18Å; D39-R84 IonicContact OD1-CZ 3.61Å; D39-R84 IonicContact OD1-NE 2.74Å; D39-R84 IonicContact OD1-NH2 3.56Å; D39-R84 PolarHBondContact OD1-NH2 2.94Å; D39-R84 WeakPolarHBondContact OD2-CB 3.3Å; D39-R84 WeakPolarHBondContact OD2-CG 3.42Å; D39-R84 IonicContact OD2-CZ 3.83Å; D39-R84 PolarHBondContact OD2-N 3.41Å; D39-R84 IonicContact OD2-NE 2.8Å; D39-R84 PolarHBondContact OD2-NE 3.35Å; D39-R84 IonicContact OD2-NH2 2.82Å; D39-R84 PolarHBondContact OD2-NH2 2.98Å; D39-R84 VanDerWaalsContact OD2-NH2 3.16Å; D39-L89 HydrophobicContact CB-CD1 4.36Å; D39-L89 WeakPolarHBondContact OD2-CD1 3.19Å
40	E	95.1	Very high	96.5	Very high	132 Å²	132	23.4 Å²	23.4	62%	0.617	15%	0.145	S	C	*	.	H	α-helix	trans	-53.5	-37.2	-170.7	-173	171.8	-177.4	0	0	112.2	W38 L42 T43 T65	W38-E40 PolarHBondContact O-N 3.49Å; E40-L42 PolarHBondContact O-N 3.17Å; E40-T43 PolarHBondContact O-N 2.74Å; E40-T43 PolarHBondContact O-OG1 3.08Å; E40-T65 HydrophobicContact CB-CG2 3.91Å; E40-T65 HydrophobicContact CG-CG2 4.32Å
41	Y	94.8	Very high	96.3	Very high	58 Å²	58	27.5 Å²	27.5	23%	0.227	16%	0.164	C	C	.	.	H	α-helix	trans	-58.8	-34.9	179.9	-175.2	-87.9	0	0	0	113.1	D39 T43 P45 R84 E155 E157	D39-Y41 PolarHBondContact O-N 3.17Å; D39-Y41 VanDerWaalsContact O-N 3.09Å; D39-Y41 PolarHBondContact OD1-N 3.22Å; Y41-T43 VanDerWaalsContact C-N 3.32Å; Y41-T43 PolarHBondContact O-N 3.21Å; Y41-P45 WeakPolarHBondContact O-CD 3.41Å; Y41-R84 VanDerWaalsContact CD1-CZ 3.49Å; Y41-R84 VanDerWaalsContact CD1-NH1 3.33Å; Y41-R84 VanDerWaalsContact CD2-NH1 3.34Å; Y41-E155 WeakPolarHBondContact CE1-O 3.35Å; Y41-E155 PolarHBondContact OH-O 3.43Å; Y41-E157 HydrophobicContact CE2-CB 4.28Å; Y41-E157 PolarHBondContact OH-N 2.72Å; Y41-E157 VanDerWaalsContact OH-N 3.12Å
42	L	96.4	Very high	96.1	Very high	11 Å²	11	29.1 Å²	29.1	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-74.8	-22.8	-176.4	-69.2	179.4	0	0	0	112.6	W38 D39 E40 G44 P45 F46 R84 V114	W38-L42 HydrophobicContact CE3-CB 4.18Å; W38-L42 HydrophobicContact CZ3-CB 4.39Å; D39-L42 HydrophobicContact CB-CD1 4.19Å; D39-L42 HydrophobicContact CB-CG 4.31Å; D39-L42 PolarHBondContact O-N 3.25Å; E40-L42 PolarHBondContact O-N 3.17Å; L42-G44 VanDerWaalsContact C-N 3.34Å; L42-G44 PolarHBondContact O-N 2.79Å; L42-P45 WeakPolarHBondContact O-CD 3.31Å; L42-F46 HydrophobicContact CB-CD2 3.94Å; L42-F46 HydrophobicContact CB-CE2 4.19Å; L42-F46 HydrophobicContact CD1-CE2 4.34Å; L42-F46 HydrophobicContact CD2-CE2 4.35Å; L42-F46 VanDerWaalsContact O-CB 3.29Å; L42-F46 WeakPolarHBondContact O-CB 3.41Å; L42-F46 WeakPolarHBondContact O-CD2 3.24Å; L42-F46 PolarHBondContact O-N 3.43Å; L42-R84 HydrophobicContact CD1-CG 4.26Å; L42-R84 HydrophobicContact CD2-CG 3.8Å; L42-R84 HydrophobicContact CG-CG 4.08Å; L42-V114 HydrophobicContact CD1-CB 3.96Å; L42-V114 HydrophobicContact CD1-CG2 4.04Å; L42-V114 HydrophobicContact CD2-CB 4.29Å; L42-V114 HydrophobicContact CD2-CG1 4.2Å
43	T	95.1	Very high	96	Very high	66 Å²	66	31.9 Å²	31.9	41%	0.405	17%	0.174	S	C	.	.	H	α-helix	trans	-60	-41.1	-173.4	61.9	0	0	0	0	113.2	W38 E40 Y41 G47	W38-T43 HydrophobicContact CB-CG2 3.67Å; W38-T43 HydrophobicContact CD2-CG2 4.09Å; W38-T43 HydrophobicContact CE3-CG2 4.27Å; W38-T43 HydrophobicContact CG-CG2 3.85Å; E40-T43 PolarHBondContact O-N 2.74Å; E40-T43 PolarHBondContact O-OG1 3.08Å; Y41-T43 VanDerWaalsContact C-N 3.32Å; Y41-T43 PolarHBondContact O-N 3.21Å; T43-G47 PolarHBondContact O-N 3.44Å
44	G	94	Very high	95.9	Very high	24 Å²	24	31 Å²	31	25%	0.247	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-61.7	177.6	0	0	0	0	0	112.5	L42 F46 G47 N258	L42-G44 VanDerWaalsContact C-N 3.34Å; L42-G44 PolarHBondContact O-N 2.79Å; G44-F46 VanDerWaalsContact C-N 3.31Å; G44-F46 PolarHBondContact O-N 2.99Å; G44-G47 PolarHBondContact O-N 2.93Å; G44-G47 VanDerWaalsContact O-N 3.09Å; G44-N258 VanDerWaalsContact C-CG 3.43Å; G44-N258 WeakPolarHBondContact CA-OD1 3.37Å
45	P	95.8	Very high	95.9	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-56.6	-39.9	177.8	-25	32.9	0	0	0	113.5	Y41 L42 G47 L48 I145 E155	Y41-P45 WeakPolarHBondContact O-CD 3.41Å; L42-P45 WeakPolarHBondContact O-CD 3.31Å; P45-G47 VanDerWaalsContact C-N 3.25Å; P45-G47 PolarHBondContact O-N 3.25Å; P45-L48 WeakPolarHBondContact O-CB 3.48Å; P45-L48 PolarHBondContact O-N 2.91Å; P45-L48 VanDerWaalsContact O-N 3.1Å; P45-I145 HydrophobicContact CB-CD1 3.53Å; P45-E155 HydrophobicContact CB-CB 4.26Å; P45-E155 HydrophobicContact CB-CG 4.36Å; P45-E155 HydrophobicContact CG-CB 3.89Å; P45-E155 HydrophobicContact CG-CG 4.19Å
46	F	95.5	Very high	95.8	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-31.2	177.3	-98.5	-97.8	0	0	0	113.4	L23 W38 L42 G44 L48 I49 A50 F82 V114 Y140 L142	L23-F46 HydrophobicContact CD2-CE1 4.49Å; W38-F46 HydrophobicContact CH2-CB 3.99Å; W38-F46 AromaticContact CH2-CD1 3.61Å; W38-F46 HydrophobicContact CH2-CD1 3.61Å; W38-F46 HydrophobicContact CH2-CD2 4.3Å; W38-F46 HydrophobicContact CH2-CE1 4.08Å; W38-F46 AromaticContact CH2-CG 3.71Å; W38-F46 HydrophobicContact CH2-CG 3.71Å; W38-F46 HydrophobicContact CZ3-CB 3.9Å; W38-F46 AromaticContact CZ3-CD1 3.83Å; W38-F46 HydrophobicContact CZ3-CD1 3.83Å; W38-F46 AromaticContact CZ3-CD2 3.65Å; W38-F46 HydrophobicContact CZ3-CD2 3.65Å; W38-F46 HydrophobicContact CZ3-CE1 4.2Å; W38-F46 HydrophobicContact CZ3-CE2 4.01Å; W38-F46 AromaticContact CZ3-CG 3.51Å; W38-F46 HydrophobicContact CZ3-CG 3.51Å; W38-F46 HydrophobicContact CZ3-CZ 4.26Å; L42-F46 HydrophobicContact CB-CD2 3.94Å; L42-F46 HydrophobicContact CB-CE2 4.19Å; L42-F46 HydrophobicContact CD1-CE2 4.34Å; L42-F46 HydrophobicContact CD2-CE2 4.35Å; L42-F46 VanDerWaalsContact O-CB 3.29Å; L42-F46 WeakPolarHBondContact O-CB 3.41Å; L42-F46 WeakPolarHBondContact O-CD2 3.24Å; L42-F46 PolarHBondContact O-N 3.43Å; G44-F46 VanDerWaalsContact C-N 3.31Å; G44-F46 PolarHBondContact O-N 2.99Å; F46-L48 PolarHBondContact O-N 3.41Å; F46-L48 VanDerWaalsContact O-N 3.14Å; F46-I49 WeakPolarHBondContact O-CA 3.26Å; F46-I49 PolarHBondContact O-N 3.36Å; F46-A50 PolarHBondContact O-N 2.93Å; F46-F82 AromaticContact CE1-CD2 3.89Å; F46-F82 HydrophobicContact CE1-CD2 3.89Å; F46-F82 AromaticContact CE1-CE2 3.75Å; F46-F82 HydrophobicContact CE1-CE2 3.75Å; F46-F82 HydrophobicContact CE2-CD2 4.43Å; F46-F82 AromaticContact CZ-CD2 3.75Å; F46-F82 HydrophobicContact CZ-CD2 3.75Å; F46-F82 AromaticContact CZ-CE2 4Å; F46-F82 HydrophobicContact CZ-CE2 4Å; F46-V114 HydrophobicContact CE2-CB 4.48Å; F46-V114 HydrophobicContact CE2-CG1 4.03Å; F46-V114 HydrophobicContact CE2-CG2 3.96Å; F46-V114 HydrophobicContact CZ-CG1 4.41Å; F46-V114 HydrophobicContact CZ-CG2 3.89Å; F46-Y140 HydrophobicContact CE1-CD1 4.06Å; F46-Y140 AromaticContact CE1-CE1 3.63Å; F46-Y140 HydrophobicContact CE1-CE1 3.63Å; F46-Y140 AromaticContact CZ-CD1 3.63Å; F46-Y140 HydrophobicContact CZ-CD1 3.63Å; F46-Y140 AromaticContact CZ-CE1 3.59Å; F46-Y140 HydrophobicContact CZ-CE1 3.59Å; F46-L142 HydrophobicContact CD2-CD2 4.28Å; F46-L142 HydrophobicContact CE2-CD2 4.13Å; F46-L142 HydrophobicContact CZ-CD2 4.35Å
47	G	95.4	Very high	95.8	Very high	21 Å²	21	44.4 Å²	44.4	22%	0.216	23%	0.228	C	C	.	.	H	α-helix	trans	-57.4	-26.7	175.5	0	0	0	0	0	113.3	T43 G44 P45 I49 Q51	T43-G47 PolarHBondContact O-N 3.44Å; G44-G47 PolarHBondContact O-N 2.93Å; G44-G47 VanDerWaalsContact O-N 3.09Å; P45-G47 VanDerWaalsContact C-N 3.25Å; P45-G47 PolarHBondContact O-N 3.25Å; G47-I49 VanDerWaalsContact C-N 3.32Å; G47-Q51 PolarHBondContact O-NE2 2.89Å
48	L	96.2	Very high	95.7	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	23%	0.233	C	C	.	.	H	α-helix	trans	-74.5	-24.2	175.2	-63.8	170.2	0	0	0	112.4	R16 P45 F46 I145 F147 N258	R16-L48 PolarHBondContact NE-O 3.31Å; R16-L48 VanDerWaalsContact NE-O 3.08Å; R16-L48 PolarHBondContact NH2-O 3Å; P45-L48 WeakPolarHBondContact O-CB 3.48Å; P45-L48 PolarHBondContact O-N 2.91Å; P45-L48 VanDerWaalsContact O-N 3.1Å; F46-L48 PolarHBondContact O-N 3.41Å; F46-L48 VanDerWaalsContact O-N 3.14Å; L48-I145 HydrophobicContact CB-CG2 3.66Å; L48-I145 HydrophobicContact CD1-CG2 3.76Å; L48-I145 HydrophobicContact CG-CG2 4.37Å; L48-F147 HydrophobicContact CD1-CD1 4.04Å; L48-F147 HydrophobicContact CD1-CD2 3.65Å; L48-F147 HydrophobicContact CD1-CE1 3.78Å; L48-F147 HydrophobicContact CD1-CE2 3.32Å; L48-F147 HydrophobicContact CD1-CG 3.98Å; L48-F147 HydrophobicContact CD1-CZ 3.4Å; L48-N258 HydrophobicContact CD1-CB 4.38Å
49	I	96.7	Very high	95.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-90.5	-62.6	176.9	-56.2	-57.8	0	0	0	110.5	R16 A19 R20 F46 G47 L142 I145	R16-I49 HydrophobicContact CG-CD1 4.4Å; R16-I49 PolarHBondContact NE-O 3.49Å; R16-I49 PolarHBondContact NH2-O 3.24Å; A19-I49 HydrophobicContact CB-CG2 4.31Å; R20-I49 HydrophobicContact CG-CG2 3.88Å; R20-I49 PolarHBondContact NE-O 2.93Å; R20-I49 PolarHBondContact NH2-O 3.48Å; F46-I49 WeakPolarHBondContact O-CA 3.26Å; F46-I49 PolarHBondContact O-N 3.36Å; G47-I49 VanDerWaalsContact C-N 3.32Å; I49-L142 HydrophobicContact CD1-CD1 3.83Å; I49-L142 HydrophobicContact CG1-CD1 3.74Å; I49-L142 HydrophobicContact CG1-CD2 3.97Å; I49-I145 HydrophobicContact CD1-CG2 4.07Å; I49-I145 HydrophobicContact CG1-CG2 4.45Å
50	A	94.3	Very high	95.8	Very high	9 Å²	9	49 Å²	49	7%	0.074	25%	0.25	C	S	.	.			trans	-131	134.6	-172.4	0	0	0	0	0	111.5	L23 F46 L54	L23-A50 HydrophobicContact CD2-CB 3.83Å; F46-A50 PolarHBondContact O-N 2.93Å; A50-L54 HydrophobicContact CB-CB 4.42Å; A50-L54 HydrophobicContact CB-CD1 4.18Å; A50-L54 HydrophobicContact CB-CD2 4.08Å; A50-L54 HydrophobicContact CB-CG 4.48Å
51	Q	92.5	Very high	95.9	Very high	87 Å²	87	47.5 Å²	47.5	41%	0.407	24%	0.243	S	C	.	.			trans	-94.1	164.7	172.1	-66.5	-67.3	-35.5	0	0	109.2	G47 S53 L54 L55	G47-Q51 PolarHBondContact O-NE2 2.89Å; Q51-S53 PolarHBondContact O-N 2.96Å; Q51-L54 PolarHBondContact O-N 3.23Å; Q51-L55 PolarHBondContact O-N 3.32Å
52	Y	93.1	Very high	96	Very high	94 Å²	94	49.8 Å²	49.8	37%	0.369	25%	0.254	S	S	.	.	H	α-helix	trans	-53.9	-31.5	178.4	176.1	-114	0	0	0	113.2	L54 L55 K56 V60 M63	Y52-L54 VanDerWaalsContact C-N 3.3Å; Y52-L54 PolarHBondContact O-N 3.22Å; Y52-L55 PolarHBondContact O-N 3.09Å; Y52-L55 VanDerWaalsContact O-N 3.17Å; Y52-K56 HydrophobicContact CE1-CB 4.34Å; Y52-K56 HydrophobicContact CE1-CD 3.99Å; Y52-K56 HydrophobicContact CE2-CB 4.41Å; Y52-K56 WeakPolarHBondContact O-CB 3.37Å; Y52-K56 PolarHBondContact O-N 2.8Å; Y52-V60 PolarHBondContact OH-O 3.28Å; Y52-M63 HydrophobicContact CD2-CE 3.39Å; Y52-M63 HydrophobicContact CD2-SD 3.91Å; Y52-M63 HydrophobicContact CE2-CE 4.06Å; Y52-M63 HydrophobicContact CG-CE 3.99Å
53	S	94.7	Very high	96	Very high	78 Å²	78	53.2 Å²	53.2	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-56	-43.2	175.6	56.4	0	0	0	0	112.8	Q51 K56 E57	Q51-S53 PolarHBondContact O-N 2.96Å; S53-K56 PolarHBondContact O-N 3.2Å; S53-E57 WeakPolarHBondContact O-CG 3.44Å; S53-E57 PolarHBondContact O-N 3.13Å
54	L	95.6	Very high	96.1	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-44.2	176.5	-176.3	156.8	0	0	0	110.7	R20 L23 R24 A50 Q51 Y52 K56 E57 H58	R20-L54 HydrophobicContact CG-CD1 4.13Å; L23-L54 HydrophobicContact CD2-CD2 4.48Å; R24-L54 HydrophobicContact CG-CD2 4.39Å; A50-L54 HydrophobicContact CB-CB 4.42Å; A50-L54 HydrophobicContact CB-CD1 4.18Å; A50-L54 HydrophobicContact CB-CD2 4.08Å; A50-L54 HydrophobicContact CB-CG 4.48Å; Q51-L54 PolarHBondContact O-N 3.23Å; Y52-L54 VanDerWaalsContact C-N 3.3Å; Y52-L54 PolarHBondContact O-N 3.22Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 2.99Å; L54-E57 WeakPolarHBondContact O-CB 3.3Å; L54-E57 PolarHBondContact O-N 2.77Å; L54-H58 PolarHBondContact O-CD2 2.82Å
55	L	97.2	Very high	96.3	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-39.1	179.6	-58.7	178.9	0	0	0	111.4	L23 L27 I36 W38 Q51 Y52 E57 H58 V60 M63	L23-L55 HydrophobicContact CD2-CD2 4.24Å; L27-L55 HydrophobicContact CD1-CD2 3.97Å; I36-L55 HydrophobicContact CD1-CD1 4.35Å; I36-L55 HydrophobicContact CD1-CD2 4.42Å; W38-L55 HydrophobicContact CZ2-CD1 4.14Å; Q51-L55 PolarHBondContact O-N 3.32Å; Y52-L55 PolarHBondContact O-N 3.09Å; Y52-L55 VanDerWaalsContact O-N 3.17Å; L55-E57 VanDerWaalsContact C-N 3.32Å; L55-E57 PolarHBondContact O-N 3.15Å; L55-H58 CarbonylContact O-C 3.58Å; L55-H58 PolarHBondContact O-N 3.07Å; L55-H58 VanDerWaalsContact O-N 3.08Å; L55-V60 HydrophobicContact CB-CB 3.93Å; L55-V60 HydrophobicContact CB-CG1 4.29Å; L55-V60 HydrophobicContact CB-CG2 4.02Å; L55-V60 VanDerWaalsContact O-CB 3.29Å; L55-V60 WeakPolarHBondContact O-CB 3.34Å; L55-V60 VanDerWaalsContact O-CG2 3.26Å; L55-V60 WeakPolarHBondContact O-CG2 3.43Å; L55-V60 PolarHBondContact O-N 3.26Å; L55-M63 HydrophobicContact CD1-SD 3.84Å
56	K	97.3	Very high	96.4	Very high	132 Å²	132	53.9 Å²	53.9	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-64.8	-33.2	179.2	-170.5	178.8	-179.3	-179	0	112.8	Y52 S53 L54 H58 E59	Y52-K56 HydrophobicContact CE1-CB 4.34Å; Y52-K56 HydrophobicContact CE1-CD 3.99Å; Y52-K56 HydrophobicContact CE2-CB 4.41Å; Y52-K56 WeakPolarHBondContact O-CB 3.37Å; Y52-K56 PolarHBondContact O-N 2.8Å; S53-K56 PolarHBondContact O-N 3.2Å; L54-K56 VanDerWaalsContact C-N 3.27Å; L54-K56 PolarHBondContact O-N 2.99Å; K56-H58 PolarHBondContact O-N 3.29Å; K56-E59 PolarHBondContact O-N 3.45Å
57	E	97.3	Very high	96.4	Very high	143 Å²	143	60.5 Å²	60.5	67%	0.668	30%	0.295	S	S	*	.	H	α-helix	trans	-60.6	-23.4	174	-70.2	164.2	-164.5	0	0	112.3	S53 L54 L55	S53-E57 WeakPolarHBondContact O-CG 3.44Å; S53-E57 PolarHBondContact O-N 3.13Å; L54-E57 WeakPolarHBondContact O-CB 3.3Å; L54-E57 PolarHBondContact O-N 2.77Å; L55-E57 VanDerWaalsContact C-N 3.32Å; L55-E57 PolarHBondContact O-N 3.15Å
58	H	97.9	Very high	96.3	Very high	23 Å²	23	63.4 Å²	63.4	11%	0.106	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	35.9	177.7	-64.7	-93.9	0	0	0	112	R24 L27 D28 K34 L54 L55 K56 V60	R24-H58 VanDerWaalsContact CG-NE2 3.3Å; R24-H58 WeakPolarHBondContact CG-NE2 3.49Å; L27-H58 HydrophobicContact CB-CB 3.92Å; L27-H58 HydrophobicContact CD1-CB 3.99Å; D28-H58 IonicContact OD1-CE1 3.52Å; D28-H58 PolarHBondContact OD1-CE1 3.35Å; D28-H58 IonicContact OD1-CG 3.41Å; D28-H58 IonicContact OD1-ND1 3.6Å; D28-H58 PolarHBondContact OD1-ND1 3.04Å; D28-H58 IonicContact OD2-CE1 3.26Å; D28-H58 IonicContact OD2-ND1 2.71Å; K34-H58 WeakPolarHBondContact CD-O 2.89Å; K34-H58 WeakPolarHBondContact CE-O 3.43Å; K34-H58 PolarHBondContact NZ-O 3.35Å; L54-H58 PolarHBondContact O-CD2 2.82Å; L55-H58 CarbonylContact O-C 3.58Å; L55-H58 PolarHBondContact O-N 3.07Å; L55-H58 VanDerWaalsContact O-N 3.08Å; K56-H58 PolarHBondContact O-N 3.29Å; H58-V60 VanDerWaalsContact C-N 3.28Å; H58-V60 PolarHBondContact O-N 3.16Å
59	E	98.1	Very high	96.1	Very high	100 Å²	100	63.6 Å²	63.6	47%	0.467	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	27.7	173.9	-52.7	171.2	-111.1	0	0	115.2	G32 S33 K34 K56 E61	G32-E59 VanDerWaalsContact CA-OE2 3.27Å; G32-E59 WeakPolarHBondContact CA-OE2 3.5Å; S33-E59 PolarHBondContact N-OE2 3.45Å; K34-E59 PolarHBondContact N-O 2.86Å; K56-E59 PolarHBondContact O-N 3.45Å; E59-E61 PolarHBondContact O-N 3.24Å
60	V	98.1	Very high	95.8	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	105	169.3	-178.4	0	0	0	0	109.7	L27 K34 I36 Y52 L55 H58 M63	L27-V60 HydrophobicContact CD2-CG2 4.32Å; K34-V60 HydrophobicContact CB-CG2 4.27Å; K34-V60 HydrophobicContact CD-CG2 4.05Å; I36-V60 HydrophobicContact CD1-CG1 3.89Å; I36-V60 HydrophobicContact CD1-CG2 3.84Å; I36-V60 HydrophobicContact CG1-CG1 3.93Å; I36-V60 HydrophobicContact CG1-CG2 4.25Å; Y52-V60 PolarHBondContact OH-O 3.28Å; L55-V60 HydrophobicContact CB-CB 3.93Å; L55-V60 HydrophobicContact CB-CG1 4.29Å; L55-V60 HydrophobicContact CB-CG2 4.02Å; L55-V60 VanDerWaalsContact O-CB 3.29Å; L55-V60 WeakPolarHBondContact O-CB 3.34Å; L55-V60 VanDerWaalsContact O-CG2 3.26Å; L55-V60 WeakPolarHBondContact O-CG2 3.43Å; L55-V60 PolarHBondContact O-N 3.26Å; H58-V60 VanDerWaalsContact C-N 3.28Å; H58-V60 PolarHBondContact O-N 3.16Å; V60-M63 HydrophobicContact CG1-CG 4.14Å
61	E	97.7	Very high	95.7	Very high	101 Å²	101	71 Å²	71	47%	0.472	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-31.6	-175.3	-64.2	-175.3	-163.9	0	0	112.9	S33 K34 E59 V76	S33-E61 VanDerWaalsContact CB-OE1 3.24Å; S33-E61 WeakPolarHBondContact CB-OE1 3.49Å; K34-E61 PolarHBondContact O-N 3.2Å; E59-E61 PolarHBondContact O-N 3.24Å; E61-V76 HydrophobicContact CB-CG1 4.32Å
62	K	97.3	Very high	95.7	Very high	106 Å²	106	70 Å²	70	46%	0.461	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.8	-176.8	-58.6	-65.8	177.1	-176.4	0	111.5	A35 I36 F64 A74	A35-K62 VanDerWaalsContact CA-O 3.3Å; A35-K62 WeakPolarHBondContact CA-O 3.3Å; A35-K62 HydrophobicContact CB-CB 3.85Å; I36-K62 PolarHBondContact N-O 3.25Å; K62-F64 HydrophobicContact CB-CE1 4.28Å; K62-F64 HydrophobicContact CB-CE2 4.02Å; K62-F64 HydrophobicContact CB-CZ 3.71Å; K62-F64 HydrophobicContact CG-CZ 4.19Å; K62-A74 HydrophobicContact CG-CB 4.14Å
63	M	97.4	Very high	95.4	Very high	82 Å²	82	70 Å²	70	40%	0.404	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.3	172.8	-63.1	-175.2	-63.1	0	0	108.8	I36 Y52 L55 V60	I36-M63 CarbonylContact O-C 3.58Å; I36-M63 VanDerWaalsContact O-CA 3.3Å; I36-M63 WeakPolarHBondContact O-CA 3.33Å; Y52-M63 HydrophobicContact CD2-CE 3.39Å; Y52-M63 HydrophobicContact CD2-SD 3.91Å; Y52-M63 HydrophobicContact CE2-CE 4.06Å; Y52-M63 HydrophobicContact CG-CE 3.99Å; L55-M63 HydrophobicContact CD1-SD 3.84Å; V60-M63 HydrophobicContact CG1-CG 4.14Å
64	F	97.1	Very high	95.2	Very high	36 Å²	36	66.5 Å²	66.5	16%	0.158	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.9	-179.6	-54.3	-55.3	0	0	0	110.2	A35 I36 V37 W38 K62 P72 A74	A35-F64 HydrophobicContact CB-CD2 4.21Å; A35-F64 HydrophobicContact CB-CE2 3.78Å; I36-F64 PolarHBondContact O-N 3.36Å; V37-F64 WeakPolarHBondContact CA-O 3.5Å; V37-F64 HydrophobicContact CG2-CB 4.49Å; V37-F64 HydrophobicContact CG2-CD2 4.36Å; W38-F64 PolarHBondContact N-O 2.81Å; K62-F64 HydrophobicContact CB-CE1 4.28Å; K62-F64 HydrophobicContact CB-CE2 4.02Å; K62-F64 HydrophobicContact CB-CZ 3.71Å; K62-F64 HydrophobicContact CG-CZ 4.19Å; F64-P72 HydrophobicContact CD1-CB 4.11Å; F64-P72 HydrophobicContact CD1-CG 3.78Å; F64-P72 HydrophobicContact CE1-CB 3.73Å; F64-P72 HydrophobicContact CE1-CG 3.95Å; F64-P72 HydrophobicContact CE2-CB 4.48Å; F64-P72 HydrophobicContact CG-CG 4.13Å; F64-P72 HydrophobicContact CZ-CB 3.93Å; F64-P72 HydrophobicContact CZ-CG 4.41Å; F64-A74 HydrophobicContact CE2-CB 4.12Å; F64-A74 HydrophobicContact CZ-CB 4.01Å
65	T	97.6	Very high	95	Very high	60 Å²	60	73.3 Å²	73.3	37%	0.368	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.8	167	-53.6	0	0	0	0	109	E40 K67	E40-T65 HydrophobicContact CB-CG2 3.91Å; E40-T65 HydrophobicContact CG-CG2 4.32Å; T65-K67 PolarHBondContact O-N 2.92Å
66	L	97.5	Very high	94.8	Very high	18 Å²	18	73.4 Å²	73.4	9%	0.094	37%	0.374	C	S	.	.			trans	-62.5	117.7	173.9	-175.6	65.7	0	0	0	109.3	V37 W38 F81 V83 L89 I92 I93 N96	V37-L66 HydrophobicContact CG1-CB 3.97Å; V37-L66 HydrophobicContact CG1-CD1 3.75Å; W38-L66 VanDerWaalsContact O-CB 3.25Å; W38-L66 WeakPolarHBondContact O-CB 3.29Å; W38-L66 PolarHBondContact O-N 2.86Å; L66-F81 HydrophobicContact CD1-CD1 4.01Å; L66-F81 HydrophobicContact CD1-CE1 4.08Å; L66-V83 HydrophobicContact CD2-CG2 4.26Å; L66-L89 HydrophobicContact CD2-CB 4.27Å; L66-L89 HydrophobicContact CD2-CD2 4.18Å; L66-I92 HydrophobicContact CD1-CG2 3.78Å; L66-I92 HydrophobicContact CD2-CG2 4.39Å; L66-I92 HydrophobicContact CG-CB 4.42Å; L66-I92 HydrophobicContact CG-CG2 3.75Å; L66-I93 HydrophobicContact CD1-CG1 3.87Å; L66-I93 HydrophobicContact CD2-CG1 4.22Å; L66-N96 VanDerWaalsContact CD1-OD1 3.25Å; L66-N96 WeakPolarHBondContact CD1-OD1 3.32Å
67	K	95.5	Very high	94.7	Very high	145 Å²	145	72 Å²	72	63%	0.63	37%	0.368	S	S	*	.			trans	-141.4	151	177.3	-66.4	-172.7	179	-173.6	0	108.9	T65 I92 N96	T65-K67 PolarHBondContact O-N 2.92Å; K67-I92 VanDerWaalsContact C-CG2 3.43Å; K67-I92 WeakPolarHBondContact O-CG2 3.49Å; K67-N96 PolarHBondContact O-ND2 3.09Å
68	S	92.8	Very high	94.8	Very high	81 Å²	81	65.4 Å²	65.4	57%	0.566	34%	0.337	S	S	*	.	S	Bend	trans	-59.5	149.3	173.2	172.5	0	0	0	0	111.4	Q95	S68-Q95 PolarHBondContact OG-OE1 3.38Å
69	G	91.6	Very high	94.8	Very high	23 Å²	23	64.3 Å²	64.3	24%	0.237	33%	0.332	C	S	.	.	S	Bend	trans	96.2	-153.7	177.7	0	0	0	0	0	114.1	N96	G69-N96 WeakPolarHBondContact O-CA 2.98Å; G69-N96 PolarHBondContact O-ND2 2.92Å
70	R	91.5	Very high	94.8	Very high	151 Å²	151	59.6 Å²	59.6	57%	0.57	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-79.1	135.9	-175.7	-177.5	-178.8	-82.2	-160.3	-5.5	111.2	S99 D101	R70-S99 PolarHBondContact NE-O 3.37Å; R70-D101 IonicContact CZ-OD2 3.42Å; R70-D101 IonicContact NH1-OD2 3.71Å; R70-D101 PolarHBondContact NH1-OD2 3.39Å; R70-D101 IonicContact NH2-OD2 2.86Å; R70-D101 PolarHBondContact NH2-OD2 3.02Å
71	L	92.6	Very high	94.8	Very high	14 Å²	14	59.6 Å²	59.6	7%	0.073	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65	145.6	171.3	-68.7	173.4	0	0	0	111.2	V37 I79 F81 N96	V37-L71 HydrophobicContact CG1-CD2 4.15Å; V37-L71 HydrophobicContact CG2-CD1 4.35Å; V37-L71 HydrophobicContact CG2-CD2 3.82Å; L71-I79 HydrophobicContact CD1-CG2 3.85Å; L71-F81 HydrophobicContact CD1-CZ 4.28Å; L71-N96 HydrophobicContact CD1-CB 4.23Å; L71-N96 HydrophobicContact CD2-CB 4.19Å; L71-N96 HydrophobicContact CG-CB 3.94Å
72	P	91.9	Very high	94.9	Very high	68 Å²	68	54.8 Å²	54.8	44%	0.442	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-55.8	146.2	172.6	-23.8	34.4	0	0	0	111.8	F64 A74	F64-P72 HydrophobicContact CD1-CB 4.11Å; F64-P72 HydrophobicContact CD1-CG 3.78Å; F64-P72 HydrophobicContact CE1-CB 3.73Å; F64-P72 HydrophobicContact CE1-CG 3.95Å; F64-P72 HydrophobicContact CE2-CB 4.48Å; F64-P72 HydrophobicContact CG-CG 4.13Å; F64-P72 HydrophobicContact CZ-CB 3.93Å; F64-P72 HydrophobicContact CZ-CG 4.41Å; P72-A74 PolarHBondContact O-N 3.41Å
73	S	87.8	Confident	94.9	Very high	93 Å²	93	49.8 Å²	49.8	65%	0.65	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-65.9	128.5	178.1	-170.8	0	0	0	0	110.8
74	A	89.1	Confident	94.9	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.041	26%	0.256	C	S	.	.			trans	-143.8	131.3	175.7	0	0	0	0	0	109.3	K62 F64 P72 V76 R107	K62-A74 HydrophobicContact CG-CB 4.14Å; F64-A74 HydrophobicContact CE2-CB 4.12Å; F64-A74 HydrophobicContact CZ-CB 4.01Å; P72-A74 PolarHBondContact O-N 3.41Å; A74-V76 HydrophobicContact CB-CG1 4.31Å; A74-V76 HydrophobicContact CB-CG2 3.98Å; A74-V76 PolarHBondContact O-N 3.4Å; A74-R107 VanDerWaalsContact O-CZ 3.25Å; A74-R107 PolarHBondContact O-NE 2.75Å; A74-R107 PolarHBondContact O-NH2 3Å
75	D	91.2	Very high	94.9	Very high	150 Å²	150	48.8 Å²	48.8	80%	0.802	26%	0.262	S	S	*	.			trans	-83.2	71.4	174.9	-168.2	24.4	0	0	0	109.6
76	V	94.3	Very high	94.8	Very high	10 Å²	10	50.5 Å²	50.5	6%	0.061	26%	0.262	C	S	.	.			trans	-129.6	149.4	-179.4	-62.4	0	0	0	0	109.9	A35 E61 A74 I79	A35-V76 HydrophobicContact CB-CG2 3.81Å; E61-V76 HydrophobicContact CB-CG1 4.32Å; A74-V76 HydrophobicContact CB-CG1 4.31Å; A74-V76 HydrophobicContact CB-CG2 3.98Å; A74-V76 PolarHBondContact O-N 3.4Å; V76-I79 HydrophobicContact CG2-CD1 3.78Å
77	K	95.5	Very high	94.7	Very high	103 Å²	103	53.6 Å²	53.6	45%	0.448	28%	0.278	S	S	.	.	S	Bend	trans	-74.2	-41.1	177.1	-175.8	-175.5	171.5	-159.9	0	112.2	A31 S33 R107 D108	A31-K77 PolarHBondContact O-NZ 3.44Å; S33-K77 PolarHBondContact O-N 3Å; S33-K77 PolarHBondContact OG-N 2.87Å; S33-K77 VanDerWaalsContact OG-N 3.09Å; K77-R107 WeakPolarHBondContact O-CA 3.42Å; K77-D108 WeakPolarHBondContact CE-OD2 3.04Å; K77-D108 PolarHBondContact O-N 3.13Å
78	N	97.8	Very high	94.8	Very high	3 Å²	3	51 Å²	51	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.1	-169.7	-51.6	-78.6	0	0	0	111.7	C30 A31 G32 S33 K34 A35 D108 H110	C30-N78 PolarHBondContact O-ND2 3.32Å; A31-N78 PolarHBondContact O-ND2 3.47Å; G32-N78 PolarHBondContact O-ND2 3.29Å; S33-N78 PolarHBondContact O-N 3.07Å; S33-N78 PolarHBondContact O-ND2 3.5Å; K34-N78 CarbonylContact C-O 3.6Å; K34-N78 WeakPolarHBondContact CA-O 3.38Å; K34-N78 HydrophobicContact CB-CB 4.49Å; K34-N78 HydrophobicContact CG-CB 4.29Å; A35-N78 PolarHBondContact N-O 3.43Å; N78-D108 WeakPolarHBondContact CA-O 3.33Å; N78-H110 PolarHBondContact OD1-NE2 3.35Å; N78-H110 VanDerWaalsContact OD1-NE2 3.17Å
79	I	97.8	Very high	95	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.4	167	-58.9	-58.7	0	0	0	108.4	A35 V37 L71 V76 F81 R107 D108 F109 H110	A35-I79 HydrophobicContact CB-CD1 3.87Å; V37-I79 HydrophobicContact CG2-CG2 3.86Å; L71-I79 HydrophobicContact CD1-CG2 3.85Å; V76-I79 HydrophobicContact CG2-CD1 3.78Å; I79-F81 HydrophobicContact CG2-CE2 4Å; I79-F81 HydrophobicContact CG2-CZ 4.04Å; I79-R107 HydrophobicContact CG1-CB 4.21Å; I79-D108 PolarHBondContact N-O 3.41Å; I79-F109 HydrophobicContact CB-CD1 3.75Å; I79-F109 HydrophobicContact CB-CE1 3.88Å; I79-F109 HydrophobicContact CG1-CD1 4.35Å; I79-F109 HydrophobicContact CG1-CE1 3.98Å; I79-F109 HydrophobicContact CG2-CD1 4.03Å; I79-F109 HydrophobicContact CG2-CE1 4.15Å; I79-F109 WeakPolarHBondContact O-CA 3.37Å; I79-H110 PolarHBondContact O-N 3.49Å
80	I	98.6	Very high	95.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.7	-177	-46.5	180	0	0	0	110.3	F26 L27 C30 K34 A35 I36 V37 F82 H110	F26-I80 HydrophobicContact CE1-CG2 3.74Å; F26-I80 HydrophobicContact CZ-CG2 3.85Å; L27-I80 HydrophobicContact CD2-CD1 4.28Å; C30-I80 HydrophobicContact CB-CD1 3.84Å; K34-I80 HydrophobicContact CB-CD1 4.26Å; K34-I80 HydrophobicContact CD-CD1 3.88Å; K34-I80 HydrophobicContact CG-CD1 4.23Å; A35-I80 PolarHBondContact O-N 3.14Å; I36-I80 CarbonylContact C-O 3.49Å; I36-I80 WeakPolarHBondContact CA-O 3.48Å; V37-I80 PolarHBondContact N-O 3.36Å; I80-F82 HydrophobicContact CB-CE1 4.35Å; I80-F82 HydrophobicContact CG2-CD1 3.82Å; I80-F82 HydrophobicContact CG2-CE1 3.56Å; I80-H110 WeakPolarHBondContact CA-O 2.93Å; I80-H110 HydrophobicContact CB-CB 4.46Å; I80-H110 HydrophobicContact CG1-CB 4.2Å; I80-H110 HydrophobicContact CG2-CB 4.08Å
81	F	98.7	Very high	95.6	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.4	175.1	-62.1	-84	0	0	0	110.4	V37 L66 L71 I79 I93 N96 I97 F109 H110 I111 L112 F134	V37-F81 HydrophobicContact CB-CD1 3.68Å; V37-F81 HydrophobicContact CB-CE1 3.96Å; V37-F81 HydrophobicContact CG1-CD1 3.83Å; V37-F81 HydrophobicContact CG1-CE1 3.93Å; V37-F81 HydrophobicContact CG2-CD1 4.29Å; V37-F81 HydrophobicContact CG2-CE1 4.14Å; V37-F81 WeakPolarHBondContact O-CA 3.36Å; L66-F81 HydrophobicContact CD1-CD1 4.01Å; L66-F81 HydrophobicContact CD1-CE1 4.08Å; L71-F81 HydrophobicContact CD1-CZ 4.28Å; I79-F81 HydrophobicContact CG2-CE2 4Å; I79-F81 HydrophobicContact CG2-CZ 4.04Å; F81-I93 HydrophobicContact CB-CD1 4.11Å; F81-I93 HydrophobicContact CD1-CD1 4.25Å; F81-I93 HydrophobicContact CD1-CG1 3.79Å; F81-I93 HydrophobicContact CD1-CG2 4.32Å; F81-I93 HydrophobicContact CD2-CG2 4.1Å; F81-I93 HydrophobicContact CE1-CG1 4.13Å; F81-I93 HydrophobicContact CE1-CG2 4.24Å; F81-I93 HydrophobicContact CE2-CG2 4.01Å; F81-I93 HydrophobicContact CG-CD1 4.21Å; F81-I93 HydrophobicContact CG-CG1 4.17Å; F81-I93 HydrophobicContact CG-CG2 4.24Å; F81-I93 HydrophobicContact CZ-CG2 4.08Å; F81-N96 HydrophobicContact CE1-CB 4.23Å; F81-N96 HydrophobicContact CZ-CB 4.12Å; F81-I97 HydrophobicContact CE2-CD1 4.35Å; F81-I97 HydrophobicContact CE2-CG1 4.3Å; F81-I97 HydrophobicContact CZ-CG1 4.37Å; F81-F109 AromaticContact CE2-CD1 3.89Å; F81-F109 HydrophobicContact CE2-CD1 3.89Å; F81-F109 HydrophobicContact CZ-CD1 4.48Å; F81-H110 WeakPolarHBondContact CD2-O 3.26Å; F81-H110 PolarHBondContact N-O 3.04Å; F81-I111 HydrophobicContact CB-CG1 4.26Å; F81-L112 PolarHBondContact O-N 3.07Å; F81-F134 AromaticContact CD2-CE1 3.86Å; F81-F134 HydrophobicContact CD2-CE1 3.86Å; F81-F134 HydrophobicContact CE2-CE1 4.1Å
82	F	98.6	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.7	170.7	-84.7	45.1	0	0	0	107.7	L23 F26 L27 I36 V37 W38 D39 F46 I80 L112	L23-F82 HydrophobicContact CD1-CE2 3.75Å; L23-F82 HydrophobicContact CD1-CZ 3.77Å; F26-F82 HydrophobicContact CD1-CZ 4.49Å; F26-F82 AromaticContact CE1-CE1 3.97Å; F26-F82 HydrophobicContact CE1-CE1 3.97Å; F26-F82 HydrophobicContact CE1-CZ 4.31Å; L27-F82 HydrophobicContact CD2-CZ 4.37Å; I36-F82 HydrophobicContact CD1-CE1 4.16Å; I36-F82 HydrophobicContact CD1-CZ 4.15Å; I36-F82 HydrophobicContact CG1-CE1 4.39Å; I36-F82 HydrophobicContact CG2-CB 4.17Å; I36-F82 HydrophobicContact CG2-CD1 3.63Å; I36-F82 HydrophobicContact CG2-CE1 4.1Å; I36-F82 HydrophobicContact CG2-CG 3.87Å; V37-F82 PolarHBondContact O-N 3.08Å; W38-F82 HydrophobicContact CD2-CB 4.31Å; W38-F82 HydrophobicContact CE3-CB 3.81Å; W38-F82 HydrophobicContact CE3-CD2 4.17Å; W38-F82 HydrophobicContact CE3-CG 4.34Å; W38-F82 AromaticContact CH2-CD2 3.47Å; W38-F82 HydrophobicContact CH2-CD2 3.47Å; W38-F82 VanDerWaalsContact CH2-CD2 3.47Å; W38-F82 AromaticContact CH2-CE2 3.88Å; W38-F82 HydrophobicContact CH2-CE2 3.88Å; W38-F82 HydrophobicContact CH2-CG 4.27Å; W38-F82 HydrophobicContact CZ2-CD2 4.18Å; W38-F82 HydrophobicContact CZ2-CE2 4.49Å; W38-F82 HydrophobicContact CZ3-CB 3.98Å; W38-F82 AromaticContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CD2 3.47Å; W38-F82 VanDerWaalsContact CZ3-CD2 3.47Å; W38-F82 HydrophobicContact CZ3-CE2 4.31Å; W38-F82 HydrophobicContact CZ3-CG 4.09Å; D39-F82 WeakPolarHBondContact CB-O 3.41Å; D39-F82 PolarHBondContact N-O 3.38Å; F46-F82 AromaticContact CE1-CD2 3.89Å; F46-F82 HydrophobicContact CE1-CD2 3.89Å; F46-F82 AromaticContact CE1-CE2 3.75Å; F46-F82 HydrophobicContact CE1-CE2 3.75Å; F46-F82 HydrophobicContact CE2-CD2 4.43Å; F46-F82 AromaticContact CZ-CD2 3.75Å; F46-F82 HydrophobicContact CZ-CD2 3.75Å; F46-F82 AromaticContact CZ-CE2 4Å; F46-F82 HydrophobicContact CZ-CE2 4Å; I80-F82 HydrophobicContact CB-CE1 4.35Å; I80-F82 HydrophobicContact CG2-CD1 3.82Å; I80-F82 HydrophobicContact CG2-CE1 3.56Å; F82-L112 HydrophobicContact CD1-CB 4.06Å; F82-L112 HydrophobicContact CD1-CD2 4.17Å; F82-L112 HydrophobicContact CD2-CD2 4.08Å; F82-L112 HydrophobicContact CE1-CB 4.14Å; F82-L112 HydrophobicContact CE1-CD2 3.73Å; F82-L112 HydrophobicContact CE2-CD2 3.64Å; F82-L112 HydrophobicContact CG-CD2 4.33Å; F82-L112 HydrophobicContact CZ-CD2 3.44Å; F82-L112 VanDerWaalsContact CZ-CD2 3.44Å
83	V	98.4	Very high	96.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.9	-165.1	74.5	0	0	0	0	112.5	D39 L66 L89 M90 I93 I111 L112 F113 V114	D39-V83 HydrophobicContact CB-CB 4.5Å; D39-V83 HydrophobicContact CB-CG2 4.18Å; L66-V83 HydrophobicContact CD2-CG2 4.26Å; V83-L89 HydrophobicContact CG2-CB 3.6Å; V83-L89 HydrophobicContact CG2-CD1 3.44Å; V83-L89 VanDerWaalsContact CG2-CD1 3.44Å; V83-L89 HydrophobicContact CG2-CG 4.12Å; V83-M90 HydrophobicContact CG1-CE 3.86Å; V83-M90 HydrophobicContact CG2-CE 3.97Å; V83-I93 HydrophobicContact CB-CD1 4.24Å; V83-I93 HydrophobicContact CG1-CD1 4.06Å; V83-I93 HydrophobicContact CG2-CD1 4.06Å; V83-I111 HydrophobicContact CG1-CD1 3.86Å; V83-I111 HydrophobicContact CG1-CG1 3.92Å; V83-L112 PolarHBondContact N-O 2.87Å; V83-L112 VanDerWaalsContact N-O 3.13Å; V83-F113 HydrophobicContact CG1-CD1 4.08Å; V83-F113 HydrophobicContact CG1-CE1 4.18Å; V83-F113 WeakPolarHBondContact O-CA 2.96Å; V83-V114 PolarHBondContact O-N 3.12Å
84	R	97.5	Very high	96.6	Very high	54 Å²	54	35.4 Å²	35.4	20%	0.204	17%	0.173	C	C	.	.			trans	-71.6	153.1	166.2	-71.9	173.5	-65.6	164.9	4.9	110.8	D39 Y41 L42 R86 L89 V114	D39-R84 IonicContact OD1-CZ 3.61Å; D39-R84 IonicContact OD1-NE 2.74Å; D39-R84 IonicContact OD1-NH2 3.56Å; D39-R84 PolarHBondContact OD1-NH2 2.94Å; D39-R84 WeakPolarHBondContact OD2-CB 3.3Å; D39-R84 WeakPolarHBondContact OD2-CG 3.42Å; D39-R84 IonicContact OD2-CZ 3.83Å; D39-R84 PolarHBondContact OD2-N 3.41Å; D39-R84 IonicContact OD2-NE 2.8Å; D39-R84 PolarHBondContact OD2-NE 3.35Å; D39-R84 IonicContact OD2-NH2 2.82Å; D39-R84 PolarHBondContact OD2-NH2 2.98Å; D39-R84 VanDerWaalsContact OD2-NH2 3.16Å; Y41-R84 VanDerWaalsContact CD1-CZ 3.49Å; Y41-R84 VanDerWaalsContact CD1-NH1 3.33Å; Y41-R84 VanDerWaalsContact CD2-NH1 3.34Å; L42-R84 HydrophobicContact CD1-CG 4.26Å; L42-R84 HydrophobicContact CD2-CG 3.8Å; L42-R84 HydrophobicContact CG-CG 4.08Å; R84-R86 HydrophobicContact CB-CG 4.21Å; R84-R86 PolarHBondContact O-N 3.14Å; R84-L89 HydrophobicContact CB-CD1 4.42Å; R84-V114 WeakPolarHBondContact CA-O 3.42Å
85	P	96.4	Very high	96.9	Very high	43 Å²	43	39.1 Å²	39.1	28%	0.279	19%	0.189	S	C	.	.	S	Bend	trans	-74.6	68	177.9	32	-37	0	0	0	112.2	F113 V114	P85-F113 HydrophobicContact CB-CD1 4.07Å; P85-V114 WeakPolarHBondContact CD-O 3.21Å
86	R	95.6	Very high	97.2	Very high	97 Å²	97	32 Å²	32	37%	0.366	15%	0.151	S	C	.	.			trans	-117.1	135.2	179	-63.7	-177.8	67.4	102.7	3.4	110.7	R84 E88 L89 M90	R84-R86 HydrophobicContact CB-CG 4.21Å; R84-R86 PolarHBondContact O-N 3.14Å; R86-E88 IonicContact CZ-OE1 3.55Å; R86-E88 IonicContact NE-OE1 3.44Å; R86-E88 PolarHBondContact NE-OE1 3.2Å; R86-E88 IonicContact NE-OE2 3.66Å; R86-E88 IonicContact NH2-OE1 2.77Å; R86-E88 PolarHBondContact NH2-OE1 3.08Å; R86-E88 PolarHBondContact O-N 2.94Å; R86-L89 HydrophobicContact CB-CD1 3.91Å; R86-L89 HydrophobicContact CB-CG 3.97Å; R86-L89 HydrophobicContact CG-CD1 4.4Å; R86-L89 PolarHBondContact O-N 3.4Å; R86-M90 PolarHBondContact O-N 3.02Å
87	L	96.3	Very high	97.2	Very high	83 Å²	83	32.4 Å²	32.4	44%	0.435	15%	0.153	S	C	.	.	H	α-helix	trans	-63.1	-40.9	-172.6	-68.4	175.8	0	0	0	112.4	L89 M90 L120 R124	L87-L89 PolarHBondContact O-N 3.31Å; L87-M90 WeakPolarHBondContact O-CB 3.03Å; L87-M90 PolarHBondContact O-N 3.44Å; L87-M90 VanDerWaalsContact O-N 3.09Å; L87-L120 HydrophobicContact CD2-CB 4.07Å; L87-R124 HydrophobicContact CD2-CB 3.94Å; L87-R124 HydrophobicContact CD2-CG 4.38Å
88	E	95.9	Very high	97	Very high	89 Å²	89	33.6 Å²	33.6	42%	0.416	16%	0.158	S	C	.	.	H	α-helix	trans	-63.1	-29.5	179.3	65.1	-88.3	-151.3	0	0	112.8	R86 M90 D91	R86-E88 IonicContact CZ-OE1 3.55Å; R86-E88 IonicContact NE-OE1 3.44Å; R86-E88 PolarHBondContact NE-OE1 3.2Å; R86-E88 IonicContact NE-OE2 3.66Å; R86-E88 IonicContact NH2-OE1 2.77Å; R86-E88 PolarHBondContact NH2-OE1 3.08Å; R86-E88 PolarHBondContact O-N 2.94Å; E88-M90 VanDerWaalsContact C-N 3.33Å; E88-D91 PolarHBondContact O-N 2.95Å
89	L	97.8	Very high	96.5	Very high	18 Å²	18	35.5 Å²	35.5	9%	0.094	17%	0.172	C	C	.	.	H	α-helix	trans	-74	-29.2	177.7	-56.9	179.8	0	0	0	111.2	D39 L66 V83 R84 R86 L87 D91 I92 I93	D39-L89 HydrophobicContact CB-CD1 4.36Å; D39-L89 WeakPolarHBondContact OD2-CD1 3.19Å; L66-L89 HydrophobicContact CD2-CB 4.27Å; L66-L89 HydrophobicContact CD2-CD2 4.18Å; V83-L89 HydrophobicContact CG2-CB 3.6Å; V83-L89 HydrophobicContact CG2-CD1 3.44Å; V83-L89 VanDerWaalsContact CG2-CD1 3.44Å; V83-L89 HydrophobicContact CG2-CG 4.12Å; R84-L89 HydrophobicContact CB-CD1 4.42Å; R86-L89 HydrophobicContact CB-CD1 3.91Å; R86-L89 HydrophobicContact CB-CG 3.97Å; R86-L89 HydrophobicContact CG-CD1 4.4Å; R86-L89 PolarHBondContact O-N 3.4Å; L87-L89 PolarHBondContact O-N 3.31Å; L89-D91 VanDerWaalsContact C-N 3.28Å; L89-D91 PolarHBondContact O-N 3.28Å; L89-I92 HydrophobicContact CD2-CD1 4.33Å; L89-I92 PolarHBondContact O-N 3.05Å; L89-I93 VanDerWaalsContact O-CG1 3.29Å; L89-I93 WeakPolarHBondContact O-CG1 3.37Å; L89-I93 PolarHBondContact O-N 2.82Å
90	M	98.4	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-34.6	177.1	-57	-56.7	100.8	0	0	111.4	V83 R86 L87 E88 I93 A94 I111 F113 C121 R124 L125	V83-M90 HydrophobicContact CG1-CE 3.86Å; V83-M90 HydrophobicContact CG2-CE 3.97Å; R86-M90 PolarHBondContact O-N 3.02Å; L87-M90 WeakPolarHBondContact O-CB 3.03Å; L87-M90 PolarHBondContact O-N 3.44Å; L87-M90 VanDerWaalsContact O-N 3.09Å; E88-M90 VanDerWaalsContact C-N 3.33Å; M90-I93 HydrophobicContact CE-CD1 3.9Å; M90-I93 PolarHBondContact O-N 3.14Å; M90-A94 WeakPolarHBondContact O-CB 3.44Å; M90-A94 PolarHBondContact O-N 3.28Å; M90-I111 HydrophobicContact CE-CD1 4.47Å; M90-I111 HydrophobicContact SD-CD1 4.29Å; M90-F113 HydrophobicContact CE-CE1 3.81Å; M90-F113 HydrophobicContact CE-CZ 4.37Å; M90-F113 HydrophobicContact SD-CE1 3.82Å; M90-F113 HydrophobicContact SD-CZ 3.85Å; M90-C121 HydrophobicContact CG-CB 3.82Å; M90-C121 HydrophobicContact SD-CB 3.79Å; M90-R124 HydrophobicContact CB-CB 4.3Å; M90-R124 HydrophobicContact CB-CG 3.93Å; M90-R124 HydrophobicContact CG-CB 4.5Å; M90-L125 HydrophobicContact CB-CD2 3.88Å; M90-L125 HydrophobicContact CB-CG 4.07Å; M90-L125 HydrophobicContact CG-CD2 4.41Å; M90-L125 HydrophobicContact CG-CG 4.18Å; M90-L125 HydrophobicContact SD-CD1 3.69Å; M90-L125 HydrophobicContact SD-CD2 4.01Å; M90-L125 HydrophobicContact SD-CG 3.76Å
91	D	97.7	Very high	94.5	Very high	41 Å²	41	39.1 Å²	39.1	22%	0.219	19%	0.19	C	C	.	.	H	α-helix	trans	-67.2	-39.7	176.6	-70.6	-26.2	0	0	0	111.8	E88 L89 A94 Q95 R124 Q128	E88-D91 PolarHBondContact O-N 2.95Å; L89-D91 VanDerWaalsContact C-N 3.28Å; L89-D91 PolarHBondContact O-N 3.28Å; D91-A94 PolarHBondContact O-N 3.21Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.26Å; D91-Q95 VanDerWaalsContact O-N 3.11Å; D91-R124 VanDerWaalsContact CG-NH2 3.27Å; D91-R124 IonicContact OD1-CZ 2.69Å; D91-R124 IonicContact OD1-NE 2.68Å; D91-R124 PolarHBondContact OD1-NE 3.2Å; D91-R124 IonicContact OD1-NH2 2.68Å; D91-R124 PolarHBondContact OD1-NH2 3.45Å; D91-R124 IonicContact OD2-CZ 3.21Å; D91-R124 IonicContact OD2-NE 3.79Å; D91-R124 PolarHBondContact OD2-NE 3.12Å; D91-R124 IonicContact OD2-NH2 3.72Å; D91-R124 PolarHBondContact OD2-NH2 3.18Å; D91-Q128 PolarHBondContact OD1-NE2 3.09Å
92	I	98.2	Very high	93	Very high	43 Å²	43	49 Å²	49	22%	0.221	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-45.3	175.2	-60.8	170.7	0	0	0	110.7	L66 K67 L89 A94 Q95 N96	L66-I92 HydrophobicContact CD1-CG2 3.78Å; L66-I92 HydrophobicContact CD2-CG2 4.39Å; L66-I92 HydrophobicContact CG-CB 4.42Å; L66-I92 HydrophobicContact CG-CG2 3.75Å; K67-I92 VanDerWaalsContact C-CG2 3.43Å; K67-I92 WeakPolarHBondContact O-CG2 3.49Å; L89-I92 HydrophobicContact CD2-CD1 4.33Å; L89-I92 PolarHBondContact O-N 3.05Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.46Å; I92-Q95 WeakPolarHBondContact O-CB 3.35Å; I92-Q95 PolarHBondContact O-N 3.49Å; I92-N96 PolarHBondContact O-N 3.17Å
93	I	98.1	Very high	91.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-43.4	177.8	-69.7	171.5	0	0	0	110.9	L66 F81 V83 L89 M90 Q95 N96 I97 I111 L125 F134	L66-I93 HydrophobicContact CD1-CG1 3.87Å; L66-I93 HydrophobicContact CD2-CG1 4.22Å; F81-I93 HydrophobicContact CB-CD1 4.11Å; F81-I93 HydrophobicContact CD1-CD1 4.25Å; F81-I93 HydrophobicContact CD1-CG1 3.79Å; F81-I93 HydrophobicContact CD1-CG2 4.32Å; F81-I93 HydrophobicContact CD2-CG2 4.1Å; F81-I93 HydrophobicContact CE1-CG1 4.13Å; F81-I93 HydrophobicContact CE1-CG2 4.24Å; F81-I93 HydrophobicContact CE2-CG2 4.01Å; F81-I93 HydrophobicContact CG-CD1 4.21Å; F81-I93 HydrophobicContact CG-CG1 4.17Å; F81-I93 HydrophobicContact CG-CG2 4.24Å; F81-I93 HydrophobicContact CZ-CG2 4.08Å; V83-I93 HydrophobicContact CB-CD1 4.24Å; V83-I93 HydrophobicContact CG1-CD1 4.06Å; V83-I93 HydrophobicContact CG2-CD1 4.06Å; L89-I93 VanDerWaalsContact O-CG1 3.29Å; L89-I93 WeakPolarHBondContact O-CG1 3.37Å; L89-I93 PolarHBondContact O-N 2.82Å; M90-I93 HydrophobicContact CE-CD1 3.9Å; M90-I93 PolarHBondContact O-N 3.14Å; I93-Q95 VanDerWaalsContact C-N 3.32Å; I93-Q95 PolarHBondContact O-N 3.49Å; I93-N96 WeakPolarHBondContact O-CB 3.3Å; I93-N96 PolarHBondContact O-N 3.29Å; I93-I97 HydrophobicContact CG2-CD1 3.99Å; I93-I97 WeakPolarHBondContact O-CG1 3.13Å; I93-I97 PolarHBondContact O-N 3.5Å; I93-I97 VanDerWaalsContact O-N 3.09Å; I93-I111 HydrophobicContact CD1-CD1 3.99Å; I93-L125 HydrophobicContact CG2-CD2 4.36Å; I93-F134 HydrophobicContact CG2-CE1 4.4Å; I93-F134 HydrophobicContact CG2-CZ 3.69Å
94	A	97.1	Very high	89.6	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-45	176.2	0	0	0	0	0	111.6	M90 D91 I92 N96 I97 F98 Q128 V130	M90-A94 WeakPolarHBondContact O-CB 3.44Å; M90-A94 PolarHBondContact O-N 3.28Å; D91-A94 PolarHBondContact O-N 3.21Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.46Å; A94-N96 VanDerWaalsContact C-N 3.34Å; A94-N96 PolarHBondContact O-N 3.47Å; A94-I97 PolarHBondContact O-N 3.21Å; A94-F98 HydrophobicContact CB-CD2 4.49Å; A94-F98 HydrophobicContact CB-CE2 4.3Å; A94-F98 WeakPolarHBondContact O-CD2 3.48Å; A94-F98 WeakPolarHBondContact O-CG 3.18Å; A94-F98 PolarHBondContact O-N 3.02Å; A94-Q128 HydrophobicContact CB-CB 3.76Å; A94-Q128 HydrophobicContact CB-CG 4.04Å; A94-V130 HydrophobicContact CB-CG1 4.12Å; A94-V130 HydrophobicContact CB-CG2 3.77Å
95	Q	95.9	Very high	88.2	Confident	84 Å²	84	62.4 Å²	62.4	39%	0.393	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-38.5	176.1	-70.2	173.9	6.3	0	0	112.8	S68 D91 I92 I93 I97 F98 S99	S68-Q95 PolarHBondContact OG-OE1 3.38Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.26Å; D91-Q95 VanDerWaalsContact O-N 3.11Å; I92-Q95 WeakPolarHBondContact O-CB 3.35Å; I92-Q95 PolarHBondContact O-N 3.49Å; I93-Q95 VanDerWaalsContact C-N 3.32Å; I93-Q95 PolarHBondContact O-N 3.49Å; Q95-I97 VanDerWaalsContact C-N 3.35Å; Q95-F98 PolarHBondContact O-N 2.86Å; Q95-S99 VanDerWaalsContact O-CB 3.25Å; Q95-S99 WeakPolarHBondContact O-CB 3.34Å; Q95-S99 PolarHBondContact O-N 3.45Å; Q95-S99 PolarHBondContact O-OG 2.49Å
96	N	95.8	Very high	87.5	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-60.4	-44.7	175.5	-69.2	160	0	0	0	111.9	L66 K67 G69 L71 F81 I92 I93 A94 S99	L66-N96 VanDerWaalsContact CD1-OD1 3.25Å; L66-N96 WeakPolarHBondContact CD1-OD1 3.32Å; K67-N96 PolarHBondContact O-ND2 3.09Å; G69-N96 WeakPolarHBondContact O-CA 2.98Å; G69-N96 PolarHBondContact O-ND2 2.92Å; L71-N96 HydrophobicContact CD1-CB 4.23Å; L71-N96 HydrophobicContact CD2-CB 4.19Å; L71-N96 HydrophobicContact CG-CB 3.94Å; F81-N96 HydrophobicContact CE1-CB 4.23Å; F81-N96 HydrophobicContact CZ-CB 4.12Å; I92-N96 PolarHBondContact O-N 3.17Å; I93-N96 WeakPolarHBondContact O-CB 3.3Å; I93-N96 PolarHBondContact O-N 3.29Å; A94-N96 VanDerWaalsContact C-N 3.34Å; A94-N96 PolarHBondContact O-N 3.47Å; N96-S99 PolarHBondContact O-N 3.02Å
97	I	94.3	Very high	87.2	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-68.6	-39	-179.7	-65.8	169.6	0	0	0	111	F81 I93 A94 Q95 S99 F109 V130 F134	F81-I97 HydrophobicContact CE2-CD1 4.35Å; F81-I97 HydrophobicContact CE2-CG1 4.3Å; F81-I97 HydrophobicContact CZ-CG1 4.37Å; I93-I97 HydrophobicContact CG2-CD1 3.99Å; I93-I97 WeakPolarHBondContact O-CG1 3.13Å; I93-I97 PolarHBondContact O-N 3.5Å; I93-I97 VanDerWaalsContact O-N 3.09Å; A94-I97 PolarHBondContact O-N 3.21Å; Q95-I97 VanDerWaalsContact C-N 3.35Å; I97-S99 VanDerWaalsContact C-N 3.35Å; I97-F109 HydrophobicContact CD1-CG 4.48Å; I97-F109 HydrophobicContact CG1-CD1 4.13Å; I97-F109 HydrophobicContact CG1-CD2 4.47Å; I97-F109 HydrophobicContact CG1-CE1 4.28Å; I97-F109 HydrophobicContact CG1-CG 4.26Å; I97-F109 HydrophobicContact CG2-CD2 4.44Å; I97-F109 HydrophobicContact CG2-CE2 4.3Å; I97-V130 HydrophobicContact CB-CG1 4.27Å; I97-V130 HydrophobicContact CD1-CB 4.15Å; I97-V130 HydrophobicContact CG2-CB 4.47Å; I97-V130 HydrophobicContact CG2-CG1 4.13Å; I97-F134 HydrophobicContact CD1-CE1 3.86Å; I97-F134 HydrophobicContact CD1-CE2 4.03Å; I97-F134 HydrophobicContact CD1-CZ 3.43Å; I97-F134 VanDerWaalsContact CD1-CZ 3.43Å
98	F	91.4	Very high	87.2	Confident	128 Å²	128	60.6 Å²	60.6	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-70.3	-30.1	177.3	-73.1	-51.4	0	0	0	114	A94 Q95 E100 Q128 V130	A94-F98 HydrophobicContact CB-CD2 4.49Å; A94-F98 HydrophobicContact CB-CE2 4.3Å; A94-F98 WeakPolarHBondContact O-CD2 3.48Å; A94-F98 WeakPolarHBondContact O-CG 3.18Å; A94-F98 PolarHBondContact O-N 3.02Å; Q95-F98 PolarHBondContact O-N 2.86Å; F98-E100 PolarHBondContact O-N 2.82Å; F98-Q128 WeakPolarHBondContact CE2-O 3.42Å; F98-Q128 WeakPolarHBondContact CZ-O 3.47Å; F98-V130 HydrophobicContact CD1-CG1 4.43Å; F98-V130 HydrophobicContact CD2-CG1 4.16Å; F98-V130 HydrophobicContact CE1-CG1 3.91Å; F98-V130 HydrophobicContact CE2-CG1 3.61Å; F98-V130 HydrophobicContact CZ-CG1 3.48Å; F98-V130 VanDerWaalsContact CZ-CG1 3.48Å
99	S	88.7	Confident	87.3	Confident	43 Å²	43	57.3 Å²	57.3	30%	0.301	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	0.8	-175.7	-57.7	0	0	0	0	113.7	R70 Q95 N96 I97	R70-S99 PolarHBondContact NE-O 3.37Å; Q95-S99 VanDerWaalsContact O-CB 3.25Å; Q95-S99 WeakPolarHBondContact O-CB 3.34Å; Q95-S99 PolarHBondContact O-N 3.45Å; Q95-S99 PolarHBondContact O-OG 2.49Å; N96-S99 PolarHBondContact O-N 3.02Å; I97-S99 VanDerWaalsContact C-N 3.35Å
100	E	82.7	Confident	87.3	Confident	42 Å²	42	56.7 Å²	56.7	20%	0.196	30%	0.299	C	S	.	.			trans	-64.9	145.6	179.4	-107.5	-90.9	-169.3	0	0	112.8	F98 K102 R107 F109	F98-E100 PolarHBondContact O-N 2.82Å; E100-K102 PolarHBondContact O-N 3.04Å; E100-R107 WeakPolarHBondContact OE1-CD 3.37Å; E100-R107 IonicContact OE1-CZ 2.81Å; E100-R107 IonicContact OE1-NE 3.78Å; E100-R107 IonicContact OE1-NH1 3.37Å; E100-R107 PolarHBondContact OE1-NH1 3.31Å; E100-F109 HydrophobicContact CG-CZ 3.91Å
101	D	69.9	Low	87.3	Confident	35 Å²	35	56.7 Å²	56.7	19%	0.187	30%	0.299	C	S	.	.			trans	-86.9	117.7	-170.8	-153.6	-37.4	0	0	0	109.4	R70 L103 H104	R70-D101 IonicContact CZ-OD2 3.42Å; R70-D101 IonicContact NH1-OD2 3.71Å; R70-D101 PolarHBondContact NH1-OD2 3.39Å; R70-D101 IonicContact NH2-OD2 2.86Å; R70-D101 PolarHBondContact NH2-OD2 3.02Å; D101-L103 PolarHBondContact O-N 3.29Å; D101-L103 VanDerWaalsContact OD1-CB 3.29Å; D101-L103 WeakPolarHBondContact OD1-CB 3.45Å; D101-L103 WeakPolarHBondContact OD1-CG 3.31Å; D101-L103 PolarHBondContact OD1-N 2.96Å; D101-H104 PolarHBondContact O-N 2.88Å; D101-H104 VanDerWaalsContact O-N 3.07Å
102	K	68.9	Low	87.3	Confident	210 Å²	210	54.8 Å²	54.8	91%	0.913	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.2	175	-63	-175.3	-179.5	-179.4	0	112.8	E100	E100-K102 PolarHBondContact O-N 3.04Å
103	L	59.6	Low	87.4	Confident	158 Å²	158	52.7 Å²	52.7	83%	0.827	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.7	177.7	-62.9	168.9	0	0	0	114	D101	D101-L103 PolarHBondContact O-N 3.29Å; D101-L103 VanDerWaalsContact OD1-CB 3.29Å; D101-L103 WeakPolarHBondContact OD1-CB 3.45Å; D101-L103 WeakPolarHBondContact OD1-CG 3.31Å; D101-L103 PolarHBondContact OD1-N 2.96Å
104	H	64.6	Low	87.3	Confident	84 Å²	84	53 Å²	53	39%	0.389	28%	0.279	S	S	.	.	S	Bend	trans	-93.2	159	176.2	-77	-54.2	0	0	0	111.9	D101 A106	D101-H104 PolarHBondContact O-N 2.88Å; D101-H104 VanDerWaalsContact O-N 3.07Å; H104-A106 PolarHBondContact O-N 2.9Å
105	P	69.6	Low	87.2	Confident	93 Å²	93	53.8 Å²	53.8	60%	0.604	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-53.8	137.1	171.7	-20.8	31.2	0	0	0	110.2	R107	P105-R107 PolarHBondContact O-N 3.22Å
106	A	80.9	Confident	87.1	Confident	102 Å²	102	54.9 Å²	54.9	84%	0.843	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-57.2	125.7	177.6	0	0	0	0	0	109.9	H104	H104-A106 PolarHBondContact O-N 2.9Å
107	R	89.4	Confident	87.1	Confident	25 Å²	25	58.9 Å²	58.9	9%	0.094	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-97.5	143.4	175.8	-56.9	-172.5	-174.1	137.5	-0.6	110	A74 K77 I79 E100 P105	A74-R107 VanDerWaalsContact O-CZ 3.25Å; A74-R107 PolarHBondContact O-NE 2.75Å; A74-R107 PolarHBondContact O-NH2 3Å; K77-R107 WeakPolarHBondContact O-CA 3.42Å; I79-R107 HydrophobicContact CG1-CB 4.21Å; E100-R107 WeakPolarHBondContact OE1-CD 3.37Å; E100-R107 IonicContact OE1-CZ 2.81Å; E100-R107 IonicContact OE1-NE 3.78Å; E100-R107 IonicContact OE1-NH1 3.37Å; E100-R107 PolarHBondContact OE1-NH1 3.31Å; P105-R107 PolarHBondContact O-N 3.22Å
108	D	95.7	Very high	87.2	Confident	59 Å²	59	59.5 Å²	59.5	32%	0.316	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.7	173	-69	-32.3	0	0	0	109.4	K77 N78 I79 V135	K77-D108 WeakPolarHBondContact CE-OD2 3.04Å; K77-D108 PolarHBondContact O-N 3.13Å; N78-D108 WeakPolarHBondContact CA-O 3.33Å; I79-D108 PolarHBondContact N-O 3.41Å; D108-V135 HydrophobicContact CB-CG2 4.02Å
109	F	97.5	Very high	87.5	Confident	20 Å²	20	60.7 Å²	60.7	9%	0.088	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.3	176.7	-63.2	-73	0	0	0	111.4	I79 F81 I97 E100 F134 V135	I79-F109 HydrophobicContact CB-CD1 3.75Å; I79-F109 HydrophobicContact CB-CE1 3.88Å; I79-F109 HydrophobicContact CG1-CD1 4.35Å; I79-F109 HydrophobicContact CG1-CE1 3.98Å; I79-F109 HydrophobicContact CG2-CD1 4.03Å; I79-F109 HydrophobicContact CG2-CE1 4.15Å; I79-F109 WeakPolarHBondContact O-CA 3.37Å; F81-F109 AromaticContact CE2-CD1 3.89Å; F81-F109 HydrophobicContact CE2-CD1 3.89Å; F81-F109 HydrophobicContact CZ-CD1 4.48Å; I97-F109 HydrophobicContact CD1-CG 4.48Å; I97-F109 HydrophobicContact CG1-CD1 4.13Å; I97-F109 HydrophobicContact CG1-CD2 4.47Å; I97-F109 HydrophobicContact CG1-CE1 4.28Å; I97-F109 HydrophobicContact CG1-CG 4.26Å; I97-F109 HydrophobicContact CG2-CD2 4.44Å; I97-F109 HydrophobicContact CG2-CE2 4.3Å; E100-F109 HydrophobicContact CG-CZ 3.91Å; F109-F134 HydrophobicContact CB-CD1 3.79Å; F109-F134 HydrophobicContact CB-CE1 4.06Å; F109-F134 CarbonylContact O-C 3.5Å; F109-F134 VanDerWaalsContact O-CA 3.31Å; F109-F134 WeakPolarHBondContact O-CA 3.41Å; F109-V135 PolarHBondContact O-N 2.69Å
110	H	98.6	Very high	87.9	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.019	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.3	174.1	-47.2	-87.3	0	0	0	109.9	N78 I79 I80 F81 N136	N78-H110 PolarHBondContact OD1-NE2 3.35Å; N78-H110 VanDerWaalsContact OD1-NE2 3.17Å; I79-H110 PolarHBondContact O-N 3.49Å; I80-H110 WeakPolarHBondContact CA-O 2.93Å; I80-H110 HydrophobicContact CB-CB 4.46Å; I80-H110 HydrophobicContact CG1-CB 4.2Å; I80-H110 HydrophobicContact CG2-CB 4.08Å; F81-H110 WeakPolarHBondContact CD2-O 3.26Å; F81-H110 PolarHBondContact N-O 3.04Å; H110-N136 WeakPolarHBondContact CA-O 3.42Å; H110-N136 HydrophobicContact CB-CB 4.29Å; H110-N136 WeakPolarHBondContact ND1-CB 3.3Å; H110-N136 PolarHBondContact ND1-ND2 3.22Å; H110-N136 VanDerWaalsContact ND1-ND2 3.13Å
111	I	98.6	Very high	88.7	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.8	174.7	-174	168.1	0	0	0	109.8	F81 V83 M90 I93 F113 L125 F134 N136 I137 D138	F81-I111 HydrophobicContact CB-CG1 4.26Å; V83-I111 HydrophobicContact CG1-CD1 3.86Å; V83-I111 HydrophobicContact CG1-CG1 3.92Å; M90-I111 HydrophobicContact CE-CD1 4.47Å; M90-I111 HydrophobicContact SD-CD1 4.29Å; I93-I111 HydrophobicContact CD1-CD1 3.99Å; I111-F113 HydrophobicContact CD1-CD2 4.33Å; I111-F113 HydrophobicContact CD1-CE1 4.05Å; I111-F113 HydrophobicContact CD1-CE2 3.62Å; I111-F113 HydrophobicContact CD1-CZ 3.46Å; I111-F113 VanDerWaalsContact CD1-CZ 3.46Å; I111-F113 HydrophobicContact CG1-CD2 4.14Å; I111-F113 HydrophobicContact CG1-CE2 3.87Å; I111-F113 HydrophobicContact CG1-CZ 4.17Å; I111-F113 HydrophobicContact CG2-CE2 4.07Å; I111-L125 HydrophobicContact CD1-CD1 4.06Å; I111-F134 HydrophobicContact CB-CD1 4.03Å; I111-F134 HydrophobicContact CB-CE1 3.88Å; I111-F134 HydrophobicContact CB-CZ 4.37Å; I111-F134 HydrophobicContact CG2-CD1 3.96Å; I111-F134 HydrophobicContact CG2-CD2 4.43Å; I111-F134 HydrophobicContact CG2-CE1 4.18Å; I111-F134 HydrophobicContact CG2-CG 4.09Å; I111-N136 PolarHBondContact N-O 3.09Å; I111-I137 HydrophobicContact CG2-CB 3.96Å; I111-I137 HydrophobicContact CG2-CG1 3.8Å; I111-I137 HydrophobicContact CG2-CG2 3.76Å; I111-D138 PolarHBondContact O-N 3.24Å
112	L	98.6	Very high	90	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.5	174.1	-170.5	67.7	0	0	0	108.7	F26 F81 F82 V83 D138 Y140	F26-L112 HydrophobicContact CD1-CD1 3.9Å; F26-L112 HydrophobicContact CD1-CD2 3.69Å; F26-L112 HydrophobicContact CD1-CG 4.24Å; F26-L112 HydrophobicContact CD2-CD1 3.79Å; F26-L112 HydrophobicContact CE1-CB 3.77Å; F26-L112 HydrophobicContact CE1-CD1 3.89Å; F26-L112 HydrophobicContact CE1-CD2 3.72Å; F26-L112 HydrophobicContact CE1-CG 4Å; F26-L112 HydrophobicContact CE2-CB 4.49Å; F26-L112 HydrophobicContact CE2-CD1 3.8Å; F26-L112 HydrophobicContact CG-CD1 3.84Å; F26-L112 HydrophobicContact CG-CD2 4.37Å; F26-L112 HydrophobicContact CZ-CB 3.77Å; F26-L112 HydrophobicContact CZ-CD1 3.85Å; F26-L112 HydrophobicContact CZ-CD2 4.44Å; F26-L112 HydrophobicContact CZ-CG 4.23Å; F81-L112 PolarHBondContact O-N 3.07Å; F82-L112 HydrophobicContact CD1-CB 4.06Å; F82-L112 HydrophobicContact CD1-CD2 4.17Å; F82-L112 HydrophobicContact CD2-CD2 4.08Å; F82-L112 HydrophobicContact CE1-CB 4.14Å; F82-L112 HydrophobicContact CE1-CD2 3.73Å; F82-L112 HydrophobicContact CE2-CD2 3.64Å; F82-L112 HydrophobicContact CG-CD2 4.33Å; F82-L112 HydrophobicContact CZ-CD2 3.44Å; F82-L112 VanDerWaalsContact CZ-CD2 3.44Å; V83-L112 PolarHBondContact N-O 2.87Å; V83-L112 VanDerWaalsContact N-O 3.13Å; L112-D138 HydrophobicContact CD1-CB 3.96Å; L112-Y140 HydrophobicContact CD2-CG 4.34Å
113	F	98.5	Very high	91.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	134.8	175	-73.5	-84.6	0	0	0	111.1	V83 P85 M90 I111 R116 R117 C121 L125 I137 D138 E139 Y140	V83-F113 HydrophobicContact CG1-CD1 4.08Å; V83-F113 HydrophobicContact CG1-CE1 4.18Å; V83-F113 WeakPolarHBondContact O-CA 2.96Å; P85-F113 HydrophobicContact CB-CD1 4.07Å; M90-F113 HydrophobicContact CE-CE1 3.81Å; M90-F113 HydrophobicContact CE-CZ 4.37Å; M90-F113 HydrophobicContact SD-CE1 3.82Å; M90-F113 HydrophobicContact SD-CZ 3.85Å; I111-F113 HydrophobicContact CD1-CD2 4.33Å; I111-F113 HydrophobicContact CD1-CE1 4.05Å; I111-F113 HydrophobicContact CD1-CE2 3.62Å; I111-F113 HydrophobicContact CD1-CZ 3.46Å; I111-F113 VanDerWaalsContact CD1-CZ 3.46Å; I111-F113 HydrophobicContact CG1-CD2 4.14Å; I111-F113 HydrophobicContact CG1-CE2 3.87Å; I111-F113 HydrophobicContact CG1-CZ 4.17Å; I111-F113 HydrophobicContact CG2-CE2 4.07Å; F113-R116 WeakPolarHBondContact CB-O 3.47Å; F113-R117 HydrophobicContact CB-CG 4.15Å; F113-R117 HydrophobicContact CD2-CB 4.37Å; F113-R117 HydrophobicContact CD2-CG 3.58Å; F113-R117 HydrophobicContact CE2-CG 4.3Å; F113-R117 HydrophobicContact CG-CG 4.13Å; F113-C121 HydrophobicContact CE1-CB 3.81Å; F113-C121 HydrophobicContact CZ-CB 4.02Å; F113-L125 HydrophobicContact CZ-CD1 4.31Å; F113-I137 HydrophobicContact CD2-CG2 4.41Å; F113-I137 HydrophobicContact CE2-CG2 4Å; F113-D138 PolarHBondContact N-O 3.15Å; F113-E139 WeakPolarHBondContact O-CA 3.42Å; F113-Y140 PolarHBondContact O-N 2.93Å
114	V	97.4	Very high	93.2	Very high	5 Å²	5	53 Å²	53	3%	0.03	27%	0.272	C	S	.	.	S	Bend	trans	-123.8	122.5	178.4	-171.8	0	0	0	0	110.5	L42 F46 V83 R84 P85 Y140 L142	L42-V114 HydrophobicContact CD1-CB 3.96Å; L42-V114 HydrophobicContact CD1-CG2 4.04Å; L42-V114 HydrophobicContact CD2-CB 4.29Å; L42-V114 HydrophobicContact CD2-CG1 4.2Å; F46-V114 HydrophobicContact CE2-CB 4.48Å; F46-V114 HydrophobicContact CE2-CG1 4.03Å; F46-V114 HydrophobicContact CE2-CG2 3.96Å; F46-V114 HydrophobicContact CZ-CG1 4.41Å; F46-V114 HydrophobicContact CZ-CG2 3.89Å; V83-V114 PolarHBondContact O-N 3.12Å; R84-V114 WeakPolarHBondContact CA-O 3.42Å; P85-V114 WeakPolarHBondContact CD-O 3.21Å; V114-Y140 HydrophobicContact CG1-CD1 4.46Å; V114-Y140 HydrophobicContact CG2-CD1 4.26Å; V114-L142 HydrophobicContact CG1-CB 4.05Å
115	P	94.8	Very high	94.9	Very high	19 Å²	19	49 Å²	49	12%	0.123	25%	0.254	C	S	.	.	S	Bend	cis	-84.8	-13.2	-1.7	34.2	-36.5	0	0	0	114.1	Y140 I141 D143 H174	P115-Y140 CarbonylContact C-O 3.52Å; P115-Y140 WeakPolarHBondContact CA-O 3.3Å; P115-Y140 CarbonylContact O-C 3.54Å; P115-Y140 VanDerWaalsContact O-C 3.31Å; P115-Y140 VanDerWaalsContact O-O 3.07Å; P115-I141 WeakPolarHBondContact O-CA 3.28Å; P115-D143 WeakPolarHBondContact CB-OD1 3.38Å; P115-D143 WeakPolarHBondContact CG-OD1 3.35Å; P115-H174 VanDerWaalsContact CG-CE1 3.46Å; P115-H174 WeakPolarHBondContact CG-CE1 3.37Å; P115-H174 WeakPolarHBondContact CG-ND1 2.67Å
116	R	94.4	Very high	96.2	Very high	106 Å²	106	51.7 Å²	51.7	40%	0.4	26%	0.256	S	S	.	.			trans	-147.9	150.5	-170.5	-164.2	-167.2	158.2	118.1	3.2	112.5	F113 E139 Y173	F113-R116 WeakPolarHBondContact CB-O 3.47Å; R116-E139 WeakPolarHBondContact CG-OE2 3.46Å; R116-Y173 PolarHBondContact NH1-OH 3.25Å; R116-Y173 VanDerWaalsContact NH1-OH 3.08Å
117	R	95.1	Very high	97	Very high	86 Å²	86	52.4 Å²	52.4	33%	0.325	24%	0.242	S	C	.	.			trans	-61.3	145	166.7	-73.6	169.8	66.2	167.7	-2.9	111.8	F113 E122 I137 E139	F113-R117 HydrophobicContact CB-CG 4.15Å; F113-R117 HydrophobicContact CD2-CB 4.37Å; F113-R117 HydrophobicContact CD2-CG 3.58Å; F113-R117 HydrophobicContact CE2-CG 4.3Å; F113-R117 HydrophobicContact CG-CG 4.13Å; R117-E122 IonicContact CZ-OE1 3.69Å; R117-E122 IonicContact CZ-OE2 3.71Å; R117-E122 IonicContact NE-OE1 3.69Å; R117-E122 PolarHBondContact NE-OE1 2.83Å; R117-E122 IonicContact NH2-OE1 3.42Å; R117-E122 PolarHBondContact NH2-OE1 2.89Å; R117-E122 IonicContact NH2-OE2 3.24Å; R117-E122 PolarHBondContact NH2-OE2 3.47Å; R117-I137 PolarHBondContact NH1-O 3.1Å; R117-E139 HydrophobicContact CG-CB 4.09Å; R117-E139 PolarHBondContact N-OE2 3.37Å
118	S	96.1	Very high	97.4	Very high	30 Å²	30	54 Å²	54	21%	0.21	25%	0.251	C	S	.	.			trans	-120.9	127.7	174.2	169	0	0	0	0	110.3	L120 C121 E122	S118-L120 PolarHBondContact O-N 3.16Å; S118-L120 PolarHBondContact OG-N 3.33Å; S118-C121 WeakPolarHBondContact O-CB 3.41Å; S118-C121 PolarHBondContact O-N 3.14Å; S118-E122 PolarHBondContact O-N 3.39Å
119	M	97.3	Very high	97.4	Very high	152 Å²	152	54 Å²	54	75%	0.749	26%	0.264	S	S	*	.	H	α-helix	trans	-58.7	-34.1	176.7	-62.1	-63	-77.3	0	0	111.6	Q123	M119-Q123 WeakPolarHBondContact O-CB 3.47Å; M119-Q123 PolarHBondContact O-N 3.11Å
120	L	98	Very high	97.4	Very high	111 Å²	111	53 Å²	53	58%	0.581	26%	0.26	S	S	*	.	H	α-helix	trans	-67.7	-39.5	177.1	-61.7	175.7	0	0	0	111.6	L87 S118 Q123 R124	L87-L120 HydrophobicContact CD2-CB 4.07Å; S118-L120 PolarHBondContact O-N 3.16Å; S118-L120 PolarHBondContact OG-N 3.33Å; L120-Q123 PolarHBondContact O-N 2.79Å; L120-R124 WeakPolarHBondContact O-CB 3.49Å; L120-R124 PolarHBondContact O-N 3.23Å
121	C	98.3	Very high	97.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-67.6	-42.2	176.4	-72.3	0	0	0	0	111.9	M90 F113 S118 R124 L125	M90-C121 HydrophobicContact CG-CB 3.82Å; M90-C121 HydrophobicContact SD-CB 3.79Å; F113-C121 HydrophobicContact CE1-CB 3.81Å; F113-C121 HydrophobicContact CZ-CB 4.02Å; S118-C121 WeakPolarHBondContact O-CB 3.41Å; S118-C121 PolarHBondContact O-N 3.14Å; C121-R124 WeakPolarHBondContact O-CB 3.49Å; C121-R124 PolarHBondContact O-N 2.97Å; C121-L125 WeakPolarHBondContact O-CG 3.4Å; C121-L125 PolarHBondContact O-N 3.39Å
122	E	98.1	Very high	97.2	Very high	32 Å²	32	58.6 Å²	58.6	15%	0.15	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-41.7	175.8	-71.2	178.6	-145.7	0	0	112	R117 S118 R124 L125 K126	R117-E122 IonicContact CZ-OE1 3.69Å; R117-E122 IonicContact CZ-OE2 3.71Å; R117-E122 IonicContact NE-OE1 3.69Å; R117-E122 PolarHBondContact NE-OE1 2.83Å; R117-E122 IonicContact NH2-OE1 3.42Å; R117-E122 PolarHBondContact NH2-OE1 2.89Å; R117-E122 IonicContact NH2-OE2 3.24Å; R117-E122 PolarHBondContact NH2-OE2 3.47Å; S118-E122 PolarHBondContact O-N 3.39Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 3.1Å; E122-L125 PolarHBondContact O-N 3.36Å; E122-K126 WeakPolarHBondContact O-CB 3.45Å; E122-K126 PolarHBondContact O-N 3.44Å
123	Q	98.4	Very high	97	Very high	105 Å²	105	61.1 Å²	61.1	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-43.5	172.9	-179.6	175.8	-15.9	0	0	110.9	M119 L120 K126 E127	M119-Q123 WeakPolarHBondContact O-CB 3.47Å; M119-Q123 PolarHBondContact O-N 3.11Å; L120-Q123 PolarHBondContact O-N 2.79Å; Q123-K126 WeakPolarHBondContact O-CB 3.31Å; Q123-K126 PolarHBondContact O-N 3.22Å; Q123-K126 VanDerWaalsContact O-N 3.14Å; Q123-E127 HydrophobicContact CG-CG 4.44Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.49Å; Q123-E127 PolarHBondContact NE2-OE1 2.83Å; Q123-E127 WeakPolarHBondContact O-CG 3.32Å; Q123-E127 PolarHBondContact O-N 3.16Å
124	R	98.3	Very high	96.9	Very high	77 Å²	77	62 Å²	62	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-45.9	177.4	-174.4	57.3	175.1	170.2	-2.7	112.4	L87 M90 D91 L120 C121 E122 K126 E127 Q128	L87-R124 HydrophobicContact CD2-CB 3.94Å; L87-R124 HydrophobicContact CD2-CG 4.38Å; M90-R124 HydrophobicContact CB-CB 4.3Å; M90-R124 HydrophobicContact CB-CG 3.93Å; M90-R124 HydrophobicContact CG-CB 4.5Å; D91-R124 VanDerWaalsContact CG-NH2 3.27Å; D91-R124 IonicContact OD1-CZ 2.69Å; D91-R124 IonicContact OD1-NE 2.68Å; D91-R124 PolarHBondContact OD1-NE 3.2Å; D91-R124 IonicContact OD1-NH2 2.68Å; D91-R124 PolarHBondContact OD1-NH2 3.45Å; D91-R124 IonicContact OD2-CZ 3.21Å; D91-R124 IonicContact OD2-NE 3.79Å; D91-R124 PolarHBondContact OD2-NE 3.12Å; D91-R124 IonicContact OD2-NH2 3.72Å; D91-R124 PolarHBondContact OD2-NH2 3.18Å; L120-R124 WeakPolarHBondContact O-CB 3.49Å; L120-R124 PolarHBondContact O-N 3.23Å; C121-R124 WeakPolarHBondContact O-CB 3.49Å; C121-R124 PolarHBondContact O-N 2.97Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 3.1Å; R124-K126 VanDerWaalsContact C-N 3.25Å; R124-K126 PolarHBondContact O-N 3.26Å; R124-E127 IonicContact NH1-OE2 3.25Å; R124-E127 PolarHBondContact O-N 3.26Å; R124-Q128 VanDerWaalsContact CZ-NE2 3.3Å; R124-Q128 VanDerWaalsContact NH2-NE2 3.17Å; R124-Q128 WeakPolarHBondContact O-CB 3.38Å; R124-Q128 VanDerWaalsContact O-CG 3.29Å; R124-Q128 WeakPolarHBondContact O-CG 3.36Å; R124-Q128 PolarHBondContact O-N 3.14Å
125	L	98.3	Very high	96.9	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-33.5	174.6	-70.4	171.1	0	0	0	112.3	M90 I93 I111 F113 C121 E122 G129 V130 L131 F134	M90-L125 HydrophobicContact CB-CD2 3.88Å; M90-L125 HydrophobicContact CB-CG 4.07Å; M90-L125 HydrophobicContact CG-CD2 4.41Å; M90-L125 HydrophobicContact CG-CG 4.18Å; M90-L125 HydrophobicContact SD-CD1 3.69Å; M90-L125 HydrophobicContact SD-CD2 4.01Å; M90-L125 HydrophobicContact SD-CG 3.76Å; I93-L125 HydrophobicContact CG2-CD2 4.36Å; I111-L125 HydrophobicContact CD1-CD1 4.06Å; F113-L125 HydrophobicContact CZ-CD1 4.31Å; C121-L125 WeakPolarHBondContact O-CG 3.4Å; C121-L125 PolarHBondContact O-N 3.39Å; E122-L125 PolarHBondContact O-N 3.36Å; L125-G129 PolarHBondContact O-N 3.24Å; L125-V130 HydrophobicContact CB-CG2 4.33Å; L125-V130 HydrophobicContact CD2-CG2 3.78Å; L125-V130 PolarHBondContact O-N 3.14Å; L125-V130 VanDerWaalsContact O-N 3.07Å; L125-L131 HydrophobicContact CB-CB 4.17Å; L125-L131 HydrophobicContact CB-CD1 4.02Å; L125-L131 HydrophobicContact CD1-CD1 4.32Å; L125-L131 PolarHBondContact O-N 3.43Å; L125-F134 HydrophobicContact CD1-CE2 4.05Å; L125-F134 HydrophobicContact CD2-CE2 4.27Å
126	K	98.2	Very high	97	Very high	150 Å²	150	66 Å²	66	65%	0.652	35%	0.353	S	S	*	.	H	α-helix	trans	-68.8	-45.3	175.6	-171.4	-179.7	177.8	-179	0	111.7	E122 Q123 R124 Q128 G129 L131	E122-K126 WeakPolarHBondContact O-CB 3.45Å; E122-K126 PolarHBondContact O-N 3.44Å; Q123-K126 WeakPolarHBondContact O-CB 3.31Å; Q123-K126 PolarHBondContact O-N 3.22Å; Q123-K126 VanDerWaalsContact O-N 3.14Å; R124-K126 VanDerWaalsContact C-N 3.25Å; R124-K126 PolarHBondContact O-N 3.26Å; K126-Q128 VanDerWaalsContact C-N 3.28Å; K126-Q128 PolarHBondContact O-N 3.3Å; K126-G129 WeakPolarHBondContact O-CA 3.42Å; K126-G129 PolarHBondContact O-N 3.07Å; K126-L131 HydrophobicContact CB-CB 4.21Å; K126-L131 HydrophobicContact CB-CD2 3.86Å; K126-L131 HydrophobicContact CG-CD2 4.28Å
127	E	97.9	Very high	97.2	Very high	117 Å²	117	62.5 Å²	62.5	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-36.7	175.6	-72.3	168.9	-174.1	0	0	111.6	Q123 R124 G129	Q123-E127 HydrophobicContact CG-CG 4.44Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.49Å; Q123-E127 PolarHBondContact NE2-OE1 2.83Å; Q123-E127 WeakPolarHBondContact O-CG 3.32Å; Q123-E127 PolarHBondContact O-N 3.16Å; R124-E127 IonicContact NH1-OE2 3.25Å; R124-E127 PolarHBondContact O-N 3.26Å; E127-G129 PolarHBondContact O-N 3.47Å
128	Q	96.9	Very high	97.3	Very high	60 Å²	60	60.3 Å²	60.3	28%	0.28	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-3.3	171.6	-66.4	-65.5	-6.4	0	0	113.4	D91 A94 F98 R124 K126 V130	D91-Q128 PolarHBondContact OD1-NE2 3.09Å; A94-Q128 HydrophobicContact CB-CB 3.76Å; A94-Q128 HydrophobicContact CB-CG 4.04Å; F98-Q128 WeakPolarHBondContact CE2-O 3.42Å; F98-Q128 WeakPolarHBondContact CZ-O 3.47Å; R124-Q128 VanDerWaalsContact CZ-NE2 3.3Å; R124-Q128 VanDerWaalsContact NH2-NE2 3.17Å; R124-Q128 WeakPolarHBondContact O-CB 3.38Å; R124-Q128 VanDerWaalsContact O-CG 3.29Å; R124-Q128 WeakPolarHBondContact O-CG 3.36Å; R124-Q128 PolarHBondContact O-N 3.14Å; K126-Q128 VanDerWaalsContact C-N 3.28Å; K126-Q128 PolarHBondContact O-N 3.3Å; Q128-V130 VanDerWaalsContact C-N 3.28Å; Q128-V130 HydrophobicContact CB-CG2 4.25Å; Q128-V130 PolarHBondContact O-N 3.43Å
129	G	96.9	Very high	97.3	Very high	57 Å²	57	62.3 Å²	62.3	59%	0.588	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	7.9	175.6	0	0	0	0	0	116.1	L125 K126 E127	L125-G129 PolarHBondContact O-N 3.24Å; K126-G129 WeakPolarHBondContact O-CA 3.42Å; K126-G129 PolarHBondContact O-N 3.07Å; E127-G129 PolarHBondContact O-N 3.47Å
130	V	96.4	Very high	97.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	31%	0.308	C	S	.	.			trans	-105	-8.6	-175.4	-63.4	0	0	0	0	114.2	A94 I97 F98 L125 Q128 G132 S133	A94-V130 HydrophobicContact CB-CG1 4.12Å; A94-V130 HydrophobicContact CB-CG2 3.77Å; I97-V130 HydrophobicContact CB-CG1 4.27Å; I97-V130 HydrophobicContact CD1-CB 4.15Å; I97-V130 HydrophobicContact CG2-CB 4.47Å; I97-V130 HydrophobicContact CG2-CG1 4.13Å; F98-V130 HydrophobicContact CD1-CG1 4.43Å; F98-V130 HydrophobicContact CD2-CG1 4.16Å; F98-V130 HydrophobicContact CE1-CG1 3.91Å; F98-V130 HydrophobicContact CE2-CG1 3.61Å; F98-V130 HydrophobicContact CZ-CG1 3.48Å; F98-V130 VanDerWaalsContact CZ-CG1 3.48Å; L125-V130 HydrophobicContact CB-CG2 4.33Å; L125-V130 HydrophobicContact CD2-CG2 3.78Å; L125-V130 PolarHBondContact O-N 3.14Å; L125-V130 VanDerWaalsContact O-N 3.07Å; Q128-V130 VanDerWaalsContact C-N 3.28Å; Q128-V130 HydrophobicContact CB-CG2 4.25Å; Q128-V130 PolarHBondContact O-N 3.43Å; V130-G132 PolarHBondContact O-N 3.08Å; V130-S133 VanDerWaalsContact O-CB 3.28Å; V130-S133 WeakPolarHBondContact O-CB 3.49Å; V130-S133 PolarHBondContact O-N 3.03Å; V130-S133 PolarHBondContact O-OG 2.54Å
131	L	96.8	Very high	97.1	Very high	40 Å²	40	53.7 Å²	53.7	21%	0.209	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-55.7	-37.9	-178.3	-174.3	69.4	0	0	0	112.7	L125 K126 S133 I137	L125-L131 HydrophobicContact CB-CB 4.17Å; L125-L131 HydrophobicContact CB-CD1 4.02Å; L125-L131 HydrophobicContact CD1-CD1 4.32Å; L125-L131 PolarHBondContact O-N 3.43Å; K126-L131 HydrophobicContact CB-CB 4.21Å; K126-L131 HydrophobicContact CB-CD2 3.86Å; K126-L131 HydrophobicContact CG-CD2 4.28Å; L131-S133 PolarHBondContact O-N 3.41Å; L131-I137 HydrophobicContact CD1-CD1 3.47Å; L131-I137 VanDerWaalsContact CD1-CD1 3.47Å; L131-I137 HydrophobicContact CG-CD1 4.26Å
132	G	95.7	Very high	97	Very high	81 Å²	81	54.4 Å²	54.4	84%	0.835	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-73.1	-8.7	179	0	0	0	0	0	114.8	V130	V130-G132 PolarHBondContact O-N 3.08Å
133	S	94.9	Very high	96.9	Very high	54 Å²	54	53.3 Å²	53.3	38%	0.378	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-82.2	-14.7	178.3	-53.8	0	0	0	0	112.9	V130 L131	V130-S133 VanDerWaalsContact O-CB 3.28Å; V130-S133 WeakPolarHBondContact O-CB 3.49Å; V130-S133 PolarHBondContact O-N 3.03Å; V130-S133 PolarHBondContact O-OG 2.54Å; L131-S133 PolarHBondContact O-N 3.41Å
134	F	97.2	Very high	96.9	Very high	19 Å²	19	48.7 Å²	48.7	8%	0.083	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.2	179.8	-64.4	-74.2	0	0	0	111.6	F81 I93 I97 F109 I111 L125 I137	F81-F134 AromaticContact CD2-CE1 3.86Å; F81-F134 HydrophobicContact CD2-CE1 3.86Å; F81-F134 HydrophobicContact CE2-CE1 4.1Å; I93-F134 HydrophobicContact CG2-CE1 4.4Å; I93-F134 HydrophobicContact CG2-CZ 3.69Å; I97-F134 HydrophobicContact CD1-CE1 3.86Å; I97-F134 HydrophobicContact CD1-CE2 4.03Å; I97-F134 HydrophobicContact CD1-CZ 3.43Å; I97-F134 VanDerWaalsContact CD1-CZ 3.43Å; F109-F134 HydrophobicContact CB-CD1 3.79Å; F109-F134 HydrophobicContact CB-CE1 4.06Å; F109-F134 CarbonylContact O-C 3.5Å; F109-F134 VanDerWaalsContact O-CA 3.31Å; F109-F134 WeakPolarHBondContact O-CA 3.41Å; I111-F134 HydrophobicContact CB-CD1 4.03Å; I111-F134 HydrophobicContact CB-CE1 3.88Å; I111-F134 HydrophobicContact CB-CZ 4.37Å; I111-F134 HydrophobicContact CG2-CD1 3.96Å; I111-F134 HydrophobicContact CG2-CD2 4.43Å; I111-F134 HydrophobicContact CG2-CE1 4.18Å; I111-F134 HydrophobicContact CG2-CG 4.09Å; L125-F134 HydrophobicContact CD1-CE2 4.05Å; L125-F134 HydrophobicContact CD2-CE2 4.27Å; F134-I137 HydrophobicContact CB-CD1 4.1Å; F134-I137 HydrophobicContact CB-CG1 3.66Å; F134-I137 HydrophobicContact CD2-CD1 4.42Å; F134-I137 HydrophobicContact CG-CG1 4.27Å
135	V	97.6	Very high	96.9	Very high	84 Å²	84	45.2 Å²	45.2	51%	0.509	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-43.6	171	178.7	0	0	0	0	110.4	D108 F109	D108-V135 HydrophobicContact CB-CG2 4.02Å; F109-V135 PolarHBondContact O-N 2.69Å
136	N	97.2	Very high	96.9	Very high	23 Å²	23	45.5 Å²	45.5	12%	0.123	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133	176.9	-64.4	-45.7	0	0	0	110.8	K29 H110 I111	K29-N136 WeakPolarHBondContact CE-OD1 3.34Å; H110-N136 WeakPolarHBondContact CA-O 3.42Å; H110-N136 HydrophobicContact CB-CB 4.29Å; H110-N136 WeakPolarHBondContact ND1-CB 3.3Å; H110-N136 PolarHBondContact ND1-ND2 3.22Å; H110-N136 VanDerWaalsContact ND1-ND2 3.13Å; I111-N136 PolarHBondContact N-O 3.09Å
137	I	97.7	Very high	96.9	Very high	32 Å²	32	39 Å²	39	16%	0.164	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	96.8	171	-54	-179.9	0	0	0	106.7	I111 F113 R117 L131 F134	I111-I137 HydrophobicContact CG2-CB 3.96Å; I111-I137 HydrophobicContact CG2-CG1 3.8Å; I111-I137 HydrophobicContact CG2-CG2 3.76Å; F113-I137 HydrophobicContact CD2-CG2 4.41Å; F113-I137 HydrophobicContact CE2-CG2 4Å; R117-I137 PolarHBondContact NH1-O 3.1Å; L131-I137 HydrophobicContact CD1-CD1 3.47Å; L131-I137 VanDerWaalsContact CD1-CD1 3.47Å; L131-I137 HydrophobicContact CG-CD1 4.26Å; F134-I137 HydrophobicContact CB-CD1 4.1Å; F134-I137 HydrophobicContact CB-CG1 3.66Å; F134-I137 HydrophobicContact CD2-CD1 4.42Å; F134-I137 HydrophobicContact CG-CG1 4.27Å
138	D	97.4	Very high	96.8	Very high	40 Å²	40	33.7 Å²	33.7	21%	0.214	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	171.5	-174.9	-70.7	-49.9	0	0	0	111.4	F26 K29 I111 L112 F113	F26-D138 HydrophobicContact CD2-CB 3.89Å; F26-D138 HydrophobicContact CE2-CB 3.78Å; F26-D138 WeakPolarHBondContact CE2-OD2 3.29Å; K29-D138 VanDerWaalsContact NZ-CG 3.3Å; K29-D138 IonicContact NZ-OD1 2.77Å; K29-D138 PolarHBondContact NZ-OD1 3.31Å; K29-D138 VanDerWaalsContact NZ-OD1 3.09Å; K29-D138 IonicContact NZ-OD2 3.44Å; K29-D138 PolarHBondContact NZ-OD2 3.47Å; I111-D138 PolarHBondContact O-N 3.24Å; L112-D138 HydrophobicContact CD1-CB 3.96Å; F113-D138 PolarHBondContact N-O 3.15Å
139	E	96.6	Very high	96.8	Very high	73 Å²	73	31.1 Å²	31.1	34%	0.341	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.2	171.1	51.8	-170.5	-146.3	0	0	110.9	F113 R116 R117	F113-E139 WeakPolarHBondContact O-CA 3.42Å; R116-E139 WeakPolarHBondContact CG-OE2 3.46Å; R117-E139 HydrophobicContact CG-CB 4.09Å; R117-E139 PolarHBondContact N-OE2 3.37Å
140	Y	97.1	Very high	96.9	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.02	18%	0.181	C	C	.	.			trans	-127.5	108	175.2	172.3	-120.2	0	0	0	109.6	A19 E22 L23 F46 L112 F113 V114 P115 L142	A19-Y140 WeakPolarHBondContact CB-OH 3.31Å; A19-Y140 VanDerWaalsContact O-CE2 3.26Å; A19-Y140 WeakPolarHBondContact O-CE2 3.29Å; A19-Y140 PolarHBondContact O-OH 3.1Å; E22-Y140 HydrophobicContact CB-CD2 4.17Å; E22-Y140 HydrophobicContact CB-CE2 3.97Å; L23-Y140 HydrophobicContact CB-CE2 4.02Å; F46-Y140 HydrophobicContact CE1-CD1 4.06Å; F46-Y140 AromaticContact CE1-CE1 3.63Å; F46-Y140 HydrophobicContact CE1-CE1 3.63Å; F46-Y140 AromaticContact CZ-CD1 3.63Å; F46-Y140 HydrophobicContact CZ-CD1 3.63Å; F46-Y140 AromaticContact CZ-CE1 3.59Å; F46-Y140 HydrophobicContact CZ-CE1 3.59Å; L112-Y140 HydrophobicContact CD2-CG 4.34Å; F113-Y140 PolarHBondContact O-N 2.93Å; V114-Y140 HydrophobicContact CG1-CD1 4.46Å; V114-Y140 HydrophobicContact CG2-CD1 4.26Å; P115-Y140 CarbonylContact C-O 3.52Å; P115-Y140 WeakPolarHBondContact CA-O 3.3Å; P115-Y140 CarbonylContact O-C 3.54Å; P115-Y140 VanDerWaalsContact O-C 3.31Å; P115-Y140 VanDerWaalsContact O-O 3.07Å; Y140-L142 VanDerWaalsContact C-N 3.28Å; Y140-L142 HydrophobicContact CD1-CB 3.92Å; Y140-L142 HydrophobicContact CE1-CB 3.67Å; Y140-L142 HydrophobicContact CE1-CD1 4.33Å; Y140-L142 HydrophobicContact CE1-CD2 3.91Å; Y140-L142 HydrophobicContact CE1-CG 4.17Å; Y140-L142 PolarHBondContact O-N 2.95Å
141	I	94.1	Very high	97	Very high	77 Å²	77	30 Å²	30	40%	0.395	18%	0.183	S	C	.	.			trans	-77.7	79.2	-170.1	-53.6	175.4	0	0	0	109.9	P115 D143	P115-I141 WeakPolarHBondContact O-CA 3.28Å; I141-D143 WeakPolarHBondContact CG2-OD2 3.5Å
142	L	95.4	Very high	97.1	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.079	17%	0.173	C	C	.	.			trans	-103.7	69.5	174.2	-170.3	65.8	0	0	0	110.6	A19 F46 I49 V114 Y140 I145	A19-L142 HydrophobicContact CB-CD1 4.14Å; F46-L142 HydrophobicContact CD2-CD2 4.28Å; F46-L142 HydrophobicContact CE2-CD2 4.13Å; F46-L142 HydrophobicContact CZ-CD2 4.35Å; I49-L142 HydrophobicContact CD1-CD1 3.83Å; I49-L142 HydrophobicContact CG1-CD1 3.74Å; I49-L142 HydrophobicContact CG1-CD2 3.97Å; V114-L142 HydrophobicContact CG1-CB 4.05Å; Y140-L142 VanDerWaalsContact C-N 3.28Å; Y140-L142 HydrophobicContact CD1-CB 3.92Å; Y140-L142 HydrophobicContact CE1-CB 3.67Å; Y140-L142 HydrophobicContact CE1-CD1 4.33Å; Y140-L142 HydrophobicContact CE1-CD2 3.91Å; Y140-L142 HydrophobicContact CE1-CG 4.17Å; Y140-L142 PolarHBondContact O-N 2.95Å; L142-I145 HydrophobicContact CD1-CG1 4.04Å; L142-I145 HydrophobicContact CD2-CD1 3.98Å; L142-I145 HydrophobicContact CD2-CG1 4.14Å; L142-I145 HydrophobicContact CG-CD1 4.18Å; L142-I145 HydrophobicContact CG-CG1 3.89Å
143	D	96.2	Very high	97.2	Very high	9 Å²	9	24.3 Å²	24.3	5%	0.048	13%	0.133	C	C	.	.			trans	-79.4	-49.9	179.5	-67.1	-46.6	0	0	0	112.1	P115 I141 M154 H174 K177 G178	P115-D143 WeakPolarHBondContact CB-OD1 3.38Å; P115-D143 WeakPolarHBondContact CG-OD1 3.35Å; I141-D143 WeakPolarHBondContact CG2-OD2 3.5Å; D143-M154 WeakPolarHBondContact O-CA 3.49Å; D143-M154 WeakPolarHBondContact O-CB 3.42Å; D143-M154 VanDerWaalsContact O-CG 3.29Å; D143-M154 WeakPolarHBondContact O-CG 3.41Å; D143-H174 IonicContact OD1-CG 3.3Å; D143-H174 IonicContact OD1-ND1 2.96Å; D143-H174 PolarHBondContact OD1-ND1 3.03Å; D143-K177 VanDerWaalsContact OD2-CB 3.3Å; D143-K177 WeakPolarHBondContact OD2-CB 3.37Å; D143-G178 PolarHBondContact OD2-N 2.95Å
144	L	98.3	Very high	97.4	Very high	9 Å²	9	22.4 Å²	22.4	5%	0.047	12%	0.119	C	C	.	.			trans	-116.6	123.2	-177.7	-72.4	171.1	0	0	0	111.6	L15 L152 M154 L182 F548	L15-L144 HydrophobicContact CD2-CB 4.38Å; L144-L152 HydrophobicContact CB-CD2 4.49Å; L144-L152 HydrophobicContact CD2-CB 4.32Å; L144-M154 HydrophobicContact CD2-CG 3.68Å; L144-L182 HydrophobicContact CD1-CD1 3.71Å; L144-L182 HydrophobicContact CD1-CG 3.94Å; L144-F548 HydrophobicContact CD1-CE2 4.38Å; L144-F548 HydrophobicContact CD2-CE2 3.89Å; L144-F548 HydrophobicContact CD2-CZ 4.1Å
145	I	98.4	Very high	97.4	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.9	-176.5	-58.1	172.2	0	0	0	109.2	P45 L48 I49 L142 F147 L152 S153	P45-I145 HydrophobicContact CB-CD1 3.53Å; L48-I145 HydrophobicContact CB-CG2 3.66Å; L48-I145 HydrophobicContact CD1-CG2 3.76Å; L48-I145 HydrophobicContact CG-CG2 4.37Å; I49-I145 HydrophobicContact CD1-CG2 4.07Å; I49-I145 HydrophobicContact CG1-CG2 4.45Å; L142-I145 HydrophobicContact CD1-CG1 4.04Å; L142-I145 HydrophobicContact CD2-CD1 3.98Å; L142-I145 HydrophobicContact CD2-CG1 4.14Å; L142-I145 HydrophobicContact CG-CD1 4.18Å; L142-I145 HydrophobicContact CG-CG1 3.89Å; I145-F147 HydrophobicContact CB-CE2 4.36Å; I145-F147 HydrophobicContact CG2-CD2 4.35Å; I145-F147 HydrophobicContact CG2-CE2 4.22Å; I145-F147 PolarHBondContact O-N 2.88Å; I145-L152 WeakPolarHBondContact O-CA 3.41Å; I145-S153 WeakPolarHBondContact CB-O 3.47Å; I145-S153 PolarHBondContact N-O 2.91Å; I145-S153 PolarHBondContact O-N 3.21Å
146	P	98.1	Very high	97.3	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.032	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	116.3	171.1	-20.4	33.1	0	0	0	111.7	L5 L12 L15 R16 L152	L5-P146 HydrophobicContact CD1-CB 4.17Å; L5-P146 HydrophobicContact CD2-CB 3.98Å; L12-P146 HydrophobicContact CB-CB 4.2Å; L12-P146 HydrophobicContact CB-CG 4.37Å; L15-P146 HydrophobicContact CB-CG 4.5Å; L15-P146 HydrophobicContact CD2-CG 4.05Å; L15-P146 HydrophobicContact CG-CG 4.35Å; R16-P146 HydrophobicContact CB-CG 4.32Å; P146-L152 HydrophobicContact CB-CD2 4.17Å; P146-L152 HydrophobicContact CG-CD2 3.89Å
147	F	97.6	Very high	97.1	Very high	15 Å²	15	23.1 Å²	23.1	7%	0.066	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-38.9	172.5	-90.8	-112.5	0	0	0	111.6	L48 I145 L151 E155 L581	L48-F147 HydrophobicContact CD1-CD1 4.04Å; L48-F147 HydrophobicContact CD1-CD2 3.65Å; L48-F147 HydrophobicContact CD1-CE1 3.78Å; L48-F147 HydrophobicContact CD1-CE2 3.32Å; L48-F147 HydrophobicContact CD1-CG 3.98Å; L48-F147 HydrophobicContact CD1-CZ 3.4Å; I145-F147 HydrophobicContact CB-CE2 4.36Å; I145-F147 HydrophobicContact CG2-CD2 4.35Å; I145-F147 HydrophobicContact CG2-CE2 4.22Å; I145-F147 PolarHBondContact O-N 2.88Å; F147-L151 HydrophobicContact CB-CB 4.25Å; F147-L151 HydrophobicContact CB-CD2 3.83Å; F147-L151 HydrophobicContact CB-CG 3.91Å; F147-L151 PolarHBondContact N-O 2.81Å; F147-E155 HydrophobicContact CE2-CG 3.6Å; F147-E155 HydrophobicContact CZ-CG 3.51Å; F147-L581 HydrophobicContact CD1-CD1 3.6Å; F147-L581 HydrophobicContact CE1-CD1 3.54Å; F147-L581 HydrophobicContact CG-CD1 4.24Å; F147-L581 HydrophobicContact CZ-CD1 4.15Å
148	D	97.6	Very high	96.9	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.027	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	177.4	177.8	-147.4	-33.2	0	0	0	109.8	H4 L12 D150 L151 S291 R300	H4-D148 IonicContact CD2-OD1 3.87Å; L12-D148 VanDerWaalsContact CD1-O 3.25Å; L12-D148 WeakPolarHBondContact CD1-O 3.45Å; D148-D150 PolarHBondContact O-N 2.89Å; D148-D150 VanDerWaalsContact O-N 3.1Å; D148-L151 HydrophobicContact CB-CB 4.14Å; D148-L151 PolarHBondContact N-O 2.98Å; D148-L151 PolarHBondContact O-N 3.13Å; D148-S291 WeakPolarHBondContact OD1-CB 3.43Å; D148-S291 PolarHBondContact OD1-OG 3.29Å; D148-S291 WeakPolarHBondContact OD2-CB 3.29Å; D148-S291 PolarHBondContact OD2-N 3.07Å; D148-S291 PolarHBondContact OD2-OG 3.28Å; D148-R300 IonicContact OD2-CZ 3.41Å; D148-R300 IonicContact OD2-NH1 2.68Å; D148-R300 PolarHBondContact OD2-NH1 3.42Å; D148-R300 IonicContact OD2-NH2 3.65Å
149	G	96.6	Very high	96.8	Very high	6 Å²	6	21.1 Å²	21.1	6%	0.062	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.9	-179.6	0	0	0	0	0	115.1	H4 L12	H4-G149 VanDerWaalsContact O-CA 3.31Å; H4-G149 WeakPolarHBondContact O-CA 3.36Å; H4-G149 PolarHBondContact O-N 3.27Å; L12-G149 WeakPolarHBondContact CD1-O 3.37Å
150	D	97.5	Very high	96.9	Very high	28 Å²	28	17.9 Å²	17.9	15%	0.15	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	8.8	179.8	66	-14.7	0	0	0	113.6	D148 R562 I575 I576	D148-D150 PolarHBondContact O-N 2.89Å; D148-D150 VanDerWaalsContact O-N 3.1Å; D150-R562 IonicContact OD1-CZ 2.89Å; D150-R562 IonicContact OD1-NE 3.09Å; D150-R562 IonicContact OD1-NH2 2.69Å; D150-R562 PolarHBondContact OD1-NH2 3.47Å; D150-R562 WeakPolarHBondContact OD2-CG 3.49Å; D150-R562 IonicContact OD2-CZ 2.98Å; D150-R562 IonicContact OD2-NE 3.17Å; D150-R562 PolarHBondContact OD2-NE 3.1Å; D150-R562 IonicContact OD2-NH2 3.83Å; D150-I575 HydrophobicContact CB-CD1 4.09Å; D150-I576 HydrophobicContact CB-CD1 4.47Å; D150-I576 VanDerWaalsContact O-CD1 3.31Å; D150-I576 WeakPolarHBondContact O-CD1 3.26Å; D150-I576 PolarHBondContact O-N 3.14Å
151	L	98.5	Very high	96.9	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.037	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	124.5	-170.5	-176.7	62.3	0	0	0	112.9	F147 D148 I558 I576 L581	F147-L151 HydrophobicContact CB-CB 4.25Å; F147-L151 HydrophobicContact CB-CD2 3.83Å; F147-L151 HydrophobicContact CB-CG 3.91Å; F147-L151 PolarHBondContact N-O 2.81Å; D148-L151 HydrophobicContact CB-CB 4.14Å; D148-L151 PolarHBondContact N-O 2.98Å; D148-L151 PolarHBondContact O-N 3.13Å; L151-I558 HydrophobicContact CD1-CD1 3.83Å; L151-I558 HydrophobicContact CD1-CG1 4.36Å; L151-I558 HydrophobicContact CD2-CD1 4.01Å; L151-I576 CarbonylContact C-O 3.54Å; L151-I576 WeakPolarHBondContact CA-O 3.15Å; L151-I576 HydrophobicContact CD1-CB 3.81Å; L151-I576 HydrophobicContact CD1-CG2 3.81Å; L151-L581 HydrophobicContact CD1-CD2 4.27Å; L151-L581 HydrophobicContact CD2-CD1 4.28Å; L151-L581 HydrophobicContact CD2-CD2 4.15Å
152	L	98.8	Very high	97	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138	174.1	-65.1	161.3	0	0	0	109.6	L12 L15 L144 I145 P146 L182 I576 A577 T578	L12-L152 HydrophobicContact CD1-CD2 4.25Å; L12-L152 HydrophobicContact CD1-CG 4.28Å; L12-L152 HydrophobicContact CD2-CD1 4.28Å; L12-L152 HydrophobicContact CD2-CD2 4.31Å; L15-L152 HydrophobicContact CD2-CD2 3.64Å; L144-L152 HydrophobicContact CB-CD2 4.49Å; L144-L152 HydrophobicContact CD2-CB 4.32Å; I145-L152 WeakPolarHBondContact O-CA 3.41Å; P146-L152 HydrophobicContact CB-CD2 4.17Å; P146-L152 HydrophobicContact CG-CD2 3.89Å; L152-L182 HydrophobicContact CD1-CD1 4.13Å; L152-L182 HydrophobicContact CD1-CD2 4.3Å; L152-I576 PolarHBondContact N-O 3.31Å; L152-A577 HydrophobicContact CB-CB 4.2Å; L152-A577 CarbonylContact O-C 3.44Å; L152-A577 VanDerWaalsContact O-CA 3.27Å; L152-A577 WeakPolarHBondContact O-CA 3.38Å; L152-T578 PolarHBondContact O-N 3.44Å
153	S	98.8	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.6	173.2	178.6	0	0	0	0	109.9	I145 E155 T578	I145-S153 WeakPolarHBondContact CB-O 3.47Å; I145-S153 PolarHBondContact N-O 2.91Å; I145-S153 PolarHBondContact O-N 3.21Å; S153-E155 VanDerWaalsContact C-N 3.27Å; S153-E155 PolarHBondContact OG-N 3.25Å; S153-E155 PolarHBondContact OG-OE1 3.3Å; S153-T578 CarbonylContact C-O 3.57Å; S153-T578 WeakPolarHBondContact CA-O 3.33Å
154	M	98.6	Very high	97.2	Very high	15 Å²	15	18.3 Å²	18.3	7%	0.074	9%	0.089	C	C	.	.			trans	-79.3	-15.4	167.4	-55	174.3	61.4	0	0	112.6	D143 L144 Y156 H174 T175 F548 T578 T579	D143-M154 WeakPolarHBondContact O-CA 3.49Å; D143-M154 WeakPolarHBondContact O-CB 3.42Å; D143-M154 VanDerWaalsContact O-CG 3.29Å; D143-M154 WeakPolarHBondContact O-CG 3.41Å; L144-M154 HydrophobicContact CD2-CG 3.68Å; M154-Y156 HydrophobicContact CE-CD2 4.32Å; M154-Y156 PolarHBondContact O-N 3.01Å; M154-H174 HydrophobicContact CE-CB 3.46Å; M154-H174 VanDerWaalsContact CE-CB 3.46Å; M154-T175 PolarHBondContact SD-OG1 3.03Å; M154-F548 HydrophobicContact CG-CZ 4.27Å; M154-F548 HydrophobicContact SD-CE1 4.47Å; M154-F548 HydrophobicContact SD-CZ 3.85Å; M154-T578 PolarHBondContact N-O 3.41Å; M154-T579 HydrophobicContact SD-CG2 4.03Å
155	E	97.6	Very high	97.1	Very high	9 Å²	9	19 Å²	19	4%	0.042	9%	0.093	C	C	.	.			trans	48.5	49.6	-171.7	-69	-65.2	95.4	0	0	111.6	Y41 P45 F147 S153 N258 T579 K580	Y41-E155 WeakPolarHBondContact CE1-O 3.35Å; Y41-E155 PolarHBondContact OH-O 3.43Å; P45-E155 HydrophobicContact CB-CB 4.26Å; P45-E155 HydrophobicContact CB-CG 4.36Å; P45-E155 HydrophobicContact CG-CB 3.89Å; P45-E155 HydrophobicContact CG-CG 4.19Å; F147-E155 HydrophobicContact CE2-CG 3.6Å; F147-E155 HydrophobicContact CZ-CG 3.51Å; S153-E155 VanDerWaalsContact C-N 3.27Å; S153-E155 PolarHBondContact OG-N 3.25Å; S153-E155 PolarHBondContact OG-OE1 3.3Å; E155-N258 PolarHBondContact OE2-ND2 2.75Å; E155-T579 PolarHBondContact N-O 3.4Å; E155-K580 VanDerWaalsContact CD-NZ 3.25Å; E155-K580 IonicContact OE1-NZ 3.17Å; E155-K580 PolarHBondContact OE1-NZ 2.98Å; E155-K580 IonicContact OE2-NZ 2.81Å; E155-K580 PolarHBondContact OE2-NZ 3.43Å
156	Y	95.8	Very high	97	Very high	53 Å²	53	23.3 Å²	23.3	21%	0.208	11%	0.113	C	C	.	.			trans	-110.8	88.1	-178	-156.6	-48.6	0	0	0	109.6	M154 S158 A159 E162 T579	M154-Y156 HydrophobicContact CE-CD2 4.32Å; M154-Y156 PolarHBondContact O-N 3.01Å; Y156-S158 VanDerWaalsContact CE1-OG 3.3Å; Y156-S158 WeakPolarHBondContact CE1-OG 3.34Å; Y156-S158 PolarHBondContact O-N 3.41Å; Y156-A159 HydrophobicContact CD1-CB 3.97Å; Y156-A159 HydrophobicContact CG-CB 4.31Å; Y156-A159 WeakPolarHBondContact O-CB 3.22Å; Y156-A159 PolarHBondContact O-N 2.82Å; Y156-E162 WeakPolarHBondContact CE1-OE1 3.21Å; Y156-E162 VanDerWaalsContact CE1-OE2 3.24Å; Y156-E162 WeakPolarHBondContact CE1-OE2 3.2Å; Y156-E162 PolarHBondContact OH-OE1 2.83Å; Y156-E162 PolarHBondContact OH-OE2 2.85Å; Y156-T579 PolarHBondContact N-O 2.72Å
157	E	92.4	Very high	96.8	Very high	78 Å²	78	29.4 Å²	29.4	36%	0.364	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-42.9	-172.4	-175.4	-175.6	177.1	0	0	114	Y41 A159	Y41-E157 HydrophobicContact CE2-CB 4.28Å; Y41-E157 PolarHBondContact OH-N 2.72Å; Y41-E157 VanDerWaalsContact OH-N 3.12Å; E157-A159 VanDerWaalsContact C-N 3.28Å; E157-A159 PolarHBondContact O-N 2.82Å
158	S	92.7	Very high	96.8	Very high	28 Å²	28	31.7 Å²	31.7	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.1	-176.1	48.3	0	0	0	0	114.3	Y156 F160 R161 E162	Y156-S158 VanDerWaalsContact CE1-OG 3.3Å; Y156-S158 WeakPolarHBondContact CE1-OG 3.34Å; Y156-S158 PolarHBondContact O-N 3.41Å; S158-F160 VanDerWaalsContact C-N 3.31Å; S158-F160 PolarHBondContact O-N 2.85Å; S158-R161 PolarHBondContact O-N 3.09Å; S158-E162 VanDerWaalsContact CB-OE1 3.29Å; S158-E162 WeakPolarHBondContact CB-OE1 3.34Å; S158-E162 WeakPolarHBondContact O-CB 3.31Å; S158-E162 WeakPolarHBondContact O-CG 3.25Å; S158-E162 PolarHBondContact O-N 3.27Å; S158-E162 PolarHBondContact OG-OE1 2.92Å
159	A	96.8	Very high	96.7	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-56.3	-41.3	-172	0	0	0	0	0	113.4	Y156 E157 C163 T579	Y156-A159 HydrophobicContact CD1-CB 3.97Å; Y156-A159 HydrophobicContact CG-CB 4.31Å; Y156-A159 WeakPolarHBondContact O-CB 3.22Å; Y156-A159 PolarHBondContact O-N 2.82Å; E157-A159 VanDerWaalsContact C-N 3.28Å; E157-A159 PolarHBondContact O-N 2.82Å; A159-C163 WeakPolarHBondContact O-CB 3.35Å; A159-C163 PolarHBondContact O-N 2.88Å; A159-C163 VanDerWaalsContact O-N 3.17Å; A159-C163 PolarHBondContact O-SG 2.97Å; A159-C163 VanDerWaalsContact O-SG 3.37Å; A159-T579 HydrophobicContact CB-CG2 4.09Å
160	F	98.1	Very high	96.8	Very high	4 Å²	4	38 Å²	38	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-47.9	176.1	-175.8	-79.6	0	0	0	111.3	S158 C163 Y164 L165 R232 L236 A450 W587 L591	S158-F160 VanDerWaalsContact C-N 3.31Å; S158-F160 PolarHBondContact O-N 2.85Å; F160-C163 PolarHBondContact O-N 3.2Å; F160-Y164 HydrophobicContact CB-CD2 4.41Å; F160-Y164 AromaticContact CD1-CD2 3.94Å; F160-Y164 HydrophobicContact CD1-CD2 3.94Å; F160-Y164 AromaticContact CD2-CD2 3.44Å; F160-Y164 HydrophobicContact CD2-CD2 3.44Å; F160-Y164 VanDerWaalsContact CD2-CD2 3.44Å; F160-Y164 AromaticContact CD2-CE2 3.54Å; F160-Y164 HydrophobicContact CD2-CE2 3.54Å; F160-Y164 AromaticContact CE1-CD2 3.97Å; F160-Y164 HydrophobicContact CE1-CD2 3.97Å; F160-Y164 HydrophobicContact CE1-CG 4.41Å; F160-Y164 AromaticContact CE2-CD2 3.46Å; F160-Y164 HydrophobicContact CE2-CD2 3.46Å; F160-Y164 VanDerWaalsContact CE2-CD2 3.46Å; F160-Y164 AromaticContact CE2-CE2 3.65Å; F160-Y164 HydrophobicContact CE2-CE2 3.65Å; F160-Y164 HydrophobicContact CE2-CG 4.3Å; F160-Y164 AromaticContact CG-CD2 3.68Å; F160-Y164 HydrophobicContact CG-CD2 3.68Å; F160-Y164 HydrophobicContact CG-CE2 4.16Å; F160-Y164 AromaticContact CZ-CD2 3.73Å; F160-Y164 HydrophobicContact CZ-CD2 3.73Å; F160-Y164 HydrophobicContact CZ-CE2 4.35Å; F160-Y164 HydrophobicContact CZ-CG 4.2Å; F160-Y164 WeakPolarHBondContact O-CB 3.29Å; F160-Y164 WeakPolarHBondContact O-CD2 3.37Å; F160-Y164 PolarHBondContact O-N 2.93Å; F160-L165 HydrophobicContact CE1-CD1 4.41Å; F160-R232 HydrophobicContact CD2-CB 3.87Å; F160-R232 HydrophobicContact CD2-CG 3.88Å; F160-R232 HydrophobicContact CE2-CB 3.95Å; F160-R232 HydrophobicContact CE2-CG 3.85Å; F160-L236 HydrophobicContact CE2-CD2 4.34Å; F160-L236 HydrophobicContact CZ-CD2 4.14Å; F160-A450 HydrophobicContact CE1-CB 4.14Å; F160-W587 AromaticContact CD1-NE1 3.48Å; F160-W587 HydrophobicContact CD2-CZ2 4.31Å; F160-W587 AromaticContact CD2-NE1 3.62Å; F160-W587 HydrophobicContact CE1-CZ2 4.17Å; F160-W587 AromaticContact CE1-NE1 3.69Å; F160-W587 AromaticContact CE2-CZ2 3.69Å; F160-W587 HydrophobicContact CE2-CZ2 3.69Å; F160-W587 AromaticContact CE2-NE1 3.83Å; F160-W587 AromaticContact CG-NE1 3.46Å; F160-W587 AromaticContact CZ-CZ2 3.61Å; F160-W587 HydrophobicContact CZ-CZ2 3.61Å; F160-W587 AromaticContact CZ-NE1 3.87Å; F160-L591 HydrophobicContact CD1-CD2 3.79Å; F160-L591 HydrophobicContact CE1-CD1 4.4Å; F160-L591 HydrophobicContact CE1-CD2 4Å
161	R	97.1	Very high	96.7	Very high	46 Å²	46	36.7 Å²	36.7	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-48.6	-179.5	174.8	171.9	176.2	125	7.2	111.3	S158 C163 L165 E166 S590 L591 M592 D593	S158-R161 PolarHBondContact O-N 3.09Å; R161-C163 PolarHBondContact O-N 2.75Å; R161-L165 HydrophobicContact CG-CB 4.4Å; R161-L165 HydrophobicContact CG-CD2 4.28Å; R161-L165 WeakPolarHBondContact O-CA 3.41Å; R161-L165 VanDerWaalsContact O-CB 3.3Å; R161-L165 WeakPolarHBondContact O-CB 3.45Å; R161-L165 PolarHBondContact O-N 3.46Å; R161-E166 HydrophobicContact CG-CG 4.47Å; R161-E166 IonicContact CZ-OE1 2.73Å; R161-E166 IonicContact NE-OE1 2.7Å; R161-E166 PolarHBondContact NE-OE1 3.1Å; R161-E166 IonicContact NH2-OE1 2.79Å; R161-E166 PolarHBondContact NH2-OE1 2.68Å; R161-E166 PolarHBondContact O-N 3.33Å; R161-S590 WeakPolarHBondContact CD-O 3.44Å; R161-L591 HydrophobicContact CB-CD2 4.33Å; R161-L591 PolarHBondContact NH1-O 2.96Å; R161-M592 PolarHBondContact NH1-O 3.37Å; R161-D593 IonicContact CZ-OD1 3.14Å; R161-D593 VanDerWaalsContact CZ-OD1 3.25Å; R161-D593 IonicContact NH1-OD1 3.53Å; R161-D593 PolarHBondContact NH1-OD1 3.45Å; R161-D593 IonicContact NH2-OD1 2.77Å; R161-D593 PolarHBondContact NH2-OD1 3.19Å
162	E	96.8	Very high	96.8	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.065	18%	0.182	C	C	.	.	I	π-helix	trans	-54	-53.9	177.7	-78.6	169.7	-160.5	0	0	110.6	Y156 S158 E166 N167 D168	Y156-E162 WeakPolarHBondContact CE1-OE1 3.21Å; Y156-E162 VanDerWaalsContact CE1-OE2 3.24Å; Y156-E162 WeakPolarHBondContact CE1-OE2 3.2Å; Y156-E162 PolarHBondContact OH-OE1 2.83Å; Y156-E162 PolarHBondContact OH-OE2 2.85Å; S158-E162 VanDerWaalsContact CB-OE1 3.29Å; S158-E162 WeakPolarHBondContact CB-OE1 3.34Å; S158-E162 WeakPolarHBondContact O-CB 3.31Å; S158-E162 WeakPolarHBondContact O-CG 3.25Å; S158-E162 PolarHBondContact O-N 3.27Å; S158-E162 PolarHBondContact OG-OE1 2.92Å; E162-E166 CarbonylContact O-C 3.53Å; E162-E166 PolarHBondContact O-N 3.23Å; E162-N167 PolarHBondContact O-N 3.01Å; E162-D168 CarbonylContact C-O 3.59Å; E162-D168 HydrophobicContact CB-CB 3.97Å; E162-D168 HydrophobicContact CG-CB 4.27Å; E162-D168 PolarHBondContact O-N 3.12Å
163	C	97.5	Very high	96.7	Very high	16 Å²	16	40.2 Å²	40.2	11%	0.108	20%	0.196	C	C	.	.	I	π-helix	trans	-70.7	-41.4	-175.1	-68.9	0	0	0	0	113.9	A159 F160 R161 D168 S171	A159-C163 WeakPolarHBondContact O-CB 3.35Å; A159-C163 PolarHBondContact O-N 2.88Å; A159-C163 VanDerWaalsContact O-N 3.17Å; A159-C163 PolarHBondContact O-SG 2.97Å; A159-C163 VanDerWaalsContact O-SG 3.37Å; F160-C163 PolarHBondContact O-N 3.2Å; R161-C163 PolarHBondContact O-N 2.75Å; C163-D168 WeakPolarHBondContact CA-O 3.42Å; C163-D168 PolarHBondContact N-O 2.97Å; C163-D168 PolarHBondContact SG-O 3.07Å; C163-D168 VanDerWaalsContact SG-O 3.34Å; C163-S171 PolarHBondContact SG-OG 3.46Å; C163-S171 VanDerWaalsContact SG-OG 3.41Å
164	Y	96.9	Very high	96.7	Very high	40 Å²	40	40.9 Å²	40.9	16%	0.157	20%	0.199	C	C	.	.	I	π-helix	trans	-101.7	-16.8	-169.4	-59.8	-71.1	0	0	0	114.6	F160 C198 D231 N233	F160-Y164 HydrophobicContact CB-CD2 4.41Å; F160-Y164 AromaticContact CD1-CD2 3.94Å; F160-Y164 HydrophobicContact CD1-CD2 3.94Å; F160-Y164 AromaticContact CD2-CD2 3.44Å; F160-Y164 HydrophobicContact CD2-CD2 3.44Å; F160-Y164 VanDerWaalsContact CD2-CD2 3.44Å; F160-Y164 AromaticContact CD2-CE2 3.54Å; F160-Y164 HydrophobicContact CD2-CE2 3.54Å; F160-Y164 AromaticContact CE1-CD2 3.97Å; F160-Y164 HydrophobicContact CE1-CD2 3.97Å; F160-Y164 HydrophobicContact CE1-CG 4.41Å; F160-Y164 AromaticContact CE2-CD2 3.46Å; F160-Y164 HydrophobicContact CE2-CD2 3.46Å; F160-Y164 VanDerWaalsContact CE2-CD2 3.46Å; F160-Y164 AromaticContact CE2-CE2 3.65Å; F160-Y164 HydrophobicContact CE2-CE2 3.65Å; F160-Y164 HydrophobicContact CE2-CG 4.3Å; F160-Y164 AromaticContact CG-CD2 3.68Å; F160-Y164 HydrophobicContact CG-CD2 3.68Å; F160-Y164 HydrophobicContact CG-CE2 4.16Å; F160-Y164 AromaticContact CZ-CD2 3.73Å; F160-Y164 HydrophobicContact CZ-CD2 3.73Å; F160-Y164 HydrophobicContact CZ-CE2 4.35Å; F160-Y164 HydrophobicContact CZ-CG 4.2Å; F160-Y164 WeakPolarHBondContact O-CB 3.29Å; F160-Y164 WeakPolarHBondContact O-CD2 3.37Å; F160-Y164 PolarHBondContact O-N 2.93Å; Y164-C198 PolarHBondContact OH-SG 3.23Å; Y164-C198 VanDerWaalsContact OH-SG 3.41Å; Y164-D231 VanDerWaalsContact OH-CB 3.29Å; Y164-D231 WeakPolarHBondContact OH-CB 3.44Å; Y164-D231 VanDerWaalsContact OH-CG 3.27Å; Y164-D231 PolarHBondContact OH-OD2 3.03Å; Y164-N233 HydrophobicContact CD1-CB 4.27Å; Y164-N233 HydrophobicContact CE1-CB 3.83Å; Y164-N233 VanDerWaalsContact CE1-CG 3.48Å; Y164-N233 VanDerWaalsContact CE1-ND2 3.31Å; Y164-N233 WeakPolarHBondContact CE1-ND2 3.43Å
165	L	96.2	Very high	96.7	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.12	20%	0.196	C	C	.	.	I	π-helix	trans	-113.6	-37.5	178.2	-79.1	60.6	0	0	0	112.4	F160 R161 N446 K449 A450 L591	F160-L165 HydrophobicContact CE1-CD1 4.41Å; R161-L165 HydrophobicContact CG-CB 4.4Å; R161-L165 HydrophobicContact CG-CD2 4.28Å; R161-L165 WeakPolarHBondContact O-CA 3.41Å; R161-L165 VanDerWaalsContact O-CB 3.3Å; R161-L165 WeakPolarHBondContact O-CB 3.45Å; R161-L165 PolarHBondContact O-N 3.46Å; L165-N446 HydrophobicContact CD2-CB 3.66Å; L165-K449 HydrophobicContact CG-CB 4.38Å; L165-A450 HydrophobicContact CD1-CB 3.95Å; L165-L591 HydrophobicContact CD1-CD2 4.06Å; L165-L591 HydrophobicContact CD2-CD2 3.88Å
166	E	96.4	Very high	96.7	Very high	94 Å²	94	39.7 Å²	39.7	44%	0.439	19%	0.194	S	C	.	.	I	π-helix	trans	-105.3	-10.5	-170.4	-62.3	167.4	173.7	0	0	112.7	R161 E162 D168	R161-E166 HydrophobicContact CG-CG 4.47Å; R161-E166 IonicContact CZ-OE1 2.73Å; R161-E166 IonicContact NE-OE1 2.7Å; R161-E166 PolarHBondContact NE-OE1 3.1Å; R161-E166 IonicContact NH2-OE1 2.79Å; R161-E166 PolarHBondContact NH2-OE1 2.68Å; R161-E166 PolarHBondContact O-N 3.33Å; E162-E166 CarbonylContact O-C 3.53Å; E162-E166 PolarHBondContact O-N 3.23Å; E166-D168 PolarHBondContact O-N 3.33Å
167	N	95.1	Very high	96.8	Very high	133 Å²	133	40.6 Å²	40.6	71%	0.711	20%	0.198	S	C	*	.			trans	57.8	28.5	-173.4	-55.3	-75.2	0	0	0	113.5	E162	E162-N167 PolarHBondContact O-N 3.01Å
168	D	96.9	Very high	97.1	Very high	63 Å²	63	37 Å²	37	34%	0.337	18%	0.182	S	C	.	.			trans	-90.8	121.2	171.2	-172.7	-14.4	0	0	0	109.7	E162 C163 E166 T170	E162-D168 CarbonylContact C-O 3.59Å; E162-D168 HydrophobicContact CB-CB 3.97Å; E162-D168 HydrophobicContact CG-CB 4.27Å; E162-D168 PolarHBondContact O-N 3.12Å; C163-D168 WeakPolarHBondContact CA-O 3.42Å; C163-D168 PolarHBondContact N-O 2.97Å; C163-D168 PolarHBondContact SG-O 3.07Å; C163-D168 VanDerWaalsContact SG-O 3.34Å; E166-D168 PolarHBondContact O-N 3.33Å; D168-T170 WeakPolarHBondContact OD1-CB 3.22Å; D168-T170 PolarHBondContact OD1-N 3.25Å; D168-T170 PolarHBondContact OD1-OG1 3Å
169	Q	96.8	Very high	97.4	Very high	88 Å²	88	35.6 Å²	35.6	41%	0.411	17%	0.173	S	C	.	.			trans	-103.8	14.9	-177.3	-61.1	-175.4	-6.8	0	0	112.8	S171 L172 Y173 H201	Q169-S171 VanDerWaalsContact C-N 3.31Å; Q169-S171 PolarHBondContact O-N 3.47Å; Q169-L172 HydrophobicContact CB-CB 4.49Å; Q169-L172 HydrophobicContact CB-CD1 4.1Å; Q169-L172 HydrophobicContact CB-CG 4.35Å; Q169-L172 HydrophobicContact CG-CD1 4.12Å; Q169-L172 WeakPolarHBondContact O-CB 3.35Å; Q169-L172 PolarHBondContact O-N 3.1Å; Q169-Y173 PolarHBondContact O-N 3.32Å; Q169-H201 PolarHBondContact NE2-NE2 2.92Å; Q169-H201 PolarHBondContact OE1-CD2 2.88Å
170	T	96.7	Very high	97.4	Very high	57 Å²	57	37.1 Å²	37.1	35%	0.35	18%	0.18	S	C	.	.	H	α-helix	trans	-54.9	-45.6	-179.4	-64.9	0	0	0	0	111.6	D168 L172 Y173 H174	D168-T170 WeakPolarHBondContact OD1-CB 3.22Å; D168-T170 PolarHBondContact OD1-N 3.25Å; D168-T170 PolarHBondContact OD1-OG1 3Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 2.86Å; T170-Y173 WeakPolarHBondContact O-CB 3.39Å; T170-Y173 PolarHBondContact O-N 3.34Å; T170-Y173 VanDerWaalsContact O-N 3.13Å; T170-H174 PolarHBondContact O-CD2 3.03Å; T170-H174 PolarHBondContact O-N 3.28Å; T170-H174 VanDerWaalsContact O-N 3.16Å
171	S	97.4	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-32.4	176.4	67.5	0	0	0	0	113.4	C163 Q169 H174 T175	C163-S171 PolarHBondContact SG-OG 3.46Å; C163-S171 VanDerWaalsContact SG-OG 3.41Å; Q169-S171 VanDerWaalsContact C-N 3.31Å; Q169-S171 PolarHBondContact O-N 3.47Å; S171-H174 PolarHBondContact O-N 3.48Å; S171-T175 WeakPolarHBondContact O-CB 3.36Å; S171-T175 PolarHBondContact O-N 2.99Å; S171-T175 PolarHBondContact O-OG1 2.81Å
172	L	98.6	Very high	97.4	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-71.2	-36	177.4	-52.9	-173	0	0	0	111.7	Q169 T170 T175 A176 C198 H201 V202 M205 L550	Q169-L172 HydrophobicContact CB-CB 4.49Å; Q169-L172 HydrophobicContact CB-CD1 4.1Å; Q169-L172 HydrophobicContact CB-CG 4.35Å; Q169-L172 HydrophobicContact CG-CD1 4.12Å; Q169-L172 WeakPolarHBondContact O-CB 3.35Å; Q169-L172 PolarHBondContact O-N 3.1Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 2.86Å; L172-T175 WeakPolarHBondContact O-CB 3.39Å; L172-T175 PolarHBondContact O-N 3.24Å; L172-A176 PolarHBondContact O-N 3.07Å; L172-C198 HydrophobicContact CD1-CB 3.77Å; L172-C198 HydrophobicContact CD2-CB 3.74Å; L172-C198 HydrophobicContact CG-CB 4.43Å; L172-H201 HydrophobicContact CD1-CB 3.98Å; L172-V202 HydrophobicContact CB-CG2 3.93Å; L172-V202 HydrophobicContact CD2-CG2 4.09Å; L172-V202 HydrophobicContact CG-CG2 4.49Å; L172-M205 HydrophobicContact CB-CE 3.63Å; L172-M205 VanDerWaalsContact O-CE 3.32Å; L172-M205 WeakPolarHBondContact O-CE 3.43Å; L172-L550 HydrophobicContact CD2-CD2 4.35Å
173	Y	98	Very high	97.4	Very high	77 Å²	77	37.2 Å²	37.2	30%	0.302	19%	0.186	S	C	.	.	H	α-helix	trans	-62.5	-46.5	173	177.2	-88.9	0	0	0	111	R116 Q169 T170 T175 A176 K177 M205 M209	R116-Y173 PolarHBondContact NH1-OH 3.25Å; R116-Y173 VanDerWaalsContact NH1-OH 3.08Å; Q169-Y173 PolarHBondContact O-N 3.32Å; T170-Y173 WeakPolarHBondContact O-CB 3.39Å; T170-Y173 PolarHBondContact O-N 3.34Å; T170-Y173 VanDerWaalsContact O-N 3.13Å; Y173-T175 VanDerWaalsContact C-N 3.31Å; Y173-T175 PolarHBondContact O-N 2.98Å; Y173-A176 PolarHBondContact O-N 2.9Å; Y173-K177 HydrophobicContact CD1-CG 4.1Å; Y173-K177 HydrophobicContact CE1-CD 4.42Å; Y173-K177 HydrophobicContact CE1-CG 3.63Å; Y173-K177 PolarHBondContact O-N 3.02Å; Y173-K177 WeakPolarHBondContact OH-CE 3.18Å; Y173-M205 HydrophobicContact CD2-SD 4.14Å; Y173-M209 HydrophobicContact CD2-CE 3.65Å; Y173-M209 HydrophobicContact CE2-CE 3.41Å; Y173-M209 VanDerWaalsContact CE2-CE 3.41Å; Y173-M209 HydrophobicContact CG-CE 4.4Å
174	H	97.9	Very high	97.2	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.065	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-36.9	175.7	-71.4	-63.1	0	0	0	112.3	P115 D143 M154 T170 S171 A176 K177 G178	P115-H174 VanDerWaalsContact CG-CE1 3.46Å; P115-H174 WeakPolarHBondContact CG-CE1 3.37Å; P115-H174 WeakPolarHBondContact CG-ND1 2.67Å; D143-H174 IonicContact OD1-CG 3.3Å; D143-H174 IonicContact OD1-ND1 2.96Å; D143-H174 PolarHBondContact OD1-ND1 3.03Å; M154-H174 HydrophobicContact CE-CB 3.46Å; M154-H174 VanDerWaalsContact CE-CB 3.46Å; T170-H174 PolarHBondContact O-CD2 3.03Å; T170-H174 PolarHBondContact O-N 3.28Å; T170-H174 VanDerWaalsContact O-N 3.16Å; S171-H174 PolarHBondContact O-N 3.48Å; H174-A176 PolarHBondContact O-N 2.99Å; H174-K177 PolarHBondContact O-N 3.36Å; H174-G178 PolarHBondContact O-N 2.98Å
175	T	98.7	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-49.1	171.9	-59.6	0	0	0	0	111.2	M154 S171 L172 Y173 K177 G178 L179 V202 F548 L550	M154-T175 PolarHBondContact SD-OG1 3.03Å; S171-T175 WeakPolarHBondContact O-CB 3.36Å; S171-T175 PolarHBondContact O-N 2.99Å; S171-T175 PolarHBondContact O-OG1 2.81Å; L172-T175 WeakPolarHBondContact O-CB 3.39Å; L172-T175 PolarHBondContact O-N 3.24Å; Y173-T175 VanDerWaalsContact C-N 3.31Å; Y173-T175 PolarHBondContact O-N 2.98Å; T175-K177 VanDerWaalsContact C-N 3.31Å; T175-K177 PolarHBondContact O-N 3.2Å; T175-G178 PolarHBondContact O-N 3.43Å; T175-L179 HydrophobicContact CG2-CD1 3.92Å; T175-L179 WeakPolarHBondContact O-CG 3.27Å; T175-L179 PolarHBondContact O-N 3.37Å; T175-V202 HydrophobicContact CG2-CG1 3.95Å; T175-V202 HydrophobicContact CG2-CG2 4.07Å; T175-F548 HydrophobicContact CG2-CD1 4.1Å; T175-F548 HydrophobicContact CG2-CD2 4.11Å; T175-F548 HydrophobicContact CG2-CE1 3.59Å; T175-F548 HydrophobicContact CG2-CE2 3.58Å; T175-F548 HydrophobicContact CG2-CG 4.37Å; T175-F548 HydrophobicContact CG2-CZ 3.32Å; T175-L550 HydrophobicContact CG2-CD2 3.73Å
176	A	98.6	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-38.8	177.1	0	0	0	0	0	111.8	L172 Y173 H174 L179 M180 V202 M205 M206 M209	L172-A176 PolarHBondContact O-N 3.07Å; Y173-A176 PolarHBondContact O-N 2.9Å; H174-A176 PolarHBondContact O-N 2.99Å; A176-L179 PolarHBondContact O-N 3.4Å; A176-M180 VanDerWaalsContact O-CG 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.39Å; A176-M180 PolarHBondContact O-N 3.28Å; A176-V202 HydrophobicContact CB-CG1 4.49Å; A176-M205 HydrophobicContact CB-CB 3.68Å; A176-M205 HydrophobicContact CB-CE 4.47Å; A176-M206 HydrophobicContact CB-CG 4.15Å; A176-M209 HydrophobicContact CB-CE 4.05Å; A176-M209 HydrophobicContact CB-SD 4.23Å
177	K	97.7	Very high	97.1	Very high	71 Å²	71	34 Å²	34	31%	0.309	18%	0.18	S	C	.	.	H	α-helix	trans	-64.3	-47.4	174.8	-77.1	-66.9	-175.8	179.4	0	113	D143 Y173 H174 T175 L179 M180 T181 M209	D143-K177 VanDerWaalsContact OD2-CB 3.3Å; D143-K177 WeakPolarHBondContact OD2-CB 3.37Å; Y173-K177 HydrophobicContact CD1-CG 4.1Å; Y173-K177 HydrophobicContact CE1-CD 4.42Å; Y173-K177 HydrophobicContact CE1-CG 3.63Å; Y173-K177 PolarHBondContact O-N 3.02Å; Y173-K177 WeakPolarHBondContact OH-CE 3.18Å; H174-K177 PolarHBondContact O-N 3.36Å; T175-K177 VanDerWaalsContact C-N 3.31Å; T175-K177 PolarHBondContact O-N 3.2Å; K177-L179 VanDerWaalsContact C-N 3.27Å; K177-L179 PolarHBondContact O-N 2.92Å; K177-M180 WeakPolarHBondContact O-CA 3.13Å; K177-M180 WeakPolarHBondContact O-CB 3.43Å; K177-M180 PolarHBondContact O-N 2.9Å; K177-T181 PolarHBondContact O-N 3.23Å; K177-T181 PolarHBondContact O-OG1 2.79Å; K177-M209 HydrophobicContact CD-CE 4.07Å; K177-M209 HydrophobicContact CD-SD 3.84Å; K177-M209 HydrophobicContact CG-CE 4.01Å; K177-M209 HydrophobicContact CG-SD 4.26Å
178	G	98.1	Very high	97.1	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-56.8	-41.6	173.4	0	0	0	0	0	112.2	D143 H174 T175 M180 T181 L182	D143-G178 PolarHBondContact OD2-N 2.95Å; H174-G178 PolarHBondContact O-N 2.98Å; T175-G178 PolarHBondContact O-N 3.43Å; G178-M180 PolarHBondContact O-N 3.2Å; G178-T181 WeakPolarHBondContact O-CB 3.29Å; G178-T181 PolarHBondContact O-N 2.74Å; G178-L182 WeakPolarHBondContact O-CG 3.48Å; G178-L182 PolarHBondContact O-N 3.1Å
179	L	98.6	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-36.1	174.6	-71.4	165.3	0	0	0	112.5	T175 A176 K177 L182 Q183 V202 M206 L227 L229 L546 F548	T175-L179 HydrophobicContact CG2-CD1 3.92Å; T175-L179 WeakPolarHBondContact O-CG 3.27Å; T175-L179 PolarHBondContact O-N 3.37Å; A176-L179 PolarHBondContact O-N 3.4Å; K177-L179 VanDerWaalsContact C-N 3.27Å; K177-L179 PolarHBondContact O-N 2.92Å; L179-L182 HydrophobicContact CD2-CD1 4.39Å; L179-L182 PolarHBondContact O-N 2.94Å; L179-Q183 WeakPolarHBondContact O-CG 3.44Å; L179-Q183 PolarHBondContact O-N 3.34Å; L179-V202 HydrophobicContact CD1-CG1 3.7Å; L179-M206 HydrophobicContact CB-CE 3.8Å; L179-M206 HydrophobicContact CB-CG 4.27Å; L179-M206 HydrophobicContact CB-SD 3.86Å; L179-M206 HydrophobicContact CD1-CE 4.31Å; L179-M206 HydrophobicContact CD1-CG 4.31Å; L179-M206 HydrophobicContact CD1-SD 3.42Å; L179-M206 WeakPolarHBondContact CD1-SD 3.47Å; L179-M206 HydrophobicContact CG-CE 4.5Å; L179-M206 HydrophobicContact CG-SD 4.18Å; L179-L227 HydrophobicContact CD1-CD2 4.13Å; L179-L227 HydrophobicContact CD2-CD1 4.11Å; L179-L227 HydrophobicContact CD2-CD2 4.16Å; L179-L229 HydrophobicContact CD1-CD2 4.1Å; L179-L546 HydrophobicContact CD2-CD2 3.74Å; L179-F548 HydrophobicContact CD1-CD2 4.26Å; L179-F548 HydrophobicContact CD2-CD2 4.04Å; L179-F548 HydrophobicContact CD2-CE2 4.49Å; L179-F548 HydrophobicContact CG-CD2 4.29Å; L179-F548 HydrophobicContact CG-CE2 4.39Å
180	M	97.2	Very high	97.1	Very high	34 Å²	34	22.7 Å²	22.7	17%	0.167	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-39.8	171.9	-68.2	-57.1	-65.5	0	0	111.9	A176 K177 G178 Q183 A184 M209 K210	A176-M180 VanDerWaalsContact O-CG 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.39Å; A176-M180 PolarHBondContact O-N 3.28Å; K177-M180 WeakPolarHBondContact O-CA 3.13Å; K177-M180 WeakPolarHBondContact O-CB 3.43Å; K177-M180 PolarHBondContact O-N 2.9Å; G178-M180 PolarHBondContact O-N 3.2Å; M180-Q183 PolarHBondContact O-N 2.86Å; M180-Q183 PolarHBondContact SD-NE2 3.29Å; M180-A184 PolarHBondContact O-N 3Å; M180-M209 HydrophobicContact CE-CB 4.27Å; M180-M209 HydrophobicContact CG-CB 4.05Å; M180-M209 HydrophobicContact CG-SD 3.91Å; M180-M209 HydrophobicContact SD-CB 4.16Å; M180-K210 HydrophobicContact CE-CB 4.08Å
181	T	97	Very high	97.2	Very high	52 Å²	52	21.5 Å²	21.5	32%	0.319	12%	0.115	S	C	.	.	H	α-helix	trans	-61.1	-44	173.1	-59.6	0	0	0	0	111.2	L15 K177 G178 Q183 A184 L185	L15-T181 HydrophobicContact CD1-CG2 4Å; K177-T181 PolarHBondContact O-N 3.23Å; K177-T181 PolarHBondContact O-OG1 2.79Å; G178-T181 WeakPolarHBondContact O-CB 3.29Å; G178-T181 PolarHBondContact O-N 2.74Å; T181-Q183 VanDerWaalsContact C-N 3.34Å; T181-Q183 PolarHBondContact O-N 3.25Å; T181-A184 WeakPolarHBondContact O-CB 3.42Å; T181-A184 PolarHBondContact O-N 2.84Å; T181-L185 HydrophobicContact CG2-CD1 4.22Å; T181-L185 WeakPolarHBondContact O-CG 3.28Å; T181-L185 PolarHBondContact O-N 2.94Å; T181-L185 VanDerWaalsContact O-N 3.16Å
182	L	97.8	Very high	97.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-44.1	173.2	-68.6	-175.3	0	0	0	111.6	L15 L144 L152 G178 L179 A184 L185 Y186 L546	L15-L182 HydrophobicContact CD2-CD2 3.88Å; L144-L182 HydrophobicContact CD1-CD1 3.71Å; L144-L182 HydrophobicContact CD1-CG 3.94Å; L152-L182 HydrophobicContact CD1-CD1 4.13Å; L152-L182 HydrophobicContact CD1-CD2 4.3Å; G178-L182 WeakPolarHBondContact O-CG 3.48Å; G178-L182 PolarHBondContact O-N 3.1Å; L179-L182 HydrophobicContact CD2-CD1 4.39Å; L179-L182 PolarHBondContact O-N 2.94Å; L182-A184 VanDerWaalsContact C-N 3.28Å; L182-A184 PolarHBondContact O-N 2.85Å; L182-L185 PolarHBondContact O-N 3.02Å; L182-Y186 HydrophobicContact CB-CD2 4.27Å; L182-Y186 HydrophobicContact CD2-CD2 3.84Å; L182-Y186 HydrophobicContact CD2-CE2 3.63Å; L182-Y186 WeakPolarHBondContact O-CB 3.28Å; L182-Y186 WeakPolarHBondContact O-CD2 3.35Å; L182-Y186 PolarHBondContact O-N 2.84Å; L182-L546 HydrophobicContact CD1-CD2 3.71Å
183	Q	96.3	Very high	97.2	Very high	14 Å²	14	22.7 Å²	22.7	7%	0.065	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-32.4	177.8	-70.8	-171.6	125.2	0	0	113.2	L179 M180 T181 L185 G187 I189	L179-Q183 WeakPolarHBondContact O-CG 3.44Å; L179-Q183 PolarHBondContact O-N 3.34Å; M180-Q183 PolarHBondContact O-N 2.86Å; M180-Q183 PolarHBondContact SD-NE2 3.29Å; T181-Q183 VanDerWaalsContact C-N 3.34Å; T181-Q183 PolarHBondContact O-N 3.25Å; Q183-L185 VanDerWaalsContact C-N 3.32Å; Q183-G187 WeakPolarHBondContact CA-O 3.37Å; Q183-G187 CarbonylContact O-C 3.6Å; Q183-G187 VanDerWaalsContact O-CA 3.26Å; Q183-G187 WeakPolarHBondContact O-CA 3.23Å; Q183-G187 PolarHBondContact O-N 3.15Å; Q183-I189 HydrophobicContact CG-CG1 4.04Å; Q183-I189 VanDerWaalsContact OE1-N 3.08Å
184	A	95.3	Very high	97.3	Very high	49 Å²	49	19 Å²	19	41%	0.405	11%	0.106	S	C	.	.	H	α-helix	trans	-68.3	-31.7	176.7	0	0	0	0	0	112.7	M180 T181 L182 N218 I220	M180-A184 PolarHBondContact O-N 3Å; T181-A184 WeakPolarHBondContact O-CB 3.42Å; T181-A184 PolarHBondContact O-N 2.84Å; L182-A184 VanDerWaalsContact C-N 3.28Å; L182-A184 PolarHBondContact O-N 2.85Å; A184-N218 PolarHBondContact O-ND2 2.92Å; A184-I220 WeakPolarHBondContact O-CD1 3.34Å
185	L	96.1	Very high	97.3	Very high	49 Å²	49	18.4 Å²	18.4	26%	0.257	10%	0.103	S	C	.	.	H	α-helix	trans	-94.9	-32.1	-178.2	-64.2	175.6	0	0	0	113.8	I14 L15 A18 T181 L182 Q183	I14-L185 HydrophobicContact CG2-CB 4.28Å; I14-L185 HydrophobicContact CG2-CD2 4.21Å; L15-L185 HydrophobicContact CB-CD1 4.2Å; L15-L185 HydrophobicContact CD1-CD1 3.69Å; A18-L185 HydrophobicContact CB-CD1 4.29Å; A18-L185 HydrophobicContact CB-CD2 4.43Å; T181-L185 HydrophobicContact CG2-CD1 4.22Å; T181-L185 WeakPolarHBondContact O-CG 3.28Å; T181-L185 PolarHBondContact O-N 2.94Å; T181-L185 VanDerWaalsContact O-N 3.16Å; L182-L185 PolarHBondContact O-N 3.02Å; Q183-L185 VanDerWaalsContact C-N 3.32Å
186	Y	96.3	Very high	97.3	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-122.4	6.9	-169.9	-56.7	-73.1	0	0	0	114	V10 N11 L12 I14 L15 L182 V223 F224	V10-Y186 HydrophobicContact CG1-CD1 4.24Å; V10-Y186 HydrophobicContact CG1-CE1 3.97Å; N11-Y186 PolarHBondContact O-OH 3.09Å; N11-Y186 VanDerWaalsContact O-OH 3.12Å; L12-Y186 WeakPolarHBondContact CA-OH 3.09Å; I14-Y186 HydrophobicContact CB-CE1 4.12Å; I14-Y186 HydrophobicContact CD1-CE1 4.1Å; L15-Y186 HydrophobicContact CB-CE2 4.3Å; L15-Y186 WeakPolarHBondContact CB-OH 3.23Å; L15-Y186 PolarHBondContact N-OH 3.24Å; L182-Y186 HydrophobicContact CB-CD2 4.27Å; L182-Y186 HydrophobicContact CD2-CD2 3.84Å; L182-Y186 HydrophobicContact CD2-CE2 3.63Å; L182-Y186 WeakPolarHBondContact O-CB 3.28Å; L182-Y186 WeakPolarHBondContact O-CD2 3.35Å; L182-Y186 PolarHBondContact O-N 2.84Å; Y186-V223 HydrophobicContact CD1-CG2 4.24Å; Y186-V223 PolarHBondContact O-N 2.88Å; Y186-F224 HydrophobicContact CD2-CE2 4.08Å; Y186-F224 HydrophobicContact CG-CE2 4.07Å
187	G	94.9	Very high	97.3	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.031	12%	0.123	C	C	.	.			trans	85.9	162.1	179.8	0	0	0	0	0	113.9	Q183 I189	Q183-G187 WeakPolarHBondContact CA-O 3.37Å; Q183-G187 CarbonylContact O-C 3.6Å; Q183-G187 VanDerWaalsContact O-CA 3.26Å; Q183-G187 WeakPolarHBondContact O-CA 3.23Å; Q183-G187 PolarHBondContact O-N 3.15Å; G187-I189 PolarHBondContact O-N 2.68Å
188	T	95.3	Very high	97.4	Very high	17 Å²	17	19.2 Å²	19.2	10%	0.104	11%	0.111	C	C	.	.			trans	-59.7	134.1	179	-75.1	0	0	0	0	111.2	P190 K210 P222 Q527 L529	T188-P190 VanDerWaalsContact O-CD 3.31Å; T188-P190 WeakPolarHBondContact O-CD 3.46Å; T188-K210 PolarHBondContact OG1-NZ 2.86Å; T188-K210 VanDerWaalsContact OG1-NZ 3.07Å; T188-P222 VanDerWaalsContact O-CB 3.29Å; T188-P222 WeakPolarHBondContact O-CB 3.32Å; T188-P222 VanDerWaalsContact O-CG 3.3Å; T188-P222 WeakPolarHBondContact O-CG 3.41Å; T188-Q527 HydrophobicContact CG2-CB 3.76Å; T188-L529 HydrophobicContact CG2-CD2 3.89Å
189	I	97.1	Very high	97.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.			trans	-81.9	113.3	172.8	-48.2	-175.9	0	0	0	109.3	Q183 G187 Q191 F224 L227 Q527 L546	Q183-I189 HydrophobicContact CG-CG1 4.04Å; Q183-I189 VanDerWaalsContact OE1-N 3.08Å; G187-I189 PolarHBondContact O-N 2.68Å; I189-Q191 PolarHBondContact O-N 3.29Å; I189-F224 HydrophobicContact CD1-CB 4.18Å; I189-F224 HydrophobicContact CD1-CD2 4.36Å; I189-F224 HydrophobicContact CD1-CG 4.45Å; I189-F224 HydrophobicContact CG1-CB 4.04Å; I189-F224 HydrophobicContact CG2-CB 4.21Å; I189-L227 HydrophobicContact CD1-CB 4.13Å; I189-L227 HydrophobicContact CG2-CB 3.88Å; I189-Q527 PolarHBondContact O-NE2 3.13Å; I189-L546 HydrophobicContact CD1-CD2 4.1Å
190	P	95.9	Very high	97.4	Very high	29 Å²	29	21.1 Å²	21.1	19%	0.188	12%	0.118	C	C	.	.			trans	-68.2	-37.6	-169.5	-15.2	24.8	0	0	0	114.6	T188 P222 F224 R526 Q527 L529	T188-P190 VanDerWaalsContact O-CD 3.31Å; T188-P190 WeakPolarHBondContact O-CD 3.46Å; P190-P222 HydrophobicContact CG-CB 4.32Å; P190-P222 HydrophobicContact CG-CG 4.37Å; P190-F224 VanDerWaalsContact CD-O 3.27Å; P190-F224 WeakPolarHBondContact CD-O 3.25Å; P190-R526 WeakPolarHBondContact O-CA 3.35Å; P190-Q527 PolarHBondContact O-N 2.81Å; P190-L529 HydrophobicContact CG-CD2 4.15Å
191	Q	97.6	Very high	97.5	Very high	33 Å²	33	22.9 Å²	22.9	15%	0.154	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.9	-175.7	-60	-170	-86.7	0	0	110.3	I189 F193 T226 L227	I189-Q191 PolarHBondContact O-N 3.29Å; Q191-F193 HydrophobicContact CB-CE2 3.99Å; Q191-T226 HydrophobicContact CB-CG2 4.48Å; Q191-T226 CarbonylContact O-C 3.26Å; Q191-T226 WeakPolarHBondContact O-CA 3.02Å; Q191-L227 PolarHBondContact O-N 2.82Å
192	I	98.7	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.5	173.8	-52.4	174.1	0	0	0	107.5	A203 M206 L227 L229 F523 E524 E525 Q527	I192-A203 HydrophobicContact CG2-CB 4.35Å; I192-M206 HydrophobicContact CD1-CE 4.2Å; I192-M206 HydrophobicContact CD1-SD 4.45Å; I192-L227 CarbonylContact C-O 3.34Å; I192-L227 WeakPolarHBondContact CA-O 3.47Å; I192-L227 HydrophobicContact CG1-CB 4.4Å; I192-L227 HydrophobicContact CG1-CD2 4.28Å; I192-L227 HydrophobicContact CG2-CB 4.49Å; I192-L227 HydrophobicContact CG2-CD2 4.01Å; I192-L227 HydrophobicContact CG2-CG 4.22Å; I192-L229 HydrophobicContact CG2-CD1 3.88Å; I192-L229 HydrophobicContact CG2-CG 4.47Å; I192-F523 HydrophobicContact CG2-CE2 4.23Å; I192-E524 CarbonylContact O-C 3.6Å; I192-E524 WeakPolarHBondContact O-CA 3.45Å; I192-E525 HydrophobicContact CB-CB 4.21Å; I192-E525 PolarHBondContact N-O 2.92Å; I192-E525 PolarHBondContact O-N 3Å; I192-Q527 HydrophobicContact CD1-CG 4.14Å
193	F	98.8	Very high	97.6	Very high	28 Å²	28	20.4 Å²	20.4	12%	0.123	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	153.3	166.8	-63.1	-88.5	0	0	0	108.7	Q191 T226 L227 L228 L229 L503 W508 F523 E524	Q191-F193 HydrophobicContact CB-CE2 3.99Å; F193-T226 HydrophobicContact CD2-CG2 3.48Å; F193-T226 VanDerWaalsContact CD2-CG2 3.48Å; F193-T226 HydrophobicContact CE2-CG2 3.74Å; F193-L227 PolarHBondContact N-O 3.33Å; F193-L228 HydrophobicContact CB-CD1 4.12Å; F193-L228 CarbonylContact O-C 3.48Å; F193-L228 WeakPolarHBondContact O-CA 3.45Å; F193-L229 PolarHBondContact O-N 2.97Å; F193-L503 HydrophobicContact CB-CD1 4.4Å; F193-L503 HydrophobicContact CB-CD2 3.89Å; F193-L503 HydrophobicContact CD1-CD1 3.73Å; F193-L503 HydrophobicContact CD2-CD1 4.32Å; F193-L503 HydrophobicContact CD2-CD2 4.09Å; F193-L503 HydrophobicContact CE1-CD1 4.01Å; F193-L503 HydrophobicContact CG-CD1 3.89Å; F193-L503 HydrophobicContact CG-CD2 3.95Å; F193-L503 HydrophobicContact CZ-CD1 4.44Å; F193-W508 HydrophobicContact CB-CH2 4.4Å; F193-W508 HydrophobicContact CB-CZ3 4.19Å; F193-F523 WeakPolarHBondContact CA-O 3.41Å; F193-E524 HydrophobicContact CD1-CB 3.85Å; F193-E524 HydrophobicContact CD1-CG 3.95Å; F193-E524 HydrophobicContact CE1-CB 3.73Å; F193-E524 VanDerWaalsContact CE1-CD 3.49Å; F193-E524 HydrophobicContact CE1-CG 3.44Å; F193-E524 VanDerWaalsContact CE1-CG 3.44Å; F193-E524 HydrophobicContact CZ-CG 3.87Å
194	G	98.8	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	155.3	170	0	0	0	0	0	114	L229 W508 H522 F523	G194-L229 CarbonylContact C-O 3.54Å; G194-L229 WeakPolarHBondContact CA-O 3.41Å; G194-W508 WeakPolarHBondContact O-CZ3 3.45Å; G194-H522 CarbonylContact O-C 3.55Å; G194-H522 VanDerWaalsContact O-CA 3.24Å; G194-H522 WeakPolarHBondContact O-CA 3.42Å; G194-F523 PolarHBondContact N-O 3.26Å; G194-F523 VanDerWaalsContact N-O 3.11Å; G194-F523 PolarHBondContact O-N 3.33Å
195	K	98.9	Very high	97.9	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	116.4	173.6	174.1	61.4	-174.6	170.7	0	108.7	L229 L230 D231 V234 W508 L515 L518 P519 G520 P521 H522	K195-L229 PolarHBondContact N-O 3.45Å; K195-L230 HydrophobicContact CB-CD1 3.9Å; K195-L230 HydrophobicContact CG-CD1 4.32Å; K195-D231 PolarHBondContact O-N 3.29Å; K195-D231 VanDerWaalsContact O-N 3.07Å; K195-V234 HydrophobicContact CG-CB 4.49Å; K195-V234 HydrophobicContact CG-CG1 3.82Å; K195-V234 HydrophobicContact CG-CG2 3.85Å; K195-W508 HydrophobicContact CB-CH2 3.81Å; K195-W508 HydrophobicContact CB-CZ2 4.39Å; K195-W508 HydrophobicContact CB-CZ3 4.37Å; K195-L515 HydrophobicContact CD-CD2 4.31Å; K195-L515 PolarHBondContact NZ-O 3.07Å; K195-L518 VanDerWaalsContact CE-CB 3.46Å; K195-L518 PolarHBondContact NZ-O 2.71Å; K195-P519 WeakPolarHBondContact CE-O 3.33Å; K195-P519 PolarHBondContact NZ-O 2.9Å; K195-G520 PolarHBondContact NZ-O 2.8Å; K195-P521 VanDerWaalsContact CA-O 3.32Å; K195-P521 WeakPolarHBondContact CA-O 3.18Å; K195-H522 HydrophobicContact CD-CB 4.03Å
196	G	98.7	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	125.3	163.1	-177.3	0	0	0	0	0	114.3	R200 D231 P521	G196-R200 PolarHBondContact O-N 2.9Å; G196-D231 VanDerWaalsContact C-OD2 3.31Å; G196-D231 VanDerWaalsContact CA-CG 3.41Å; G196-D231 WeakPolarHBondContact CA-OD2 3.36Å; G196-P521 PolarHBondContact N-O 3.28Å
197	D	98.6	Very high	98	Very high	78 Å²	78	22 Å²	22	42%	0.417	11%	0.112	S	C	.	.	H	α-helix	trans	-74.8	-44.7	-179.1	-67.1	-50.1	0	0	0	110.9	A199 R200 H201 D231 P521	D197-A199 VanDerWaalsContact C-N 3.29Å; D197-A199 PolarHBondContact O-N 3.23Å; D197-R200 WeakPolarHBondContact O-CB 3.48Å; D197-R200 PolarHBondContact O-N 3.32Å; D197-R200 VanDerWaalsContact O-N 3.14Å; D197-H201 PolarHBondContact O-N 2.88Å; D197-H201 PolarHBondContact O-ND1 2.96Å; D197-D231 PolarHBondContact N-OD2 3.11Å; D197-P521 WeakPolarHBondContact OD1-CD 3.42Å
198	C	98.8	Very high	98.2	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-41.3	175.7	-60.2	0	0	0	0	110.5	Y164 L172 R200 H201 V202 D231 L550	Y164-C198 PolarHBondContact OH-SG 3.23Å; Y164-C198 VanDerWaalsContact OH-SG 3.41Å; L172-C198 HydrophobicContact CD1-CB 3.77Å; L172-C198 HydrophobicContact CD2-CB 3.74Å; L172-C198 HydrophobicContact CG-CB 4.43Å; C198-R200 VanDerWaalsContact C-N 3.3Å; C198-R200 PolarHBondContact O-N 3.4Å; C198-H201 WeakPolarHBondContact O-CB 3.44Å; C198-H201 PolarHBondContact O-N 2.97Å; C198-H201 VanDerWaalsContact O-N 3.12Å; C198-V202 WeakPolarHBondContact O-CG2 3.21Å; C198-V202 PolarHBondContact O-N 3.23Å; C198-D231 WeakPolarHBondContact CB-OD1 3.3Å; C198-D231 WeakPolarHBondContact CB-OD2 3.46Å; C198-D231 PolarHBondContact N-OD1 2.93Å; C198-D231 PolarHBondContact N-OD2 3.14Å; C198-L550 HydrophobicContact CB-CB 4.23Å; C198-L550 HydrophobicContact CB-CD1 3.93Å
199	A	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-55.6	-45	174.2	0	0	0	0	0	111.5	D197 H201 V202 A203 L229 D231 F523 L550	D197-A199 VanDerWaalsContact C-N 3.29Å; D197-A199 PolarHBondContact O-N 3.23Å; A199-H201 PolarHBondContact O-N 2.93Å; A199-V202 PolarHBondContact O-N 2.91Å; A199-A203 WeakPolarHBondContact O-CB 3.44Å; A199-A203 PolarHBondContact O-N 2.98Å; A199-L229 HydrophobicContact CB-CB 3.57Å; A199-L229 WeakPolarHBondContact O-CD1 3.46Å; A199-D231 WeakPolarHBondContact CB-OD1 3.32Å; A199-D231 PolarHBondContact N-OD1 3.34Å; A199-F523 HydrophobicContact CB-CE1 4.12Å; A199-F523 HydrophobicContact CB-CZ 4.29Å; A199-F523 WeakPolarHBondContact O-CZ 3.35Å; A199-L550 HydrophobicContact CB-CD1 3.95Å
200	R	98.8	Very high	98	Very high	43 Å²	43	30.7 Å²	30.7	16%	0.162	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-41.4	176.9	-175.7	62.6	-89	-172.9	-8.8	112.1	G196 D197 C198 A203 N204 P521 F523 E525	G196-R200 PolarHBondContact O-N 2.9Å; D197-R200 WeakPolarHBondContact O-CB 3.48Å; D197-R200 PolarHBondContact O-N 3.32Å; D197-R200 VanDerWaalsContact O-N 3.14Å; C198-R200 VanDerWaalsContact C-N 3.3Å; C198-R200 PolarHBondContact O-N 3.4Å; R200-A203 PolarHBondContact O-N 2.71Å; R200-N204 PolarHBondContact NE-OD1 3.48Å; R200-N204 VanDerWaalsContact NE-OD1 3.13Å; R200-N204 PolarHBondContact NH2-OD1 2.9Å; R200-N204 WeakPolarHBondContact O-CB 3.44Å; R200-N204 PolarHBondContact O-N 3.18Å; R200-N204 PolarHBondContact O-ND2 3.19Å; R200-P521 HydrophobicContact CB-CG 4Å; R200-P521 HydrophobicContact CG-CG 4.37Å; R200-F523 HydrophobicContact CB-CD1 4.4Å; R200-F523 HydrophobicContact CB-CE1 3.93Å; R200-E525 IonicContact CZ-OE1 3.46Å; R200-E525 VanDerWaalsContact CZ-OE1 3.3Å; R200-E525 IonicContact NH1-OE1 3.98Å; R200-E525 PolarHBondContact NH1-OE1 2.99Å; R200-E525 IonicContact NH2-OE1 2.75Å; R200-E525 PolarHBondContact NH2-OE1 2.84Å
201	H	98.6	Very high	97.9	Very high	71 Å²	71	38.8 Å²	38.8	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-63.4	-46.3	177.2	-71.6	91.1	0	0	0	111.7	Q169 L172 D197 C198 A199 A203 N204 M205	Q169-H201 PolarHBondContact NE2-NE2 2.92Å; Q169-H201 PolarHBondContact OE1-CD2 2.88Å; L172-H201 HydrophobicContact CD1-CB 3.98Å; D197-H201 PolarHBondContact O-N 2.88Å; D197-H201 PolarHBondContact O-ND1 2.96Å; C198-H201 WeakPolarHBondContact O-CB 3.44Å; C198-H201 PolarHBondContact O-N 2.97Å; C198-H201 VanDerWaalsContact O-N 3.12Å; A199-H201 PolarHBondContact O-N 2.93Å; H201-A203 PolarHBondContact O-N 2.81Å; H201-N204 PolarHBondContact O-N 3.42Å; H201-M205 PolarHBondContact O-N 3.44Å
202	V	98.9	Very high	97.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-48.5	176.5	171.6	0	0	0	0	110.9	L172 T175 A176 L179 C198 A199 N204 M205 M206 L229 L550	L172-V202 HydrophobicContact CB-CG2 3.93Å; L172-V202 HydrophobicContact CD2-CG2 4.09Å; L172-V202 HydrophobicContact CG-CG2 4.49Å; T175-V202 HydrophobicContact CG2-CG1 3.95Å; T175-V202 HydrophobicContact CG2-CG2 4.07Å; A176-V202 HydrophobicContact CB-CG1 4.49Å; L179-V202 HydrophobicContact CD1-CG1 3.7Å; C198-V202 WeakPolarHBondContact O-CG2 3.21Å; C198-V202 PolarHBondContact O-N 3.23Å; A199-V202 PolarHBondContact O-N 2.91Å; V202-N204 VanDerWaalsContact C-N 3.32Å; V202-N204 PolarHBondContact O-N 3.02Å; V202-M205 PolarHBondContact O-N 2.94Å; V202-M206 HydrophobicContact CG1-CG 4.39Å; V202-M206 HydrophobicContact CG1-SD 4.24Å; V202-M206 WeakPolarHBondContact O-CG 3.5Å; V202-M206 PolarHBondContact O-N 3.24Å; V202-L229 HydrophobicContact CB-CD1 4.18Å; V202-L229 HydrophobicContact CB-CD2 4.36Å; V202-L229 HydrophobicContact CG1-CD1 3.97Å; V202-L229 HydrophobicContact CG1-CD2 3.74Å; V202-L550 HydrophobicContact CG2-CD1 4.01Å; V202-L550 HydrophobicContact CG2-CD2 4.01Å
203	A	98.8	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-43.2	177.8	0	0	0	0	0	112.1	I192 A199 R200 H201 M205 M206 L207 L229 F523	I192-A203 HydrophobicContact CG2-CB 4.35Å; A199-A203 WeakPolarHBondContact O-CB 3.44Å; A199-A203 PolarHBondContact O-N 2.98Å; R200-A203 PolarHBondContact O-N 2.71Å; H201-A203 PolarHBondContact O-N 2.81Å; A203-M205 PolarHBondContact O-N 2.76Å; A203-M206 PolarHBondContact O-N 3.26Å; A203-L207 VanDerWaalsContact O-CG 3.28Å; A203-L207 WeakPolarHBondContact O-CG 3.18Å; A203-L207 PolarHBondContact O-N 3.41Å; A203-L229 HydrophobicContact CB-CD1 3.9Å; A203-F523 HydrophobicContact CB-CE2 3.56Å; A203-F523 HydrophobicContact CB-CZ 3.66Å
204	N	98.8	Very high	96.7	Very high	77 Å²	77	51.7 Å²	51.7	41%	0.412	25%	0.248	S	C	.	.	H	α-helix	trans	-60.3	-45.2	176	-74	-17.3	0	0	0	112.1	R200 H201 V202 L207 R208	R200-N204 PolarHBondContact NE-OD1 3.48Å; R200-N204 VanDerWaalsContact NE-OD1 3.13Å; R200-N204 PolarHBondContact NH2-OD1 2.9Å; R200-N204 WeakPolarHBondContact O-CB 3.44Å; R200-N204 PolarHBondContact O-N 3.18Å; R200-N204 PolarHBondContact O-ND2 3.19Å; H201-N204 PolarHBondContact O-N 3.42Å; V202-N204 VanDerWaalsContact C-N 3.32Å; V202-N204 PolarHBondContact O-N 3.02Å; N204-L207 PolarHBondContact O-N 3Å; N204-R208 VanDerWaalsContact O-CB 3.3Å; N204-R208 WeakPolarHBondContact O-CB 3.32Å; N204-R208 PolarHBondContact O-N 3.03Å
205	M	98.7	Very high	95.8	Very high	40 Å²	40	53.6 Å²	53.6	20%	0.197	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-44	178	-75.7	-171.1	-74.5	0	0	111.9	L172 Y173 A176 H201 V202 A203 L207 R208 M209	L172-M205 HydrophobicContact CB-CE 3.63Å; L172-M205 VanDerWaalsContact O-CE 3.32Å; L172-M205 WeakPolarHBondContact O-CE 3.43Å; Y173-M205 HydrophobicContact CD2-SD 4.14Å; A176-M205 HydrophobicContact CB-CB 3.68Å; A176-M205 HydrophobicContact CB-CE 4.47Å; H201-M205 PolarHBondContact O-N 3.44Å; V202-M205 PolarHBondContact O-N 2.94Å; A203-M205 PolarHBondContact O-N 2.76Å; M205-L207 PolarHBondContact O-N 2.83Å; M205-R208 PolarHBondContact O-N 3.21Å; M205-M209 HydrophobicContact CB-CE 4.4Å; M205-M209 WeakPolarHBondContact O-CB 2.96Å; M205-M209 VanDerWaalsContact O-CG 3.25Å; M205-M209 WeakPolarHBondContact O-CG 3.27Å; M205-M209 PolarHBondContact O-N 2.87Å
206	M	97.9	Very high	94.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-50.3	175.2	-72.7	-179.6	68.4	0	0	111.9	A176 L179 I192 V202 A203 R208 M209 K210 L227	A176-M206 HydrophobicContact CB-CG 4.15Å; L179-M206 HydrophobicContact CB-CE 3.8Å; L179-M206 HydrophobicContact CB-CG 4.27Å; L179-M206 HydrophobicContact CB-SD 3.86Å; L179-M206 HydrophobicContact CD1-CE 4.31Å; L179-M206 HydrophobicContact CD1-CG 4.31Å; L179-M206 HydrophobicContact CD1-SD 3.42Å; L179-M206 WeakPolarHBondContact CD1-SD 3.47Å; L179-M206 HydrophobicContact CG-CE 4.5Å; L179-M206 HydrophobicContact CG-SD 4.18Å; I192-M206 HydrophobicContact CD1-CE 4.2Å; I192-M206 HydrophobicContact CD1-SD 4.45Å; V202-M206 HydrophobicContact CG1-CG 4.39Å; V202-M206 HydrophobicContact CG1-SD 4.24Å; V202-M206 WeakPolarHBondContact O-CG 3.5Å; V202-M206 PolarHBondContact O-N 3.24Å; A203-M206 PolarHBondContact O-N 3.26Å; M206-R208 VanDerWaalsContact C-N 3.28Å; M206-R208 PolarHBondContact O-N 2.99Å; M206-M209 PolarHBondContact O-N 3.44Å; M206-K210 WeakPolarHBondContact O-CB 3.36Å; M206-K210 PolarHBondContact O-N 3.08Å; M206-L227 HydrophobicContact CE-CD2 3.8Å; M206-L227 HydrophobicContact SD-CD2 3.65Å
207	L	97.3	Very high	93.6	Very high	33 Å²	33	64 Å²	64	17%	0.173	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-33.9	-180	-67.5	174.3	0	0	0	112.1	A203 N204 M205 R211 E525 Q527	A203-L207 VanDerWaalsContact O-CG 3.28Å; A203-L207 WeakPolarHBondContact O-CG 3.18Å; A203-L207 PolarHBondContact O-N 3.41Å; N204-L207 PolarHBondContact O-N 3Å; M205-L207 PolarHBondContact O-N 2.83Å; L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 3.43Å; L207-R211 PolarHBondContact O-NE 3.37Å; L207-E525 HydrophobicContact CD1-CB 4.33Å; L207-E525 HydrophobicContact CD1-CG 4.1Å; L207-Q527 HydrophobicContact CD2-CG 3.84Å
208	R	97.8	Very high	92.6	Very high	146 Å²	146	65 Å²	65	55%	0.551	33%	0.331	S	S	*	.	H	α-helix	trans	-70.9	-51.5	174.8	-178.5	178.5	173.2	-170.8	-4.9	111.5	N204 M205 M206 K210 R211 E212	N204-R208 VanDerWaalsContact O-CB 3.3Å; N204-R208 WeakPolarHBondContact O-CB 3.32Å; N204-R208 PolarHBondContact O-N 3.03Å; M205-R208 PolarHBondContact O-N 3.21Å; M206-R208 VanDerWaalsContact C-N 3.28Å; M206-R208 PolarHBondContact O-N 2.99Å; R208-K210 PolarHBondContact O-N 3.17Å; R208-R211 WeakPolarHBondContact O-CB 3.42Å; R208-R211 PolarHBondContact O-N 3.47Å; R208-E212 HydrophobicContact CG-CG 4.37Å; R208-E212 WeakPolarHBondContact CG-OE1 3.4Å; R208-E212 IonicContact CZ-OE1 3.09Å; R208-E212 IonicContact NE-OE1 3.1Å; R208-E212 PolarHBondContact NE-OE1 3.46Å; R208-E212 IonicContact NE-OE2 3.93Å; R208-E212 IonicContact NH2-OE1 3.87Å; R208-E212 PolarHBondContact NH2-OE1 3.05Å; R208-E212 WeakPolarHBondContact O-CG 3.36Å; R208-E212 PolarHBondContact O-N 2.76Å
209	M	96.6	Very high	92.1	Very high	24 Å²	24	71.7 Å²	71.7	12%	0.118	36%	0.362	C	S	.	.	H	α-helix	trans	-57.3	-38.9	178.7	-72.7	-179.1	-171.3	0	0	111.8	Y173 A176 K177 M180 M205 M206 E212 F213	Y173-M209 HydrophobicContact CD2-CE 3.65Å; Y173-M209 HydrophobicContact CE2-CE 3.41Å; Y173-M209 VanDerWaalsContact CE2-CE 3.41Å; Y173-M209 HydrophobicContact CG-CE 4.4Å; A176-M209 HydrophobicContact CB-CE 4.05Å; A176-M209 HydrophobicContact CB-SD 4.23Å; K177-M209 HydrophobicContact CD-CE 4.07Å; K177-M209 HydrophobicContact CD-SD 3.84Å; K177-M209 HydrophobicContact CG-CE 4.01Å; K177-M209 HydrophobicContact CG-SD 4.26Å; M180-M209 HydrophobicContact CE-CB 4.27Å; M180-M209 HydrophobicContact CG-CB 4.05Å; M180-M209 HydrophobicContact CG-SD 3.91Å; M180-M209 HydrophobicContact SD-CB 4.16Å; M205-M209 HydrophobicContact CB-CE 4.4Å; M205-M209 WeakPolarHBondContact O-CB 2.96Å; M205-M209 VanDerWaalsContact O-CG 3.25Å; M205-M209 WeakPolarHBondContact O-CG 3.27Å; M205-M209 PolarHBondContact O-N 2.87Å; M206-M209 PolarHBondContact O-N 3.44Å; M209-E212 PolarHBondContact O-N 3.47Å; M209-F213 WeakPolarHBondContact O-CB 3.3Å; M209-F213 PolarHBondContact O-N 3.03Å
210	K	92.8	Very high	91.8	Very high	33 Å²	33	74.3 Å²	74.3	14%	0.143	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-38.9	174.9	-175.5	172	174.8	172.3	0	112.9	M180 T188 M206 R208 F213 Q528	M180-K210 HydrophobicContact CE-CB 4.08Å; T188-K210 PolarHBondContact OG1-NZ 2.86Å; T188-K210 VanDerWaalsContact OG1-NZ 3.07Å; M206-K210 WeakPolarHBondContact O-CB 3.36Å; M206-K210 PolarHBondContact O-N 3.08Å; R208-K210 PolarHBondContact O-N 3.17Å; K210-F213 WeakPolarHBondContact O-CB 3.36Å; K210-F213 PolarHBondContact O-N 3.13Å; K210-Q528 PolarHBondContact NZ-O 3.07Å
211	R	93.6	Very high	91.5	Very high	198 Å²	198	77 Å²	77	75%	0.747	39%	0.392	S	S	*	.	H	α-helix	trans	-68.1	-36.2	176.3	-78.3	-179.7	-73.3	161.5	-4.9	112.5	L207 R208 F213	L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 3.43Å; L207-R211 PolarHBondContact O-NE 3.37Å; R208-R211 WeakPolarHBondContact O-CB 3.42Å; R208-R211 PolarHBondContact O-N 3.47Å; R211-F213 VanDerWaalsContact C-N 3.3Å
212	E	95.3	Very high	91.2	Very high	114 Å²	114	73.9 Å²	73.9	53%	0.533	38%	0.378	S	S	.	.	H	α-helix	trans	-83.3	-6.9	179.6	-67.2	173.7	174.3	0	0	112.9	R208 M209 A214	R208-E212 HydrophobicContact CG-CG 4.37Å; R208-E212 WeakPolarHBondContact CG-OE1 3.4Å; R208-E212 IonicContact CZ-OE1 3.09Å; R208-E212 IonicContact NE-OE1 3.1Å; R208-E212 PolarHBondContact NE-OE1 3.46Å; R208-E212 IonicContact NE-OE2 3.93Å; R208-E212 IonicContact NH2-OE1 3.87Å; R208-E212 PolarHBondContact NH2-OE1 3.05Å; R208-E212 WeakPolarHBondContact O-CG 3.36Å; R208-E212 PolarHBondContact O-N 2.76Å; M209-E212 PolarHBondContact O-N 3.47Å; E212-A214 PolarHBondContact O-N 3.37Å
213	F	90.9	Very high	91	Very high	112 Å²	112	75.9 Å²	75.9	49%	0.491	39%	0.39	S	S	.	.			trans	-69.7	104.4	-179.6	-174.4	-103.1	0	0	0	110.8	M209 K210 R211 G215	M209-F213 WeakPolarHBondContact O-CB 3.3Å; M209-F213 PolarHBondContact O-N 3.03Å; K210-F213 WeakPolarHBondContact O-CB 3.36Å; K210-F213 PolarHBondContact O-N 3.13Å; R211-F213 VanDerWaalsContact C-N 3.3Å; F213-G215 VanDerWaalsContact C-N 3.3Å; F213-G215 WeakPolarHBondContact CD1-O 3.42Å; F213-G215 VanDerWaalsContact CE1-CA 3.42Å; F213-G215 VanDerWaalsContact CE1-O 3.28Å; F213-G215 WeakPolarHBondContact CE1-O 3.38Å
214	A	82.5	Confident	90.9	Very high	106 Å²	106	75.9 Å²	75.9	88%	0.876	39%	0.39	S	S	*	.			trans	-82.8	-3.6	178.2	0	0	0	0	0	114	E212	E212-A214 PolarHBondContact O-N 3.37Å
215	G	81.1	Confident	90.7	Very high	40 Å²	40	72.6 Å²	72.6	41%	0.412	37%	0.372	S	S	.	.	S	Bend	trans	-78.2	170.4	-179.4	0	0	0	0	0	113.5	F213 Q217	F213-G215 VanDerWaalsContact C-N 3.3Å; F213-G215 WeakPolarHBondContact CD1-O 3.42Å; F213-G215 VanDerWaalsContact CE1-CA 3.42Å; F213-G215 VanDerWaalsContact CE1-O 3.28Å; F213-G215 WeakPolarHBondContact CE1-O 3.38Å; G215-Q217 PolarHBondContact O-N 3.15Å
216	T	77.4	Confident	90.7	Very high	129 Å²	129	71.1 Å²	71.1	79%	0.791	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-70.8	127.7	173.3	-57	0	0	0	0	109.5	N218	T216-N218 PolarHBondContact O-N 3.31Å
217	Q	73.9	Confident	90.7	Very high	90 Å²	90	71.1 Å²	71.1	42%	0.421	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-73.8	120.1	175.5	-71.6	-169.8	-3.3	0	0	110.3	G215 Q219	G215-Q217 PolarHBondContact O-N 3.15Å; Q217-Q219 PolarHBondContact O-N 3.05Å
218	N	77.9	Confident	90.8	Very high	100 Å²	100	69.6 Å²	69.6	54%	0.535	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-61.1	130.2	172.5	-70.1	-19.5	0	0	0	110	A184 T216 I220	A184-N218 PolarHBondContact O-ND2 2.92Å; T216-N218 PolarHBondContact O-N 3.31Å; N218-I220 HydrophobicContact CB-CD1 3.69Å; N218-I220 HydrophobicContact CB-CG1 3.94Å; N218-I220 PolarHBondContact O-N 3.13Å
219	Q	87.8	Confident	90.8	Very high	150 Å²	150	62.7 Å²	62.7	70%	0.701	33%	0.332	S	S	*	.			trans	-83	59.4	177.2	-64.8	-173.1	0.5	0	0	111.3	Q217 L533	Q217-Q219 PolarHBondContact O-N 3.05Å; Q219-L533 HydrophobicContact CB-CD1 4.28Å
220	I	92.4	Very high	90.9	Very high	54 Å²	54	61.7 Å²	61.7	28%	0.277	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-94.7	129.1	179.8	-61.9	164	0	0	0	109.3	A184 N218	A184-I220 WeakPolarHBondContact O-CD1 3.34Å; N218-I220 HydrophobicContact CB-CD1 3.69Å; N218-I220 HydrophobicContact CB-CG1 3.94Å; N218-I220 PolarHBondContact O-N 3.13Å
221	L	91.8	Very high	91.2	Very high	100 Å²	100	60.1 Å²	60.1	52%	0.524	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-63.8	132.8	173.4	-77.7	170.2	0	0	0	110.3	V223 L533	L221-V223 PolarHBondContact O-N 3.01Å; L221-V223 VanDerWaalsContact O-N 3.16Å; L221-L533 HydrophobicContact CD2-CB 4.47Å; L221-L533 HydrophobicContact CD2-CD2 3.75Å; L221-L533 HydrophobicContact CG-CD2 4.03Å
222	P	93.6	Very high	91.5	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.032	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-60.1	117.1	-178.7	-26	34.6	0	0	0	113.5	T188 P190 L529 K535	T188-P222 VanDerWaalsContact O-CB 3.29Å; T188-P222 WeakPolarHBondContact O-CB 3.32Å; T188-P222 VanDerWaalsContact O-CG 3.3Å; T188-P222 WeakPolarHBondContact O-CG 3.41Å; P190-P222 HydrophobicContact CG-CB 4.32Å; P190-P222 HydrophobicContact CG-CG 4.37Å; P222-L529 HydrophobicContact CG-CD1 4.14Å; P222-L529 HydrophobicContact CG-CD2 3.5Å; P222-L529 VanDerWaalsContact CG-CD2 3.5Å; P222-L529 HydrophobicContact CG-CG 4.48Å; P222-K535 PolarHBondContact O-NZ 2.98Å
223	V	94.8	Very high	91.6	Very high	42 Å²	42	46.7 Å²	46.7	26%	0.255	27%	0.267	S	S	.	.	S	Bend	trans	-73.5	-45	169.4	177.8	0	0	0	0	110.3	V10 Y186 L221 T544	V10-V223 HydrophobicContact CB-CG1 4.35Å; V10-V223 HydrophobicContact CG1-CG1 4.24Å; V10-V223 HydrophobicContact CG2-CG1 3.63Å; Y186-V223 HydrophobicContact CD1-CG2 4.24Å; Y186-V223 PolarHBondContact O-N 2.88Å; L221-V223 PolarHBondContact O-N 3.01Å; L221-V223 VanDerWaalsContact O-N 3.16Å; V223-T544 WeakPolarHBondContact O-CB 3.39Å
224	F	95.8	Very high	92	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	25%	0.245	C	C	.	.			trans	-88.3	125.9	175.4	-55.3	-77.3	0	0	0	110.5	V10 Y186 I189 P190 T544 L546 I575	V10-F224 HydrophobicContact CG1-CE1 4.5Å; V10-F224 HydrophobicContact CG1-CZ 3.94Å; V10-F224 HydrophobicContact CG2-CE1 3.93Å; V10-F224 HydrophobicContact CG2-CZ 4.19Å; Y186-F224 HydrophobicContact CD2-CE2 4.08Å; Y186-F224 HydrophobicContact CG-CE2 4.07Å; I189-F224 HydrophobicContact CD1-CB 4.18Å; I189-F224 HydrophobicContact CD1-CD2 4.36Å; I189-F224 HydrophobicContact CD1-CG 4.45Å; I189-F224 HydrophobicContact CG1-CB 4.04Å; I189-F224 HydrophobicContact CG2-CB 4.21Å; P190-F224 VanDerWaalsContact CD-O 3.27Å; P190-F224 WeakPolarHBondContact CD-O 3.25Å; F224-T544 HydrophobicContact CD1-CG2 3.91Å; F224-T544 HydrophobicContact CE1-CG2 4.34Å; F224-L546 HydrophobicContact CD1-CB 3.79Å; F224-L546 HydrophobicContact CE1-CB 4.1Å; F224-L546 HydrophobicContact CE1-CD1 4.25Å; F224-L546 HydrophobicContact CG-CB 4.34Å; F224-I575 HydrophobicContact CE1-CB 3.98Å; F224-I575 HydrophobicContact CE1-CG1 3.94Å; F224-I575 HydrophobicContact CE1-CG2 4.17Å
225	D	95.4	Very high	92.8	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	20%	0.204	C	C	.	.	S	Bend	trans	-83.4	-30.1	174.8	-66.7	-82.2	0	0	0	111.7	K535 R537 R543 T544	D225-K535 IonicContact OD1-NZ 3.78Å; D225-K535 PolarHBondContact OD1-NZ 3.35Å; D225-K535 IonicContact OD2-NZ 3.2Å; D225-K535 PolarHBondContact OD2-NZ 2.82Å; D225-R537 VanDerWaalsContact CG-NH2 3.35Å; D225-R537 IonicContact OD1-CZ 2.72Å; D225-R537 IonicContact OD1-NE 3.61Å; D225-R537 IonicContact OD1-NH2 3.82Å; D225-R537 PolarHBondContact OD1-NH2 3.24Å; D225-R543 HydrophobicContact CB-CB 4.12Å; D225-R543 WeakPolarHBondContact OD2-CA 3.46Å; D225-T544 PolarHBondContact N-O 3.45Å; D225-T544 PolarHBondContact OD2-N 3.34Å
226	T	97.4	Very high	93.6	Very high	10 Å²	10	36 Å²	36	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	140.6	-172.5	-60.2	0	0	0	0	110.9	Q191 F193 T544 T545 L546	Q191-T226 HydrophobicContact CB-CG2 4.48Å; Q191-T226 CarbonylContact O-C 3.26Å; Q191-T226 WeakPolarHBondContact O-CA 3.02Å; F193-T226 HydrophobicContact CD2-CG2 3.48Å; F193-T226 VanDerWaalsContact CD2-CG2 3.48Å; F193-T226 HydrophobicContact CE2-CG2 3.74Å; T226-T544 PolarHBondContact N-O 3.22Å; T226-T545 HydrophobicContact CG2-CG2 4.16Å; T226-T545 CarbonylContact O-C 3.56Å; T226-T545 WeakPolarHBondContact O-CA 3.47Å; T226-L546 PolarHBondContact O-N 2.86Å
227	L	98.9	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129	165	167.5	63.2	0	0	0	108	L179 I189 Q191 I192 F193 M206 L229 L546 F548	L179-L227 HydrophobicContact CD1-CD2 4.13Å; L179-L227 HydrophobicContact CD2-CD1 4.11Å; L179-L227 HydrophobicContact CD2-CD2 4.16Å; I189-L227 HydrophobicContact CD1-CB 4.13Å; I189-L227 HydrophobicContact CG2-CB 3.88Å; Q191-L227 PolarHBondContact O-N 2.82Å; I192-L227 CarbonylContact C-O 3.34Å; I192-L227 WeakPolarHBondContact CA-O 3.47Å; I192-L227 HydrophobicContact CG1-CB 4.4Å; I192-L227 HydrophobicContact CG1-CD2 4.28Å; I192-L227 HydrophobicContact CG2-CB 4.49Å; I192-L227 HydrophobicContact CG2-CD2 4.01Å; I192-L227 HydrophobicContact CG2-CG 4.22Å; F193-L227 PolarHBondContact N-O 3.33Å; M206-L227 HydrophobicContact CE-CD2 3.8Å; M206-L227 HydrophobicContact SD-CD2 3.65Å; L227-L229 HydrophobicContact CD1-CD2 4.03Å; L227-L229 HydrophobicContact CD1-CG 4.26Å; L227-L229 HydrophobicContact CD2-CD1 4.29Å; L227-L229 HydrophobicContact CD2-CD2 4.09Å; L227-L229 HydrophobicContact CD2-CG 4.07Å; L227-L229 HydrophobicContact CG-CD2 4.22Å; L227-L229 HydrophobicContact CG-CG 4.01Å; L227-L546 CarbonylContact C-O 3.58Å; L227-L546 WeakPolarHBondContact CA-O 3.38Å; L227-L546 HydrophobicContact CD1-CB 4.31Å; L227-L546 HydrophobicContact CD1-CD2 4.1Å; L227-L546 HydrophobicContact CD1-CG 4.07Å; L227-F548 HydrophobicContact CD1-CB 4.16Å
228	L	98.9	Very high	95.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.1	167.8	170.4	57	0	0	0	108.7	F193 T500 L503 W508 T545 L546 V547 F548	F193-L228 HydrophobicContact CB-CD1 4.12Å; F193-L228 CarbonylContact O-C 3.48Å; F193-L228 WeakPolarHBondContact O-CA 3.45Å; L228-T500 HydrophobicContact CD2-CG2 3.86Å; L228-T500 WeakPolarHBondContact CD2-OG1 3.16Å; L228-L503 HydrophobicContact CB-CD2 4.29Å; L228-L503 HydrophobicContact CD1-CD2 3.91Å; L228-L503 HydrophobicContact CD2-CD2 3.93Å; L228-L503 HydrophobicContact CG-CD2 4.26Å; L228-W508 HydrophobicContact CD1-CH2 3.48Å; L228-W508 VanDerWaalsContact CD1-CH2 3.48Å; L228-W508 HydrophobicContact CD1-CZ2 3.74Å; L228-T545 HydrophobicContact CB-CG2 4.4Å; L228-L546 PolarHBondContact N-O 3.27Å; L228-V547 HydrophobicContact CB-CG2 4.5Å; L228-V547 HydrophobicContact CD2-CG1 4.16Å; L228-V547 HydrophobicContact CD2-CG2 4.48Å; L228-V547 HydrophobicContact CG-CG1 4.34Å; L228-V547 CarbonylContact O-C 3.44Å; L228-F548 PolarHBondContact O-N 3.33Å
229	L	98.9	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.3	173.7	-64.3	165.5	0	0	0	109.6	L179 I192 F193 G194 K195 A199 V202 A203 L227 F523 F548 L550	L179-L229 HydrophobicContact CD1-CD2 4.1Å; I192-L229 HydrophobicContact CG2-CD1 3.88Å; I192-L229 HydrophobicContact CG2-CG 4.47Å; F193-L229 PolarHBondContact O-N 2.97Å; G194-L229 CarbonylContact C-O 3.54Å; G194-L229 WeakPolarHBondContact CA-O 3.41Å; K195-L229 PolarHBondContact N-O 3.45Å; A199-L229 HydrophobicContact CB-CB 3.57Å; A199-L229 WeakPolarHBondContact O-CD1 3.46Å; V202-L229 HydrophobicContact CB-CD1 4.18Å; V202-L229 HydrophobicContact CB-CD2 4.36Å; V202-L229 HydrophobicContact CG1-CD1 3.97Å; V202-L229 HydrophobicContact CG1-CD2 3.74Å; A203-L229 HydrophobicContact CB-CD1 3.9Å; L227-L229 HydrophobicContact CD1-CD2 4.03Å; L227-L229 HydrophobicContact CD1-CG 4.26Å; L227-L229 HydrophobicContact CD2-CD1 4.29Å; L227-L229 HydrophobicContact CD2-CD2 4.09Å; L227-L229 HydrophobicContact CD2-CG 4.07Å; L227-L229 HydrophobicContact CG-CD2 4.22Å; L227-L229 HydrophobicContact CG-CG 4.01Å; L229-F523 HydrophobicContact CD1-CZ 4.37Å; L229-F548 HydrophobicContact CD2-CB 3.97Å; L229-F548 HydrophobicContact CD2-CG 4.43Å; L229-L550 HydrophobicContact CB-CD1 4.47Å
230	L	98.9	Very high	97.3	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.6	-175.4	-165.2	67.5	0	0	0	111.5	K195 V234 L499 F548 F549 L550	K195-L230 HydrophobicContact CB-CD1 3.9Å; K195-L230 HydrophobicContact CG-CD1 4.32Å; L230-V234 HydrophobicContact CD1-CG1 4.44Å; L230-L499 HydrophobicContact CD1-CD1 4.33Å; L230-F548 PolarHBondContact N-O 3.08Å; L230-F549 HydrophobicContact CD2-CD1 4.41Å; L230-F549 HydrophobicContact CD2-CE1 4.02Å; L230-F549 WeakPolarHBondContact O-CA 3.37Å; L230-L550 PolarHBondContact O-N 3.42Å
231	D	98.9	Very high	97.6	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.9	175.5	-78.7	27.5	0	0	0	111.3	Y164 K195 G196 D197 C198 A199 N233 V234	Y164-D231 VanDerWaalsContact OH-CB 3.29Å; Y164-D231 WeakPolarHBondContact OH-CB 3.44Å; Y164-D231 VanDerWaalsContact OH-CG 3.27Å; Y164-D231 PolarHBondContact OH-OD2 3.03Å; K195-D231 PolarHBondContact O-N 3.29Å; K195-D231 VanDerWaalsContact O-N 3.07Å; G196-D231 VanDerWaalsContact C-OD2 3.31Å; G196-D231 VanDerWaalsContact CA-CG 3.41Å; G196-D231 WeakPolarHBondContact CA-OD2 3.36Å; D197-D231 PolarHBondContact N-OD2 3.11Å; C198-D231 WeakPolarHBondContact CB-OD1 3.3Å; C198-D231 WeakPolarHBondContact CB-OD2 3.46Å; C198-D231 PolarHBondContact N-OD1 2.93Å; C198-D231 PolarHBondContact N-OD2 3.14Å; A199-D231 WeakPolarHBondContact CB-OD1 3.32Å; A199-D231 PolarHBondContact N-OD1 3.34Å; D231-N233 WeakPolarHBondContact CB-OD1 3.27Å; D231-N233 PolarHBondContact O-N 3.17Å; D231-V234 HydrophobicContact CB-CG2 3.87Å; D231-V234 VanDerWaalsContact O-CB 3.29Å; D231-V234 WeakPolarHBondContact O-CB 3.27Å; D231-V234 PolarHBondContact O-N 2.93Å; D231-V234 VanDerWaalsContact O-N 3.14Å
232	R	98.7	Very high	97.9	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.008	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-60.4	-33.5	175	-176	69.1	-81.1	164.8	-11.6	112.3	F160 V234 D235 L550 G552 E557 W587	F160-R232 HydrophobicContact CD2-CB 3.87Å; F160-R232 HydrophobicContact CD2-CG 3.88Å; F160-R232 HydrophobicContact CE2-CB 3.95Å; F160-R232 HydrophobicContact CE2-CG 3.85Å; R232-V234 PolarHBondContact O-N 2.97Å; R232-D235 VanDerWaalsContact CZ-O 3.29Å; R232-D235 PolarHBondContact NE-O 3.38Å; R232-D235 PolarHBondContact NH2-O 3.3Å; R232-D235 IonicContact NH2-OD2 2.86Å; R232-D235 PolarHBondContact NH2-OD2 3.02Å; R232-D235 CarbonylContact O-C 3.42Å; R232-D235 PolarHBondContact O-N 3.33Å; R232-D235 VanDerWaalsContact O-N 3.11Å; R232-L550 WeakPolarHBondContact CB-O 3.26Å; R232-L550 PolarHBondContact N-O 3.01Å; R232-G552 VanDerWaalsContact CD-O 3.32Å; R232-G552 WeakPolarHBondContact CD-O 3.25Å; R232-G552 PolarHBondContact NH1-O 3.46Å; R232-E557 IonicContact CZ-OE1 2.87Å; R232-E557 VanDerWaalsContact CZ-OE1 3.27Å; R232-E557 IonicContact CZ-OE2 3.84Å; R232-E557 IonicContact NH1-OE1 3.36Å; R232-E557 PolarHBondContact NH1-OE1 3.43Å; R232-E557 IonicContact NH1-OE2 2.74Å; R232-E557 PolarHBondContact NH1-OE2 3.19Å; R232-E557 IonicContact NH2-OE1 3.62Å; R232-E557 PolarHBondContact NH2-OE1 2.95Å; R232-W587 HydrophobicContact CG-CZ2 4.29Å
233	N	97.9	Very high	98.2	Very high	28 Å²	28	7 Å²	7	15%	0.15	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-69.9	-11.3	-179.8	81.7	-16	0	0	0	114	Y164 D231 D235 L236	Y164-N233 HydrophobicContact CD1-CB 4.27Å; Y164-N233 HydrophobicContact CE1-CB 3.83Å; Y164-N233 VanDerWaalsContact CE1-CG 3.48Å; Y164-N233 VanDerWaalsContact CE1-ND2 3.31Å; Y164-N233 WeakPolarHBondContact CE1-ND2 3.43Å; D231-N233 WeakPolarHBondContact CB-OD1 3.27Å; D231-N233 PolarHBondContact O-N 3.17Å; N233-D235 VanDerWaalsContact C-N 3.26Å; N233-L236 HydrophobicContact CB-CD2 4.23Å
234	V	98.7	Very high	98.4	Very high	6 Å²	6	5.7 Å²	5.7	4%	0.036	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-69.6	-30.4	172.2	173.7	0	0	0	0	110.8	K195 L230 D231 R232 L495 L499 L518	K195-V234 HydrophobicContact CG-CB 4.49Å; K195-V234 HydrophobicContact CG-CG1 3.82Å; K195-V234 HydrophobicContact CG-CG2 3.85Å; L230-V234 HydrophobicContact CD1-CG1 4.44Å; D231-V234 HydrophobicContact CB-CG2 3.87Å; D231-V234 VanDerWaalsContact O-CB 3.29Å; D231-V234 WeakPolarHBondContact O-CB 3.27Å; D231-V234 PolarHBondContact O-N 2.93Å; D231-V234 VanDerWaalsContact O-N 3.14Å; R232-V234 PolarHBondContact O-N 2.97Å; V234-L495 WeakPolarHBondContact O-CD2 3.48Å; V234-L499 HydrophobicContact CG1-CD1 3.71Å; V234-L518 HydrophobicContact CG1-CB 4.37Å; V234-L518 HydrophobicContact CG1-CD1 4.13Å
235	D	98.8	Very high	98.5	Very high	4 Å²	4	5.6 Å²	5.6	2%	0.021	3%	0.031	C	C	.	.			trans	-137.3	84.2	177.2	177.5	12.9	0	0	0	109.9	R232 N233 L237 T238 L495 S496	R232-D235 VanDerWaalsContact CZ-O 3.29Å; R232-D235 PolarHBondContact NE-O 3.38Å; R232-D235 PolarHBondContact NH2-O 3.3Å; R232-D235 IonicContact NH2-OD2 2.86Å; R232-D235 PolarHBondContact NH2-OD2 3.02Å; R232-D235 CarbonylContact O-C 3.42Å; R232-D235 PolarHBondContact O-N 3.33Å; R232-D235 VanDerWaalsContact O-N 3.11Å; N233-D235 VanDerWaalsContact C-N 3.26Å; D235-L237 VanDerWaalsContact C-N 3.3Å; D235-L237 PolarHBondContact OD1-N 3.5Å; D235-T238 VanDerWaalsContact CG-OG1 3.24Å; D235-T238 PolarHBondContact OD1-N 2.93Å; D235-T238 VanDerWaalsContact OD1-N 3.15Å; D235-T238 PolarHBondContact OD1-OG1 3.48Å; D235-T238 VanDerWaalsContact OD2-CB 3.32Å; D235-T238 WeakPolarHBondContact OD2-CB 3.4Å; D235-T238 PolarHBondContact OD2-OG1 3.36Å; D235-L495 HydrophobicContact CB-CB 4.09Å; D235-L495 HydrophobicContact CB-CD2 4.11Å; D235-L495 HydrophobicContact CB-CG 4.19Å; D235-L495 PolarHBondContact OD2-N 3.25Å; D235-S496 WeakPolarHBondContact OD2-CB 3.33Å; D235-S496 PolarHBondContact OD2-N 3.44Å; D235-S496 PolarHBondContact OD2-OG 2.92Å
236	L	98.7	Very high	98.7	Very high	22 Å²	22	5.3 Å²	5.3	12%	0.115	3%	0.029	C	C	.	.			trans	-77.5	-15.9	175.2	-66	173.2	0	0	0	112.9	F160 N233 L240 V415 L452 W587	F160-L236 HydrophobicContact CE2-CD2 4.34Å; F160-L236 HydrophobicContact CZ-CD2 4.14Å; N233-L236 HydrophobicContact CB-CD2 4.23Å; L236-L240 WeakPolarHBondContact O-CD1 3.49Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-V415 HydrophobicContact CB-CG1 4.38Å; L236-V415 HydrophobicContact CB-CG2 4.05Å; L236-V415 HydrophobicContact CD1-CG2 4.49Å; L236-L452 HydrophobicContact CB-CD2 4.12Å; L236-L452 HydrophobicContact CD1-CD2 4.49Å; L236-L452 HydrophobicContact CD2-CD2 4.29Å; L236-W587 HydrophobicContact CB-CH2 4.21Å; L236-W587 HydrophobicContact CD2-CH2 3.54Å; L236-W587 HydrophobicContact CD2-CZ2 3.67Å; L236-W587 HydrophobicContact CG-CH2 4.49Å
237	L	98.8	Very high	98.8	Very high	5 Å²	5	5.2 Å²	5.2	3%	0.026	3%	0.028	C	C	.	.	S	Bend	trans	-78.6	-48.4	-171.6	-179.5	58.4	0	0	0	111.5	D235 L240 A241 M412 V415 Y463 Y492	D235-L237 VanDerWaalsContact C-N 3.3Å; D235-L237 PolarHBondContact OD1-N 3.5Å; L237-L240 WeakPolarHBondContact O-CB 3.4Å; L237-L240 PolarHBondContact O-N 3.02Å; L237-A241 PolarHBondContact O-N 2.86Å; L237-M412 HydrophobicContact CD1-CE 4.2Å; L237-M412 HydrophobicContact CD1-CG 3.62Å; L237-M412 HydrophobicContact CD1-SD 4.27Å; L237-V415 HydrophobicContact CB-CG1 3.98Å; L237-V415 HydrophobicContact CD1-CG1 4.49Å; L237-Y463 HydrophobicContact CD2-CE2 3.69Å; L237-Y463 WeakPolarHBondContact CD2-OH 3.37Å; L237-Y492 HydrophobicContact CD2-CE2 3.78Å
238	T	98.9	Very high	98.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-46	-173.6	-64.5	0	0	0	0	114.1	D235 L240 Y489 Y492 P494 E557	D235-T238 VanDerWaalsContact CG-OG1 3.24Å; D235-T238 PolarHBondContact OD1-N 2.93Å; D235-T238 VanDerWaalsContact OD1-N 3.15Å; D235-T238 PolarHBondContact OD1-OG1 3.48Å; D235-T238 VanDerWaalsContact OD2-CB 3.32Å; D235-T238 WeakPolarHBondContact OD2-CB 3.4Å; D235-T238 PolarHBondContact OD2-OG1 3.36Å; T238-L240 VanDerWaalsContact C-N 3.28Å; T238-L240 PolarHBondContact O-N 3.42Å; T238-Y489 HydrophobicContact CG2-CE2 3.93Å; T238-Y489 WeakPolarHBondContact CG2-OH 3.42Å; T238-Y489 PolarHBondContact O-OH 3.27Å; T238-Y489 VanDerWaalsContact O-OH 3.04Å; T238-Y492 WeakPolarHBondContact OG1-CE1 3.34Å; T238-Y492 PolarHBondContact OG1-OH 2.97Å; T238-P494 HydrophobicContact CG2-CB 3.85Å; T238-P494 HydrophobicContact CG2-CG 4.05Å; T238-P494 WeakPolarHBondContact OG1-CA 3.3Å; T238-E557 HydrophobicContact CG2-CG 3.53Å
239	P	98.7	Very high	98.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.7	-178.6	-16.4	31.3	0	0	0	114.1	T554 I582 G584 W587	P239-T554 HydrophobicContact CB-CG2 3.99Å; P239-T554 HydrophobicContact CG-CG2 4.34Å; P239-I582 HydrophobicContact CB-CD1 4.2Å; P239-I582 HydrophobicContact CG-CD1 4.29Å; P239-G584 WeakPolarHBondContact O-CA 3.34Å; P239-G584 PolarHBondContact O-N 3.35Å; P239-W587 HydrophobicContact CB-CD2 4.49Å; P239-W587 HydrophobicContact CB-CE3 3.67Å; P239-W587 HydrophobicContact CB-CZ3 3.8Å; P239-W587 HydrophobicContact CG-CE3 4.25Å; P239-W587 HydrophobicContact CG-CZ3 4.01Å
240	L	98.8	Very high	98.8	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-36.1	-179.8	-61	172.1	0	0	0	111.6	L236 L237 T238 R408 M412 V415 L452 W587 V588	L236-L240 WeakPolarHBondContact O-CD1 3.49Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L237-L240 WeakPolarHBondContact O-CB 3.4Å; L237-L240 PolarHBondContact O-N 3.02Å; T238-L240 VanDerWaalsContact C-N 3.28Å; T238-L240 PolarHBondContact O-N 3.42Å; L240-R408 PolarHBondContact O-NE 3.49Å; L240-R408 PolarHBondContact O-NH2 2.68Å; L240-M412 HydrophobicContact CB-CB 4.23Å; L240-M412 HydrophobicContact CD1-CB 4.05Å; L240-V415 HydrophobicContact CD1-CG2 4.31Å; L240-L452 HydrophobicContact CD1-CD2 3.94Å; L240-L452 HydrophobicContact CD2-CD2 4.18Å; L240-L452 HydrophobicContact CG-CD2 4.42Å; L240-W587 HydrophobicContact CD2-CE3 4.11Å; L240-W587 HydrophobicContact CD2-CZ3 3.77Å; L240-W587 HydrophobicContact CG-CZ3 3.98Å; L240-V588 HydrophobicContact CD2-CG2 4.3Å
241	A	98.6	Very high	98.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-64.3	142.3	179.9	0	0	0	0	0	111.7	L237 Q243 M381 R408 Y489	L237-A241 PolarHBondContact O-N 2.86Å; A241-Q243 PolarHBondContact O-N 2.95Å; A241-M381 HydrophobicContact CB-CE 3.54Å; A241-M381 HydrophobicContact CB-SD 4.5Å; A241-R408 PolarHBondContact O-NH2 3.31Å; A241-Y489 HydrophobicContact CB-CD1 3.87Å; A241-Y489 HydrophobicContact CB-CE1 3.68Å
242	T	98.8	Very high	98.7	Very high	14 Å²	14	7.1 Å²	7.1	9%	0.086	4%	0.037	C	C	.	.	P	Polyproline II helix	trans	-63.9	120.3	172.8	-64.9	0	0	0	0	109.6	L244 F370 E377 Y489	T242-L244 HydrophobicContact CG2-CD2 4.3Å; T242-F370 HydrophobicContact CG2-CE2 3.93Å; T242-F370 HydrophobicContact CG2-CZ 4.13Å; T242-E377 WeakPolarHBondContact CB-OE2 3.29Å; T242-E377 PolarHBondContact N-OE2 3.43Å; T242-E377 PolarHBondContact OG1-OE1 2.88Å; T242-E377 PolarHBondContact OG1-OE2 2.89Å; T242-Y489 VanDerWaalsContact O-CD1 3.3Å; T242-Y489 WeakPolarHBondContact O-CD1 3.31Å
243	Q	98.8	Very high	98.7	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.049	C	C	.	.	P	Polyproline II helix	trans	-69.4	137.3	178	-62.6	173.4	80.4	0	0	111.5	A241 L249 E252 Y489 A556	A241-Q243 PolarHBondContact O-N 2.95Å; Q243-L249 WeakPolarHBondContact O-CD2 3.36Å; Q243-L249 VanDerWaalsContact O-CG 3.32Å; Q243-L249 WeakPolarHBondContact O-CG 3.38Å; Q243-E252 HydrophobicContact CB-CG 4.1Å; Q243-E252 HydrophobicContact CG-CG 4.44Å; Q243-E252 PolarHBondContact N-OE1 2.8Å; Q243-E252 PolarHBondContact NE2-OE1 2.81Å; Q243-Y489 HydrophobicContact CB-CE1 4.43Å; Q243-Y489 HydrophobicContact CG-CE1 4.08Å; Q243-A556 HydrophobicContact CB-CB 4.14Å; Q243-A556 HydrophobicContact CG-CB 3.84Å
244	L	98.8	Very high	98.7	Very high	13 Å²	13	10.7 Å²	10.7	7%	0.068	5%	0.052	C	C	.	.			trans	-115.3	8.6	-175.3	-58.7	-179.6	0	0	0	114.4	T242 F304 F370 L374 V488 S490	T242-L244 HydrophobicContact CG2-CD2 4.3Å; L244-F304 PolarHBondContact O-N 3.42Å; L244-F370 HydrophobicContact CD2-CZ 4.04Å; L244-L374 HydrophobicContact CD1-CD1 4.2Å; L244-L374 HydrophobicContact CD1-CD2 4.35Å; L244-L374 HydrophobicContact CD2-CD1 4.4Å; L244-L374 HydrophobicContact CD2-CD2 4.48Å; L244-V488 PolarHBondContact N-O 2.92Å; L244-S490 WeakPolarHBondContact CD1-OG 3.33Å
245	T	98.9	Very high	98.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-80	162.3	168.1	61.6	0	0	0	0	111.3	G248 L249 K302 V488 A559	T245-G248 PolarHBondContact O-N 2.74Å; T245-G248 PolarHBondContact OG1-N 3.37Å; T245-G248 VanDerWaalsContact OG1-N 3.11Å; T245-L249 PolarHBondContact O-N 2.86Å; T245-K302 CarbonylContact C-O 3.6Å; T245-K302 WeakPolarHBondContact CA-O 3.25Å; T245-K302 WeakPolarHBondContact CB-O 3.49Å; T245-V488 HydrophobicContact CG2-CB 3.72Å; T245-V488 HydrophobicContact CG2-CG1 3.79Å; T245-A559 HydrophobicContact CG2-CB 4.04Å
246	Y	98.9	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.5	-50.3	177.5	-177	-108.9	0	0	0	112.4	I250 Y296 I299 K302 F304 V307 H354 V357 A358 I361	Y246-I250 HydrophobicContact CD1-CD1 3.92Å; Y246-I250 HydrophobicContact CE1-CD1 3.5Å; Y246-I250 HydrophobicContact CE2-CD1 4.39Å; Y246-I250 VanDerWaalsContact O-CG1 3.3Å; Y246-I250 WeakPolarHBondContact O-CG1 3.19Å; Y246-I250 PolarHBondContact O-N 2.83Å; Y246-Y296 HydrophobicContact CD1-CD2 4.35Å; Y246-Y296 HydrophobicContact CD1-CE2 4.02Å; Y246-Y296 AromaticContact CE1-CD2 3.97Å; Y246-Y296 HydrophobicContact CE1-CD2 3.97Å; Y246-Y296 AromaticContact CE1-CE2 3.84Å; Y246-Y296 HydrophobicContact CE1-CE2 3.84Å; Y246-I299 VanDerWaalsContact CB-O 3.29Å; Y246-I299 WeakPolarHBondContact CB-O 3.09Å; Y246-I299 HydrophobicContact CD1-CD1 3.97Å; Y246-I299 HydrophobicContact CD1-CG1 3.75Å; Y246-I299 HydrophobicContact CE1-CD1 3.63Å; Y246-I299 HydrophobicContact CE1-CG1 3.88Å; Y246-I299 HydrophobicContact CG-CG1 4.39Å; Y246-K302 PolarHBondContact N-O 2.74Å; Y246-F304 HydrophobicContact CD2-CD2 4.06Å; Y246-F304 HydrophobicContact CD2-CE2 4.2Å; Y246-V307 HydrophobicContact CD2-CB 4.48Å; Y246-V307 HydrophobicContact CD2-CG1 3.95Å; Y246-V307 HydrophobicContact CD2-CG2 3.88Å; Y246-V307 HydrophobicContact CE2-CG1 4.18Å; Y246-V307 HydrophobicContact CG-CG2 4.06Å; Y246-H354 AromaticContact CE1-ND1 3.64Å; Y246-H354 AromaticContact CZ-ND1 3.65Å; Y246-H354 PolarHBondContact OH-ND1 2.93Å; Y246-V357 HydrophobicContact CE2-CG1 4.15Å; Y246-V357 VanDerWaalsContact OH-CB 3.23Å; Y246-V357 WeakPolarHBondContact OH-CB 3.42Å; Y246-V357 WeakPolarHBondContact OH-CG1 3.38Å; Y246-A358 HydrophobicContact CE2-CB 4.4Å; Y246-I361 HydrophobicContact CD2-CD1 4.07Å; Y246-I361 HydrophobicContact CE2-CD1 3.89Å
247	E	98.9	Very high	98.5	Very high	9 Å²	9	15.2 Å²	15.2	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-66.8	-37.4	176.7	-177.2	170.1	-132.6	0	0	112	I250 D251 I256 Y296 R300 Y555 R562	E247-I250 PolarHBondContact O-N 3.37Å; E247-D251 PolarHBondContact O-N 3.19Å; E247-I256 HydrophobicContact CG-CD1 3.82Å; E247-Y296 VanDerWaalsContact CD-OH 3.25Å; E247-Y296 WeakPolarHBondContact CG-OH 3.45Å; E247-Y296 PolarHBondContact OE1-OH 2.9Å; E247-R300 HydrophobicContact CB-CB 3.98Å; E247-R300 WeakPolarHBondContact CB-O 3.43Å; E247-R300 PolarHBondContact N-O 3.02Å; E247-R300 VanDerWaalsContact N-O 3.07Å; E247-Y555 HydrophobicContact CG-CD1 3.5Å; E247-Y555 HydrophobicContact CG-CD2 4.33Å; E247-Y555 HydrophobicContact CG-CE1 3.98Å; E247-Y555 HydrophobicContact CG-CG 3.69Å; E247-Y555 WeakPolarHBondContact OE1-CE1 3.37Å; E247-Y555 WeakPolarHBondContact OE2-CD1 3.22Å; E247-R562 IonicContact OE2-NH1 3.41Å
248	G	98.8	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.3	-45.9	175.4	0	0	0	0	0	113.1	T245 D251 E252	T245-G248 PolarHBondContact O-N 2.74Å; T245-G248 PolarHBondContact OG1-N 3.37Å; T245-G248 VanDerWaalsContact OG1-N 3.11Å; G248-D251 PolarHBondContact O-N 2.92Å; G248-E252 WeakPolarHBondContact O-CG 3.46Å; G248-E252 PolarHBondContact O-N 3.42Å
249	L	98.9	Very high	98.3	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-69.8	-33.8	178.1	-75.3	171.3	0	0	0	112.9	Q243 T245 D251 I253 F304 I361 T365 F370	Q243-L249 WeakPolarHBondContact O-CD2 3.36Å; Q243-L249 VanDerWaalsContact O-CG 3.32Å; Q243-L249 WeakPolarHBondContact O-CG 3.38Å; T245-L249 PolarHBondContact O-N 2.86Å; L249-D251 VanDerWaalsContact C-N 3.25Å; L249-D251 PolarHBondContact O-N 2.96Å; L249-I253 HydrophobicContact CB-CD1 4.46Å; L249-I253 WeakPolarHBondContact O-CB 3.49Å; L249-I253 WeakPolarHBondContact O-CD1 3.47Å; L249-I253 VanDerWaalsContact O-CG1 3.26Å; L249-I253 WeakPolarHBondContact O-CG1 3.46Å; L249-I253 PolarHBondContact O-N 3.36Å; L249-I253 VanDerWaalsContact O-N 3.08Å; L249-F304 HydrophobicContact CD1-CB 3.47Å; L249-F304 VanDerWaalsContact CD1-CB 3.47Å; L249-F304 HydrophobicContact CD1-CD1 3.97Å; L249-F304 HydrophobicContact CD1-CD2 4.02Å; L249-F304 HydrophobicContact CD1-CG 3.54Å; L249-I361 HydrophobicContact CB-CD1 4.28Å; L249-I361 HydrophobicContact CB-CG2 3.88Å; L249-I361 HydrophobicContact CD1-CG2 3.63Å; L249-I361 HydrophobicContact CG-CG2 4.29Å; L249-T365 HydrophobicContact CD1-CG2 4.03Å; L249-T365 HydrophobicContact CD2-CG2 4.23Å; L249-F370 HydrophobicContact CD2-CE2 4.42Å; L249-F370 HydrophobicContact CD2-CZ 4.34Å
250	I	98.9	Very high	98.2	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-44.5	170.7	-66.7	168.4	0	0	0	109.6	Y246 E247 Y254 G255 I256 V261 L289 Y296 V357 I361	Y246-I250 HydrophobicContact CD1-CD1 3.92Å; Y246-I250 HydrophobicContact CE1-CD1 3.5Å; Y246-I250 HydrophobicContact CE2-CD1 4.39Å; Y246-I250 VanDerWaalsContact O-CG1 3.3Å; Y246-I250 WeakPolarHBondContact O-CG1 3.19Å; Y246-I250 PolarHBondContact O-N 2.83Å; E247-I250 PolarHBondContact O-N 3.37Å; I250-Y254 WeakPolarHBondContact O-CA 3.05Å; I250-Y254 WeakPolarHBondContact O-CB 3.45Å; I250-Y254 PolarHBondContact O-N 2.91Å; I250-G255 PolarHBondContact O-N 3.06Å; I250-I256 HydrophobicContact CB-CD1 4.2Å; I250-I256 HydrophobicContact CG2-CD1 3.9Å; I250-I256 HydrophobicContact CG2-CG1 3.81Å; I250-V261 HydrophobicContact CG2-CB 4.17Å; I250-V261 HydrophobicContact CG2-CG1 4.41Å; I250-V261 HydrophobicContact CG2-CG2 3.79Å; I250-L289 HydrophobicContact CD1-CD1 4.31Å; I250-L289 HydrophobicContact CG2-CD1 3.98Å; I250-Y296 HydrophobicContact CD1-CE2 4.35Å; I250-V357 HydrophobicContact CD1-CG1 3.91Å; I250-V357 HydrophobicContact CG1-CG1 3.86Å; I250-I361 HydrophobicContact CG1-CD1 3.79Å
251	D	98.8	Very high	98.2	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.053	10%	0.101	C	C	.	.	H	α-helix	trans	-70.2	-40.6	-178.7	-171	52.4	0	0	0	113.3	E247 G248 L249 I253 G255 I256 Y555 N583	E247-D251 PolarHBondContact O-N 3.19Å; G248-D251 PolarHBondContact O-N 2.92Å; L249-D251 VanDerWaalsContact C-N 3.25Å; L249-D251 PolarHBondContact O-N 2.96Å; D251-I253 PolarHBondContact O-N 2.93Å; D251-G255 VanDerWaalsContact O-CA 3.22Å; D251-G255 WeakPolarHBondContact O-CA 3.47Å; D251-G255 PolarHBondContact O-N 3.07Å; D251-I256 HydrophobicContact CB-CD1 4.03Å; D251-I256 HydrophobicContact CB-CG1 4.02Å; D251-I256 PolarHBondContact OD1-N 2.77Å; D251-Y555 HydrophobicContact CB-CD2 3.68Å; D251-Y555 HydrophobicContact CB-CE2 3.92Å; D251-N583 VanDerWaalsContact CG-ND2 3.29Å; D251-N583 PolarHBondContact O-ND2 2.89Å; D251-N583 WeakPolarHBondContact OD2-CB 3.19Å; D251-N583 PolarHBondContact OD2-ND2 2.7Å
252	E	98.3	Very high	98.1	Very high	30 Å²	30	27 Å²	27	14%	0.14	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-41	176.3	-73.3	-72.1	-178.5	0	0	112.4	Q243 G248 R408	Q243-E252 HydrophobicContact CB-CG 4.1Å; Q243-E252 HydrophobicContact CG-CG 4.44Å; Q243-E252 PolarHBondContact N-OE1 2.8Å; Q243-E252 PolarHBondContact NE2-OE1 2.81Å; G248-E252 WeakPolarHBondContact O-CG 3.46Å; G248-E252 PolarHBondContact O-N 3.42Å; E252-R408 IonicContact OE1-CZ 3.5Å; E252-R408 IonicContact OE1-NH1 2.87Å; E252-R408 IonicContact OE1-NH2 3.35Å; E252-R408 PolarHBondContact OE1-NH2 2.88Å; E252-R408 VanDerWaalsContact OE1-NH2 3.09Å; E252-R408 IonicContact OE2-CZ 3.19Å; E252-R408 IonicContact OE2-NH1 3.97Å; E252-R408 PolarHBondContact OE2-NH1 3.05Å; E252-R408 IonicContact OE2-NH2 2.91Å; E252-R408 PolarHBondContact OE2-NH2 3.46Å
253	I	98.1	Very high	98	Very high	51 Å²	51	26.5 Å²	26.5	26%	0.262	13%	0.126	S	C	.	.	H	α-helix	trans	-88.7	-44.3	-172.4	-62.1	165.8	0	0	0	111.7	L249 D251 I361 I364	L249-I253 HydrophobicContact CB-CD1 4.46Å; L249-I253 WeakPolarHBondContact O-CB 3.49Å; L249-I253 WeakPolarHBondContact O-CD1 3.47Å; L249-I253 VanDerWaalsContact O-CG1 3.26Å; L249-I253 WeakPolarHBondContact O-CG1 3.46Å; L249-I253 PolarHBondContact O-N 3.36Å; L249-I253 VanDerWaalsContact O-N 3.08Å; D251-I253 PolarHBondContact O-N 2.93Å; I253-I361 HydrophobicContact CD1-CB 4.4Å; I253-I361 HydrophobicContact CD1-CG1 4.23Å; I253-I361 HydrophobicContact CD1-CG2 4.12Å; I253-I364 HydrophobicContact CB-CD1 4.33Å; I253-I364 HydrophobicContact CD1-CB 4.31Å; I253-I364 HydrophobicContact CD1-CD1 3.84Å; I253-I364 HydrophobicContact CD1-CG2 4.3Å; I253-I364 HydrophobicContact CG1-CD1 4.08Å; I253-I364 HydrophobicContact CG2-CD1 3.29Å
254	Y	98.1	Very high	97.8	Very high	55 Å²	55	28.6 Å²	28.6	22%	0.216	14%	0.14	C	C	.	.	H	α-helix	trans	-116.5	-17	-169.5	-58.9	-67.9	0	0	0	113.9	I250 V261 L263 P264 L360	I250-Y254 WeakPolarHBondContact O-CA 3.05Å; I250-Y254 WeakPolarHBondContact O-CB 3.45Å; I250-Y254 PolarHBondContact O-N 2.91Å; Y254-V261 HydrophobicContact CG-CG2 4.49Å; Y254-L263 HydrophobicContact CD1-CD2 3.98Å; Y254-L263 HydrophobicContact CD2-CD2 3.48Å; Y254-L263 VanDerWaalsContact CD2-CD2 3.48Å; Y254-L263 HydrophobicContact CE1-CD2 4.32Å; Y254-L263 HydrophobicContact CE2-CD2 3.84Å; Y254-L263 HydrophobicContact CG-CD2 3.57Å; Y254-P264 HydrophobicContact CE1-CG 4.14Å; Y254-L360 HydrophobicContact CE2-CB 4.41Å; Y254-L360 WeakPolarHBondContact OH-CB 3.48Å
255	G	98	Very high	97.5	Very high	17 Å²	17	28.6 Å²	28.6	18%	0.175	14%	0.141	C	C	.	.			trans	71.2	123.8	-176	0	0	0	0	0	113.2	I250 D251	I250-G255 PolarHBondContact O-N 3.06Å; D251-G255 VanDerWaalsContact O-CA 3.22Å; D251-G255 WeakPolarHBondContact O-CA 3.47Å; D251-G255 PolarHBondContact O-N 3.07Å
256	I	98.4	Very high	96.9	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.067	17%	0.165	C	C	.	.			trans	-98.5	118.5	173.4	-57.6	176	0	0	0	108.9	E247 I250 D251 L289 Y555	E247-I256 HydrophobicContact CG-CD1 3.82Å; I250-I256 HydrophobicContact CB-CD1 4.2Å; I250-I256 HydrophobicContact CG2-CD1 3.9Å; I250-I256 HydrophobicContact CG2-CG1 3.81Å; D251-I256 HydrophobicContact CB-CD1 4.03Å; D251-I256 HydrophobicContact CB-CG1 4.02Å; D251-I256 PolarHBondContact OD1-N 2.77Å; I256-L289 HydrophobicContact CD1-CD1 3.91Å; I256-L289 HydrophobicContact CG1-CD1 4.18Å; I256-Y555 HydrophobicContact CB-CE2 4Å; I256-Y555 HydrophobicContact CD1-CD2 4.45Å; I256-Y555 HydrophobicContact CD1-CE2 3.97Å; I256-Y555 HydrophobicContact CG1-CE2 4.43Å; I256-Y555 HydrophobicContact CG2-CE2 4.49Å; I256-Y555 VanDerWaalsContact CG2-OH 3.26Å; I256-Y555 WeakPolarHBondContact CG2-OH 3.37Å
257	N	96.5	Very high	96.3	Very high	97 Å²	97	37 Å²	37	52%	0.519	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-119.3	116.7	-179.2	-66.1	-78.8	0	0	0	110	G259 Y260	N257-G259 VanDerWaalsContact C-N 3.26Å; N257-G259 PolarHBondContact O-N 3.26Å; N257-Y260 PolarHBondContact N-O 2.88Å; N257-Y260 PolarHBondContact O-N 2.98Å
258	N	96.4	Very high	95.7	Very high	26 Å²	26	38.1 Å²	38.1	14%	0.139	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	39.5	177	-47.7	108.4	0	0	0	113.7	G44 L48 E155 Y260	G44-N258 VanDerWaalsContact C-CG 3.43Å; G44-N258 WeakPolarHBondContact CA-OD1 3.37Å; L48-N258 HydrophobicContact CD1-CB 4.38Å; E155-N258 PolarHBondContact OE2-ND2 2.75Å; N258-Y260 VanDerWaalsContact C-N 3.35Å; N258-Y260 VanDerWaalsContact O-CD2 3.27Å; N258-Y260 WeakPolarHBondContact O-CD2 3.48Å
259	G	95.6	Very high	94.5	Very high	8 Å²	8	40 Å²	40	8%	0.082	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	18	-178.4	0	0	0	0	0	114.4	N257 Q288 L289	N257-G259 VanDerWaalsContact C-N 3.26Å; N257-G259 PolarHBondContact O-N 3.26Å; G259-Q288 CarbonylContact O-C 3.55Å; G259-Q288 WeakPolarHBondContact O-CA 3.37Å; G259-L289 PolarHBondContact O-N 3.4Å
260	Y	97.6	Very high	92.9	Very high	61 Å²	61	47.9 Å²	47.9	24%	0.239	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.1	175.2	-66	-90.1	0	0	0	112.4	N257 N258 K286 L287 Q288	N257-Y260 PolarHBondContact N-O 2.88Å; N257-Y260 PolarHBondContact O-N 2.98Å; N258-Y260 VanDerWaalsContact C-N 3.35Å; N258-Y260 VanDerWaalsContact O-CD2 3.27Å; N258-Y260 WeakPolarHBondContact O-CD2 3.48Å; Y260-K286 HydrophobicContact CD1-CD 4.21Å; Y260-K286 HydrophobicContact CD1-CG 4.01Å; Y260-L287 VanDerWaalsContact CA-O 3.23Å; Y260-L287 WeakPolarHBondContact CA-O 3.45Å; Y260-L287 WeakPolarHBondContact CD1-O 3.35Å; Y260-Q288 HydrophobicContact CD1-CB 3.87Å; Y260-Q288 HydrophobicContact CD1-CG 4.24Å; Y260-Q288 HydrophobicContact CE1-CB 3.54Å; Y260-Q288 HydrophobicContact CE1-CG 3.78Å; Y260-Q288 HydrophobicContact CE2-CG 4.48Å
261	V	98	Very high	90.9	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.1	169.6	67.1	0	0	0	0	110.1	I250 Y254 L263 K286 L287 L289	I250-V261 HydrophobicContact CG2-CB 4.17Å; I250-V261 HydrophobicContact CG2-CG1 4.41Å; I250-V261 HydrophobicContact CG2-CG2 3.79Å; Y254-V261 HydrophobicContact CG-CG2 4.49Å; V261-L263 HydrophobicContact CG1-CD1 3.82Å; V261-L263 HydrophobicContact CG1-CD2 4.46Å; V261-L263 HydrophobicContact CG1-CG 3.98Å; V261-L263 HydrophobicContact CG2-CD2 3.88Å; V261-L263 HydrophobicContact CG2-CG 4.04Å; V261-K286 WeakPolarHBondContact O-CA 3.22Å; V261-L287 HydrophobicContact CG1-CB 3.99Å; V261-L287 PolarHBondContact N-O 3.18Å; V261-L287 PolarHBondContact O-N 2.71Å; V261-L289 HydrophobicContact CB-CD1 3.98Å; V261-L289 HydrophobicContact CG1-CD1 3.64Å; V261-L289 HydrophobicContact CG1-CG 4.12Å
262	R	97.1	Very high	88.6	Confident	156 Å²	156	64.4 Å²	64.4	59%	0.589	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.8	172.4	-66.2	178.7	-178.2	-89.8	7.2	108.8	P284 K285	R262-P284 HydrophobicContact CB-CB 4.11Å; R262-K285 WeakPolarHBondContact CA-O 3.32Å
263	L	96.3	Very high	85.9	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.016	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152.6	-169.8	-63.2	161.7	0	0	0	111.6	Y254 V261 F268 P284 K285 L287 V357	Y254-L263 HydrophobicContact CD1-CD2 3.98Å; Y254-L263 HydrophobicContact CD2-CD2 3.48Å; Y254-L263 VanDerWaalsContact CD2-CD2 3.48Å; Y254-L263 HydrophobicContact CE1-CD2 4.32Å; Y254-L263 HydrophobicContact CE2-CD2 3.84Å; Y254-L263 HydrophobicContact CG-CD2 3.57Å; V261-L263 HydrophobicContact CG1-CD1 3.82Å; V261-L263 HydrophobicContact CG1-CD2 4.46Å; V261-L263 HydrophobicContact CG1-CG 3.98Å; V261-L263 HydrophobicContact CG2-CD2 3.88Å; V261-L263 HydrophobicContact CG2-CG 4.04Å; L263-F268 HydrophobicContact CB-CE2 3.76Å; L263-F268 HydrophobicContact CB-CZ 4.17Å; L263-F268 HydrophobicContact CD1-CE1 4.47Å; L263-F268 HydrophobicContact CD1-CE2 4.14Å; L263-F268 HydrophobicContact CD1-CZ 3.67Å; L263-P284 CarbonylContact O-C 3.56Å; L263-P284 WeakPolarHBondContact O-CA 3.49Å; L263-K285 HydrophobicContact CB-CB 4.39Å; L263-K285 PolarHBondContact N-O 3.32Å; L263-K285 PolarHBondContact O-N 2.96Å; L263-L287 HydrophobicContact CD1-CD1 3.68Å; L263-L287 HydrophobicContact CD1-CG 4.27Å; L263-V357 HydrophobicContact CD1-CG2 3.6Å
264	P	94.3	Very high	83.5	Confident	45 Å²	45	74.2 Å²	74.2	29%	0.292	37%	0.374	S	S	.	.			trans	-55	127.2	171.8	-23.6	33.6	0	0	0	111	Y254 E266 F268 L360	Y254-P264 HydrophobicContact CE1-CG 4.14Å; P264-E266 VanDerWaalsContact C-N 3.31Å; P264-E266 VanDerWaalsContact C-OE2 3.24Å; P264-E266 WeakPolarHBondContact CB-OE2 3.39Å; P264-E266 PolarHBondContact O-N 3.32Å; P264-F268 WeakPolarHBondContact O-CD2 3.3Å; P264-F268 VanDerWaalsContact O-CE2 3.32Å; P264-F268 WeakPolarHBondContact O-CE2 3.26Å; P264-L360 HydrophobicContact CG-CD2 4.48Å
265	P	91.8	Very high	80.9	Confident	14 Å²	14	77.9 Å²	77.9	9%	0.091	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-73.5	-17.2	-169.6	26.6	-33	0	0	0	114.8	K267 F268 A269 P281 E283	P265-K267 VanDerWaalsContact C-N 3.31Å; P265-K267 PolarHBondContact O-N 2.91Å; P265-F268 PolarHBondContact O-N 2.89Å; P265-A269 PolarHBondContact O-N 3.15Å; P265-P281 HydrophobicContact CB-CB 4.08Å; P265-P281 WeakPolarHBondContact CB-O 3.34Å; P265-P281 WeakPolarHBondContact CG-O 3.49Å; P265-E283 WeakPolarHBondContact CB-O 3.47Å
266	E	87.9	Confident	78.4	Confident	110 Å²	110	80.4 Å²	80.4	51%	0.514	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-60.3	-39.1	-167.4	-60	74.1	-161.5	0	0	112.2	P264 F268	P264-E266 VanDerWaalsContact C-N 3.31Å; P264-E266 VanDerWaalsContact C-OE2 3.24Å; P264-E266 WeakPolarHBondContact CB-OE2 3.39Å; P264-E266 PolarHBondContact O-N 3.32Å; E266-F268 VanDerWaalsContact C-N 3.3Å; E266-F268 PolarHBondContact O-N 3.04Å
267	K	85.1	Confident	76	Confident	65 Å²	65	85.7 Å²	85.7	28%	0.283	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-81.8	-4.1	179.2	-56.7	-147	-168.1	-158.5	0	114.1	P265 S356 E359 L360 D363	P265-K267 VanDerWaalsContact C-N 3.31Å; P265-K267 PolarHBondContact O-N 2.91Å; K267-S356 WeakPolarHBondContact O-CB 3.4Å; K267-S356 PolarHBondContact O-OG 3.08Å; K267-E359 HydrophobicContact CD-CB 4.17Å; K267-E359 IonicContact NZ-OE2 2.7Å; K267-L360 HydrophobicContact CD-CD2 4.02Å; K267-L360 HydrophobicContact CD-CG 3.97Å; K267-L360 HydrophobicContact CG-CD2 4.14Å; K267-L360 HydrophobicContact CG-CG 4.29Å; K267-D363 WeakPolarHBondContact CE-OD2 3.5Å; K267-D363 IonicContact NZ-OD1 2.82Å; K267-D363 IonicContact NZ-OD2 3.27Å; K267-D363 PolarHBondContact NZ-OD2 3.07Å
268	F	87.1	Confident	74	Confident	34 Å²	34	88.6 Å²	88.6	15%	0.149	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-107.2	-7.2	179.9	-59.5	-85.3	0	0	0	113.2	L263 P264 P265 E266 Q270 K285 L287 N353 V357 L360	L263-F268 HydrophobicContact CB-CE2 3.76Å; L263-F268 HydrophobicContact CB-CZ 4.17Å; L263-F268 HydrophobicContact CD1-CE1 4.47Å; L263-F268 HydrophobicContact CD1-CE2 4.14Å; L263-F268 HydrophobicContact CD1-CZ 3.67Å; P264-F268 WeakPolarHBondContact O-CD2 3.3Å; P264-F268 VanDerWaalsContact O-CE2 3.32Å; P264-F268 WeakPolarHBondContact O-CE2 3.26Å; P265-F268 PolarHBondContact O-N 2.89Å; E266-F268 VanDerWaalsContact C-N 3.3Å; E266-F268 PolarHBondContact O-N 3.04Å; F268-Q270 PolarHBondContact O-N 3.14Å; F268-K285 HydrophobicContact CB-CB 4.38Å; F268-K285 HydrophobicContact CB-CD 4.22Å; F268-K285 HydrophobicContact CB-CG 4.15Å; F268-K285 HydrophobicContact CD1-CD 4.47Å; F268-K285 HydrophobicContact CD1-CG 3.91Å; F268-K285 HydrophobicContact CD2-CB 3.76Å; F268-K285 HydrophobicContact CD2-CG 3.93Å; F268-K285 HydrophobicContact CE1-CG 4.33Å; F268-K285 HydrophobicContact CE2-CB 4.23Å; F268-K285 HydrophobicContact CE2-CG 4.36Å; F268-K285 HydrophobicContact CG-CB 4Å; F268-K285 HydrophobicContact CG-CD 4.27Å; F268-K285 HydrophobicContact CG-CG 3.7Å; F268-L287 HydrophobicContact CE1-CD1 4.13Å; F268-N353 HydrophobicContact CE1-CB 4.36Å; F268-V357 HydrophobicContact CE1-CG2 4.18Å; F268-V357 HydrophobicContact CZ-CG2 3.8Å; F268-L360 HydrophobicContact CE2-CD1 3.89Å; F268-L360 HydrophobicContact CZ-CD1 4.2Å
269	A	74	Confident	72.4	Confident	39 Å²	39	95.1 Å²	95.1	32%	0.322	50%	0.5	S	S	.	.	S	Bend	trans	-68.6	129.6	177.5	0	0	0	0	0	111	P265 K271 P281	P265-A269 PolarHBondContact O-N 3.15Å; A269-K271 PolarHBondContact O-N 2.93Å; A269-K271 VanDerWaalsContact O-N 3.12Å; A269-P281 HydrophobicContact CB-CG 4.23Å
270	Q	64.8	Low	70.8	Confident	167 Å²	167	100.3 Å²	100.3	78%	0.78	53%	0.525	S	S	*	.			trans	-70.4	107.7	171.7	-69.8	-175	-6.8	0	0	109.4	F268 K272	F268-Q270 PolarHBondContact O-N 3.14Å; Q270-K272 VanDerWaalsContact C-N 3.25Å; Q270-K272 PolarHBondContact O-N 3.17Å
271	K	56.2	Low	69.4	Low	207 Å²	207	100.5 Å²	100.5	90%	0.9	53%	0.534	S	S	*	.			trans	-68.3	84.5	165.5	-69.5	-175	-178.8	178.1	0	108.9	A269 Q273	A269-K271 PolarHBondContact O-N 2.93Å; A269-K271 VanDerWaalsContact O-N 3.12Å; K271-Q273 PolarHBondContact O-N 3.04Å
272	K	51.9	Low	68.5	Low	153 Å²	153	106.8 Å²	106.8	67%	0.665	57%	0.573	S	S	*	*			trans	-69.4	112.5	166.6	-76.7	-172.6	176.7	-178	0	107.8	Q270 G274	Q270-K272 VanDerWaalsContact C-N 3.25Å; Q270-K272 PolarHBondContact O-N 3.17Å; K272-G274 PolarHBondContact O-N 3.36Å
273	Q	40.1	Very low	68	Low	204 Å²	204	107 Å²	107	95%	0.953	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	119.1	171	-74.6	177.8	-2.4	0	0	108.7	K271	K271-Q273 PolarHBondContact O-N 3.04Å
274	G	48.4	Very low	67.8	Low	83 Å²	83	110.1 Å²	110.1	86%	0.856	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	122.3	-5.7	165.4	0	0	0	0	0	118.2	K272	K272-G274 PolarHBondContact O-N 3.36Å
275	E	44.2	Very low	67.9	Low	132 Å²	132	111.8 Å²	111.8	62%	0.617	60%	0.603	S	S	*	*	S	Bend	trans	-118.1	126.2	172.5	-75.2	-176	170.9	0	0	110.4	K278	E275-K278 IonicContact OE2-NZ 3.38Å; E275-K278 PolarHBondContact OE2-NZ 2.86Å
276	G	44.8	Very low	68.1	Low	69 Å²	69	116.3 Å²	116.3	71%	0.711	62%	0.622	S	S	*	*			trans	-55.8	142.6	176.2	0	0	0	0	0	112.3	K278	G276-K278 PolarHBondContact O-N 3.04Å; G276-K278 VanDerWaalsContact O-N 3.12Å
277	S	48.4	Very low	68.5	Low	124 Å²	124	112 Å²	112	87%	0.867	60%	0.602	S	S	*	*			trans	4.9	87.1	171.5	61.3	0	0	0	0	115.8
278	K	55	Low	69	Low	158 Å²	158	113.3 Å²	113.3	69%	0.687	61%	0.609	S	S	*	*			trans	-76.8	138	153.1	-81.3	178.5	174	150.2	0	108	E275 G276 L280	E275-K278 IonicContact OE2-NZ 3.38Å; E275-K278 PolarHBondContact OE2-NZ 2.86Å; G276-K278 PolarHBondContact O-N 3.04Å; G276-K278 VanDerWaalsContact O-N 3.12Å; K278-L280 PolarHBondContact O-N 2.71Å
279	D	61.6	Low	69.5	Low	163 Å²	163	112.1 Å²	112.1	87%	0.872	60%	0.604	S	S	*	*			trans	-45.5	129.9	173.8	-67.4	-45.1	0	0	0	109.7
280	L	62.1	Low	70.6	Confident	118 Å²	118	110.9 Å²	110.9	62%	0.618	59%	0.592	S	S	*	*			trans	-55.3	136	174	-76.6	161.7	0	0	0	108	K278 T282	K278-L280 PolarHBondContact O-N 2.71Å; L280-T282 PolarHBondContact O-N 3.24Å; L280-T282 VanDerWaalsContact O-N 3.1Å
281	P	68.8	Low	72.2	Confident	64 Å²	64	103.6 Å²	103.6	42%	0.416	56%	0.56	S	S	.	*			trans	-56.2	123.7	173.7	-13.4	24	0	0	0	108.2	P265 A269	P265-P281 HydrophobicContact CB-CB 4.08Å; P265-P281 WeakPolarHBondContact CB-O 3.34Å; P265-P281 WeakPolarHBondContact CG-O 3.49Å; A269-P281 HydrophobicContact CB-CG 4.23Å
282	T	77.9	Confident	74.1	Confident	135 Å²	135	96.5 Å²	96.5	83%	0.828	54%	0.54	S	S	*	.			trans	-88.2	-22.4	-179.7	48.7	0	0	0	0	112.2	L280	L280-T282 PolarHBondContact O-N 3.24Å; L280-T282 VanDerWaalsContact O-N 3.1Å
283	E	87.9	Confident	76.1	Confident	159 Å²	159	91.5 Å²	91.5	74%	0.743	52%	0.519	S	S	*	.	S	Bend	trans	-79.4	133.4	179.2	-68	-167.6	171.2	0	0	111.9	P265 K285	P265-E283 WeakPolarHBondContact CB-O 3.47Å; E283-K285 PolarHBondContact O-N 2.79Å
284	P	92.6	Very high	78.8	Confident	69 Å²	69	87.3 Å²	87.3	45%	0.448	50%	0.499	S	S	.	.			trans	-56.1	135.6	175.5	-25.9	34	0	0	0	112.4	R262 L263 K286	R262-P284 HydrophobicContact CB-CB 4.11Å; L263-P284 CarbonylContact O-C 3.56Å; L263-P284 WeakPolarHBondContact O-CA 3.49Å; P284-K286 PolarHBondContact O-N 3.16Å; P284-K286 VanDerWaalsContact O-N 3.1Å
285	K	94.6	Very high	81.1	Confident	80 Å²	80	84 Å²	84	35%	0.348	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	112.5	174.1	179.2	69.9	175.6	-174.7	0	109.1	R262 L263 F268 E283 L287	R262-K285 WeakPolarHBondContact CA-O 3.32Å; L263-K285 HydrophobicContact CB-CB 4.39Å; L263-K285 PolarHBondContact N-O 3.32Å; L263-K285 PolarHBondContact O-N 2.96Å; F268-K285 HydrophobicContact CB-CB 4.38Å; F268-K285 HydrophobicContact CB-CD 4.22Å; F268-K285 HydrophobicContact CB-CG 4.15Å; F268-K285 HydrophobicContact CD1-CD 4.47Å; F268-K285 HydrophobicContact CD1-CG 3.91Å; F268-K285 HydrophobicContact CD2-CB 3.76Å; F268-K285 HydrophobicContact CD2-CG 3.93Å; F268-K285 HydrophobicContact CE1-CG 4.33Å; F268-K285 HydrophobicContact CE2-CB 4.23Å; F268-K285 HydrophobicContact CE2-CG 4.36Å; F268-K285 HydrophobicContact CG-CB 4Å; F268-K285 HydrophobicContact CG-CD 4.27Å; F268-K285 HydrophobicContact CG-CG 3.7Å; E283-K285 PolarHBondContact O-N 2.79Å; K285-L287 HydrophobicContact CD-CD2 4.46Å; K285-L287 HydrophobicContact CG-CD2 4.25Å; K285-L287 HydrophobicContact CG-CG 4.14Å
286	K	95.8	Very high	83.7	Confident	110 Å²	110	77.7 Å²	77.7	48%	0.478	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.9	172.1	-169.6	179	179.7	-175.9	0	110.1	Y260 V261 P284	Y260-K286 HydrophobicContact CD1-CD 4.21Å; Y260-K286 HydrophobicContact CD1-CG 4.01Å; V261-K286 WeakPolarHBondContact O-CA 3.22Å; P284-K286 PolarHBondContact O-N 3.16Å; P284-K286 VanDerWaalsContact O-N 3.1Å
287	L	96.5	Very high	86.2	Confident	19 Å²	19	76 Å²	76	10%	0.099	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.7	174	-67.1	-179.7	0	0	0	110.3	Y260 V261 L263 F268 K285 N353 V357	Y260-L287 VanDerWaalsContact CA-O 3.23Å; Y260-L287 WeakPolarHBondContact CA-O 3.45Å; Y260-L287 WeakPolarHBondContact CD1-O 3.35Å; V261-L287 HydrophobicContact CG1-CB 3.99Å; V261-L287 PolarHBondContact N-O 3.18Å; V261-L287 PolarHBondContact O-N 2.71Å; L263-L287 HydrophobicContact CD1-CD1 3.68Å; L263-L287 HydrophobicContact CD1-CG 4.27Å; F268-L287 HydrophobicContact CE1-CD1 4.13Å; K285-L287 HydrophobicContact CD-CD2 4.46Å; K285-L287 HydrophobicContact CG-CD2 4.25Å; K285-L287 HydrophobicContact CG-CG 4.14Å; L287-N353 HydrophobicContact CD1-CB 4.15Å; L287-V357 HydrophobicContact CD1-CG2 4.24Å
288	Q	96.9	Very high	88.5	Confident	93 Å²	93	73.2 Å²	73.2	44%	0.435	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.7	169.3	-169.1	175.1	18.1	0	0	108.7	G259 Y260 N290	G259-Q288 CarbonylContact O-C 3.55Å; G259-Q288 WeakPolarHBondContact O-CA 3.37Å; Y260-Q288 HydrophobicContact CD1-CB 3.87Å; Y260-Q288 HydrophobicContact CD1-CG 4.24Å; Y260-Q288 HydrophobicContact CE1-CB 3.54Å; Y260-Q288 HydrophobicContact CE1-CG 3.78Å; Y260-Q288 HydrophobicContact CE2-CG 4.48Å; Q288-N290 PolarHBondContact NE2-ND2 3.19Å
289	L	98	Very high	90.6	Very high	8 Å²	8	65.7 Å²	65.7	4%	0.042	35%	0.352	C	S	.	.			trans	-125.8	105.8	-176	-63.4	-177.8	0	0	0	109.1	I250 I256 G259 V261 Y296	I250-L289 HydrophobicContact CD1-CD1 4.31Å; I250-L289 HydrophobicContact CG2-CD1 3.98Å; I256-L289 HydrophobicContact CD1-CD1 3.91Å; I256-L289 HydrophobicContact CG1-CD1 4.18Å; G259-L289 PolarHBondContact O-N 3.4Å; V261-L289 HydrophobicContact CB-CD1 3.98Å; V261-L289 HydrophobicContact CG1-CD1 3.64Å; V261-L289 HydrophobicContact CG1-CG 4.12Å; L289-Y296 HydrophobicContact CB-CD1 4.42Å; L289-Y296 HydrophobicContact CB-CE1 3.67Å; L289-Y296 HydrophobicContact CB-CE2 4.47Å; L289-Y296 HydrophobicContact CD2-CD2 4.16Å; L289-Y296 HydrophobicContact CD2-CE1 4.38Å; L289-Y296 HydrophobicContact CD2-CE2 3.87Å
290	N	97.1	Very high	92.4	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.07	31%	0.314	C	S	.	.	S	Bend	trans	-164	175	171.7	59.8	51.3	0	0	0	110.8	Q288 A292 E293 Y296	Q288-N290 PolarHBondContact NE2-ND2 3.19Å; N290-A292 PolarHBondContact O-N 2.89Å; N290-A292 WeakPolarHBondContact OD1-CB 3.25Å; N290-A292 PolarHBondContact OD1-N 3.09Å; N290-E293 PolarHBondContact O-N 3.3Å; N290-Y296 WeakPolarHBondContact O-CD1 3.47Å
291	S	97	Very high	94.1	Very high	15 Å²	15	54 Å²	54	11%	0.105	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	0.5	-176.5	75.7	0	0	0	0	115.8	H4 D148 E293	H4-S291 WeakPolarHBondContact CB-OG 3.22Å; D148-S291 WeakPolarHBondContact OD1-CB 3.43Å; D148-S291 PolarHBondContact OD1-OG 3.29Å; D148-S291 WeakPolarHBondContact OD2-CB 3.29Å; D148-S291 PolarHBondContact OD2-N 3.07Å; D148-S291 PolarHBondContact OD2-OG 3.28Å; S291-E293 PolarHBondContact O-N 3.33Å
292	A	95.8	Very high	95.5	Very high	58 Å²	58	54.2 Å²	54.2	48%	0.479	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.4	171.3	0	0	0	0	0	112.4	H4 N290	H4-A292 HydrophobicContact CB-CB 4.04Å; N290-A292 PolarHBondContact O-N 2.89Å; N290-A292 WeakPolarHBondContact OD1-CB 3.25Å; N290-A292 PolarHBondContact OD1-N 3.09Å
293	E	95.6	Very high	96.5	Very high	48 Å²	48	47.9 Å²	47.9	22%	0.224	25%	0.245	C	C	.	.	S	Bend	trans	-94	109.8	174.3	-178.1	169.9	-159.6	0	0	110.1	N290 S291 L295 Y296 A297 S350 H354	N290-E293 PolarHBondContact O-N 3.3Å; S291-E293 PolarHBondContact O-N 3.33Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 2.95Å; E293-Y296 PolarHBondContact O-N 3.46Å; E293-Y296 VanDerWaalsContact O-N 3.1Å; E293-A297 PolarHBondContact O-N 3.19Å; E293-S350 WeakPolarHBondContact OE1-CA 3.46Å; E293-S350 WeakPolarHBondContact OE1-CB 3.48Å; E293-S350 PolarHBondContact OE1-OG 3.47Å; E293-H354 IonicContact OE1-CD2 3.36Å; E293-H354 IonicContact OE1-NE2 2.94Å; E293-H354 PolarHBondContact OE1-NE2 3.47Å; E293-H354 IonicContact OE2-NE2 2.94Å; E293-H354 PolarHBondContact OE2-NE2 3.29Å
294	E	95.2	Very high	97	Very high	116 Å²	116	41.5 Å²	41.5	54%	0.542	22%	0.215	S	C	.	.	H	α-helix	trans	-56	-45	-172.9	-171.4	-162.2	136.7	0	0	112.9	Y296 A297 E298 K314	E294-Y296 VanDerWaalsContact C-N 3.34Å; E294-Y296 PolarHBondContact O-N 3.03Å; E294-A297 PolarHBondContact O-N 3.44Å; E294-E298 PolarHBondContact O-N 3.42Å; E294-E298 VanDerWaalsContact O-N 3.1Å; E294-K314 IonicContact OE1-NZ 3.82Å; E294-K314 PolarHBondContact OE1-NZ 3.26Å
295	L	97.3	Very high	97.3	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-44.2	178.8	178.2	61	0	0	0	111.1	E293 E298 I299 L311 K314 S350 L351 H354	E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 2.95Å; L295-E298 PolarHBondContact O-N 3.09Å; L295-I299 HydrophobicContact CD1-CG2 4.2Å; L295-I299 HydrophobicContact CG-CD1 4.33Å; L295-I299 WeakPolarHBondContact O-CG1 3.35Å; L295-I299 PolarHBondContact O-N 3.44Å; L295-I299 VanDerWaalsContact O-N 3.15Å; L295-L311 HydrophobicContact CD1-CD2 4.28Å; L295-L311 HydrophobicContact CD2-CD2 4.16Å; L295-K314 HydrophobicContact CD1-CB 4.17Å; L295-K314 HydrophobicContact CD1-CD 4.34Å; L295-K314 HydrophobicContact CD1-CG 3.74Å; L295-S350 WeakPolarHBondContact CB-OG 3.34Å; L295-L351 HydrophobicContact CD2-CB 4.13Å; L295-L351 HydrophobicContact CD2-CD1 4.16Å; L295-H354 HydrophobicContact CD2-CB 4.13Å
296	Y	98.4	Very high	97.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-44.3	179.1	-175.1	-116	0	0	0	111.3	Y246 E247 I250 L289 N290 E293 E294 E298 I299 R300 H354	Y246-Y296 HydrophobicContact CD1-CD2 4.35Å; Y246-Y296 HydrophobicContact CD1-CE2 4.02Å; Y246-Y296 AromaticContact CE1-CD2 3.97Å; Y246-Y296 HydrophobicContact CE1-CD2 3.97Å; Y246-Y296 AromaticContact CE1-CE2 3.84Å; Y246-Y296 HydrophobicContact CE1-CE2 3.84Å; E247-Y296 VanDerWaalsContact CD-OH 3.25Å; E247-Y296 WeakPolarHBondContact CG-OH 3.45Å; E247-Y296 PolarHBondContact OE1-OH 2.9Å; I250-Y296 HydrophobicContact CD1-CE2 4.35Å; L289-Y296 HydrophobicContact CB-CD1 4.42Å; L289-Y296 HydrophobicContact CB-CE1 3.67Å; L289-Y296 HydrophobicContact CB-CE2 4.47Å; L289-Y296 HydrophobicContact CD2-CD2 4.16Å; L289-Y296 HydrophobicContact CD2-CE1 4.38Å; L289-Y296 HydrophobicContact CD2-CE2 3.87Å; N290-Y296 WeakPolarHBondContact O-CD1 3.47Å; E293-Y296 PolarHBondContact O-N 3.46Å; E293-Y296 VanDerWaalsContact O-N 3.1Å; E294-Y296 VanDerWaalsContact C-N 3.34Å; E294-Y296 PolarHBondContact O-N 3.03Å; Y296-E298 PolarHBondContact O-N 3.44Å; Y296-I299 PolarHBondContact O-N 3.26Å; Y296-I299 VanDerWaalsContact O-N 3.15Å; Y296-R300 HydrophobicContact CD1-CB 4.37Å; Y296-R300 HydrophobicContact CD2-CB 4.17Å; Y296-R300 HydrophobicContact CE1-CB 4.03Å; Y296-R300 HydrophobicContact CE2-CB 3.81Å; Y296-R300 HydrophobicContact CG-CB 4.46Å; Y296-R300 VanDerWaalsContact O-CB 3.22Å; Y296-R300 WeakPolarHBondContact O-CB 3.41Å; Y296-R300 WeakPolarHBondContact O-CG 3.49Å; Y296-R300 PolarHBondContact O-N 3.19Å; Y296-H354 AromaticContact CD2-CE1 3.37Å; Y296-H354 WeakPolarHBondContact CD2-CE1 3.35Å; Y296-H354 AromaticContact CD2-NE2 3.99Å
297	A	97.6	Very high	97.6	Very high	35 Å²	35	34 Å²	34	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-56.2	-35.1	174.8	0	0	0	0	0	112.7	E293 E294	E293-A297 PolarHBondContact O-N 3.19Å; E294-A297 PolarHBondContact O-N 3.44Å
298	E	97.4	Very high	97.6	Very high	65 Å²	65	35.1 Å²	35.1	30%	0.304	20%	0.196	S	C	.	.	H	α-helix	trans	-72.9	-37.2	177.2	-179.2	175.4	154.5	0	0	113.4	E294 L295 Y296 K302 K314	E294-E298 PolarHBondContact O-N 3.42Å; E294-E298 VanDerWaalsContact O-N 3.1Å; L295-E298 PolarHBondContact O-N 3.09Å; Y296-E298 PolarHBondContact O-N 3.44Å; E298-K302 WeakPolarHBondContact O-CE 3.06Å; E298-K314 WeakPolarHBondContact OE2-CE 3.43Å; E298-K314 IonicContact OE2-NZ 2.8Å; E298-K314 PolarHBondContact OE2-NZ 2.96Å
299	I	98.6	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-101.6	-22.9	-169.9	69.3	-178.6	0	0	0	114.5	Y246 L295 Y296 D301 K302 V307 A310 L311 H354	Y246-I299 VanDerWaalsContact CB-O 3.29Å; Y246-I299 WeakPolarHBondContact CB-O 3.09Å; Y246-I299 HydrophobicContact CD1-CD1 3.97Å; Y246-I299 HydrophobicContact CD1-CG1 3.75Å; Y246-I299 HydrophobicContact CE1-CD1 3.63Å; Y246-I299 HydrophobicContact CE1-CG1 3.88Å; Y246-I299 HydrophobicContact CG-CG1 4.39Å; L295-I299 HydrophobicContact CD1-CG2 4.2Å; L295-I299 HydrophobicContact CG-CD1 4.33Å; L295-I299 WeakPolarHBondContact O-CG1 3.35Å; L295-I299 PolarHBondContact O-N 3.44Å; L295-I299 VanDerWaalsContact O-N 3.15Å; Y296-I299 PolarHBondContact O-N 3.26Å; Y296-I299 VanDerWaalsContact O-N 3.15Å; I299-D301 VanDerWaalsContact C-N 3.29Å; I299-D301 PolarHBondContact O-N 2.91Å; I299-K302 WeakPolarHBondContact O-CB 3.22Å; I299-K302 PolarHBondContact O-N 2.95Å; I299-K302 VanDerWaalsContact O-N 3.09Å; I299-V307 HydrophobicContact CD1-CG1 4.43Å; I299-A310 HydrophobicContact CG2-CB 3.9Å; I299-L311 HydrophobicContact CD1-CD2 4.1Å; I299-H354 HydrophobicContact CD1-CB 4Å
300	R	98.7	Very high	97.6	Very high	15 Å²	15	33.6 Å²	33.6	6%	0.057	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.3	-172.8	68.1	177.9	-176.3	-179	-3.6	114	D148 E247 Y296 R562	D148-R300 IonicContact OD2-CZ 3.41Å; D148-R300 IonicContact OD2-NH1 2.68Å; D148-R300 PolarHBondContact OD2-NH1 3.42Å; D148-R300 IonicContact OD2-NH2 3.65Å; E247-R300 HydrophobicContact CB-CB 3.98Å; E247-R300 WeakPolarHBondContact CB-O 3.43Å; E247-R300 PolarHBondContact N-O 3.02Å; E247-R300 VanDerWaalsContact N-O 3.07Å; Y296-R300 HydrophobicContact CD1-CB 4.37Å; Y296-R300 HydrophobicContact CD2-CB 4.17Å; Y296-R300 HydrophobicContact CE1-CB 4.03Å; Y296-R300 HydrophobicContact CE2-CB 3.81Å; Y296-R300 HydrophobicContact CG-CB 4.46Å; Y296-R300 VanDerWaalsContact O-CB 3.22Å; Y296-R300 WeakPolarHBondContact O-CB 3.41Å; Y296-R300 WeakPolarHBondContact O-CG 3.49Å; Y296-R300 PolarHBondContact O-N 3.19Å; R300-R562 VanDerWaalsContact NE-NH1 3.16Å
301	D	98.7	Very high	97.6	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.102	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.9	-175.1	-58	-53.1	0	0	0	112.2	I299 Y487 A559 R562	I299-D301 VanDerWaalsContact C-N 3.29Å; I299-D301 PolarHBondContact O-N 2.91Å; D301-Y487 WeakPolarHBondContact O-CE2 3.47Å; D301-Y487 PolarHBondContact O-OH 3.48Å; D301-A559 HydrophobicContact CB-CB 3.86Å; D301-A559 WeakPolarHBondContact OD1-CA 3.34Å; D301-A559 WeakPolarHBondContact OD1-CB 3.31Å; D301-R562 VanDerWaalsContact CG-CD 3.5Å; D301-R562 VanDerWaalsContact OD1-CD 3.27Å; D301-R562 WeakPolarHBondContact OD1-CD 3.42Å; D301-R562 IonicContact OD1-CZ 3.67Å; D301-R562 IonicContact OD1-NE 3.43Å; D301-R562 IonicContact OD1-NH1 2.73Å; D301-R562 PolarHBondContact OD1-NH1 2.8Å; D301-R562 WeakPolarHBondContact OD2-CD 3.41Å; D301-R562 IonicContact OD2-NH1 2.92Å
302	K	98.8	Very high	97.6	Very high	70 Å²	70	36.1 Å²	36.1	30%	0.304	22%	0.219	S	C	.	.	S	Bend	trans	-79.3	147	177.9	-65.6	-173	179.3	-58.6	0	110.6	T245 Y246 E298 I299 A306 V307 A310	T245-K302 CarbonylContact C-O 3.6Å; T245-K302 WeakPolarHBondContact CA-O 3.25Å; T245-K302 WeakPolarHBondContact CB-O 3.49Å; Y246-K302 PolarHBondContact N-O 2.74Å; E298-K302 WeakPolarHBondContact O-CE 3.06Å; I299-K302 WeakPolarHBondContact O-CB 3.22Å; I299-K302 PolarHBondContact O-N 2.95Å; I299-K302 VanDerWaalsContact O-N 3.09Å; K302-A306 HydrophobicContact CB-CB 4.4Å; K302-A306 HydrophobicContact CD-CB 4.43Å; K302-V307 HydrophobicContact CB-CG2 4.42Å; K302-A310 HydrophobicContact CD-CB 4.33Å
303	N	98.7	Very high	97.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.011	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-56.7	140	160.9	-176.2	-72.3	0	0	0	108.8	N305 A306 E479 Y487 S490	N303-N305 PolarHBondContact O-N 2.97Å; N303-N305 VanDerWaalsContact O-N 3.14Å; N303-N305 WeakPolarHBondContact OD1-CB 3.07Å; N303-N305 PolarHBondContact OD1-N 3.2Å; N303-A306 WeakPolarHBondContact O-CB 3.45Å; N303-A306 PolarHBondContact O-N 2.98Å; N303-E479 HydrophobicContact CB-CB 3.98Å; N303-E479 HydrophobicContact CB-CG 4.41Å; N303-Y487 HydrophobicContact CB-CD2 4.09Å; N303-Y487 PolarHBondContact ND2-O 3.43Å; N303-S490 PolarHBondContact ND2-OG 2.71Å
304	F	98.6	Very high	97.7	Very high	25 Å²	25	39 Å²	39	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-55.9	-34.4	-174	-174.7	-115.6	0	0	0	113.3	L244 Y246 L249 A306 V307 A358 I361 K362 T365	L244-F304 PolarHBondContact O-N 3.42Å; Y246-F304 HydrophobicContact CD2-CD2 4.06Å; Y246-F304 HydrophobicContact CD2-CE2 4.2Å; L249-F304 HydrophobicContact CD1-CB 3.47Å; L249-F304 VanDerWaalsContact CD1-CB 3.47Å; L249-F304 HydrophobicContact CD1-CD1 3.97Å; L249-F304 HydrophobicContact CD1-CD2 4.02Å; L249-F304 HydrophobicContact CD1-CG 3.54Å; F304-A306 PolarHBondContact O-N 2.71Å; F304-A306 VanDerWaalsContact O-N 3.15Å; F304-V307 HydrophobicContact CD2-CG2 4.24Å; F304-V307 WeakPolarHBondContact O-CB 3.28Å; F304-V307 WeakPolarHBondContact O-CG2 3.48Å; F304-V307 PolarHBondContact O-N 2.77Å; F304-A358 HydrophobicContact CE2-CB 4.35Å; F304-A358 WeakPolarHBondContact CZ-O 3.43Å; F304-I361 HydrophobicContact CD1-CG2 4.13Å; F304-I361 HydrophobicContact CD2-CD1 4.43Å; F304-I361 HydrophobicContact CD2-CG2 3.93Å; F304-I361 HydrophobicContact CE1-CB 4.38Å; F304-I361 HydrophobicContact CE1-CG2 3.71Å; F304-I361 HydrophobicContact CE2-CB 3.73Å; F304-I361 HydrophobicContact CE2-CD1 3.96Å; F304-I361 HydrophobicContact CE2-CG1 4.47Å; F304-I361 HydrophobicContact CE2-CG2 3.51Å; F304-I361 HydrophobicContact CG-CG2 4.23Å; F304-I361 HydrophobicContact CZ-CB 3.63Å; F304-I361 HydrophobicContact CZ-CG2 3.39Å; F304-K362 HydrophobicContact CE1-CB 4.36Å; F304-K362 HydrophobicContact CZ-CB 4.23Å; F304-T365 HydrophobicContact CD1-CG2 4.47Å; F304-T365 HydrophobicContact CE1-CG2 4.47Å
305	N	97.4	Very high	97.7	Very high	95 Å²	95	35.1 Å²	35.1	51%	0.508	21%	0.207	S	C	.	.	H	α-helix	trans	-63.5	-21.4	178.4	-68.7	-24.2	0	0	0	113.1	N303 E479 Q480	N303-N305 PolarHBondContact O-N 2.97Å; N303-N305 VanDerWaalsContact O-N 3.14Å; N303-N305 WeakPolarHBondContact OD1-CB 3.07Å; N303-N305 PolarHBondContact OD1-N 3.2Å; N305-E479 WeakPolarHBondContact CB-OE2 3.49Å; N305-E479 PolarHBondContact ND2-OE2 3.49Å; N305-Q480 VanDerWaalsContact C-NE2 3.27Å; N305-Q480 PolarHBondContact O-NE2 2.92Å
306	A	98.1	Very high	97.6	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-89.3	-12.1	176.3	0	0	0	0	0	114.1	K302 N303 F304 A310	K302-A306 HydrophobicContact CB-CB 4.4Å; K302-A306 HydrophobicContact CD-CB 4.43Å; N303-A306 WeakPolarHBondContact O-CB 3.45Å; N303-A306 PolarHBondContact O-N 2.98Å; F304-A306 PolarHBondContact O-N 2.71Å; F304-A306 VanDerWaalsContact O-N 3.15Å; A306-A310 PolarHBondContact O-N 2.92Å
307	V	98.4	Very high	97.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-42	-174.4	176.5	0	0	0	0	111.5	Y246 I299 K302 F304 A309 A310 L311	Y246-V307 HydrophobicContact CD2-CB 4.48Å; Y246-V307 HydrophobicContact CD2-CG1 3.95Å; Y246-V307 HydrophobicContact CD2-CG2 3.88Å; Y246-V307 HydrophobicContact CE2-CG1 4.18Å; Y246-V307 HydrophobicContact CG-CG2 4.06Å; I299-V307 HydrophobicContact CD1-CG1 4.43Å; K302-V307 HydrophobicContact CB-CG2 4.42Å; F304-V307 HydrophobicContact CD2-CG2 4.24Å; F304-V307 WeakPolarHBondContact O-CB 3.28Å; F304-V307 WeakPolarHBondContact O-CG2 3.48Å; F304-V307 PolarHBondContact O-N 2.77Å; V307-A309 VanDerWaalsContact C-N 3.3Å; V307-A309 PolarHBondContact O-N 2.75Å; V307-A310 PolarHBondContact O-N 2.88Å; V307-A310 VanDerWaalsContact O-N 3.11Å; V307-L311 HydrophobicContact CG1-CD1 3.85Å; V307-L311 HydrophobicContact CG1-CG 3.96Å; V307-L311 WeakPolarHBondContact O-CG 3.32Å; V307-L311 PolarHBondContact O-N 3.06Å
308	G	97.9	Very high	97.1	Very high	42 Å²	42	46.1 Å²	46.1	43%	0.433	25%	0.252	S	S	.	.	H	α-helix	trans	-59.2	-39.4	-178.1	0	0	0	0	0	113.4	S312	G308-S312 WeakPolarHBondContact O-CB 3.46Å; G308-S312 PolarHBondContact O-N 3.29Å; G308-S312 PolarHBondContact O-OG 3.36Å
309	A	96.9	Very high	96.8	Very high	60 Å²	60	46.1 Å²	46.1	50%	0.496	26%	0.259	S	S	.	.	H	α-helix	trans	-66.8	-41.9	176	0	0	0	0	0	111.8	V307 S312 K313	V307-A309 VanDerWaalsContact C-N 3.3Å; V307-A309 PolarHBondContact O-N 2.75Å; A309-S312 PolarHBondContact O-N 2.93Å; A309-K313 WeakPolarHBondContact O-CB 3.46Å; A309-K313 PolarHBondContact O-N 3.01Å
310	A	97.2	Very high	96.4	Very high	9 Å²	9	48.6 Å²	48.6	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-46.3	177	0	0	0	0	0	112.1	I299 K302 A306 V307 S312 K313 K314	I299-A310 HydrophobicContact CG2-CB 3.9Å; K302-A310 HydrophobicContact CD-CB 4.33Å; A306-A310 PolarHBondContact O-N 2.92Å; V307-A310 PolarHBondContact O-N 2.88Å; V307-A310 VanDerWaalsContact O-N 3.11Å; A310-S312 VanDerWaalsContact C-N 3.34Å; A310-S312 PolarHBondContact O-N 3.48Å; A310-K313 PolarHBondContact O-N 3.27Å; A310-K314 PolarHBondContact O-N 2.96Å
311	L	98	Very high	95.9	Very high	13 Å²	13	49.2 Å²	49.2	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-43.7	175.6	-65.8	179.9	0	0	0	111.4	L295 I299 V307 K313 K314 A315 L351 H354 A358	L295-L311 HydrophobicContact CD1-CD2 4.28Å; L295-L311 HydrophobicContact CD2-CD2 4.16Å; I299-L311 HydrophobicContact CD1-CD2 4.1Å; V307-L311 HydrophobicContact CG1-CD1 3.85Å; V307-L311 HydrophobicContact CG1-CG 3.96Å; V307-L311 WeakPolarHBondContact O-CG 3.32Å; V307-L311 PolarHBondContact O-N 3.06Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 2.79Å; L311-K314 PolarHBondContact O-N 3.37Å; L311-A315 WeakPolarHBondContact O-CB 3.47Å; L311-A315 PolarHBondContact O-N 3.47Å; L311-L351 HydrophobicContact CB-CD1 4.33Å; L311-L351 HydrophobicContact CD2-CD1 4.01Å; L311-H354 HydrophobicContact CD2-CB 4.11Å; L311-A358 HydrophobicContact CD1-CB 3.86Å
312	S	97.4	Very high	95.2	Very high	69 Å²	69	50.1 Å²	50.1	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-40.5	177.6	-62	0	0	0	0	112.4	G308 A309 A310 K316	G308-S312 WeakPolarHBondContact O-CB 3.46Å; G308-S312 PolarHBondContact O-N 3.29Å; G308-S312 PolarHBondContact O-OG 3.36Å; A309-S312 PolarHBondContact O-N 2.93Å; A310-S312 VanDerWaalsContact C-N 3.34Å; A310-S312 PolarHBondContact O-N 3.48Å; S312-K316 WeakPolarHBondContact O-CG 3.38Å; S312-K316 PolarHBondContact O-N 3.48Å
313	K	96.5	Very high	94.6	Very high	134 Å²	134	52.9 Å²	52.9	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-63.6	-47	175.4	-176.1	-177.5	177.2	-174	0	111.1	A309 A310 L311 A315 K316 I317	A309-K313 WeakPolarHBondContact O-CB 3.46Å; A309-K313 PolarHBondContact O-N 3.01Å; A310-K313 PolarHBondContact O-N 3.27Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 2.79Å; K313-A315 PolarHBondContact O-N 2.87Å; K313-K316 PolarHBondContact O-N 3.03Å; K313-I317 HydrophobicContact CG-CD1 4.22Å; K313-I317 WeakPolarHBondContact O-CG1 3.35Å; K313-I317 PolarHBondContact O-N 2.89Å; K313-I317 VanDerWaalsContact O-N 3.14Å
314	K	95.4	Very high	93.7	Very high	33 Å²	33	59.4 Å²	59.4	14%	0.143	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-36.9	178.5	-74	-79.8	-172.7	178.2	0	112.6	E294 L295 E298 A310 L311 K316 I317 I318 L351	E294-K314 IonicContact OE1-NZ 3.82Å; E294-K314 PolarHBondContact OE1-NZ 3.26Å; L295-K314 HydrophobicContact CD1-CB 4.17Å; L295-K314 HydrophobicContact CD1-CD 4.34Å; L295-K314 HydrophobicContact CD1-CG 3.74Å; E298-K314 WeakPolarHBondContact OE2-CE 3.43Å; E298-K314 IonicContact OE2-NZ 2.8Å; E298-K314 PolarHBondContact OE2-NZ 2.96Å; A310-K314 PolarHBondContact O-N 2.96Å; L311-K314 PolarHBondContact O-N 3.37Å; K314-K316 PolarHBondContact O-N 3.39Å; K314-I317 PolarHBondContact O-N 2.8Å; K314-I318 WeakPolarHBondContact O-CG1 3.42Å; K314-I318 PolarHBondContact O-N 2.72Å; K314-L351 HydrophobicContact CB-CD1 4.49Å
315	A	95.3	Very high	92.5	Very high	33 Å²	33	65 Å²	65	27%	0.273	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-46.5	172.5	0	0	0	0	0	112.1	L311 K313 I317 I318 S319 L351	L311-A315 WeakPolarHBondContact O-CB 3.47Å; L311-A315 PolarHBondContact O-N 3.47Å; K313-A315 PolarHBondContact O-N 2.87Å; A315-I317 PolarHBondContact O-N 3.2Å; A315-I318 PolarHBondContact O-N 2.83Å; A315-S319 WeakPolarHBondContact O-CB 3.4Å; A315-S319 PolarHBondContact O-N 2.82Å; A315-S319 PolarHBondContact O-OG 2.78Å; A315-S319 VanDerWaalsContact O-OG 3.09Å; A315-L351 VanDerWaalsContact CA-CD2 3.48Å; A315-L351 HydrophobicContact CB-CD2 3.72Å
316	K	96.4	Very high	91.3	Very high	164 Å²	164	67.5 Å²	67.5	71%	0.713	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-43.2	176.8	-70.4	176.4	-179	-180	0	112.4	S312 K313 K314 S319 A320	S312-K316 WeakPolarHBondContact O-CG 3.38Å; S312-K316 PolarHBondContact O-N 3.48Å; K313-K316 PolarHBondContact O-N 3.03Å; K314-K316 PolarHBondContact O-N 3.39Å; K316-S319 PolarHBondContact O-N 3.4Å; K316-A320 WeakPolarHBondContact O-CB 3.25Å; K316-A320 PolarHBondContact O-N 3.25Å
317	I	93.5	Very high	90.4	Very high	91 Å²	91	72.9 Å²	72.9	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-62	-48.3	178.2	-66.8	166.2	0	0	0	110.8	K313 K314 A315 A320 A321	K313-I317 HydrophobicContact CG-CD1 4.22Å; K313-I317 WeakPolarHBondContact O-CG1 3.35Å; K313-I317 PolarHBondContact O-N 2.89Å; K313-I317 VanDerWaalsContact O-N 3.14Å; K314-I317 PolarHBondContact O-N 2.8Å; A315-I317 PolarHBondContact O-N 3.2Å; I317-A320 PolarHBondContact O-N 2.91Å; I317-A321 PolarHBondContact O-N 2.96Å; I317-A321 VanDerWaalsContact O-N 3.09Å
318	I	91.3	Very high	89.5	Confident	24 Å²	24	74.1 Å²	74.1	12%	0.123	40%	0.403	C	S	.	.	H	α-helix	trans	-64.3	-45	-179.6	-69.1	170.8	0	0	0	110.5	K314 A315 A320 A321 F322 A347 R348 L351	K314-I318 WeakPolarHBondContact O-CG1 3.42Å; K314-I318 PolarHBondContact O-N 2.72Å; A315-I318 PolarHBondContact O-N 2.83Å; I318-A320 PolarHBondContact O-N 3.41Å; I318-A321 PolarHBondContact O-N 3.08Å; I318-F322 HydrophobicContact CG2-CD2 3.8Å; I318-F322 HydrophobicContact CG2-CE2 3.8Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.37Å; I318-F322 PolarHBondContact O-N 3.05Å; I318-F322 VanDerWaalsContact O-N 3.09Å; I318-A347 HydrophobicContact CD1-CB 3.94Å; I318-A347 HydrophobicContact CG1-CB 4.4Å; I318-R348 HydrophobicContact CG2-CB 4.24Å; I318-L351 HydrophobicContact CD1-CB 4.11Å; I318-L351 HydrophobicContact CD1-CD2 3.97Å
319	S	90.6	Very high	88.8	Confident	65 Å²	65	81.1 Å²	81.1	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-59.1	-46.4	177.3	-67.2	0	0	0	0	112.2	A315 K316 A321 F322 E323	A315-S319 WeakPolarHBondContact O-CB 3.4Å; A315-S319 PolarHBondContact O-N 2.82Å; A315-S319 PolarHBondContact O-OG 2.78Å; A315-S319 VanDerWaalsContact O-OG 3.09Å; K316-S319 PolarHBondContact O-N 3.4Å; S319-A321 VanDerWaalsContact C-N 3.34Å; S319-A321 PolarHBondContact O-N 3.37Å; S319-F322 PolarHBondContact O-N 3.15Å; S319-F322 VanDerWaalsContact O-N 3.14Å; S319-E323 PolarHBondContact O-N 2.87Å
320	A	90.8	Very high	88.3	Confident	52 Å²	52	81.6 Å²	81.6	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-59.8	-42.3	177.7	0	0	0	0	0	112.3	K316 I317 I318 F322 E323 E324	K316-A320 WeakPolarHBondContact O-CB 3.25Å; K316-A320 PolarHBondContact O-N 3.25Å; I317-A320 PolarHBondContact O-N 2.91Å; I318-A320 PolarHBondContact O-N 3.41Å; A320-F322 VanDerWaalsContact C-N 3.32Å; A320-F322 PolarHBondContact O-N 3.5Å; A320-E323 PolarHBondContact O-N 3.22Å; A320-E323 VanDerWaalsContact O-N 3.16Å; A320-E324 PolarHBondContact O-N 3.22Å
321	A	87.4	Confident	87.6	Confident	27 Å²	27	86.1 Å²	86.1	22%	0.223	44%	0.444	C	S	.	.	H	α-helix	trans	-63.9	-34.9	176.8	0	0	0	0	0	112.5	I317 I318 S319 M344	I317-A321 PolarHBondContact O-N 2.96Å; I317-A321 VanDerWaalsContact O-N 3.09Å; I318-A321 PolarHBondContact O-N 3.08Å; S319-A321 VanDerWaalsContact C-N 3.34Å; S319-A321 PolarHBondContact O-N 3.37Å; A321-M344 HydrophobicContact CB-CE 3.54Å; A321-M344 HydrophobicContact CB-SD 4.49Å; A321-M344 WeakPolarHBondContact O-CE 3.42Å
322	F	85.6	Confident	87.1	Confident	39 Å²	39	87.8 Å²	87.8	17%	0.171	46%	0.464	C	S	.	.	H	α-helix	trans	-74.9	-26.9	174	-85.5	-77.8	0	0	0	113.2	I318 S319 A320 R325 H326 L341 M344 R348	I318-F322 HydrophobicContact CG2-CD2 3.8Å; I318-F322 HydrophobicContact CG2-CE2 3.8Å; I318-F322 VanDerWaalsContact O-CD2 3.31Å; I318-F322 WeakPolarHBondContact O-CD2 3.37Å; I318-F322 PolarHBondContact O-N 3.05Å; I318-F322 VanDerWaalsContact O-N 3.09Å; S319-F322 PolarHBondContact O-N 3.15Å; S319-F322 VanDerWaalsContact O-N 3.14Å; A320-F322 VanDerWaalsContact C-N 3.32Å; A320-F322 PolarHBondContact O-N 3.5Å; F322-R325 VanDerWaalsContact O-CB 3.25Å; F322-R325 WeakPolarHBondContact O-CB 3.38Å; F322-H326 PolarHBondContact O-ND1 3.04Å; F322-H326 VanDerWaalsContact O-ND1 3.11Å; F322-L341 HydrophobicContact CE1-CD1 4.06Å; F322-M344 HydrophobicContact CB-CE 4.39Å; F322-M344 HydrophobicContact CD1-CE 4Å; F322-M344 HydrophobicContact CD2-CE 3.68Å; F322-M344 HydrophobicContact CE1-CE 4.16Å; F322-M344 HydrophobicContact CE2-CB 3.97Å; F322-M344 HydrophobicContact CE2-CE 3.84Å; F322-M344 HydrophobicContact CG-CE 3.75Å; F322-M344 HydrophobicContact CZ-CB 3.84Å; F322-M344 HydrophobicContact CZ-CE 4.08Å; F322-R348 HydrophobicContact CE2-CB 4.32Å
323	E	85.4	Confident	86.5	Confident	127 Å²	127	88.4 Å²	88.4	59%	0.593	46%	0.46	S	S	*	.	H	α-helix	trans	-72.1	-36.9	172.9	-75.2	177.8	-177.4	0	0	112	S319 A320 R325 H326	S319-E323 PolarHBondContact O-N 2.87Å; A320-E323 PolarHBondContact O-N 3.22Å; A320-E323 VanDerWaalsContact O-N 3.16Å; E323-R325 PolarHBondContact O-N 3.37Å; E323-R325 VanDerWaalsContact O-N 3.14Å; E323-H326 WeakPolarHBondContact O-CB 3.41Å; E323-H326 PolarHBondContact O-N 2.86Å
324	E	79.9	Confident	86	Confident	139 Å²	139	86.2 Å²	86.2	65%	0.65	45%	0.454	S	S	*	.	H	α-helix	trans	-53	-34.9	173.3	-97.5	-175.6	158.7	0	0	112.7	A320 H326 N327 A328	A320-E324 PolarHBondContact O-N 3.22Å; E324-H326 VanDerWaalsContact C-N 3.28Å; E324-H326 PolarHBondContact O-N 2.82Å; E324-N327 PolarHBondContact O-N 3.47Å; E324-A328 PolarHBondContact O-N 3.25Å; E324-A328 VanDerWaalsContact O-N 3.16Å
325	R	72.7	Confident	85.5	Confident	144 Å²	144	92 Å²	92	54%	0.543	48%	0.479	S	S	.	.	H	α-helix	trans	-52.1	-45.5	171.2	-172.3	-165.8	170.2	-152.7	-2.5	112.9	F322 E323 N327 A328 F337	F322-R325 VanDerWaalsContact O-CB 3.25Å; F322-R325 WeakPolarHBondContact O-CB 3.38Å; E323-R325 PolarHBondContact O-N 3.37Å; E323-R325 VanDerWaalsContact O-N 3.14Å; R325-N327 PolarHBondContact O-N 3.42Å; R325-A328 PolarHBondContact O-N 3.14Å; R325-F337 HydrophobicContact CB-CD1 4.37Å; R325-F337 HydrophobicContact CB-CD2 3.96Å; R325-F337 HydrophobicContact CB-CE1 3.96Å; R325-F337 HydrophobicContact CB-CE2 3.5Å; R325-F337 VanDerWaalsContact CB-CE2 3.5Å; R325-F337 HydrophobicContact CB-CG 4.38Å; R325-F337 HydrophobicContact CB-CZ 3.5Å; R325-F337 HydrophobicContact CG-CD1 3.82Å; R325-F337 HydrophobicContact CG-CD2 4.31Å; R325-F337 HydrophobicContact CG-CE1 3.46Å; R325-F337 VanDerWaalsContact CG-CE1 3.46Å; R325-F337 HydrophobicContact CG-CE2 3.99Å; R325-F337 HydrophobicContact CG-CG 4.24Å; R325-F337 HydrophobicContact CG-CZ 3.56Å
326	H	73.6	Confident	85.1	Confident	147 Å²	147	96 Å²	96	68%	0.681	49%	0.492	S	S	*	.	H	α-helix	trans	-69.7	-18.9	-175.2	-65.8	82.7	0	0	0	111.3	F322 E323 E324	F322-H326 PolarHBondContact O-ND1 3.04Å; F322-H326 VanDerWaalsContact O-ND1 3.11Å; E323-H326 WeakPolarHBondContact O-CB 3.41Å; E323-H326 PolarHBondContact O-N 2.86Å; E324-H326 VanDerWaalsContact C-N 3.28Å; E324-H326 PolarHBondContact O-N 2.82Å
327	N	78.2	Confident	84.6	Confident	118 Å²	118	89.3 Å²	89.3	63%	0.631	46%	0.462	S	S	*	.	H	α-helix	trans	-96.8	-10.7	179.3	-65.6	-37.4	0	0	0	114	E324 R325 K329	E324-N327 PolarHBondContact O-N 3.47Å; R325-N327 PolarHBondContact O-N 3.42Å; N327-K329 PolarHBondContact O-N 3.16Å
328	A	78.9	Confident	84.3	Confident	27 Å²	27	89.2 Å²	89.2	22%	0.223	47%	0.466	C	S	.	.			trans	-67.3	121.7	179.5	0	0	0	0	0	111.4	E324 R325 E333 I334	E324-A328 PolarHBondContact O-N 3.25Å; E324-A328 VanDerWaalsContact O-N 3.16Å; R325-A328 PolarHBondContact O-N 3.14Å; A328-E333 WeakPolarHBondContact CA-OE2 3.5Å; A328-E333 HydrophobicContact CB-CB 3.9Å; A328-I334 HydrophobicContact CB-CG1 4.32Å
329	K	83.1	Confident	84.3	Confident	189 Å²	189	92.2 Å²	92.2	82%	0.822	49%	0.489	S	S	*	.			trans	-116.1	-22.9	-175.6	-68.9	178.1	-174.6	178.1	0	113.2	N327 E333	N327-K329 PolarHBondContact O-N 3.16Å; K329-E333 PolarHBondContact N-OE2 3.07Å
330	T	87.4	Confident	84.2	Confident	69 Å²	69	93.6 Å²	93.6	42%	0.423	49%	0.489	S	S	.	.	S	Bend	trans	-97.4	153.2	-178.7	71.8	0	0	0	0	112.3	G332 E333 I334	T330-G332 PolarHBondContact O-N 3.3Å; T330-E333 PolarHBondContact N-OE2 3.21Å; T330-E333 VanDerWaalsContact N-OE2 3.14Å; T330-E333 PolarHBondContact O-N 3.42Å; T330-E333 VanDerWaalsContact OG1-CG 3.22Å; T330-E333 WeakPolarHBondContact OG1-CG 3.25Å; T330-E333 PolarHBondContact OG1-N 2.99Å; T330-E333 PolarHBondContact OG1-OE1 3.37Å; T330-E333 VanDerWaalsContact OG1-OE1 3.08Å; T330-E333 PolarHBondContact OG1-OE2 3.08Å; T330-I334 WeakPolarHBondContact O-CG1 3.29Å; T330-I334 PolarHBondContact O-N 3.44Å
331	V	83.2	Confident	84	Confident	105 Å²	105	93.5 Å²	93.5	64%	0.636	48%	0.48	S	S	*	.	H	α-helix	trans	-60.4	-31.4	174.9	178.4	0	0	0	0	111.5	K335	V331-K335 WeakPolarHBondContact O-CB 3.43Å; V331-K335 WeakPolarHBondContact O-CG 3.47Å; V331-K335 PolarHBondContact O-N 3.34Å
332	G	87.3	Confident	84.2	Confident	47 Å²	47	96.2 Å²	96.2	49%	0.485	50%	0.496	S	S	.	.	H	α-helix	trans	-65	-50.5	175.5	0	0	0	0	0	112.4	T330 I334 K335 Q336	T330-G332 PolarHBondContact O-N 3.3Å; G332-I334 VanDerWaalsContact C-N 3.34Å; G332-I334 PolarHBondContact O-N 3.1Å; G332-K335 PolarHBondContact O-N 3.47Å; G332-Q336 PolarHBondContact O-N 3.06Å
333	E	84.9	Confident	84.5	Confident	83 Å²	83	100.1 Å²	100.1	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-60.5	-42.2	177.2	-72.1	154	-152.9	0	0	111.9	A328 K329 T330 K335 Q336 F337	A328-E333 WeakPolarHBondContact CA-OE2 3.5Å; A328-E333 HydrophobicContact CB-CB 3.9Å; K329-E333 PolarHBondContact N-OE2 3.07Å; T330-E333 PolarHBondContact N-OE2 3.21Å; T330-E333 VanDerWaalsContact N-OE2 3.14Å; T330-E333 PolarHBondContact O-N 3.42Å; T330-E333 VanDerWaalsContact OG1-CG 3.22Å; T330-E333 WeakPolarHBondContact OG1-CG 3.25Å; T330-E333 PolarHBondContact OG1-N 2.99Å; T330-E333 PolarHBondContact OG1-OE1 3.37Å; T330-E333 VanDerWaalsContact OG1-OE1 3.08Å; T330-E333 PolarHBondContact OG1-OE2 3.08Å; E333-K335 PolarHBondContact O-N 3.26Å; E333-Q336 PolarHBondContact O-N 2.95Å; E333-F337 WeakPolarHBondContact O-CB 3.42Å; E333-F337 PolarHBondContact O-N 3.08Å
334	I	84.2	Confident	84.6	Confident	88 Å²	88	94.9 Å²	94.9	45%	0.451	49%	0.49	S	S	.	.	H	α-helix	trans	-62.7	-44.8	176.9	-66	168.5	0	0	0	110.6	A328 T330 G332 F337 V338	A328-I334 HydrophobicContact CB-CG1 4.32Å; T330-I334 WeakPolarHBondContact O-CG1 3.29Å; T330-I334 PolarHBondContact O-N 3.44Å; G332-I334 VanDerWaalsContact C-N 3.34Å; G332-I334 PolarHBondContact O-N 3.1Å; I334-F337 PolarHBondContact O-N 2.78Å; I334-V338 HydrophobicContact CG2-CG2 4.28Å; I334-V338 WeakPolarHBondContact O-CB 3.12Å; I334-V338 VanDerWaalsContact O-CG2 3.23Å; I334-V338 WeakPolarHBondContact O-CG2 3.48Å; I334-V338 PolarHBondContact O-N 2.84Å
335	K	86.4	Confident	85.1	Confident	154 Å²	154	93.6 Å²	93.6	67%	0.67	48%	0.484	S	S	*	.	H	α-helix	trans	-61.9	-43.6	177.2	-80.7	-177	177.9	-175.7	0	112	V331 G332 E333 V338 S339	V331-K335 WeakPolarHBondContact O-CB 3.43Å; V331-K335 WeakPolarHBondContact O-CG 3.47Å; V331-K335 PolarHBondContact O-N 3.34Å; G332-K335 PolarHBondContact O-N 3.47Å; E333-K335 PolarHBondContact O-N 3.26Å; K335-V338 PolarHBondContact O-N 3.34Å; K335-S339 PolarHBondContact O-N 3.25Å; K335-S339 VanDerWaalsContact O-N 3.1Å
336	Q	86.4	Confident	86.1	Confident	118 Å²	118	89.5 Å²	89.5	55%	0.551	48%	0.481	S	S	*	.	H	α-helix	trans	-61.7	-47.1	177	-176.2	176.5	-6.9	0	0	111.1	G332 E333 V338 S339 Q340	G332-Q336 PolarHBondContact O-N 3.06Å; E333-Q336 PolarHBondContact O-N 2.95Å; Q336-V338 PolarHBondContact O-N 3.03Å; Q336-S339 PolarHBondContact O-N 3.07Å; Q336-S339 PolarHBondContact O-OG 2.9Å; Q336-Q340 PolarHBondContact O-N 3.21Å
337	F	86	Confident	87	Confident	22 Å²	22	83.9 Å²	83.9	10%	0.096	46%	0.46	C	S	.	.	H	α-helix	trans	-60.8	-47.3	177.4	-178.4	-90.2	0	0	0	112.4	R325 E333 I334 S339 Q340 L341 M344	R325-F337 HydrophobicContact CB-CD1 4.37Å; R325-F337 HydrophobicContact CB-CD2 3.96Å; R325-F337 HydrophobicContact CB-CE1 3.96Å; R325-F337 HydrophobicContact CB-CE2 3.5Å; R325-F337 VanDerWaalsContact CB-CE2 3.5Å; R325-F337 HydrophobicContact CB-CG 4.38Å; R325-F337 HydrophobicContact CB-CZ 3.5Å; R325-F337 HydrophobicContact CG-CD1 3.82Å; R325-F337 HydrophobicContact CG-CD2 4.31Å; R325-F337 HydrophobicContact CG-CE1 3.46Å; R325-F337 VanDerWaalsContact CG-CE1 3.46Å; R325-F337 HydrophobicContact CG-CE2 3.99Å; R325-F337 HydrophobicContact CG-CG 4.24Å; R325-F337 HydrophobicContact CG-CZ 3.56Å; E333-F337 WeakPolarHBondContact O-CB 3.42Å; E333-F337 PolarHBondContact O-N 3.08Å; I334-F337 PolarHBondContact O-N 2.78Å; F337-S339 PolarHBondContact O-N 2.98Å; F337-Q340 PolarHBondContact O-N 3.37Å; F337-L341 HydrophobicContact CE1-CB 4.4Å; F337-L341 HydrophobicContact CE1-CD1 3.93Å; F337-L341 HydrophobicContact CZ-CD1 4.08Å; F337-L341 PolarHBondContact O-N 2.71Å; F337-M344 HydrophobicContact CD2-SD 4.4Å; F337-M344 HydrophobicContact CE2-CE 3.84Å; F337-M344 HydrophobicContact CE2-SD 3.72Å; F337-M344 HydrophobicContact CZ-CE 4.23Å; F337-M344 HydrophobicContact CZ-SD 4.18Å
338	V	87.1	Confident	87.7	Confident	89 Å²	89	85.8 Å²	85.8	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-59	-34.9	179	169.6	0	0	0	0	111.2	I334 K335 Q336 Q340	I334-V338 HydrophobicContact CG2-CG2 4.28Å; I334-V338 WeakPolarHBondContact O-CB 3.12Å; I334-V338 VanDerWaalsContact O-CG2 3.23Å; I334-V338 WeakPolarHBondContact O-CG2 3.48Å; I334-V338 PolarHBondContact O-N 2.84Å; K335-V338 PolarHBondContact O-N 3.34Å; Q336-V338 PolarHBondContact O-N 3.03Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.34Å
339	S	90.3	Very high	88.4	Confident	88 Å²	88	87.6 Å²	87.6	62%	0.615	47%	0.47	S	S	*	.	H	α-helix	trans	-67.7	-30.7	175.8	77.7	0	0	0	0	113.7	K335 Q336 F337	K335-S339 PolarHBondContact O-N 3.25Å; K335-S339 VanDerWaalsContact O-N 3.1Å; Q336-S339 PolarHBondContact O-N 3.07Å; Q336-S339 PolarHBondContact O-OG 2.9Å; F337-S339 PolarHBondContact O-N 2.98Å
340	Q	88.8	Confident	89.1	Confident	94 Å²	94	79 Å²	79	44%	0.439	43%	0.433	S	S	.	.	H	α-helix	trans	-91.1	-17.5	-179.3	-67.1	-179	-14.3	0	0	113.3	Q336 F337 V338 P342 H343 M344	Q336-Q340 PolarHBondContact O-N 3.21Å; F337-Q340 PolarHBondContact O-N 3.37Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.34Å; Q340-P342 VanDerWaalsContact C-CD 3.47Å; Q340-H343 WeakPolarHBondContact O-CB 3.16Å; Q340-H343 PolarHBondContact O-N 3.11Å; Q340-M344 HydrophobicContact CB-SD 4.46Å; Q340-M344 PolarHBondContact O-N 2.92Å
341	L	87.8	Confident	89.5	Confident	49 Å²	49	76.7 Å²	76.7	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-51.9	-43	-175.8	-179	63.3	0	0	0	114.4	F322 F337 H343 M344 Q345	F322-L341 HydrophobicContact CE1-CD1 4.06Å; F337-L341 HydrophobicContact CE1-CB 4.4Å; F337-L341 HydrophobicContact CE1-CD1 3.93Å; F337-L341 HydrophobicContact CZ-CD1 4.08Å; F337-L341 PolarHBondContact O-N 2.71Å; L341-H343 VanDerWaalsContact C-N 3.33Å; L341-H343 PolarHBondContact O-N 3.31Å; L341-M344 PolarHBondContact O-N 3.21Å; L341-Q345 HydrophobicContact CD1-CG 4.12Å; L341-Q345 HydrophobicContact CG-CG 4.39Å; L341-Q345 WeakPolarHBondContact O-CB 3.45Å; L341-Q345 WeakPolarHBondContact O-CG 3.43Å; L341-Q345 PolarHBondContact O-N 3.49Å
342	P	91.9	Very high	90.2	Very high	84 Å²	84	74.2 Å²	74.2	55%	0.545	41%	0.409	S	S	.	.	H	α-helix	trans	-61.1	-40.9	177.7	-23.8	35	0	0	0	112.9	Q340 Q345 A346	Q340-P342 VanDerWaalsContact C-CD 3.47Å; P342-Q345 PolarHBondContact O-N 2.94Å; P342-A346 WeakPolarHBondContact O-CB 3.44Å; P342-A346 PolarHBondContact O-N 3.12Å
343	H	90	Very high	90.6	Very high	122 Å²	122	73.2 Å²	73.2	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-66.3	-42.5	177.5	177.6	69.7	0	0	0	111.1	Q340 L341 Q345 A346 A347	Q340-H343 WeakPolarHBondContact O-CB 3.16Å; Q340-H343 PolarHBondContact O-N 3.11Å; L341-H343 VanDerWaalsContact C-N 3.33Å; L341-H343 PolarHBondContact O-N 3.31Å; H343-Q345 PolarHBondContact O-N 3.41Å; H343-A346 PolarHBondContact O-N 2.52Å; H343-A347 WeakPolarHBondContact O-CB 3.5Å; H343-A347 PolarHBondContact O-N 2.93Å
344	M	88.7	Confident	91.2	Very high	17 Å²	17	69.3 Å²	69.3	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-38.4	176.1	-64.3	175.8	62.1	0	0	113	A321 F322 F337 Q340 L341 A347 R348	A321-M344 HydrophobicContact CB-CE 3.54Å; A321-M344 HydrophobicContact CB-SD 4.49Å; A321-M344 WeakPolarHBondContact O-CE 3.42Å; F322-M344 HydrophobicContact CB-CE 4.39Å; F322-M344 HydrophobicContact CD1-CE 4Å; F322-M344 HydrophobicContact CD2-CE 3.68Å; F322-M344 HydrophobicContact CE1-CE 4.16Å; F322-M344 HydrophobicContact CE2-CB 3.97Å; F322-M344 HydrophobicContact CE2-CE 3.84Å; F322-M344 HydrophobicContact CG-CE 3.75Å; F322-M344 HydrophobicContact CZ-CB 3.84Å; F322-M344 HydrophobicContact CZ-CE 4.08Å; F337-M344 HydrophobicContact CD2-SD 4.4Å; F337-M344 HydrophobicContact CE2-CE 3.84Å; F337-M344 HydrophobicContact CE2-SD 3.72Å; F337-M344 HydrophobicContact CZ-CE 4.23Å; F337-M344 HydrophobicContact CZ-SD 4.18Å; Q340-M344 HydrophobicContact CB-SD 4.46Å; Q340-M344 PolarHBondContact O-N 2.92Å; L341-M344 PolarHBondContact O-N 3.21Å; M344-A347 PolarHBondContact O-N 2.87Å; M344-R348 WeakPolarHBondContact O-CB 3.41Å; M344-R348 PolarHBondContact O-N 3.49Å
345	Q	91.2	Very high	91.9	Very high	111 Å²	111	67.5 Å²	67.5	52%	0.519	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-42.2	174.5	-75.2	177.1	-14.4	0	0	111.6	L341 P342 H343 R348 S349	L341-Q345 HydrophobicContact CD1-CG 4.12Å; L341-Q345 HydrophobicContact CG-CG 4.39Å; L341-Q345 WeakPolarHBondContact O-CB 3.45Å; L341-Q345 WeakPolarHBondContact O-CG 3.43Å; L341-Q345 PolarHBondContact O-N 3.49Å; P342-Q345 PolarHBondContact O-N 2.94Å; H343-Q345 PolarHBondContact O-N 3.41Å; Q345-R348 PolarHBondContact O-N 2.93Å; Q345-S349 PolarHBondContact O-N 3.47Å
346	A	91.9	Very high	92.4	Very high	59 Å²	59	61 Å²	61	49%	0.488	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-46.6	173.8	0	0	0	0	0	111.2	P342 H343 R348 S349 S350	P342-A346 WeakPolarHBondContact O-CB 3.44Å; P342-A346 PolarHBondContact O-N 3.12Å; H343-A346 PolarHBondContact O-N 2.52Å; A346-R348 VanDerWaalsContact C-N 3.34Å; A346-R348 PolarHBondContact O-N 3.38Å; A346-S349 PolarHBondContact O-N 2.9Å; A346-S350 VanDerWaalsContact O-CB 3.3Å; A346-S350 WeakPolarHBondContact O-CB 3.34Å; A346-S350 PolarHBondContact O-N 3.19Å
347	A	93.1	Very high	93	Very high	29 Å²	29	55.6 Å²	55.6	24%	0.24	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-39.9	176.4	0	0	0	0	0	112.5	I318 H343 M344 S350 L351	I318-A347 HydrophobicContact CD1-CB 3.94Å; I318-A347 HydrophobicContact CG1-CB 4.4Å; H343-A347 WeakPolarHBondContact O-CB 3.5Å; H343-A347 PolarHBondContact O-N 2.93Å; M344-A347 PolarHBondContact O-N 2.87Å; A347-S350 WeakPolarHBondContact O-CB 3.36Å; A347-S350 PolarHBondContact O-N 3.14Å; A347-L351 WeakPolarHBondContact O-CB 3.48Å; A347-L351 PolarHBondContact O-N 3.32Å
348	R	93.4	Very high	93.6	Very high	157 Å²	157	55.2 Å²	55.2	59%	0.592	32%	0.317	S	S	*	.	H	α-helix	trans	-66	-41.3	174.9	-176.3	178.1	175.4	177.4	-0.1	112.2	I318 F322 M344 Q345 A346 A352	I318-R348 HydrophobicContact CG2-CB 4.24Å; F322-R348 HydrophobicContact CE2-CB 4.32Å; M344-R348 WeakPolarHBondContact O-CB 3.41Å; M344-R348 PolarHBondContact O-N 3.49Å; Q345-R348 PolarHBondContact O-N 2.93Å; A346-R348 VanDerWaalsContact C-N 3.34Å; A346-R348 PolarHBondContact O-N 3.38Å; R348-A352 WeakPolarHBondContact O-CB 3.36Å; R348-A352 PolarHBondContact O-N 3Å
349	S	94.4	Very high	94.1	Very high	66 Å²	66	55.2 Å²	55.2	46%	0.462	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-40.8	175.9	-172.4	0	0	0	0	111.6	Q345 A346 A352 N353	Q345-S349 PolarHBondContact O-N 3.47Å; A346-S349 PolarHBondContact O-N 2.9Å; S349-A352 PolarHBondContact O-N 2.88Å; S349-N353 VanDerWaalsContact O-CG 3.23Å; S349-N353 PolarHBondContact O-N 3.32Å; S349-N353 PolarHBondContact O-ND2 2.79Å
350	S	96	Very high	94.5	Very high	8 Å²	8	51.8 Å²	51.8	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-53.4	173.7	174	0	0	0	0	110.8	E293 L295 A346 A347 A352 N353 H354	E293-S350 WeakPolarHBondContact OE1-CA 3.46Å; E293-S350 WeakPolarHBondContact OE1-CB 3.48Å; E293-S350 PolarHBondContact OE1-OG 3.47Å; L295-S350 WeakPolarHBondContact CB-OG 3.34Å; A346-S350 VanDerWaalsContact O-CB 3.3Å; A346-S350 WeakPolarHBondContact O-CB 3.34Å; A346-S350 PolarHBondContact O-N 3.19Å; A347-S350 WeakPolarHBondContact O-CB 3.36Å; A347-S350 PolarHBondContact O-N 3.14Å; S350-A352 VanDerWaalsContact C-N 3.34Å; S350-A352 PolarHBondContact O-N 2.98Å; S350-N353 PolarHBondContact O-N 3.45Å; S350-H354 PolarHBondContact O-CD2 2.86Å; S350-H354 VanDerWaalsContact O-CD2 3.23Å; S350-H354 PolarHBondContact O-N 3.42Å
351	L	97.3	Very high	95	Very high	20 Å²	20	47.3 Å²	47.3	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-56	-47.6	176.6	178.3	64.2	0	0	0	111.8	L295 L311 K314 A315 I318 A347 N353 H354 T355	L295-L351 HydrophobicContact CD2-CB 4.13Å; L295-L351 HydrophobicContact CD2-CD1 4.16Å; L311-L351 HydrophobicContact CB-CD1 4.33Å; L311-L351 HydrophobicContact CD2-CD1 4.01Å; K314-L351 HydrophobicContact CB-CD1 4.49Å; A315-L351 VanDerWaalsContact CA-CD2 3.48Å; A315-L351 HydrophobicContact CB-CD2 3.72Å; I318-L351 HydrophobicContact CD1-CB 4.11Å; I318-L351 HydrophobicContact CD1-CD2 3.97Å; A347-L351 WeakPolarHBondContact O-CB 3.48Å; A347-L351 PolarHBondContact O-N 3.32Å; L351-N353 PolarHBondContact O-N 2.83Å; L351-H354 PolarHBondContact O-N 3.2Å; L351-T355 WeakPolarHBondContact O-CB 3.44Å; L351-T355 PolarHBondContact O-N 3.36Å; L351-T355 PolarHBondContact O-OG1 2.96Å
352	A	96.3	Very high	95.4	Very high	53 Å²	53	50.9 Å²	50.9	44%	0.438	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-45.5	178.5	0	0	0	0	0	112.2	R348 S349 S350 T355 S356	R348-A352 WeakPolarHBondContact O-CB 3.36Å; R348-A352 PolarHBondContact O-N 3Å; S349-A352 PolarHBondContact O-N 2.88Å; S350-A352 VanDerWaalsContact C-N 3.34Å; S350-A352 PolarHBondContact O-N 2.98Å; A352-T355 PolarHBondContact O-N 3.22Å; A352-S356 PolarHBondContact O-N 3.09Å; A352-S356 VanDerWaalsContact O-N 3.07Å; A352-S356 PolarHBondContact O-OG 3.03Å
353	N	96.9	Very high	95.7	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-49.3	177.2	-69.7	-27.9	0	0	0	111.2	F268 L287 S349 S350 L351 S356 V357	F268-N353 HydrophobicContact CE1-CB 4.36Å; L287-N353 HydrophobicContact CD1-CB 4.15Å; S349-N353 VanDerWaalsContact O-CG 3.23Å; S349-N353 PolarHBondContact O-N 3.32Å; S349-N353 PolarHBondContact O-ND2 2.79Å; S350-N353 PolarHBondContact O-N 3.45Å; L351-N353 PolarHBondContact O-N 2.83Å; N353-S356 PolarHBondContact O-N 3.5Å; N353-V357 WeakPolarHBondContact O-CG2 3.35Å; N353-V357 PolarHBondContact O-N 3.28Å
354	H	98.1	Very high	96.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-72.7	-27.1	-176.8	-73.6	-65.4	0	0	0	113.5	Y246 E293 L295 Y296 I299 L311 S350 L351 A358	Y246-H354 AromaticContact CE1-ND1 3.64Å; Y246-H354 AromaticContact CZ-ND1 3.65Å; Y246-H354 PolarHBondContact OH-ND1 2.93Å; E293-H354 IonicContact OE1-CD2 3.36Å; E293-H354 IonicContact OE1-NE2 2.94Å; E293-H354 PolarHBondContact OE1-NE2 3.47Å; E293-H354 IonicContact OE2-NE2 2.94Å; E293-H354 PolarHBondContact OE2-NE2 3.29Å; L295-H354 HydrophobicContact CD2-CB 4.13Å; Y296-H354 AromaticContact CD2-CE1 3.37Å; Y296-H354 WeakPolarHBondContact CD2-CE1 3.35Å; Y296-H354 AromaticContact CD2-NE2 3.99Å; I299-H354 HydrophobicContact CD1-CB 4Å; L311-H354 HydrophobicContact CD2-CB 4.11Å; S350-H354 PolarHBondContact O-CD2 2.86Å; S350-H354 VanDerWaalsContact O-CD2 3.23Å; S350-H354 PolarHBondContact O-N 3.42Å; L351-H354 PolarHBondContact O-N 3.2Å; H354-A358 VanDerWaalsContact O-CB 3.28Å; H354-A358 WeakPolarHBondContact O-CB 3.35Å; H354-A358 PolarHBondContact O-N 3.46Å
355	T	98.1	Very high	96.5	Very high	50 Å²	50	48.3 Å²	48.3	31%	0.307	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-48.8	166.6	-61.7	0	0	0	0	110.7	L351 A352 V357 A358 E359	L351-T355 WeakPolarHBondContact O-CB 3.44Å; L351-T355 PolarHBondContact O-N 3.36Å; L351-T355 PolarHBondContact O-OG1 2.96Å; A352-T355 PolarHBondContact O-N 3.22Å; T355-V357 VanDerWaalsContact C-N 3.35Å; T355-V357 PolarHBondContact O-N 3.49Å; T355-A358 PolarHBondContact O-N 2.92Å; T355-E359 WeakPolarHBondContact O-CG 3.29Å; T355-E359 PolarHBondContact O-N 3.33Å
356	S	97.8	Very high	96.8	Very high	18 Å²	18	46.9 Å²	46.9	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-39.8	177.6	-61.5	0	0	0	0	112.8	K267 A352 N353 E359 L360	K267-S356 WeakPolarHBondContact O-CB 3.4Å; K267-S356 PolarHBondContact O-OG 3.08Å; A352-S356 PolarHBondContact O-N 3.09Å; A352-S356 VanDerWaalsContact O-N 3.07Å; A352-S356 PolarHBondContact O-OG 3.03Å; N353-S356 PolarHBondContact O-N 3.5Å; S356-E359 PolarHBondContact O-N 3.39Å; S356-L360 WeakPolarHBondContact O-CG 3.36Å; S356-L360 PolarHBondContact O-N 3.36Å
357	V	98.4	Very high	97.1	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-43.7	174.8	175.5	0	0	0	0	111.4	Y246 I250 L263 F268 L287 N353 T355 E359 L360 I361	Y246-V357 HydrophobicContact CE2-CG1 4.15Å; Y246-V357 VanDerWaalsContact OH-CB 3.23Å; Y246-V357 WeakPolarHBondContact OH-CB 3.42Å; Y246-V357 WeakPolarHBondContact OH-CG1 3.38Å; I250-V357 HydrophobicContact CD1-CG1 3.91Å; I250-V357 HydrophobicContact CG1-CG1 3.86Å; L263-V357 HydrophobicContact CD1-CG2 3.6Å; F268-V357 HydrophobicContact CE1-CG2 4.18Å; F268-V357 HydrophobicContact CZ-CG2 3.8Å; L287-V357 HydrophobicContact CD1-CG2 4.24Å; N353-V357 WeakPolarHBondContact O-CG2 3.35Å; N353-V357 PolarHBondContact O-N 3.28Å; T355-V357 VanDerWaalsContact C-N 3.35Å; T355-V357 PolarHBondContact O-N 3.49Å; V357-E359 VanDerWaalsContact C-N 3.3Å; V357-E359 PolarHBondContact O-N 2.8Å; V357-L360 WeakPolarHBondContact O-CB 3.32Å; V357-L360 PolarHBondContact O-N 2.96Å; V357-I361 HydrophobicContact CG1-CD1 3.89Å; V357-I361 HydrophobicContact CG1-CG1 4.4Å; V357-I361 WeakPolarHBondContact O-CG1 3.48Å; V357-I361 PolarHBondContact O-N 3.27Å
358	A	98.4	Very high	97.2	Very high	14 Å²	14	52 Å²	52	12%	0.116	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-37.8	177	0	0	0	0	0	111.9	Y246 F304 L311 H354 T355 K362	Y246-A358 HydrophobicContact CE2-CB 4.4Å; F304-A358 HydrophobicContact CE2-CB 4.35Å; F304-A358 WeakPolarHBondContact CZ-O 3.43Å; L311-A358 HydrophobicContact CD1-CB 3.86Å; H354-A358 VanDerWaalsContact O-CB 3.28Å; H354-A358 WeakPolarHBondContact O-CB 3.35Å; H354-A358 PolarHBondContact O-N 3.46Å; T355-A358 PolarHBondContact O-N 2.92Å; A358-K362 VanDerWaalsContact O-CB 3.22Å; A358-K362 WeakPolarHBondContact O-CB 3.44Å; A358-K362 PolarHBondContact O-N 2.96Å
359	E	97.9	Very high	97.4	Very high	90 Å²	90	47.2 Å²	47.2	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-43.7	172.8	-71.5	176	-176.3	0	0	112.1	K267 T355 S356 V357 K362 D363	K267-E359 HydrophobicContact CD-CB 4.17Å; K267-E359 IonicContact NZ-OE2 2.7Å; T355-E359 WeakPolarHBondContact O-CG 3.29Å; T355-E359 PolarHBondContact O-N 3.33Å; S356-E359 PolarHBondContact O-N 3.39Å; V357-E359 VanDerWaalsContact C-N 3.3Å; V357-E359 PolarHBondContact O-N 2.8Å; E359-K362 PolarHBondContact O-N 3.16Å; E359-D363 PolarHBondContact O-N 3.11Å
360	L	97.9	Very high	97.5	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-44.5	176.6	-80.8	173	0	0	0	112.5	Y254 P264 K267 F268 S356 V357	Y254-L360 HydrophobicContact CE2-CB 4.41Å; Y254-L360 WeakPolarHBondContact OH-CB 3.48Å; P264-L360 HydrophobicContact CG-CD2 4.48Å; K267-L360 HydrophobicContact CD-CD2 4.02Å; K267-L360 HydrophobicContact CD-CG 3.97Å; K267-L360 HydrophobicContact CG-CD2 4.14Å; K267-L360 HydrophobicContact CG-CG 4.29Å; F268-L360 HydrophobicContact CE2-CD1 3.89Å; F268-L360 HydrophobicContact CZ-CD1 4.2Å; S356-L360 WeakPolarHBondContact O-CG 3.36Å; S356-L360 PolarHBondContact O-N 3.36Å; V357-L360 WeakPolarHBondContact O-CB 3.32Å; V357-L360 PolarHBondContact O-N 2.96Å
361	I	98.4	Very high	97.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-44.3	175.5	-64.4	166.7	0	0	0	110	Y246 L249 I250 I253 F304 V357 D363 I364 T365	Y246-I361 HydrophobicContact CD2-CD1 4.07Å; Y246-I361 HydrophobicContact CE2-CD1 3.89Å; L249-I361 HydrophobicContact CB-CD1 4.28Å; L249-I361 HydrophobicContact CB-CG2 3.88Å; L249-I361 HydrophobicContact CD1-CG2 3.63Å; L249-I361 HydrophobicContact CG-CG2 4.29Å; I250-I361 HydrophobicContact CG1-CD1 3.79Å; I253-I361 HydrophobicContact CD1-CB 4.4Å; I253-I361 HydrophobicContact CD1-CG1 4.23Å; I253-I361 HydrophobicContact CD1-CG2 4.12Å; F304-I361 HydrophobicContact CD1-CG2 4.13Å; F304-I361 HydrophobicContact CD2-CD1 4.43Å; F304-I361 HydrophobicContact CD2-CG2 3.93Å; F304-I361 HydrophobicContact CE1-CB 4.38Å; F304-I361 HydrophobicContact CE1-CG2 3.71Å; F304-I361 HydrophobicContact CE2-CB 3.73Å; F304-I361 HydrophobicContact CE2-CD1 3.96Å; F304-I361 HydrophobicContact CE2-CG1 4.47Å; F304-I361 HydrophobicContact CE2-CG2 3.51Å; F304-I361 HydrophobicContact CG-CG2 4.23Å; F304-I361 HydrophobicContact CZ-CB 3.63Å; F304-I361 HydrophobicContact CZ-CG2 3.39Å; V357-I361 HydrophobicContact CG1-CD1 3.89Å; V357-I361 HydrophobicContact CG1-CG1 4.4Å; V357-I361 WeakPolarHBondContact O-CG1 3.48Å; V357-I361 PolarHBondContact O-N 3.27Å; I361-D363 VanDerWaalsContact C-N 3.3Å; I361-D363 PolarHBondContact O-N 3.34Å; I361-I364 PolarHBondContact O-N 2.55Å; I361-T365 HydrophobicContact CG2-CG2 3.79Å; I361-T365 WeakPolarHBondContact O-CG2 3.35Å; I361-T365 PolarHBondContact O-N 2.77Å; I361-T365 PolarHBondContact O-OG1 2.96Å
362	K	97.9	Very high	97.6	Very high	124 Å²	124	52.5 Å²	52.5	54%	0.539	29%	0.288	S	S	.	.	H	α-helix	trans	-59.1	-41.3	-177.8	-172.9	172.8	-177.9	178.1	0	112.3	F304 A358 E359 I364 T365 T366	F304-K362 HydrophobicContact CE1-CB 4.36Å; F304-K362 HydrophobicContact CZ-CB 4.23Å; A358-K362 VanDerWaalsContact O-CB 3.22Å; A358-K362 WeakPolarHBondContact O-CB 3.44Å; A358-K362 PolarHBondContact O-N 2.96Å; E359-K362 PolarHBondContact O-N 3.16Å; K362-I364 PolarHBondContact O-N 2.74Å; K362-I364 VanDerWaalsContact O-N 3.16Å; K362-T365 WeakPolarHBondContact CA-OG1 3.22Å; K362-T365 PolarHBondContact O-N 2.7Å; K362-T365 PolarHBondContact O-OG1 3.44Å; K362-T366 HydrophobicContact CG-CG2 3.97Å; K362-T366 WeakPolarHBondContact O-CG2 3.37Å; K362-T366 PolarHBondContact O-N 3.04Å; K362-T366 PolarHBondContact O-OG1 3.47Å
363	D	97.5	Very high	97.7	Very high	94 Å²	94	50.7 Å²	50.7	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-54.9	-33	177.5	-67.1	-20.4	0	0	0	111.8	K267 E359 I361	K267-D363 WeakPolarHBondContact CE-OD2 3.5Å; K267-D363 IonicContact NZ-OD1 2.82Å; K267-D363 IonicContact NZ-OD2 3.27Å; K267-D363 PolarHBondContact NZ-OD2 3.07Å; E359-D363 PolarHBondContact O-N 3.11Å; I361-D363 VanDerWaalsContact C-N 3.3Å; I361-D363 PolarHBondContact O-N 3.34Å
364	I	97.7	Very high	97.7	Very high	60 Å²	60	50.6 Å²	50.6	31%	0.308	27%	0.27	S	S	.	.	H	α-helix	trans	-85.3	-48.3	178	-66.6	163.3	0	0	0	111.2	I253 I361 K362 T366 S367 F370	I253-I364 HydrophobicContact CB-CD1 4.33Å; I253-I364 HydrophobicContact CD1-CB 4.31Å; I253-I364 HydrophobicContact CD1-CD1 3.84Å; I253-I364 HydrophobicContact CD1-CG2 4.3Å; I253-I364 HydrophobicContact CG1-CD1 4.08Å; I253-I364 HydrophobicContact CG2-CD1 3.29Å; I361-I364 PolarHBondContact O-N 2.55Å; K362-I364 PolarHBondContact O-N 2.74Å; K362-I364 VanDerWaalsContact O-N 3.16Å; I364-T366 PolarHBondContact O-N 3.01Å; I364-S367 WeakPolarHBondContact O-CB 3.41Å; I364-S367 PolarHBondContact O-N 3.22Å; I364-S367 PolarHBondContact O-OG 3.12Å; I364-F370 HydrophobicContact CG2-CD2 4.28Å; I364-F370 WeakPolarHBondContact O-CB 3.48Å
365	T	97.5	Very high	97.7	Very high	16 Å²	16	53.9 Å²	53.9	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-14.7	-173.5	59.6	0	0	0	0	113.7	L249 F304 I361 K362 F370	L249-T365 HydrophobicContact CD1-CG2 4.03Å; L249-T365 HydrophobicContact CD2-CG2 4.23Å; F304-T365 HydrophobicContact CD1-CG2 4.47Å; F304-T365 HydrophobicContact CE1-CG2 4.47Å; I361-T365 HydrophobicContact CG2-CG2 3.79Å; I361-T365 WeakPolarHBondContact O-CG2 3.35Å; I361-T365 PolarHBondContact O-N 2.77Å; I361-T365 PolarHBondContact O-OG1 2.96Å; K362-T365 WeakPolarHBondContact CA-OG1 3.22Å; K362-T365 PolarHBondContact O-N 2.7Å; K362-T365 PolarHBondContact O-OG1 3.44Å; T365-F370 HydrophobicContact CG2-CE1 4.07Å; T365-F370 HydrophobicContact CG2-CE2 4.14Å; T365-F370 HydrophobicContact CG2-CZ 3.87Å; T365-F370 WeakPolarHBondContact O-CD1 3.26Å
366	T	97.1	Very high	97.7	Very high	81 Å²	81	51.9 Å²	51.9	50%	0.497	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.9	173.4	59	0	0	0	0	113.8	K362 I364	K362-T366 HydrophobicContact CG-CG2 3.97Å; K362-T366 WeakPolarHBondContact O-CG2 3.37Å; K362-T366 PolarHBondContact O-N 3.04Å; K362-T366 PolarHBondContact O-OG1 3.47Å; I364-T366 PolarHBondContact O-N 3.01Å
367	S	97.9	Very high	97.8	Very high	44 Å²	44	51.2 Å²	51.2	31%	0.308	27%	0.273	S	S	.	.	S	Bend	trans	-77.9	146.7	177.5	69.5	0	0	0	0	111.9	I364 A369 F370 F371	I364-S367 WeakPolarHBondContact O-CB 3.41Å; I364-S367 PolarHBondContact O-N 3.22Å; I364-S367 PolarHBondContact O-OG 3.12Å; S367-A369 VanDerWaalsContact C-N 3.31Å; S367-A369 PolarHBondContact O-N 3.28Å; S367-F370 WeakPolarHBondContact O-CB 3.13Å; S367-F370 PolarHBondContact O-N 2.9Å; S367-F370 VanDerWaalsContact O-N 3.13Å; S367-F370 WeakPolarHBondContact OG-CB 3.36Å; S367-F370 PolarHBondContact OG-N 3.48Å; S367-F371 WeakPolarHBondContact O-CD2 3.42Å; S367-F371 PolarHBondContact O-N 2.86Å; S367-F371 VanDerWaalsContact O-N 3.16Å
368	E	97	Very high	97.7	Very high	151 Å²	151	53.8 Å²	53.8	71%	0.706	29%	0.285	S	S	*	.	H	α-helix	trans	-56.3	-45.2	176	-173.1	173.5	-164.1	0	0	111.4	F370 F371 D372	E368-F370 VanDerWaalsContact C-N 3.25Å; E368-F370 PolarHBondContact O-N 3.49Å; E368-F371 PolarHBondContact O-N 3Å; E368-D372 PolarHBondContact O-N 3.48Å
369	A	95.8	Very high	97.7	Very high	57 Å²	57	56.2 Å²	56.2	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-58.1	-34.1	177	0	0	0	0	0	113.8	S367 N373 Y392	S367-A369 VanDerWaalsContact C-N 3.31Å; S367-A369 PolarHBondContact O-N 3.28Å; A369-N373 VanDerWaalsContact O-CB 3.3Å; A369-N373 WeakPolarHBondContact O-CB 3.48Å; A369-N373 PolarHBondContact O-N 3.49Å; A369-Y392 PolarHBondContact O-OH 2.95Å
370	F	97.7	Very high	97.7	Very high	29 Å²	29	52 Å²	52	13%	0.127	27%	0.274	C	S	.	.	H	α-helix	trans	-71.3	-43.8	174.6	-176.6	-89.4	0	0	0	111.3	T242 L244 L249 I364 T365 S367 E368 N373 L374	T242-F370 HydrophobicContact CG2-CE2 3.93Å; T242-F370 HydrophobicContact CG2-CZ 4.13Å; L244-F370 HydrophobicContact CD2-CZ 4.04Å; L249-F370 HydrophobicContact CD2-CE2 4.42Å; L249-F370 HydrophobicContact CD2-CZ 4.34Å; I364-F370 HydrophobicContact CG2-CD2 4.28Å; I364-F370 WeakPolarHBondContact O-CB 3.48Å; T365-F370 HydrophobicContact CG2-CE1 4.07Å; T365-F370 HydrophobicContact CG2-CE2 4.14Å; T365-F370 HydrophobicContact CG2-CZ 3.87Å; T365-F370 WeakPolarHBondContact O-CD1 3.26Å; S367-F370 WeakPolarHBondContact O-CB 3.13Å; S367-F370 PolarHBondContact O-N 2.9Å; S367-F370 VanDerWaalsContact O-N 3.13Å; S367-F370 WeakPolarHBondContact OG-CB 3.36Å; S367-F370 PolarHBondContact OG-N 3.48Å; E368-F370 VanDerWaalsContact C-N 3.25Å; E368-F370 PolarHBondContact O-N 3.49Å; F370-N373 PolarHBondContact O-N 3.11Å; F370-L374 HydrophobicContact CE1-CD2 4.13Å; F370-L374 WeakPolarHBondContact O-CB 3.11Å; F370-L374 PolarHBondContact O-N 3.5Å
371	F	97.5	Very high	97.7	Very high	109 Å²	109	51.4 Å²	51.4	48%	0.478	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-44	177.5	-75.1	-66.5	0	0	0	112.4	S367 E368 L374 T375	S367-F371 WeakPolarHBondContact O-CD2 3.42Å; S367-F371 PolarHBondContact O-N 2.86Å; S367-F371 VanDerWaalsContact O-N 3.16Å; E368-F371 PolarHBondContact O-N 3Å; F371-L374 PolarHBondContact O-N 2.72Å; F371-T375 WeakPolarHBondContact O-CB 3.44Å; F371-T375 PolarHBondContact O-N 3.37Å; F371-T375 PolarHBondContact O-OG1 3.28Å
372	D	97.9	Very high	97.6	Very high	66 Å²	66	53 Å²	53	35%	0.353	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-44.1	178.4	-66.7	-23.6	0	0	0	111.1	E368 L374 T375 V376 Y392	E368-D372 PolarHBondContact O-N 3.48Å; D372-L374 PolarHBondContact O-N 2.96Å; D372-T375 PolarHBondContact O-N 3.32Å; D372-V376 PolarHBondContact O-N 3.46Å; D372-V376 VanDerWaalsContact O-N 3.12Å; D372-Y392 HydrophobicContact CB-CD2 3.91Å; D372-Y392 HydrophobicContact CB-CE2 3.48Å; D372-Y392 VanDerWaalsContact CB-CE2 3.48Å
373	N	97.9	Very high	97.4	Very high	16 Å²	16	48.7 Å²	48.7	9%	0.086	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-49.4	174.7	-171	86.5	0	0	0	111.5	A369 F370 T375 V376 E377 Y392 K405	A369-N373 VanDerWaalsContact O-CB 3.3Å; A369-N373 WeakPolarHBondContact O-CB 3.48Å; A369-N373 PolarHBondContact O-N 3.49Å; F370-N373 PolarHBondContact O-N 3.11Å; N373-T375 VanDerWaalsContact C-N 3.32Å; N373-T375 PolarHBondContact O-N 2.82Å; N373-V376 PolarHBondContact O-N 2.87Å; N373-E377 PolarHBondContact ND2-OE1 2.96Å; N373-E377 WeakPolarHBondContact O-CG 3.36Å; N373-E377 PolarHBondContact O-N 3.46Å; N373-Y392 HydrophobicContact CB-CE1 4.22Å; N373-Y392 WeakPolarHBondContact CB-OH 3.37Å; N373-Y392 PolarHBondContact N-OH 2.99Å; N373-K405 VanDerWaalsContact OD1-CE 3.31Å; N373-K405 WeakPolarHBondContact OD1-CE 3.46Å
374	L	97.8	Very high	97.3	Very high	24 Å²	24	47.3 Å²	47.3	13%	0.126	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-37.1	-178.6	-173.7	62.1	0	0	0	111.7	L244 F370 F371 D372 E377 Q378	L244-L374 HydrophobicContact CD1-CD1 4.2Å; L244-L374 HydrophobicContact CD1-CD2 4.35Å; L244-L374 HydrophobicContact CD2-CD1 4.4Å; L244-L374 HydrophobicContact CD2-CD2 4.48Å; F370-L374 HydrophobicContact CE1-CD2 4.13Å; F370-L374 WeakPolarHBondContact O-CB 3.11Å; F370-L374 PolarHBondContact O-N 3.5Å; F371-L374 PolarHBondContact O-N 2.72Å; D372-L374 PolarHBondContact O-N 2.96Å; L374-E377 PolarHBondContact O-N 3.18Å; L374-Q378 HydrophobicContact CD1-CG 4.49Å; L374-Q378 HydrophobicContact CG-CG 4.48Å; L374-Q378 VanDerWaalsContact O-CG 3.27Å; L374-Q378 WeakPolarHBondContact O-CG 3.4Å; L374-Q378 PolarHBondContact O-N 2.73Å
375	T	98.1	Very high	97	Very high	69 Å²	69	48.4 Å²	48.4	42%	0.423	27%	0.272	S	S	.	.	H	α-helix	trans	-59.7	-49.5	176.7	-59.7	0	0	0	0	110.8	F371 D372 N373 E377 Q378 E379	F371-T375 WeakPolarHBondContact O-CB 3.44Å; F371-T375 PolarHBondContact O-N 3.37Å; F371-T375 PolarHBondContact O-OG1 3.28Å; D372-T375 PolarHBondContact O-N 3.32Å; N373-T375 VanDerWaalsContact C-N 3.32Å; N373-T375 PolarHBondContact O-N 2.82Å; T375-E377 VanDerWaalsContact C-N 3.34Å; T375-E377 PolarHBondContact O-N 3.14Å; T375-Q378 PolarHBondContact O-N 3.49Å; T375-E379 WeakPolarHBondContact O-CG 3.41Å; T375-E379 PolarHBondContact O-N 2.81Å
376	V	98.4	Very high	96.9	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.055	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-40.5	177.9	172.3	0	0	0	0	111.8	D372 N373 Q378 E379 F380 Y392 L409	D372-V376 PolarHBondContact O-N 3.46Å; D372-V376 VanDerWaalsContact O-N 3.12Å; N373-V376 PolarHBondContact O-N 2.87Å; V376-Q378 PolarHBondContact O-N 3.12Å; V376-E379 PolarHBondContact O-N 3.01Å; V376-F380 HydrophobicContact CG1-CD2 4.05Å; V376-F380 HydrophobicContact CG1-CE1 4.19Å; V376-F380 HydrophobicContact CG1-CE2 3.41Å; V376-F380 VanDerWaalsContact CG1-CE2 3.41Å; V376-F380 HydrophobicContact CG1-CZ 3.49Å; V376-F380 VanDerWaalsContact CG1-CZ 3.49Å; V376-F380 WeakPolarHBondContact O-CD2 3.3Å; V376-F380 WeakPolarHBondContact O-CG 3.46Å; V376-F380 PolarHBondContact O-N 3.01Å; V376-F380 VanDerWaalsContact O-N 3.07Å; V376-Y392 HydrophobicContact CB-CD1 4.25Å; V376-Y392 HydrophobicContact CG2-CD1 3.7Å; V376-Y392 HydrophobicContact CG2-CG 4.03Å; V376-L409 HydrophobicContact CG1-CD2 4.32Å
377	E	98.3	Very high	96.7	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-58	-48.9	173.4	-74.3	-175.5	-158.6	0	0	111	T242 N373 L374 T375 E379 F380 M381 L409 M412	T242-E377 WeakPolarHBondContact CB-OE2 3.29Å; T242-E377 PolarHBondContact N-OE2 3.43Å; T242-E377 PolarHBondContact OG1-OE1 2.88Å; T242-E377 PolarHBondContact OG1-OE2 2.89Å; N373-E377 PolarHBondContact ND2-OE1 2.96Å; N373-E377 WeakPolarHBondContact O-CG 3.36Å; N373-E377 PolarHBondContact O-N 3.46Å; L374-E377 PolarHBondContact O-N 3.18Å; T375-E377 VanDerWaalsContact C-N 3.34Å; T375-E377 PolarHBondContact O-N 3.14Å; E377-E379 PolarHBondContact O-N 3Å; E377-F380 PolarHBondContact O-N 3.19Å; E377-M381 HydrophobicContact CB-CE 3.94Å; E377-M381 WeakPolarHBondContact O-CG 3.46Å; E377-M381 PolarHBondContact O-N 3.39Å; E377-L409 HydrophobicContact CG-CD2 3.89Å; E377-M412 HydrophobicContact CB-CE 3.73Å; E377-M412 HydrophobicContact CB-SD 4.16Å; E377-M412 HydrophobicContact CG-CE 4.16Å; E377-M412 HydrophobicContact CG-SD 3.9Å; E377-M412 WeakPolarHBondContact O-CE 3.36Å
378	Q	97.4	Very high	96.7	Very high	57 Å²	57	50 Å²	50	27%	0.266	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-39	-179.9	-68.3	-178.8	0.1	0	0	112.9	L374 T375 V376 F380 M381 T382 W473	L374-Q378 HydrophobicContact CD1-CG 4.49Å; L374-Q378 HydrophobicContact CG-CG 4.48Å; L374-Q378 VanDerWaalsContact O-CG 3.27Å; L374-Q378 WeakPolarHBondContact O-CG 3.4Å; L374-Q378 PolarHBondContact O-N 2.73Å; T375-Q378 PolarHBondContact O-N 3.49Å; V376-Q378 PolarHBondContact O-N 3.12Å; Q378-F380 VanDerWaalsContact C-N 3.35Å; Q378-F380 PolarHBondContact O-N 3.37Å; Q378-M381 PolarHBondContact O-N 2.87Å; Q378-T382 WeakPolarHBondContact O-CB 3.43Å; Q378-T382 WeakPolarHBondContact O-CG2 3.48Å; Q378-T382 PolarHBondContact O-N 3.33Å; Q378-T382 PolarHBondContact O-OG1 3.17Å; Q378-W473 HydrophobicContact CB-CH2 3.71Å; Q378-W473 HydrophobicContact CB-CZ3 4.31Å; Q378-W473 HydrophobicContact CG-CH2 3.67Å; Q378-W473 HydrophobicContact CG-CZ3 4.23Å
379	E	97.8	Very high	96.7	Very high	66 Å²	66	45.1 Å²	45.1	31%	0.308	25%	0.249	S	C	.	.	H	α-helix	trans	-56.6	-48.1	172.6	-74.9	174.9	169	0	0	111	T375 V376 E377 M381 T382 G383 V384	T375-E379 WeakPolarHBondContact O-CG 3.41Å; T375-E379 PolarHBondContact O-N 2.81Å; V376-E379 PolarHBondContact O-N 3.01Å; E377-E379 PolarHBondContact O-N 3Å; E379-M381 PolarHBondContact O-N 3.23Å; E379-T382 WeakPolarHBondContact CA-OG1 3.32Å; E379-T382 CarbonylContact O-C 3.5Å; E379-T382 PolarHBondContact O-N 3.42Å; E379-T382 PolarHBondContact O-OG1 2.82Å; E379-G383 PolarHBondContact O-N 3.13Å; E379-V384 HydrophobicContact CB-CB 4.16Å; E379-V384 PolarHBondContact O-N 3.26Å
380	F	98.3	Very high	96.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-41.1	177.8	-62.9	-21.9	0	0	0	112.4	V376 E377 Q378 T382 G383 T386 N390 I393 M412 Q413 C416	V376-F380 HydrophobicContact CG1-CD2 4.05Å; V376-F380 HydrophobicContact CG1-CE1 4.19Å; V376-F380 HydrophobicContact CG1-CE2 3.41Å; V376-F380 VanDerWaalsContact CG1-CE2 3.41Å; V376-F380 HydrophobicContact CG1-CZ 3.49Å; V376-F380 VanDerWaalsContact CG1-CZ 3.49Å; V376-F380 WeakPolarHBondContact O-CD2 3.3Å; V376-F380 WeakPolarHBondContact O-CG 3.46Å; V376-F380 PolarHBondContact O-N 3.01Å; V376-F380 VanDerWaalsContact O-N 3.07Å; E377-F380 PolarHBondContact O-N 3.19Å; Q378-F380 VanDerWaalsContact C-N 3.35Å; Q378-F380 PolarHBondContact O-N 3.37Å; F380-T382 VanDerWaalsContact C-N 3.27Å; F380-T382 PolarHBondContact O-N 2.56Å; F380-G383 PolarHBondContact O-N 3.22Å; F380-T386 HydrophobicContact CB-CG2 4.37Å; F380-T386 HydrophobicContact CD1-CG2 4.09Å; F380-N390 HydrophobicContact CZ-CB 4.07Å; F380-I393 HydrophobicContact CE2-CD1 4.1Å; F380-I393 HydrophobicContact CZ-CD1 4.06Å; F380-M412 HydrophobicContact CB-CE 4.1Å; F380-M412 HydrophobicContact CB-CG 4.34Å; F380-M412 HydrophobicContact CD2-CG 4.26Å; F380-Q413 HydrophobicContact CD1-CB 4.48Å; F380-Q413 HydrophobicContact CD1-CG 4.09Å; F380-Q413 HydrophobicContact CD2-CB 3.93Å; F380-Q413 HydrophobicContact CD2-CG 4.41Å; F380-Q413 HydrophobicContact CE1-CB 4.24Å; F380-Q413 HydrophobicContact CE1-CG 3.72Å; F380-Q413 HydrophobicContact CE2-CB 3.66Å; F380-Q413 HydrophobicContact CE2-CG 4.06Å; F380-Q413 HydrophobicContact CG-CB 4.34Å; F380-Q413 HydrophobicContact CG-CG 4.42Å; F380-Q413 HydrophobicContact CZ-CB 3.83Å; F380-Q413 HydrophobicContact CZ-CG 3.7Å; F380-C416 WeakPolarHBondContact O-CB 3.39Å; F380-C416 PolarHBondContact O-SG 2.87Å
381	M	97.6	Very high	96.8	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-35.4	177	-65.3	-173.2	-131.9	0	0	111.9	A241 E377 Q378 E379 G383 M412 Y463 R467 W473 Y492	A241-M381 HydrophobicContact CB-CE 3.54Å; A241-M381 HydrophobicContact CB-SD 4.5Å; E377-M381 HydrophobicContact CB-CE 3.94Å; E377-M381 WeakPolarHBondContact O-CG 3.46Å; E377-M381 PolarHBondContact O-N 3.39Å; Q378-M381 PolarHBondContact O-N 2.87Å; E379-M381 PolarHBondContact O-N 3.23Å; M381-G383 VanDerWaalsContact C-N 3.27Å; M381-G383 PolarHBondContact O-N 3.35Å; M381-M412 HydrophobicContact CE-CE 3.45Å; M381-M412 VanDerWaalsContact CE-CE 3.45Å; M381-M412 HydrophobicContact CG-CE 3.3Å; M381-M412 HydrophobicContact SD-CE 4.11Å; M381-Y463 WeakPolarHBondContact O-CE1 3.34Å; M381-Y463 PolarHBondContact O-OH 3.15Å; M381-R467 WeakPolarHBondContact O-CD 3.41Å; M381-W473 HydrophobicContact CB-CE3 3.97Å; M381-W473 HydrophobicContact CB-CZ3 4Å; M381-W473 HydrophobicContact SD-CZ3 4.32Å; M381-Y492 HydrophobicContact CG-CD2 4.45Å; M381-Y492 WeakPolarHBondContact SD-CB 3.46Å; M381-Y492 HydrophobicContact SD-CD1 3.99Å; M381-Y492 HydrophobicContact SD-CD2 3.92Å; M381-Y492 HydrophobicContact SD-CG 3.47Å
382	T	96.8	Very high	96.9	Very high	34 Å²	34	42.9 Å²	42.9	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-82.2	-1.9	175	56.8	0	0	0	0	113.6	Q378 E379 F380 R467 W473	Q378-T382 WeakPolarHBondContact O-CB 3.43Å; Q378-T382 WeakPolarHBondContact O-CG2 3.48Å; Q378-T382 PolarHBondContact O-N 3.33Å; Q378-T382 PolarHBondContact O-OG1 3.17Å; E379-T382 WeakPolarHBondContact CA-OG1 3.32Å; E379-T382 CarbonylContact O-C 3.5Å; E379-T382 PolarHBondContact O-N 3.42Å; E379-T382 PolarHBondContact O-OG1 2.82Å; F380-T382 VanDerWaalsContact C-N 3.27Å; F380-T382 PolarHBondContact O-N 2.56Å; T382-R467 PolarHBondContact O-NH1 3.16Å; T382-R467 PolarHBondContact O-NH2 3.19Å; T382-W473 HydrophobicContact CG2-CD2 3.33Å; T382-W473 HydrophobicContact CG2-CE3 3.86Å; T382-W473 HydrophobicContact CG2-CG 3.71Å; T382-W473 HydrophobicContact CG2-CH2 4.1Å; T382-W473 HydrophobicContact CG2-CZ2 3.6Å; T382-W473 HydrophobicContact CG2-CZ3 4.22Å
383	G	94.1	Very high	96.9	Very high	33 Å²	33	39.8 Å²	39.8	34%	0.34	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	27.7	176.3	0	0	0	0	0	113.6	E379 F380 M381	E379-G383 PolarHBondContact O-N 3.13Å; F380-G383 PolarHBondContact O-N 3.22Å; M381-G383 VanDerWaalsContact C-N 3.27Å; M381-G383 PolarHBondContact O-N 3.35Å
384	V	95.1	Very high	96.9	Very high	65 Å²	65	42.7 Å²	42.7	39%	0.394	23%	0.233	S	C	.	.	S	Bend	trans	-89.5	134.4	173.8	-179.9	0	0	0	0	109	E379 T386	E379-V384 HydrophobicContact CB-CB 4.16Å; E379-V384 PolarHBondContact O-N 3.26Å; V384-T386 WeakPolarHBondContact O-CG2 3.4Å; V384-T386 PolarHBondContact O-N 3Å
385	D	91.9	Very high	97	Very high	82 Å²	82	45.6 Å²	45.6	44%	0.439	25%	0.249	S	C	.	.	S	Bend	trans	43.6	38.1	176.6	-75.1	-49.4	0	0	0	116.1	D387 K388 Q413	D385-D387 VanDerWaalsContact C-N 3.26Å; D385-D387 PolarHBondContact O-N 3.28Å; D385-K388 IonicContact OD1-NZ 2.71Å; D385-K388 PolarHBondContact OD1-NZ 3.34Å; D385-Q413 PolarHBondContact O-NE2 3.15Å
386	T	94.5	Very high	97	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.3	-179.6	61.8	0	0	0	0	114.3	F380 V384 Q413 C416 N417	F380-T386 HydrophobicContact CB-CG2 4.37Å; F380-T386 HydrophobicContact CD1-CG2 4.09Å; V384-T386 WeakPolarHBondContact O-CG2 3.4Å; V384-T386 PolarHBondContact O-N 3Å; T386-Q413 WeakPolarHBondContact O-CG 3.49Å; T386-C416 HydrophobicContact CG2-CB 4.03Å; T386-N417 WeakPolarHBondContact O-CB 3.2Å; T386-N417 PolarHBondContact OG1-OD1 3.14Å; T386-N417 VanDerWaalsContact OG1-OD1 3.04Å
387	D	93.8	Very high	97	Very high	50 Å²	50	42.3 Å²	42.3	27%	0.267	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	3.6	-169.9	83	-46.4	0	0	0	115.4	D385 K421	D385-D387 VanDerWaalsContact C-N 3.26Å; D385-D387 PolarHBondContact O-N 3.28Å; D387-K421 IonicContact OD2-NZ 2.88Å; D387-K421 PolarHBondContact OD2-NZ 2.91Å
388	K	96.4	Very high	97	Very high	114 Å²	114	46 Å²	46	50%	0.496	26%	0.26	S	S	.	.	S	Bend	trans	-122.5	168.2	179.9	-61.5	172.8	-158.7	145.5	0	111	D385 N390 Q413	D385-K388 IonicContact OD1-NZ 2.71Å; D385-K388 PolarHBondContact OD1-NZ 3.34Å; K388-N390 PolarHBondContact O-N 3.11Å; K388-Q413 PolarHBondContact O-NE2 3.31Å
389	V	98	Very high	97.1	Very high	48 Å²	48	50 Å²	50	29%	0.291	28%	0.279	S	S	.	.			trans	-65.8	123.7	167.4	179.5	0	0	0	0	108.4	V424 Y427 Y428	V389-V424 HydrophobicContact CG2-CG1 4.05Å; V389-V424 HydrophobicContact CG2-CG2 4.44Å; V389-Y427 HydrophobicContact CB-CD1 4.45Å; V389-Y427 HydrophobicContact CG1-CD1 3.87Å; V389-Y427 HydrophobicContact CG1-CE1 3.54Å; V389-Y427 HydrophobicContact CG2-CD1 3.64Å; V389-Y427 HydrophobicContact CG2-CE1 4.16Å; V389-Y427 HydrophobicContact CG2-CG 3.93Å; V389-Y428 WeakPolarHBondContact CA-OH 3.24Å; V389-Y428 HydrophobicContact CG1-CE1 4.06Å
390	N	98.4	Very high	97.1	Very high	19 Å²	19	53.8 Å²	53.8	10%	0.102	29%	0.294	C	S	.	.			trans	-83.1	128.5	172	178.1	-77.1	0	0	0	110.2	F380 K388 Y392 I393 E394 Y428	F380-N390 HydrophobicContact CZ-CB 4.07Å; K388-N390 PolarHBondContact O-N 3.11Å; N390-Y392 WeakPolarHBondContact OD1-CB 3.46Å; N390-Y392 PolarHBondContact OD1-N 2.99Å; N390-I393 HydrophobicContact CB-CB 4.45Å; N390-I393 HydrophobicContact CB-CD1 4.01Å; N390-I393 HydrophobicContact CB-CG1 4.16Å; N390-I393 PolarHBondContact O-N 3.16Å; N390-I393 PolarHBondContact OD1-N 2.89Å; N390-E394 PolarHBondContact O-N 3.27Å; N390-Y428 PolarHBondContact N-OH 2.77Å
391	T	98.1	Very high	97.1	Very high	96 Å²	96	55.6 Å²	55.6	59%	0.589	30%	0.304	S	S	*	.	H	α-helix	trans	-69.6	-35.9	-174.5	50.8	0	0	0	0	112.9	I393 E394 D395	T391-I393 VanDerWaalsContact C-N 3.33Å; T391-I393 PolarHBondContact O-N 2.82Å; T391-E394 WeakPolarHBondContact O-CB 3.37Å; T391-E394 PolarHBondContact O-N 2.82Å; T391-E394 VanDerWaalsContact O-N 3.16Å; T391-D395 PolarHBondContact O-N 2.92Å
392	Y	98.4	Very high	97.1	Very high	34 Å²	34	59.9 Å²	59.9	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-38.7	176.3	171.4	-104	0	0	0	111.9	A369 D372 N373 V376 N390 D395 C396 K405 L409	A369-Y392 PolarHBondContact O-OH 2.95Å; D372-Y392 HydrophobicContact CB-CD2 3.91Å; D372-Y392 HydrophobicContact CB-CE2 3.48Å; D372-Y392 VanDerWaalsContact CB-CE2 3.48Å; N373-Y392 HydrophobicContact CB-CE1 4.22Å; N373-Y392 WeakPolarHBondContact CB-OH 3.37Å; N373-Y392 PolarHBondContact N-OH 2.99Å; V376-Y392 HydrophobicContact CB-CD1 4.25Å; V376-Y392 HydrophobicContact CG2-CD1 3.7Å; V376-Y392 HydrophobicContact CG2-CG 4.03Å; N390-Y392 WeakPolarHBondContact OD1-CB 3.46Å; N390-Y392 PolarHBondContact OD1-N 2.99Å; Y392-D395 PolarHBondContact O-N 3.37Å; Y392-C396 VanDerWaalsContact CZ-SG 3.51Å; Y392-C396 WeakPolarHBondContact O-CB 3.36Å; Y392-C396 PolarHBondContact O-N 2.83Å; Y392-C396 PolarHBondContact O-SG 2.56Å; Y392-K405 VanDerWaalsContact OH-CE 3.3Å; Y392-K405 WeakPolarHBondContact OH-CE 3.43Å; Y392-K405 PolarHBondContact OH-NZ 2.97Å; Y392-L409 HydrophobicContact CD1-CD1 4.34Å; Y392-L409 HydrophobicContact CE1-CD1 3.95Å
393	I	98.6	Very high	97.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-41.9	173.3	-61.6	177.6	0	0	0	110.8	F380 N390 T391 C396 I397 I406 L409 V410 Y428	F380-I393 HydrophobicContact CE2-CD1 4.1Å; F380-I393 HydrophobicContact CZ-CD1 4.06Å; N390-I393 HydrophobicContact CB-CB 4.45Å; N390-I393 HydrophobicContact CB-CD1 4.01Å; N390-I393 HydrophobicContact CB-CG1 4.16Å; N390-I393 PolarHBondContact O-N 3.16Å; N390-I393 PolarHBondContact OD1-N 2.89Å; T391-I393 VanDerWaalsContact C-N 3.33Å; T391-I393 PolarHBondContact O-N 2.82Å; I393-C396 PolarHBondContact O-N 2.63Å; I393-I397 HydrophobicContact CG2-CD1 3.98Å; I393-I397 VanDerWaalsContact O-CG1 3.31Å; I393-I397 WeakPolarHBondContact O-CG1 3.48Å; I393-I397 PolarHBondContact O-N 2.8Å; I393-I406 HydrophobicContact CG2-CG2 4.3Å; I393-L409 HydrophobicContact CD1-CB 3.73Å; I393-L409 HydrophobicContact CG1-CB 3.99Å; I393-L409 HydrophobicContact CG1-CD1 4.08Å; I393-V410 HydrophobicContact CD1-CG1 4.11Å; I393-V410 HydrophobicContact CG2-CG1 3.79Å; I393-Y428 HydrophobicContact CB-CE1 4.2Å; I393-Y428 HydrophobicContact CG2-CD1 4.26Å; I393-Y428 HydrophobicContact CG2-CE1 3.66Å
394	E	98.4	Very high	97.3	Very high	77 Å²	77	58.9 Å²	58.9	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-46.3	175.4	177.6	173.4	-145.9	0	0	111.2	N390 T391 C396 I397 A398 Y427	N390-E394 PolarHBondContact O-N 3.27Å; T391-E394 WeakPolarHBondContact O-CB 3.37Å; T391-E394 PolarHBondContact O-N 2.82Å; T391-E394 VanDerWaalsContact O-N 3.16Å; E394-C396 PolarHBondContact O-N 3.07Å; E394-I397 PolarHBondContact O-N 3.2Å; E394-I397 VanDerWaalsContact O-N 3.17Å; E394-A398 WeakPolarHBondContact O-CB 3.33Å; E394-A398 PolarHBondContact O-N 3.06Å; E394-Y427 VanDerWaalsContact CG-OH 3.24Å; E394-Y427 WeakPolarHBondContact CG-OH 3.36Å; E394-Y427 PolarHBondContact OE1-OH 3.29Å
395	D	98.5	Very high	97.5	Very high	85 Å²	85	57.9 Å²	57.9	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-43.9	175.9	-69.8	-29	0	0	0	111.7	T391 Y392 I397 A398 Q399	T391-D395 PolarHBondContact O-N 2.92Å; Y392-D395 PolarHBondContact O-N 3.37Å; D395-I397 VanDerWaalsContact C-N 3.31Å; D395-I397 PolarHBondContact O-N 3.04Å; D395-A398 PolarHBondContact O-N 3.17Å; D395-Q399 WeakPolarHBondContact O-CB 3.48Å; D395-Q399 VanDerWaalsContact O-CG 3.28Å; D395-Q399 WeakPolarHBondContact O-CG 3.41Å; D395-Q399 PolarHBondContact O-N 3.41Å
396	C	98.6	Very high	97.8	Very high	4 Å²	4	54 Å²	54	3%	0.027	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-41.4	174.8	-69.9	0	0	0	0	111.6	Y392 I393 E394 K400 D401 K405 I406	Y392-C396 VanDerWaalsContact CZ-SG 3.51Å; Y392-C396 WeakPolarHBondContact O-CB 3.36Å; Y392-C396 PolarHBondContact O-N 2.83Å; Y392-C396 PolarHBondContact O-SG 2.56Å; I393-C396 PolarHBondContact O-N 2.63Å; E394-C396 PolarHBondContact O-N 3.07Å; C396-K400 PolarHBondContact O-N 3.35Å; C396-D401 HydrophobicContact CB-CB 4.07Å; C396-D401 WeakPolarHBondContact O-CB 3.38Å; C396-D401 PolarHBondContact O-N 3.04Å; C396-D401 PolarHBondContact SG-OD2 2.59Å; C396-K405 PolarHBondContact SG-NZ 3.24Å; C396-I406 HydrophobicContact CB-CG1 4.21Å
397	I	98.7	Very high	98	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-46.7	175.7	-68.1	162.5	0	0	0	110	I393 E394 D395 Q399 K400 I406 Y428 E431 I432 T435 Y436	I393-I397 HydrophobicContact CG2-CD1 3.98Å; I393-I397 VanDerWaalsContact O-CG1 3.31Å; I393-I397 WeakPolarHBondContact O-CG1 3.48Å; I393-I397 PolarHBondContact O-N 2.8Å; E394-I397 PolarHBondContact O-N 3.2Å; E394-I397 VanDerWaalsContact O-N 3.17Å; D395-I397 VanDerWaalsContact C-N 3.31Å; D395-I397 PolarHBondContact O-N 3.04Å; I397-Q399 VanDerWaalsContact C-N 3.3Å; I397-Q399 PolarHBondContact O-N 3.18Å; I397-K400 PolarHBondContact O-N 3.02Å; I397-I406 HydrophobicContact CD1-CG2 3.97Å; I397-I406 HydrophobicContact CG1-CD1 3.76Å; I397-I406 HydrophobicContact CG1-CG1 4.09Å; I397-I406 HydrophobicContact CG1-CG2 3.77Å; I397-Y428 HydrophobicContact CD1-CD1 4.3Å; I397-E431 HydrophobicContact CD1-CB 4.29Å; I397-E431 HydrophobicContact CG2-CB 4Å; I397-I432 HydrophobicContact CD1-CG1 4.26Å; I397-T435 HydrophobicContact CG2-CG2 4.35Å; I397-T435 WeakPolarHBondContact O-CG2 3.33Å; I397-Y436 HydrophobicContact CG2-CE2 4.3Å
398	A	98.4	Very high	98.2	Very high	81 Å²	81	52 Å²	52	67%	0.669	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-35.5	-179.6	0	0	0	0	0	112.9	E394 D395 K400	E394-A398 WeakPolarHBondContact O-CB 3.33Å; E394-A398 PolarHBondContact O-N 3.06Å; D395-A398 PolarHBondContact O-N 3.17Å; A398-K400 VanDerWaalsContact C-N 3.25Å; A398-K400 PolarHBondContact O-N 2.82Å
399	Q	98.3	Very high	98.3	Very high	143 Å²	143	46.7 Å²	46.7	67%	0.668	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.8	176.3	-66.7	176.7	27.9	0	0	113.6	D395 I397	D395-Q399 WeakPolarHBondContact O-CB 3.48Å; D395-Q399 VanDerWaalsContact O-CG 3.28Å; D395-Q399 WeakPolarHBondContact O-CG 3.41Å; D395-Q399 PolarHBondContact O-N 3.41Å; I397-Q399 VanDerWaalsContact C-N 3.3Å; I397-Q399 PolarHBondContact O-N 3.18Å
400	K	98.1	Very high	98.4	Very high	144 Å²	144	44.4 Å²	44.4	63%	0.626	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	42.7	-178.2	-158.8	177.1	-177.2	174.5	0	113	C396 I397 A398 T435 Y436	C396-K400 PolarHBondContact O-N 3.35Å; I397-K400 PolarHBondContact O-N 3.02Å; A398-K400 VanDerWaalsContact C-N 3.25Å; A398-K400 PolarHBondContact O-N 2.82Å; K400-T435 HydrophobicContact CB-CG2 4.35Å; K400-T435 HydrophobicContact CG-CG2 3.98Å; K400-Y436 WeakPolarHBondContact CA-OH 3.33Å; K400-Y436 HydrophobicContact CG-CE1 4.04Å
401	D	98.3	Very high	98.4	Very high	39 Å²	39	43.5 Å²	43.5	21%	0.209	23%	0.233	C	C	.	.			trans	-57.1	162.9	171	-90.2	11.1	0	0	0	112.1	C396 L403 K405 I406 Y436	C396-D401 HydrophobicContact CB-CB 4.07Å; C396-D401 WeakPolarHBondContact O-CB 3.38Å; C396-D401 PolarHBondContact O-N 3.04Å; C396-D401 PolarHBondContact SG-OD2 2.59Å; D401-L403 PolarHBondContact O-N 3.43Å; D401-L403 VanDerWaalsContact O-N 3.14Å; D401-K405 HydrophobicContact CB-CD 4.47Å; D401-K405 IonicContact OD2-NZ 2.7Å; D401-K405 PolarHBondContact OD2-NZ 2.99Å; D401-I406 HydrophobicContact CB-CD1 4.41Å; D401-Y436 PolarHBondContact N-OH 3.36Å; D401-Y436 WeakPolarHBondContact O-CE1 3.32Å; D401-Y436 PolarHBondContact O-OH 3.44Å
402	P	97.6	Very high	98.4	Very high	93 Å²	93	39 Å²	39	60%	0.604	21%	0.205	S	C	*	.			trans	-53.2	124.3	178.7	-27.4	35.6	0	0	0	112.8	I404 K405	P402-I404 PolarHBondContact O-N 2.88Å; P402-K405 VanDerWaalsContact O-CB 3.29Å; P402-K405 WeakPolarHBondContact O-CB 3.12Å; P402-K405 PolarHBondContact O-N 3.43Å
403	L	98.3	Very high	98.4	Very high	18 Å²	18	37.3 Å²	37.3	9%	0.094	20%	0.198	C	C	.	.	H	α-helix	trans	-50.1	-40.9	-176.9	174.9	60.4	0	0	0	113	D401 K405 I406 L407 I432 Y436 H440 M592	D401-L403 PolarHBondContact O-N 3.43Å; D401-L403 VanDerWaalsContact O-N 3.14Å; L403-K405 VanDerWaalsContact C-N 3.29Å; L403-K405 PolarHBondContact O-N 3.09Å; L403-I406 WeakPolarHBondContact O-CB 3.44Å; L403-I406 PolarHBondContact O-N 2.82Å; L403-I406 VanDerWaalsContact O-N 3.12Å; L403-L407 HydrophobicContact CD1-CD1 4.11Å; L403-L407 HydrophobicContact CD1-CD2 4.09Å; L403-L407 HydrophobicContact CD1-CG 3.81Å; L403-L407 HydrophobicContact CD2-CD1 4.24Å; L403-L407 HydrophobicContact CG-CD1 3.8Å; L403-L407 HydrophobicContact CG-CG 3.97Å; L403-L407 WeakPolarHBondContact O-CG 3.36Å; L403-L407 PolarHBondContact O-N 3.39Å; L403-I432 HydrophobicContact CD1-CG2 3.76Å; L403-Y436 HydrophobicContact CB-CD1 3.78Å; L403-Y436 HydrophobicContact CB-CE1 4.07Å; L403-Y436 HydrophobicContact CB-CG 4.16Å; L403-Y436 HydrophobicContact CD1-CD1 4.29Å; L403-Y436 HydrophobicContact CD1-CD2 3.78Å; L403-Y436 HydrophobicContact CD1-CE2 4.28Å; L403-Y436 HydrophobicContact CD1-CG 3.82Å; L403-Y436 HydrophobicContact CD2-CG 4.43Å; L403-Y436 HydrophobicContact CG-CD1 4.45Å; L403-Y436 HydrophobicContact CG-CG 4.35Å; L403-H440 VanDerWaalsContact CD2-CE1 3.44Å; L403-H440 WeakPolarHBondContact CD2-CE1 3.28Å; L403-H440 WeakPolarHBondContact CD2-NE2 3.31Å; L403-M592 HydrophobicContact CD2-CE 4.09Å
404	I	97.8	Very high	98.4	Very high	28 Å²	28	37.3 Å²	37.3	14%	0.144	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-37.9	-179.8	-60.2	-67.2	0	0	0	112.2	P402 L407 R408 T585 V588 K589 M592	P402-I404 PolarHBondContact O-N 2.88Å; I404-L407 PolarHBondContact O-N 3.31Å; I404-R408 HydrophobicContact CG2-CG 4.45Å; I404-R408 VanDerWaalsContact O-CG 3.3Å; I404-R408 WeakPolarHBondContact O-CG 3.3Å; I404-R408 PolarHBondContact O-N 3.47Å; I404-T585 HydrophobicContact CG2-CG2 3.97Å; I404-V588 HydrophobicContact CD1-CB 4.41Å; I404-V588 HydrophobicContact CD1-CG1 3.83Å; I404-V588 HydrophobicContact CG2-CB 4.35Å; I404-V588 HydrophobicContact CG2-CG1 4.44Å; I404-K589 HydrophobicContact CD1-CB 4.29Å; I404-M592 HydrophobicContact CD1-SD 3.36Å; I404-M592 WeakPolarHBondContact CD1-SD 3.33Å
405	K	97.9	Very high	98.3	Very high	45 Å²	45	35.1 Å²	35.1	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-48.8	175.1	176.5	-172.2	170.8	-171.8	0	110.1	N373 Y392 C396 D401 P402 L403 R408 L409	N373-K405 VanDerWaalsContact OD1-CE 3.31Å; N373-K405 WeakPolarHBondContact OD1-CE 3.46Å; Y392-K405 VanDerWaalsContact OH-CE 3.3Å; Y392-K405 WeakPolarHBondContact OH-CE 3.43Å; Y392-K405 PolarHBondContact OH-NZ 2.97Å; C396-K405 PolarHBondContact SG-NZ 3.24Å; D401-K405 HydrophobicContact CB-CD 4.47Å; D401-K405 IonicContact OD2-NZ 2.7Å; D401-K405 PolarHBondContact OD2-NZ 2.99Å; P402-K405 VanDerWaalsContact O-CB 3.29Å; P402-K405 WeakPolarHBondContact O-CB 3.12Å; P402-K405 PolarHBondContact O-N 3.43Å; L403-K405 VanDerWaalsContact C-N 3.29Å; L403-K405 PolarHBondContact O-N 3.09Å; K405-R408 WeakPolarHBondContact O-CB 3.18Å; K405-R408 PolarHBondContact O-N 3.21Å; K405-L409 HydrophobicContact CG-CD1 4.33Å; K405-L409 WeakPolarHBondContact O-CG 3.44Å; K405-L409 PolarHBondContact O-N 2.75Å; K405-L409 VanDerWaalsContact O-N 3.08Å
406	I	98.6	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-46.9	179.3	-66.8	154.1	0	0	0	110.7	I393 C396 I397 D401 L403 R408 L409 V410 I432 Y436	I393-I406 HydrophobicContact CG2-CG2 4.3Å; C396-I406 HydrophobicContact CB-CG1 4.21Å; I397-I406 HydrophobicContact CD1-CG2 3.97Å; I397-I406 HydrophobicContact CG1-CD1 3.76Å; I397-I406 HydrophobicContact CG1-CG1 4.09Å; I397-I406 HydrophobicContact CG1-CG2 3.77Å; D401-I406 HydrophobicContact CB-CD1 4.41Å; L403-I406 WeakPolarHBondContact O-CB 3.44Å; L403-I406 PolarHBondContact O-N 2.82Å; L403-I406 VanDerWaalsContact O-N 3.12Å; I406-R408 VanDerWaalsContact C-N 3.3Å; I406-R408 PolarHBondContact O-N 2.92Å; I406-L409 PolarHBondContact O-N 2.74Å; I406-V410 HydrophobicContact CG2-CG1 4.41Å; I406-V410 WeakPolarHBondContact O-CG2 3.36Å; I406-V410 PolarHBondContact O-N 3.05Å; I406-I432 HydrophobicContact CG2-CD1 4.09Å; I406-I432 HydrophobicContact CG2-CG1 4.11Å; I406-Y436 HydrophobicContact CD1-CE1 4.44Å; I406-Y436 HydrophobicContact CD1-CE2 3.65Å; I406-Y436 VanDerWaalsContact CD1-CZ 3.42Å; I406-Y436 WeakPolarHBondContact CD1-OH 3.18Å
407	L	98.8	Very high	98.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-38.2	178.5	-67.6	-179.8	0	0	0	112.1	L403 I404 S411 I432 T443 L444 L447 V588	L403-L407 HydrophobicContact CD1-CD1 4.11Å; L403-L407 HydrophobicContact CD1-CD2 4.09Å; L403-L407 HydrophobicContact CD1-CG 3.81Å; L403-L407 HydrophobicContact CD2-CD1 4.24Å; L403-L407 HydrophobicContact CG-CD1 3.8Å; L403-L407 HydrophobicContact CG-CG 3.97Å; L403-L407 WeakPolarHBondContact O-CG 3.36Å; L403-L407 PolarHBondContact O-N 3.39Å; I404-L407 PolarHBondContact O-N 3.31Å; L407-S411 WeakPolarHBondContact O-CB 3.41Å; L407-S411 PolarHBondContact O-N 3.06Å; L407-S411 PolarHBondContact O-OG 2.87Å; L407-I432 HydrophobicContact CD2-CD1 4.16Å; L407-T443 HydrophobicContact CD1-CG2 3.71Å; L407-L444 HydrophobicContact CD2-CD2 4.12Å; L407-L447 HydrophobicContact CB-CD1 4.28Å; L407-L447 HydrophobicContact CD1-CD1 4.22Å; L407-L447 HydrophobicContact CD2-CD1 3.75Å; L407-L447 HydrophobicContact CG-CD1 4.29Å; L407-V588 HydrophobicContact CB-CG1 3.9Å; L407-V588 HydrophobicContact CD1-CG1 3.9Å
408	R	98.6	Very high	97.9	Very high	18 Å²	18	33 Å²	33	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-50.9	173.5	-74.1	170.2	68.4	163.5	5.2	111.2	L240 A241 E252 I404 K405 I406 S411 M412 T585 V588	L240-R408 PolarHBondContact O-NE 3.49Å; L240-R408 PolarHBondContact O-NH2 2.68Å; A241-R408 PolarHBondContact O-NH2 3.31Å; E252-R408 IonicContact OE1-CZ 3.5Å; E252-R408 IonicContact OE1-NH1 2.87Å; E252-R408 IonicContact OE1-NH2 3.35Å; E252-R408 PolarHBondContact OE1-NH2 2.88Å; E252-R408 VanDerWaalsContact OE1-NH2 3.09Å; E252-R408 IonicContact OE2-CZ 3.19Å; E252-R408 IonicContact OE2-NH1 3.97Å; E252-R408 PolarHBondContact OE2-NH1 3.05Å; E252-R408 IonicContact OE2-NH2 2.91Å; E252-R408 PolarHBondContact OE2-NH2 3.46Å; I404-R408 HydrophobicContact CG2-CG 4.45Å; I404-R408 VanDerWaalsContact O-CG 3.3Å; I404-R408 WeakPolarHBondContact O-CG 3.3Å; I404-R408 PolarHBondContact O-N 3.47Å; K405-R408 WeakPolarHBondContact O-CB 3.18Å; K405-R408 PolarHBondContact O-N 3.21Å; I406-R408 VanDerWaalsContact C-N 3.3Å; I406-R408 PolarHBondContact O-N 2.92Å; R408-S411 PolarHBondContact O-N 2.93Å; R408-M412 VanDerWaalsContact O-CB 3.25Å; R408-M412 WeakPolarHBondContact O-CB 3.24Å; R408-M412 PolarHBondContact O-N 3.04Å; R408-T585 PolarHBondContact NH1-OG1 2.69Å; R408-V588 HydrophobicContact CG-CG2 4.07Å
409	L	98.7	Very high	97.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-48.1	-177.8	-68.9	171.4	0	0	0	112.6	V376 E377 Y392 I393 K405 I406 S411 M412 Q413	V376-L409 HydrophobicContact CG1-CD2 4.32Å; E377-L409 HydrophobicContact CG-CD2 3.89Å; Y392-L409 HydrophobicContact CD1-CD1 4.34Å; Y392-L409 HydrophobicContact CE1-CD1 3.95Å; I393-L409 HydrophobicContact CD1-CB 3.73Å; I393-L409 HydrophobicContact CG1-CB 3.99Å; I393-L409 HydrophobicContact CG1-CD1 4.08Å; K405-L409 HydrophobicContact CG-CD1 4.33Å; K405-L409 WeakPolarHBondContact O-CG 3.44Å; K405-L409 PolarHBondContact O-N 2.75Å; K405-L409 VanDerWaalsContact O-N 3.08Å; I406-L409 PolarHBondContact O-N 2.74Å; L409-S411 VanDerWaalsContact C-N 3.33Å; L409-S411 PolarHBondContact O-N 3.02Å; L409-M412 PolarHBondContact O-N 3.18Å; L409-Q413 PolarHBondContact O-N 2.72Å
410	V	98.7	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.3	-33.5	179.2	-59.1	0	0	0	0	112.2	I393 I406 S414 Y428 L453	I393-V410 HydrophobicContact CD1-CG1 4.11Å; I393-V410 HydrophobicContact CG2-CG1 3.79Å; I406-V410 HydrophobicContact CG2-CG1 4.41Å; I406-V410 WeakPolarHBondContact O-CG2 3.36Å; I406-V410 PolarHBondContact O-N 3.05Å; V410-S414 WeakPolarHBondContact O-CB 3.36Å; V410-S414 PolarHBondContact O-N 3.01Å; V410-Y428 HydrophobicContact CG1-CD1 4.02Å; V410-Y428 HydrophobicContact CG1-CD2 4.14Å; V410-Y428 HydrophobicContact CG1-CE1 4.19Å; V410-Y428 HydrophobicContact CG1-CE2 4.29Å; V410-Y428 HydrophobicContact CG1-CG 4Å; V410-L453 HydrophobicContact CB-CD1 4.24Å; V410-L453 HydrophobicContact CG2-CD1 4.13Å; V410-L453 HydrophobicContact CG2-CD2 3.98Å
411	S	98.7	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.5	-41.4	174.5	-61	0	0	0	0	110.8	L407 R408 L409 S414 V415 L452	L407-S411 WeakPolarHBondContact O-CB 3.41Å; L407-S411 PolarHBondContact O-N 3.06Å; L407-S411 PolarHBondContact O-OG 2.87Å; R408-S411 PolarHBondContact O-N 2.93Å; L409-S411 VanDerWaalsContact C-N 3.33Å; L409-S411 PolarHBondContact O-N 3.02Å; S411-S414 WeakPolarHBondContact O-CB 3.3Å; S411-S414 PolarHBondContact O-N 3.03Å; S411-V415 WeakPolarHBondContact O-CB 3.13Å; S411-V415 VanDerWaalsContact O-CG2 3.3Å; S411-V415 WeakPolarHBondContact O-CG2 3.42Å; S411-V415 PolarHBondContact O-N 2.87Å; S411-L452 VanDerWaalsContact CA-O 3.25Å; S411-L452 WeakPolarHBondContact CA-O 3.42Å
412	M	98.5	Very high	97.6	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-44.6	178.1	-179.8	163.7	165.3	0	0	111.4	L237 L240 E377 F380 M381 R408 L409 S414 V415 C416	L237-M412 HydrophobicContact CD1-CE 4.2Å; L237-M412 HydrophobicContact CD1-CG 3.62Å; L237-M412 HydrophobicContact CD1-SD 4.27Å; L240-M412 HydrophobicContact CB-CB 4.23Å; L240-M412 HydrophobicContact CD1-CB 4.05Å; E377-M412 HydrophobicContact CB-CE 3.73Å; E377-M412 HydrophobicContact CB-SD 4.16Å; E377-M412 HydrophobicContact CG-CE 4.16Å; E377-M412 HydrophobicContact CG-SD 3.9Å; E377-M412 WeakPolarHBondContact O-CE 3.36Å; F380-M412 HydrophobicContact CB-CE 4.1Å; F380-M412 HydrophobicContact CB-CG 4.34Å; F380-M412 HydrophobicContact CD2-CG 4.26Å; M381-M412 HydrophobicContact CE-CE 3.45Å; M381-M412 VanDerWaalsContact CE-CE 3.45Å; M381-M412 HydrophobicContact CG-CE 3.3Å; M381-M412 HydrophobicContact SD-CE 4.11Å; R408-M412 VanDerWaalsContact O-CB 3.25Å; R408-M412 WeakPolarHBondContact O-CB 3.24Å; R408-M412 PolarHBondContact O-N 3.04Å; L409-M412 PolarHBondContact O-N 3.18Å; M412-S414 VanDerWaalsContact C-N 3.32Å; M412-S414 PolarHBondContact O-N 3.16Å; M412-V415 PolarHBondContact O-N 2.96Å; M412-C416 WeakPolarHBondContact O-CB 3.48Å; M412-C416 PolarHBondContact O-N 3.34Å; M412-C416 PolarHBondContact O-SG 3.21Å
413	Q	98.4	Very high	97.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-46.5	172.3	-164.1	-174.9	25.2	0	0	111.6	F380 D385 T386 K388 L409 C416 N417 L420 Y428	F380-Q413 HydrophobicContact CD1-CB 4.48Å; F380-Q413 HydrophobicContact CD1-CG 4.09Å; F380-Q413 HydrophobicContact CD2-CB 3.93Å; F380-Q413 HydrophobicContact CD2-CG 4.41Å; F380-Q413 HydrophobicContact CE1-CB 4.24Å; F380-Q413 HydrophobicContact CE1-CG 3.72Å; F380-Q413 HydrophobicContact CE2-CB 3.66Å; F380-Q413 HydrophobicContact CE2-CG 4.06Å; F380-Q413 HydrophobicContact CG-CB 4.34Å; F380-Q413 HydrophobicContact CG-CG 4.42Å; F380-Q413 HydrophobicContact CZ-CB 3.83Å; F380-Q413 HydrophobicContact CZ-CG 3.7Å; D385-Q413 PolarHBondContact O-NE2 3.15Å; T386-Q413 WeakPolarHBondContact O-CG 3.49Å; K388-Q413 PolarHBondContact O-NE2 3.31Å; L409-Q413 PolarHBondContact O-N 2.72Å; Q413-C416 PolarHBondContact O-N 2.97Å; Q413-N417 VanDerWaalsContact O-CB 3.3Å; Q413-N417 WeakPolarHBondContact O-CB 3.29Å; Q413-N417 PolarHBondContact O-N 3.07Å; Q413-N417 VanDerWaalsContact O-N 3.08Å; Q413-L420 HydrophobicContact CG-CD2 4.04Å; Q413-Y428 VanDerWaalsContact OE1-CE2 3.29Å; Q413-Y428 PolarHBondContact OE1-OH 3.44Å
414	S	98.2	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-46.6	178.1	-165.9	0	0	0	0	111.9	V410 S411 M412 N417 N418 G419 L452 K454	V410-S414 WeakPolarHBondContact O-CB 3.36Å; V410-S414 PolarHBondContact O-N 3.01Å; S411-S414 WeakPolarHBondContact O-CB 3.3Å; S411-S414 PolarHBondContact O-N 3.03Å; M412-S414 VanDerWaalsContact C-N 3.32Å; M412-S414 PolarHBondContact O-N 3.16Å; S414-N417 CarbonylContact O-C 3.52Å; S414-N417 PolarHBondContact O-N 2.72Å; S414-N417 VanDerWaalsContact O-N 3.16Å; S414-N418 PolarHBondContact O-N 3.41Å; S414-G419 PolarHBondContact O-N 3.02Å; S414-G419 WeakPolarHBondContact OG-CA 3.36Å; S414-L452 VanDerWaalsContact CB-O 3.26Å; S414-L452 WeakPolarHBondContact CB-O 3.43Å; S414-K454 PolarHBondContact OG-N 3.38Å; S414-K454 PolarHBondContact OG-O 3.03Å
415	V	97.4	Very high	97.6	Very high	30 Å²	30	25.2 Å²	25.2	18%	0.182	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-46.5	179	170.2	0	0	0	0	111.2	L236 L237 L240 S411 M412 N417 N418 L452	L236-V415 HydrophobicContact CB-CG1 4.38Å; L236-V415 HydrophobicContact CB-CG2 4.05Å; L236-V415 HydrophobicContact CD1-CG2 4.49Å; L237-V415 HydrophobicContact CB-CG1 3.98Å; L237-V415 HydrophobicContact CD1-CG1 4.49Å; L240-V415 HydrophobicContact CD1-CG2 4.31Å; S411-V415 WeakPolarHBondContact O-CB 3.13Å; S411-V415 VanDerWaalsContact O-CG2 3.3Å; S411-V415 WeakPolarHBondContact O-CG2 3.42Å; S411-V415 PolarHBondContact O-N 2.87Å; M412-V415 PolarHBondContact O-N 2.96Å; V415-N417 PolarHBondContact O-N 2.91Å; V415-N418 PolarHBondContact O-N 3.13Å; V415-L452 HydrophobicContact CG2-CD2 4.32Å
416	C	96.9	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-21.8	177.4	-70.5	0	0	0	0	113.5	F380 T386 M412 Q413 N461 Y463	F380-C416 WeakPolarHBondContact O-CB 3.39Å; F380-C416 PolarHBondContact O-SG 2.87Å; T386-C416 HydrophobicContact CG2-CB 4.03Å; M412-C416 WeakPolarHBondContact O-CB 3.48Å; M412-C416 PolarHBondContact O-N 3.34Å; M412-C416 PolarHBondContact O-SG 3.21Å; Q413-C416 PolarHBondContact O-N 2.97Å; C416-N461 PolarHBondContact O-ND2 3.37Å; C416-Y463 HydrophobicContact CB-CD1 3.99Å; C416-Y463 HydrophobicContact CB-CE1 4.01Å; C416-Y463 WeakPolarHBondContact O-CB 3.25Å; C416-Y463 WeakPolarHBondContact O-CD1 3.45Å
417	N	95.7	Very high	97.6	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.053	15%	0.145	C	C	.	.	H	α-helix	trans	-101.3	-1.4	179.3	-157	53.9	0	0	0	114.7	T386 Q413 S414 V415 G419 L420 Q456 N461	T386-N417 WeakPolarHBondContact O-CB 3.2Å; T386-N417 PolarHBondContact OG1-OD1 3.14Å; T386-N417 VanDerWaalsContact OG1-OD1 3.04Å; Q413-N417 VanDerWaalsContact O-CB 3.3Å; Q413-N417 WeakPolarHBondContact O-CB 3.29Å; Q413-N417 PolarHBondContact O-N 3.07Å; Q413-N417 VanDerWaalsContact O-N 3.08Å; S414-N417 CarbonylContact O-C 3.52Å; S414-N417 PolarHBondContact O-N 2.72Å; S414-N417 VanDerWaalsContact O-N 3.16Å; V415-N417 PolarHBondContact O-N 2.91Å; N417-G419 VanDerWaalsContact C-N 3.34Å; N417-G419 WeakPolarHBondContact CB-O 3.44Å; N417-G419 PolarHBondContact ND2-O 2.73Å; N417-L420 HydrophobicContact CB-CD2 4.44Å; N417-Q456 PolarHBondContact O-NE2 3.06Å; N417-N461 WeakPolarHBondContact CA-ND2 2.89Å
418	N	95	Very high	97.6	Very high	40 Å²	40	29.3 Å²	29.3	21%	0.214	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	46.8	-167.6	-172.3	34.8	0	0	0	113	S414 V415 K454	S414-N418 PolarHBondContact O-N 3.41Å; V415-N418 PolarHBondContact O-N 3.13Å; N418-K454 PolarHBondContact OD1-NZ 2.76Å
419	G	96.7	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	99.3	162.2	-174.6	0	0	0	0	0	112.9	S414 N417 K454	S414-G419 PolarHBondContact O-N 3.02Å; S414-G419 WeakPolarHBondContact OG-CA 3.36Å; N417-G419 VanDerWaalsContact C-N 3.34Å; N417-G419 WeakPolarHBondContact CB-O 3.44Å; N417-G419 PolarHBondContact ND2-O 2.73Å; G419-K454 CarbonylContact C-O 3.52Å; G419-K454 WeakPolarHBondContact CA-O 3.23Å
420	L	97.1	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-104.2	151.7	179.6	-60.4	177.7	0	0	0	111	Q413 N417 V424 L425 Y428 L453 K454 P455 Q456	Q413-L420 HydrophobicContact CG-CD2 4.04Å; N417-L420 HydrophobicContact CB-CD2 4.44Å; L420-V424 HydrophobicContact CD1-CG1 4.29Å; L420-L425 HydrophobicContact CB-CB 4.16Å; L420-Y428 HydrophobicContact CD1-CD2 3.98Å; L420-Y428 HydrophobicContact CD1-CE2 4.19Å; L420-L453 HydrophobicContact CD1-CD1 3.92Å; L420-K454 PolarHBondContact N-O 3.39Å; L420-P455 WeakPolarHBondContact O-CA 3.3Å; L420-Q456 PolarHBondContact O-N 3.45Å
421	K	95.9	Very high	97.6	Very high	91 Å²	91	37.4 Å²	37.4	40%	0.396	18%	0.179	S	C	.	.			trans	-61.1	145.7	172.4	-71.3	169.7	-179.8	160.1	0	109.4	D387 K423 V424 L425	D387-K421 IonicContact OD2-NZ 2.88Å; D387-K421 PolarHBondContact OD2-NZ 2.91Å; K421-K423 VanDerWaalsContact C-N 3.29Å; K421-K423 PolarHBondContact O-N 3.41Å; K421-K423 VanDerWaalsContact O-N 3.14Å; K421-V424 HydrophobicContact CB-CG2 4.46Å; K421-V424 PolarHBondContact O-N 3.38Å; K421-L425 PolarHBondContact O-N 3.11Å
422	P	95.9	Very high	97.6	Very high	84 Å²	84	37.4 Å²	37.4	55%	0.545	18%	0.179	S	C	.	.	H	α-helix	trans	-50.2	-45.1	-176.4	-30.3	35.4	0	0	0	113.9	V424 L425 D426	P422-V424 VanDerWaalsContact C-N 3.33Å; P422-V424 PolarHBondContact O-N 3.29Å; P422-L425 PolarHBondContact O-N 3.14Å; P422-D426 VanDerWaalsContact O-CB 3.3Å; P422-D426 WeakPolarHBondContact O-CB 3.36Å; P422-D426 PolarHBondContact O-N 3.5Å
423	K	97.3	Very high	97.6	Very high	188 Å²	188	38.7 Å²	38.7	82%	0.817	19%	0.186	S	C	*	.	H	α-helix	trans	-59	-39.8	178.2	-67.5	-173.2	177.9	-176.3	0	113.9	K421 Y427	K421-K423 VanDerWaalsContact C-N 3.29Å; K421-K423 PolarHBondContact O-N 3.41Å; K421-K423 VanDerWaalsContact O-N 3.14Å; K423-Y427 VanDerWaalsContact O-CB 3.28Å; K423-Y427 WeakPolarHBondContact O-CB 3.34Å; K423-Y427 PolarHBondContact O-N 3.24Å
424	V	98.1	Very high	97.6	Very high	15 Å²	15	45.2 Å²	45.2	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-75.3	-44	-179.5	178.6	0	0	0	0	109.8	V389 L420 K421 P422 Y427 Y428	V389-V424 HydrophobicContact CG2-CG1 4.05Å; V389-V424 HydrophobicContact CG2-CG2 4.44Å; L420-V424 HydrophobicContact CD1-CG1 4.29Å; K421-V424 HydrophobicContact CB-CG2 4.46Å; K421-V424 PolarHBondContact O-N 3.38Å; P422-V424 VanDerWaalsContact C-N 3.33Å; P422-V424 PolarHBondContact O-N 3.29Å; V424-Y427 WeakPolarHBondContact O-CB 3.44Å; V424-Y427 PolarHBondContact O-N 2.92Å; V424-Y428 HydrophobicContact CG1-CD2 3.95Å; V424-Y428 HydrophobicContact CG1-CE2 3.63Å; V424-Y428 WeakPolarHBondContact O-CD2 3.3Å; V424-Y428 PolarHBondContact O-N 2.86Å
425	L	98.3	Very high	97.6	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-49.2	177.6	-176.3	61	0	0	0	111.8	L420 K421 P422 Y427 Y428 K429 L453 P455	L420-L425 HydrophobicContact CB-CB 4.16Å; K421-L425 PolarHBondContact O-N 3.11Å; P422-L425 PolarHBondContact O-N 3.14Å; L425-Y427 VanDerWaalsContact C-N 3.27Å; L425-Y427 PolarHBondContact O-N 3.21Å; L425-Y428 PolarHBondContact O-N 3.18Å; L425-K429 HydrophobicContact CD1-CD 4.38Å; L425-K429 HydrophobicContact CD1-CG 4.33Å; L425-K429 HydrophobicContact CG-CD 4.13Å; L425-K429 HydrophobicContact CG-CG 4.43Å; L425-K429 WeakPolarHBondContact O-CB 3.37Å; L425-K429 WeakPolarHBondContact O-CG 3.5Å; L425-K429 PolarHBondContact O-N 3.47Å; L425-L453 HydrophobicContact CD1-CD1 3.67Å; L425-L453 HydrophobicContact CD1-CD2 4.36Å; L425-L453 HydrophobicContact CD1-CG 3.76Å; L425-P455 HydrophobicContact CD2-CB 4.09Å
426	D	98.3	Very high	97.6	Very high	90 Å²	90	47.6 Å²	47.6	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-65.4	-32.7	179.9	-67.7	-19.6	0	0	0	111.8	P422 R430	P422-D426 VanDerWaalsContact O-CB 3.3Å; P422-D426 WeakPolarHBondContact O-CB 3.36Å; P422-D426 PolarHBondContact O-N 3.5Å; D426-R430 VanDerWaalsContact O-CB 3.26Å; D426-R430 WeakPolarHBondContact O-CB 3.33Å; D426-R430 PolarHBondContact O-N 3.28Å
427	Y	98.7	Very high	97.6	Very high	41 Å²	41	48.5 Å²	48.5	16%	0.161	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-57.7	170.9	174.6	-81	0	0	0	110.2	V389 E394 K423 V424 L425 K429 R430 E431	V389-Y427 HydrophobicContact CB-CD1 4.45Å; V389-Y427 HydrophobicContact CG1-CD1 3.87Å; V389-Y427 HydrophobicContact CG1-CE1 3.54Å; V389-Y427 HydrophobicContact CG2-CD1 3.64Å; V389-Y427 HydrophobicContact CG2-CE1 4.16Å; V389-Y427 HydrophobicContact CG2-CG 3.93Å; E394-Y427 VanDerWaalsContact CG-OH 3.24Å; E394-Y427 WeakPolarHBondContact CG-OH 3.36Å; E394-Y427 PolarHBondContact OE1-OH 3.29Å; K423-Y427 VanDerWaalsContact O-CB 3.28Å; K423-Y427 WeakPolarHBondContact O-CB 3.34Å; K423-Y427 PolarHBondContact O-N 3.24Å; V424-Y427 WeakPolarHBondContact O-CB 3.44Å; V424-Y427 PolarHBondContact O-N 2.92Å; L425-Y427 VanDerWaalsContact C-N 3.27Å; L425-Y427 PolarHBondContact O-N 3.21Å; Y427-K429 PolarHBondContact O-N 3.41Å; Y427-R430 PolarHBondContact O-N 2.84Å; Y427-R430 VanDerWaalsContact O-N 3.13Å; Y427-E431 HydrophobicContact CD1-CG 4.17Å; Y427-E431 HydrophobicContact CE1-CG 3.68Å; Y427-E431 HydrophobicContact CE2-CG 4.07Å; Y427-E431 WeakPolarHBondContact O-CG 3.46Å; Y427-E431 PolarHBondContact O-N 3.22Å
428	Y	98.7	Very high	97.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-43.4	-179.5	-73.6	-49.4	0	0	0	113.1	V389 N390 I393 I397 V410 Q413 L420 V424 L425 R430 E431 I432	V389-Y428 WeakPolarHBondContact CA-OH 3.24Å; V389-Y428 HydrophobicContact CG1-CE1 4.06Å; N390-Y428 PolarHBondContact N-OH 2.77Å; I393-Y428 HydrophobicContact CB-CE1 4.2Å; I393-Y428 HydrophobicContact CG2-CD1 4.26Å; I393-Y428 HydrophobicContact CG2-CE1 3.66Å; I397-Y428 HydrophobicContact CD1-CD1 4.3Å; V410-Y428 HydrophobicContact CG1-CD1 4.02Å; V410-Y428 HydrophobicContact CG1-CD2 4.14Å; V410-Y428 HydrophobicContact CG1-CE1 4.19Å; V410-Y428 HydrophobicContact CG1-CE2 4.29Å; V410-Y428 HydrophobicContact CG1-CG 4Å; Q413-Y428 VanDerWaalsContact OE1-CE2 3.29Å; Q413-Y428 PolarHBondContact OE1-OH 3.44Å; L420-Y428 HydrophobicContact CD1-CD2 3.98Å; L420-Y428 HydrophobicContact CD1-CE2 4.19Å; V424-Y428 HydrophobicContact CG1-CD2 3.95Å; V424-Y428 HydrophobicContact CG1-CE2 3.63Å; V424-Y428 WeakPolarHBondContact O-CD2 3.3Å; V424-Y428 PolarHBondContact O-N 2.86Å; L425-Y428 PolarHBondContact O-N 3.18Å; Y428-R430 VanDerWaalsContact C-N 3.31Å; Y428-R430 PolarHBondContact O-N 2.87Å; Y428-E431 PolarHBondContact O-N 3.15Å; Y428-I432 WeakPolarHBondContact O-CB 3.36Å; Y428-I432 WeakPolarHBondContact O-CD1 3.3Å; Y428-I432 WeakPolarHBondContact O-CG1 3.37Å; Y428-I432 PolarHBondContact O-N 3.36Å
429	K	98.7	Very high	97.6	Very high	43 Å²	43	59.2 Å²	59.2	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-57.9	-45	176.8	-72	-176.2	173	-177.5	0	110.8	L425 Y427 L433 L444 E448	L425-K429 HydrophobicContact CD1-CD 4.38Å; L425-K429 HydrophobicContact CD1-CG 4.33Å; L425-K429 HydrophobicContact CG-CD 4.13Å; L425-K429 HydrophobicContact CG-CG 4.43Å; L425-K429 WeakPolarHBondContact O-CB 3.37Å; L425-K429 WeakPolarHBondContact O-CG 3.5Å; L425-K429 PolarHBondContact O-N 3.47Å; Y427-K429 PolarHBondContact O-N 3.41Å; K429-L433 WeakPolarHBondContact O-CB 3.37Å; K429-L433 WeakPolarHBondContact O-CD1 3.48Å; K429-L433 WeakPolarHBondContact O-CG 3.35Å; K429-L433 PolarHBondContact O-N 3.34Å; K429-L433 VanDerWaalsContact O-N 3.07Å; K429-L444 HydrophobicContact CB-CD1 4.17Å; K429-L444 HydrophobicContact CG-CD1 4.08Å; K429-E448 IonicContact NZ-OE2 2.72Å; K429-E448 PolarHBondContact NZ-OE2 3.31Å
430	R	98.8	Very high	97.6	Very high	104 Å²	104	60.7 Å²	60.7	39%	0.392	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-51.1	179	-178.6	-178.2	61.8	-101.3	-10.1	112	D426 Y427 Y428 I432 L433 Q434	D426-R430 VanDerWaalsContact O-CB 3.26Å; D426-R430 WeakPolarHBondContact O-CB 3.33Å; D426-R430 PolarHBondContact O-N 3.28Å; Y427-R430 PolarHBondContact O-N 2.84Å; Y427-R430 VanDerWaalsContact O-N 3.13Å; Y428-R430 VanDerWaalsContact C-N 3.31Å; Y428-R430 PolarHBondContact O-N 2.87Å; R430-I432 VanDerWaalsContact C-N 3.32Å; R430-I432 PolarHBondContact O-N 3.25Å; R430-L433 PolarHBondContact O-N 3.22Å; R430-Q434 HydrophobicContact CG-CG 4.34Å; R430-Q434 WeakPolarHBondContact O-CB 3.4Å; R430-Q434 WeakPolarHBondContact O-CG 3.32Å; R430-Q434 PolarHBondContact O-N 2.59Å
431	E	98.8	Very high	97.6	Very high	43 Å²	43	64 Å²	64	20%	0.201	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-38.9	-177.4	-57.4	-46.9	119.7	0	0	111.4	I397 Y427 Y428 T435	I397-E431 HydrophobicContact CD1-CB 4.29Å; I397-E431 HydrophobicContact CG2-CB 4Å; Y427-E431 HydrophobicContact CD1-CG 4.17Å; Y427-E431 HydrophobicContact CE1-CG 3.68Å; Y427-E431 HydrophobicContact CE2-CG 4.07Å; Y427-E431 WeakPolarHBondContact O-CG 3.46Å; Y427-E431 PolarHBondContact O-N 3.22Å; Y428-E431 PolarHBondContact O-N 3.15Å; E431-T435 WeakPolarHBondContact O-CB 3.29Å; E431-T435 PolarHBondContact O-N 3.27Å; E431-T435 VanDerWaalsContact O-N 3.09Å; E431-T435 PolarHBondContact O-OG1 2.84Å; E431-T435 VanDerWaalsContact O-OG1 3.13Å
432	I	98.6	Very high	97.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-48.7	175.5	-70.5	166.1	0	0	0	110.9	I397 L403 I406 L407 Y428 R430 Q434 T435 Y436 L444	I397-I432 HydrophobicContact CD1-CG1 4.26Å; L403-I432 HydrophobicContact CD1-CG2 3.76Å; I406-I432 HydrophobicContact CG2-CD1 4.09Å; I406-I432 HydrophobicContact CG2-CG1 4.11Å; L407-I432 HydrophobicContact CD2-CD1 4.16Å; Y428-I432 WeakPolarHBondContact O-CB 3.36Å; Y428-I432 WeakPolarHBondContact O-CD1 3.3Å; Y428-I432 WeakPolarHBondContact O-CG1 3.37Å; Y428-I432 PolarHBondContact O-N 3.36Å; R430-I432 VanDerWaalsContact C-N 3.32Å; R430-I432 PolarHBondContact O-N 3.25Å; I432-Q434 PolarHBondContact O-N 2.8Å; I432-T435 PolarHBondContact O-N 2.98Å; I432-Y436 HydrophobicContact CG2-CD2 4.23Å; I432-Y436 WeakPolarHBondContact O-CB 3.36Å; I432-Y436 WeakPolarHBondContact O-CD2 3.38Å; I432-Y436 PolarHBondContact O-N 2.96Å; I432-L444 HydrophobicContact CD1-CD2 4.21Å; I432-L444 HydrophobicContact CG2-CD1 4.46Å
433	L	98.4	Very high	97.7	Very high	29 Å²	29	60 Å²	60	15%	0.152	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-37.5	-177.9	-67.7	171	0	0	0	112.3	K429 R430 G437 Y438 H440 I441 L444	K429-L433 WeakPolarHBondContact O-CB 3.37Å; K429-L433 WeakPolarHBondContact O-CD1 3.48Å; K429-L433 WeakPolarHBondContact O-CG 3.35Å; K429-L433 PolarHBondContact O-N 3.34Å; K429-L433 VanDerWaalsContact O-N 3.07Å; R430-L433 PolarHBondContact O-N 3.22Å; L433-G437 CarbonylContact O-C 3.34Å; L433-G437 WeakPolarHBondContact O-CA 3.29Å; L433-G437 PolarHBondContact O-N 3.43Å; L433-G437 VanDerWaalsContact O-N 3.15Å; L433-Y438 HydrophobicContact CB-CD2 4.43Å; L433-Y438 HydrophobicContact CD1-CD2 4.37Å; L433-Y438 HydrophobicContact CD1-CE2 4.24Å; L433-H440 HydrophobicContact CD2-CB 4.29Å; L433-I441 HydrophobicContact CD2-CB 4.03Å; L433-I441 VanDerWaalsContact CD2-N 3.3Å; L433-L444 HydrophobicContact CD1-CD1 4.25Å; L433-L444 HydrophobicContact CD2-CD1 3.92Å; L433-L444 HydrophobicContact CG-CD1 3.9Å
434	Q	98.5	Very high	97.8	Very high	137 Å²	137	51.2 Å²	51.2	64%	0.64	24%	0.243	S	C	*	.	H	α-helix	trans	-68.4	-36.9	178.6	-73	179.7	-1	0	0	112.4	R430 I432	R430-Q434 HydrophobicContact CG-CG 4.34Å; R430-Q434 WeakPolarHBondContact O-CB 3.4Å; R430-Q434 WeakPolarHBondContact O-CG 3.32Å; R430-Q434 PolarHBondContact O-N 2.59Å; I432-Q434 PolarHBondContact O-N 2.8Å
435	T	98.6	Very high	97.8	Very high	45 Å²	45	53.7 Å²	53.7	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-86.7	-39.8	-176.3	-62.4	0	0	0	0	113.5	I397 K400 E431 I432	I397-T435 HydrophobicContact CG2-CG2 4.35Å; I397-T435 WeakPolarHBondContact O-CG2 3.33Å; K400-T435 HydrophobicContact CB-CG2 4.35Å; K400-T435 HydrophobicContact CG-CG2 3.98Å; E431-T435 WeakPolarHBondContact O-CB 3.29Å; E431-T435 PolarHBondContact O-N 3.27Å; E431-T435 VanDerWaalsContact O-N 3.09Å; E431-T435 PolarHBondContact O-OG1 2.84Å; E431-T435 VanDerWaalsContact O-OG1 3.13Å; I432-T435 PolarHBondContact O-N 2.98Å
436	Y	97.4	Very high	97.8	Very high	34 Å²	34	54 Å²	54	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-105.2	-15.8	-170.4	-62.1	-80.5	0	0	0	114.5	I397 K400 D401 L403 I406 I432 H440	I397-Y436 HydrophobicContact CG2-CE2 4.3Å; K400-Y436 WeakPolarHBondContact CA-OH 3.33Å; K400-Y436 HydrophobicContact CG-CE1 4.04Å; D401-Y436 PolarHBondContact N-OH 3.36Å; D401-Y436 WeakPolarHBondContact O-CE1 3.32Å; D401-Y436 PolarHBondContact O-OH 3.44Å; L403-Y436 HydrophobicContact CB-CD1 3.78Å; L403-Y436 HydrophobicContact CB-CE1 4.07Å; L403-Y436 HydrophobicContact CB-CG 4.16Å; L403-Y436 HydrophobicContact CD1-CD1 4.29Å; L403-Y436 HydrophobicContact CD1-CD2 3.78Å; L403-Y436 HydrophobicContact CD1-CE2 4.28Å; L403-Y436 HydrophobicContact CD1-CG 3.82Å; L403-Y436 HydrophobicContact CD2-CG 4.43Å; L403-Y436 HydrophobicContact CG-CD1 4.45Å; L403-Y436 HydrophobicContact CG-CG 4.35Å; I406-Y436 HydrophobicContact CD1-CE1 4.44Å; I406-Y436 HydrophobicContact CD1-CE2 3.65Å; I406-Y436 VanDerWaalsContact CD1-CZ 3.42Å; I406-Y436 WeakPolarHBondContact CD1-OH 3.18Å; I432-Y436 HydrophobicContact CG2-CD2 4.23Å; I432-Y436 WeakPolarHBondContact O-CB 3.36Å; I432-Y436 WeakPolarHBondContact O-CD2 3.38Å; I432-Y436 PolarHBondContact O-N 2.96Å; Y436-H440 PolarHBondContact O-CD2 2.87Å
437	G	96.3	Very high	97.8	Very high	19 Å²	19	49.8 Å²	49.8	20%	0.196	24%	0.235	C	C	.	.			trans	117.5	148.9	179.6	0	0	0	0	0	113.1	L433 E439 H440	L433-G437 CarbonylContact O-C 3.34Å; L433-G437 WeakPolarHBondContact O-CA 3.29Å; L433-G437 PolarHBondContact O-N 3.43Å; L433-G437 VanDerWaalsContact O-N 3.15Å; G437-E439 VanDerWaalsContact C-N 3.29Å; G437-E439 VanDerWaalsContact CA-OE2 3.24Å; G437-E439 WeakPolarHBondContact CA-OE2 3.39Å; G437-E439 PolarHBondContact O-N 2.89Å; G437-H440 PolarHBondContact O-N 3.29Å
438	Y	96.4	Very high	97.7	Very high	163 Å²	163	51 Å²	51	64%	0.639	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.1	-174.9	-160.1	-99.4	0	0	0	112.9	L433 H440 I441	L433-Y438 HydrophobicContact CB-CD2 4.43Å; L433-Y438 HydrophobicContact CD1-CD2 4.37Å; L433-Y438 HydrophobicContact CD1-CE2 4.24Å; Y438-H440 PolarHBondContact O-N 3.49Å; Y438-H440 VanDerWaalsContact O-N 3.14Å; Y438-I441 HydrophobicContact CD1-CG2 4.39Å; Y438-I441 HydrophobicContact CE1-CD1 4.01Å; Y438-I441 HydrophobicContact CE1-CG2 4.31Å; Y438-I441 HydrophobicContact CE2-CD1 4.47Å; Y438-I441 WeakPolarHBondContact O-CB 3.27Å; Y438-I441 WeakPolarHBondContact O-CG2 3.36Å; Y438-I441 PolarHBondContact O-N 3.2Å
439	E	94.4	Very high	97.7	Very high	113 Å²	113	56.7 Å²	56.7	53%	0.528	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.3	172	63.6	-88.7	-148.3	0	0	112.4	G437 I441 L442	G437-E439 VanDerWaalsContact C-N 3.29Å; G437-E439 VanDerWaalsContact CA-OE2 3.24Å; G437-E439 WeakPolarHBondContact CA-OE2 3.39Å; G437-E439 PolarHBondContact O-N 2.89Å; E439-I441 PolarHBondContact O-N 2.92Å; E439-I441 VanDerWaalsContact O-N 3.13Å; E439-L442 PolarHBondContact O-N 3.32Å
440	H	96.6	Very high	97.6	Very high	30 Å²	30	55 Å²	55	14%	0.139	26%	0.261	C	S	.	.	H	α-helix	trans	-72.8	0.3	177.6	-66.1	-55.2	0	0	0	113.9	L403 L433 Y436 G437 Y438 L442 T443 L444 M592	L403-H440 VanDerWaalsContact CD2-CE1 3.44Å; L403-H440 WeakPolarHBondContact CD2-CE1 3.28Å; L403-H440 WeakPolarHBondContact CD2-NE2 3.31Å; L433-H440 HydrophobicContact CD2-CB 4.29Å; Y436-H440 PolarHBondContact O-CD2 2.87Å; G437-H440 PolarHBondContact O-N 3.29Å; Y438-H440 PolarHBondContact O-N 3.49Å; Y438-H440 VanDerWaalsContact O-N 3.14Å; H440-L442 PolarHBondContact O-N 3.35Å; H440-T443 PolarHBondContact ND1-OG1 2.69Å; H440-T443 WeakPolarHBondContact O-CB 3.18Å; H440-T443 PolarHBondContact O-N 3Å; H440-T443 VanDerWaalsContact O-N 3.13Å; H440-L444 WeakPolarHBondContact O-CG 3.44Å; H440-L444 PolarHBondContact O-N 2.75Å; H440-M592 VanDerWaalsContact CE1-CE 3.45Å; H440-M592 WeakPolarHBondContact CE1-CE 3.47Å
441	I	97.3	Very high	97.5	Very high	69 Å²	69	51 Å²	51	35%	0.354	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-35.4	167.2	-164.2	166.4	0	0	0	111.2	L433 Y438 E439 N445	L433-I441 HydrophobicContact CD2-CB 4.03Å; L433-I441 VanDerWaalsContact CD2-N 3.3Å; Y438-I441 HydrophobicContact CD1-CG2 4.39Å; Y438-I441 HydrophobicContact CE1-CD1 4.01Å; Y438-I441 HydrophobicContact CE1-CG2 4.31Å; Y438-I441 HydrophobicContact CE2-CD1 4.47Å; Y438-I441 WeakPolarHBondContact O-CB 3.27Å; Y438-I441 WeakPolarHBondContact O-CG2 3.36Å; Y438-I441 PolarHBondContact O-N 3.2Å; E439-I441 PolarHBondContact O-N 2.92Å; E439-I441 VanDerWaalsContact O-N 3.13Å; I441-N445 WeakPolarHBondContact O-CB 3.32Å; I441-N445 PolarHBondContact O-N 2.92Å
442	L	96.6	Very high	97.5	Very high	86 Å²	86	48.9 Å²	48.9	45%	0.45	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-41.6	174.5	-61.1	177.7	0	0	0	111.1	E439 H440 N445 N446 D593	E439-L442 PolarHBondContact O-N 3.32Å; H440-L442 PolarHBondContact O-N 3.35Å; L442-N445 PolarHBondContact O-N 3.35Å; L442-N446 WeakPolarHBondContact O-CB 3.19Å; L442-N446 VanDerWaalsContact O-CG 3.22Å; L442-N446 PolarHBondContact O-N 3.02Å; L442-N446 PolarHBondContact O-OD1 3.22Å; L442-D593 VanDerWaalsContact CB-OD2 3.32Å; L442-D593 WeakPolarHBondContact CB-OD2 3.26Å
443	T	97.6	Very high	97.5	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-49	174.9	-58.1	0	0	0	0	111.1	L407 H440 N445 N446 L447 M592	L407-T443 HydrophobicContact CD1-CG2 3.71Å; H440-T443 PolarHBondContact ND1-OG1 2.69Å; H440-T443 WeakPolarHBondContact O-CB 3.18Å; H440-T443 PolarHBondContact O-N 3Å; H440-T443 VanDerWaalsContact O-N 3.13Å; T443-N445 VanDerWaalsContact C-N 3.33Å; T443-N445 PolarHBondContact O-N 3.41Å; T443-N446 PolarHBondContact O-N 2.78Å; T443-L447 HydrophobicContact CG2-CD1 4.37Å; T443-L447 WeakPolarHBondContact O-CG 3.39Å; T443-L447 PolarHBondContact O-N 3.46Å; T443-M592 HydrophobicContact CG2-CG 3.73Å
444	L	98.3	Very high	97.4	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-39.2	179.3	-65.8	169.2	0	0	0	111.8	L407 K429 I432 L433 H440 L447 E448 L453	L407-L444 HydrophobicContact CD2-CD2 4.12Å; K429-L444 HydrophobicContact CB-CD1 4.17Å; K429-L444 HydrophobicContact CG-CD1 4.08Å; I432-L444 HydrophobicContact CD1-CD2 4.21Å; I432-L444 HydrophobicContact CG2-CD1 4.46Å; L433-L444 HydrophobicContact CD1-CD1 4.25Å; L433-L444 HydrophobicContact CD2-CD1 3.92Å; L433-L444 HydrophobicContact CG-CD1 3.9Å; H440-L444 WeakPolarHBondContact O-CG 3.44Å; H440-L444 PolarHBondContact O-N 2.75Å; L444-L447 PolarHBondContact O-N 3.12Å; L444-E448 WeakPolarHBondContact O-CB 3.42Å; L444-E448 PolarHBondContact O-N 3.38Å; L444-L453 HydrophobicContact CD2-CD2 3.77Å
445	N	97.9	Very high	97.2	Very high	67 Å²	67	46.3 Å²	46.3	36%	0.358	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-41.2	174	-177.2	45.9	0	0	0	112.2	I441 L442 T443 E448 K449	I441-N445 WeakPolarHBondContact O-CB 3.32Å; I441-N445 PolarHBondContact O-N 2.92Å; L442-N445 PolarHBondContact O-N 3.35Å; T443-N445 VanDerWaalsContact C-N 3.33Å; T443-N445 PolarHBondContact O-N 3.41Å; N445-E448 PolarHBondContact O-N 3.49Å; N445-K449 WeakPolarHBondContact O-CG 3.3Å; N445-K449 PolarHBondContact O-N 3.39Å
446	N	98.3	Very high	96.9	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-41.2	177	-72.5	-8.2	0	0	0	111.7	L165 L442 T443 E448 K449 A450 L591 D593	L165-N446 HydrophobicContact CD2-CB 3.66Å; L442-N446 WeakPolarHBondContact O-CB 3.19Å; L442-N446 VanDerWaalsContact O-CG 3.22Å; L442-N446 PolarHBondContact O-N 3.02Å; L442-N446 PolarHBondContact O-OD1 3.22Å; T443-N446 PolarHBondContact O-N 2.78Å; N446-E448 VanDerWaalsContact C-N 3.34Å; N446-K449 PolarHBondContact O-N 3.08Å; N446-A450 WeakPolarHBondContact O-CB 3.43Å; N446-A450 PolarHBondContact O-N 2.93Å; N446-L591 WeakPolarHBondContact CB-O 3.5Å; N446-L591 PolarHBondContact ND2-O 3.32Å; N446-D593 PolarHBondContact ND2-OD1 3.39Å
447	L	98.4	Very high	95.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-36.8	173.8	-67	176.5	0	0	0	112.5	L407 T443 L444 A450 G451 L452 L453 L591	L407-L447 HydrophobicContact CB-CD1 4.28Å; L407-L447 HydrophobicContact CD1-CD1 4.22Å; L407-L447 HydrophobicContact CD2-CD1 3.75Å; L407-L447 HydrophobicContact CG-CD1 4.29Å; T443-L447 HydrophobicContact CG2-CD1 4.37Å; T443-L447 WeakPolarHBondContact O-CG 3.39Å; T443-L447 PolarHBondContact O-N 3.46Å; L444-L447 PolarHBondContact O-N 3.12Å; L447-A450 PolarHBondContact O-N 3.39Å; L447-G451 PolarHBondContact O-N 3.44Å; L447-L452 HydrophobicContact CB-CB 4.32Å; L447-L452 HydrophobicContact CD2-CB 4.17Å; L447-L452 HydrophobicContact CD2-CD1 3.64Å; L447-L452 WeakPolarHBondContact O-CB 3.27Å; L447-L452 PolarHBondContact O-N 3.47Å; L447-L453 HydrophobicContact CB-CB 4.01Å; L447-L453 PolarHBondContact O-N 2.87Å; L447-L591 HydrophobicContact CD2-CD1 3.88Å
448	E	97.8	Very high	94.6	Very high	66 Å²	66	51 Å²	51	31%	0.308	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-47.7	175.2	-175.8	166.4	168.6	0	0	111.4	K429 L444 N445 N446 A450 G451 L453 K454 P455	K429-E448 IonicContact NZ-OE2 2.72Å; K429-E448 PolarHBondContact NZ-OE2 3.31Å; L444-E448 WeakPolarHBondContact O-CB 3.42Å; L444-E448 PolarHBondContact O-N 3.38Å; N445-E448 PolarHBondContact O-N 3.49Å; N446-E448 VanDerWaalsContact C-N 3.34Å; E448-A450 VanDerWaalsContact C-N 3.32Å; E448-A450 PolarHBondContact O-N 2.87Å; E448-G451 PolarHBondContact O-N 3.34Å; E448-L453 VanDerWaalsContact CA-O 3.22Å; E448-L453 WeakPolarHBondContact CA-O 3.46Å; E448-L453 WeakPolarHBondContact CB-O 3.41Å; E448-K454 HydrophobicContact CG-CB 4.41Å; E448-P455 WeakPolarHBondContact OE1-CD 3.5Å
449	K	97.4	Very high	93	Very high	120 Å²	120	49.4 Å²	49.4	52%	0.522	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-37.9	174.9	-71.3	174.8	-178.6	178.4	0	112.8	L165 N445 N446 G451	L165-K449 HydrophobicContact CG-CB 4.38Å; N445-K449 WeakPolarHBondContact O-CG 3.3Å; N445-K449 PolarHBondContact O-N 3.39Å; N446-K449 PolarHBondContact O-N 3.08Å; K449-G451 PolarHBondContact O-N 2.94Å
450	A	97.5	Very high	92.3	Very high	9 Å²	9	52.1 Å²	52.1	7%	0.074	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.4	174.7	0	0	0	0	0	113.5	F160 L165 N446 L447 E448 L452 L591	F160-A450 HydrophobicContact CE1-CB 4.14Å; L165-A450 HydrophobicContact CD1-CB 3.95Å; N446-A450 WeakPolarHBondContact O-CB 3.43Å; N446-A450 PolarHBondContact O-N 2.93Å; L447-A450 PolarHBondContact O-N 3.39Å; E448-A450 VanDerWaalsContact C-N 3.32Å; E448-A450 PolarHBondContact O-N 2.87Å; A450-L452 VanDerWaalsContact C-N 3.27Å; A450-L452 HydrophobicContact CB-CB 4.5Å; A450-L452 HydrophobicContact CB-CD1 4.13Å; A450-L452 HydrophobicContact CB-CG 4.17Å; A450-L452 PolarHBondContact O-N 2.77Å; A450-L591 HydrophobicContact CB-CD1 4.17Å
451	G	96.8	Very high	92	Very high	18 Å²	18	52.3 Å²	52.3	19%	0.186	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	9.5	-174.6	0	0	0	0	0	114.5	L447 E448 K449	L447-G451 PolarHBondContact O-N 3.44Å; E448-G451 PolarHBondContact O-N 3.34Å; K449-G451 PolarHBondContact O-N 2.94Å
452	L	98.3	Very high	91.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-80.4	-42.9	-178.4	-78	173.1	0	0	0	112.8	L236 L240 S411 S414 V415 L447 A450 W587 L591	L236-L452 HydrophobicContact CB-CD2 4.12Å; L236-L452 HydrophobicContact CD1-CD2 4.49Å; L236-L452 HydrophobicContact CD2-CD2 4.29Å; L240-L452 HydrophobicContact CD1-CD2 3.94Å; L240-L452 HydrophobicContact CD2-CD2 4.18Å; L240-L452 HydrophobicContact CG-CD2 4.42Å; S411-L452 VanDerWaalsContact CA-O 3.25Å; S411-L452 WeakPolarHBondContact CA-O 3.42Å; S414-L452 VanDerWaalsContact CB-O 3.26Å; S414-L452 WeakPolarHBondContact CB-O 3.43Å; V415-L452 HydrophobicContact CG2-CD2 4.32Å; L447-L452 HydrophobicContact CB-CB 4.32Å; L447-L452 HydrophobicContact CD2-CB 4.17Å; L447-L452 HydrophobicContact CD2-CD1 3.64Å; L447-L452 WeakPolarHBondContact O-CB 3.27Å; L447-L452 PolarHBondContact O-N 3.47Å; A450-L452 VanDerWaalsContact C-N 3.27Å; A450-L452 HydrophobicContact CB-CB 4.5Å; A450-L452 HydrophobicContact CB-CD1 4.13Å; A450-L452 HydrophobicContact CB-CG 4.17Å; A450-L452 PolarHBondContact O-N 2.77Å; L452-W587 HydrophobicContact CD1-CH2 4.11Å; L452-W587 HydrophobicContact CD1-CZ2 4.12Å; L452-W587 HydrophobicContact CD1-CZ3 4.43Å; L452-W587 HydrophobicContact CD2-CH2 3.59Å; L452-W587 HydrophobicContact CD2-CZ2 4.31Å; L452-W587 HydrophobicContact CD2-CZ3 3.93Å; L452-W587 HydrophobicContact CG-CH2 4.26Å; L452-L591 HydrophobicContact CD1-CD1 3.52Å
453	L	98	Very high	91.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-133.2	88.4	179.7	-178.5	62.5	0	0	0	109.8	V410 L420 L425 L444 L447 E448	V410-L453 HydrophobicContact CB-CD1 4.24Å; V410-L453 HydrophobicContact CG2-CD1 4.13Å; V410-L453 HydrophobicContact CG2-CD2 3.98Å; L420-L453 HydrophobicContact CD1-CD1 3.92Å; L425-L453 HydrophobicContact CD1-CD1 3.67Å; L425-L453 HydrophobicContact CD1-CD2 4.36Å; L425-L453 HydrophobicContact CD1-CG 3.76Å; L444-L453 HydrophobicContact CD2-CD2 3.77Å; L447-L453 HydrophobicContact CB-CB 4.01Å; L447-L453 PolarHBondContact O-N 2.87Å; E448-L453 VanDerWaalsContact CA-O 3.22Å; E448-L453 WeakPolarHBondContact CA-O 3.46Å; E448-L453 WeakPolarHBondContact CB-O 3.41Å
454	K	96.4	Very high	91.7	Very high	58 Å²	58	50.6 Å²	50.6	25%	0.252	29%	0.289	S	S	.	.			trans	-124.6	157.6	-170.9	66.6	178.9	-176.4	-179.5	0	113	S414 N418 G419 L420 E448	S414-K454 PolarHBondContact OG-N 3.38Å; S414-K454 PolarHBondContact OG-O 3.03Å; N418-K454 PolarHBondContact OD1-NZ 2.76Å; G419-K454 CarbonylContact C-O 3.52Å; G419-K454 WeakPolarHBondContact CA-O 3.23Å; L420-K454 PolarHBondContact N-O 3.39Å; E448-K454 HydrophobicContact CG-CB 4.41Å
455	P	95.9	Very high	91.7	Very high	54 Å²	54	52.5 Å²	52.5	35%	0.351	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-62.1	146.7	165.1	27.5	-34.7	0	0	0	110.3	L420 L425 E448 A457	L420-P455 WeakPolarHBondContact O-CA 3.3Å; L425-P455 HydrophobicContact CD2-CB 4.09Å; E448-P455 WeakPolarHBondContact OE1-CD 3.5Å; P455-A457 PolarHBondContact O-N 2.93Å; P455-A457 VanDerWaalsContact O-N 3.17Å
456	Q	91.9	Very high	91.7	Very high	65 Å²	65	50 Å²	50	30%	0.304	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-62.9	117.2	175.1	-169.6	170.8	44.7	0	0	110.1	N417 L420	N417-Q456 PolarHBondContact O-NE2 3.06Å; L420-Q456 PolarHBondContact O-N 3.45Å
457	A	74.5	Confident	91.7	Very high	68 Å²	68	52.2 Å²	52.2	56%	0.562	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-101.8	116.6	179.9	0	0	0	0	0	110.2	P455	P455-A457 PolarHBondContact O-N 2.93Å; P455-A457 VanDerWaalsContact O-N 3.17Å
458	G	69.6	Low	91.6	Very high	62 Å²	62	60.5 Å²	60.5	64%	0.639	33%	0.331	S	S	*	.	S	Bend	trans	79.3	174.6	-177.2	0	0	0	0	0	113.8
459	S	62.9	Low	91.6	Very high	130 Å²	130	61 Å²	61	91%	0.909	34%	0.339	S	S	*	.	S	Bend	trans	-88	-12.7	-172.2	60.2	0	0	0	0	115
460	R	81.1	Confident	91.7	Very high	170 Å²	170	55.7 Å²	55.7	64%	0.642	32%	0.316	S	S	*	.			trans	-117.5	119.3	-170.1	-163.2	174.4	-178.4	177.7	-1.6	112.5
461	N	90.1	Very high	91.7	Very high	35 Å²	35	61.8 Å²	61.8	19%	0.187	34%	0.341	C	S	.	.			trans	-77.9	119.8	165.2	-178.9	4.5	0	0	0	109.6	C416 N417 Y463	C416-N461 PolarHBondContact O-ND2 3.37Å; N417-N461 WeakPolarHBondContact CA-ND2 2.89Å; N461-Y463 WeakPolarHBondContact OD1-CB 3.38Å; N461-Y463 PolarHBondContact OD1-N 3.32Å
462	N	93.4	Very high	91.7	Very high	48 Å²	48	61 Å²	61	26%	0.257	33%	0.332	S	S	.	.			trans	-88	-18.9	-179.7	-67.3	-23.2	0	0	0	113.2	T465 I466 M517	N462-T465 WeakPolarHBondContact O-CB 3.37Å; N462-T465 PolarHBondContact O-N 3.4Å; N462-I466 HydrophobicContact CB-CD1 4.25Å; N462-I466 WeakPolarHBondContact O-CG1 3.4Å; N462-I466 PolarHBondContact O-N 3.16Å; N462-I466 VanDerWaalsContact O-N 3.07Å; N462-M517 HydrophobicContact CB-CB 4.46Å; N462-M517 HydrophobicContact CB-SD 4.33Å
463	Y	95.9	Very high	91.7	Very high	22 Å²	22	63.5 Å²	63.5	9%	0.086	34%	0.342	C	S	.	.	H	α-helix	trans	-55.1	-43.9	-175.3	176.6	-110.5	0	0	0	113.6	L237 M381 C416 N461 T465 I466 R467	L237-Y463 HydrophobicContact CD2-CE2 3.69Å; L237-Y463 WeakPolarHBondContact CD2-OH 3.37Å; M381-Y463 WeakPolarHBondContact O-CE1 3.34Å; M381-Y463 PolarHBondContact O-OH 3.15Å; C416-Y463 HydrophobicContact CB-CD1 3.99Å; C416-Y463 HydrophobicContact CB-CE1 4.01Å; C416-Y463 WeakPolarHBondContact O-CB 3.25Å; C416-Y463 WeakPolarHBondContact O-CD1 3.45Å; N461-Y463 WeakPolarHBondContact OD1-CB 3.38Å; N461-Y463 PolarHBondContact OD1-N 3.32Å; Y463-T465 VanDerWaalsContact C-N 3.25Å; Y463-T465 PolarHBondContact O-N 2.94Å; Y463-I466 PolarHBondContact O-N 2.87Å; Y463-R467 HydrophobicContact CE2-CB 4.43Å; Y463-R467 VanDerWaalsContact O-CB 3.3Å; Y463-R467 WeakPolarHBondContact O-CB 3.31Å; Y463-R467 PolarHBondContact O-N 3.03Å
464	P	96.4	Very high	91.6	Very high	53 Å²	53	66.9 Å²	66.9	34%	0.344	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-35.6	176.7	-26	35.3	0	0	0	113.6	K468	P464-K468 WeakPolarHBondContact O-CB 3.3Å; P464-K468 PolarHBondContact O-N 3.13Å; P464-K468 VanDerWaalsContact O-N 3.08Å
465	T	96.9	Very high	91.2	Very high	46 Å²	46	72.1 Å²	72.1	28%	0.282	38%	0.384	S	S	.	.	H	α-helix	trans	-69.9	-45.6	178.1	-56.2	0	0	0	0	110.5	N462 Y463 T469 M517	N462-T465 WeakPolarHBondContact O-CB 3.37Å; N462-T465 PolarHBondContact O-N 3.4Å; Y463-T465 VanDerWaalsContact C-N 3.25Å; Y463-T465 PolarHBondContact O-N 2.94Å; T465-T469 VanDerWaalsContact O-CB 3.28Å; T465-T469 WeakPolarHBondContact O-CB 3.36Å; T465-T469 PolarHBondContact O-N 3.4Å; T465-T469 PolarHBondContact O-OG1 2.9Å; T465-M517 HydrophobicContact CG2-CE 4.18Å; T465-M517 HydrophobicContact CG2-SD 4.21Å
466	I	97.8	Very high	90.7	Very high	13 Å²	13	77 Å²	77	7%	0.067	41%	0.407	C	S	.	.	H	α-helix	trans	-62	-50.7	177.5	-60.8	169	0	0	0	109.8	N462 Y463 K468 T469 L470 L472 L495 V514 M517 L518	N462-I466 HydrophobicContact CB-CD1 4.25Å; N462-I466 WeakPolarHBondContact O-CG1 3.4Å; N462-I466 PolarHBondContact O-N 3.16Å; N462-I466 VanDerWaalsContact O-N 3.07Å; Y463-I466 PolarHBondContact O-N 2.87Å; I466-K468 PolarHBondContact O-N 3.24Å; I466-T469 PolarHBondContact O-N 3.07Å; I466-L470 HydrophobicContact CG2-CD1 3.99Å; I466-L470 WeakPolarHBondContact O-CB 3.43Å; I466-L470 PolarHBondContact O-N 3.03Å; I466-L472 HydrophobicContact CG2-CD1 4.06Å; I466-L495 HydrophobicContact CG2-CD1 4.18Å; I466-V514 HydrophobicContact CG1-CG1 4.24Å; I466-V514 HydrophobicContact CG2-CG1 4.12Å; I466-M517 HydrophobicContact CD1-CB 4.18Å; I466-M517 HydrophobicContact CG1-CB 4.44Å; I466-M517 HydrophobicContact CG1-SD 4.33Å; I466-L518 HydrophobicContact CD1-CD2 3.88Å
467	R	97.9	Very high	90.6	Very high	59 Å²	59	74.9 Å²	74.9	22%	0.223	40%	0.4	C	S	.	.	H	α-helix	trans	-53.7	-49.9	178.8	-174.4	-172.8	74.1	-147.8	14.9	112.1	M381 T382 Y463 K471 L472 W473	M381-R467 WeakPolarHBondContact O-CD 3.41Å; T382-R467 PolarHBondContact O-NH1 3.16Å; T382-R467 PolarHBondContact O-NH2 3.19Å; Y463-R467 HydrophobicContact CE2-CB 4.43Å; Y463-R467 VanDerWaalsContact O-CB 3.3Å; Y463-R467 WeakPolarHBondContact O-CB 3.31Å; Y463-R467 PolarHBondContact O-N 3.03Å; R467-K471 WeakPolarHBondContact O-CA 3.15Å; R467-K471 PolarHBondContact O-N 3.2Å; R467-L472 HydrophobicContact CB-CB 4.47Å; R467-L472 HydrophobicContact CG-CB 4.04Å; R467-L472 PolarHBondContact O-N 3.02Å; R467-W473 HydrophobicContact CG-CB 4.35Å
468	K	97.7	Very high	91.5	Very high	174 Å²	174	74.9 Å²	74.9	76%	0.757	39%	0.391	S	S	*	.	H	α-helix	trans	-68.3	-45.9	-179.3	-174.5	177	179.8	177.3	0	112	P464 I466 L470 K471	P464-K468 WeakPolarHBondContact O-CB 3.3Å; P464-K468 PolarHBondContact O-N 3.13Å; P464-K468 VanDerWaalsContact O-N 3.08Å; I466-K468 PolarHBondContact O-N 3.24Å; K468-L470 PolarHBondContact O-N 3.27Å; K468-K471 PolarHBondContact O-N 2.99Å
469	T	97.9	Very high	92.7	Very high	78 Å²	78	74.1 Å²	74.1	48%	0.479	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-39.5	-175.5	-53.4	0	0	0	0	111.7	T465 I466 V514	T465-T469 VanDerWaalsContact O-CB 3.28Å; T465-T469 WeakPolarHBondContact O-CB 3.36Å; T465-T469 PolarHBondContact O-N 3.4Å; T465-T469 PolarHBondContact O-OG1 2.9Å; I466-T469 PolarHBondContact O-N 3.07Å; T469-V514 HydrophobicContact CG2-CG2 3.61Å
470	L	98	Very high	94.1	Very high	7 Å²	7	72 Å²	72	4%	0.037	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.6	-178.8	-64.6	-175.7	0	0	0	113.7	I466 K468 L472 L495 R498 L499 I511 V514	I466-L470 HydrophobicContact CG2-CD1 3.99Å; I466-L470 WeakPolarHBondContact O-CB 3.43Å; I466-L470 PolarHBondContact O-N 3.03Å; K468-L470 PolarHBondContact O-N 3.27Å; L470-L472 VanDerWaalsContact C-N 3.33Å; L470-L472 HydrophobicContact CB-CD2 3.71Å; L470-L472 HydrophobicContact CB-CG 3.97Å; L470-L472 PolarHBondContact O-N 3.41Å; L470-L495 HydrophobicContact CD1-CD1 3.34Å; L470-R498 HydrophobicContact CB-CG 4.02Å; L470-R498 WeakPolarHBondContact O-CD 3.38Å; L470-R498 WeakPolarHBondContact O-CG 3.45Å; L470-R498 PolarHBondContact O-NE 2.86Å; L470-L499 HydrophobicContact CD1-CD2 4.23Å; L470-I511 HydrophobicContact CD2-CB 4.41Å; L470-I511 HydrophobicContact CD2-CD1 4.07Å; L470-I511 HydrophobicContact CD2-CG2 3.87Å; L470-V514 HydrophobicContact CD1-CG1 3.73Å; L470-V514 HydrophobicContact CD2-CG1 4.49Å; L470-V514 HydrophobicContact CG-CG1 4.05Å
471	K	97.8	Very high	94.8	Very high	138 Å²	138	69.9 Å²	69.9	60%	0.6	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	55.2	-177.9	-56.7	-179.3	-179.5	-178.1	0	111.6	R467 K468 W473 M474 R498	R467-K471 WeakPolarHBondContact O-CA 3.15Å; R467-K471 PolarHBondContact O-N 3.2Å; K468-K471 PolarHBondContact O-N 2.99Å; K471-W473 VanDerWaalsContact C-N 3.26Å; K471-W473 PolarHBondContact O-N 3.44Å; K471-M474 HydrophobicContact CB-SD 4.49Å; K471-R498 PolarHBondContact O-NH2 2.86Å
472	L	98.3	Very high	95.1	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.352	C	S	.	.			trans	-78.9	-9.7	-178.9	-54.6	-177	0	0	0	113	I466 R467 L470 Y492 A493 L495 R498	I466-L472 HydrophobicContact CG2-CD1 4.06Å; R467-L472 HydrophobicContact CB-CB 4.47Å; R467-L472 HydrophobicContact CG-CB 4.04Å; R467-L472 PolarHBondContact O-N 3.02Å; L470-L472 VanDerWaalsContact C-N 3.33Å; L470-L472 HydrophobicContact CB-CD2 3.71Å; L470-L472 HydrophobicContact CB-CG 3.97Å; L470-L472 PolarHBondContact O-N 3.41Å; L472-Y492 HydrophobicContact CB-CD2 4.35Å; L472-Y492 HydrophobicContact CB-CE2 4.06Å; L472-Y492 CarbonylContact O-C 3.18Å; L472-Y492 VanDerWaalsContact O-CA 3.27Å; L472-Y492 WeakPolarHBondContact O-CA 3.36Å; L472-Y492 WeakPolarHBondContact O-CD2 3.29Å; L472-A493 WeakPolarHBondContact CD2-O 3.24Å; L472-A493 PolarHBondContact O-N 3.47Å; L472-L495 HydrophobicContact CD1-CB 4.1Å; L472-L495 HydrophobicContact CD1-CD1 4.2Å; L472-L495 HydrophobicContact CD2-CB 4.31Å; L472-L495 HydrophobicContact CD2-CD1 4.3Å; L472-R498 HydrophobicContact CD2-CB 3.99Å; L472-R498 HydrophobicContact CD2-CG 4.08Å
473	W	97.8	Very high	95.1	Very high	53 Å²	53	73.3 Å²	73.3	20%	0.201	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-129.5	133.8	173.4	-176.5	-92.6	0	0	0	110.5	Q378 M381 T382 R467 K471 G491	Q378-W473 HydrophobicContact CB-CH2 3.71Å; Q378-W473 HydrophobicContact CB-CZ3 4.31Å; Q378-W473 HydrophobicContact CG-CH2 3.67Å; Q378-W473 HydrophobicContact CG-CZ3 4.23Å; M381-W473 HydrophobicContact CB-CE3 3.97Å; M381-W473 HydrophobicContact CB-CZ3 4Å; M381-W473 HydrophobicContact SD-CZ3 4.32Å; T382-W473 HydrophobicContact CG2-CD2 3.33Å; T382-W473 HydrophobicContact CG2-CE3 3.86Å; T382-W473 HydrophobicContact CG2-CG 3.71Å; T382-W473 HydrophobicContact CG2-CH2 4.1Å; T382-W473 HydrophobicContact CG2-CZ2 3.6Å; T382-W473 HydrophobicContact CG2-CZ3 4.22Å; R467-W473 HydrophobicContact CG-CB 4.35Å; K471-W473 VanDerWaalsContact C-N 3.26Å; K471-W473 PolarHBondContact O-N 3.44Å; W473-G491 CarbonylContact C-O 3.14Å; W473-G491 WeakPolarHBondContact CA-O 3.47Å
474	M	95.1	Very high	95.2	Very high	70 Å²	70	73.3 Å²	73.3	35%	0.345	37%	0.37	S	S	.	.			trans	-127.9	119.6	178.9	-62.8	-66.1	-67.9	0	0	108.5	K471 G491	K471-M474 HydrophobicContact CB-SD 4.49Å; M474-G491 PolarHBondContact N-O 3.04Å; M474-G491 VanDerWaalsContact O-CA 3.28Å; M474-G491 WeakPolarHBondContact O-CA 3.44Å
475	E	88.4	Confident	95.2	Very high	169 Å²	169	70.8 Å²	70.8	79%	0.79	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-38.7	-173.7	-67.8	177.9	177	0	0	113.2
476	D	85.2	Confident	95.3	Very high	157 Å²	157	68.7 Å²	68.7	84%	0.84	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	58.3	-176.9	-61.8	-50.1	0	0	0	111.8	N478	D476-N478 PolarHBondContact O-N 3.23Å
477	A	89.9	Confident	95.3	Very high	19 Å²	19	68.6 Å²	68.6	16%	0.157	34%	0.34	C	S	.	.			trans	-64.5	122.6	177.9	0	0	0	0	0	111	E479	A477-E479 PolarHBondContact O-N 3.02Å
478	N	92.8	Very high	95.4	Very high	69 Å²	69	65.8 Å²	65.8	37%	0.369	33%	0.329	S	S	.	.			trans	-78	106	177.7	-171	-22.6	0	0	0	110.7	D476 Q480 N481 P482	D476-N478 PolarHBondContact O-N 3.23Å; N478-Q480 PolarHBondContact OD1-N 3.4Å; N478-Q480 VanDerWaalsContact OD1-N 3.14Å; N478-N481 WeakPolarHBondContact CB-O 3.44Å; N478-N481 PolarHBondContact ND2-O 3.31Å; N478-N481 PolarHBondContact OD1-N 2.96Å; N478-P482 WeakPolarHBondContact O-CA 3.5Å; N478-P482 WeakPolarHBondContact O-CB 3.28Å
479	E	94.8	Very high	95.4	Very high	46 Å²	46	57.7 Å²	57.7	22%	0.215	29%	0.294	C	S	.	.	S	Bend	trans	-80.2	-23.9	-177.1	-61.6	174.1	162.6	0	0	113.7	N303 N305 A477 S490	N303-E479 HydrophobicContact CB-CB 3.98Å; N303-E479 HydrophobicContact CB-CG 4.41Å; N305-E479 WeakPolarHBondContact CB-OE2 3.49Å; N305-E479 PolarHBondContact ND2-OE2 3.49Å; A477-E479 PolarHBondContact O-N 3.02Å; E479-S490 WeakPolarHBondContact OE1-CB 3.18Å; E479-S490 PolarHBondContact OE1-OG 3.38Å
480	Q	93.5	Very high	95.4	Very high	86 Å²	86	55 Å²	55	40%	0.402	28%	0.278	S	S	.	.	S	Bend	trans	-85.1	-43	-176.7	-62.1	-64.2	-34.3	0	0	111.6	N305 N478	N305-Q480 VanDerWaalsContact C-NE2 3.27Å; N305-Q480 PolarHBondContact O-NE2 2.92Å; N478-Q480 PolarHBondContact OD1-N 3.4Å; N478-Q480 VanDerWaalsContact OD1-N 3.14Å
481	N	94.7	Very high	95.4	Very high	124 Å²	124	54.6 Å²	54.6	66%	0.663	28%	0.276	S	S	*	.	S	Bend	trans	-132.1	77.1	179.2	-59.9	-75.5	0	0	0	108.4	N478	N478-N481 WeakPolarHBondContact CB-O 3.44Å; N478-N481 PolarHBondContact ND2-O 3.31Å; N478-N481 PolarHBondContact OD1-N 2.96Å
482	P	96.2	Very high	95.4	Very high	41 Å²	41	48.1 Å²	48.1	27%	0.266	25%	0.248	S	C	.	.			trans	-64.6	141.4	-172.6	26	-34.5	0	0	0	112.5	N478 Y487 F563	N478-P482 WeakPolarHBondContact O-CA 3.5Å; N478-P482 WeakPolarHBondContact O-CB 3.28Å; P482-Y487 HydrophobicContact CB-CD1 3.61Å; P482-Y487 HydrophobicContact CB-CD2 4.05Å; P482-Y487 HydrophobicContact CB-CE1 4.3Å; P482-Y487 HydrophobicContact CB-CG 3.46Å; P482-Y487 VanDerWaalsContact CB-CG 3.46Å; P482-Y487 HydrophobicContact CG-CD1 4.15Å; P482-Y487 HydrophobicContact CG-CD2 4.12Å; P482-Y487 HydrophobicContact CG-CE1 4.41Å; P482-Y487 HydrophobicContact CG-CE2 4.4Å; P482-Y487 HydrophobicContact CG-CG 4Å; P482-F563 HydrophobicContact CB-CE2 3.96Å; P482-F563 HydrophobicContact CB-CZ 4.38Å; P482-F563 HydrophobicContact CG-CD2 4.2Å; P482-F563 HydrophobicContact CG-CE2 3.84Å; P482-F563 WeakPolarHBondContact O-CE2 3.47Å
483	N	94.6	Very high	95.4	Very high	115 Å²	115	48 Å²	48	62%	0.615	25%	0.248	S	C	*	.	S	Bend	trans	-119.7	-5.3	175.7	62.7	-1.3	0	0	0	112.8
484	D	96.8	Very high	95.5	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.118	24%	0.238	C	C	.	.	S	Bend	trans	-145.1	153.4	176.1	-172.6	-103.9	0	0	0	109.7	S486 Y487 R498	D484-S486 PolarHBondContact O-N 3Å; D484-S486 WeakPolarHBondContact OD1-CB 3.02Å; D484-S486 PolarHBondContact OD1-N 2.94Å; D484-S486 PolarHBondContact OD1-OG 2.81Å; D484-Y487 VanDerWaalsContact O-CD1 3.29Å; D484-Y487 WeakPolarHBondContact O-CD1 3.43Å; D484-Y487 PolarHBondContact O-N 3.38Å; D484-R498 IonicContact OD1-CZ 2.94Å; D484-R498 IonicContact OD1-NH1 3.75Å; D484-R498 IonicContact OD1-NH2 3.97Å; D484-R498 PolarHBondContact OD1-NH2 3.27Å; D484-R498 IonicContact OD2-CZ 3.86Å; D484-R498 IonicContact OD2-NH1 3.76Å; D484-R498 PolarHBondContact OD2-NH1 3.03Å; D484-R498 IonicContact OD2-NH2 3.63Å; D484-R498 PolarHBondContact OD2-NH2 3.35Å; D484-R498 VanDerWaalsContact OD2-NH2 3.17Å
485	I	97.8	Very high	95.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.7	-15.7	177.2	54.1	171.1	0	0	0	113.9	Y487 V488 A493 I497 R498 A560 F563 L564	I485-Y487 PolarHBondContact O-N 3.08Å; I485-Y487 VanDerWaalsContact O-N 3.11Å; I485-V488 WeakPolarHBondContact O-CG2 3.12Å; I485-V488 PolarHBondContact O-N 2.74Å; I485-A493 HydrophobicContact CD1-CB 4.06Å; I485-A493 HydrophobicContact CG1-CB 3.85Å; I485-I497 HydrophobicContact CD1-CB 4.02Å; I485-I497 HydrophobicContact CD1-CG2 3.82Å; I485-I497 HydrophobicContact CG2-CG2 4.16Å; I485-R498 HydrophobicContact CD1-CB 4.27Å; I485-A560 HydrophobicContact CB-CB 4.02Å; I485-A560 HydrophobicContact CG2-CB 3.99Å; I485-F563 HydrophobicContact CG2-CD1 3.83Å; I485-F563 HydrophobicContact CG2-CE1 4.4Å; I485-L564 HydrophobicContact CG2-CD1 4.14Å; I485-L564 HydrophobicContact CG2-CD2 3.68Å; I485-L564 HydrophobicContact CG2-CG 3.67Å
486	S	98.3	Very high	96.1	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-60.3	-17	177.3	65.1	0	0	0	0	115.1	D484 V488 Y489 S490 G491 Y492	D484-S486 PolarHBondContact O-N 3Å; D484-S486 WeakPolarHBondContact OD1-CB 3.02Å; D484-S486 PolarHBondContact OD1-N 2.94Å; D484-S486 PolarHBondContact OD1-OG 2.81Å; S486-V488 PolarHBondContact O-N 3.49Å; S486-Y489 CarbonylContact O-C 3.58Å; S486-Y489 PolarHBondContact O-N 2.74Å; S486-S490 PolarHBondContact O-N 3.44Å; S486-S490 VanDerWaalsContact O-N 3.16Å; S486-G491 WeakPolarHBondContact CB-O 3.3Å; S486-G491 PolarHBondContact O-N 2.72Å; S486-Y492 WeakPolarHBondContact CA-O 2.92Å
487	Y	98.5	Very high	96.8	Very high	10 Å²	10	27.3 Å²	27.3	4%	0.039	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-61.8	-24.8	-179.2	85.2	-84.9	0	0	0	113.6	D301 N303 P482 D484 I485 Y489 S490 F563	D301-Y487 WeakPolarHBondContact O-CE2 3.47Å; D301-Y487 PolarHBondContact O-OH 3.48Å; N303-Y487 HydrophobicContact CB-CD2 4.09Å; N303-Y487 PolarHBondContact ND2-O 3.43Å; P482-Y487 HydrophobicContact CB-CD1 3.61Å; P482-Y487 HydrophobicContact CB-CD2 4.05Å; P482-Y487 HydrophobicContact CB-CE1 4.3Å; P482-Y487 HydrophobicContact CB-CG 3.46Å; P482-Y487 VanDerWaalsContact CB-CG 3.46Å; P482-Y487 HydrophobicContact CG-CD1 4.15Å; P482-Y487 HydrophobicContact CG-CD2 4.12Å; P482-Y487 HydrophobicContact CG-CE1 4.41Å; P482-Y487 HydrophobicContact CG-CE2 4.4Å; P482-Y487 HydrophobicContact CG-CG 4Å; D484-Y487 VanDerWaalsContact O-CD1 3.29Å; D484-Y487 WeakPolarHBondContact O-CD1 3.43Å; D484-Y487 PolarHBondContact O-N 3.38Å; I485-Y487 PolarHBondContact O-N 3.08Å; I485-Y487 VanDerWaalsContact O-N 3.11Å; Y487-Y489 PolarHBondContact O-N 3.37Å; Y487-S490 PolarHBondContact O-N 2.79Å; Y487-F563 HydrophobicContact CE1-CB 3.85Å; Y487-F563 HydrophobicContact CE1-CD1 4.32Å; Y487-F563 AromaticContact CE1-CD2 3.95Å; Y487-F563 HydrophobicContact CE1-CD2 3.95Å; Y487-F563 AromaticContact CE1-CG 3.77Å; Y487-F563 HydrophobicContact CE1-CG 3.77Å
488	V	98.6	Very high	97.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-72.1	-16.8	-177.9	-55.7	0	0	0	0	113.3	L244 T245 I485 S486 P494 A556 A559 A560	L244-V488 PolarHBondContact N-O 2.92Å; T245-V488 HydrophobicContact CG2-CB 3.72Å; T245-V488 HydrophobicContact CG2-CG1 3.79Å; I485-V488 WeakPolarHBondContact O-CG2 3.12Å; I485-V488 PolarHBondContact O-N 2.74Å; S486-V488 PolarHBondContact O-N 3.49Å; V488-P494 HydrophobicContact CG2-CG 4.02Å; V488-A556 HydrophobicContact CB-CB 4.14Å; V488-A556 HydrophobicContact CG2-CB 4.16Å; V488-A559 HydrophobicContact CG1-CB 4.17Å; V488-A560 HydrophobicContact CG1-CB 4.12Å; V488-A560 HydrophobicContact CG2-CB 4.3Å
489	Y	98.4	Very high	97.5	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.016	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-129.9	25.6	172.3	-66.4	-83.8	0	0	0	112	T238 A241 T242 Q243 S486 Y487 G491 Y492 P494 A556	T238-Y489 HydrophobicContact CG2-CE2 3.93Å; T238-Y489 WeakPolarHBondContact CG2-OH 3.42Å; T238-Y489 PolarHBondContact O-OH 3.27Å; T238-Y489 VanDerWaalsContact O-OH 3.04Å; A241-Y489 HydrophobicContact CB-CD1 3.87Å; A241-Y489 HydrophobicContact CB-CE1 3.68Å; T242-Y489 VanDerWaalsContact O-CD1 3.3Å; T242-Y489 WeakPolarHBondContact O-CD1 3.31Å; Q243-Y489 HydrophobicContact CB-CE1 4.43Å; Q243-Y489 HydrophobicContact CG-CE1 4.08Å; S486-Y489 CarbonylContact O-C 3.58Å; S486-Y489 PolarHBondContact O-N 2.74Å; Y487-Y489 PolarHBondContact O-N 3.37Å; Y489-G491 PolarHBondContact O-N 3.29Å; Y489-Y492 AromaticContact CD2-CD1 3.95Å; Y489-Y492 HydrophobicContact CD2-CD1 3.95Å; Y489-Y492 HydrophobicContact CG-CD1 4.15Å; Y489-P494 HydrophobicContact CD2-CG 3.81Å; Y489-P494 HydrophobicContact CE2-CG 3.6Å; Y489-A556 HydrophobicContact CD2-CB 4.45Å; Y489-A556 HydrophobicContact CE1-CB 4.4Å; Y489-A556 HydrophobicContact CE2-CB 3.58Å
490	S	97.6	Very high	97.6	Very high	21 Å²	21	21.7 Å²	21.7	15%	0.147	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	37.6	176.5	-63.4	0	0	0	0	114.6	L244 N303 E479 S486 Y487	L244-S490 WeakPolarHBondContact CD1-OG 3.33Å; N303-S490 PolarHBondContact ND2-OG 2.71Å; E479-S490 WeakPolarHBondContact OE1-CB 3.18Å; E479-S490 PolarHBondContact OE1-OG 3.38Å; S486-S490 PolarHBondContact O-N 3.44Å; S486-S490 VanDerWaalsContact O-N 3.16Å; Y487-S490 PolarHBondContact O-N 2.79Å
491	G	97.6	Very high	97.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	145.5	-38.7	178.8	0	0	0	0	0	113.3	W473 M474 S486 Y489	W473-G491 CarbonylContact C-O 3.14Å; W473-G491 WeakPolarHBondContact CA-O 3.47Å; M474-G491 PolarHBondContact N-O 3.04Å; M474-G491 VanDerWaalsContact O-CA 3.28Å; M474-G491 WeakPolarHBondContact O-CA 3.44Å; S486-G491 WeakPolarHBondContact CB-O 3.3Å; S486-G491 PolarHBondContact O-N 2.72Å; Y489-G491 PolarHBondContact O-N 3.29Å
492	Y	98.6	Very high	97.9	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-83.9	124.1	177.3	175.1	-104.8	0	0	0	112.6	L237 T238 M381 L472 S486 Y489 P494 L495	L237-Y492 HydrophobicContact CD2-CE2 3.78Å; T238-Y492 WeakPolarHBondContact OG1-CE1 3.34Å; T238-Y492 PolarHBondContact OG1-OH 2.97Å; M381-Y492 HydrophobicContact CG-CD2 4.45Å; M381-Y492 WeakPolarHBondContact SD-CB 3.46Å; M381-Y492 HydrophobicContact SD-CD1 3.99Å; M381-Y492 HydrophobicContact SD-CD2 3.92Å; M381-Y492 HydrophobicContact SD-CG 3.47Å; L472-Y492 HydrophobicContact CB-CD2 4.35Å; L472-Y492 HydrophobicContact CB-CE2 4.06Å; L472-Y492 CarbonylContact O-C 3.18Å; L472-Y492 VanDerWaalsContact O-CA 3.27Å; L472-Y492 WeakPolarHBondContact O-CA 3.36Å; L472-Y492 WeakPolarHBondContact O-CD2 3.29Å; S486-Y492 WeakPolarHBondContact CA-O 2.92Å; Y489-Y492 AromaticContact CD2-CD1 3.95Å; Y489-Y492 HydrophobicContact CD2-CD1 3.95Å; Y489-Y492 HydrophobicContact CG-CD1 4.15Å; Y492-P494 HydrophobicContact CE1-CG 4.49Å; Y492-L495 PolarHBondContact OH-N 3.47Å
493	A	98.8	Very high	97.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-91.9	118.9	170.6	0	0	0	0	0	109.7	L472 I485 L495	L472-A493 WeakPolarHBondContact CD2-O 3.24Å; L472-A493 PolarHBondContact O-N 3.47Å; I485-A493 HydrophobicContact CD1-CB 4.06Å; I485-A493 HydrophobicContact CG1-CB 3.85Å; A493-L495 PolarHBondContact O-N 3.24Å
494	P	98.8	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-51.4	125.5	178.2	-33.2	40.6	0	0	0	112.5	T238 V488 Y489 Y492 S496 I497 R498 E557	T238-P494 HydrophobicContact CG2-CB 3.85Å; T238-P494 HydrophobicContact CG2-CG 4.05Å; T238-P494 WeakPolarHBondContact OG1-CA 3.3Å; V488-P494 HydrophobicContact CG2-CG 4.02Å; Y489-P494 HydrophobicContact CD2-CG 3.81Å; Y489-P494 HydrophobicContact CE2-CG 3.6Å; Y492-P494 HydrophobicContact CE1-CG 4.49Å; P494-S496 VanDerWaalsContact C-N 3.27Å; P494-S496 PolarHBondContact O-N 3.47Å; P494-I497 HydrophobicContact CB-CB 4.13Å; P494-I497 HydrophobicContact CB-CG1 3.86Å; P494-I497 HydrophobicContact CG-CG1 4.49Å; P494-I497 PolarHBondContact O-N 2.85Å; P494-I497 VanDerWaalsContact O-N 3.15Å; P494-R498 WeakPolarHBondContact O-CB 3.49Å; P494-R498 PolarHBondContact O-N 3.49Å; P494-E557 HydrophobicContact CB-CG 4.26Å
495	L	98.9	Very high	97.5	Very high	12 Å²	12	15.9 Å²	15.9	6%	0.063	8%	0.077	C	C	.	.	H	α-helix	trans	-58.9	-43	-178.9	166.7	64	0	0	0	110.7	V234 D235 I466 L470 L472 Y492 A493 I497 R498 L499 L518	V234-L495 WeakPolarHBondContact O-CD2 3.48Å; D235-L495 HydrophobicContact CB-CB 4.09Å; D235-L495 HydrophobicContact CB-CD2 4.11Å; D235-L495 HydrophobicContact CB-CG 4.19Å; D235-L495 PolarHBondContact OD2-N 3.25Å; I466-L495 HydrophobicContact CG2-CD1 4.18Å; L470-L495 HydrophobicContact CD1-CD1 3.34Å; L472-L495 HydrophobicContact CD1-CB 4.1Å; L472-L495 HydrophobicContact CD1-CD1 4.2Å; L472-L495 HydrophobicContact CD2-CB 4.31Å; L472-L495 HydrophobicContact CD2-CD1 4.3Å; Y492-L495 PolarHBondContact OH-N 3.47Å; A493-L495 PolarHBondContact O-N 3.24Å; L495-I497 VanDerWaalsContact C-N 3.3Å; L495-I497 PolarHBondContact O-N 3.44Å; L495-R498 PolarHBondContact O-N 3.18Å; L495-L499 HydrophobicContact CD1-CD1 4.23Å; L495-L499 HydrophobicContact CD1-CD2 4.31Å; L495-L499 HydrophobicContact CD1-CG 3.96Å; L495-L499 HydrophobicContact CG-CD1 4.29Å; L495-L499 HydrophobicContact CG-CG 4.44Å; L495-L499 VanDerWaalsContact O-CG 3.3Å; L495-L499 WeakPolarHBondContact O-CG 3.25Å; L495-L499 PolarHBondContact O-N 2.65Å; L495-L518 HydrophobicContact CD1-CD1 4.41Å; L495-L518 HydrophobicContact CD2-CD1 4.42Å; L495-L518 HydrophobicContact CD2-CD2 3.76Å
496	S	98.8	Very high	97.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-53.6	-44.2	176.3	61.9	0	0	0	0	113.2	D235 P494 T500 E557	D235-S496 WeakPolarHBondContact OD2-CB 3.33Å; D235-S496 PolarHBondContact OD2-N 3.44Å; D235-S496 PolarHBondContact OD2-OG 2.92Å; P494-S496 VanDerWaalsContact C-N 3.27Å; P494-S496 PolarHBondContact O-N 3.47Å; S496-T500 PolarHBondContact O-N 2.9Å; S496-T500 PolarHBondContact O-OG1 3.5Å; S496-E557 WeakPolarHBondContact CB-OE1 3.49Å; S496-E557 PolarHBondContact OG-OE1 3.42Å
497	I	98.7	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-78.3	-35.3	-178.9	-53.1	-43.5	0	0	0	110.9	I485 P494 L495 L499 T500 Q501 F549 E557 A560 L561 L564	I485-I497 HydrophobicContact CD1-CB 4.02Å; I485-I497 HydrophobicContact CD1-CG2 3.82Å; I485-I497 HydrophobicContact CG2-CG2 4.16Å; P494-I497 HydrophobicContact CB-CB 4.13Å; P494-I497 HydrophobicContact CB-CG1 3.86Å; P494-I497 HydrophobicContact CG-CG1 4.49Å; P494-I497 PolarHBondContact O-N 2.85Å; P494-I497 VanDerWaalsContact O-N 3.15Å; L495-I497 VanDerWaalsContact C-N 3.3Å; L495-I497 PolarHBondContact O-N 3.44Å; I497-L499 VanDerWaalsContact C-N 3.33Å; I497-L499 PolarHBondContact O-N 3.05Å; I497-T500 WeakPolarHBondContact O-CB 3.36Å; I497-T500 PolarHBondContact O-N 2.91Å; I497-T500 VanDerWaalsContact O-N 3.14Å; I497-Q501 PolarHBondContact O-N 3.31Å; I497-F549 HydrophobicContact CD1-CE1 4.36Å; I497-F549 HydrophobicContact CD1-CZ 3.7Å; I497-E557 HydrophobicContact CD1-CB 4.01Å; I497-E557 HydrophobicContact CD1-CG 4.34Å; I497-E557 HydrophobicContact CG1-CB 4.15Å; I497-E557 HydrophobicContact CG1-CG 4.2Å; I497-A560 HydrophobicContact CB-CB 4.39Å; I497-A560 HydrophobicContact CG1-CB 4.11Å; I497-A560 HydrophobicContact CG2-CB 3.92Å; I497-L561 HydrophobicContact CD1-CD1 3.8Å; I497-L561 HydrophobicContact CD1-CD2 3.97Å; I497-L561 HydrophobicContact CD1-CG 3.59Å; I497-L561 HydrophobicContact CG1-CG 4.47Å; I497-L561 HydrophobicContact CG2-CD2 4.16Å; I497-L561 HydrophobicContact CG2-CG 4.37Å; I497-L564 HydrophobicContact CG2-CD1 3.67Å
498	R	98.4	Very high	97	Very high	15 Å²	15	22.2 Å²	22.2	6%	0.057	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-39.7	173.2	-171.6	67.9	79	-159.2	0	111.6	L470 K471 L472 D484 I485 P494 L495 T500 Q501 V502	L470-R498 HydrophobicContact CB-CG 4.02Å; L470-R498 WeakPolarHBondContact O-CD 3.38Å; L470-R498 WeakPolarHBondContact O-CG 3.45Å; L470-R498 PolarHBondContact O-NE 2.86Å; K471-R498 PolarHBondContact O-NH2 2.86Å; L472-R498 HydrophobicContact CD2-CB 3.99Å; L472-R498 HydrophobicContact CD2-CG 4.08Å; D484-R498 IonicContact OD1-CZ 2.94Å; D484-R498 IonicContact OD1-NH1 3.75Å; D484-R498 IonicContact OD1-NH2 3.97Å; D484-R498 PolarHBondContact OD1-NH2 3.27Å; D484-R498 IonicContact OD2-CZ 3.86Å; D484-R498 IonicContact OD2-NH1 3.76Å; D484-R498 PolarHBondContact OD2-NH1 3.03Å; D484-R498 IonicContact OD2-NH2 3.63Å; D484-R498 PolarHBondContact OD2-NH2 3.35Å; D484-R498 VanDerWaalsContact OD2-NH2 3.17Å; I485-R498 HydrophobicContact CD1-CB 4.27Å; P494-R498 WeakPolarHBondContact O-CB 3.49Å; P494-R498 PolarHBondContact O-N 3.49Å; L495-R498 PolarHBondContact O-N 3.18Å; R498-T500 VanDerWaalsContact C-N 3.3Å; R498-T500 PolarHBondContact O-N 3.44Å; R498-Q501 PolarHBondContact O-N 2.73Å; R498-V502 VanDerWaalsContact O-CG2 3.3Å; R498-V502 WeakPolarHBondContact O-CG2 3.39Å; R498-V502 PolarHBondContact O-N 3.38Å
499	L	98.6	Very high	96.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-40.2	172.6	-69.6	175.9	0	0	0	111.6	L230 V234 L470 L495 I497 L503 W508 I511 L515 L518	L230-L499 HydrophobicContact CD1-CD1 4.33Å; V234-L499 HydrophobicContact CG1-CD1 3.71Å; L470-L499 HydrophobicContact CD1-CD2 4.23Å; L495-L499 HydrophobicContact CD1-CD1 4.23Å; L495-L499 HydrophobicContact CD1-CD2 4.31Å; L495-L499 HydrophobicContact CD1-CG 3.96Å; L495-L499 HydrophobicContact CG-CD1 4.29Å; L495-L499 HydrophobicContact CG-CG 4.44Å; L495-L499 VanDerWaalsContact O-CG 3.3Å; L495-L499 WeakPolarHBondContact O-CG 3.25Å; L495-L499 PolarHBondContact O-N 2.65Å; I497-L499 VanDerWaalsContact C-N 3.33Å; I497-L499 PolarHBondContact O-N 3.05Å; L499-L503 WeakPolarHBondContact O-CB 3.37Å; L499-L503 PolarHBondContact O-N 3.45Å; L499-W508 PolarHBondContact O-NE1 3.13Å; L499-I511 HydrophobicContact CD2-CD1 3.85Å; L499-L515 HydrophobicContact CD2-CD2 3.91Å; L499-L518 HydrophobicContact CD1-CD1 3.95Å; L499-L518 HydrophobicContact CD2-CD1 4.12Å
500	T	97.9	Very high	96.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-46.1	175.4	-56.7	0	0	0	0	111.4	L228 S496 I497 R498 V502 L503 A504 V547 L561 Y574	L228-T500 HydrophobicContact CD2-CG2 3.86Å; L228-T500 WeakPolarHBondContact CD2-OG1 3.16Å; S496-T500 PolarHBondContact O-N 2.9Å; S496-T500 PolarHBondContact O-OG1 3.5Å; I497-T500 WeakPolarHBondContact O-CB 3.36Å; I497-T500 PolarHBondContact O-N 2.91Å; I497-T500 VanDerWaalsContact O-N 3.14Å; R498-T500 VanDerWaalsContact C-N 3.3Å; R498-T500 PolarHBondContact O-N 3.44Å; T500-V502 PolarHBondContact O-N 3.12Å; T500-L503 WeakPolarHBondContact O-CB 3.43Å; T500-L503 PolarHBondContact O-N 3.33Å; T500-A504 PolarHBondContact O-N 3.4Å; T500-A504 VanDerWaalsContact O-N 3.12Å; T500-V547 HydrophobicContact CG2-CG2 3.99Å; T500-L561 HydrophobicContact CG2-CD2 3.82Å; T500-Y574 HydrophobicContact CG2-CD1 4.1Å; T500-Y574 HydrophobicContact CG2-CE1 3.46Å; T500-Y574 VanDerWaalsContact CG2-CE1 3.46Å
501	Q	96.6	Very high	96.8	Very high	49 Å²	49	35.8 Å²	35.8	23%	0.229	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-46.2	177.4	-169.4	-171.8	30.4	0	0	111.7	I497 R498 L503 A504 R505 L564	I497-Q501 PolarHBondContact O-N 3.31Å; R498-Q501 PolarHBondContact O-N 2.73Å; Q501-L503 VanDerWaalsContact C-N 3.33Å; Q501-L503 PolarHBondContact O-N 3.19Å; Q501-A504 WeakPolarHBondContact O-CB 3.46Å; Q501-A504 PolarHBondContact O-N 3.2Å; Q501-R505 PolarHBondContact O-N 3.37Å; Q501-R505 VanDerWaalsContact O-O 3.09Å; Q501-L564 HydrophobicContact CB-CD1 3.89Å; Q501-L564 HydrophobicContact CG-CD1 4.2Å; Q501-L564 HydrophobicContact CG-CD2 4Å
502	V	96.6	Very high	96.8	Very high	18 Å²	18	39.9 Å²	39.9	11%	0.109	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-35	178.6	175.6	0	0	0	0	111.4	R498 T500 A504 R505 G507 I511	R498-V502 VanDerWaalsContact O-CG2 3.3Å; R498-V502 WeakPolarHBondContact O-CG2 3.39Å; R498-V502 PolarHBondContact O-N 3.38Å; T500-V502 PolarHBondContact O-N 3.12Å; V502-A504 VanDerWaalsContact C-N 3.31Å; V502-A504 PolarHBondContact O-N 3.08Å; V502-R505 WeakPolarHBondContact CA-O 3.34Å; V502-R505 CarbonylContact O-C 3.55Å; V502-R505 VanDerWaalsContact O-C 3.26Å; V502-R505 PolarHBondContact O-N 3.29Å; V502-G507 CarbonylContact O-C 3.53Å; V502-G507 WeakPolarHBondContact O-CA 3.32Å; V502-G507 PolarHBondContact O-N 2.7Å; V502-I511 HydrophobicContact CB-CD1 4.1Å; V502-I511 HydrophobicContact CG1-CD1 3.6Å; V502-I511 HydrophobicContact CG1-CG1 3.74Å; V502-I511 HydrophobicContact CG1-CG2 4.02Å
503	L	96.3	Very high	96.7	Very high	26 Å²	26	45.5 Å²	45.5	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-45.9	172.9	178.9	61.8	0	0	0	111.1	F193 L228 L499 T500 Q501 W508	F193-L503 HydrophobicContact CB-CD1 4.4Å; F193-L503 HydrophobicContact CB-CD2 3.89Å; F193-L503 HydrophobicContact CD1-CD1 3.73Å; F193-L503 HydrophobicContact CD2-CD1 4.32Å; F193-L503 HydrophobicContact CD2-CD2 4.09Å; F193-L503 HydrophobicContact CE1-CD1 4.01Å; F193-L503 HydrophobicContact CG-CD1 3.89Å; F193-L503 HydrophobicContact CG-CD2 3.95Å; F193-L503 HydrophobicContact CZ-CD1 4.44Å; L228-L503 HydrophobicContact CB-CD2 4.29Å; L228-L503 HydrophobicContact CD1-CD2 3.91Å; L228-L503 HydrophobicContact CD2-CD2 3.93Å; L228-L503 HydrophobicContact CG-CD2 4.26Å; L499-L503 WeakPolarHBondContact O-CB 3.37Å; L499-L503 PolarHBondContact O-N 3.45Å; T500-L503 WeakPolarHBondContact O-CB 3.43Å; T500-L503 PolarHBondContact O-N 3.33Å; Q501-L503 VanDerWaalsContact C-N 3.33Å; Q501-L503 PolarHBondContact O-N 3.19Å; L503-W508 HydrophobicContact CB-CD2 4.42Å; L503-W508 HydrophobicContact CB-CG 4.42Å; L503-W508 HydrophobicContact CB-CZ2 4.35Å; L503-W508 HydrophobicContact CD1-CD2 3.84Å; L503-W508 HydrophobicContact CD1-CE3 4.19Å; L503-W508 HydrophobicContact CD1-CG 4Å; L503-W508 HydrophobicContact CD2-CZ2 4.28Å
504	A	92.8	Very high	96.6	Very high	27 Å²	27	45.8 Å²	45.8	22%	0.223	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-50.2	179	0	0	0	0	0	111.3	T500 Q501 V502 M572 Y574	T500-A504 PolarHBondContact O-N 3.4Å; T500-A504 VanDerWaalsContact O-N 3.12Å; Q501-A504 WeakPolarHBondContact O-CB 3.46Å; Q501-A504 PolarHBondContact O-N 3.2Å; V502-A504 VanDerWaalsContact C-N 3.31Å; V502-A504 PolarHBondContact O-N 3.08Å; A504-M572 HydrophobicContact CB-CE 3.96Å; A504-M572 HydrophobicContact CB-CG 3.83Å; A504-M572 HydrophobicContact CB-SD 4.5Å; A504-Y574 WeakPolarHBondContact CB-OH 3.38Å
505	R	90.4	Very high	96.6	Very high	146 Å²	146	45.8 Å²	45.8	55%	0.551	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-153.6	133.1	174.7	-61.4	-173.2	-171.6	172.4	12.3	111	Q501 V502 D569 S570	Q501-R505 PolarHBondContact O-N 3.37Å; Q501-R505 VanDerWaalsContact O-O 3.09Å; V502-R505 WeakPolarHBondContact CA-O 3.34Å; V502-R505 CarbonylContact O-C 3.55Å; V502-R505 VanDerWaalsContact O-C 3.26Å; V502-R505 PolarHBondContact O-N 3.29Å; R505-D569 PolarHBondContact NH1-O 3.12Å; R505-D569 PolarHBondContact NH2-O 2.87Å; R505-D569 VanDerWaalsContact NH2-O 3.17Å; R505-S570 PolarHBondContact NH2-O 3.33Å; R505-S570 VanDerWaalsContact NH2-O 3.08Å
506	P	93.4	Very high	96.4	Very high	110 Å²	110	50.8 Å²	50.8	71%	0.714	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86	0.6	2	36.1	-38.6	0	0	0	114.7	S510	P506-S510 WeakPolarHBondContact CG-OG 3.37Å
507	G	94.6	Very high	96.3	Very high	17 Å²	17	53.9 Å²	53.9	18%	0.175	26%	0.263	C	S	.	.			trans	110.6	149.5	-175.7	0	0	0	0	0	112.4	V502 R509 S510	V502-G507 CarbonylContact O-C 3.53Å; V502-G507 WeakPolarHBondContact O-CA 3.32Å; V502-G507 PolarHBondContact O-N 2.7Å; G507-R509 PolarHBondContact O-N 3.47Å; G507-S510 PolarHBondContact O-N 3.43Å; G507-S510 PolarHBondContact O-OG 3.35Å
508	W	97.3	Very high	96.2	Very high	18 Å²	18	54.6 Å²	54.6	7%	0.068	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-58.8	-19.8	-175.3	-82.8	-3.8	0	0	0	116.3	F193 G194 K195 L228 L499 L503 S510 I511 E512 L515 H522	F193-W508 HydrophobicContact CB-CH2 4.4Å; F193-W508 HydrophobicContact CB-CZ3 4.19Å; G194-W508 WeakPolarHBondContact O-CZ3 3.45Å; K195-W508 HydrophobicContact CB-CH2 3.81Å; K195-W508 HydrophobicContact CB-CZ2 4.39Å; K195-W508 HydrophobicContact CB-CZ3 4.37Å; L228-W508 HydrophobicContact CD1-CH2 3.48Å; L228-W508 VanDerWaalsContact CD1-CH2 3.48Å; L228-W508 HydrophobicContact CD1-CZ2 3.74Å; L499-W508 PolarHBondContact O-NE1 3.13Å; L503-W508 HydrophobicContact CB-CD2 4.42Å; L503-W508 HydrophobicContact CB-CG 4.42Å; L503-W508 HydrophobicContact CB-CZ2 4.35Å; L503-W508 HydrophobicContact CD1-CD2 3.84Å; L503-W508 HydrophobicContact CD1-CE3 4.19Å; L503-W508 HydrophobicContact CD1-CG 4Å; L503-W508 HydrophobicContact CD2-CZ2 4.28Å; W508-S510 PolarHBondContact O-N 2.81Å; W508-S510 VanDerWaalsContact O-N 3.16Å; W508-I511 CarbonylContact O-C 3.58Å; W508-I511 WeakPolarHBondContact O-CG1 3.3Å; W508-I511 PolarHBondContact O-N 2.87Å; W508-E512 PolarHBondContact O-N 3.5Å; W508-L515 HydrophobicContact CB-CD1 3.69Å; W508-L515 HydrophobicContact CD2-CD1 4.14Å; W508-L515 HydrophobicContact CE3-CD1 4.46Å; W508-L515 HydrophobicContact CG-CD1 3.83Å; W508-H522 HydrophobicContact CE3-CB 4.32Å; W508-H522 HydrophobicContact CZ3-CB 4.27Å
509	R	95.9	Very high	96.1	Very high	224 Å²	224	56.5 Å²	56.5	85%	0.845	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-58	-26.5	172.6	-65.9	-175.5	-175.4	177.1	1.1	112.6	G507 I511	G507-R509 PolarHBondContact O-N 3.47Å; R509-I511 VanDerWaalsContact C-N 3.25Å; R509-I511 PolarHBondContact O-N 3.14Å
510	S	96.9	Very high	96.1	Very high	71 Å²	71	57.9 Å²	57.9	50%	0.497	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-75.6	-11.6	178.3	73.4	0	0	0	0	114.1	P506 G507 W508	P506-S510 WeakPolarHBondContact CG-OG 3.37Å; G507-S510 PolarHBondContact O-N 3.43Å; G507-S510 PolarHBondContact O-OG 3.35Å; W508-S510 PolarHBondContact O-N 2.81Å; W508-S510 VanDerWaalsContact O-N 3.16Å
511	I	97.6	Very high	96.1	Very high	15 Å²	15	60.1 Å²	60.1	8%	0.077	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-131.8	26.5	-175.5	59.5	160.1	0	0	0	112.4	L470 L499 V502 W508 R509 E513 V514 L515	L470-I511 HydrophobicContact CD2-CB 4.41Å; L470-I511 HydrophobicContact CD2-CD1 4.07Å; L470-I511 HydrophobicContact CD2-CG2 3.87Å; L499-I511 HydrophobicContact CD2-CD1 3.85Å; V502-I511 HydrophobicContact CB-CD1 4.1Å; V502-I511 HydrophobicContact CG1-CD1 3.6Å; V502-I511 HydrophobicContact CG1-CG1 3.74Å; V502-I511 HydrophobicContact CG1-CG2 4.02Å; W508-I511 CarbonylContact O-C 3.58Å; W508-I511 WeakPolarHBondContact O-CG1 3.3Å; W508-I511 PolarHBondContact O-N 2.87Å; R509-I511 VanDerWaalsContact C-N 3.25Å; R509-I511 PolarHBondContact O-N 3.14Å; I511-E513 VanDerWaalsContact C-N 3.28Å; I511-E513 PolarHBondContact O-N 2.98Å; I511-V514 HydrophobicContact CB-CB 4.42Å; I511-V514 WeakPolarHBondContact O-CB 2.91Å; I511-V514 PolarHBondContact O-N 2.79Å; I511-L515 HydrophobicContact CD1-CD1 4.45Å; I511-L515 HydrophobicContact CD1-CD2 4.28Å; I511-L515 HydrophobicContact CD1-CG 4.17Å; I511-L515 HydrophobicContact CG1-CD1 4.16Å; I511-L515 HydrophobicContact CG1-CG 4.19Å; I511-L515 PolarHBondContact O-N 2.7Å
512	E	96.3	Very high	96.2	Very high	85 Å²	85	61.2 Å²	61.2	40%	0.397	31%	0.314	S	S	.	.	H	α-helix	trans	-56.1	-40.4	-173.6	-162.7	-173	138	0	0	113.1	W508 V514 L515 K516	W508-E512 PolarHBondContact O-N 3.5Å; E512-V514 VanDerWaalsContact C-N 3.34Å; E512-V514 PolarHBondContact O-N 3.43Å; E512-L515 WeakPolarHBondContact O-CB 3.4Å; E512-L515 PolarHBondContact O-N 3.17Å; E512-K516 WeakPolarHBondContact O-CG 3.48Å; E512-K516 PolarHBondContact O-N 3.2Å; E512-K516 VanDerWaalsContact OE1-CE 3.24Å; E512-K516 WeakPolarHBondContact OE1-CE 3.45Å; E512-K516 IonicContact OE1-NZ 2.86Å; E512-K516 PolarHBondContact OE1-NZ 3.03Å
513	E	96.6	Very high	96.3	Very high	119 Å²	119	61.4 Å²	61.4	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-65.2	-35.9	177.8	-65.7	-54.8	115	0	0	112.6	I511 K516 M517	I511-E513 VanDerWaalsContact C-N 3.28Å; I511-E513 PolarHBondContact O-N 2.98Å; E513-K516 PolarHBondContact O-N 3.01Å; E513-K516 IonicContact OE1-NZ 3.95Å; E513-K516 PolarHBondContact OE1-NZ 2.98Å; E513-M517 WeakPolarHBondContact O-CG 3.41Å; E513-M517 PolarHBondContact O-N 3.46Å
514	V	97.3	Very high	96.4	Very high	6 Å²	6	63.9 Å²	63.9	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-40.3	173.9	174.5	0	0	0	0	110.5	I466 T469 L470 I511 E512 K516 M517 L518	I466-V514 HydrophobicContact CG1-CG1 4.24Å; I466-V514 HydrophobicContact CG2-CG1 4.12Å; T469-V514 HydrophobicContact CG2-CG2 3.61Å; L470-V514 HydrophobicContact CD1-CG1 3.73Å; L470-V514 HydrophobicContact CD2-CG1 4.49Å; L470-V514 HydrophobicContact CG-CG1 4.05Å; I511-V514 HydrophobicContact CB-CB 4.42Å; I511-V514 WeakPolarHBondContact O-CB 2.91Å; I511-V514 PolarHBondContact O-N 2.79Å; E512-V514 VanDerWaalsContact C-N 3.34Å; E512-V514 PolarHBondContact O-N 3.43Å; V514-K516 PolarHBondContact O-N 2.97Å; V514-M517 WeakPolarHBondContact O-CB 3.44Å; V514-M517 PolarHBondContact O-N 3.29Å; V514-L518 HydrophobicContact CG1-CD1 4.47Å; V514-L518 PolarHBondContact O-N 3.43Å
515	L	97.9	Very high	96.6	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-31.3	177	-68.5	170.4	0	0	0	112.4	K195 L499 W508 I511 E512 M517 L518 H522	K195-L515 HydrophobicContact CD-CD2 4.31Å; K195-L515 PolarHBondContact NZ-O 3.07Å; L499-L515 HydrophobicContact CD2-CD2 3.91Å; W508-L515 HydrophobicContact CB-CD1 3.69Å; W508-L515 HydrophobicContact CD2-CD1 4.14Å; W508-L515 HydrophobicContact CE3-CD1 4.46Å; W508-L515 HydrophobicContact CG-CD1 3.83Å; I511-L515 HydrophobicContact CD1-CD1 4.45Å; I511-L515 HydrophobicContact CD1-CD2 4.28Å; I511-L515 HydrophobicContact CD1-CG 4.17Å; I511-L515 HydrophobicContact CG1-CD1 4.16Å; I511-L515 HydrophobicContact CG1-CG 4.19Å; I511-L515 PolarHBondContact O-N 2.7Å; E512-L515 WeakPolarHBondContact O-CB 3.4Å; E512-L515 PolarHBondContact O-N 3.17Å; L515-M517 VanDerWaalsContact C-N 3.32Å; L515-L518 PolarHBondContact O-N 3.23Å; L515-H522 HydrophobicContact CD1-CB 4.42Å
516	K	96.5	Very high	96.9	Very high	116 Å²	116	66.6 Å²	66.6	50%	0.504	33%	0.332	S	S	.	.	H	α-helix	trans	-71.2	-23.5	173.7	-70	169.3	-172.5	159	0	113.3	E512 E513 V514	E512-K516 WeakPolarHBondContact O-CG 3.48Å; E512-K516 PolarHBondContact O-N 3.2Å; E512-K516 VanDerWaalsContact OE1-CE 3.24Å; E512-K516 WeakPolarHBondContact OE1-CE 3.45Å; E512-K516 IonicContact OE1-NZ 2.86Å; E512-K516 PolarHBondContact OE1-NZ 3.03Å; E513-K516 PolarHBondContact O-N 3.01Å; E513-K516 IonicContact OE1-NZ 3.95Å; E513-K516 PolarHBondContact OE1-NZ 2.98Å; V514-K516 PolarHBondContact O-N 2.97Å
517	M	95.7	Very high	96.9	Very high	66 Å²	66	62 Å²	62	33%	0.325	30%	0.301	S	S	.	.	H	α-helix	trans	-81.4	-16.4	176.1	-62.4	175.5	-165.8	0	0	113.1	N462 T465 I466 E513 V514 L515	N462-M517 HydrophobicContact CB-CB 4.46Å; N462-M517 HydrophobicContact CB-SD 4.33Å; T465-M517 HydrophobicContact CG2-CE 4.18Å; T465-M517 HydrophobicContact CG2-SD 4.21Å; I466-M517 HydrophobicContact CD1-CB 4.18Å; I466-M517 HydrophobicContact CG1-CB 4.44Å; I466-M517 HydrophobicContact CG1-SD 4.33Å; E513-M517 WeakPolarHBondContact O-CG 3.41Å; E513-M517 PolarHBondContact O-N 3.46Å; V514-M517 WeakPolarHBondContact O-CB 3.44Å; V514-M517 PolarHBondContact O-N 3.29Å; L515-M517 VanDerWaalsContact C-N 3.32Å
518	L	97.2	Very high	96.7	Very high	16 Å²	16	69.6 Å²	69.6	8%	0.084	33%	0.332	C	S	.	.	S	Bend	trans	-94.5	151.1	-178.3	-66.9	174.5	0	0	0	111.6	K195 V234 I466 L495 L499 V514 L515	K195-L518 VanDerWaalsContact CE-CB 3.46Å; K195-L518 PolarHBondContact NZ-O 2.71Å; V234-L518 HydrophobicContact CG1-CB 4.37Å; V234-L518 HydrophobicContact CG1-CD1 4.13Å; I466-L518 HydrophobicContact CD1-CD2 3.88Å; L495-L518 HydrophobicContact CD1-CD1 4.41Å; L495-L518 HydrophobicContact CD2-CD1 4.42Å; L495-L518 HydrophobicContact CD2-CD2 3.76Å; L499-L518 HydrophobicContact CD1-CD1 3.95Å; L499-L518 HydrophobicContact CD2-CD1 4.12Å; V514-L518 HydrophobicContact CG1-CD1 4.47Å; V514-L518 PolarHBondContact O-N 3.43Å; L515-L518 PolarHBondContact O-N 3.23Å
519	P	96.7	Very high	96.3	Very high	55 Å²	55	71.4 Å²	71.4	36%	0.357	34%	0.343	S	S	.	.	S	Bend	trans	-55.4	146.9	179.4	-28.4	37.1	0	0	0	115	K195	K195-P519 WeakPolarHBondContact CE-O 3.33Å; K195-P519 PolarHBondContact NZ-O 2.9Å
520	G	97.6	Very high	95.8	Very high	28 Å²	28	61.6 Å²	61.6	29%	0.289	31%	0.308	S	S	.	.	S	Bend	trans	68.5	171.9	174.4	0	0	0	0	0	115.9	K195	K195-G520 PolarHBondContact NZ-O 2.8Å
521	P	98.4	Very high	95.1	Very high	50 Å²	50	63.7 Å²	63.7	33%	0.325	32%	0.322	S	S	.	.			trans	-72.1	158.1	178.2	31	-37.1	0	0	0	111.9	K195 G196 D197 R200	K195-P521 VanDerWaalsContact CA-O 3.32Å; K195-P521 WeakPolarHBondContact CA-O 3.18Å; G196-P521 PolarHBondContact N-O 3.28Å; D197-P521 WeakPolarHBondContact OD1-CD 3.42Å; R200-P521 HydrophobicContact CB-CG 4Å; R200-P521 HydrophobicContact CG-CG 4.37Å
522	H	98.4	Very high	94.3	Very high	71 Å²	71	66.3 Å²	66.3	33%	0.329	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.8	157.9	65.1	-82.9	0	0	0	109.2	G194 K195 W508 L515	G194-H522 CarbonylContact O-C 3.55Å; G194-H522 VanDerWaalsContact O-CA 3.24Å; G194-H522 WeakPolarHBondContact O-CA 3.42Å; K195-H522 HydrophobicContact CD-CB 4.03Å; W508-H522 HydrophobicContact CE3-CB 4.32Å; W508-H522 HydrophobicContact CZ3-CB 4.27Å; L515-H522 HydrophobicContact CD1-CB 4.42Å
523	F	98.5	Very high	93.6	Very high	22 Å²	22	63.4 Å²	63.4	10%	0.096	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	162.4	-176.8	62.5	-91.9	0	0	0	113.3	I192 F193 G194 A199 R200 A203 L229 E525	I192-F523 HydrophobicContact CG2-CE2 4.23Å; F193-F523 WeakPolarHBondContact CA-O 3.41Å; G194-F523 PolarHBondContact N-O 3.26Å; G194-F523 VanDerWaalsContact N-O 3.11Å; G194-F523 PolarHBondContact O-N 3.33Å; A199-F523 HydrophobicContact CB-CE1 4.12Å; A199-F523 HydrophobicContact CB-CZ 4.29Å; A199-F523 WeakPolarHBondContact O-CZ 3.35Å; R200-F523 HydrophobicContact CB-CD1 4.4Å; R200-F523 HydrophobicContact CB-CE1 3.93Å; A203-F523 HydrophobicContact CB-CE2 3.56Å; A203-F523 HydrophobicContact CB-CZ 3.66Å; L229-F523 HydrophobicContact CD1-CZ 4.37Å; F523-E525 HydrophobicContact CD2-CG 3.96Å; F523-E525 HydrophobicContact CE2-CG 4.35Å
524	E	98.1	Very high	92.6	Very high	78 Å²	78	65.3 Å²	65.3	36%	0.364	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.6	168.9	178.8	-177.5	169.1	0	0	108.3	I192 F193 R526	I192-E524 CarbonylContact O-C 3.6Å; I192-E524 WeakPolarHBondContact O-CA 3.45Å; F193-E524 HydrophobicContact CD1-CB 3.85Å; F193-E524 HydrophobicContact CD1-CG 3.95Å; F193-E524 HydrophobicContact CE1-CB 3.73Å; F193-E524 VanDerWaalsContact CE1-CD 3.49Å; F193-E524 HydrophobicContact CE1-CG 3.44Å; F193-E524 VanDerWaalsContact CE1-CG 3.44Å; F193-E524 HydrophobicContact CZ-CG 3.87Å; E524-R526 IonicContact OE1-CZ 2.98Å; E524-R526 IonicContact OE1-NE 2.81Å; E524-R526 PolarHBondContact OE1-NE 2.99Å; E524-R526 IonicContact OE1-NH2 3.69Å; E524-R526 PolarHBondContact OE1-NH2 3.03Å
525	E	97.9	Very high	91.3	Very high	59 Å²	59	68.1 Å²	68.1	28%	0.276	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.5	175.3	-63.4	-73.1	-174.5	0	0	110.1	I192 R200 L207 F523	I192-E525 HydrophobicContact CB-CB 4.21Å; I192-E525 PolarHBondContact N-O 2.92Å; I192-E525 PolarHBondContact O-N 3Å; R200-E525 IonicContact CZ-OE1 3.46Å; R200-E525 VanDerWaalsContact CZ-OE1 3.3Å; R200-E525 IonicContact NH1-OE1 3.98Å; R200-E525 PolarHBondContact NH1-OE1 2.99Å; R200-E525 IonicContact NH2-OE1 2.75Å; R200-E525 PolarHBondContact NH2-OE1 2.84Å; L207-E525 HydrophobicContact CD1-CB 4.33Å; L207-E525 HydrophobicContact CD1-CG 4.1Å; F523-E525 HydrophobicContact CD2-CG 3.96Å; F523-E525 HydrophobicContact CE2-CG 4.35Å
526	R	96.1	Very high	89.9	Confident	171 Å²	171	77.4 Å²	77.4	65%	0.645	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.4	179.1	-68.1	-179.4	179.4	-107.6	-8.9	110.8	P190 E524	P190-R526 WeakPolarHBondContact O-CA 3.35Å; E524-R526 IonicContact OE1-CZ 2.98Å; E524-R526 IonicContact OE1-NE 2.81Å; E524-R526 PolarHBondContact OE1-NE 2.99Å; E524-R526 IonicContact OE1-NH2 3.69Å; E524-R526 PolarHBondContact OE1-NH2 3.03Å
527	Q	93.8	Very high	88.5	Confident	13 Å²	13	77.2 Å²	77.2	6%	0.061	40%	0.397	C	S	.	.			trans	-105.2	132.3	172	-62.5	-166.6	85.7	0	0	110	T188 I189 P190 I192 L207	T188-Q527 HydrophobicContact CG2-CB 3.76Å; I189-Q527 PolarHBondContact O-NE2 3.13Å; P190-Q527 PolarHBondContact O-N 2.81Å; I192-Q527 HydrophobicContact CD1-CG 4.14Å; L207-Q527 HydrophobicContact CD2-CG 3.84Å
528	Q	89.8	Confident	87.2	Confident	177 Å²	177	81.5 Å²	81.5	83%	0.827	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-69.8	136.8	172.3	-64.3	-176.7	5	0	0	110.1	K210	K210-Q528 PolarHBondContact NZ-O 3.07Å
529	L	89.4	Confident	85.5	Confident	57 Å²	57	90.6 Å²	90.6	30%	0.298	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-79.9	150.8	171.4	-65.2	-177.9	0	0	0	110.2	T188 P190 P222	T188-L529 HydrophobicContact CG2-CD2 3.89Å; P190-L529 HydrophobicContact CG-CD2 4.15Å; P222-L529 HydrophobicContact CG-CD1 4.14Å; P222-L529 HydrophobicContact CG-CD2 3.5Å; P222-L529 VanDerWaalsContact CG-CD2 3.5Å; P222-L529 HydrophobicContact CG-CG 4.48Å
530	P	85.6	Confident	84.1	Confident	17 Å²	17	91.5 Å²	91.5	11%	0.11	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-55.5	143.2	173.3	-22	30.5	0	0	0	112	G532 L533	P530-G532 PolarHBondContact O-N 3.16Å; P530-L533 HydrophobicContact CB-CD1 3.91Å; P530-L533 HydrophobicContact CG-CD1 3.85Å; P530-L533 PolarHBondContact O-N 3.08Å; P530-L533 VanDerWaalsContact O-N 3.14Å
531	S	81.8	Confident	83.1	Confident	115 Å²	115	93.7 Å²	93.7	80%	0.804	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	131.8	-179.1	-57.9	0	0	0	0	111.3
532	G	80.2	Confident	82.4	Confident	70 Å²	70	93.6 Å²	93.6	72%	0.722	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-11.9	-178.9	0	0	0	0	0	115.2	P530 H534	P530-G532 PolarHBondContact O-N 3.16Å; G532-H534 PolarHBondContact O-N 3.5Å
533	L	82.9	Confident	82	Confident	24 Å²	24	94.9 Å²	94.9	13%	0.126	48%	0.479	C	S	.	.			trans	-89.2	105.3	172.3	-69.4	172.9	0	0	0	110.7	Q219 L221 P530	Q219-L533 HydrophobicContact CB-CD1 4.28Å; L221-L533 HydrophobicContact CD2-CB 4.47Å; L221-L533 HydrophobicContact CD2-CD2 3.75Å; L221-L533 HydrophobicContact CG-CD2 4.03Å; P530-L533 HydrophobicContact CB-CD1 3.91Å; P530-L533 HydrophobicContact CG-CD1 3.85Å; P530-L533 PolarHBondContact O-N 3.08Å; P530-L533 VanDerWaalsContact O-N 3.14Å
534	H	74	Confident	81.8	Confident	159 Å²	159	94 Å²	94	74%	0.736	48%	0.476	S	S	*	.			trans	-116.8	113.7	170	-65	-68.5	0	0	0	109.8	G532 K536	G532-H534 PolarHBondContact O-N 3.5Å; H534-K536 PolarHBondContact O-N 2.82Å; H534-K536 VanDerWaalsContact O-N 3.11Å
535	K	71.3	Confident	81.7	Confident	66 Å²	66	90.7 Å²	90.7	29%	0.287	46%	0.461	S	S	.	.			trans	-75.8	98.3	172.1	-166.3	174.4	-178.9	-179.1	0	108.5	P222 D225 R537	P222-K535 PolarHBondContact O-NZ 2.98Å; D225-K535 IonicContact OD1-NZ 3.78Å; D225-K535 PolarHBondContact OD1-NZ 3.35Å; D225-K535 IonicContact OD2-NZ 3.2Å; D225-K535 PolarHBondContact OD2-NZ 2.82Å; K535-R537 PolarHBondContact O-N 2.77Å
536	K	67.6	Low	81.8	Confident	195 Å²	195	87.9 Å²	87.9	85%	0.848	45%	0.448	S	S	*	.			trans	-72.4	108.5	167.9	-76.4	-173.9	178.9	179.6	0	108	H534	H534-K536 PolarHBondContact O-N 2.82Å; H534-K536 VanDerWaalsContact O-N 3.11Å
537	R	67	Low	81.9	Confident	113 Å²	113	79.8 Å²	79.8	43%	0.426	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-74	133.6	176.3	-79.2	-173.1	172.3	159.8	-0.5	110.7	D225 K535 R543	D225-R537 VanDerWaalsContact CG-NH2 3.35Å; D225-R537 IonicContact OD1-CZ 2.72Å; D225-R537 IonicContact OD1-NE 3.61Å; D225-R537 IonicContact OD1-NH2 3.82Å; D225-R537 PolarHBondContact OD1-NH2 3.24Å; K535-R537 PolarHBondContact O-N 2.77Å; R537-R543 VanDerWaalsContact NH1-CZ 3.31Å
538	Q	68.5	Low	82.2	Confident	156 Å²	156	79.1 Å²	79.1	73%	0.729	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-80.1	147.5	168.3	-62.1	-174.5	14.8	0	0	109.7	G540 E541	Q538-G540 PolarHBondContact O-N 2.99Å; Q538-E541 HydrophobicContact CB-CB 4.45Å; Q538-E541 PolarHBondContact N-OE2 3.44Å; Q538-E541 WeakPolarHBondContact O-CB 3.45Å; Q538-E541 PolarHBondContact O-N 3.21Å
539	Q	62.2	Low	82.6	Confident	206 Å²	206	70.8 Å²	70.8	96%	0.963	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	125.8	176.6	-164.5	172.9	12	0	0	108.9
540	G	66.2	Low	83	Confident	75 Å²	75	68.2 Å²	68.2	77%	0.773	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	3.3	-176.6	0	0	0	0	0	115.5	Q538 N542	Q538-G540 PolarHBondContact O-N 2.99Å; G540-N542 PolarHBondContact O-N 3.18Å
541	E	76.6	Confident	83.6	Confident	74 Å²	74	67.6 Å²	67.6	35%	0.346	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-77.6	120.6	176.4	-168.8	-178.6	-177.8	0	0	111.8	R9 Q538	R9-E541 VanDerWaalsContact NH1-CG 3.35Å; R9-E541 IonicContact NH1-OE1 2.71Å; Q538-E541 HydrophobicContact CB-CB 4.45Å; Q538-E541 PolarHBondContact N-OE2 3.44Å; Q538-E541 WeakPolarHBondContact O-CB 3.45Å; Q538-E541 PolarHBondContact O-N 3.21Å
542	N	83.9	Confident	84.4	Confident	47 Å²	47	62.1 Å²	62.1	25%	0.251	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-62.4	143.3	174.1	-65.2	-6.8	0	0	0	111.3	R9 G540 G571	R9-N542 PolarHBondContact NH1-O 3.38Å; G540-N542 PolarHBondContact O-N 3.18Å; N542-G571 CarbonylContact C-O 3.54Å; N542-G571 WeakPolarHBondContact CA-O 3.38Å; N542-G571 WeakPolarHBondContact OD1-CA 3.43Å
543	R	89.8	Confident	85.3	Confident	99 Å²	99	58.8 Å²	58.8	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.1	174.3	-55	177.9	-175.9	-178.3	1.6	110	D225 R537 G571 M572 E573	D225-R543 HydrophobicContact CB-CB 4.12Å; D225-R543 WeakPolarHBondContact OD2-CA 3.46Å; R537-R543 VanDerWaalsContact NH1-CZ 3.31Å; R543-G571 PolarHBondContact N-O 2.9Å; R543-M572 HydrophobicContact CB-SD 3.68Å; R543-M572 HydrophobicContact CG-SD 4.25Å; R543-M572 CarbonylContact O-C 3.53Å; R543-M572 WeakPolarHBondContact O-CA 3.38Å; R543-E573 PolarHBondContact O-N 3.38Å
544	T	94.8	Very high	86.1	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.6	177.1	-50.2	0	0	0	0	109.7	V10 V223 F224 D225 T226 E573 I575	V10-T544 HydrophobicContact CG2-CG2 4.03Å; V223-T544 WeakPolarHBondContact O-CB 3.39Å; F224-T544 HydrophobicContact CD1-CG2 3.91Å; F224-T544 HydrophobicContact CE1-CG2 4.34Å; D225-T544 PolarHBondContact N-O 3.45Å; D225-T544 PolarHBondContact OD2-N 3.34Å; T226-T544 PolarHBondContact N-O 3.22Å; T544-E573 CarbonylContact C-O 3.51Å; T544-E573 WeakPolarHBondContact CA-O 3.48Å; T544-I575 HydrophobicContact CG2-CG1 3.94Å
545	T	97.4	Very high	87.3	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.6	178.1	-59.2	0	0	0	0	110.3	T226 L228 V547 E573 Y574 I575	T226-T545 HydrophobicContact CG2-CG2 4.16Å; T226-T545 CarbonylContact O-C 3.56Å; T226-T545 WeakPolarHBondContact O-CA 3.47Å; L228-T545 HydrophobicContact CB-CG2 4.4Å; T545-V547 HydrophobicContact CG2-CG2 4.03Å; T545-E573 PolarHBondContact N-O 3Å; T545-Y574 HydrophobicContact CG2-CD1 4.09Å; T545-Y574 HydrophobicContact CG2-CE1 4.1Å; T545-Y574 WeakPolarHBondContact O-CA 3.41Å; T545-I575 PolarHBondContact O-N 3.04Å
546	L	98.7	Very high	88.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	113	168.3	-179	61.5	0	0	0	108.7	L179 L182 I189 F224 T226 L227 L228 I575 A577	L179-L546 HydrophobicContact CD2-CD2 3.74Å; L182-L546 HydrophobicContact CD1-CD2 3.71Å; I189-L546 HydrophobicContact CD1-CD2 4.1Å; F224-L546 HydrophobicContact CD1-CB 3.79Å; F224-L546 HydrophobicContact CE1-CB 4.1Å; F224-L546 HydrophobicContact CE1-CD1 4.25Å; F224-L546 HydrophobicContact CG-CB 4.34Å; T226-L546 PolarHBondContact O-N 2.86Å; L227-L546 CarbonylContact C-O 3.58Å; L227-L546 WeakPolarHBondContact CA-O 3.38Å; L227-L546 HydrophobicContact CD1-CB 4.31Å; L227-L546 HydrophobicContact CD1-CD2 4.1Å; L227-L546 HydrophobicContact CD1-CG 4.07Å; L228-L546 PolarHBondContact N-O 3.27Å; L546-I575 CarbonylContact C-O 3.6Å; L546-I575 WeakPolarHBondContact CA-O 3.44Å; L546-I575 HydrophobicContact CD1-CB 4.14Å; L546-I575 HydrophobicContact CD1-CG2 3.94Å; L546-A577 HydrophobicContact CD1-CB 3.89Å
547	V	98.9	Very high	90.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116	175.7	-173.1	0	0	0	0	108.2	L228 T500 T545 F549 L561 Y574 I575 A577	L228-V547 HydrophobicContact CB-CG2 4.5Å; L228-V547 HydrophobicContact CD2-CG1 4.16Å; L228-V547 HydrophobicContact CD2-CG2 4.48Å; L228-V547 HydrophobicContact CG-CG1 4.34Å; L228-V547 CarbonylContact O-C 3.44Å; T500-V547 HydrophobicContact CG2-CG2 3.99Å; T545-V547 HydrophobicContact CG2-CG2 4.03Å; V547-F549 HydrophobicContact CB-CE2 4.32Å; V547-F549 HydrophobicContact CG1-CD2 4.15Å; V547-F549 HydrophobicContact CG1-CE2 3.55Å; V547-F549 HydrophobicContact CG1-CZ 4.04Å; V547-L561 HydrophobicContact CB-CD1 4.45Å; V547-L561 HydrophobicContact CG1-CD1 4.49Å; V547-L561 HydrophobicContact CG2-CD2 4.44Å; V547-Y574 HydrophobicContact CG2-CD1 3.58Å; V547-Y574 HydrophobicContact CG2-CE1 4.22Å; V547-Y574 HydrophobicContact CG2-CG 4.42Å; V547-I575 PolarHBondContact N-O 3.23Å; V547-A577 PolarHBondContact O-N 2.91Å
548	F	98.9	Very high	91.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.7	-179.1	-157.1	-57.9	0	0	0	111	L144 M154 T175 L179 L227 L228 L229 L230 L550 A577 T579	L144-F548 HydrophobicContact CD1-CE2 4.38Å; L144-F548 HydrophobicContact CD2-CE2 3.89Å; L144-F548 HydrophobicContact CD2-CZ 4.1Å; M154-F548 HydrophobicContact CG-CZ 4.27Å; M154-F548 HydrophobicContact SD-CE1 4.47Å; M154-F548 HydrophobicContact SD-CZ 3.85Å; T175-F548 HydrophobicContact CG2-CD1 4.1Å; T175-F548 HydrophobicContact CG2-CD2 4.11Å; T175-F548 HydrophobicContact CG2-CE1 3.59Å; T175-F548 HydrophobicContact CG2-CE2 3.58Å; T175-F548 HydrophobicContact CG2-CG 4.37Å; T175-F548 HydrophobicContact CG2-CZ 3.32Å; L179-F548 HydrophobicContact CD1-CD2 4.26Å; L179-F548 HydrophobicContact CD2-CD2 4.04Å; L179-F548 HydrophobicContact CD2-CE2 4.49Å; L179-F548 HydrophobicContact CG-CD2 4.29Å; L179-F548 HydrophobicContact CG-CE2 4.39Å; L227-F548 HydrophobicContact CD1-CB 4.16Å; L228-F548 PolarHBondContact O-N 3.33Å; L229-F548 HydrophobicContact CD2-CB 3.97Å; L229-F548 HydrophobicContact CD2-CG 4.43Å; L230-F548 PolarHBondContact N-O 3.08Å; F548-L550 HydrophobicContact CD1-CD2 3.61Å; F548-L550 HydrophobicContact CD1-CG 4.19Å; F548-L550 HydrophobicContact CE1-CD2 3.72Å; F548-A577 CarbonylContact C-O 3.31Å; F548-A577 VanDerWaalsContact CA-O 3.25Å; F548-A577 WeakPolarHBondContact CA-O 3.48Å; F548-A577 HydrophobicContact CB-CB 4.26Å; F548-A577 HydrophobicContact CD2-CB 3.33Å; F548-A577 HydrophobicContact CE2-CB 3.66Å; F548-A577 HydrophobicContact CG-CB 3.83Å; F548-A577 HydrophobicContact CZ-CB 4.37Å; F548-T579 HydrophobicContact CE1-CG2 4.1Å
549	F	98.9	Very high	93.1	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117.3	174.9	-68	-100.8	0	0	0	111.5	L230 I497 V547 V553 L561 I576 A577 T578 T579	L230-F549 HydrophobicContact CD2-CD1 4.41Å; L230-F549 HydrophobicContact CD2-CE1 4.02Å; L230-F549 WeakPolarHBondContact O-CA 3.37Å; I497-F549 HydrophobicContact CD1-CE1 4.36Å; I497-F549 HydrophobicContact CD1-CZ 3.7Å; V547-F549 HydrophobicContact CB-CE2 4.32Å; V547-F549 HydrophobicContact CG1-CD2 4.15Å; V547-F549 HydrophobicContact CG1-CE2 3.55Å; V547-F549 HydrophobicContact CG1-CZ 4.04Å; F549-V553 HydrophobicContact CB-CB 3.92Å; F549-V553 HydrophobicContact CD1-CB 4.05Å; F549-V553 HydrophobicContact CD1-CG2 3.89Å; F549-V553 HydrophobicContact CD2-CB 3.85Å; F549-V553 HydrophobicContact CD2-CG2 3.65Å; F549-V553 HydrophobicContact CE1-CG2 3.87Å; F549-V553 HydrophobicContact CE2-CB 4.37Å; F549-V553 HydrophobicContact CE2-CG2 3.66Å; F549-V553 HydrophobicContact CG-CB 3.68Å; F549-V553 HydrophobicContact CG-CG2 3.79Å; F549-V553 HydrophobicContact CZ-CG2 3.77Å; F549-L561 HydrophobicContact CE2-CD1 3.84Å; F549-L561 HydrophobicContact CZ-CD1 4.05Å; F549-I576 HydrophobicContact CD2-CG2 4.15Å; F549-I576 HydrophobicContact CE2-CG2 4.16Å; F549-A577 PolarHBondContact N-O 2.83Å; F549-T578 WeakPolarHBondContact O-CA 3.42Å; F549-T579 PolarHBondContact O-N 3.35Å; F549-T579 VanDerWaalsContact O-N 3.07Å
550	L	98.9	Very high	94.8	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.016	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	98.3	-179.8	-59.7	172.3	0	0	0	110	L172 T175 C198 A199 V202 L229 L230 R232 F548 T579	L172-L550 HydrophobicContact CD2-CD2 4.35Å; T175-L550 HydrophobicContact CG2-CD2 3.73Å; C198-L550 HydrophobicContact CB-CB 4.23Å; C198-L550 HydrophobicContact CB-CD1 3.93Å; A199-L550 HydrophobicContact CB-CD1 3.95Å; V202-L550 HydrophobicContact CG2-CD1 4.01Å; V202-L550 HydrophobicContact CG2-CD2 4.01Å; L229-L550 HydrophobicContact CB-CD1 4.47Å; L230-L550 PolarHBondContact O-N 3.42Å; R232-L550 WeakPolarHBondContact CB-O 3.26Å; R232-L550 PolarHBondContact N-O 3.01Å; F548-L550 HydrophobicContact CD1-CD2 3.61Å; F548-L550 HydrophobicContact CD1-CG 4.19Å; F548-L550 HydrophobicContact CE1-CD2 3.72Å; L550-T579 HydrophobicContact CD2-CG2 4.36Å
551	G	98.1	Very high	96.3	Very high	5 Å²	5	11.8 Å²	11.8	5%	0.052	5%	0.054	C	C	.	.	S	Bend	trans	112.1	-0.7	-175.1	0	0	0	0	0	114.3	T579	G551-T579 WeakPolarHBondContact CA-OG1 3.17Å; G551-T579 PolarHBondContact N-OG1 3.31Å
552	G	98.6	Very high	97.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.			trans	123.8	159.5	166.3	0	0	0	0	0	115.5	R232 T578 T579 K580	R232-G552 VanDerWaalsContact CD-O 3.32Å; R232-G552 WeakPolarHBondContact CD-O 3.25Å; R232-G552 PolarHBondContact NH1-O 3.46Å; G552-T578 WeakPolarHBondContact CA-OG1 3.47Å; G552-T579 PolarHBondContact N-OG1 2.71Å; G552-K580 CarbonylContact C-O 3.54Å; G552-K580 WeakPolarHBondContact CA-O 3.3Å
553	V	98.9	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	3%	0.033	C	C	.	.	B	Isolated β-bridge	trans	-137.3	147.3	177.8	71	0	0	0	0	110.5	F549 E557 I558 I576 T578 K580 L581 I582	F549-V553 HydrophobicContact CB-CB 3.92Å; F549-V553 HydrophobicContact CD1-CB 4.05Å; F549-V553 HydrophobicContact CD1-CG2 3.89Å; F549-V553 HydrophobicContact CD2-CB 3.85Å; F549-V553 HydrophobicContact CD2-CG2 3.65Å; F549-V553 HydrophobicContact CE1-CG2 3.87Å; F549-V553 HydrophobicContact CE2-CB 4.37Å; F549-V553 HydrophobicContact CE2-CG2 3.66Å; F549-V553 HydrophobicContact CG-CB 3.68Å; F549-V553 HydrophobicContact CG-CG2 3.79Å; F549-V553 HydrophobicContact CZ-CG2 3.77Å; V553-E557 WeakPolarHBondContact CA-OE2 3.42Å; V553-E557 HydrophobicContact CG2-CB 3.64Å; V553-E557 HydrophobicContact CG2-CG 4.49Å; V553-E557 WeakPolarHBondContact CG2-OE2 3.34Å; V553-I558 HydrophobicContact CG1-CD1 4.04Å; V553-I558 HydrophobicContact CG1-CG1 4.24Å; V553-I558 HydrophobicContact CG2-CG1 4.17Å; V553-I576 HydrophobicContact CG1-CG2 4.39Å; V553-T578 HydrophobicContact CG1-CG2 3.71Å; V553-T578 PolarHBondContact N-OG1 2.97Å; V553-K580 PolarHBondContact N-O 2.94Å; V553-L581 HydrophobicContact CG1-CD2 3.87Å; V553-I582 PolarHBondContact O-N 3.22Å
554	T	98.9	Very high	98.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.			trans	-93.2	161.9	175.4	75.1	0	0	0	0	112.7	P239 A556 E557 I558 I582	P239-T554 HydrophobicContact CB-CG2 3.99Å; P239-T554 HydrophobicContact CG-CG2 4.34Å; T554-A556 VanDerWaalsContact C-N 3.3Å; T554-A556 PolarHBondContact O-N 3.45Å; T554-A556 PolarHBondContact OG1-N 2.96Å; T554-E557 PolarHBondContact N-OE2 3.43Å; T554-E557 PolarHBondContact O-N 2.97Å; T554-E557 WeakPolarHBondContact OG1-CG 3.37Å; T554-E557 PolarHBondContact OG1-N 3.32Å; T554-E557 VanDerWaalsContact OG1-N 3.1Å; T554-I558 WeakPolarHBondContact O-CG1 3.42Å; T554-I558 PolarHBondContact O-N 2.91Å; T554-I558 VanDerWaalsContact O-N 3.08Å; T554-I582 WeakPolarHBondContact CA-O 3.46Å
555	Y	98.9	Very high	98.2	Very high	6 Å²	6	4.2 Å²	4.2	2%	0.024	2%	0.024	C	C	.	.	H	α-helix	trans	-66.5	-31.1	173.4	-72.9	-74	0	0	0	112.6	E247 D251 I256 I558 A559	E247-Y555 HydrophobicContact CG-CD1 3.5Å; E247-Y555 HydrophobicContact CG-CD2 4.33Å; E247-Y555 HydrophobicContact CG-CE1 3.98Å; E247-Y555 HydrophobicContact CG-CG 3.69Å; E247-Y555 WeakPolarHBondContact OE1-CE1 3.37Å; E247-Y555 WeakPolarHBondContact OE2-CD1 3.22Å; D251-Y555 HydrophobicContact CB-CD2 3.68Å; D251-Y555 HydrophobicContact CB-CE2 3.92Å; I256-Y555 HydrophobicContact CB-CE2 4Å; I256-Y555 HydrophobicContact CD1-CD2 4.45Å; I256-Y555 HydrophobicContact CD1-CE2 3.97Å; I256-Y555 HydrophobicContact CG1-CE2 4.43Å; I256-Y555 HydrophobicContact CG2-CE2 4.49Å; I256-Y555 VanDerWaalsContact CG2-OH 3.26Å; I256-Y555 WeakPolarHBondContact CG2-OH 3.37Å; Y555-I558 HydrophobicContact CD1-CD1 4.14Å; Y555-I558 PolarHBondContact O-N 3.32Å; Y555-A559 WeakPolarHBondContact O-CB 3.42Å; Y555-A559 PolarHBondContact O-N 3.06Å
556	A	98.9	Very high	98	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.2	-39.4	172.4	0	0	0	0	0	112.6	Q243 V488 Y489 T554 A559 A560	Q243-A556 HydrophobicContact CB-CB 4.14Å; Q243-A556 HydrophobicContact CG-CB 3.84Å; V488-A556 HydrophobicContact CB-CB 4.14Å; V488-A556 HydrophobicContact CG2-CB 4.16Å; Y489-A556 HydrophobicContact CD2-CB 4.45Å; Y489-A556 HydrophobicContact CE1-CB 4.4Å; Y489-A556 HydrophobicContact CE2-CB 3.58Å; T554-A556 VanDerWaalsContact C-N 3.3Å; T554-A556 PolarHBondContact O-N 3.45Å; T554-A556 PolarHBondContact OG1-N 2.96Å; A556-A559 PolarHBondContact O-N 3.05Å; A556-A560 WeakPolarHBondContact O-CB 3.35Å; A556-A560 PolarHBondContact O-N 2.89Å
557	E	98.9	Very high	97.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.1	-41.2	172.8	-74.4	175.6	127.5	0	0	111.7	R232 T238 P494 S496 I497 V553 T554 A560 L561	R232-E557 IonicContact CZ-OE1 2.87Å; R232-E557 VanDerWaalsContact CZ-OE1 3.27Å; R232-E557 IonicContact CZ-OE2 3.84Å; R232-E557 IonicContact NH1-OE1 3.36Å; R232-E557 PolarHBondContact NH1-OE1 3.43Å; R232-E557 IonicContact NH1-OE2 2.74Å; R232-E557 PolarHBondContact NH1-OE2 3.19Å; R232-E557 IonicContact NH2-OE1 3.62Å; R232-E557 PolarHBondContact NH2-OE1 2.95Å; T238-E557 HydrophobicContact CG2-CG 3.53Å; P494-E557 HydrophobicContact CB-CG 4.26Å; S496-E557 WeakPolarHBondContact CB-OE1 3.49Å; S496-E557 PolarHBondContact OG-OE1 3.42Å; I497-E557 HydrophobicContact CD1-CB 4.01Å; I497-E557 HydrophobicContact CD1-CG 4.34Å; I497-E557 HydrophobicContact CG1-CB 4.15Å; I497-E557 HydrophobicContact CG1-CG 4.2Å; V553-E557 WeakPolarHBondContact CA-OE2 3.42Å; V553-E557 HydrophobicContact CG2-CB 3.64Å; V553-E557 HydrophobicContact CG2-CG 4.49Å; V553-E557 WeakPolarHBondContact CG2-OE2 3.34Å; T554-E557 PolarHBondContact N-OE2 3.43Å; T554-E557 PolarHBondContact O-N 2.97Å; T554-E557 WeakPolarHBondContact OG1-CG 3.37Å; T554-E557 PolarHBondContact OG1-N 3.32Å; T554-E557 VanDerWaalsContact OG1-N 3.1Å; E557-A560 PolarHBondContact O-N 3.13Å; E557-L561 PolarHBondContact O-N 3.34Å
558	I	98.9	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-48.5	174.7	-67.4	164.2	0	0	0	110.6	L151 V553 T554 Y555 A560 L561 R562 I576 L581	L151-I558 HydrophobicContact CD1-CD1 3.83Å; L151-I558 HydrophobicContact CD1-CG1 4.36Å; L151-I558 HydrophobicContact CD2-CD1 4.01Å; V553-I558 HydrophobicContact CG1-CD1 4.04Å; V553-I558 HydrophobicContact CG1-CG1 4.24Å; V553-I558 HydrophobicContact CG2-CG1 4.17Å; T554-I558 WeakPolarHBondContact O-CG1 3.42Å; T554-I558 PolarHBondContact O-N 2.91Å; T554-I558 VanDerWaalsContact O-N 3.08Å; Y555-I558 HydrophobicContact CD1-CD1 4.14Å; Y555-I558 PolarHBondContact O-N 3.32Å; I558-A560 VanDerWaalsContact C-N 3.29Å; I558-A560 PolarHBondContact O-N 3Å; I558-L561 PolarHBondContact O-N 3.27Å; I558-L561 VanDerWaalsContact O-N 3.15Å; I558-R562 WeakPolarHBondContact O-CG 3.2Å; I558-R562 PolarHBondContact O-N 3.38Å; I558-I576 HydrophobicContact CG1-CG2 4.29Å; I558-I576 HydrophobicContact CG2-CD1 4.37Å; I558-L581 HydrophobicContact CD1-CD2 3.56Å
559	A	98.9	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-41.3	177.7	0	0	0	0	0	111.8	T245 D301 V488 Y555 A556 R562 F563	T245-A559 HydrophobicContact CG2-CB 4.04Å; D301-A559 HydrophobicContact CB-CB 3.86Å; D301-A559 WeakPolarHBondContact OD1-CA 3.34Å; D301-A559 WeakPolarHBondContact OD1-CB 3.31Å; V488-A559 HydrophobicContact CG1-CB 4.17Å; Y555-A559 WeakPolarHBondContact O-CB 3.42Å; Y555-A559 PolarHBondContact O-N 3.06Å; A556-A559 PolarHBondContact O-N 3.05Å; A559-R562 PolarHBondContact O-N 2.91Å; A559-F563 WeakPolarHBondContact O-CB 3.32Å; A559-F563 PolarHBondContact O-N 3.41Å
560	A	98.7	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-37.4	176.4	0	0	0	0	0	113	I485 V488 I497 A556 E557 I558 F563 L564	I485-A560 HydrophobicContact CB-CB 4.02Å; I485-A560 HydrophobicContact CG2-CB 3.99Å; V488-A560 HydrophobicContact CG1-CB 4.12Å; V488-A560 HydrophobicContact CG2-CB 4.3Å; I497-A560 HydrophobicContact CB-CB 4.39Å; I497-A560 HydrophobicContact CG1-CB 4.11Å; I497-A560 HydrophobicContact CG2-CB 3.92Å; A556-A560 WeakPolarHBondContact O-CB 3.35Å; A556-A560 PolarHBondContact O-N 2.89Å; E557-A560 PolarHBondContact O-N 3.13Å; I558-A560 VanDerWaalsContact C-N 3.29Å; I558-A560 PolarHBondContact O-N 3Å; A560-F563 WeakPolarHBondContact O-CB 3.28Å; A560-F563 PolarHBondContact O-N 2.85Å; A560-L564 WeakPolarHBondContact O-CG 3.44Å; A560-L564 PolarHBondContact O-N 3.16Å
561	L	98.3	Very high	92.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.6	-38.2	173.1	-74.9	169.9	0	0	0	112.5	I497 T500 V547 F549 E557 I558 L564 S565 Y574 I576	I497-L561 HydrophobicContact CD1-CD1 3.8Å; I497-L561 HydrophobicContact CD1-CD2 3.97Å; I497-L561 HydrophobicContact CD1-CG 3.59Å; I497-L561 HydrophobicContact CG1-CG 4.47Å; I497-L561 HydrophobicContact CG2-CD2 4.16Å; I497-L561 HydrophobicContact CG2-CG 4.37Å; T500-L561 HydrophobicContact CG2-CD2 3.82Å; V547-L561 HydrophobicContact CB-CD1 4.45Å; V547-L561 HydrophobicContact CG1-CD1 4.49Å; V547-L561 HydrophobicContact CG2-CD2 4.44Å; F549-L561 HydrophobicContact CE2-CD1 3.84Å; F549-L561 HydrophobicContact CZ-CD1 4.05Å; E557-L561 PolarHBondContact O-N 3.34Å; I558-L561 PolarHBondContact O-N 3.27Å; I558-L561 VanDerWaalsContact O-N 3.15Å; L561-L564 PolarHBondContact O-N 2.95Å; L561-S565 PolarHBondContact O-N 3.41Å; L561-S565 PolarHBondContact O-OG 3.46Å; L561-Y574 HydrophobicContact CD2-CD1 4.23Å; L561-Y574 HydrophobicContact CD2-CD2 4.07Å; L561-Y574 HydrophobicContact CD2-CE2 4.49Å; L561-Y574 HydrophobicContact CD2-CG 3.94Å; L561-I576 HydrophobicContact CB-CD1 4.41Å; L561-I576 HydrophobicContact CB-CG1 4.37Å; L561-I576 HydrophobicContact CD1-CG1 3.64Å
562	R	97.5	Very high	91.9	Very high	10 Å²	10	32.2 Å²	32.2	4%	0.038	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-43.1	173.1	-72.3	171.6	175.8	153	3.1	111.3	D150 E247 R300 D301 I558 A559 L564 S565 Q566	D150-R562 IonicContact OD1-CZ 2.89Å; D150-R562 IonicContact OD1-NE 3.09Å; D150-R562 IonicContact OD1-NH2 2.69Å; D150-R562 PolarHBondContact OD1-NH2 3.47Å; D150-R562 WeakPolarHBondContact OD2-CG 3.49Å; D150-R562 IonicContact OD2-CZ 2.98Å; D150-R562 IonicContact OD2-NE 3.17Å; D150-R562 PolarHBondContact OD2-NE 3.1Å; D150-R562 IonicContact OD2-NH2 3.83Å; E247-R562 IonicContact OE2-NH1 3.41Å; R300-R562 VanDerWaalsContact NE-NH1 3.16Å; D301-R562 VanDerWaalsContact CG-CD 3.5Å; D301-R562 VanDerWaalsContact OD1-CD 3.27Å; D301-R562 WeakPolarHBondContact OD1-CD 3.42Å; D301-R562 IonicContact OD1-CZ 3.67Å; D301-R562 IonicContact OD1-NE 3.43Å; D301-R562 IonicContact OD1-NH1 2.73Å; D301-R562 PolarHBondContact OD1-NH1 2.8Å; D301-R562 WeakPolarHBondContact OD2-CD 3.41Å; D301-R562 IonicContact OD2-NH1 2.92Å; I558-R562 WeakPolarHBondContact O-CG 3.2Å; I558-R562 PolarHBondContact O-N 3.38Å; A559-R562 PolarHBondContact O-N 2.91Å; R562-L564 PolarHBondContact O-N 3.43Å; R562-S565 WeakPolarHBondContact O-CB 3.37Å; R562-S565 PolarHBondContact O-N 3.17Å; R562-S565 VanDerWaalsContact O-N 3.14Å; R562-Q566 WeakPolarHBondContact O-CG 3.47Å; R562-Q566 PolarHBondContact O-N 3.35Å
563	F	97.4	Very high	91.6	Very high	25 Å²	25	34 Å²	34	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-56.6	-49.2	173.2	174.1	-97.9	0	0	0	111.5	P482 I485 Y487 A559 A560 S565 Q566 M567	P482-F563 HydrophobicContact CB-CE2 3.96Å; P482-F563 HydrophobicContact CB-CZ 4.38Å; P482-F563 HydrophobicContact CG-CD2 4.2Å; P482-F563 HydrophobicContact CG-CE2 3.84Å; P482-F563 WeakPolarHBondContact O-CE2 3.47Å; I485-F563 HydrophobicContact CG2-CD1 3.83Å; I485-F563 HydrophobicContact CG2-CE1 4.4Å; Y487-F563 HydrophobicContact CE1-CB 3.85Å; Y487-F563 HydrophobicContact CE1-CD1 4.32Å; Y487-F563 AromaticContact CE1-CD2 3.95Å; Y487-F563 HydrophobicContact CE1-CD2 3.95Å; Y487-F563 AromaticContact CE1-CG 3.77Å; Y487-F563 HydrophobicContact CE1-CG 3.77Å; A559-F563 WeakPolarHBondContact O-CB 3.32Å; A559-F563 PolarHBondContact O-N 3.41Å; A560-F563 WeakPolarHBondContact O-CB 3.28Å; A560-F563 PolarHBondContact O-N 2.85Å; F563-S565 VanDerWaalsContact C-N 3.26Å; F563-S565 PolarHBondContact O-N 3.4Å; F563-Q566 PolarHBondContact O-N 3.42Å; F563-Q566 VanDerWaalsContact O-N 3.08Å; F563-M567 HydrophobicContact CD1-SD 4.34Å; F563-M567 HydrophobicContact CE1-CG 4.17Å; F563-M567 HydrophobicContact CE1-SD 3.72Å; F563-M567 HydrophobicContact CZ-CG 4.33Å; F563-M567 HydrophobicContact CZ-SD 4.23Å; F563-M567 PolarHBondContact O-N 3.14Å
564	L	96.1	Very high	91.5	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-32.9	176.9	-68.1	179.5	0	0	0	113.2	I485 I497 Q501 A560 L561 R562 Q566 M567 S570 Y574	I485-L564 HydrophobicContact CG2-CD1 4.14Å; I485-L564 HydrophobicContact CG2-CD2 3.68Å; I485-L564 HydrophobicContact CG2-CG 3.67Å; I497-L564 HydrophobicContact CG2-CD1 3.67Å; Q501-L564 HydrophobicContact CB-CD1 3.89Å; Q501-L564 HydrophobicContact CG-CD1 4.2Å; Q501-L564 HydrophobicContact CG-CD2 4Å; A560-L564 WeakPolarHBondContact O-CG 3.44Å; A560-L564 PolarHBondContact O-N 3.16Å; L561-L564 PolarHBondContact O-N 2.95Å; R562-L564 PolarHBondContact O-N 3.43Å; L564-Q566 VanDerWaalsContact C-N 3.27Å; L564-Q566 PolarHBondContact O-N 3.13Å; L564-M567 HydrophobicContact CD2-SD 3.94Å; L564-S570 WeakPolarHBondContact O-CB 3.24Å; L564-S570 PolarHBondContact O-OG 2.86Å; L564-Y574 HydrophobicContact CB-CD2 4.18Å; L564-Y574 HydrophobicContact CB-CE2 3.72Å; L564-Y574 HydrophobicContact CD1-CE2 4.3Å
565	S	94.3	Very high	91.5	Very high	26 Å²	26	34.6 Å²	34.6	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-68.5	-26.4	176.7	-57.8	0	0	0	0	112.8	L561 R562 F563 Y574	L561-S565 PolarHBondContact O-N 3.41Å; L561-S565 PolarHBondContact O-OG 3.46Å; R562-S565 WeakPolarHBondContact O-CB 3.37Å; R562-S565 PolarHBondContact O-N 3.17Å; R562-S565 VanDerWaalsContact O-N 3.14Å; F563-S565 VanDerWaalsContact C-N 3.26Å; F563-S565 PolarHBondContact O-N 3.4Å; S565-Y574 WeakPolarHBondContact OG-CD2 3.48Å; S565-Y574 PolarHBondContact OG-N 2.9Å
566	Q	91.4	Very high	91.5	Very high	149 Å²	149	34.3 Å²	34.3	70%	0.696	17%	0.174	S	C	*	.	H	α-helix	trans	-89.3	-13.3	-178.9	-68.1	173	8	0	0	113.5	R562 F563 L564 E568	R562-Q566 WeakPolarHBondContact O-CG 3.47Å; R562-Q566 PolarHBondContact O-N 3.35Å; F563-Q566 PolarHBondContact O-N 3.42Å; F563-Q566 VanDerWaalsContact O-N 3.08Å; L564-Q566 VanDerWaalsContact C-N 3.27Å; L564-Q566 PolarHBondContact O-N 3.13Å; Q566-E568 PolarHBondContact O-N 2.99Å
567	M	86.5	Confident	91.5	Very high	70 Å²	70	34.3 Å²	34.3	35%	0.345	17%	0.174	S	C	.	.			trans	-68	125.5	178.5	-65.9	-173.2	77.7	0	0	111	F563 L564 D569 S570	F563-M567 HydrophobicContact CD1-SD 4.34Å; F563-M567 HydrophobicContact CE1-CG 4.17Å; F563-M567 HydrophobicContact CE1-SD 3.72Å; F563-M567 HydrophobicContact CZ-CG 4.33Å; F563-M567 HydrophobicContact CZ-SD 4.23Å; F563-M567 PolarHBondContact O-N 3.14Å; L564-M567 HydrophobicContact CD2-SD 3.94Å; M567-D569 PolarHBondContact O-N 2.88Å; M567-D569 VanDerWaalsContact O-N 3.13Å; M567-S570 WeakPolarHBondContact O-CB 3.44Å; M567-S570 PolarHBondContact O-N 3.22Å; M567-S570 PolarHBondContact O-OG 3.37Å
568	E	69.9	Low	91.5	Very high	196 Å²	196	34.3 Å²	34.3	92%	0.916	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.8	-176.5	-65.2	-175.7	164.4	0	0	113.1	Q566	Q566-E568 PolarHBondContact O-N 2.99Å
569	D	70.7	Confident	91.5	Very high	135 Å²	135	34.4 Å²	34.4	72%	0.722	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.6	-178.2	-73	-38.2	0	0	0	114.7	R505 M567 G571	R505-D569 PolarHBondContact NH1-O 3.12Å; R505-D569 PolarHBondContact NH2-O 2.87Å; R505-D569 VanDerWaalsContact NH2-O 3.17Å; M567-D569 PolarHBondContact O-N 2.88Å; M567-D569 VanDerWaalsContact O-N 3.13Å; D569-G571 VanDerWaalsContact C-N 3.35Å; D569-G571 PolarHBondContact O-N 3.15Å
570	S	71	Confident	91.5	Very high	22 Å²	22	36 Å²	36	15%	0.154	18%	0.182	C	C	.	.			trans	-63.6	-41.9	-171.2	76.2	0	0	0	0	111.7	R505 L564 M567 M572	R505-S570 PolarHBondContact NH2-O 3.33Å; R505-S570 VanDerWaalsContact NH2-O 3.08Å; L564-S570 WeakPolarHBondContact O-CB 3.24Å; L564-S570 PolarHBondContact O-OG 2.86Å; M567-S570 WeakPolarHBondContact O-CB 3.44Å; M567-S570 PolarHBondContact O-N 3.22Å; M567-S570 PolarHBondContact O-OG 3.37Å; S570-M572 PolarHBondContact O-N 2.97Å; S570-M572 PolarHBondContact OG-N 3.13Å; S570-M572 VanDerWaalsContact OG-N 3.13Å; S570-M572 PolarHBondContact OG-O 3.09Å; S570-M572 VanDerWaalsContact OG-O 3.05Å
571	G	80.6	Confident	91.5	Very high	16 Å²	16	36.7 Å²	36.7	17%	0.165	19%	0.185	C	C	.	.			trans	59.6	18.1	-168.9	0	0	0	0	0	113.2	N542 R543 D569	N542-G571 CarbonylContact C-O 3.54Å; N542-G571 WeakPolarHBondContact CA-O 3.38Å; N542-G571 WeakPolarHBondContact OD1-CA 3.43Å; R543-G571 PolarHBondContact N-O 2.9Å; D569-G571 VanDerWaalsContact C-N 3.35Å; D569-G571 PolarHBondContact O-N 3.15Å
572	M	87.3	Confident	91.5	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.7	-174	-61.3	-68.3	179.8	0	0	110.4	A504 R543 S570 Y574	A504-M572 HydrophobicContact CB-CE 3.96Å; A504-M572 HydrophobicContact CB-CG 3.83Å; A504-M572 HydrophobicContact CB-SD 4.5Å; R543-M572 HydrophobicContact CB-SD 3.68Å; R543-M572 HydrophobicContact CG-SD 4.25Å; R543-M572 CarbonylContact O-C 3.53Å; R543-M572 WeakPolarHBondContact O-CA 3.38Å; S570-M572 PolarHBondContact O-N 2.97Å; S570-M572 PolarHBondContact OG-N 3.13Å; S570-M572 VanDerWaalsContact OG-N 3.13Å; S570-M572 PolarHBondContact OG-O 3.09Å; S570-M572 VanDerWaalsContact OG-O 3.05Å; M572-Y574 HydrophobicContact CB-CE2 4.21Å
573	E	92.5	Very high	91.5	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.178	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132	170.6	-171.9	174.1	153.3	0	0	108	R9 R543 T544 T545	R9-E573 WeakPolarHBondContact CD-OE2 3.38Å; R9-E573 WeakPolarHBondContact CG-OE2 3.47Å; R9-E573 PolarHBondContact N-OE1 2.96Å; R9-E573 VanDerWaalsContact N-OE1 3.1Å; R9-E573 IonicContact NE-OE2 3.95Å; R9-E573 PolarHBondContact NE-OE2 3.35Å; R543-E573 PolarHBondContact O-N 3.38Å; T544-E573 CarbonylContact C-O 3.51Å; T544-E573 WeakPolarHBondContact CA-O 3.48Å; T545-E573 PolarHBondContact N-O 3Å
574	Y	96.6	Very high	91.5	Very high	10 Å²	10	35.7 Å²	35.7	4%	0.039	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.1	-175.4	-62.3	-72.9	0	0	0	111.5	T500 A504 T545 V547 L561 L564 S565 M572	T500-Y574 HydrophobicContact CG2-CD1 4.1Å; T500-Y574 HydrophobicContact CG2-CE1 3.46Å; T500-Y574 VanDerWaalsContact CG2-CE1 3.46Å; A504-Y574 WeakPolarHBondContact CB-OH 3.38Å; T545-Y574 HydrophobicContact CG2-CD1 4.09Å; T545-Y574 HydrophobicContact CG2-CE1 4.1Å; T545-Y574 WeakPolarHBondContact O-CA 3.41Å; V547-Y574 HydrophobicContact CG2-CD1 3.58Å; V547-Y574 HydrophobicContact CG2-CE1 4.22Å; V547-Y574 HydrophobicContact CG2-CG 4.42Å; L561-Y574 HydrophobicContact CD2-CD1 4.23Å; L561-Y574 HydrophobicContact CD2-CD2 4.07Å; L561-Y574 HydrophobicContact CD2-CE2 4.49Å; L561-Y574 HydrophobicContact CD2-CG 3.94Å; L564-Y574 HydrophobicContact CB-CD2 4.18Å; L564-Y574 HydrophobicContact CB-CE2 3.72Å; L564-Y574 HydrophobicContact CD1-CE2 4.3Å; S565-Y574 WeakPolarHBondContact OG-CD2 3.48Å; S565-Y574 PolarHBondContact OG-N 2.9Å; M572-Y574 HydrophobicContact CB-CE2 4.21Å
575	I	98.2	Very high	91.5	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130	164.8	-55.6	-63.2	0	0	0	106.6	V10 D150 F224 T544 T545 L546 V547	V10-I575 HydrophobicContact CB-CD1 4.33Å; V10-I575 HydrophobicContact CG2-CD1 3.95Å; V10-I575 HydrophobicContact CG2-CG1 3.77Å; D150-I575 HydrophobicContact CB-CD1 4.09Å; F224-I575 HydrophobicContact CE1-CB 3.98Å; F224-I575 HydrophobicContact CE1-CG1 3.94Å; F224-I575 HydrophobicContact CE1-CG2 4.17Å; T544-I575 HydrophobicContact CG2-CG1 3.94Å; T545-I575 PolarHBondContact O-N 3.04Å; L546-I575 CarbonylContact C-O 3.6Å; L546-I575 WeakPolarHBondContact CA-O 3.44Å; L546-I575 HydrophobicContact CD1-CB 4.14Å; L546-I575 HydrophobicContact CD1-CG2 3.94Å; V547-I575 PolarHBondContact N-O 3.23Å
576	I	98.8	Very high	91.7	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.9	-174.6	-54.4	89	0	0	0	108.9	D150 L151 L152 F549 V553 I558 L561	D150-I576 HydrophobicContact CB-CD1 4.47Å; D150-I576 VanDerWaalsContact O-CD1 3.31Å; D150-I576 WeakPolarHBondContact O-CD1 3.26Å; D150-I576 PolarHBondContact O-N 3.14Å; L151-I576 CarbonylContact C-O 3.54Å; L151-I576 WeakPolarHBondContact CA-O 3.15Å; L151-I576 HydrophobicContact CD1-CB 3.81Å; L151-I576 HydrophobicContact CD1-CG2 3.81Å; L152-I576 PolarHBondContact N-O 3.31Å; F549-I576 HydrophobicContact CD2-CG2 4.15Å; F549-I576 HydrophobicContact CE2-CG2 4.16Å; V553-I576 HydrophobicContact CG1-CG2 4.39Å; I558-I576 HydrophobicContact CG1-CG2 4.29Å; I558-I576 HydrophobicContact CG2-CD1 4.37Å; L561-I576 HydrophobicContact CB-CD1 4.41Å; L561-I576 HydrophobicContact CB-CG1 4.37Å; L561-I576 HydrophobicContact CD1-CG1 3.64Å
577	A	98.9	Very high	92	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.8	165.1	0	0	0	0	0	109.6	L152 L546 V547 F548 F549	L152-A577 HydrophobicContact CB-CB 4.2Å; L152-A577 CarbonylContact O-C 3.44Å; L152-A577 VanDerWaalsContact O-CA 3.27Å; L152-A577 WeakPolarHBondContact O-CA 3.38Å; L546-A577 HydrophobicContact CD1-CB 3.89Å; V547-A577 PolarHBondContact O-N 2.91Å; F548-A577 CarbonylContact C-O 3.31Å; F548-A577 VanDerWaalsContact CA-O 3.25Å; F548-A577 WeakPolarHBondContact CA-O 3.48Å; F548-A577 HydrophobicContact CB-CB 4.26Å; F548-A577 HydrophobicContact CD2-CB 3.33Å; F548-A577 HydrophobicContact CE2-CB 3.66Å; F548-A577 HydrophobicContact CG-CB 3.83Å; F548-A577 HydrophobicContact CZ-CB 4.37Å; F549-A577 PolarHBondContact N-O 2.83Å
578	T	98.9	Very high	92.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.5	179.2	-176.3	0	0	0	0	111.3	L152 S153 M154 F549 G552 V553 K580 L581	L152-T578 PolarHBondContact O-N 3.44Å; S153-T578 CarbonylContact C-O 3.57Å; S153-T578 WeakPolarHBondContact CA-O 3.33Å; M154-T578 PolarHBondContact N-O 3.41Å; F549-T578 WeakPolarHBondContact O-CA 3.42Å; G552-T578 WeakPolarHBondContact CA-OG1 3.47Å; V553-T578 HydrophobicContact CG1-CG2 3.71Å; V553-T578 PolarHBondContact N-OG1 2.97Å; T578-K580 VanDerWaalsContact C-N 3.27Å; T578-K580 WeakPolarHBondContact CG2-O 3.33Å; T578-K580 PolarHBondContact OG1-N 2.82Å; T578-K580 VanDerWaalsContact OG1-N 3.08Å; T578-K580 PolarHBondContact OG1-O 2.86Å; T578-L581 HydrophobicContact CG2-CD2 4.25Å; T578-L581 HydrophobicContact CG2-CG 4.37Å
579	T	98.8	Very high	93.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.141	C	C	.	.	S	Bend	trans	-64.5	-35.7	164.6	56	0	0	0	0	111.1	M154 E155 Y156 A159 F548 F549 L550 G551 G552	M154-T579 HydrophobicContact SD-CG2 4.03Å; E155-T579 PolarHBondContact N-O 3.4Å; Y156-T579 PolarHBondContact N-O 2.72Å; A159-T579 HydrophobicContact CB-CG2 4.09Å; F548-T579 HydrophobicContact CE1-CG2 4.1Å; F549-T579 PolarHBondContact O-N 3.35Å; F549-T579 VanDerWaalsContact O-N 3.07Å; L550-T579 HydrophobicContact CD2-CG2 4.36Å; G551-T579 WeakPolarHBondContact CA-OG1 3.17Å; G551-T579 PolarHBondContact N-OG1 3.31Å; G552-T579 PolarHBondContact N-OG1 2.71Å
580	K	98.6	Very high	94.9	Very high	34 Å²	34	21 Å²	21	15%	0.148	11%	0.113	C	C	.	.			trans	-158.6	144.3	-177.8	-173.7	59.3	-170.3	157.6	0	112.5	E155 G552 V553 T578 I582	E155-K580 VanDerWaalsContact CD-NZ 3.25Å; E155-K580 IonicContact OE1-NZ 3.17Å; E155-K580 PolarHBondContact OE1-NZ 2.98Å; E155-K580 IonicContact OE2-NZ 2.81Å; E155-K580 PolarHBondContact OE2-NZ 3.43Å; G552-K580 CarbonylContact C-O 3.54Å; G552-K580 WeakPolarHBondContact CA-O 3.3Å; V553-K580 PolarHBondContact N-O 2.94Å; T578-K580 VanDerWaalsContact C-N 3.27Å; T578-K580 WeakPolarHBondContact CG2-O 3.33Å; T578-K580 PolarHBondContact OG1-N 2.82Å; T578-K580 VanDerWaalsContact OG1-N 3.08Å; T578-K580 PolarHBondContact OG1-O 2.86Å; K580-I582 HydrophobicContact CB-CG2 4.01Å; K580-I582 HydrophobicContact CG-CG2 3.69Å
581	L	98.8	Very high	96.1	Very high	14 Å²	14	20 Å²	20	7%	0.073	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-79.6	122.1	163	-66.6	168.5	0	0	0	109	F147 L151 V553 I558 T578	F147-L581 HydrophobicContact CD1-CD1 3.6Å; F147-L581 HydrophobicContact CE1-CD1 3.54Å; F147-L581 HydrophobicContact CG-CD1 4.24Å; F147-L581 HydrophobicContact CZ-CD1 4.15Å; L151-L581 HydrophobicContact CD1-CD2 4.27Å; L151-L581 HydrophobicContact CD2-CD1 4.28Å; L151-L581 HydrophobicContact CD2-CD2 4.15Å; V553-L581 HydrophobicContact CG1-CD2 3.87Å; I558-L581 HydrophobicContact CD1-CD2 3.56Å; T578-L581 HydrophobicContact CG2-CD2 4.25Å; T578-L581 HydrophobicContact CG2-CG 4.37Å
582	I	98.4	Very high	96.8	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.056	11%	0.107	C	C	.	.			trans	-131	162.6	-173.1	64.6	168.4	0	0	0	111.9	P239 V553 T554 K580 W587	P239-I582 HydrophobicContact CB-CD1 4.2Å; P239-I582 HydrophobicContact CG-CD1 4.29Å; V553-I582 PolarHBondContact O-N 3.22Å; T554-I582 WeakPolarHBondContact CA-O 3.46Å; K580-I582 HydrophobicContact CB-CG2 4.01Å; K580-I582 HydrophobicContact CG-CG2 3.69Å; I582-W587 HydrophobicContact CB-CB 4.41Å; I582-W587 HydrophobicContact CD1-CB 4.18Å; I582-W587 HydrophobicContact CD1-CD2 4.48Å; I582-W587 HydrophobicContact CD1-CG 4.13Å
583	N	98.5	Very high	96.7	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	12%	0.116	C	C	.	.			trans	-136.9	176.4	160.8	59	43.9	0	0	0	109	D251 T585 T586 W587	D251-N583 VanDerWaalsContact CG-ND2 3.29Å; D251-N583 PolarHBondContact O-ND2 2.89Å; D251-N583 WeakPolarHBondContact OD2-CB 3.19Å; D251-N583 PolarHBondContact OD2-ND2 2.7Å; N583-T585 PolarHBondContact O-N 3.05Å; N583-T585 WeakPolarHBondContact OD1-CA 3.24Å; N583-T585 WeakPolarHBondContact OD1-CB 3.42Å; N583-T585 PolarHBondContact OD1-N 3.4Å; N583-T586 PolarHBondContact N-OG1 3Å; N583-T586 PolarHBondContact O-N 3.42Å; N583-T586 PolarHBondContact O-OG1 2.97Å; N583-T586 PolarHBondContact OD1-N 2.95Å; N583-T586 PolarHBondContact OD1-OG1 3.28Å; N583-W587 WeakPolarHBondContact O-CB 3.33Å; N583-W587 PolarHBondContact O-N 3.4Å
584	G	96.4	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58	-36.3	-177.6	0	0	0	0	0	113	P239 V588	P239-G584 WeakPolarHBondContact O-CA 3.34Å; P239-G584 PolarHBondContact O-N 3.35Å; G584-V588 WeakPolarHBondContact O-CB 3.32Å; G584-V588 VanDerWaalsContact O-CG2 3.25Å; G584-V588 WeakPolarHBondContact O-CG2 3.15Å; G584-V588 PolarHBondContact O-N 3.26Å; G584-V588 VanDerWaalsContact O-N 3.08Å
585	T	97.4	Very high	93.5	Very high	53 Å²	53	31.9 Å²	31.9	33%	0.325	16%	0.156	S	C	.	.	H	α-helix	trans	-68.7	-53.7	-179.8	-60.3	0	0	0	0	112.2	I404 R408 N583 W587 K589	I404-T585 HydrophobicContact CG2-CG2 3.97Å; R408-T585 PolarHBondContact NH1-OG1 2.69Å; N583-T585 PolarHBondContact O-N 3.05Å; N583-T585 WeakPolarHBondContact OD1-CA 3.24Å; N583-T585 WeakPolarHBondContact OD1-CB 3.42Å; N583-T585 PolarHBondContact OD1-N 3.4Å; T585-W587 VanDerWaalsContact C-N 3.34Å; T585-W587 PolarHBondContact O-N 3.4Å; T585-K589 VanDerWaalsContact O-CB 3.23Å; T585-K589 WeakPolarHBondContact O-CB 3.46Å; T585-K589 PolarHBondContact O-N 2.56Å
586	T	96.9	Very high	90.9	Very high	60 Å²	60	40.2 Å²	40.2	37%	0.368	20%	0.195	S	C	.	.	H	α-helix	trans	-67.2	-35.5	-178.4	50.5	0	0	0	0	112	N583 S590	N583-T586 PolarHBondContact N-OG1 3Å; N583-T586 PolarHBondContact O-N 3.42Å; N583-T586 PolarHBondContact O-OG1 2.97Å; N583-T586 PolarHBondContact OD1-N 2.95Å; N583-T586 PolarHBondContact OD1-OG1 3.28Å; T586-S590 PolarHBondContact O-N 3.42Å
587	W	97.8	Very high	88	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-69.5	-48.5	177.3	-179.7	40.7	0	0	0	112.7	F160 R232 L236 P239 L240 L452 I582 N583 T585 K589 S590 L591	F160-W587 AromaticContact CD1-NE1 3.48Å; F160-W587 HydrophobicContact CD2-CZ2 4.31Å; F160-W587 AromaticContact CD2-NE1 3.62Å; F160-W587 HydrophobicContact CE1-CZ2 4.17Å; F160-W587 AromaticContact CE1-NE1 3.69Å; F160-W587 AromaticContact CE2-CZ2 3.69Å; F160-W587 HydrophobicContact CE2-CZ2 3.69Å; F160-W587 AromaticContact CE2-NE1 3.83Å; F160-W587 AromaticContact CG-NE1 3.46Å; F160-W587 AromaticContact CZ-CZ2 3.61Å; F160-W587 HydrophobicContact CZ-CZ2 3.61Å; F160-W587 AromaticContact CZ-NE1 3.87Å; R232-W587 HydrophobicContact CG-CZ2 4.29Å; L236-W587 HydrophobicContact CB-CH2 4.21Å; L236-W587 HydrophobicContact CD2-CH2 3.54Å; L236-W587 HydrophobicContact CD2-CZ2 3.67Å; L236-W587 HydrophobicContact CG-CH2 4.49Å; P239-W587 HydrophobicContact CB-CD2 4.49Å; P239-W587 HydrophobicContact CB-CE3 3.67Å; P239-W587 HydrophobicContact CB-CZ3 3.8Å; P239-W587 HydrophobicContact CG-CE3 4.25Å; P239-W587 HydrophobicContact CG-CZ3 4.01Å; L240-W587 HydrophobicContact CD2-CE3 4.11Å; L240-W587 HydrophobicContact CD2-CZ3 3.77Å; L240-W587 HydrophobicContact CG-CZ3 3.98Å; L452-W587 HydrophobicContact CD1-CH2 4.11Å; L452-W587 HydrophobicContact CD1-CZ2 4.12Å; L452-W587 HydrophobicContact CD1-CZ3 4.43Å; L452-W587 HydrophobicContact CD2-CH2 3.59Å; L452-W587 HydrophobicContact CD2-CZ2 4.31Å; L452-W587 HydrophobicContact CD2-CZ3 3.93Å; L452-W587 HydrophobicContact CG-CH2 4.26Å; I582-W587 HydrophobicContact CB-CB 4.41Å; I582-W587 HydrophobicContact CD1-CB 4.18Å; I582-W587 HydrophobicContact CD1-CD2 4.48Å; I582-W587 HydrophobicContact CD1-CG 4.13Å; N583-W587 WeakPolarHBondContact O-CB 3.33Å; N583-W587 PolarHBondContact O-N 3.4Å; T585-W587 VanDerWaalsContact C-N 3.34Å; T585-W587 PolarHBondContact O-N 3.4Å; W587-K589 VanDerWaalsContact C-N 3.27Å; W587-K589 PolarHBondContact O-N 3.13Å; W587-S590 PolarHBondContact O-N 2.88Å; W587-S590 PolarHBondContact O-OG 3.31Å; W587-L591 PolarHBondContact O-N 3.07Å
588	V	97.4	Very high	85	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-39.4	176.3	171.7	0	0	0	0	110.4	L240 I404 L407 R408 G584 S590 L591 M592	L240-V588 HydrophobicContact CD2-CG2 4.3Å; I404-V588 HydrophobicContact CD1-CB 4.41Å; I404-V588 HydrophobicContact CD1-CG1 3.83Å; I404-V588 HydrophobicContact CG2-CB 4.35Å; I404-V588 HydrophobicContact CG2-CG1 4.44Å; L407-V588 HydrophobicContact CB-CG1 3.9Å; L407-V588 HydrophobicContact CD1-CG1 3.9Å; R408-V588 HydrophobicContact CG-CG2 4.07Å; G584-V588 WeakPolarHBondContact O-CB 3.32Å; G584-V588 VanDerWaalsContact O-CG2 3.25Å; G584-V588 WeakPolarHBondContact O-CG2 3.15Å; G584-V588 PolarHBondContact O-N 3.26Å; G584-V588 VanDerWaalsContact O-N 3.08Å; V588-S590 VanDerWaalsContact C-N 3.31Å; V588-S590 PolarHBondContact O-N 2.97Å; V588-L591 WeakPolarHBondContact O-CB 3.46Å; V588-L591 PolarHBondContact O-N 3.17Å; V588-L591 VanDerWaalsContact O-N 3.12Å; V588-M592 PolarHBondContact O-N 2.72Å
589	K	96.1	Very high	81.9	Confident	140 Å²	140	57.3 Å²	57.3	61%	0.609	29%	0.289	S	S	*	.	H	α-helix	trans	-62.7	-35.2	177.7	-167.6	175.6	-176.3	178.8	0	112.8	I404 T585 W587 L591 M592	I404-K589 HydrophobicContact CD1-CB 4.29Å; T585-K589 VanDerWaalsContact O-CB 3.23Å; T585-K589 WeakPolarHBondContact O-CB 3.46Å; T585-K589 PolarHBondContact O-N 2.56Å; W587-K589 VanDerWaalsContact C-N 3.27Å; W587-K589 PolarHBondContact O-N 3.13Å; K589-L591 PolarHBondContact O-N 2.95Å; K589-M592 WeakPolarHBondContact O-CB 3.3Å; K589-M592 PolarHBondContact O-N 3.14Å; K589-M592 VanDerWaalsContact O-N 3.16Å
590	S	95.1	Very high	78.9	Confident	18 Å²	18	66 Å²	66	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-70.3	-16.3	177.3	76.7	0	0	0	0	113.5	R161 T586 W587 V588	R161-S590 WeakPolarHBondContact CD-O 3.44Å; T586-S590 PolarHBondContact O-N 3.42Å; W587-S590 PolarHBondContact O-N 2.88Å; W587-S590 PolarHBondContact O-OG 3.31Å; V588-S590 VanDerWaalsContact C-N 3.31Å; V588-S590 PolarHBondContact O-N 2.97Å
591	L	95.9	Very high	77.9	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-11.6	173.4	-60.1	177.8	0	0	0	113.4	F160 R161 L165 N446 L447 A450 L452 W587 V588 K589	F160-L591 HydrophobicContact CD1-CD2 3.79Å; F160-L591 HydrophobicContact CE1-CD1 4.4Å; F160-L591 HydrophobicContact CE1-CD2 4Å; R161-L591 HydrophobicContact CB-CD2 4.33Å; R161-L591 PolarHBondContact NH1-O 2.96Å; L165-L591 HydrophobicContact CD1-CD2 4.06Å; L165-L591 HydrophobicContact CD2-CD2 3.88Å; N446-L591 WeakPolarHBondContact CB-O 3.5Å; N446-L591 PolarHBondContact ND2-O 3.32Å; L447-L591 HydrophobicContact CD2-CD1 3.88Å; A450-L591 HydrophobicContact CB-CD1 4.17Å; L452-L591 HydrophobicContact CD1-CD1 3.52Å; W587-L591 PolarHBondContact O-N 3.07Å; V588-L591 WeakPolarHBondContact O-CB 3.46Å; V588-L591 PolarHBondContact O-N 3.17Å; V588-L591 VanDerWaalsContact O-N 3.12Å; K589-L591 PolarHBondContact O-N 2.95Å
592	M	94.5	Very high	76.8	Confident	39 Å²	39	70.4 Å²	70.4	19%	0.192	37%	0.371	C	S	.	.	S	Bend	trans	-78.1	144.7	174.7	-60.8	177.2	73.5	0	0	110.2	R161 L403 I404 H440 T443 V588 K589	R161-M592 PolarHBondContact NH1-O 3.37Å; L403-M592 HydrophobicContact CD2-CE 4.09Å; I404-M592 HydrophobicContact CD1-SD 3.36Å; I404-M592 WeakPolarHBondContact CD1-SD 3.33Å; H440-M592 VanDerWaalsContact CE1-CE 3.45Å; H440-M592 WeakPolarHBondContact CE1-CE 3.47Å; T443-M592 HydrophobicContact CG2-CG 3.73Å; V588-M592 PolarHBondContact O-N 2.72Å; K589-M592 WeakPolarHBondContact O-CB 3.3Å; K589-M592 PolarHBondContact O-N 3.14Å; K589-M592 VanDerWaalsContact O-N 3.16Å
593	D	86.5	Confident	75.6	Confident	52 Å²	52	73.7 Å²	73.7	28%	0.278	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-76.7	141.3	168.4	-64.9	-27.4	0	0	0	109.2	R161 L442 N446 P595	R161-D593 IonicContact CZ-OD1 3.14Å; R161-D593 VanDerWaalsContact CZ-OD1 3.25Å; R161-D593 IonicContact NH1-OD1 3.53Å; R161-D593 PolarHBondContact NH1-OD1 3.45Å; R161-D593 IonicContact NH2-OD1 2.77Å; R161-D593 PolarHBondContact NH2-OD1 3.19Å; L442-D593 VanDerWaalsContact CB-OD2 3.32Å; L442-D593 WeakPolarHBondContact CB-OD2 3.26Å; N446-D593 PolarHBondContact ND2-OD1 3.39Å; D593-P595 WeakPolarHBondContact O-CD 3.28Å
594	R	66	Low	74.2	Confident	183 Å²	183	77.8 Å²	77.8	69%	0.691	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-74.2	122.9	172.6	-65.5	-175.8	-177.6	-174.2	-0.3	107.5
595	P	54.8	Low	72.8	Confident	56 Å²	56	82.7 Å²	82.7	36%	0.364	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-58.3	142.6	174.1	-19.2	30.2	0	0	0	109.9	D593 S597 Q598	D593-P595 WeakPolarHBondContact O-CD 3.28Å; P595-S597 PolarHBondContact O-N 2.83Å; P595-Q598 PolarHBondContact O-N 3.34Å
596	E	45.1	Very low	71.2	Confident	176 Å²	176	84.7 Å²	84.7	82%	0.822	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-54.3	-26.7	177.4	-70.7	179.9	165.6	0	0	112.7	Q598 I599	E596-Q598 PolarHBondContact O-N 3.18Å; E596-I599 HydrophobicContact CG-CD1 4.47Å; E596-I599 PolarHBondContact O-N 3.01Å
597	S	37.1	Very low	69.4	Low	110 Å²	110	86.4 Å²	86.4	77%	0.769	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-72	-6.3	175.9	58.9	0	0	0	0	115.2	P595	P595-S597 PolarHBondContact O-N 2.83Å
598	Q	36.8	Very low	67.2	Low	143 Å²	143	92.9 Å²	92.9	67%	0.668	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-121.6	10.7	178.5	-63.9	-173.9	0.6	0	0	113	P595 E596	P595-Q598 PolarHBondContact O-N 3.34Å; E596-Q598 PolarHBondContact O-N 3.18Å
599	I	33.9	Very low	64.7	Low	108 Å²	108	100.7 Å²	100.7	55%	0.554	52%	0.522	S	S	*	.			trans	-80.2	120.8	168.1	-57	176.8	0	0	0	106.5	E596	E596-I599 HydrophobicContact CG-CD1 4.47Å; E596-I599 PolarHBondContact O-N 3.01Å
600	P	34.1	Very low	61.8	Low	183 Å²	183	97.1 Å²	97.1	100%	1.188	51%	0.514	S	S	*	.			trans	-63.7	0	-175.2	25.5	-33.7	0	0	0	114

Retrieved 600 of 600 residues in 814.9 ms (Link to these results)

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