G7NAC8_MACMU Loading...

STAM-binding protein

Zinc metalloprotease that specifically cleaves 'Lys-63'-linked polyubiquitin chains. Does not cleave 'Lys-48'-linked polyubiquitin chains. Plays a role in signal transduction for cell growth and MYC induction mediated by IL-2 and GM-CSF. Potentiates BMP (bone morphogenetic protein) signaling by antagonizing the inhibitory action of SMAD6 and SMAD7. Has a key role in regulation of cell surface receptor-mediated endocytosis and ubiquitin-dependent sorting of receptors to lysosomes. Endosomal localization of STAMBP is required for efficient EGFR degradation but not for its internalization. Involved in the negative regulation of PI3K-AKT-mTOR and RAS-MAP signaling pathways.

AlphaFold DB , UniProt , Accession G7NAC8, Species MACMU (Macaca mulatta, Rhesus macaque), Gene STAMBP, Length 424 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.8	Very low	80.2	Confident	210 Å²	210	65.5 Å²	65.5	100%	1.034	38%	0.381	S	S	*	.				0	163.9	0	-70.8	167.3	174.5	0	0	107.9	L21	M1-L21 HydrophobicContact SD-CD2 3.76Å
2	S	49.8	Very low	81.4	Confident	55 Å²	55	69.5 Å²	69.5	39%	0.385	39%	0.394	S	S	.	.			trans	-68.2	133.1	171.7	30.2	0	0	0	0	110.2	H4 A17	S2-H4 PolarHBondContact O-N 3.01Å; S2-A17 WeakPolarHBondContact OG-CB 3.4Å
3	D	71.8	Confident	82.4	Confident	104 Å²	104	68.7 Å²	68.7	56%	0.556	39%	0.388	S	S	*	.			trans	-79.5	111.4	176.6	-170.1	-12.1	0	0	0	109.6	G5 D6	D3-G5 PolarHBondContact O-N 3.02Å; D3-G5 WeakPolarHBondContact OD1-CA 3.36Å; D3-G5 PolarHBondContact OD1-N 3.49Å; D3-D6 HydrophobicContact CB-CB 4.36Å; D3-D6 PolarHBondContact O-N 3.02Å
4	H	81.3	Confident	83.2	Confident	47 Å²	47	64.3 Å²	64.3	22%	0.218	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.8	176.4	55.5	88.8	0	0	0	112.7	S2 R14 A17 L18 E57	S2-H4 PolarHBondContact O-N 3.01Å; H4-R14 PolarHBondContact O-NE 3.35Å; H4-R14 PolarHBondContact O-NH2 3.44Å; H4-A17 HydrophobicContact CB-CB 4.28Å; H4-L18 HydrophobicContact CB-CD2 3.96Å; H4-L18 HydrophobicContact CB-CG 4.26Å; H4-E57 IonicContact CE1-OE2 3.64Å; H4-E57 PolarHBondContact CE1-OE2 3Å; H4-E57 IonicContact ND1-OE2 3.36Å; H4-E57 PolarHBondContact ND1-OE2 2.96Å
5	G	84.3	Confident	84	Confident	43 Å²	43	60.7 Å²	60.7	44%	0.443	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.6	172.1	0	0	0	0	0	114.3	D3 V7	D3-G5 PolarHBondContact O-N 3.02Å; D3-G5 WeakPolarHBondContact OD1-CA 3.36Å; D3-G5 PolarHBondContact OD1-N 3.49Å; G5-V7 PolarHBondContact O-N 2.88Å
6	D	87.9	Confident	84.6	Confident	62 Å²	62	65.8 Å²	65.8	33%	0.332	35%	0.354	S	S	.	.			trans	-72.7	100.3	179.9	-174	-6	0	0	0	111.5	D3 S8 L9 R14	D3-D6 HydrophobicContact CB-CB 4.36Å; D3-D6 PolarHBondContact O-N 3.02Å; D6-S8 VanDerWaalsContact CG-OG 3.25Å; D6-S8 PolarHBondContact O-N 2.95Å; D6-S8 VanDerWaalsContact O-N 3.16Å; D6-S8 WeakPolarHBondContact OD1-CA 3.24Å; D6-S8 VanDerWaalsContact OD1-CB 3.25Å; D6-S8 WeakPolarHBondContact OD1-CB 3.43Å; D6-S8 PolarHBondContact OD1-N 2.94Å; D6-S8 PolarHBondContact OD1-OG 3.33Å; D6-S8 PolarHBondContact OD2-OG 2.85Å; D6-L9 HydrophobicContact CB-CD1 3.99Å; D6-L9 HydrophobicContact CB-CG 3.98Å; D6-L9 WeakPolarHBondContact O-CB 3.37Å; D6-L9 PolarHBondContact O-N 3.38Å; D6-L9 VanDerWaalsContact O-N 3.14Å; D6-R14 VanDerWaalsContact O-CD 3.32Å; D6-R14 WeakPolarHBondContact O-CD 3.4Å
7	V	90.4	Very high	85.1	Confident	57 Å²	57	62.1 Å²	62.1	35%	0.345	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.3	178.2	-61	0	0	0	0	114.2	G5 L9 E117 Y121	G5-V7 PolarHBondContact O-N 2.88Å; V7-L9 VanDerWaalsContact C-N 3.33Å; V7-E117 HydrophobicContact CG1-CB 4.37Å; V7-Y121 HydrophobicContact CG2-CD2 4.13Å; V7-Y121 HydrophobicContact CG2-CG 4.49Å
8	S	89.8	Confident	85.5	Confident	42 Å²	42	58.6 Å²	58.6	29%	0.294	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.1	173.8	78.5	0	0	0	0	113.6	D6 Y121	D6-S8 VanDerWaalsContact CG-OG 3.25Å; D6-S8 PolarHBondContact O-N 2.95Å; D6-S8 VanDerWaalsContact O-N 3.16Å; D6-S8 WeakPolarHBondContact OD1-CA 3.24Å; D6-S8 VanDerWaalsContact OD1-CB 3.25Å; D6-S8 WeakPolarHBondContact OD1-CB 3.43Å; D6-S8 PolarHBondContact OD1-N 2.94Å; D6-S8 PolarHBondContact OD1-OG 3.33Å; D6-S8 PolarHBondContact OD2-OG 2.85Å; S8-Y121 WeakPolarHBondContact CB-OH 3.48Å
9	L	92.4	Very high	85.9	Confident	53 Å²	53	57.2 Å²	57.2	28%	0.277	31%	0.311	S	S	.	.	S	Bend	trans	-84.6	148.6	176.5	-61.7	-179.2	0	0	0	112.3	D6 V7 R14 Y118	D6-L9 HydrophobicContact CB-CD1 3.99Å; D6-L9 HydrophobicContact CB-CG 3.98Å; D6-L9 WeakPolarHBondContact O-CB 3.37Å; D6-L9 PolarHBondContact O-N 3.38Å; D6-L9 VanDerWaalsContact O-N 3.14Å; V7-L9 VanDerWaalsContact C-N 3.33Å; L9-R14 HydrophobicContact CB-CG 3.85Å; L9-Y118 WeakPolarHBondContact O-CD2 3.29Å
10	P	93.9	Very high	86.2	Confident	41 Å²	41	59.8 Å²	59.8	27%	0.266	32%	0.321	S	S	.	.			trans	-55.1	143.5	173.5	-26.4	35.4	0	0	0	113	E12 D13 R14	P10-E12 PolarHBondContact O-N 3.42Å; P10-D13 PolarHBondContact O-N 3.46Å; P10-R14 PolarHBondContact O-N 3.29Å; P10-R14 VanDerWaalsContact O-N 3.14Å
11	P	94.6	Very high	86.3	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.039	32%	0.32	C	S	.	.	H	α-helix	trans	-52.5	-40	179.3	-28.2	36.1	0	0	0	113.8	D13 R14 V15 L111 Y118	P11-D13 VanDerWaalsContact C-N 3.32Å; P11-D13 PolarHBondContact O-N 3.48Å; P11-R14 PolarHBondContact O-N 2.88Å; P11-V15 WeakPolarHBondContact O-CG2 3.38Å; P11-V15 PolarHBondContact O-N 3.24Å; P11-L111 HydrophobicContact CB-CD2 4.24Å; P11-Y118 HydrophobicContact CG-CD1 4.33Å; P11-Y118 HydrophobicContact CG-CG 4.37Å
12	E	94.8	Very high	88.3	Confident	114 Å²	114	49.8 Å²	49.8	53%	0.533	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-35.8	179.8	-61.9	79.3	-176.6	0	0	112	P10 R16 L111	P10-E12 PolarHBondContact O-N 3.42Å; E12-R16 VanDerWaalsContact O-CB 3.24Å; E12-R16 WeakPolarHBondContact O-CB 3.41Å; E12-R16 PolarHBondContact O-N 3.48Å; E12-L111 HydrophobicContact CG-CD2 4.34Å
13	D	94	Very high	90.2	Very high	59 Å²	59	49.1 Å²	49.1	32%	0.316	27%	0.266	S	S	.	.	H	α-helix	trans	-80.3	-33.8	-178.4	-72.6	-27.8	0	0	0	112.4	P10 P11 R16 A17	P10-D13 PolarHBondContact O-N 3.46Å; P11-D13 VanDerWaalsContact C-N 3.32Å; P11-D13 PolarHBondContact O-N 3.48Å; D13-R16 WeakPolarHBondContact O-CB 3.47Å; D13-R16 PolarHBondContact O-N 3.01Å; D13-R16 IonicContact OD1-CZ 2.83Å; D13-R16 IonicContact OD1-NE 2.74Å; D13-R16 PolarHBondContact OD1-NE 3.06Å; D13-R16 IonicContact OD1-NH2 2.66Å; D13-R16 PolarHBondContact OD1-NH2 3.34Å; D13-A17 PolarHBondContact O-N 2.88Å
14	R	94.4	Very high	90.8	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-45.5	169	-63.5	174.6	67.7	-164	-3	110.9	H4 D6 L9 P10 P11 A17 L18 Y114 E117	H4-R14 PolarHBondContact O-NE 3.35Å; H4-R14 PolarHBondContact O-NH2 3.44Å; D6-R14 VanDerWaalsContact O-CD 3.32Å; D6-R14 WeakPolarHBondContact O-CD 3.4Å; L9-R14 HydrophobicContact CB-CG 3.85Å; P10-R14 PolarHBondContact O-N 3.29Å; P10-R14 VanDerWaalsContact O-N 3.14Å; P11-R14 PolarHBondContact O-N 2.88Å; R14-A17 WeakPolarHBondContact O-CB 3.27Å; R14-A17 PolarHBondContact O-N 3.14Å; R14-L18 PolarHBondContact O-N 2.86Å; R14-Y114 HydrophobicContact CB-CD2 3.49Å; R14-Y114 VanDerWaalsContact CB-CD2 3.49Å; R14-Y114 HydrophobicContact CB-CE2 3.47Å; R14-Y114 VanDerWaalsContact CB-CE2 3.47Å; R14-Y114 HydrophobicContact CB-CG 4.36Å; R14-Y114 HydrophobicContact CG-CD2 4.49Å; R14-Y114 VanDerWaalsContact NH2-CD1 3.34Å; R14-E117 IonicContact CZ-OE2 3.64Å; R14-E117 VanDerWaalsContact CZ-OE2 3.27Å; R14-E117 IonicContact NH1-OE2 3.7Å; R14-E117 PolarHBondContact NH1-OE2 2.93Å; R14-E117 IonicContact NH2-OE2 3.35Å; R14-E117 PolarHBondContact NH2-OE2 3.11Å
15	V	94.2	Very high	91.1	Very high	10 Å²	10	46 Å²	46	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-38.7	173.5	173.3	0	0	0	0	112	P11 A17 L18 S19 F60 K107 L110 L111 Y114	P11-V15 WeakPolarHBondContact O-CG2 3.38Å; P11-V15 PolarHBondContact O-N 3.24Å; V15-A17 VanDerWaalsContact C-N 3.29Å; V15-A17 PolarHBondContact O-N 3.22Å; V15-L18 PolarHBondContact O-N 3.31Å; V15-S19 PolarHBondContact O-N 2.97Å; V15-F60 HydrophobicContact CG1-CE1 4.01Å; V15-F60 HydrophobicContact CG1-CZ 4.09Å; V15-K107 HydrophobicContact CG1-CG 4.33Å; V15-L110 HydrophobicContact CG2-CB 3.85Å; V15-L111 HydrophobicContact CB-CD2 4.3Å; V15-L111 HydrophobicContact CG2-CD2 3.85Å; V15-L111 HydrophobicContact CG2-CG 4.07Å; V15-Y114 HydrophobicContact CG2-CD2 3.78Å; V15-Y114 HydrophobicContact CG2-CE2 3.88Å
16	R	93.9	Very high	91	Very high	142 Å²	142	51.4 Å²	51.4	54%	0.536	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-39.4	175.1	-164.6	-165.2	-50.1	-131.7	5.7	111.6	E12 D13 S19 Q20	E12-R16 VanDerWaalsContact O-CB 3.24Å; E12-R16 WeakPolarHBondContact O-CB 3.41Å; E12-R16 PolarHBondContact O-N 3.48Å; D13-R16 WeakPolarHBondContact O-CB 3.47Å; D13-R16 PolarHBondContact O-N 3.01Å; D13-R16 IonicContact OD1-CZ 2.83Å; D13-R16 IonicContact OD1-NE 2.74Å; D13-R16 PolarHBondContact OD1-NE 3.06Å; D13-R16 IonicContact OD1-NH2 2.66Å; D13-R16 PolarHBondContact OD1-NH2 3.34Å; R16-S19 PolarHBondContact O-N 2.71Å; R16-Q20 WeakPolarHBondContact O-CG 3.41Å; R16-Q20 PolarHBondContact O-N 2.93Å
17	A	92.8	Very high	91	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-45	175.4	0	0	0	0	0	111.8	S2 H4 D13 R14 V15 S19 Q20 L21	S2-A17 WeakPolarHBondContact OG-CB 3.4Å; H4-A17 HydrophobicContact CB-CB 4.28Å; D13-A17 PolarHBondContact O-N 2.88Å; R14-A17 WeakPolarHBondContact O-CB 3.27Å; R14-A17 PolarHBondContact O-N 3.14Å; V15-A17 VanDerWaalsContact C-N 3.29Å; V15-A17 PolarHBondContact O-N 3.22Å; A17-S19 PolarHBondContact O-N 3.36Å; A17-Q20 WeakPolarHBondContact O-CB 3.39Å; A17-Q20 PolarHBondContact O-N 2.91Å; A17-Q20 VanDerWaalsContact O-N 3.16Å; A17-L21 WeakPolarHBondContact O-CG 3.48Å; A17-L21 PolarHBondContact O-N 3.32Å
18	L	93.1	Very high	90.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-42.1	175.1	-59.5	174.4	0	0	0	112.5	H4 R14 V15 Q20 L21 G22 E57 F60 I61 L110 Y114	H4-L18 HydrophobicContact CB-CD2 3.96Å; H4-L18 HydrophobicContact CB-CG 4.26Å; R14-L18 PolarHBondContact O-N 2.86Å; V15-L18 PolarHBondContact O-N 3.31Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.32Å; L18-L21 PolarHBondContact O-N 3.49Å; L18-G22 PolarHBondContact O-N 3.21Å; L18-E57 HydrophobicContact CD1-CB 4.36Å; L18-E57 HydrophobicContact CD1-CG 4.22Å; L18-E57 HydrophobicContact CD2-CB 4.24Å; L18-F60 HydrophobicContact CB-CD1 3.7Å; L18-F60 HydrophobicContact CB-CE1 3.92Å; L18-F60 HydrophobicContact CD1-CD1 4.08Å; L18-I61 HydrophobicContact CB-CG1 4.12Å; L18-I61 HydrophobicContact CD2-CD1 3.77Å; L18-I61 HydrophobicContact CD2-CG1 4.02Å; L18-L110 HydrophobicContact CD1-CD1 3.75Å; L18-L110 HydrophobicContact CD1-CD2 4.04Å; L18-Y114 HydrophobicContact CD1-CE2 4.29Å
19	S	92.8	Very high	90.5	Very high	31 Å²	31	49.9 Å²	49.9	22%	0.217	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-32.4	174	-81	0	0	0	0	112.9	V15 R16 A17 S23 F60 N64	V15-S19 PolarHBondContact O-N 2.97Å; R16-S19 PolarHBondContact O-N 2.71Å; A17-S19 PolarHBondContact O-N 3.36Å; S19-S23 VanDerWaalsContact O-CB 3.24Å; S19-S23 WeakPolarHBondContact O-CB 3.3Å; S19-S23 PolarHBondContact O-N 3.06Å; S19-S23 PolarHBondContact O-OG 3.04Å; S19-F60 WeakPolarHBondContact OG-CE1 3.35Å; S19-F60 VanDerWaalsContact OG-CZ 3.27Å; S19-F60 WeakPolarHBondContact OG-CZ 3.28Å; S19-N64 WeakPolarHBondContact CB-OD1 3.46Å; S19-N64 PolarHBondContact OG-OD1 2.91Å
20	Q	91.5	Very high	90	Very high	109 Å²	109	51 Å²	51	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-67.5	-44.1	172.7	-74.2	172.8	5.6	0	0	111.6	R16 A17 L18 G22 S23 A24	R16-Q20 WeakPolarHBondContact O-CG 3.41Å; R16-Q20 PolarHBondContact O-N 2.93Å; A17-Q20 WeakPolarHBondContact O-CB 3.39Å; A17-Q20 PolarHBondContact O-N 2.91Å; A17-Q20 VanDerWaalsContact O-N 3.16Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.32Å; Q20-G22 VanDerWaalsContact C-N 3.35Å; Q20-G22 PolarHBondContact O-N 3.4Å; Q20-S23 CarbonylContact O-C 3.57Å; Q20-S23 PolarHBondContact O-N 3.36Å; Q20-A24 PolarHBondContact O-N 2.92Å
21	L	89.3	Confident	89.5	Confident	60 Å²	60	49.9 Å²	49.9	31%	0.314	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-43.8	174.4	-69.6	172.9	0	0	0	111.9	M1 A17 L18 S23 I61	M1-L21 HydrophobicContact SD-CD2 3.76Å; A17-L21 WeakPolarHBondContact O-CG 3.48Å; A17-L21 PolarHBondContact O-N 3.32Å; L18-L21 PolarHBondContact O-N 3.49Å; L21-S23 VanDerWaalsContact C-N 3.31Å; L21-S23 PolarHBondContact O-N 3.05Å; L21-I61 HydrophobicContact CB-CD1 4.34Å; L21-I61 HydrophobicContact CB-CG1 4.34Å; L21-I61 HydrophobicContact CB-CG2 4.42Å; L21-I61 HydrophobicContact CD1-CD1 4Å
22	G	88.1	Confident	89.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-35	172.9	0	0	0	0	0	113.1	L18 Q20 I61 K65	L18-G22 PolarHBondContact O-N 3.21Å; Q20-G22 VanDerWaalsContact C-N 3.35Å; Q20-G22 PolarHBondContact O-N 3.4Å; G22-I61 WeakPolarHBondContact CA-O 3.42Å; G22-K65 WeakPolarHBondContact O-CA 3.26Å
23	S	88.9	Confident	88.9	Confident	41 Å²	41	48.1 Å²	48.1	29%	0.287	26%	0.257	S	S	.	.	H	α-helix	trans	-82.7	-10.3	-177	-59.1	0	0	0	0	114.9	S19 Q20 L21 V25 T68	S19-S23 VanDerWaalsContact O-CB 3.24Å; S19-S23 WeakPolarHBondContact O-CB 3.3Å; S19-S23 PolarHBondContact O-N 3.06Å; S19-S23 PolarHBondContact O-OG 3.04Å; Q20-S23 CarbonylContact O-C 3.57Å; Q20-S23 PolarHBondContact O-N 3.36Å; L21-S23 VanDerWaalsContact C-N 3.31Å; L21-S23 PolarHBondContact O-N 3.05Å; S23-V25 PolarHBondContact O-N 3.48Å; S23-T68 PolarHBondContact OG-OG1 2.64Å
24	A	85.6	Confident	88.7	Confident	71 Å²	71	48 Å²	48	59%	0.587	25%	0.252	S	S	*	.			trans	-74.1	22.9	175.3	0	0	0	0	0	113.8	Q20	Q20-A24 PolarHBondContact O-N 2.92Å
25	V	85.8	Confident	88.3	Confident	15 Å²	15	51.6 Å²	51.6	9%	0.091	27%	0.266	C	S	.	.			trans	-83.9	125.3	174.3	58.7	0	0	0	0	110.6	S23 K65 T68 L69 K73	S23-V25 PolarHBondContact O-N 3.48Å; V25-K65 HydrophobicContact CB-CG 3.96Å; V25-K65 HydrophobicContact CG1-CG 4.22Å; V25-K65 HydrophobicContact CG2-CG 4.25Å; V25-T68 HydrophobicContact CG1-CG2 4.09Å; V25-L69 HydrophobicContact CG1-CB 4.22Å; V25-L69 HydrophobicContact CG2-CB 4.42Å; V25-L69 HydrophobicContact CG2-CD1 4.13Å; V25-K73 HydrophobicContact CG1-CG 4.22Å; V25-K73 VanDerWaalsContact O-CE 3.24Å; V25-K73 WeakPolarHBondContact O-CE 3.48Å; V25-K73 WeakPolarHBondContact O-CG 3.28Å
26	E	83.8	Confident	88.2	Confident	157 Å²	157	51.3 Å²	51.3	73%	0.734	26%	0.264	S	S	*	.			trans	-100.3	158.5	175.5	-57.9	-161.8	150.8	0	0	111.5
27	V	87.4	Confident	88	Confident	28 Å²	28	44.6 Å²	44.6	17%	0.17	24%	0.239	C	C	.	.			trans	-125.8	112.1	176.6	170.1	0	0	0	0	107.5	Y36 L69 K73 L74 H77	V27-Y36 HydrophobicContact CB-CE1 4.49Å; V27-Y36 HydrophobicContact CG1-CE1 4.34Å; V27-Y36 HydrophobicContact CG1-CE2 4.08Å; V27-Y36 HydrophobicContact CG2-CE1 4.17Å; V27-L69 HydrophobicContact CG2-CD1 3.55Å; V27-K73 HydrophobicContact CB-CB 4.44Å; V27-K73 HydrophobicContact CG2-CB 3.59Å; V27-L74 HydrophobicContact CG1-CD1 3.94Å; V27-L74 HydrophobicContact CG2-CB 4.49Å; V27-L74 HydrophobicContact CG2-CD1 4.44Å; V27-H77 HydrophobicContact CG1-CB 4.14Å
28	N	83.8	Confident	87.7	Confident	33 Å²	33	46 Å²	46	18%	0.176	24%	0.243	C	C	.	.			trans	-76	121	170.7	-175.7	-35.6	0	0	0	109.4	D30 I31 Y36 S388	N28-D30 PolarHBondContact O-N 2.83Å; N28-D30 PolarHBondContact OD1-N 3.37Å; N28-I31 HydrophobicContact CB-CD1 4.11Å; N28-I31 HydrophobicContact CB-CG1 4.22Å; N28-I31 PolarHBondContact O-N 3.43Å; N28-Y36 WeakPolarHBondContact CA-OH 3.31Å; N28-Y36 PolarHBondContact N-OH 3.04Å; N28-Y36 PolarHBondContact O-OH 3.24Å; N28-S388 PolarHBondContact ND2-O 3.03Å
29	E	86	Confident	87.5	Confident	67 Å²	67	46.7 Å²	46.7	31%	0.313	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.6	-177.4	-67.7	-70.2	155.6	0	0	114.9	H77 R78	E29-H77 PolarHBondContact O-CE1 2.97Å; E29-H77 WeakPolarHBondContact OE1-CA 3.39Å; E29-H77 WeakPolarHBondContact OE2-CA 3.41Å; E29-H77 IonicContact OE2-CE1 2.72Å; E29-H77 IonicContact OE2-CG 3.18Å; E29-H77 IonicContact OE2-ND1 3.38Å; E29-H77 PolarHBondContact OE2-ND1 3.4Å; E29-R78 PolarHBondContact O-NH2 3.31Å; E29-R78 VanDerWaalsContact OE2-CB 3.25Å; E29-R78 WeakPolarHBondContact OE2-CB 3.4Å; E29-R78 PolarHBondContact OE2-N 2.91Å
30	D	80.6	Confident	87.4	Confident	78 Å²	78	45.2 Å²	45.2	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-4.2	-179.9	-60.4	-73.9	0	0	0	112.6	N28 R78 R391	N28-D30 PolarHBondContact O-N 2.83Å; N28-D30 PolarHBondContact OD1-N 3.37Å; D30-R78 IonicContact OD1-NH1 3.49Å; D30-R391 VanDerWaalsContact CG-NE 3.35Å; D30-R391 IonicContact OD1-NE 2.79Å; D30-R391 IonicContact OD2-CZ 3.85Å; D30-R391 IonicContact OD2-NE 3.24Å; D30-R391 PolarHBondContact OD2-NE 2.68Å; D30-R391 IonicContact OD2-NH2 3.46Å; D30-R391 PolarHBondContact OD2-NH2 3.26Å
31	I	83.5	Confident	87.3	Confident	16 Å²	16	40.3 Å²	40.3	8%	0.082	22%	0.215	C	C	.	.	S	Bend	trans	-90	119	168.2	-63.3	179.8	0	0	0	108.5	N28 R35 Y36 H77 M358	N28-I31 HydrophobicContact CB-CD1 4.11Å; N28-I31 HydrophobicContact CB-CG1 4.22Å; N28-I31 PolarHBondContact O-N 3.43Å; I31-R35 HydrophobicContact CG2-CB 3.93Å; I31-R35 HydrophobicContact CG2-CG 4.27Å; I31-Y36 HydrophobicContact CB-CE2 3.84Å; I31-Y36 HydrophobicContact CG2-CD2 4.26Å; I31-Y36 HydrophobicContact CG2-CE2 3.68Å; I31-Y36 WeakPolarHBondContact O-CE2 3.28Å; I31-H77 PolarHBondContact O-NE2 3Å; I31-M358 HydrophobicContact CD1-CE 4.39Å
32	P	87.8	Confident	87.3	Confident	79 Å²	79	38.8 Å²	38.8	51%	0.513	21%	0.206	S	C	.	.			trans	-55.3	136.4	-176.1	-28.4	35.4	0	0	0	113.2	R34 R35	P32-R34 PolarHBondContact O-N 3.02Å; P32-R35 PolarHBondContact O-N 2.97Å
33	P	90.8	Very high	87.5	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-50.5	-36.8	-173.3	-29	31.3	0	0	0	114.4	R35 Y36 F37 L74 H77 D79 Y80 A83 I85	P33-R35 VanDerWaalsContact C-N 3.26Å; P33-R35 PolarHBondContact O-N 2.92Å; P33-Y36 WeakPolarHBondContact O-CB 3.48Å; P33-Y36 PolarHBondContact O-N 3.02Å; P33-F37 WeakPolarHBondContact O-CD2 3.37Å; P33-F37 PolarHBondContact O-N 2.94Å; P33-L74 HydrophobicContact CB-CD1 4.39Å; P33-H77 WeakPolarHBondContact CD-NE2 3.45Å; P33-D79 HydrophobicContact CG-CB 4.17Å; P33-Y80 HydrophobicContact CB-CD2 4.39Å; P33-A83 HydrophobicContact CB-CB 4.22Å; P33-A83 HydrophobicContact CG-CB 4.01Å; P33-I85 HydrophobicContact CB-CD1 3.86Å
34	R	89.3	Confident	87.8	Confident	58 Å²	58	38 Å²	38	22%	0.219	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-28.6	179.6	-169.9	173.1	-179.5	-151.3	-4.8	113.7	P32 F37 R38 I85 E87 E317	P32-R34 PolarHBondContact O-N 3.02Å; R34-F37 PolarHBondContact O-N 2.83Å; R34-R38 PolarHBondContact O-N 3.01Å; R34-I85 HydrophobicContact CB-CG1 4.4Å; R34-I85 HydrophobicContact CG-CG2 4.4Å; R34-E87 IonicContact CZ-OE1 3.8Å; R34-E87 IonicContact NE-OE1 2.72Å; R34-E87 PolarHBondContact NE-OE1 2.9Å; R34-E87 IonicContact NE-OE2 3.63Å; R34-E87 PolarHBondContact NE-OE2 2.89Å; R34-E87 VanDerWaalsContact NE-OE2 3.15Å; R34-E87 IonicContact NH2-OE1 3.54Å; R34-E87 PolarHBondContact NH2-OE1 3.16Å; R34-E317 IonicContact CZ-OE1 3.79Å; R34-E317 IonicContact NH1-OE1 3.87Å; R34-E317 PolarHBondContact NH1-OE1 3.2Å; R34-E317 IonicContact NH2-OE1 2.75Å; R34-E317 PolarHBondContact NH2-OE1 3.22Å
35	R	86.2	Confident	88.1	Confident	82 Å²	82	36.4 Å²	36.4	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-64.6	-44.4	176.3	-172.8	172	-73.6	-171.7	-6.3	111	I31 P32 P33 F37 R38 S39 E316 S354	I31-R35 HydrophobicContact CG2-CB 3.93Å; I31-R35 HydrophobicContact CG2-CG 4.27Å; P32-R35 PolarHBondContact O-N 2.97Å; P33-R35 VanDerWaalsContact C-N 3.26Å; P33-R35 PolarHBondContact O-N 2.92Å; R35-F37 VanDerWaalsContact C-N 3.28Å; R35-F37 PolarHBondContact O-N 3.42Å; R35-R38 PolarHBondContact O-N 3.4Å; R35-R38 VanDerWaalsContact O-N 3.08Å; R35-S39 PolarHBondContact O-N 3.2Å; R35-S39 PolarHBondContact O-OG 3.35Å; R35-E316 IonicContact NH2-OE1 3.2Å; R35-E316 PolarHBondContact NH2-OE1 2.93Å; R35-S354 PolarHBondContact NH1-OG 2.97Å
36	Y	91	Very high	88.4	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-38.4	174	-62.2	-88.1	0	0	0	112.4	V27 N28 I31 P33 R38 S39 G40 L69 F70 L74 M358	V27-Y36 HydrophobicContact CB-CE1 4.49Å; V27-Y36 HydrophobicContact CG1-CE1 4.34Å; V27-Y36 HydrophobicContact CG1-CE2 4.08Å; V27-Y36 HydrophobicContact CG2-CE1 4.17Å; N28-Y36 WeakPolarHBondContact CA-OH 3.31Å; N28-Y36 PolarHBondContact N-OH 3.04Å; N28-Y36 PolarHBondContact O-OH 3.24Å; I31-Y36 HydrophobicContact CB-CE2 3.84Å; I31-Y36 HydrophobicContact CG2-CD2 4.26Å; I31-Y36 HydrophobicContact CG2-CE2 3.68Å; I31-Y36 WeakPolarHBondContact O-CE2 3.28Å; P33-Y36 WeakPolarHBondContact O-CB 3.48Å; P33-Y36 PolarHBondContact O-N 3.02Å; Y36-R38 VanDerWaalsContact C-N 3.33Å; Y36-R38 PolarHBondContact O-N 3.46Å; Y36-S39 PolarHBondContact O-N 2.96Å; Y36-G40 PolarHBondContact O-N 2.99Å; Y36-L69 HydrophobicContact CD1-CD1 4.03Å; Y36-F70 WeakPolarHBondContact O-CZ 3.42Å; Y36-L74 HydrophobicContact CD2-CD1 3.58Å; Y36-L74 HydrophobicContact CE2-CD1 4.09Å; Y36-L74 HydrophobicContact CG-CD1 3.86Å; Y36-L74 HydrophobicContact CG-CD2 4.42Å; Y36-M358 HydrophobicContact CD1-CE 4.23Å; Y36-M358 HydrophobicContact CD1-SD 4.08Å; Y36-M358 HydrophobicContact CE1-CE 3.74Å; Y36-M358 HydrophobicContact CE1-SD 4.2Å
37	F	90.8	Very high	88.9	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-36.9	175.9	-81	-90.2	0	0	0	113	P33 R34 R35 F70 L74 Y80 I85 E87 K88 T91	P33-F37 WeakPolarHBondContact O-CD2 3.37Å; P33-F37 PolarHBondContact O-N 2.94Å; R34-F37 PolarHBondContact O-N 2.83Å; R35-F37 VanDerWaalsContact C-N 3.28Å; R35-F37 PolarHBondContact O-N 3.42Å; F37-F70 HydrophobicContact CB-CE1 4.42Å; F37-F70 HydrophobicContact CD1-CD1 4.17Å; F37-F70 AromaticContact CD1-CE1 3.64Å; F37-F70 HydrophobicContact CD1-CE1 3.64Å; F37-F70 HydrophobicContact CD1-CZ 4.41Å; F37-F70 HydrophobicContact CD2-CE1 4.01Å; F37-F70 AromaticContact CE1-CD1 3.79Å; F37-F70 HydrophobicContact CE1-CD1 3.79Å; F37-F70 AromaticContact CE1-CE1 3.74Å; F37-F70 HydrophobicContact CE1-CE1 3.74Å; F37-F70 HydrophobicContact CE2-CD1 4.35Å; F37-F70 HydrophobicContact CE2-CE1 4.12Å; F37-F70 AromaticContact CG-CE1 3.77Å; F37-F70 HydrophobicContact CG-CE1 3.77Å; F37-F70 AromaticContact CZ-CD1 3.89Å; F37-F70 HydrophobicContact CZ-CD1 3.89Å; F37-F70 AromaticContact CZ-CE1 3.99Å; F37-F70 HydrophobicContact CZ-CE1 3.99Å; F37-L74 HydrophobicContact CD2-CD2 3.85Å; F37-L74 HydrophobicContact CE2-CD2 3.44Å; F37-L74 VanDerWaalsContact CE2-CD2 3.44Å; F37-L74 HydrophobicContact CE2-CG 4.48Å; F37-L74 HydrophobicContact CZ-CD2 4.12Å; F37-Y80 HydrophobicContact CE2-CD2 4.42Å; F37-Y80 AromaticContact CE2-CE2 3.8Å; F37-Y80 HydrophobicContact CE2-CE2 3.8Å; F37-Y80 AromaticContact CZ-CE2 3.84Å; F37-Y80 HydrophobicContact CZ-CE2 3.84Å; F37-I85 HydrophobicContact CB-CG2 4.01Å; F37-I85 HydrophobicContact CD1-CG2 3.98Å; F37-I85 HydrophobicContact CD2-CD1 3.73Å; F37-I85 HydrophobicContact CD2-CG2 3.51Å; F37-I85 HydrophobicContact CE1-CG2 4.37Å; F37-I85 HydrophobicContact CE2-CD1 3.45Å; F37-I85 VanDerWaalsContact CE2-CD1 3.45Å; F37-I85 HydrophobicContact CE2-CG2 3.93Å; F37-I85 HydrophobicContact CG-CG2 3.54Å; F37-I85 HydrophobicContact CZ-CD1 4.29Å; F37-I85 HydrophobicContact CZ-CG2 4.35Å; F37-E87 HydrophobicContact CB-CB 4.15Å; F37-K88 HydrophobicContact CD1-CB 4.46Å; F37-K88 HydrophobicContact CE1-CB 3.94Å; F37-K88 HydrophobicContact CE1-CG 3.93Å; F37-K88 HydrophobicContact CZ-CB 4.29Å; F37-K88 HydrophobicContact CZ-CD 4.28Å; F37-K88 HydrophobicContact CZ-CG 3.98Å; F37-T91 HydrophobicContact CD1-CG2 3.82Å; F37-T91 WeakPolarHBondContact CD1-OG1 3.37Å; F37-T91 HydrophobicContact CE1-CG2 3.72Å
38	R	86.8	Confident	89.2	Confident	31 Å²	31	29 Å²	29	12%	0.117	14%	0.144	C	C	.	.	H	α-helix	trans	-69.5	-50.8	173.3	-65	-172.1	-171	142.5	-4.5	111.7	R34 R35 Y36 G40 V41 E316 F320	R34-R38 PolarHBondContact O-N 3.01Å; R35-R38 PolarHBondContact O-N 3.4Å; R35-R38 VanDerWaalsContact O-N 3.08Å; Y36-R38 VanDerWaalsContact C-N 3.33Å; Y36-R38 PolarHBondContact O-N 3.46Å; R38-G40 PolarHBondContact O-N 2.91Å; R38-V41 WeakPolarHBondContact O-CB 3.43Å; R38-V41 PolarHBondContact O-N 3.2Å; R38-E316 IonicContact CZ-OE2 2.84Å; R38-E316 IonicContact NH1-OE2 2.74Å; R38-E316 PolarHBondContact NH1-OE2 3.37Å; R38-E316 IonicContact NH2-OE2 3.08Å; R38-F320 HydrophobicContact CB-CD2 3.82Å; R38-F320 HydrophobicContact CB-CE2 3.78Å; R38-F320 HydrophobicContact CG-CD2 3.77Å; R38-F320 HydrophobicContact CG-CE2 3.88Å; R38-F320 HydrophobicContact CG-CG 4.25Å; R38-F320 HydrophobicContact CG-CZ 4.45Å
39	S	86.9	Confident	89.6	Confident	16 Å²	16	29.1 Å²	29.1	11%	0.112	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-28.6	176.8	-57.3	0	0	0	0	112.8	R35 Y36 V41 E42 I43	R35-S39 PolarHBondContact O-N 3.2Å; R35-S39 PolarHBondContact O-OG 3.35Å; Y36-S39 PolarHBondContact O-N 2.96Å; S39-V41 PolarHBondContact O-N 3.4Å; S39-E42 WeakPolarHBondContact O-CB 3.37Å; S39-E42 PolarHBondContact O-N 3.36Å; S39-I43 WeakPolarHBondContact O-CG1 3.43Å; S39-I43 PolarHBondContact O-N 3.47Å
40	G	90.9	Very high	90	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-33.4	172.6	0	0	0	0	0	113.8	Y36 R38 E42 I43 I44 Y66	Y36-G40 PolarHBondContact O-N 2.99Å; R38-G40 PolarHBondContact O-N 2.91Å; G40-E42 VanDerWaalsContact C-N 3.28Å; G40-E42 PolarHBondContact O-N 2.97Å; G40-I43 PolarHBondContact O-N 3.27Å; G40-I44 WeakPolarHBondContact O-CG2 3.27Å; G40-I44 PolarHBondContact O-N 2.95Å; G40-Y66 WeakPolarHBondContact O-CD2 3.36Å; G40-Y66 WeakPolarHBondContact O-CE2 3.47Å
41	V	89.8	Confident	90.6	Very high	6 Å²	6	23.8 Å²	23.8	4%	0.036	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-33.1	175.7	-177.6	0	0	0	0	111.1	R38 S39 I44 R45 F320 D324	R38-V41 WeakPolarHBondContact O-CB 3.43Å; R38-V41 PolarHBondContact O-N 3.2Å; S39-V41 PolarHBondContact O-N 3.4Å; V41-I44 WeakPolarHBondContact O-CG2 3.31Å; V41-R45 VanDerWaalsContact O-CB 3.26Å; V41-R45 WeakPolarHBondContact O-CB 3.42Å; V41-R45 PolarHBondContact O-N 3.31Å; V41-R45 VanDerWaalsContact O-N 3.09Å; V41-F320 HydrophobicContact CB-CE2 4.33Å; V41-F320 HydrophobicContact CB-CZ 4.48Å; V41-F320 HydrophobicContact CG2-CE2 4.23Å; V41-F320 HydrophobicContact CG2-CZ 4Å; V41-D324 WeakPolarHBondContact CG1-OD1 3.47Å
42	E	89.4	Confident	91	Very high	27 Å²	27	30.7 Å²	30.7	13%	0.126	15%	0.152	C	C	.	.	H	α-helix	trans	-72.8	-41.9	174.6	-53.6	179.3	131.7	0	0	111.4	S39 G40 R45 M46 I329 T330	S39-E42 WeakPolarHBondContact O-CB 3.37Å; S39-E42 PolarHBondContact O-N 3.36Å; G40-E42 VanDerWaalsContact C-N 3.28Å; G40-E42 PolarHBondContact O-N 2.97Å; E42-R45 PolarHBondContact O-N 2.95Å; E42-M46 WeakPolarHBondContact O-CG 3.48Å; E42-M46 PolarHBondContact O-N 2.95Å; E42-I329 HydrophobicContact CB-CG2 4.3Å; E42-T330 WeakPolarHBondContact OE1-CB 3.19Å; E42-T330 PolarHBondContact OE1-N 2.93Å; E42-T330 PolarHBondContact OE1-OG1 3.37Å
43	I	92.9	Very high	91.1	Very high	14 Å²	14	30.9 Å²	30.9	7%	0.072	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-50.1	176.2	-63.9	170.3	0	0	0	110.8	S39 G40 R45 M46 A47 L62 Y66 L69	S39-I43 WeakPolarHBondContact O-CG1 3.43Å; S39-I43 PolarHBondContact O-N 3.47Å; G40-I43 PolarHBondContact O-N 3.27Å; I43-R45 VanDerWaalsContact C-N 3.35Å; I43-R45 PolarHBondContact O-N 2.81Å; I43-M46 PolarHBondContact O-N 3.37Å; I43-A47 WeakPolarHBondContact O-CB 3.44Å; I43-A47 PolarHBondContact O-N 2.88Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-L62 HydrophobicContact CG2-CD2 4.5Å; I43-Y66 HydrophobicContact CB-CD2 4.44Å; I43-Y66 HydrophobicContact CG2-CD2 4.4Å; I43-L69 HydrophobicContact CD1-CD2 4.09Å
44	I	93.8	Very high	91	Very high	10 Å²	10	33 Å²	33	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-32.8	-179.7	-161.9	175.5	0	0	0	112	G40 V41 A47 S48 Y63 Y66 K94 I98 A99	G40-I44 WeakPolarHBondContact O-CG2 3.27Å; G40-I44 PolarHBondContact O-N 2.95Å; V41-I44 WeakPolarHBondContact O-CG2 3.31Å; I44-A47 WeakPolarHBondContact O-CB 3.44Å; I44-A47 PolarHBondContact O-N 3.43Å; I44-S48 PolarHBondContact O-N 3.23Å; I44-S48 PolarHBondContact O-OG 2.97Å; I44-Y63 HydrophobicContact CG1-CD1 4.45Å; I44-Y63 HydrophobicContact CG1-CE1 3.95Å; I44-Y66 HydrophobicContact CB-CD2 4.05Å; I44-Y66 HydrophobicContact CB-CE2 3.96Å; I44-Y66 HydrophobicContact CB-CG 4.42Å; I44-Y66 HydrophobicContact CD1-CD1 4.36Å; I44-Y66 HydrophobicContact CD1-CE1 3.87Å; I44-Y66 HydrophobicContact CG2-CE2 4.25Å; I44-K94 HydrophobicContact CD1-CB 3.95Å; I44-I98 HydrophobicContact CD1-CB 4.23Å; I44-I98 HydrophobicContact CD1-CG2 4.17Å; I44-A99 HydrophobicContact CD1-CB 4.49Å
45	R	92.8	Very high	91.2	Very high	39 Å²	39	32 Å²	32	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-43.4	174.4	-163.4	-175.7	-56.7	129.4	-4.9	111.7	V41 E42 I43 A47 S48 I49 D324 G327 L328	V41-R45 VanDerWaalsContact O-CB 3.26Å; V41-R45 WeakPolarHBondContact O-CB 3.42Å; V41-R45 PolarHBondContact O-N 3.31Å; V41-R45 VanDerWaalsContact O-N 3.09Å; E42-R45 PolarHBondContact O-N 2.95Å; I43-R45 VanDerWaalsContact C-N 3.35Å; I43-R45 PolarHBondContact O-N 2.81Å; R45-A47 VanDerWaalsContact C-N 3.34Å; R45-S48 PolarHBondContact O-N 3.1Å; R45-I49 HydrophobicContact CG-CD1 4.42Å; R45-I49 VanDerWaalsContact O-CG1 3.32Å; R45-I49 WeakPolarHBondContact O-CG1 3.38Å; R45-I49 PolarHBondContact O-N 3.05Å; R45-D324 IonicContact CZ-OD1 3.52Å; R45-D324 IonicContact NH2-OD1 3.35Å; R45-D324 PolarHBondContact NH2-OD1 2.97Å; R45-G327 WeakPolarHBondContact CD-O 3.32Å; R45-L328 VanDerWaalsContact NH1-C 3.34Å; R45-L328 PolarHBondContact NH1-O 2.89Å
46	M	91.9	Very high	91.5	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-38.5	172.7	-72	-173.1	-74.4	0	0	112.2	E42 I43 I49 Y50 L62 L289 F294 I329	E42-M46 WeakPolarHBondContact O-CG 3.48Å; E42-M46 PolarHBondContact O-N 2.95Å; I43-M46 PolarHBondContact O-N 3.37Å; M46-I49 PolarHBondContact O-N 2.95Å; M46-Y50 WeakPolarHBondContact O-CD2 3.35Å; M46-Y50 PolarHBondContact O-N 3.36Å; M46-L62 HydrophobicContact CB-CD1 3.43Å; M46-L62 VanDerWaalsContact CB-CD1 3.43Å; M46-L289 HydrophobicContact CB-CD2 3.95Å; M46-L289 HydrophobicContact CG-CD2 3.68Å; M46-L289 HydrophobicContact SD-CD2 4.09Å; M46-F294 HydrophobicContact SD-CE1 3.96Å; M46-F294 HydrophobicContact SD-CZ 3.87Å; M46-I329 HydrophobicContact CG-CD1 3.55Å; M46-I329 HydrophobicContact SD-CD1 4.34Å
47	A	94.8	Very high	91.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-41.7	176.5	0	0	0	0	0	112.5	I43 I44 R45 S51 L62 Y63	I43-A47 WeakPolarHBondContact O-CB 3.44Å; I43-A47 PolarHBondContact O-N 2.88Å; I44-A47 WeakPolarHBondContact O-CB 3.44Å; I44-A47 PolarHBondContact O-N 3.43Å; R45-A47 VanDerWaalsContact C-N 3.34Å; A47-S51 WeakPolarHBondContact O-CB 3.36Å; A47-S51 PolarHBondContact O-N 2.98Å; A47-S51 VanDerWaalsContact O-N 3.09Å; A47-L62 HydrophobicContact CB-CB 3.68Å; A47-Y63 HydrophobicContact CB-CD1 3.79Å; A47-Y63 HydrophobicContact CB-CD2 3.86Å; A47-Y63 HydrophobicContact CB-CE1 3.68Å; A47-Y63 HydrophobicContact CB-CE2 3.74Å; A47-Y63 HydrophobicContact CB-CG 3.88Å
48	S	93.7	Very high	91.7	Very high	33 Å²	33	32.9 Å²	32.9	23%	0.231	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-47.8	171.9	-65.2	0	0	0	0	112.1	I44 R45 Y50 S51 E52 Y63	I44-S48 PolarHBondContact O-N 3.23Å; I44-S48 PolarHBondContact O-OG 2.97Å; R45-S48 PolarHBondContact O-N 3.1Å; S48-Y50 PolarHBondContact O-N 2.92Å; S48-S51 CarbonylContact O-C 3.6Å; S48-S51 WeakPolarHBondContact O-CA 3.44Å; S48-S51 WeakPolarHBondContact O-CB 3.22Å; S48-S51 PolarHBondContact O-N 2.72Å; S48-E52 WeakPolarHBondContact O-CG 3.45Å; S48-E52 PolarHBondContact O-N 3.5Å; S48-Y63 WeakPolarHBondContact CA-OH 3.44Å; S48-Y63 PolarHBondContact N-OH 2.73Å; S48-Y63 PolarHBondContact OG-OH 3.34Å
49	I	92.9	Very high	92.1	Very high	35 Å²	35	31.4 Å²	31.4	18%	0.179	17%	0.17	C	C	.	.	H	α-helix	trans	-56.2	-49.6	178.7	-69.5	164.3	0	0	0	110.9	R45 M46 S51 E52 E53 L289	R45-I49 HydrophobicContact CG-CD1 4.42Å; R45-I49 VanDerWaalsContact O-CG1 3.32Å; R45-I49 WeakPolarHBondContact O-CG1 3.38Å; R45-I49 PolarHBondContact O-N 3.05Å; M46-I49 PolarHBondContact O-N 2.95Å; I49-S51 VanDerWaalsContact C-N 3.28Å; I49-S51 PolarHBondContact O-N 3.28Å; I49-E52 PolarHBondContact O-N 2.98Å; I49-E52 VanDerWaalsContact O-N 3.15Å; I49-E53 HydrophobicContact CG2-CG 4.37Å; I49-E53 WeakPolarHBondContact O-CB 3.49Å; I49-E53 WeakPolarHBondContact O-CG 3.34Å; I49-E53 PolarHBondContact O-N 3.47Å; I49-L289 HydrophobicContact CD1-CB 4.44Å; I49-L289 HydrophobicContact CG2-CG 4.46Å
50	Y	93.6	Very high	92.5	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-33.2	176.6	-73.1	-56.7	0	0	0	113.1	M46 S48 G54 N55 H58 L62 R255 L289 N292	M46-Y50 WeakPolarHBondContact O-CD2 3.35Å; M46-Y50 PolarHBondContact O-N 3.36Å; S48-Y50 PolarHBondContact O-N 2.92Å; Y50-G54 PolarHBondContact O-N 2.94Å; Y50-N55 HydrophobicContact CD1-CB 3.87Å; Y50-N55 WeakPolarHBondContact CD1-ND2 3.39Å; Y50-N55 HydrophobicContact CG-CB 4.44Å; Y50-N55 CarbonylContact O-C 3.58Å; Y50-N55 PolarHBondContact O-N 2.92Å; Y50-H58 HydrophobicContact CD1-CB 3.89Å; Y50-H58 HydrophobicContact CD2-CB 3.67Å; Y50-H58 HydrophobicContact CE1-CB 3.98Å; Y50-H58 HydrophobicContact CE2-CB 3.8Å; Y50-H58 HydrophobicContact CG-CB 3.7Å; Y50-L62 HydrophobicContact CD2-CD1 3.85Å; Y50-L62 HydrophobicContact CE2-CD1 3.77Å; Y50-R255 WeakPolarHBondContact OH-CD 3.31Å; Y50-R255 PolarHBondContact OH-NH1 2.83Å; Y50-L289 HydrophobicContact CD2-CD2 4.36Å; Y50-L289 HydrophobicContact CE1-CD2 4.25Å; Y50-L289 HydrophobicContact CE2-CD2 3.75Å; Y50-N292 HydrophobicContact CE1-CB 4.39Å; Y50-N292 WeakPolarHBondContact CE1-OD1 3.22Å; Y50-N292 PolarHBondContact OH-OD1 2.93Å
51	S	92.6	Very high	92.7	Very high	31 Å²	31	32.1 Å²	32.1	22%	0.217	17%	0.172	C	C	.	.	H	α-helix	trans	-70.4	-30.9	175.5	-171	0	0	0	0	112.7	A47 S48 I49	A47-S51 WeakPolarHBondContact O-CB 3.36Å; A47-S51 PolarHBondContact O-N 2.98Å; A47-S51 VanDerWaalsContact O-N 3.09Å; S48-S51 CarbonylContact O-C 3.6Å; S48-S51 WeakPolarHBondContact O-CA 3.44Å; S48-S51 WeakPolarHBondContact O-CB 3.22Å; S48-S51 PolarHBondContact O-N 2.72Å; I49-S51 VanDerWaalsContact C-N 3.28Å; I49-S51 PolarHBondContact O-N 3.28Å
52	E	92	Very high	93	Very high	160 Å²	160	32.8 Å²	32.8	75%	0.748	18%	0.175	S	C	*	.	H	α-helix	trans	-79.2	-33	175.7	-71	165.6	-151.7	0	0	111.7	S48 I49 G54	S48-E52 WeakPolarHBondContact O-CG 3.45Å; S48-E52 PolarHBondContact O-N 3.5Å; I49-E52 PolarHBondContact O-N 2.98Å; I49-E52 VanDerWaalsContact O-N 3.15Å; E52-G54 VanDerWaalsContact C-N 3.28Å; E52-G54 PolarHBondContact O-N 3.31Å
53	E	91.3	Very high	93.3	Very high	83 Å²	83	31.6 Å²	31.6	39%	0.388	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.6	173.3	-68.4	-172.6	157.2	0	0	113.9	I49 N55 M290 R291	I49-E53 HydrophobicContact CG2-CG 4.37Å; I49-E53 WeakPolarHBondContact O-CB 3.49Å; I49-E53 WeakPolarHBondContact O-CG 3.34Å; I49-E53 PolarHBondContact O-N 3.47Å; E53-N55 VanDerWaalsContact C-N 3.28Å; E53-N55 PolarHBondContact O-N 3.35Å; E53-M290 WeakPolarHBondContact OE1-CA 3.4Å; E53-R291 VanDerWaalsContact CD-N 3.26Å; E53-R291 PolarHBondContact OE1-N 2.85Å; E53-R291 WeakPolarHBondContact OE2-CA 3.25Å; E53-R291 PolarHBondContact OE2-N 2.61Å
54	G	88.8	Confident	93.4	Very high	49 Å²	49	32 Å²	32	51%	0.505	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	8.4	-178.4	0	0	0	0	0	115.1	Y50 E52 I56	Y50-G54 PolarHBondContact O-N 2.94Å; E52-G54 VanDerWaalsContact C-N 3.28Å; E52-G54 PolarHBondContact O-N 3.31Å; G54-I56 PolarHBondContact O-N 3.47Å
55	N	91.6	Very high	93.5	Very high	36 Å²	36	33.8 Å²	33.8	19%	0.193	18%	0.18	C	C	.	.			trans	-80.7	69.3	173.2	-173.2	-10.4	0	0	0	110.4	Y50 E53 E57 H58 A59	Y50-N55 HydrophobicContact CD1-CB 3.87Å; Y50-N55 WeakPolarHBondContact CD1-ND2 3.39Å; Y50-N55 HydrophobicContact CG-CB 4.44Å; Y50-N55 CarbonylContact O-C 3.58Å; Y50-N55 PolarHBondContact O-N 2.92Å; E53-N55 VanDerWaalsContact C-N 3.28Å; E53-N55 PolarHBondContact O-N 3.35Å; N55-E57 PolarHBondContact O-N 3.5Å; N55-H58 PolarHBondContact ND2-ND1 3.39Å; N55-H58 VanDerWaalsContact ND2-ND1 3.16Å; N55-H58 PolarHBondContact O-N 3.43Å; N55-H58 WeakPolarHBondContact OD1-CB 3.23Å; N55-H58 PolarHBondContact OD1-N 3.37Å; N55-H58 PolarHBondContact OD1-ND1 2.89Å; N55-A59 WeakPolarHBondContact O-CB 3.38Å; N55-A59 PolarHBondContact O-N 3.04Å
56	I	93.1	Very high	93.6	Very high	14 Å²	14	32 Å²	32	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-29.7	-173.7	57.7	172.6	0	0	0	113.8	G54 F60 L106 E109 L110	G54-I56 PolarHBondContact O-N 3.47Å; I56-F60 WeakPolarHBondContact O-CB 3.37Å; I56-F60 PolarHBondContact O-N 3.02Å; I56-L106 HydrophobicContact CB-CD2 3.88Å; I56-L106 HydrophobicContact CG2-CD2 3.68Å; I56-E109 HydrophobicContact CD1-CG 4.03Å; I56-L110 HydrophobicContact CB-CD2 4.42Å; I56-L110 HydrophobicContact CD1-CD2 3.71Å; I56-L110 HydrophobicContact CD1-CG 4.1Å; I56-L110 HydrophobicContact CG1-CD2 3.76Å; I56-L110 HydrophobicContact CG1-CG 4.33Å
57	E	93.3	Very high	93.8	Very high	31 Å²	31	32.5 Å²	32.5	15%	0.145	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-52.2	177.5	-63.7	-172.1	175	0	0	111.5	H4 L18 N55 F60 I61 L110 Y114	H4-E57 IonicContact CE1-OE2 3.64Å; H4-E57 PolarHBondContact CE1-OE2 3Å; H4-E57 IonicContact ND1-OE2 3.36Å; H4-E57 PolarHBondContact ND1-OE2 2.96Å; L18-E57 HydrophobicContact CD1-CB 4.36Å; L18-E57 HydrophobicContact CD1-CG 4.22Å; L18-E57 HydrophobicContact CD2-CB 4.24Å; N55-E57 PolarHBondContact O-N 3.5Å; E57-F60 PolarHBondContact O-N 3.22Å; E57-I61 WeakPolarHBondContact O-CG1 3.5Å; E57-I61 PolarHBondContact O-N 3.47Å; E57-L110 HydrophobicContact CG-CD2 3.71Å; E57-Y114 WeakPolarHBondContact OE1-CE1 3.46Å; E57-Y114 PolarHBondContact OE1-OH 2.73Å
58	H	92.4	Very high	93.8	Very high	61 Å²	61	33.2 Å²	33.2	28%	0.282	18%	0.18	S	C	.	.	H	α-helix	trans	-69	-36	180	-69.8	68.1	0	0	0	111.6	Y50 N55 I61 L62	Y50-H58 HydrophobicContact CD1-CB 3.89Å; Y50-H58 HydrophobicContact CD2-CB 3.67Å; Y50-H58 HydrophobicContact CE1-CB 3.98Å; Y50-H58 HydrophobicContact CE2-CB 3.8Å; Y50-H58 HydrophobicContact CG-CB 3.7Å; N55-H58 PolarHBondContact ND2-ND1 3.39Å; N55-H58 VanDerWaalsContact ND2-ND1 3.16Å; N55-H58 PolarHBondContact O-N 3.43Å; N55-H58 WeakPolarHBondContact OD1-CB 3.23Å; N55-H58 PolarHBondContact OD1-N 3.37Å; N55-H58 PolarHBondContact OD1-ND1 2.89Å; H58-I61 PolarHBondContact O-N 3.13Å; H58-L62 WeakPolarHBondContact O-CG 3.46Å; H58-L62 PolarHBondContact O-N 3.39Å
59	A	95.6	Very high	93.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-50	171.6	0	0	0	0	0	111.2	N55 L62 Y63 L106	N55-A59 WeakPolarHBondContact O-CB 3.38Å; N55-A59 PolarHBondContact O-N 3.04Å; A59-L62 PolarHBondContact O-N 3.2Å; A59-Y63 HydrophobicContact CB-CE2 4.48Å; A59-Y63 WeakPolarHBondContact O-CD2 3.46Å; A59-Y63 PolarHBondContact O-N 2.99Å; A59-L106 HydrophobicContact CB-CD1 3.66Å; A59-L106 HydrophobicContact CB-CD2 4.42Å
60	F	96.4	Very high	93.9	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-44.7	179	-178.8	-110	0	0	0	112.2	V15 L18 S19 I56 E57 L62 Y63 N64 A103 L106 K107 L110	V15-F60 HydrophobicContact CG1-CE1 4.01Å; V15-F60 HydrophobicContact CG1-CZ 4.09Å; L18-F60 HydrophobicContact CB-CD1 3.7Å; L18-F60 HydrophobicContact CB-CE1 3.92Å; L18-F60 HydrophobicContact CD1-CD1 4.08Å; S19-F60 WeakPolarHBondContact OG-CE1 3.35Å; S19-F60 VanDerWaalsContact OG-CZ 3.27Å; S19-F60 WeakPolarHBondContact OG-CZ 3.28Å; I56-F60 WeakPolarHBondContact O-CB 3.37Å; I56-F60 PolarHBondContact O-N 3.02Å; E57-F60 PolarHBondContact O-N 3.22Å; F60-L62 VanDerWaalsContact C-N 3.32Å; F60-L62 PolarHBondContact O-N 3.44Å; F60-Y63 PolarHBondContact O-N 2.98Å; F60-N64 VanDerWaalsContact CD2-ND2 3.29Å; F60-N64 WeakPolarHBondContact CD2-ND2 3.41Å; F60-N64 WeakPolarHBondContact CE1-ND2 3.33Å; F60-N64 WeakPolarHBondContact CE2-ND2 3.29Å; F60-N64 WeakPolarHBondContact CZ-ND2 3.44Å; F60-N64 WeakPolarHBondContact O-CB 3.49Å; F60-N64 PolarHBondContact O-N 3.13Å; F60-N64 PolarHBondContact O-ND2 2.96Å; F60-A103 WeakPolarHBondContact CD2-O 3.42Å; F60-A103 VanDerWaalsContact CE2-O 3.31Å; F60-A103 WeakPolarHBondContact CE2-O 3.44Å; F60-L106 HydrophobicContact CB-CB 4.2Å; F60-L106 HydrophobicContact CD2-CB 4.2Å; F60-K107 HydrophobicContact CD2-CB 4.35Å; F60-K107 HydrophobicContact CE2-CB 3.69Å; F60-K107 HydrophobicContact CE2-CD 4.44Å; F60-K107 HydrophobicContact CZ-CB 4.2Å; F60-K107 HydrophobicContact CZ-CD 4.43Å; F60-L110 HydrophobicContact CB-CD1 3.58Å; F60-L110 HydrophobicContact CD1-CD1 3.68Å; F60-L110 HydrophobicContact CD2-CD1 4.27Å; F60-L110 HydrophobicContact CE1-CD1 4.43Å; F60-L110 HydrophobicContact CG-CD1 3.58Å
61	I	94.7	Very high	93.9	Very high	29 Å²	29	35 Å²	35	15%	0.149	19%	0.186	C	C	.	.	H	α-helix	trans	-54.6	-47.9	174.3	-70.5	168.1	0	0	0	110.6	L18 L21 G22 E57 H58 N64 K65	L18-I61 HydrophobicContact CB-CG1 4.12Å; L18-I61 HydrophobicContact CD2-CD1 3.77Å; L18-I61 HydrophobicContact CD2-CG1 4.02Å; L21-I61 HydrophobicContact CB-CD1 4.34Å; L21-I61 HydrophobicContact CB-CG1 4.34Å; L21-I61 HydrophobicContact CB-CG2 4.42Å; L21-I61 HydrophobicContact CD1-CD1 4Å; G22-I61 WeakPolarHBondContact CA-O 3.42Å; E57-I61 WeakPolarHBondContact O-CG1 3.5Å; E57-I61 PolarHBondContact O-N 3.47Å; H58-I61 PolarHBondContact O-N 3.13Å; I61-N64 PolarHBondContact O-N 2.9Å; I61-K65 WeakPolarHBondContact O-CB 3.47Å; I61-K65 PolarHBondContact O-N 2.99Å
62	L	94.8	Very high	94	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-73	-35.2	-177.1	-68.7	-170	0	0	0	113.9	I43 M46 A47 Y50 H58 A59 F60 K65 Y66	I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-L62 HydrophobicContact CG2-CD2 4.5Å; M46-L62 HydrophobicContact CB-CD1 3.43Å; M46-L62 VanDerWaalsContact CB-CD1 3.43Å; A47-L62 HydrophobicContact CB-CB 3.68Å; Y50-L62 HydrophobicContact CD2-CD1 3.85Å; Y50-L62 HydrophobicContact CE2-CD1 3.77Å; H58-L62 WeakPolarHBondContact O-CG 3.46Å; H58-L62 PolarHBondContact O-N 3.39Å; A59-L62 PolarHBondContact O-N 3.2Å; F60-L62 VanDerWaalsContact C-N 3.32Å; F60-L62 PolarHBondContact O-N 3.44Å; L62-K65 HydrophobicContact CD2-CD 4.32Å; L62-K65 PolarHBondContact O-N 2.89Å; L62-Y66 WeakPolarHBondContact O-CB 3.46Å; L62-Y66 PolarHBondContact O-N 3.36Å
63	Y	96.9	Very high	94.1	Very high	3 Å²	3	32 Å²	32	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-39.9	170.8	-73.8	-61.6	0	0	0	111.6	I44 A47 S48 A59 F60 Y66 I67 I98 A99 K102 L106	I44-Y63 HydrophobicContact CG1-CD1 4.45Å; I44-Y63 HydrophobicContact CG1-CE1 3.95Å; A47-Y63 HydrophobicContact CB-CD1 3.79Å; A47-Y63 HydrophobicContact CB-CD2 3.86Å; A47-Y63 HydrophobicContact CB-CE1 3.68Å; A47-Y63 HydrophobicContact CB-CE2 3.74Å; A47-Y63 HydrophobicContact CB-CG 3.88Å; S48-Y63 WeakPolarHBondContact CA-OH 3.44Å; S48-Y63 PolarHBondContact N-OH 2.73Å; S48-Y63 PolarHBondContact OG-OH 3.34Å; A59-Y63 HydrophobicContact CB-CE2 4.48Å; A59-Y63 WeakPolarHBondContact O-CD2 3.46Å; A59-Y63 PolarHBondContact O-N 2.99Å; F60-Y63 PolarHBondContact O-N 2.98Å; Y63-Y66 PolarHBondContact O-N 2.92Å; Y63-I67 WeakPolarHBondContact O-CB 3.35Å; Y63-I67 WeakPolarHBondContact O-CD1 3.22Å; Y63-I67 VanDerWaalsContact O-CG1 3.26Å; Y63-I67 WeakPolarHBondContact O-CG1 3.29Å; Y63-I67 PolarHBondContact O-N 3.2Å; Y63-I98 HydrophobicContact CE1-CG2 4.21Å; Y63-A99 HydrophobicContact CD1-CB 3.99Å; Y63-K102 HydrophobicContact CD1-CB 4.43Å; Y63-K102 HydrophobicContact CD2-CB 3.99Å; Y63-K102 HydrophobicContact CE1-CB 4.1Å; Y63-K102 HydrophobicContact CE2-CB 3.65Å; Y63-K102 HydrophobicContact CE2-CG 4.27Å; Y63-K102 HydrophobicContact CG-CB 4.38Å; Y63-L106 HydrophobicContact CD2-CD1 3.6Å; Y63-L106 HydrophobicContact CE2-CD1 3.77Å
64	N	95.6	Very high	94.1	Very high	22 Å²	22	28 Å²	28	12%	0.118	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-45.5	171.2	-80.4	-109.3	0	0	0	110.8	S19 F60 I61 Y66 I67 T68	S19-N64 WeakPolarHBondContact CB-OD1 3.46Å; S19-N64 PolarHBondContact OG-OD1 2.91Å; F60-N64 VanDerWaalsContact CD2-ND2 3.29Å; F60-N64 WeakPolarHBondContact CD2-ND2 3.41Å; F60-N64 WeakPolarHBondContact CE1-ND2 3.33Å; F60-N64 WeakPolarHBondContact CE2-ND2 3.29Å; F60-N64 WeakPolarHBondContact CZ-ND2 3.44Å; F60-N64 WeakPolarHBondContact O-CB 3.49Å; F60-N64 PolarHBondContact O-N 3.13Å; F60-N64 PolarHBondContact O-ND2 2.96Å; I61-N64 PolarHBondContact O-N 2.9Å; N64-Y66 VanDerWaalsContact C-N 3.35Å; N64-Y66 PolarHBondContact O-N 2.71Å; N64-I67 PolarHBondContact O-N 3.23Å; N64-T68 WeakPolarHBondContact O-CB 3.33Å; N64-T68 PolarHBondContact O-N 3Å; N64-T68 PolarHBondContact O-OG1 2.97Å
65	K	94.6	Very high	94.3	Very high	48 Å²	48	27.8 Å²	27.8	21%	0.209	14%	0.139	C	C	.	.	H	α-helix	trans	-57.5	-45.9	177	-168.8	177.5	-177.4	179.5	0	112	G22 V25 I61 L62 L69	G22-K65 WeakPolarHBondContact O-CA 3.26Å; V25-K65 HydrophobicContact CB-CG 3.96Å; V25-K65 HydrophobicContact CG1-CG 4.22Å; V25-K65 HydrophobicContact CG2-CG 4.25Å; I61-K65 WeakPolarHBondContact O-CB 3.47Å; I61-K65 PolarHBondContact O-N 2.99Å; L62-K65 HydrophobicContact CD2-CD 4.32Å; L62-K65 PolarHBondContact O-N 2.89Å; K65-L69 WeakPolarHBondContact O-CB 3.34Å; K65-L69 PolarHBondContact O-N 3.49Å
66	Y	95.5	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-46.9	177	-174.6	-101.4	0	0	0	112.1	G40 I43 I44 L62 Y63 N64 F70 K94 L95 A99	G40-Y66 WeakPolarHBondContact O-CD2 3.36Å; G40-Y66 WeakPolarHBondContact O-CE2 3.47Å; I43-Y66 HydrophobicContact CB-CD2 4.44Å; I43-Y66 HydrophobicContact CG2-CD2 4.4Å; I44-Y66 HydrophobicContact CB-CD2 4.05Å; I44-Y66 HydrophobicContact CB-CE2 3.96Å; I44-Y66 HydrophobicContact CB-CG 4.42Å; I44-Y66 HydrophobicContact CD1-CD1 4.36Å; I44-Y66 HydrophobicContact CD1-CE1 3.87Å; I44-Y66 HydrophobicContact CG2-CE2 4.25Å; L62-Y66 WeakPolarHBondContact O-CB 3.46Å; L62-Y66 PolarHBondContact O-N 3.36Å; Y63-Y66 PolarHBondContact O-N 2.92Å; N64-Y66 VanDerWaalsContact C-N 3.35Å; N64-Y66 PolarHBondContact O-N 2.71Å; Y66-F70 AromaticContact CD2-CD2 3.84Å; Y66-F70 HydrophobicContact CD2-CD2 3.84Å; Y66-F70 AromaticContact CD2-CE2 3.6Å; Y66-F70 HydrophobicContact CD2-CE2 3.6Å; Y66-F70 HydrophobicContact CE1-CD2 4.5Å; Y66-F70 AromaticContact CE2-CD2 3.78Å; Y66-F70 HydrophobicContact CE2-CD2 3.78Å; Y66-F70 AromaticContact CE2-CE2 3.43Å; Y66-F70 HydrophobicContact CE2-CE2 3.43Å; Y66-F70 VanDerWaalsContact CE2-CE2 3.43Å; Y66-F70 HydrophobicContact CE2-CZ 4.49Å; Y66-F70 HydrophobicContact CG-CD2 4.23Å; Y66-F70 HydrophobicContact CG-CE2 4.42Å; Y66-F70 VanDerWaalsContact O-CD2 3.28Å; Y66-F70 WeakPolarHBondContact O-CD2 3.49Å; Y66-F70 PolarHBondContact O-N 3.25Å; Y66-K94 WeakPolarHBondContact OH-CB 3.34Å; Y66-L95 HydrophobicContact CD1-CD2 3.61Å; Y66-L95 HydrophobicContact CD1-CG 4.24Å; Y66-L95 HydrophobicContact CE1-CD2 3.55Å; Y66-L95 HydrophobicContact CE1-CG 3.65Å; Y66-A99 HydrophobicContact CD1-CB 3.62Å; Y66-A99 HydrophobicContact CE1-CB 3.96Å
67	I	95.8	Very high	94.4	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.118	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-54.6	177.9	-69.9	163.1	0	0	0	110.7	Y63 N64 L69 F70 I71 L95 A99 F100 A103	Y63-I67 WeakPolarHBondContact O-CB 3.35Å; Y63-I67 WeakPolarHBondContact O-CD1 3.22Å; Y63-I67 VanDerWaalsContact O-CG1 3.26Å; Y63-I67 WeakPolarHBondContact O-CG1 3.29Å; Y63-I67 PolarHBondContact O-N 3.2Å; N64-I67 PolarHBondContact O-N 3.23Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 3.39Å; I67-F70 PolarHBondContact O-N 2.93Å; I67-I71 HydrophobicContact CG2-CG1 4.29Å; I67-I71 VanDerWaalsContact O-CB 3.24Å; I67-I71 WeakPolarHBondContact O-CB 3.34Å; I67-I71 WeakPolarHBondContact O-CG1 3.44Å; I67-I71 PolarHBondContact O-N 3.02Å; I67-L95 HydrophobicContact CG1-CD2 4.12Å; I67-A99 HydrophobicContact CD1-CB 4.32Å; I67-A99 HydrophobicContact CG1-CB 4.04Å; I67-F100 HydrophobicContact CD1-CD1 3.8Å; I67-F100 HydrophobicContact CD1-CE1 4.05Å; I67-F100 HydrophobicContact CD1-CG 4.24Å; I67-F100 HydrophobicContact CG1-CD1 4.34Å; I67-F100 HydrophobicContact CG1-CE1 4.26Å; I67-F100 HydrophobicContact CG1-CZ 4.42Å; I67-F100 HydrophobicContact CG2-CD1 4.43Å; I67-F100 HydrophobicContact CG2-CE1 3.58Å; I67-F100 HydrophobicContact CG2-CE2 4.49Å; I67-F100 HydrophobicContact CG2-CZ 3.62Å; I67-A103 HydrophobicContact CD1-CB 3.82Å
68	T	94.6	Very high	94.5	Very high	16 Å²	16	37.6 Å²	37.6	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-40.3	-177.1	-64.8	0	0	0	0	111.6	S23 V25 N64 E72 K73	S23-T68 PolarHBondContact OG-OG1 2.64Å; V25-T68 HydrophobicContact CG1-CG2 4.09Å; N64-T68 WeakPolarHBondContact O-CB 3.33Å; N64-T68 PolarHBondContact O-N 3Å; N64-T68 PolarHBondContact O-OG1 2.97Å; T68-E72 HydrophobicContact CG2-CB 4.26Å; T68-E72 WeakPolarHBondContact O-CA 3.22Å; T68-E72 WeakPolarHBondContact O-CB 3.44Å; T68-E72 PolarHBondContact O-N 3.1Å; T68-K73 HydrophobicContact CG2-CD 4.34Å; T68-K73 HydrophobicContact CG2-CG 4.09Å; T68-K73 PolarHBondContact O-N 2.85Å
69	L	94.1	Very high	94.4	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	17%	0.174	C	C	.	.	I	π-helix	trans	-56.7	-54.5	174.6	177.3	59.3	0	0	0	111.8	V25 V27 Y36 I43 K65 I67 L74	V25-L69 HydrophobicContact CG1-CB 4.22Å; V25-L69 HydrophobicContact CG2-CB 4.42Å; V25-L69 HydrophobicContact CG2-CD1 4.13Å; V27-L69 HydrophobicContact CG2-CD1 3.55Å; Y36-L69 HydrophobicContact CD1-CD1 4.03Å; I43-L69 HydrophobicContact CD1-CD2 4.09Å; K65-L69 WeakPolarHBondContact O-CB 3.34Å; K65-L69 PolarHBondContact O-N 3.49Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 3.39Å; L69-L74 HydrophobicContact CD1-CB 4.37Å; L69-L74 WeakPolarHBondContact O-CB 3.48Å; L69-L74 PolarHBondContact O-N 2.62Å
70	F	95.1	Very high	94.2	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.035	18%	0.181	C	C	.	.	I	π-helix	trans	-86.3	-21.2	-171.9	-70.9	-68.3	0	0	0	115.5	Y36 F37 Y66 I67 L74 P75 T91 L95	Y36-F70 WeakPolarHBondContact O-CZ 3.42Å; F37-F70 HydrophobicContact CB-CE1 4.42Å; F37-F70 HydrophobicContact CD1-CD1 4.17Å; F37-F70 AromaticContact CD1-CE1 3.64Å; F37-F70 HydrophobicContact CD1-CE1 3.64Å; F37-F70 HydrophobicContact CD1-CZ 4.41Å; F37-F70 HydrophobicContact CD2-CE1 4.01Å; F37-F70 AromaticContact CE1-CD1 3.79Å; F37-F70 HydrophobicContact CE1-CD1 3.79Å; F37-F70 AromaticContact CE1-CE1 3.74Å; F37-F70 HydrophobicContact CE1-CE1 3.74Å; F37-F70 HydrophobicContact CE2-CD1 4.35Å; F37-F70 HydrophobicContact CE2-CE1 4.12Å; F37-F70 AromaticContact CG-CE1 3.77Å; F37-F70 HydrophobicContact CG-CE1 3.77Å; F37-F70 AromaticContact CZ-CD1 3.89Å; F37-F70 HydrophobicContact CZ-CD1 3.89Å; F37-F70 AromaticContact CZ-CE1 3.99Å; F37-F70 HydrophobicContact CZ-CE1 3.99Å; Y66-F70 AromaticContact CD2-CD2 3.84Å; Y66-F70 HydrophobicContact CD2-CD2 3.84Å; Y66-F70 AromaticContact CD2-CE2 3.6Å; Y66-F70 HydrophobicContact CD2-CE2 3.6Å; Y66-F70 HydrophobicContact CE1-CD2 4.5Å; Y66-F70 AromaticContact CE2-CD2 3.78Å; Y66-F70 HydrophobicContact CE2-CD2 3.78Å; Y66-F70 AromaticContact CE2-CE2 3.43Å; Y66-F70 HydrophobicContact CE2-CE2 3.43Å; Y66-F70 VanDerWaalsContact CE2-CE2 3.43Å; Y66-F70 HydrophobicContact CE2-CZ 4.49Å; Y66-F70 HydrophobicContact CG-CD2 4.23Å; Y66-F70 HydrophobicContact CG-CE2 4.42Å; Y66-F70 VanDerWaalsContact O-CD2 3.28Å; Y66-F70 WeakPolarHBondContact O-CD2 3.49Å; Y66-F70 PolarHBondContact O-N 3.25Å; I67-F70 PolarHBondContact O-N 2.93Å; F70-L74 HydrophobicContact CD1-CD2 3.73Å; F70-L74 HydrophobicContact CE1-CD2 3.65Å; F70-P75 WeakPolarHBondContact O-CD 3.39Å; F70-P75 WeakPolarHBondContact O-CG 3.45Å; F70-T91 HydrophobicContact CD1-CG2 3.82Å; F70-T91 HydrophobicContact CD2-CG2 3.95Å; F70-T91 HydrophobicContact CE1-CG2 3.97Å; F70-T91 HydrophobicContact CE2-CG2 4.1Å; F70-T91 HydrophobicContact CG-CG2 3.82Å; F70-T91 HydrophobicContact CZ-CG2 4.11Å; F70-L95 HydrophobicContact CB-CD1 3.78Å; F70-L95 HydrophobicContact CB-CD2 4.42Å
71	I	93.9	Very high	93.9	Very high	95 Å²	95	48 Å²	48	49%	0.487	22%	0.221	S	C	.	.	I	π-helix	trans	-98	-37.6	-179.9	-59.3	-63.7	0	0	0	112.1	I67 L95 F100	I67-I71 HydrophobicContact CG2-CG1 4.29Å; I67-I71 VanDerWaalsContact O-CB 3.24Å; I67-I71 WeakPolarHBondContact O-CB 3.34Å; I67-I71 WeakPolarHBondContact O-CG1 3.44Å; I67-I71 PolarHBondContact O-N 3.02Å; I71-L95 HydrophobicContact CD1-CD1 4.02Å; I71-L95 HydrophobicContact CG1-CD1 4.47Å; I71-L95 HydrophobicContact CG1-CD2 4.36Å; I71-F100 HydrophobicContact CD1-CE2 4.44Å; I71-F100 HydrophobicContact CG1-CE2 4.32Å; I71-F100 HydrophobicContact CG1-CZ 4.14Å
72	E	93.6	Very high	93.7	Very high	76 Å²	76	51 Å²	51	36%	0.355	24%	0.244	S	C	.	.	I	π-helix	trans	-113.5	-39.3	-168.3	-163.2	-109.4	111.4	0	0	114	T68 K76	T68-E72 HydrophobicContact CG2-CB 4.26Å; T68-E72 WeakPolarHBondContact O-CA 3.22Å; T68-E72 WeakPolarHBondContact O-CB 3.44Å; T68-E72 PolarHBondContact O-N 3.1Å; E72-K76 WeakPolarHBondContact O-CD 3.37Å; E72-K76 WeakPolarHBondContact O-CE 3.47Å; E72-K76 PolarHBondContact O-NZ 3.12Å; E72-K76 VanDerWaalsContact O-NZ 3.17Å; E72-K76 IonicContact OE1-NZ 3.15Å; E72-K76 PolarHBondContact OE1-NZ 3.3Å
73	K	93.6	Very high	93.4	Very high	52 Å²	52	51.7 Å²	51.7	23%	0.226	25%	0.253	C	S	.	.	I	π-helix	trans	-89.9	-66.9	-177.5	-50.1	-56.3	-170.5	-154	0	112.7	V25 V27 T68 P75 K76	V25-K73 HydrophobicContact CG1-CG 4.22Å; V25-K73 VanDerWaalsContact O-CE 3.24Å; V25-K73 WeakPolarHBondContact O-CE 3.48Å; V25-K73 WeakPolarHBondContact O-CG 3.28Å; V27-K73 HydrophobicContact CB-CB 4.44Å; V27-K73 HydrophobicContact CG2-CB 3.59Å; T68-K73 HydrophobicContact CG2-CD 4.34Å; T68-K73 HydrophobicContact CG2-CG 4.09Å; T68-K73 PolarHBondContact O-N 2.85Å; K73-P75 VanDerWaalsContact C-CD 3.42Å; K73-P75 VanDerWaalsContact C-N 3.33Å; K73-K76 VanDerWaalsContact O-CB 3.3Å; K73-K76 WeakPolarHBondContact O-CB 3.44Å; K73-K76 PolarHBondContact O-N 3.47Å
74	L	92.4	Very high	92.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-58.7	-32	-170.9	-167.7	63.8	0	0	0	114.4	V27 P33 Y36 F37 L69 F70 K76 H77 Y80	V27-L74 HydrophobicContact CG1-CD1 3.94Å; V27-L74 HydrophobicContact CG2-CB 4.49Å; V27-L74 HydrophobicContact CG2-CD1 4.44Å; P33-L74 HydrophobicContact CB-CD1 4.39Å; Y36-L74 HydrophobicContact CD2-CD1 3.58Å; Y36-L74 HydrophobicContact CE2-CD1 4.09Å; Y36-L74 HydrophobicContact CG-CD1 3.86Å; Y36-L74 HydrophobicContact CG-CD2 4.42Å; F37-L74 HydrophobicContact CD2-CD2 3.85Å; F37-L74 HydrophobicContact CE2-CD2 3.44Å; F37-L74 VanDerWaalsContact CE2-CD2 3.44Å; F37-L74 HydrophobicContact CE2-CG 4.48Å; F37-L74 HydrophobicContact CZ-CD2 4.12Å; L69-L74 HydrophobicContact CD1-CB 4.37Å; L69-L74 WeakPolarHBondContact O-CB 3.48Å; L69-L74 PolarHBondContact O-N 2.62Å; F70-L74 HydrophobicContact CD1-CD2 3.73Å; F70-L74 HydrophobicContact CE1-CD2 3.65Å; L74-K76 PolarHBondContact O-N 2.77Å; L74-H77 HydrophobicContact CD1-CB 4.38Å; L74-H77 VanDerWaalsContact O-CB 3.32Å; L74-H77 WeakPolarHBondContact O-CB 3.35Å; L74-H77 PolarHBondContact O-N 2.66Å; L74-H77 VanDerWaalsContact O-N 3.16Å; L74-Y80 HydrophobicContact CD2-CE2 4.35Å; L74-Y80 HydrophobicContact CG-CD2 3.98Å; L74-Y80 HydrophobicContact CG-CE2 4.12Å; L74-Y80 WeakPolarHBondContact O-CD2 3.44Å
75	P	93.6	Very high	92.5	Very high	43 Å²	43	57.2 Å²	57.2	28%	0.279	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-64.7	-14.1	173.8	-25.9	37.7	0	0	0	115.8	F70 K73 Y80	F70-P75 WeakPolarHBondContact O-CD 3.39Å; F70-P75 WeakPolarHBondContact O-CG 3.45Å; K73-P75 VanDerWaalsContact C-CD 3.42Å; K73-P75 VanDerWaalsContact C-N 3.33Å; P75-Y80 HydrophobicContact CB-CD1 4.3Å; P75-Y80 HydrophobicContact CB-CE1 3.92Å; P75-Y80 HydrophobicContact CG-CE1 4.3Å
76	K	93.6	Very high	92.1	Very high	140 Å²	140	59 Å²	59	61%	0.609	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-84.8	-20.6	175.7	-61.1	169.1	177.5	164.9	0	112.8	E72 K73 L74 R78	E72-K76 WeakPolarHBondContact O-CD 3.37Å; E72-K76 WeakPolarHBondContact O-CE 3.47Å; E72-K76 PolarHBondContact O-NZ 3.12Å; E72-K76 VanDerWaalsContact O-NZ 3.17Å; E72-K76 IonicContact OE1-NZ 3.15Å; E72-K76 PolarHBondContact OE1-NZ 3.3Å; K73-K76 VanDerWaalsContact O-CB 3.3Å; K73-K76 WeakPolarHBondContact O-CB 3.44Å; K73-K76 PolarHBondContact O-N 3.47Å; L74-K76 PolarHBondContact O-N 2.77Å; K76-R78 PolarHBondContact O-N 3.02Å
77	H	93.4	Very high	91.7	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.019	31%	0.309	C	S	.	.	S	Bend	trans	-59.8	130.6	-174.8	179.3	-3.7	0	0	0	111.5	V27 E29 I31 P33 L74 D79 Y80	V27-H77 HydrophobicContact CG1-CB 4.14Å; E29-H77 PolarHBondContact O-CE1 2.97Å; E29-H77 WeakPolarHBondContact OE1-CA 3.39Å; E29-H77 WeakPolarHBondContact OE2-CA 3.41Å; E29-H77 IonicContact OE2-CE1 2.72Å; E29-H77 IonicContact OE2-CG 3.18Å; E29-H77 IonicContact OE2-ND1 3.38Å; E29-H77 PolarHBondContact OE2-ND1 3.4Å; I31-H77 PolarHBondContact O-NE2 3Å; P33-H77 WeakPolarHBondContact CD-NE2 3.45Å; L74-H77 HydrophobicContact CD1-CB 4.38Å; L74-H77 VanDerWaalsContact O-CB 3.32Å; L74-H77 WeakPolarHBondContact O-CB 3.35Å; L74-H77 PolarHBondContact O-N 2.66Å; L74-H77 VanDerWaalsContact O-N 3.16Å; H77-D79 IonicContact CE1-OD2 2.72Å; H77-D79 PolarHBondContact O-N 3.3Å; H77-Y80 WeakPolarHBondContact O-CB 3.49Å; H77-Y80 PolarHBondContact O-N 3.03Å
78	R	93.7	Very high	91.4	Very high	144 Å²	144	62.3 Å²	62.3	54%	0.543	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36.2	-50.5	-179.9	-176.4	-173.3	65.7	-133.2	-10.7	113.4	E29 D30 K76	E29-R78 PolarHBondContact O-NH2 3.31Å; E29-R78 VanDerWaalsContact OE2-CB 3.25Å; E29-R78 WeakPolarHBondContact OE2-CB 3.4Å; E29-R78 PolarHBondContact OE2-N 2.91Å; D30-R78 IonicContact OD1-NH1 3.49Å; K76-R78 PolarHBondContact O-N 3.02Å
79	D	91.4	Very high	91.2	Very high	51 Å²	51	70.4 Å²	70.4	27%	0.273	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	0.3	-170.7	-52.5	-34.2	0	0	0	113.1	P33 H77 K81 S82 A83	P33-D79 HydrophobicContact CG-CB 4.17Å; H77-D79 IonicContact CE1-OD2 2.72Å; H77-D79 PolarHBondContact O-N 3.3Å; D79-K81 PolarHBondContact O-N 2.93Å; D79-K81 VanDerWaalsContact O-N 3.17Å; D79-S82 PolarHBondContact O-N 3.07Å; D79-S82 PolarHBondContact O-OG 3.26Å; D79-S82 VanDerWaalsContact O-OG 3.11Å; D79-A83 VanDerWaalsContact O-CB 3.27Å; D79-A83 WeakPolarHBondContact O-CB 3.25Å; D79-A83 PolarHBondContact O-N 3.34Å
80	Y	91.9	Very high	91	Very high	37 Å²	37	73.4 Å²	73.4	15%	0.145	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.8	-177.3	-177.7	-101.7	0	0	0	114.3	P33 F37 L74 P75 H77 K88	P33-Y80 HydrophobicContact CB-CD2 4.39Å; F37-Y80 HydrophobicContact CE2-CD2 4.42Å; F37-Y80 AromaticContact CE2-CE2 3.8Å; F37-Y80 HydrophobicContact CE2-CE2 3.8Å; F37-Y80 AromaticContact CZ-CE2 3.84Å; F37-Y80 HydrophobicContact CZ-CE2 3.84Å; L74-Y80 HydrophobicContact CD2-CE2 4.35Å; L74-Y80 HydrophobicContact CG-CD2 3.98Å; L74-Y80 HydrophobicContact CG-CE2 4.12Å; L74-Y80 WeakPolarHBondContact O-CD2 3.44Å; P75-Y80 HydrophobicContact CB-CD1 4.3Å; P75-Y80 HydrophobicContact CB-CE1 3.92Å; P75-Y80 HydrophobicContact CG-CE1 4.3Å; H77-Y80 WeakPolarHBondContact O-CB 3.49Å; H77-Y80 PolarHBondContact O-N 3.03Å; Y80-K88 VanDerWaalsContact CZ-NZ 3.29Å; Y80-K88 VanDerWaalsContact OH-CE 3.26Å; Y80-K88 WeakPolarHBondContact OH-CE 3.38Å; Y80-K88 PolarHBondContact OH-NZ 3.39Å
81	K	90	Very high	90.9	Very high	194 Å²	194	73.1 Å²	73.1	84%	0.843	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-24.3	179.2	-65.9	178.1	-176.8	171.4	0	113.3	D79	D79-K81 PolarHBondContact O-N 2.93Å; D79-K81 VanDerWaalsContact O-N 3.17Å
82	S	89.8	Confident	90.8	Very high	91 Å²	91	71.7 Å²	71.7	64%	0.636	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-24	-179.2	46.6	0	0	0	0	113	D79 V84	D79-S82 PolarHBondContact O-N 3.07Å; D79-S82 PolarHBondContact O-OG 3.26Å; D79-S82 VanDerWaalsContact O-OG 3.11Å; S82-V84 PolarHBondContact O-N 3.47Å
83	A	88.1	Confident	90.8	Very high	34 Å²	34	73.2 Å²	73.2	28%	0.281	37%	0.367	S	S	.	.			trans	-65	130.7	179.4	0	0	0	0	0	112.9	P33 D79 I85	P33-A83 HydrophobicContact CB-CB 4.22Å; P33-A83 HydrophobicContact CG-CB 4.01Å; D79-A83 VanDerWaalsContact O-CB 3.27Å; D79-A83 WeakPolarHBondContact O-CB 3.25Å; D79-A83 PolarHBondContact O-N 3.34Å; A83-I85 HydrophobicContact CB-CD1 4Å; A83-I85 HydrophobicContact CB-CG1 3.9Å
84	V	87.4	Confident	90.9	Very high	125 Å²	125	72.6 Å²	72.6	76%	0.758	36%	0.364	S	S	*	.			trans	-81.1	118.6	167.1	-179	0	0	0	0	108.4	S82	S82-V84 PolarHBondContact O-N 3.47Å
85	I	86.9	Confident	91	Very high	16 Å²	16	72.9 Å²	72.9	8%	0.082	37%	0.366	C	S	.	.			trans	-133.7	88.9	-173.2	-49.2	179.8	0	0	0	109.4	P33 R34 F37 A83 E87 K88	P33-I85 HydrophobicContact CB-CD1 3.86Å; R34-I85 HydrophobicContact CB-CG1 4.4Å; R34-I85 HydrophobicContact CG-CG2 4.4Å; F37-I85 HydrophobicContact CB-CG2 4.01Å; F37-I85 HydrophobicContact CD1-CG2 3.98Å; F37-I85 HydrophobicContact CD2-CD1 3.73Å; F37-I85 HydrophobicContact CD2-CG2 3.51Å; F37-I85 HydrophobicContact CE1-CG2 4.37Å; F37-I85 HydrophobicContact CE2-CD1 3.45Å; F37-I85 VanDerWaalsContact CE2-CD1 3.45Å; F37-I85 HydrophobicContact CE2-CG2 3.93Å; F37-I85 HydrophobicContact CG-CG2 3.54Å; F37-I85 HydrophobicContact CZ-CD1 4.29Å; F37-I85 HydrophobicContact CZ-CG2 4.35Å; A83-I85 HydrophobicContact CB-CD1 4Å; A83-I85 HydrophobicContact CB-CG1 3.9Å; I85-E87 WeakPolarHBondContact CG2-OE2 3.5Å; I85-E87 PolarHBondContact O-N 2.77Å; I85-K88 HydrophobicContact CB-CB 4.08Å; I85-K88 HydrophobicContact CB-CD 4.45Å; I85-K88 HydrophobicContact CG2-CB 3.91Å; I85-K88 WeakPolarHBondContact O-CB 3.32Å; I85-K88 PolarHBondContact O-N 3Å
86	P	85.9	Confident	91	Very high	86 Å²	86	78 Å²	78	56%	0.558	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.4	176.8	-27.1	35.5	0	0	0	113.6	K88	P86-K88 PolarHBondContact O-N 2.97Å
87	E	86.8	Confident	91.1	Very high	27 Å²	27	77.2 Å²	77.2	13%	0.126	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-12.2	-174.7	-52.9	82.5	179.2	0	0	113.2	R34 F37 I85 K89 D90 T91	R34-E87 IonicContact CZ-OE1 3.8Å; R34-E87 IonicContact NE-OE1 2.72Å; R34-E87 PolarHBondContact NE-OE1 2.9Å; R34-E87 IonicContact NE-OE2 3.63Å; R34-E87 PolarHBondContact NE-OE2 2.89Å; R34-E87 VanDerWaalsContact NE-OE2 3.15Å; R34-E87 IonicContact NH2-OE1 3.54Å; R34-E87 PolarHBondContact NH2-OE1 3.16Å; F37-E87 HydrophobicContact CB-CB 4.15Å; I85-E87 WeakPolarHBondContact CG2-OE2 3.5Å; I85-E87 PolarHBondContact O-N 2.77Å; E87-K89 PolarHBondContact O-N 2.63Å; E87-D90 PolarHBondContact O-N 2.98Å; E87-T91 WeakPolarHBondContact O-CB 3.47Å; E87-T91 PolarHBondContact O-N 3.35Å; E87-T91 PolarHBondContact O-OG1 3.4Å
88	K	89.4	Confident	91.2	Very high	65 Å²	65	80.2 Å²	80.2	28%	0.283	40%	0.398	S	S	.	.	H	α-helix	trans	-63.8	-36.1	-173.9	-172.6	166.7	-177.5	165.1	0	113.3	F37 Y80 I85 P86 V92	F37-K88 HydrophobicContact CD1-CB 4.46Å; F37-K88 HydrophobicContact CE1-CB 3.94Å; F37-K88 HydrophobicContact CE1-CG 3.93Å; F37-K88 HydrophobicContact CZ-CB 4.29Å; F37-K88 HydrophobicContact CZ-CD 4.28Å; F37-K88 HydrophobicContact CZ-CG 3.98Å; Y80-K88 VanDerWaalsContact CZ-NZ 3.29Å; Y80-K88 VanDerWaalsContact OH-CE 3.26Å; Y80-K88 WeakPolarHBondContact OH-CE 3.38Å; Y80-K88 PolarHBondContact OH-NZ 3.39Å; I85-K88 HydrophobicContact CB-CB 4.08Å; I85-K88 HydrophobicContact CB-CD 4.45Å; I85-K88 HydrophobicContact CG2-CB 3.91Å; I85-K88 WeakPolarHBondContact O-CB 3.32Å; I85-K88 PolarHBondContact O-N 3Å; P86-K88 PolarHBondContact O-N 2.97Å; K88-V92 WeakPolarHBondContact O-CG2 3.47Å; K88-V92 PolarHBondContact O-N 3.07Å
89	K	90.3	Very high	91.3	Very high	186 Å²	186	73.4 Å²	73.4	81%	0.809	37%	0.372	S	S	*	.	H	α-helix	trans	-65.9	-45.3	179.1	-176.6	-177.2	176.2	-174.8	0	111.5	E87 K93	E87-K89 PolarHBondContact O-N 2.63Å; K89-K93 PolarHBondContact O-N 3.38Å; K89-K93 VanDerWaalsContact O-N 3.12Å
90	D	90.4	Very high	91.6	Very high	68 Å²	68	75.6 Å²	75.6	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-69.5	-39.2	178.1	178.6	62.6	0	0	0	111.6	E87 V92 K93 K94	E87-D90 PolarHBondContact O-N 2.98Å; D90-V92 PolarHBondContact O-N 2.77Å; D90-K93 CarbonylContact O-C 3.46Å; D90-K93 WeakPolarHBondContact O-CA 3.49Å; D90-K93 VanDerWaalsContact O-CB 3.29Å; D90-K93 WeakPolarHBondContact O-CB 3.42Å; D90-K93 PolarHBondContact O-N 3.4Å; D90-K94 PolarHBondContact O-N 3.47Å; D90-K94 WeakPolarHBondContact OD2-CD 3.49Å; D90-K94 WeakPolarHBondContact OD2-CE 3.32Å; D90-K94 IonicContact OD2-NZ 3.63Å; D90-K94 PolarHBondContact OD2-NZ 2.96Å
91	T	92.2	Very high	91.8	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.012	39%	0.392	C	S	.	.	H	α-helix	trans	-60.9	-43.2	174.5	-61	0	0	0	0	112.2	F37 F70 E87 K93 K94 L95	F37-T91 HydrophobicContact CD1-CG2 3.82Å; F37-T91 WeakPolarHBondContact CD1-OG1 3.37Å; F37-T91 HydrophobicContact CE1-CG2 3.72Å; F70-T91 HydrophobicContact CD1-CG2 3.82Å; F70-T91 HydrophobicContact CD2-CG2 3.95Å; F70-T91 HydrophobicContact CE1-CG2 3.97Å; F70-T91 HydrophobicContact CE2-CG2 4.1Å; F70-T91 HydrophobicContact CG-CG2 3.82Å; F70-T91 HydrophobicContact CZ-CG2 4.11Å; E87-T91 WeakPolarHBondContact O-CB 3.47Å; E87-T91 PolarHBondContact O-N 3.35Å; E87-T91 PolarHBondContact O-OG1 3.4Å; T91-K93 VanDerWaalsContact C-N 3.28Å; T91-K93 PolarHBondContact O-N 2.77Å; T91-K94 PolarHBondContact O-N 3.11Å; T91-L95 HydrophobicContact CG2-CD1 4.3Å; T91-L95 WeakPolarHBondContact O-CB 3.19Å; T91-L95 WeakPolarHBondContact O-CG 3.36Å; T91-L95 PolarHBondContact O-N 2.74Å
92	V	92.7	Very high	92.1	Very high	64 Å²	64	70.3 Å²	70.3	39%	0.388	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-30.5	173.8	171.1	0	0	0	0	112.4	K88 D90 K96	K88-V92 WeakPolarHBondContact O-CG2 3.47Å; K88-V92 PolarHBondContact O-N 3.07Å; D90-V92 PolarHBondContact O-N 2.77Å; V92-K96 WeakPolarHBondContact O-CG 3.39Å; V92-K96 PolarHBondContact O-N 3.09Å
93	K	94.5	Very high	92.4	Very high	109 Å²	109	66.5 Å²	66.5	47%	0.474	34%	0.337	S	S	.	.	H	α-helix	trans	-67.4	-54.6	172	-170.3	-170	168.8	-173.5	0	110.8	K89 D90 T91 L95 K96 E97	K89-K93 PolarHBondContact O-N 3.38Å; K89-K93 VanDerWaalsContact O-N 3.12Å; D90-K93 CarbonylContact O-C 3.46Å; D90-K93 WeakPolarHBondContact O-CA 3.49Å; D90-K93 VanDerWaalsContact O-CB 3.29Å; D90-K93 WeakPolarHBondContact O-CB 3.42Å; D90-K93 PolarHBondContact O-N 3.4Å; T91-K93 VanDerWaalsContact C-N 3.28Å; T91-K93 PolarHBondContact O-N 2.77Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.14Å; K93-K96 PolarHBondContact O-N 2.9Å; K93-E97 WeakPolarHBondContact CE-OE1 3.18Å; K93-E97 WeakPolarHBondContact CE-OE2 3.39Å; K93-E97 HydrophobicContact CG-CG 4.34Å; K93-E97 WeakPolarHBondContact CG-OE1 3.43Å; K93-E97 IonicContact NZ-OE2 3.72Å; K93-E97 PolarHBondContact O-N 3.31Å
94	K	94	Very high	92.9	Very high	39 Å²	39	70 Å²	70	17%	0.17	35%	0.348	C	S	.	.	H	α-helix	trans	-56.9	-38.3	178.1	-75.8	172.7	173.6	161.8	0	112.8	I44 Y66 D90 T91 I98 A99	I44-K94 HydrophobicContact CD1-CB 3.95Å; Y66-K94 WeakPolarHBondContact OH-CB 3.34Å; D90-K94 PolarHBondContact O-N 3.47Å; D90-K94 WeakPolarHBondContact OD2-CD 3.49Å; D90-K94 WeakPolarHBondContact OD2-CE 3.32Å; D90-K94 IonicContact OD2-NZ 3.63Å; D90-K94 PolarHBondContact OD2-NZ 2.96Å; T91-K94 PolarHBondContact O-N 3.11Å; K94-I98 HydrophobicContact CG-CD1 4.29Å; K94-I98 WeakPolarHBondContact O-CA 3.48Å; K94-I98 WeakPolarHBondContact O-CB 3.23Å; K94-I98 PolarHBondContact O-N 3.26Å; K94-A99 PolarHBondContact O-N 3.47Å
95	L	95.1	Very high	93.3	Very high	6 Å²	6	68.7 Å²	68.7	3%	0.031	33%	0.334	C	S	.	.	I	π-helix	trans	-56.8	-51	171.9	-80	162.6	0	0	0	112.1	Y66 I67 F70 I71 T91 K93 A99 F100	Y66-L95 HydrophobicContact CD1-CD2 3.61Å; Y66-L95 HydrophobicContact CD1-CG 4.24Å; Y66-L95 HydrophobicContact CE1-CD2 3.55Å; Y66-L95 HydrophobicContact CE1-CG 3.65Å; I67-L95 HydrophobicContact CG1-CD2 4.12Å; F70-L95 HydrophobicContact CB-CD1 3.78Å; F70-L95 HydrophobicContact CB-CD2 4.42Å; I71-L95 HydrophobicContact CD1-CD1 4.02Å; I71-L95 HydrophobicContact CG1-CD1 4.47Å; I71-L95 HydrophobicContact CG1-CD2 4.36Å; T91-L95 HydrophobicContact CG2-CD1 4.3Å; T91-L95 WeakPolarHBondContact O-CB 3.19Å; T91-L95 WeakPolarHBondContact O-CG 3.36Å; T91-L95 PolarHBondContact O-N 2.74Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.14Å; L95-A99 PolarHBondContact O-N 2.85Å; L95-F100 VanDerWaalsContact O-CD2 3.26Å; L95-F100 WeakPolarHBondContact O-CD2 3.35Å; L95-F100 PolarHBondContact O-N 2.73Å
96	K	94.5	Very high	93.8	Very high	150 Å²	150	68 Å²	68	65%	0.652	33%	0.33	S	S	*	.	I	π-helix	trans	-75.9	-41.5	-174.7	-70	180	177.5	-172.1	0	113.9	V92 K93 P101	V92-K96 WeakPolarHBondContact O-CG 3.39Å; V92-K96 PolarHBondContact O-N 3.09Å; K93-K96 PolarHBondContact O-N 2.9Å; K96-P101 VanDerWaalsContact O-CD 3.31Å; K96-P101 WeakPolarHBondContact O-CD 3.19Å
97	E	95.5	Very high	94.3	Very high	124 Å²	124	67 Å²	67	58%	0.579	32%	0.317	S	S	*	.	I	π-helix	trans	-91.4	-21.3	-171.5	-67.3	178.2	-154.9	0	0	113.3	K93	K93-E97 WeakPolarHBondContact CE-OE1 3.18Å; K93-E97 WeakPolarHBondContact CE-OE2 3.39Å; K93-E97 HydrophobicContact CG-CG 4.34Å; K93-E97 WeakPolarHBondContact CG-OE1 3.43Å; K93-E97 IonicContact NZ-OE2 3.72Å; K93-E97 PolarHBondContact O-N 3.31Å
98	I	95.1	Very high	94.8	Very high	67 Å²	67	68.6 Å²	68.6	34%	0.344	33%	0.334	S	S	.	.	I	π-helix	trans	-123.7	-62	-176.5	-50.3	178.2	0	0	0	111	I44 Y63 K94 P101 K102	I44-I98 HydrophobicContact CD1-CB 4.23Å; I44-I98 HydrophobicContact CD1-CG2 4.17Å; Y63-I98 HydrophobicContact CE1-CG2 4.21Å; K94-I98 HydrophobicContact CG-CD1 4.29Å; K94-I98 WeakPolarHBondContact O-CA 3.48Å; K94-I98 WeakPolarHBondContact O-CB 3.23Å; K94-I98 PolarHBondContact O-N 3.26Å; I98-P101 WeakPolarHBondContact O-CD 3.28Å; I98-K102 WeakPolarHBondContact O-CB 3.4Å; I98-K102 PolarHBondContact O-N 2.81Å
99	A	95.5	Very high	95.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.342	C	S	.	.	I	π-helix	trans	-67.8	-47.5	-165.3	0	0	0	0	0	113.6	I44 Y63 Y66 I67 K94 L95 A103	I44-A99 HydrophobicContact CD1-CB 4.49Å; Y63-A99 HydrophobicContact CD1-CB 3.99Å; Y66-A99 HydrophobicContact CD1-CB 3.62Å; Y66-A99 HydrophobicContact CE1-CB 3.96Å; I67-A99 HydrophobicContact CD1-CB 4.32Å; I67-A99 HydrophobicContact CG1-CB 4.04Å; K94-A99 PolarHBondContact O-N 3.47Å; L95-A99 PolarHBondContact O-N 2.85Å; A99-A103 WeakPolarHBondContact O-CB 3.45Å; A99-A103 PolarHBondContact O-N 3.14Å
100	F	96.8	Very high	95.4	Very high	97 Å²	97	61.2 Å²	61.2	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-48.8	176.5	-81.9	-65.9	0	0	0	112.6	I67 I71 L95 A103 E104	I67-F100 HydrophobicContact CD1-CD1 3.8Å; I67-F100 HydrophobicContact CD1-CE1 4.05Å; I67-F100 HydrophobicContact CD1-CG 4.24Å; I67-F100 HydrophobicContact CG1-CD1 4.34Å; I67-F100 HydrophobicContact CG1-CE1 4.26Å; I67-F100 HydrophobicContact CG1-CZ 4.42Å; I67-F100 HydrophobicContact CG2-CD1 4.43Å; I67-F100 HydrophobicContact CG2-CE1 3.58Å; I67-F100 HydrophobicContact CG2-CE2 4.49Å; I67-F100 HydrophobicContact CG2-CZ 3.62Å; I71-F100 HydrophobicContact CD1-CE2 4.44Å; I71-F100 HydrophobicContact CG1-CE2 4.32Å; I71-F100 HydrophobicContact CG1-CZ 4.14Å; L95-F100 VanDerWaalsContact O-CD2 3.26Å; L95-F100 WeakPolarHBondContact O-CD2 3.35Å; L95-F100 PolarHBondContact O-N 2.73Å; F100-A103 PolarHBondContact O-N 3.16Å; F100-E104 PolarHBondContact O-N 3.22Å
101	P	97.5	Very high	95.7	Very high	64 Å²	64	60.4 Å²	60.4	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-56	-49.7	173.8	-28.8	36	0	0	0	113.6	K96 I98 A103 E104 E105	K96-P101 VanDerWaalsContact O-CD 3.31Å; K96-P101 WeakPolarHBondContact O-CD 3.19Å; I98-P101 WeakPolarHBondContact O-CD 3.28Å; P101-A103 PolarHBondContact O-N 3.35Å; P101-E104 PolarHBondContact O-N 3.31Å; P101-E105 WeakPolarHBondContact O-CB 3.5Å; P101-E105 PolarHBondContact O-N 2.74Å
102	K	96.6	Very high	95.9	Very high	57 Å²	57	68.3 Å²	68.3	25%	0.248	33%	0.333	C	S	.	.	H	α-helix	trans	-67	-35.6	-179.2	-80.4	-76.4	165.6	-162.6	0	113	Y63 I98 E105 L106	Y63-K102 HydrophobicContact CD1-CB 4.43Å; Y63-K102 HydrophobicContact CD2-CB 3.99Å; Y63-K102 HydrophobicContact CE1-CB 4.1Å; Y63-K102 HydrophobicContact CE2-CB 3.65Å; Y63-K102 HydrophobicContact CE2-CG 4.27Å; Y63-K102 HydrophobicContact CG-CB 4.38Å; I98-K102 WeakPolarHBondContact O-CB 3.4Å; I98-K102 PolarHBondContact O-N 2.81Å; K102-E105 VanDerWaalsContact CD-OE2 3.29Å; K102-E105 WeakPolarHBondContact CD-OE2 3.41Å; K102-E105 WeakPolarHBondContact CE-OE2 3.49Å; K102-E105 IonicContact NZ-OE1 2.64Å; K102-E105 PolarHBondContact NZ-OE1 2.63Å; K102-E105 IonicContact NZ-OE2 2.71Å; K102-E105 PolarHBondContact NZ-OE2 2.88Å; K102-L106 VanDerWaalsContact O-CB 3.29Å; K102-L106 WeakPolarHBondContact O-CB 3.38Å; K102-L106 WeakPolarHBondContact O-CD1 3.5Å; K102-L106 WeakPolarHBondContact O-CG 3.5Å; K102-L106 PolarHBondContact O-N 3.04Å
103	A	96.2	Very high	96.1	Very high	10 Å²	10	70.9 Å²	70.9	8%	0.083	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-42.2	175	0	0	0	0	0	112.1	F60 I67 A99 F100 P101 K107	F60-A103 WeakPolarHBondContact CD2-O 3.42Å; F60-A103 VanDerWaalsContact CE2-O 3.31Å; F60-A103 WeakPolarHBondContact CE2-O 3.44Å; I67-A103 HydrophobicContact CD1-CB 3.82Å; A99-A103 WeakPolarHBondContact O-CB 3.45Å; A99-A103 PolarHBondContact O-N 3.14Å; F100-A103 PolarHBondContact O-N 3.16Å; P101-A103 PolarHBondContact O-N 3.35Å; A103-K107 WeakPolarHBondContact O-CB 3.44Å; A103-K107 PolarHBondContact O-N 3.3Å
104	E	96.8	Very high	96.2	Very high	108 Å²	108	65.7 Å²	65.7	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-75.2	-35.9	179.4	-166.3	61.2	-152.6	0	0	112.4	F100 P101 K107 A108	F100-E104 PolarHBondContact O-N 3.22Å; P101-E104 PolarHBondContact O-N 3.31Å; E104-K107 PolarHBondContact O-N 2.87Å; E104-K107 IonicContact OE1-NZ 2.63Å; E104-K107 PolarHBondContact OE1-NZ 3.2Å; E104-K107 IonicContact OE2-NZ 2.77Å; E104-K107 PolarHBondContact OE2-NZ 2.84Å; E104-A108 PolarHBondContact O-N 3.41Å
105	E	96.9	Very high	96.3	Very high	98 Å²	98	66.8 Å²	66.8	46%	0.458	32%	0.323	S	S	.	.	H	α-helix	trans	-58.9	-54	171.8	-175.1	-173.5	161.1	0	0	111.5	P101 K102 K107 A108 E109	P101-E105 WeakPolarHBondContact O-CB 3.5Å; P101-E105 PolarHBondContact O-N 2.74Å; K102-E105 VanDerWaalsContact CD-OE2 3.29Å; K102-E105 WeakPolarHBondContact CD-OE2 3.41Å; K102-E105 WeakPolarHBondContact CE-OE2 3.49Å; K102-E105 IonicContact NZ-OE1 2.64Å; K102-E105 PolarHBondContact NZ-OE1 2.63Å; K102-E105 IonicContact NZ-OE2 2.71Å; K102-E105 PolarHBondContact NZ-OE2 2.88Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 2.74Å; E105-A108 PolarHBondContact O-N 2.85Å; E105-E109 PolarHBondContact O-N 2.95Å
106	L	96.5	Very high	96.3	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-64.8	-35	178.7	-69.4	165.9	0	0	0	112.1	I56 A59 F60 Y63 K102 E109 L110	I56-L106 HydrophobicContact CB-CD2 3.88Å; I56-L106 HydrophobicContact CG2-CD2 3.68Å; A59-L106 HydrophobicContact CB-CD1 3.66Å; A59-L106 HydrophobicContact CB-CD2 4.42Å; F60-L106 HydrophobicContact CB-CB 4.2Å; F60-L106 HydrophobicContact CD2-CB 4.2Å; Y63-L106 HydrophobicContact CD2-CD1 3.6Å; Y63-L106 HydrophobicContact CE2-CD1 3.77Å; K102-L106 VanDerWaalsContact O-CB 3.29Å; K102-L106 WeakPolarHBondContact O-CB 3.38Å; K102-L106 WeakPolarHBondContact O-CD1 3.5Å; K102-L106 WeakPolarHBondContact O-CG 3.5Å; K102-L106 PolarHBondContact O-N 3.04Å; L106-E109 PolarHBondContact O-N 3.4Å; L106-L110 VanDerWaalsContact O-CB 3.31Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 WeakPolarHBondContact O-CD1 3.46Å; L106-L110 VanDerWaalsContact O-CG 3.22Å; L106-L110 WeakPolarHBondContact O-CG 3.22Å; L106-L110 PolarHBondContact O-N 3.47Å
107	K	96.7	Very high	96.4	Very high	65 Å²	65	66.9 Å²	66.9	28%	0.283	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-43.3	173.3	170.5	164.7	157.4	-99.9	0	112.2	V15 F60 A103 E104 E105 L111	V15-K107 HydrophobicContact CG1-CG 4.33Å; F60-K107 HydrophobicContact CD2-CB 4.35Å; F60-K107 HydrophobicContact CE2-CB 3.69Å; F60-K107 HydrophobicContact CE2-CD 4.44Å; F60-K107 HydrophobicContact CZ-CB 4.2Å; F60-K107 HydrophobicContact CZ-CD 4.43Å; A103-K107 WeakPolarHBondContact O-CB 3.44Å; A103-K107 PolarHBondContact O-N 3.3Å; E104-K107 PolarHBondContact O-N 2.87Å; E104-K107 IonicContact OE1-NZ 2.63Å; E104-K107 PolarHBondContact OE1-NZ 3.2Å; E104-K107 IonicContact OE2-NZ 2.77Å; E104-K107 PolarHBondContact OE2-NZ 2.84Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 2.74Å; K107-L111 HydrophobicContact CG-CD1 4.27Å; K107-L111 WeakPolarHBondContact O-CB 3.22Å; K107-L111 VanDerWaalsContact O-CG 3.29Å; K107-L111 WeakPolarHBondContact O-CG 3.44Å; K107-L111 PolarHBondContact O-N 3.26Å
108	A	97.4	Very high	96.3	Very high	59 Å²	59	64.3 Å²	64.3	49%	0.488	31%	0.31	S	S	.	.	H	α-helix	trans	-66	-38.3	175.8	0	0	0	0	0	111.9	E104 E105 K112	E104-A108 PolarHBondContact O-N 3.41Å; E105-A108 PolarHBondContact O-N 2.85Å; A108-K112 WeakPolarHBondContact O-CB 3.41Å; A108-K112 PolarHBondContact O-N 2.64Å
109	E	96.3	Very high	96.4	Very high	97 Å²	97	64.6 Å²	64.6	45%	0.453	31%	0.314	S	S	.	.	H	α-helix	trans	-68.3	-44.6	175.7	-174.8	164.9	-147.9	0	0	112.9	I56 E105 L106 K112 R113	I56-E109 HydrophobicContact CD1-CG 4.03Å; E105-E109 PolarHBondContact O-N 2.95Å; L106-E109 PolarHBondContact O-N 3.4Å; E109-K112 WeakPolarHBondContact O-CB 3.39Å; E109-K112 PolarHBondContact O-N 2.86Å; E109-R113 WeakPolarHBondContact O-CB 3.39Å; E109-R113 PolarHBondContact O-N 2.84Å
110	L	96.1	Very high	96.3	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-48.2	174.4	-75.6	164.1	0	0	0	111.5	V15 L18 I56 E57 F60 L106 K112 R113 Y114	V15-L110 HydrophobicContact CG2-CB 3.85Å; L18-L110 HydrophobicContact CD1-CD1 3.75Å; L18-L110 HydrophobicContact CD1-CD2 4.04Å; I56-L110 HydrophobicContact CB-CD2 4.42Å; I56-L110 HydrophobicContact CD1-CD2 3.71Å; I56-L110 HydrophobicContact CD1-CG 4.1Å; I56-L110 HydrophobicContact CG1-CD2 3.76Å; I56-L110 HydrophobicContact CG1-CG 4.33Å; E57-L110 HydrophobicContact CG-CD2 3.71Å; F60-L110 HydrophobicContact CB-CD1 3.58Å; F60-L110 HydrophobicContact CD1-CD1 3.68Å; F60-L110 HydrophobicContact CD2-CD1 4.27Å; F60-L110 HydrophobicContact CE1-CD1 4.43Å; F60-L110 HydrophobicContact CG-CD1 3.58Å; L106-L110 VanDerWaalsContact O-CB 3.31Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 WeakPolarHBondContact O-CD1 3.46Å; L106-L110 VanDerWaalsContact O-CG 3.22Å; L106-L110 WeakPolarHBondContact O-CG 3.22Å; L106-L110 PolarHBondContact O-N 3.47Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 3.17Å; L110-R113 PolarHBondContact O-N 2.86Å; L110-Y114 HydrophobicContact CD2-CE1 4.35Å; L110-Y114 HydrophobicContact CD2-CE2 4.33Å; L110-Y114 WeakPolarHBondContact O-CB 3.45Å; L110-Y114 PolarHBondContact O-N 3.28Å
111	L	96.6	Very high	96.2	Very high	50 Å²	50	67.6 Å²	67.6	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-44	175.2	-75.5	172.4	0	0	0	111.4	P11 E12 V15 K107 T115	P11-L111 HydrophobicContact CB-CD2 4.24Å; E12-L111 HydrophobicContact CG-CD2 4.34Å; V15-L111 HydrophobicContact CB-CD2 4.3Å; V15-L111 HydrophobicContact CG2-CD2 3.85Å; V15-L111 HydrophobicContact CG2-CG 4.07Å; K107-L111 HydrophobicContact CG-CD1 4.27Å; K107-L111 WeakPolarHBondContact O-CB 3.22Å; K107-L111 VanDerWaalsContact O-CG 3.29Å; K107-L111 WeakPolarHBondContact O-CG 3.44Å; K107-L111 PolarHBondContact O-N 3.26Å; L111-T115 WeakPolarHBondContact O-CB 3.31Å; L111-T115 PolarHBondContact O-N 2.78Å; L111-T115 PolarHBondContact O-OG1 3.03Å
112	K	96.9	Very high	96	Very high	168 Å²	168	67.7 Å²	67.7	73%	0.73	33%	0.325	S	S	*	.	H	α-helix	trans	-61.9	-44.4	176.8	179.4	-173	175.5	-169.4	0	111.9	A108 E109 L110 K116	A108-K112 WeakPolarHBondContact O-CB 3.41Å; A108-K112 PolarHBondContact O-N 2.64Å; E109-K112 WeakPolarHBondContact O-CB 3.39Å; E109-K112 PolarHBondContact O-N 2.86Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 3.17Å; K112-K116 PolarHBondContact O-N 2.94Å
113	R	95.6	Very high	96	Very high	119 Å²	119	70.3 Å²	70.3	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-55.3	178	177	178.6	172.3	166.9	-2.7	111.2	E109 L110 T115 K116 E117	E109-R113 WeakPolarHBondContact O-CB 3.39Å; E109-R113 PolarHBondContact O-N 2.84Å; L110-R113 PolarHBondContact O-N 2.86Å; R113-T115 VanDerWaalsContact C-N 3.32Å; R113-T115 PolarHBondContact O-N 3.36Å; R113-K116 WeakPolarHBondContact O-CB 3.39Å; R113-K116 PolarHBondContact O-N 2.78Å; R113-K116 VanDerWaalsContact O-N 3.11Å; R113-E117 WeakPolarHBondContact CG-OE1 3.19Å; R113-E117 IonicContact CZ-OE1 3.38Å; R113-E117 IonicContact NE-OE1 2.67Å; R113-E117 PolarHBondContact NE-OE1 3.29Å; R113-E117 IonicContact NH2-OE1 3.29Å; R113-E117 PolarHBondContact NH2-OE1 2.89Å; R113-E117 PolarHBondContact O-N 2.9Å; R113-E117 VanDerWaalsContact O-N 3.07Å
114	Y	96.6	Very high	95.9	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65.6	-33.4	-178.1	-64.4	-14.9	0	0	0	112.4	R14 V15 L18 E57 L110 K116 E117 Y118	R14-Y114 HydrophobicContact CB-CD2 3.49Å; R14-Y114 VanDerWaalsContact CB-CD2 3.49Å; R14-Y114 HydrophobicContact CB-CE2 3.47Å; R14-Y114 VanDerWaalsContact CB-CE2 3.47Å; R14-Y114 HydrophobicContact CB-CG 4.36Å; R14-Y114 HydrophobicContact CG-CD2 4.49Å; R14-Y114 VanDerWaalsContact NH2-CD1 3.34Å; V15-Y114 HydrophobicContact CG2-CD2 3.78Å; V15-Y114 HydrophobicContact CG2-CE2 3.88Å; L18-Y114 HydrophobicContact CD1-CE2 4.29Å; E57-Y114 WeakPolarHBondContact OE1-CE1 3.46Å; E57-Y114 PolarHBondContact OE1-OH 2.73Å; L110-Y114 HydrophobicContact CD2-CE1 4.35Å; L110-Y114 HydrophobicContact CD2-CE2 4.33Å; L110-Y114 WeakPolarHBondContact O-CB 3.45Å; L110-Y114 PolarHBondContact O-N 3.28Å; Y114-K116 VanDerWaalsContact C-N 3.33Å; Y114-K116 PolarHBondContact O-N 3.45Å; Y114-E117 WeakPolarHBondContact CD1-OE2 3.42Å; Y114-E117 PolarHBondContact O-N 3.04Å; Y114-Y118 WeakPolarHBondContact O-CB 3.45Å; Y114-Y118 PolarHBondContact O-N 2.79Å
115	T	96.8	Very high	95.7	Very high	61 Å²	61	73.6 Å²	73.6	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-58.8	-44.9	171.3	-60.1	0	0	0	0	110.9	L111 R113 Y118 T119	L111-T115 WeakPolarHBondContact O-CB 3.31Å; L111-T115 PolarHBondContact O-N 2.78Å; L111-T115 PolarHBondContact O-OG1 3.03Å; R113-T115 VanDerWaalsContact C-N 3.32Å; R113-T115 PolarHBondContact O-N 3.36Å; T115-Y118 PolarHBondContact O-N 2.86Å; T115-T119 WeakPolarHBondContact O-CG2 3.41Å; T115-T119 PolarHBondContact O-N 3.46Å; T115-T119 PolarHBondContact O-OG1 2.9Å; T115-T119 VanDerWaalsContact O-OG1 3.14Å
116	K	96.2	Very high	95.6	Very high	119 Å²	119	75.1 Å²	75.1	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-54.4	176.2	-168.6	-162.2	172.7	-102.4	0	111	K112 R113 Y114 Y118 T119 E120	K112-K116 PolarHBondContact O-N 2.94Å; R113-K116 WeakPolarHBondContact O-CB 3.39Å; R113-K116 PolarHBondContact O-N 2.78Å; R113-K116 VanDerWaalsContact O-N 3.11Å; Y114-K116 VanDerWaalsContact C-N 3.33Å; Y114-K116 PolarHBondContact O-N 3.45Å; K116-Y118 VanDerWaalsContact C-N 3.29Å; K116-Y118 PolarHBondContact O-N 2.82Å; K116-T119 WeakPolarHBondContact CA-OG1 3.29Å; K116-T119 PolarHBondContact O-N 3.4Å; K116-T119 VanDerWaalsContact O-N 3.09Å; K116-T119 PolarHBondContact O-OG1 2.89Å; K116-E120 WeakPolarHBondContact CE-OE1 3.4Å; K116-E120 IonicContact NZ-OE1 3.76Å; K116-E120 PolarHBondContact NZ-OE1 3.16Å; K116-E120 IonicContact NZ-OE2 2.68Å; K116-E120 PolarHBondContact NZ-OE2 2.87Å; K116-E120 WeakPolarHBondContact O-CG 3.06Å; K116-E120 PolarHBondContact O-N 2.88Å
117	E	94.8	Very high	95.5	Very high	39 Å²	39	80.5 Å²	80.5	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-54.9	-44.2	179.6	-67.4	170.9	-176.7	0	0	111.7	V7 R14 R113 Y114 E120 Y121	V7-E117 HydrophobicContact CG1-CB 4.37Å; R14-E117 IonicContact CZ-OE2 3.64Å; R14-E117 VanDerWaalsContact CZ-OE2 3.27Å; R14-E117 IonicContact NH1-OE2 3.7Å; R14-E117 PolarHBondContact NH1-OE2 2.93Å; R14-E117 IonicContact NH2-OE2 3.35Å; R14-E117 PolarHBondContact NH2-OE2 3.11Å; R113-E117 WeakPolarHBondContact CG-OE1 3.19Å; R113-E117 IonicContact CZ-OE1 3.38Å; R113-E117 IonicContact NE-OE1 2.67Å; R113-E117 PolarHBondContact NE-OE1 3.29Å; R113-E117 IonicContact NH2-OE1 3.29Å; R113-E117 PolarHBondContact NH2-OE1 2.89Å; R113-E117 PolarHBondContact O-N 2.9Å; R113-E117 VanDerWaalsContact O-N 3.07Å; Y114-E117 WeakPolarHBondContact CD1-OE2 3.42Å; Y114-E117 PolarHBondContact O-N 3.04Å; E117-E120 PolarHBondContact O-N 3.43Å; E117-Y121 WeakPolarHBondContact O-CB 3.2Å; E117-Y121 PolarHBondContact O-N 3.24Å
118	Y	95.2	Very high	95.4	Very high	71 Å²	71	82 Å²	82	28%	0.278	39%	0.387	S	S	.	.	H	α-helix	trans	-67.6	-37.6	177.3	-176	-110.3	0	0	0	112.7	L9 P11 Y114 T115 K116 N122	L9-Y118 WeakPolarHBondContact O-CD2 3.29Å; P11-Y118 HydrophobicContact CG-CD1 4.33Å; P11-Y118 HydrophobicContact CG-CG 4.37Å; Y114-Y118 WeakPolarHBondContact O-CB 3.45Å; Y114-Y118 PolarHBondContact O-N 2.79Å; T115-Y118 PolarHBondContact O-N 2.86Å; K116-Y118 VanDerWaalsContact C-N 3.29Å; K116-Y118 PolarHBondContact O-N 2.82Å; Y118-N122 WeakPolarHBondContact CD1-ND2 3.14Å; Y118-N122 VanDerWaalsContact CE1-ND2 3.28Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.15Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.47Å; Y118-N122 WeakPolarHBondContact O-CB 3.42Å; Y118-N122 PolarHBondContact O-N 2.59Å; Y118-N122 PolarHBondContact O-ND2 3.42Å
119	T	95.8	Very high	95.2	Very high	72 Å²	72	82 Å²	82	44%	0.442	39%	0.387	S	S	.	.	H	α-helix	trans	-66.6	-40	173.7	51.4	0	0	0	0	112.4	T115 K116 N122 E123	T115-T119 WeakPolarHBondContact O-CG2 3.41Å; T115-T119 PolarHBondContact O-N 3.46Å; T115-T119 PolarHBondContact O-OG1 2.9Å; T115-T119 VanDerWaalsContact O-OG1 3.14Å; K116-T119 WeakPolarHBondContact CA-OG1 3.29Å; K116-T119 PolarHBondContact O-N 3.4Å; K116-T119 VanDerWaalsContact O-N 3.09Å; K116-T119 PolarHBondContact O-OG1 2.89Å; T119-N122 PolarHBondContact O-N 3.5Å; T119-E123 PolarHBondContact O-N 3.14Å
120	E	95	Very high	95.2	Very high	96 Å²	96	81.1 Å²	81.1	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-43.9	177.6	-69.6	176.4	142.3	0	0	110.8	K116 E117 E123 E124	K116-E120 WeakPolarHBondContact CE-OE1 3.4Å; K116-E120 IonicContact NZ-OE1 3.76Å; K116-E120 PolarHBondContact NZ-OE1 3.16Å; K116-E120 IonicContact NZ-OE2 2.68Å; K116-E120 PolarHBondContact NZ-OE2 2.87Å; K116-E120 WeakPolarHBondContact O-CG 3.06Å; K116-E120 PolarHBondContact O-N 2.88Å; E117-E120 PolarHBondContact O-N 3.43Å; E120-E123 PolarHBondContact O-N 3.22Å; E120-E124 PolarHBondContact O-N 2.63Å
121	Y	94	Very high	95.1	Very high	65 Å²	65	86.2 Å²	86.2	26%	0.255	41%	0.406	S	S	.	.	H	α-helix	trans	-58.5	-47.6	172.3	173	-99.6	0	0	0	113	V7 S8 E117 E123 E124 K125	V7-Y121 HydrophobicContact CG2-CD2 4.13Å; V7-Y121 HydrophobicContact CG2-CG 4.49Å; S8-Y121 WeakPolarHBondContact CB-OH 3.48Å; E117-Y121 WeakPolarHBondContact O-CB 3.2Å; E117-Y121 PolarHBondContact O-N 3.24Å; Y121-E123 PolarHBondContact O-N 3.01Å; Y121-E124 PolarHBondContact O-N 3.18Å; Y121-K125 HydrophobicContact CD1-CG 4.33Å; Y121-K125 HydrophobicContact CD2-CG 4.27Å; Y121-K125 HydrophobicContact CE1-CG 3.86Å; Y121-K125 HydrophobicContact CE2-CD 4.12Å; Y121-K125 VanDerWaalsContact CE2-CE 3.42Å; Y121-K125 HydrophobicContact CE2-CG 3.81Å; Y121-K125 WeakPolarHBondContact O-CG 3.09Å; Y121-K125 PolarHBondContact O-N 2.75Å; Y121-K125 WeakPolarHBondContact OH-CE 3.45Å
122	N	94.1	Very high	95.1	Very high	66 Å²	66	89 Å²	89	35%	0.353	42%	0.421	S	S	.	.	H	α-helix	trans	-66.7	-35.5	180	-81.1	-69.6	0	0	0	112.6	Y118 T119 K126	Y118-N122 WeakPolarHBondContact CD1-ND2 3.14Å; Y118-N122 VanDerWaalsContact CE1-ND2 3.28Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.15Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.47Å; Y118-N122 WeakPolarHBondContact O-CB 3.42Å; Y118-N122 PolarHBondContact O-N 2.59Å; Y118-N122 PolarHBondContact O-ND2 3.42Å; T119-N122 PolarHBondContact O-N 3.5Å; N122-K126 WeakPolarHBondContact O-CB 3.42Å; N122-K126 PolarHBondContact O-N 3.28Å
123	E	95	Very high	95	Very high	112 Å²	112	83.8 Å²	83.8	52%	0.523	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-43	171.7	-87.7	-160.8	-151.8	0	0	112.6	T119 E120 Y121 K126 K127	T119-E123 PolarHBondContact O-N 3.14Å; E120-E123 PolarHBondContact O-N 3.22Å; Y121-E123 PolarHBondContact O-N 3.01Å; E123-K126 PolarHBondContact O-N 3.01Å; E123-K127 VanDerWaalsContact O-CD 3.29Å; E123-K127 WeakPolarHBondContact O-CD 3.47Å; E123-K127 WeakPolarHBondContact O-CG 3.43Å; E123-K127 PolarHBondContact O-N 3.2Å; E123-K127 IonicContact OE2-NZ 3.43Å; E123-K127 PolarHBondContact OE2-NZ 3.4Å
124	E	93.9	Very high	95	Very high	115 Å²	115	84 Å²	84	54%	0.537	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-48.4	176.8	-173.7	169.9	-135.9	0	0	111.1	E120 Y121 K126 K127 E128	E120-E124 PolarHBondContact O-N 2.63Å; Y121-E124 PolarHBondContact O-N 3.18Å; E124-K126 VanDerWaalsContact C-N 3.27Å; E124-K126 PolarHBondContact O-N 3.28Å; E124-K127 WeakPolarHBondContact O-CB 3.36Å; E124-K127 PolarHBondContact O-N 3.02Å; E124-K127 VanDerWaalsContact O-N 3.07Å; E124-E128 PolarHBondContact O-N 3.05Å
125	K	93.2	Very high	94.9	Very high	72 Å²	72	88 Å²	88	31%	0.313	43%	0.432	S	S	.	.	H	α-helix	trans	-59.5	-35.7	175.6	-69.3	-73.9	153.7	-116.5	0	112.9	Y121 E128 A129	Y121-K125 HydrophobicContact CD1-CG 4.33Å; Y121-K125 HydrophobicContact CD2-CG 4.27Å; Y121-K125 HydrophobicContact CE1-CG 3.86Å; Y121-K125 HydrophobicContact CE2-CD 4.12Å; Y121-K125 VanDerWaalsContact CE2-CE 3.42Å; Y121-K125 HydrophobicContact CE2-CG 3.81Å; Y121-K125 WeakPolarHBondContact O-CG 3.09Å; Y121-K125 PolarHBondContact O-N 2.75Å; Y121-K125 WeakPolarHBondContact OH-CE 3.45Å; K125-E128 WeakPolarHBondContact CD-OE2 3.24Å; K125-E128 IonicContact NZ-OE1 2.72Å; K125-E128 PolarHBondContact NZ-OE1 3.15Å; K125-E128 IonicContact NZ-OE2 3.31Å; K125-E128 PolarHBondContact NZ-OE2 3.4Å; K125-A129 WeakPolarHBondContact O-CB 3.34Å; K125-A129 PolarHBondContact O-N 3Å
126	K	94.3	Very high	94.8	Very high	130 Å²	130	90.2 Å²	90.2	57%	0.565	44%	0.439	S	S	*	.	H	α-helix	trans	-67	-43.2	173.4	-174.1	172.7	-176.6	-79.8	0	111.8	N122 E123 E124 A129 E130	N122-K126 WeakPolarHBondContact O-CB 3.42Å; N122-K126 PolarHBondContact O-N 3.28Å; E123-K126 PolarHBondContact O-N 3.01Å; E124-K126 VanDerWaalsContact C-N 3.27Å; E124-K126 PolarHBondContact O-N 3.28Å; K126-A129 PolarHBondContact O-N 3.33Å; K126-E130 WeakPolarHBondContact CE-OE1 3.2Å; K126-E130 IonicContact NZ-OE1 3.83Å; K126-E130 PolarHBondContact NZ-OE1 3.02Å; K126-E130 WeakPolarHBondContact O-CB 3.45Å; K126-E130 WeakPolarHBondContact O-CG 3.34Å; K126-E130 PolarHBondContact O-N 2.87Å
127	K	95	Very high	94.8	Very high	114 Å²	114	86.9 Å²	86.9	50%	0.496	43%	0.433	S	S	.	.	H	α-helix	trans	-63	-44.3	177.4	-69	156.8	-165.5	164.4	0	111.3	E123 E124 E130 E131	E123-K127 VanDerWaalsContact O-CD 3.29Å; E123-K127 WeakPolarHBondContact O-CD 3.47Å; E123-K127 WeakPolarHBondContact O-CG 3.43Å; E123-K127 PolarHBondContact O-N 3.2Å; E123-K127 IonicContact OE2-NZ 3.43Å; E123-K127 PolarHBondContact OE2-NZ 3.4Å; E124-K127 WeakPolarHBondContact O-CB 3.36Å; E124-K127 PolarHBondContact O-N 3.02Å; E124-K127 VanDerWaalsContact O-N 3.07Å; K127-E130 PolarHBondContact O-N 2.97Å; K127-E131 WeakPolarHBondContact O-CB 3.44Å; K127-E131 PolarHBondContact O-N 3.23Å
128	E	94.3	Very high	94.8	Very high	97 Å²	97	89.9 Å²	89.9	45%	0.453	45%	0.45	S	S	.	.	H	α-helix	trans	-57.1	-49.8	172.1	-72.7	178.2	175.8	0	0	112.1	E124 K125 E131 L132	E124-E128 PolarHBondContact O-N 3.05Å; K125-E128 WeakPolarHBondContact CD-OE2 3.24Å; K125-E128 IonicContact NZ-OE1 2.72Å; K125-E128 PolarHBondContact NZ-OE1 3.15Å; K125-E128 IonicContact NZ-OE2 3.31Å; K125-E128 PolarHBondContact NZ-OE2 3.4Å; E128-E131 PolarHBondContact O-N 2.87Å; E128-L132 WeakPolarHBondContact O-CB 3.46Å; E128-L132 PolarHBondContact O-N 3.05Å
129	A	94.6	Very high	94.7	Very high	59 Å²	59	91.6 Å²	91.6	49%	0.488	46%	0.46	S	S	.	.	H	α-helix	trans	-65.6	-39.5	-177.9	0	0	0	0	0	112.5	K125 K126 A133	K125-A129 WeakPolarHBondContact O-CB 3.34Å; K125-A129 PolarHBondContact O-N 3Å; K126-A129 PolarHBondContact O-N 3.33Å; A129-A133 WeakPolarHBondContact O-CB 3.43Å; A129-A133 PolarHBondContact O-N 3.01Å
130	E	95	Very high	94.7	Very high	78 Å²	78	93.1 Å²	93.1	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-36.9	173.3	-73.6	178.7	-164.6	0	0	112.4	K126 K127 R134	K126-E130 WeakPolarHBondContact CE-OE1 3.2Å; K126-E130 IonicContact NZ-OE1 3.83Å; K126-E130 PolarHBondContact NZ-OE1 3.02Å; K126-E130 WeakPolarHBondContact O-CB 3.45Å; K126-E130 WeakPolarHBondContact O-CG 3.34Å; K126-E130 PolarHBondContact O-N 2.87Å; K127-E130 PolarHBondContact O-N 2.97Å; E130-R134 WeakPolarHBondContact O-CG 3.11Å; E130-R134 PolarHBondContact O-N 3.21Å; E130-R134 IonicContact OE2-NH1 2.83Å
131	E	95	Very high	94.7	Very high	107 Å²	107	94.8 Å²	94.8	50%	0.5	47%	0.47	S	S	.	.	H	α-helix	trans	-69.4	-44.1	175.9	-164.7	-179.1	136.4	0	0	112.1	K127 E128 A133 R134 N135	K127-E131 WeakPolarHBondContact O-CB 3.44Å; K127-E131 PolarHBondContact O-N 3.23Å; E128-E131 PolarHBondContact O-N 2.87Å; E131-A133 VanDerWaalsContact C-N 3.29Å; E131-A133 PolarHBondContact O-N 3.09Å; E131-R134 VanDerWaalsContact CA-NH2 3.33Å; E131-R134 PolarHBondContact O-N 2.82Å; E131-N135 WeakPolarHBondContact O-CB 3.19Å; E131-N135 VanDerWaalsContact O-CG 3.28Å; E131-N135 PolarHBondContact O-N 3.33Å; E131-N135 PolarHBondContact O-ND2 2.79Å
132	L	95.4	Very high	94.7	Very high	109 Å²	109	95.7 Å²	95.7	57%	0.571	48%	0.479	S	S	*	.	H	α-helix	trans	-57.8	-43.4	173.7	-176.3	62.7	0	0	0	111	E128 N135 M136	E128-L132 WeakPolarHBondContact O-CB 3.46Å; E128-L132 PolarHBondContact O-N 3.05Å; L132-N135 PolarHBondContact O-N 2.95Å; L132-M136 HydrophobicContact CG-SD 4.2Å; L132-M136 WeakPolarHBondContact O-CB 3.27Å; L132-M136 VanDerWaalsContact O-CG 3.28Å; L132-M136 WeakPolarHBondContact O-CG 3.37Å; L132-M136 PolarHBondContact O-N 2.72Å
133	A	95.4	Very high	94.7	Very high	58 Å²	58	97.6 Å²	97.6	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-42.5	175.8	0	0	0	0	0	112.9	A129 E131 M136 A137	A129-A133 WeakPolarHBondContact O-CB 3.43Å; A129-A133 PolarHBondContact O-N 3.01Å; E131-A133 VanDerWaalsContact C-N 3.29Å; E131-A133 PolarHBondContact O-N 3.09Å; A133-M136 PolarHBondContact O-N 3.36Å; A133-A137 WeakPolarHBondContact O-CB 3.39Å; A133-A137 PolarHBondContact O-N 2.86Å
134	R	95.3	Very high	94.7	Very high	124 Å²	124	98.2 Å²	98.2	47%	0.468	49%	0.486	S	S	.	.	H	α-helix	trans	-60	-47.3	173.4	-75.3	-177.2	-65.1	-97.3	2.7	111.4	E130 E131 M136 A137 I138	E130-R134 WeakPolarHBondContact O-CG 3.11Å; E130-R134 PolarHBondContact O-N 3.21Å; E130-R134 IonicContact OE2-NH1 2.83Å; E131-R134 VanDerWaalsContact CA-NH2 3.33Å; E131-R134 PolarHBondContact O-N 2.82Å; R134-M136 PolarHBondContact O-N 2.54Å; R134-A137 PolarHBondContact O-N 3.5Å; R134-I138 WeakPolarHBondContact O-CG1 3.32Å; R134-I138 PolarHBondContact O-N 2.88Å
135	N	94.3	Very high	94.7	Very high	85 Å²	85	96.6 Å²	96.6	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-64.8	-39	-179.7	-68.7	-20.7	0	0	0	111.8	E131 L132 Q139	E131-N135 WeakPolarHBondContact O-CB 3.19Å; E131-N135 VanDerWaalsContact O-CG 3.28Å; E131-N135 PolarHBondContact O-N 3.33Å; E131-N135 PolarHBondContact O-ND2 2.79Å; L132-N135 PolarHBondContact O-N 2.95Å; N135-Q139 WeakPolarHBondContact O-CB 3.49Å; N135-Q139 PolarHBondContact O-N 3.38Å
136	M	95.3	Very high	94.8	Very high	107 Å²	107	99 Å²	99	53%	0.527	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-40.1	172.8	-73	177.2	71.4	0	0	112.6	L132 A133 R134 Q139 Q140	L132-M136 HydrophobicContact CG-SD 4.2Å; L132-M136 WeakPolarHBondContact O-CB 3.27Å; L132-M136 VanDerWaalsContact O-CG 3.28Å; L132-M136 WeakPolarHBondContact O-CG 3.37Å; L132-M136 PolarHBondContact O-N 2.72Å; A133-M136 PolarHBondContact O-N 3.36Å; R134-M136 PolarHBondContact O-N 2.54Å; M136-Q139 PolarHBondContact O-N 3.01Å; M136-Q140 WeakPolarHBondContact O-CG 3.48Å; M136-Q140 PolarHBondContact O-N 3.4Å
137	A	95.6	Very high	94.8	Very high	48 Å²	48	98.3 Å²	98.3	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-47.8	177	0	0	0	0	0	111.9	A133 R134 Q139 Q140 E141	A133-A137 WeakPolarHBondContact O-CB 3.39Å; A133-A137 PolarHBondContact O-N 2.86Å; R134-A137 PolarHBondContact O-N 3.5Å; A137-Q139 VanDerWaalsContact C-N 3.29Å; A137-Q139 PolarHBondContact O-N 3.3Å; A137-Q140 PolarHBondContact O-N 2.96Å; A137-Q140 VanDerWaalsContact O-N 3.13Å; A137-E141 PolarHBondContact O-N 2.98Å
138	I	95.7	Very high	94.8	Very high	103 Å²	103	99 Å²	99	53%	0.528	49%	0.487	S	S	.	.	H	α-helix	trans	-58.1	-42.7	176.1	-67.3	164.6	0	0	0	110.8	R134 Q140 E141 L142	R134-I138 WeakPolarHBondContact O-CG1 3.32Å; R134-I138 PolarHBondContact O-N 2.88Å; I138-Q140 PolarHBondContact O-N 2.91Å; I138-E141 PolarHBondContact O-N 3.15Å; I138-L142 WeakPolarHBondContact O-CB 3.29Å; I138-L142 PolarHBondContact O-N 3.17Å
139	Q	93.3	Very high	94.8	Very high	106 Å²	106	97.2 Å²	97.2	50%	0.495	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-41.3	176.9	-173.9	68.6	6.9	0	0	112.1	N135 M136 A137 L142 E143	N135-Q139 WeakPolarHBondContact O-CB 3.49Å; N135-Q139 PolarHBondContact O-N 3.38Å; M136-Q139 PolarHBondContact O-N 3.01Å; A137-Q139 VanDerWaalsContact C-N 3.29Å; A137-Q139 PolarHBondContact O-N 3.3Å; Q139-L142 PolarHBondContact O-N 3.18Å; Q139-E143 WeakPolarHBondContact O-CB 3.14Å; Q139-E143 PolarHBondContact O-N 2.91Å
140	Q	94.9	Very high	94.9	Very high	105 Å²	105	97.1 Å²	97.1	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-66.7	-36.6	176	-73.2	179	14.1	0	0	113.1	M136 A137 I138 E143 K144	M136-Q140 WeakPolarHBondContact O-CG 3.48Å; M136-Q140 PolarHBondContact O-N 3.4Å; A137-Q140 PolarHBondContact O-N 2.96Å; A137-Q140 VanDerWaalsContact O-N 3.13Å; I138-Q140 PolarHBondContact O-N 2.91Å; Q140-E143 PolarHBondContact O-N 2.95Å; Q140-K144 WeakPolarHBondContact O-CB 3.31Å; Q140-K144 WeakPolarHBondContact O-CD 3.21Å; Q140-K144 VanDerWaalsContact O-CG 3.23Å; Q140-K144 WeakPolarHBondContact O-CG 3.4Å; Q140-K144 PolarHBondContact O-N 2.92Å
141	E	95.1	Very high	94.8	Very high	131 Å²	131	99.2 Å²	99.2	61%	0.612	49%	0.492	S	S	*	.	H	α-helix	trans	-68.3	-44.1	174.6	-70.6	-172.8	156	0	0	111.6	A137 I138 E143 K144 E145	A137-E141 PolarHBondContact O-N 2.98Å; I138-E141 PolarHBondContact O-N 3.15Å; E141-E143 VanDerWaalsContact C-N 3.26Å; E141-E143 PolarHBondContact O-N 3.5Å; E141-K144 PolarHBondContact O-N 3.21Å; E141-E145 PolarHBondContact O-N 2.72Å
142	L	94.7	Very high	94.7	Very high	84 Å²	84	98.7 Å²	98.7	44%	0.44	49%	0.49	S	S	.	.	H	α-helix	trans	-59.7	-36.4	174.4	-174.9	67.5	0	0	0	112.2	I138 Q139 K146	I138-L142 WeakPolarHBondContact O-CB 3.29Å; I138-L142 PolarHBondContact O-N 3.17Å; Q139-L142 PolarHBondContact O-N 3.18Å; L142-K146 HydrophobicContact CG-CD 4.46Å; L142-K146 WeakPolarHBondContact O-CB 3.45Å; L142-K146 WeakPolarHBondContact O-CD 3.29Å; L142-K146 WeakPolarHBondContact O-CG 3.14Å; L142-K146 PolarHBondContact O-N 2.97Å
143	E	93.8	Very high	94.6	Very high	105 Å²	105	99.8 Å²	99.8	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-74.8	-40.7	177.6	-172.5	150	-148.6	0	0	112.7	Q139 Q140 E141 E145 K146 Q147	Q139-E143 WeakPolarHBondContact O-CB 3.14Å; Q139-E143 PolarHBondContact O-N 2.91Å; Q140-E143 PolarHBondContact O-N 2.95Å; E141-E143 VanDerWaalsContact C-N 3.26Å; E141-E143 PolarHBondContact O-N 3.5Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3Å; E143-K146 PolarHBondContact O-N 3.39Å; E143-Q147 WeakPolarHBondContact O-CG 3.36Å; E143-Q147 PolarHBondContact O-N 3.33Å
144	K	95.5	Very high	94.5	Very high	125 Å²	125	102.6 Å²	102.6	54%	0.543	49%	0.493	S	S	.	.	H	α-helix	trans	-58.9	-44.1	170.8	-73.2	164.1	-172.6	167.1	0	111.7	Q140 E141 Q147 R148	Q140-K144 WeakPolarHBondContact O-CB 3.31Å; Q140-K144 WeakPolarHBondContact O-CD 3.21Å; Q140-K144 VanDerWaalsContact O-CG 3.23Å; Q140-K144 WeakPolarHBondContact O-CG 3.4Å; Q140-K144 PolarHBondContact O-N 2.92Å; E141-K144 PolarHBondContact O-N 3.21Å; K144-Q147 PolarHBondContact O-N 2.64Å; K144-R148 PolarHBondContact O-N 3.3Å
145	E	94.1	Very high	94.4	Very high	82 Å²	82	102.3 Å²	102.3	38%	0.383	50%	0.497	S	S	.	.	H	α-helix	trans	-69.4	-38.1	179.7	-174.5	60.8	-173.9	0	0	112	E141 E143 Q147 R148 V149	E141-E145 PolarHBondContact O-N 2.72Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3Å; E145-Q147 VanDerWaalsContact C-N 3.32Å; E145-Q147 PolarHBondContact O-N 2.95Å; E145-R148 VanDerWaalsContact CD-NH2 3.31Å; E145-R148 PolarHBondContact O-N 3.16Å; E145-R148 IonicContact OE1-CZ 2.63Å; E145-R148 IonicContact OE1-NE 2.76Å; E145-R148 IonicContact OE1-NH2 3.66Å; E145-R148 PolarHBondContact OE1-NH2 3.47Å; E145-R148 IonicContact OE2-CZ 3.1Å; E145-R148 VanDerWaalsContact OE2-CZ 3.31Å; E145-R148 IonicContact OE2-NE 2.72Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 2.9Å; E145-R148 PolarHBondContact OE2-NH2 2.94Å; E145-R148 VanDerWaalsContact OE2-NH2 3.1Å; E145-V149 HydrophobicContact CG-CG2 4.44Å; E145-V149 WeakPolarHBondContact O-CB 3.32Å; E145-V149 WeakPolarHBondContact O-CG2 3.43Å; E145-V149 PolarHBondContact O-N 2.9Å
146	K	94.7	Very high	94.3	Very high	123 Å²	123	103.7 Å²	103.7	54%	0.535	50%	0.501	S	S	.	.	H	α-helix	trans	-57.9	-43.5	170.1	-77.8	166.5	-178.8	170.2	0	112	L142 E143 A150	L142-K146 HydrophobicContact CG-CD 4.46Å; L142-K146 WeakPolarHBondContact O-CB 3.45Å; L142-K146 WeakPolarHBondContact O-CD 3.29Å; L142-K146 WeakPolarHBondContact O-CG 3.14Å; L142-K146 PolarHBondContact O-N 2.97Å; E143-K146 PolarHBondContact O-N 3.39Å; K146-A150 VanDerWaalsContact O-CB 3.31Å; K146-A150 WeakPolarHBondContact O-CB 3.29Å; K146-A150 PolarHBondContact O-N 3.45Å
147	Q	94.3	Very high	94.2	Very high	114 Å²	114	103.1 Å²	103.1	53%	0.533	50%	0.499	S	S	.	.	H	α-helix	trans	-64.4	-42.2	175.9	-71	175.5	9.4	0	0	111.7	E143 K144 E145 A150 Q151	E143-Q147 WeakPolarHBondContact O-CG 3.36Å; E143-Q147 PolarHBondContact O-N 3.33Å; K144-Q147 PolarHBondContact O-N 2.64Å; E145-Q147 VanDerWaalsContact C-N 3.32Å; E145-Q147 PolarHBondContact O-N 2.95Å; Q147-A150 PolarHBondContact O-N 2.9Å; Q147-Q151 WeakPolarHBondContact O-CG 3.4Å; Q147-Q151 PolarHBondContact O-N 2.97Å
148	R	95.5	Very high	94	Very high	128 Å²	128	105.6 Å²	105.6	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-45.5	177.3	-165.7	174.9	73.1	113.1	4.8	112.3	K144 E145 A150 Q151 Q152	K144-R148 PolarHBondContact O-N 3.3Å; E145-R148 VanDerWaalsContact CD-NH2 3.31Å; E145-R148 PolarHBondContact O-N 3.16Å; E145-R148 IonicContact OE1-CZ 2.63Å; E145-R148 IonicContact OE1-NE 2.76Å; E145-R148 IonicContact OE1-NH2 3.66Å; E145-R148 PolarHBondContact OE1-NH2 3.47Å; E145-R148 IonicContact OE2-CZ 3.1Å; E145-R148 VanDerWaalsContact OE2-CZ 3.31Å; E145-R148 IonicContact OE2-NE 2.72Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 2.9Å; E145-R148 PolarHBondContact OE2-NH2 2.94Å; E145-R148 VanDerWaalsContact OE2-NH2 3.1Å; R148-A150 VanDerWaalsContact C-N 3.35Å; R148-Q151 PolarHBondContact O-N 3.29Å; R148-Q152 WeakPolarHBondContact O-CG 3.32Å; R148-Q152 PolarHBondContact O-N 3.33Å
149	V	94.4	Very high	93.7	Very high	60 Å²	60	107.4 Å²	107.4	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-65.8	-36.4	176	171.7	0	0	0	0	111.6	E145 K153	E145-V149 HydrophobicContact CG-CG2 4.44Å; E145-V149 WeakPolarHBondContact O-CB 3.32Å; E145-V149 WeakPolarHBondContact O-CG2 3.43Å; E145-V149 PolarHBondContact O-N 2.9Å; V149-K153 PolarHBondContact O-N 2.93Å
150	A	94.8	Very high	93.6	Very high	57 Å²	57	108.3 Å²	108.3	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-45.3	174.3	0	0	0	0	0	112	K146 Q147 R148 K153 Q154	K146-A150 VanDerWaalsContact O-CB 3.31Å; K146-A150 WeakPolarHBondContact O-CB 3.29Å; K146-A150 PolarHBondContact O-N 3.45Å; Q147-A150 PolarHBondContact O-N 2.9Å; R148-A150 VanDerWaalsContact C-N 3.35Å; A150-K153 PolarHBondContact O-N 3.3Å; A150-Q154 PolarHBondContact O-N 2.87Å
151	Q	94.3	Very high	93.4	Very high	123 Å²	123	110 Å²	110	58%	0.575	52%	0.521	S	S	*	.	H	α-helix	trans	-61.6	-43.5	175.1	-74.2	178.4	-8.1	0	0	112.2	Q147 R148 Q154 Q155	Q147-Q151 WeakPolarHBondContact O-CG 3.4Å; Q147-Q151 PolarHBondContact O-N 2.97Å; R148-Q151 PolarHBondContact O-N 3.29Å; Q151-Q154 PolarHBondContact O-N 3.41Å; Q151-Q155 WeakPolarHBondContact O-CG 3.45Å; Q151-Q155 PolarHBondContact O-N 3.28Å
152	Q	92.9	Very high	93.3	Very high	95 Å²	95	109.7 Å²	109.7	44%	0.444	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-43.5	176.3	-75.5	-176.8	-32.1	0	0	112.2	R148 Q154 Q155 Q156	R148-Q152 WeakPolarHBondContact O-CG 3.32Å; R148-Q152 PolarHBondContact O-N 3.33Å; Q152-Q154 VanDerWaalsContact C-N 3.34Å; Q152-Q154 PolarHBondContact O-N 3.03Å; Q152-Q155 PolarHBondContact O-N 3.02Å; Q152-Q156 WeakPolarHBondContact O-CG 3.34Å; Q152-Q156 PolarHBondContact O-N 3.49Å
153	K	93.9	Very high	93.1	Very high	133 Å²	133	111.6 Å²	111.6	58%	0.578	52%	0.524	S	S	*	.	H	α-helix	trans	-62.8	-38.9	174.5	-80.7	-169.9	170.5	-168.6	0	112.8	V149 A150 Q156 L157	V149-K153 PolarHBondContact O-N 2.93Å; A150-K153 PolarHBondContact O-N 3.3Å; K153-Q156 PolarHBondContact O-N 2.94Å; K153-L157 WeakPolarHBondContact O-CG 3.48Å; K153-L157 PolarHBondContact O-N 3.29Å
154	Q	93.3	Very high	93	Very high	116 Å²	116	109.5 Å²	109.5	54%	0.542	53%	0.525	S	S	.	.	H	α-helix	trans	-64.8	-45.2	176.4	-178.7	172.3	-16.7	0	0	111.3	A150 Q151 Q152 Q156 L157 E158	A150-Q154 PolarHBondContact O-N 2.87Å; Q151-Q154 PolarHBondContact O-N 3.41Å; Q152-Q154 VanDerWaalsContact C-N 3.34Å; Q152-Q154 PolarHBondContact O-N 3.03Å; Q154-Q156 VanDerWaalsContact C-N 3.32Å; Q154-Q156 PolarHBondContact O-N 3.36Å; Q154-L157 PolarHBondContact O-N 3.47Å; Q154-E158 HydrophobicContact CG-CG 4.49Å; Q154-E158 VanDerWaalsContact CG-OE1 3.27Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.3Å; Q154-E158 PolarHBondContact NE2-OE1 2.72Å; Q154-E158 WeakPolarHBondContact O-CG 3.32Å; Q154-E158 PolarHBondContact O-N 2.99Å
155	Q	92.3	Very high	92.8	Very high	119 Å²	119	109 Å²	109	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-62.3	-36.8	176	-72.3	175.1	-7.1	0	0	112.7	Q151 Q152 E158 Q159	Q151-Q155 WeakPolarHBondContact O-CG 3.45Å; Q151-Q155 PolarHBondContact O-N 3.28Å; Q152-Q155 PolarHBondContact O-N 3.02Å; Q155-E158 PolarHBondContact O-N 3.45Å; Q155-Q159 WeakPolarHBondContact O-CG 3.34Å; Q155-Q159 PolarHBondContact O-N 3.4Å
156	Q	92.1	Very high	92.5	Very high	113 Å²	113	109.4 Å²	109.4	53%	0.528	53%	0.525	S	S	.	.	H	α-helix	trans	-63.7	-46.7	172.5	-74.8	-177	-51.4	0	0	111.9	Q152 K153 Q154 E158 Q159 E160	Q152-Q156 WeakPolarHBondContact O-CG 3.34Å; Q152-Q156 PolarHBondContact O-N 3.49Å; K153-Q156 PolarHBondContact O-N 2.94Å; Q154-Q156 VanDerWaalsContact C-N 3.32Å; Q154-Q156 PolarHBondContact O-N 3.36Å; Q156-E158 VanDerWaalsContact C-N 3.3Å; Q156-E158 PolarHBondContact O-N 3.42Å; Q156-Q159 PolarHBondContact O-N 2.99Å; Q156-E160 WeakPolarHBondContact O-CB 3.25Å; Q156-E160 WeakPolarHBondContact O-CG 3.26Å; Q156-E160 PolarHBondContact O-N 2.63Å
157	L	93.1	Very high	92.2	Very high	95 Å²	95	108.3 Å²	108.3	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-36.8	176.7	-72.4	165.7	0	0	0	112.4	K153 Q154 Q161	K153-L157 WeakPolarHBondContact O-CG 3.48Å; K153-L157 PolarHBondContact O-N 3.29Å; Q154-L157 PolarHBondContact O-N 3.47Å; L157-Q161 WeakPolarHBondContact O-CB 3.44Å; L157-Q161 VanDerWaalsContact O-CG 3.28Å; L157-Q161 WeakPolarHBondContact O-CG 3.24Å; L157-Q161 PolarHBondContact O-N 3.47Å
158	E	91.1	Very high	91.8	Very high	101 Å²	101	108.1 Å²	108.1	47%	0.472	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-39.5	174.8	-72.6	168	-172.8	0	0	111.7	Q154 Q155 Q156 F162	Q154-E158 HydrophobicContact CG-CG 4.49Å; Q154-E158 VanDerWaalsContact CG-OE1 3.27Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.3Å; Q154-E158 PolarHBondContact NE2-OE1 2.72Å; Q154-E158 WeakPolarHBondContact O-CG 3.32Å; Q154-E158 PolarHBondContact O-N 2.99Å; Q155-E158 PolarHBondContact O-N 3.45Å; Q156-E158 VanDerWaalsContact C-N 3.3Å; Q156-E158 PolarHBondContact O-N 3.42Å; E158-F162 WeakPolarHBondContact O-CB 3.35Å; E158-F162 PolarHBondContact O-N 2.91Å
159	Q	90.2	Very high	91.4	Very high	140 Å²	140	105.7 Å²	105.7	65%	0.654	52%	0.518	S	S	*	.	H	α-helix	trans	-67.9	-41.3	172.6	-76.8	-169.4	-52.1	0	0	113.1	Q155 Q156 F162 H163	Q155-Q159 WeakPolarHBondContact O-CG 3.34Å; Q155-Q159 PolarHBondContact O-N 3.4Å; Q156-Q159 PolarHBondContact O-N 2.99Å; Q159-F162 PolarHBondContact O-N 3.42Å; Q159-H163 PolarHBondContact O-N 2.94Å
160	E	91.5	Very high	91.1	Very high	125 Å²	125	109.2 Å²	109.2	58%	0.584	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-42.4	176.6	-75.2	173.9	-178.5	0	0	111.1	Q156 A164	Q156-E160 WeakPolarHBondContact O-CB 3.25Å; Q156-E160 WeakPolarHBondContact O-CG 3.26Å; Q156-E160 PolarHBondContact O-N 2.63Å; E160-A164 VanDerWaalsContact O-CB 3.31Å; E160-A164 WeakPolarHBondContact O-CB 3.41Å; E160-A164 PolarHBondContact O-N 3.42Å
161	Q	90.6	Very high	90.6	Very high	140 Å²	140	110.1 Å²	110.1	65%	0.654	52%	0.522	S	S	*	.	H	α-helix	trans	-63.4	-40.1	172.8	-74.5	177.1	29.3	0	0	112.3	L157 F165	L157-Q161 WeakPolarHBondContact O-CB 3.44Å; L157-Q161 VanDerWaalsContact O-CG 3.28Å; L157-Q161 WeakPolarHBondContact O-CG 3.24Å; L157-Q161 PolarHBondContact O-N 3.47Å; Q161-F165 WeakPolarHBondContact O-CB 3.4Å; Q161-F165 PolarHBondContact O-N 3.37Å
162	F	92.1	Very high	90	Very high	125 Å²	125	109.1 Å²	109.1	55%	0.548	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-47.1	177.4	-174.4	-93.4	0	0	0	112.3	E158 Q159 F165 E166	E158-F162 WeakPolarHBondContact O-CB 3.35Å; E158-F162 PolarHBondContact O-N 2.91Å; Q159-F162 PolarHBondContact O-N 3.42Å; F162-F165 WeakPolarHBondContact O-CB 3.25Å; F162-F165 PolarHBondContact O-N 3.3Å; F162-F165 VanDerWaalsContact O-N 3.16Å; F162-E166 HydrophobicContact CD1-CG 4.2Å; F162-E166 VanDerWaalsContact CE1-CD 3.41Å; F162-E166 HydrophobicContact CE1-CG 3.76Å; F162-E166 WeakPolarHBondContact CE1-OE1 3.48Å; F162-E166 HydrophobicContact CZ-CG 4.19Å; F162-E166 PolarHBondContact O-N 3.15Å
163	H	91.1	Very high	89.7	Confident	125 Å²	125	110.3 Å²	110.3	58%	0.579	52%	0.523	S	S	*	.	H	α-helix	trans	-65.9	-37.9	176.6	-96.5	-29.3	0	0	0	112.8	Q159 F165 E166 E167	Q159-H163 PolarHBondContact O-N 2.94Å; H163-F165 PolarHBondContact O-N 2.91Å; H163-E166 IonicContact CE1-OE2 2.71Å; H163-E166 PolarHBondContact CE1-OE2 2.91Å; H163-E166 IonicContact ND1-OE2 3.9Å; H163-E166 PolarHBondContact ND1-OE2 3.19Å; H163-E166 PolarHBondContact O-N 2.97Å; H163-E167 WeakPolarHBondContact O-CB 3.24Å; H163-E167 PolarHBondContact O-N 3.31Å
164	A	91.1	Very high	89	Confident	61 Å²	61	108.1 Å²	108.1	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-33.4	173.1	0	0	0	0	0	112.1	E160 M168	E160-A164 VanDerWaalsContact O-CB 3.31Å; E160-A164 WeakPolarHBondContact O-CB 3.41Å; E160-A164 PolarHBondContact O-N 3.42Å; A164-M168 VanDerWaalsContact O-CB 3.26Å; A164-M168 WeakPolarHBondContact O-CB 3.34Å; A164-M168 PolarHBondContact O-N 2.93Å
165	F	90.9	Very high	88.4	Confident	114 Å²	114	109 Å²	109	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-71.5	-43.5	174.1	-177	-97.2	0	0	0	112.6	Q161 F162 H163 M168 I169	Q161-F165 WeakPolarHBondContact O-CB 3.4Å; Q161-F165 PolarHBondContact O-N 3.37Å; F162-F165 WeakPolarHBondContact O-CB 3.25Å; F162-F165 PolarHBondContact O-N 3.3Å; F162-F165 VanDerWaalsContact O-N 3.16Å; H163-F165 PolarHBondContact O-N 2.91Å; F165-M168 HydrophobicContact CD2-CE 3.75Å; F165-M168 HydrophobicContact CE2-CE 4.41Å; F165-M168 PolarHBondContact O-N 2.9Å; F165-I169 HydrophobicContact CD1-CD1 4.14Å; F165-I169 HydrophobicContact CE1-CD1 3.49Å; F165-I169 VanDerWaalsContact CE1-CD1 3.49Å; F165-I169 HydrophobicContact CE1-CG1 4.41Å; F165-I169 HydrophobicContact CZ-CD1 3.77Å; F165-I169 PolarHBondContact O-N 2.87Å
166	E	88.8	Confident	87.8	Confident	91 Å²	91	108.8 Å²	108.8	43%	0.425	52%	0.518	S	S	.	.	H	α-helix	trans	-59.5	-46.8	172.7	-73.2	-172.3	134.3	0	0	112.2	F162 H163 M168 I169 R170	F162-E166 HydrophobicContact CD1-CG 4.2Å; F162-E166 VanDerWaalsContact CE1-CD 3.41Å; F162-E166 HydrophobicContact CE1-CG 3.76Å; F162-E166 WeakPolarHBondContact CE1-OE1 3.48Å; F162-E166 HydrophobicContact CZ-CG 4.19Å; F162-E166 PolarHBondContact O-N 3.15Å; H163-E166 IonicContact CE1-OE2 2.71Å; H163-E166 PolarHBondContact CE1-OE2 2.91Å; H163-E166 IonicContact ND1-OE2 3.9Å; H163-E166 PolarHBondContact ND1-OE2 3.19Å; H163-E166 PolarHBondContact O-N 2.97Å; E166-M168 VanDerWaalsContact C-N 3.34Å; E166-M168 PolarHBondContact O-N 2.89Å; E166-I169 PolarHBondContact O-N 3.48Å; E166-R170 PolarHBondContact O-N 3.07Å
167	E	88.3	Confident	87.1	Confident	99 Å²	99	109 Å²	109	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-66.2	-37	179.7	-179.8	157.7	-119.4	0	0	111.9	H163 I169 R170 N171	H163-E167 WeakPolarHBondContact O-CB 3.24Å; H163-E167 PolarHBondContact O-N 3.31Å; E167-I169 PolarHBondContact O-N 2.96Å; E167-R170 PolarHBondContact O-N 3.33Å; E167-R170 IonicContact OE1-CZ 3.76Å; E167-R170 IonicContact OE1-NH2 2.64Å; E167-R170 PolarHBondContact OE1-NH2 2.93Å; E167-N171 VanDerWaalsContact O-CB 3.3Å; E167-N171 WeakPolarHBondContact O-CB 3.41Å; E167-N171 PolarHBondContact O-N 3.41Å; E167-N171 PolarHBondContact O-ND2 2.92Å
168	M	86.8	Confident	86.2	Confident	110 Å²	110	113.7 Å²	113.7	54%	0.542	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-41.5	171.7	174.3	168.5	46.8	0	0	112.3	A164 F165 E166 Q172	A164-M168 VanDerWaalsContact O-CB 3.26Å; A164-M168 WeakPolarHBondContact O-CB 3.34Å; A164-M168 PolarHBondContact O-N 2.93Å; F165-M168 HydrophobicContact CD2-CE 3.75Å; F165-M168 HydrophobicContact CE2-CE 4.41Å; F165-M168 PolarHBondContact O-N 2.9Å; E166-M168 VanDerWaalsContact C-N 3.34Å; E166-M168 PolarHBondContact O-N 2.89Å; M168-Q172 WeakPolarHBondContact O-CB 3.5Å; M168-Q172 PolarHBondContact O-N 3.35Å
169	I	87	Confident	85.3	Confident	78 Å²	78	114.9 Å²	114.9	40%	0.4	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-49.7	174.2	-72.1	-178.6	0	0	0	110.7	F165 E166 E167 N171 Q172 E173	F165-I169 HydrophobicContact CD1-CD1 4.14Å; F165-I169 HydrophobicContact CE1-CD1 3.49Å; F165-I169 VanDerWaalsContact CE1-CD1 3.49Å; F165-I169 HydrophobicContact CE1-CG1 4.41Å; F165-I169 HydrophobicContact CZ-CD1 3.77Å; F165-I169 PolarHBondContact O-N 2.87Å; E166-I169 PolarHBondContact O-N 3.48Å; E167-I169 PolarHBondContact O-N 2.96Å; I169-N171 VanDerWaalsContact C-N 3.29Å; I169-N171 PolarHBondContact O-N 3.49Å; I169-Q172 CarbonylContact O-C 3.51Å; I169-Q172 WeakPolarHBondContact O-CB 3.41Å; I169-Q172 PolarHBondContact O-N 3.11Å; I169-E173 PolarHBondContact O-N 3.34Å
170	R	86.9	Confident	84.5	Confident	133 Å²	133	114.9 Å²	114.9	50%	0.502	54%	0.537	S	S	.	.	H	α-helix	trans	-57.6	-41.4	179.2	-173.6	-177.1	68.8	-172.6	-1.9	112.2	E166 E167 E173 L174	E166-R170 PolarHBondContact O-N 3.07Å; E167-R170 PolarHBondContact O-N 3.33Å; E167-R170 IonicContact OE1-CZ 3.76Å; E167-R170 IonicContact OE1-NH2 2.64Å; E167-R170 PolarHBondContact OE1-NH2 2.93Å; R170-E173 PolarHBondContact O-N 3.42Å; R170-L174 HydrophobicContact CG-CD1 4.34Å; R170-L174 WeakPolarHBondContact O-CG 3.5Å; R170-L174 PolarHBondContact O-N 3.32Å
171	N	83.8	Confident	83.1	Confident	76 Å²	76	113.2 Å²	113.2	41%	0.406	53%	0.531	S	S	.	.	H	α-helix	trans	-67.2	-37.6	176.8	-69.9	-16.3	0	0	0	111.6	E167 I169 E173 L174 E175	E167-N171 VanDerWaalsContact O-CB 3.3Å; E167-N171 WeakPolarHBondContact O-CB 3.41Å; E167-N171 PolarHBondContact O-N 3.41Å; E167-N171 PolarHBondContact O-ND2 2.92Å; I169-N171 VanDerWaalsContact C-N 3.29Å; I169-N171 PolarHBondContact O-N 3.49Å; N171-E173 VanDerWaalsContact C-N 3.33Å; N171-E173 PolarHBondContact O-N 2.89Å; N171-L174 PolarHBondContact O-N 3.42Å; N171-E175 PolarHBondContact O-N 3.5Å
172	Q	82.9	Confident	81.8	Confident	102 Å²	102	111.5 Å²	111.5	48%	0.477	53%	0.53	S	S	.	.	H	α-helix	trans	-69.6	-28.2	175.1	-161.8	-170.8	95.2	0	0	112.8	M168 I169 K176	M168-Q172 WeakPolarHBondContact O-CB 3.5Å; M168-Q172 PolarHBondContact O-N 3.35Å; I169-Q172 CarbonylContact O-C 3.51Å; I169-Q172 WeakPolarHBondContact O-CB 3.41Å; I169-Q172 PolarHBondContact O-N 3.11Å; Q172-K176 WeakPolarHBondContact O-CD 3.42Å; Q172-K176 VanDerWaalsContact O-CG 3.27Å; Q172-K176 WeakPolarHBondContact O-CG 3.46Å; Q172-K176 PolarHBondContact O-N 2.76Å
173	E	85.4	Confident	80.3	Confident	120 Å²	120	113.7 Å²	113.7	56%	0.561	54%	0.542	S	S	*	.	H	α-helix	trans	-71.1	-45.9	169.7	-68.6	-175.1	144.4	0	0	111.4	I169 R170 N171 E175 K176 E177	I169-E173 PolarHBondContact O-N 3.34Å; R170-E173 PolarHBondContact O-N 3.42Å; N171-E173 VanDerWaalsContact C-N 3.33Å; N171-E173 PolarHBondContact O-N 2.89Å; E173-E175 VanDerWaalsContact C-N 3.3Å; E173-E175 PolarHBondContact O-N 3.48Å; E173-K176 PolarHBondContact O-N 3.13Å; E173-K176 VanDerWaalsContact O-N 3.14Å; E173-E177 PolarHBondContact O-N 2.86Å
174	L	80.3	Confident	78.7	Confident	88 Å²	88	115 Å²	115	46%	0.461	55%	0.549	S	S	.	.	H	α-helix	trans	-59.8	-35.6	173.9	-75.4	166.5	0	0	0	112.9	R170 N171 R178	R170-L174 HydrophobicContact CG-CD1 4.34Å; R170-L174 WeakPolarHBondContact O-CG 3.5Å; R170-L174 PolarHBondContact O-N 3.32Å; N171-L174 PolarHBondContact O-N 3.42Å; L174-R178 WeakPolarHBondContact O-CB 3.07Å; L174-R178 PolarHBondContact O-N 2.84Å
175	E	80.1	Confident	76.9	Confident	134 Å²	134	120.1 Å²	120.1	63%	0.626	56%	0.56	S	S	*	*	H	α-helix	trans	-67.2	-43.1	172.5	-79.7	-165.1	133.4	0	0	112.4	N171 E173 E177 R178 L179	N171-E175 PolarHBondContact O-N 3.5Å; E173-E175 VanDerWaalsContact C-N 3.3Å; E173-E175 PolarHBondContact O-N 3.48Å; E175-E177 VanDerWaalsContact C-N 3.3Å; E175-E177 PolarHBondContact O-N 3.07Å; E175-R178 PolarHBondContact O-N 2.93Å; E175-L179 WeakPolarHBondContact O-CB 3.29Å; E175-L179 PolarHBondContact O-N 3.41Å
176	K	79.6	Confident	74.7	Confident	115 Å²	115	117.5 Å²	117.5	50%	0.5	56%	0.564	S	S	.	*	H	α-helix	trans	-62.3	-38.4	175.2	-71.5	162.9	-169.7	156.4	0	111.6	Q172 E173 L179 K180	Q172-K176 WeakPolarHBondContact O-CD 3.42Å; Q172-K176 VanDerWaalsContact O-CG 3.27Å; Q172-K176 WeakPolarHBondContact O-CG 3.46Å; Q172-K176 PolarHBondContact O-N 2.76Å; E173-K176 PolarHBondContact O-N 3.13Å; E173-K176 VanDerWaalsContact O-N 3.14Å; K176-L179 PolarHBondContact O-N 2.8Å; K176-K180 PolarHBondContact O-N 2.89Å
177	E	77.3	Confident	72.4	Confident	118 Å²	118	122.5 Å²	122.5	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-71	-40.7	177	-169.5	160.5	-123.6	0	0	112	E173 E175 L179 K180 I181	E173-E177 PolarHBondContact O-N 2.86Å; E175-E177 VanDerWaalsContact C-N 3.3Å; E175-E177 PolarHBondContact O-N 3.07Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 2.75Å; E177-K180 WeakPolarHBondContact O-CB 3.43Å; E177-K180 PolarHBondContact O-N 3.45Å; E177-I181 HydrophobicContact CG-CD1 4.34Å; E177-I181 WeakPolarHBondContact O-CG1 3.45Å; E177-I181 PolarHBondContact O-N 2.99Å
178	R	74	Confident	69.9	Low	192 Å²	192	124.8 Å²	124.8	73%	0.725	61%	0.605	S	S	*	*	H	α-helix	trans	-59.8	-41.6	168.5	-89.4	-172.3	157.9	-159.9	-5.4	112.6	L174 E175 K180 I181 V182	L174-R178 WeakPolarHBondContact O-CB 3.07Å; L174-R178 PolarHBondContact O-N 2.84Å; E175-R178 PolarHBondContact O-N 2.93Å; R178-K180 VanDerWaalsContact C-N 3.33Å; R178-K180 PolarHBondContact O-N 2.91Å; R178-I181 PolarHBondContact O-N 2.85Å; R178-V182 WeakPolarHBondContact O-CG2 3.26Å; R178-V182 PolarHBondContact O-N 3.31Å
179	L	72.2	Confident	67.4	Low	127 Å²	127	126.7 Å²	126.7	67%	0.665	62%	0.618	S	S	*	*	H	α-helix	trans	-61.5	-42	177.1	-120.6	68.9	0	0	0	111.4	E175 K176 E177 Q183	E175-L179 WeakPolarHBondContact O-CB 3.29Å; E175-L179 PolarHBondContact O-N 3.41Å; K176-L179 PolarHBondContact O-N 2.8Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 2.75Å; L179-Q183 VanDerWaalsContact O-CB 3.24Å; L179-Q183 WeakPolarHBondContact O-CB 3.48Å; L179-Q183 PolarHBondContact O-N 3.06Å
180	K	73.2	Confident	65.9	Low	139 Å²	139	128.3 Å²	128.3	60%	0.604	63%	0.633	S	S	*	*	H	α-helix	trans	-56.9	-51.8	170.5	-89.8	-179.2	170.1	-176.4	0	112.3	K176 E177 R178 V182 Q183 E184	K176-K180 PolarHBondContact O-N 2.89Å; E177-K180 WeakPolarHBondContact O-CB 3.43Å; E177-K180 PolarHBondContact O-N 3.45Å; R178-K180 VanDerWaalsContact C-N 3.33Å; R178-K180 PolarHBondContact O-N 2.91Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 2.99Å; K180-Q183 CarbonylContact O-C 3.57Å; K180-Q183 WeakPolarHBondContact O-CA 3.46Å; K180-Q183 WeakPolarHBondContact O-CB 3.5Å; K180-Q183 PolarHBondContact O-N 3.45Å; K180-E184 PolarHBondContact O-N 2.96Å
181	I	62.7	Low	63.3	Low	90 Å²	90	125.2 Å²	125.2	46%	0.462	64%	0.642	S	S	.	*	H	α-helix	trans	-61.9	-40.9	-177.1	-66.7	164.1	0	0	0	111.2	E177 R178 Q183 E184 F185	E177-I181 HydrophobicContact CG-CD1 4.34Å; E177-I181 WeakPolarHBondContact O-CG1 3.45Å; E177-I181 PolarHBondContact O-N 2.99Å; R178-I181 PolarHBondContact O-N 2.85Å; I181-Q183 VanDerWaalsContact C-N 3.31Å; I181-Q183 PolarHBondContact O-N 2.93Å; I181-E184 PolarHBondContact O-N 3.46Å; I181-F185 HydrophobicContact CG2-CD2 4.49Å; I181-F185 PolarHBondContact O-N 2.73Å
182	V	63.3	Low	60.9	Low	105 Å²	105	130.7 Å²	130.7	64%	0.636	67%	0.671	S	S	*	*	H	α-helix	trans	-65	-36	173.8	171.9	0	0	0	0	111.5	R178 K180 G186	R178-V182 WeakPolarHBondContact O-CG2 3.26Å; R178-V182 PolarHBondContact O-N 3.31Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 2.99Å; V182-G186 WeakPolarHBondContact O-CA 3.2Å; V182-G186 PolarHBondContact O-N 3.03Å
183	Q	60.8	Low	58.3	Low	171 Å²	171	129.7 Å²	129.7	80%	0.799	69%	0.688	S	S	*	*	H	α-helix	trans	-72.7	-26.6	176.9	-167.9	170.7	27	0	0	113.4	L179 K180 I181	L179-Q183 VanDerWaalsContact O-CB 3.24Å; L179-Q183 WeakPolarHBondContact O-CB 3.48Å; L179-Q183 PolarHBondContact O-N 3.06Å; K180-Q183 CarbonylContact O-C 3.57Å; K180-Q183 WeakPolarHBondContact O-CA 3.46Å; K180-Q183 WeakPolarHBondContact O-CB 3.5Å; K180-Q183 PolarHBondContact O-N 3.45Å; I181-Q183 VanDerWaalsContact C-N 3.31Å; I181-Q183 PolarHBondContact O-N 2.93Å
184	E	57.7	Low	55.7	Low	152 Å²	152	127.6 Å²	127.6	71%	0.71	70%	0.699	S	S	*	*	H	α-helix	trans	-83.7	-37.9	175.2	-73.7	-175.1	136.5	0	0	113.5	K180 I181	K180-E184 PolarHBondContact O-N 2.96Å; I181-E184 PolarHBondContact O-N 3.46Å
185	F	52.3	Low	54.8	Low	169 Å²	169	129.1 Å²	129.1	74%	0.741	71%	0.714	S	S	*	*	H	α-helix	trans	-107.9	-3.8	-172.4	-73.6	-88.9	0	0	0	115.5	I181 K187	I181-F185 HydrophobicContact CG2-CD2 4.49Å; I181-F185 PolarHBondContact O-N 2.73Å; F185-K187 PolarHBondContact O-N 3.35Å
186	G	45	Very low	52.5	Low	58 Å²	58	130.7 Å²	130.7	60%	0.598	73%	0.725	S	S	*	*			trans	-76.3	81.7	-175.6	0	0	0	0	0	115.7	V182	V182-G186 WeakPolarHBondContact O-CA 3.2Å; V182-G186 PolarHBondContact O-N 3.03Å
187	K	41.2	Very low	50.6	Low	197 Å²	197	130.8 Å²	130.8	86%	0.857	74%	0.735	S	S	*	*			trans	-142.2	142.8	162.4	-85.1	-165.2	175.9	179	0	115	F185	F185-K187 PolarHBondContact O-N 3.35Å
188	V	34.5	Very low	49.2	Very low	147 Å²	147	130.9 Å²	130.9	89%	0.891	75%	0.746	S	S	*	*			trans	95.6	125.4	167.1	-169.4	0	0	0	0	117.1
189	D	34.6	Very low	47.4	Very low	149 Å²	149	127.7 Å²	127.7	80%	0.797	74%	0.744	S	S	*	*			trans	-154.4	159.7	171.4	-170.7	46.3	0	0	0	103.7
190	P	57	Low	45.8	Very low	113 Å²	113	128.8 Å²	128.8	73%	0.734	75%	0.75	S	S	*	*			cis	-133.2	-178.5	4.3	43.1	-27.2	0	0	0	116.1
191	G	30.8	Very low	43.6	Very low	67 Å²	67	130.8 Å²	130.8	69%	0.691	76%	0.761	S	S	*	*			trans	129.2	111.4	130.5	0	0	0	0	0	120.9
192	L	33.7	Very low	42.3	Very low	192 Å²	192	135.4 Å²	135.4	100%	1.005	78%	0.778	S	S	*	*			trans	56.4	122.6	138.4	-93.3	135.6	0	0	0	122.5
193	G	28.4	Very low	41.5	Very low	81 Å²	81	135.5 Å²	135.5	84%	0.835	78%	0.781	S	S	*	*			trans	162.1	105.8	156.3	0	0	0	0	0	115.6
194	G	30.5	Very low	40.4	Very low	76 Å²	76	132 Å²	132	78%	0.784	77%	0.774	S	S	*	*			trans	-109.7	-161	163.5	0	0	0	0	0	111.2
195	P	61.9	Low	39.4	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	77%	0.774	S	S	*	*			cis	-134.8	-179.5	1.3	42.3	-26.1	0	0	0	114.7
196	L	31.1	Very low	38.6	Very low	166 Å²	166	129.4 Å²	129.4	87%	0.869	77%	0.773	S	S	*	*				171.6	154.5	128.5	-92.3	165.8	0	0	0	112.4
197	V	41	Very low	37.8	Very low	117 Å²	117	133.1 Å²	133.1	71%	0.709	78%	0.783	S	S	*	*			trans	-140.6	151.7	176.4	-138.4	0	0	0	0	108.3
198	P	47.5	Very low	37.6	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	78%	0.784	S	S	*	*				-149.8	-179	89.3	34.2	-13.9	0	0	0	114.5
199	D	36	Very low	38.5	Very low	124 Å²	124	131.3 Å²	131.3	66%	0.663	78%	0.775	S	S	*	*			cis	-166	166.3	-46.1	-117.8	-66.2	0	0	0	110.5
200	L	38.5	Very low	38.2	Very low	151 Å²	151	130.3 Å²	130.3	79%	0.791	77%	0.774	S	S	*	*			trans	64.3	148.6	159.5	-70.5	164.5	0	0	0	120
201	E	27.8	Very low	37.3	Very low	181 Å²	181	130 Å²	130	85%	0.846	78%	0.775	S	S	*	*			cis	-126.5	178.1	11.8	-76.5	-162.2	121.5	0	0	115.5
202	K	35	Very low	38	Very low	187 Å²	187	132.3 Å²	132.3	81%	0.813	78%	0.778	S	S	*	*			trans	-146	-173.1	-178.9	-123.2	-162.6	175.9	-178	0	109
203	P	45.6	Very low	37.9	Very low	107 Å²	107	129.5 Å²	129.5	70%	0.695	77%	0.768	S	S	*	*			cis	-106.7	-151.4	4.7	26.6	-2.6	0	0	0	111.3
204	S	38.3	Very low	38.2	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	76%	0.76	S	S	*	*			cis	-146	173.1	10.9	-58.5	0	0	0	0	109
205	L	37.7	Very low	38.3	Very low	134 Å²	134	131.6 Å²	131.6	70%	0.702	76%	0.758	S	S	*	*			cis	75.6	126.6	24.4	-46.5	-175	0	0	0	115.6
206	D	33.5	Very low	36.8	Very low	133 Å²	133	132.3 Å²	132.3	71%	0.711	76%	0.76	S	S	*	*			cis	-150.5	171.7	-13.3	-89.7	-39.5	0	0	0	107
207	V	29.9	Very low	36.9	Very low	136 Å²	136	132.9 Å²	132.9	82%	0.824	76%	0.759	S	S	*	*				-179	139.3	72.6	162.8	0	0	0	0	109.9
208	F	35.7	Very low	37.4	Very low	198 Å²	198	132.7 Å²	132.7	87%	0.868	76%	0.76	S	S	*	*			trans	-104.7	174.5	161.8	-81.8	-85.3	0	0	0	109.2
209	P	53.9	Low	36.6	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	76%	0.755	S	S	*	*			cis	-129.4	-150.6	11.3	30	-2.5	0	0	0	111.2
210	T	27.8	Very low	36.3	Very low	128 Å²	128	132.4 Å²	132.4	79%	0.785	76%	0.759	S	S	*	*			cis	-163.7	146.8	20.7	-20.7	0	0	0	0	112.3
211	S	39.4	Very low	35.8	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	76%	0.757	S	S	*	*			trans	-93.4	166.7	158.2	-48.4	0	0	0	0	110
212	P	44.4	Very low	36	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	75%	0.753	S	S	*	*				-155.8	152.4	93.9	40.1	-21.6	0	0	0	117.9
213	V	31.4	Very low	35.6	Very low	133 Å²	133	126 Å²	126	81%	0.806	75%	0.747	S	S	*	*				48.9	141	128	179.7	0	0	0	0	120.5
214	S	34.4	Very low	34.8	Very low	96 Å²	96	127.7 Å²	127.7	67%	0.671	76%	0.755	S	S	*	*			cis	-173.3	172.4	-20	-85.8	0	0	0	0	108.8
215	S	33.8	Very low	34.5	Very low	105 Å²	105	129.5 Å²	129.5	73%	0.734	76%	0.762	S	S	*	*			trans	13.2	144.4	153.1	60.2	0	0	0	0	121
216	T	29.4	Very low	34.2	Very low	135 Å²	135	134.9 Å²	134.9	83%	0.828	77%	0.773	S	S	*	*				-170.2	168.1	50.6	-31.8	0	0	0	0	112.6
217	Q	34.1	Very low	34.4	Very low	179 Å²	179	134 Å²	134	84%	0.836	77%	0.774	S	S	*	*			trans	-84.2	-177.9	169	-79.4	179.4	-42.7	0	0	113.1
218	P	51	Low	34.8	Very low	113 Å²	113	132.1 Å²	132.1	73%	0.734	77%	0.773	S	S	*	*			cis	-135.5	-166.1	-30.7	32.9	-11.6	0	0	0	114.3
219	S	30.7	Very low	35	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	77%	0.772	S	S	*	*			trans	95.6	119.8	145.9	-87.8	0	0	0	0	123.7
220	D	29.3	Very low	34.6	Very low	140 Å²	140	131.8 Å²	131.8	75%	0.749	77%	0.771	S	S	*	*			trans	74.2	107.4	131.1	-63.9	-52.5	0	0	0	124.7
221	C	27.8	Very low	35.2	Very low	109 Å²	109	131.3 Å²	131.3	74%	0.736	77%	0.77	S	S	*	*				116.8	143.4	115.2	87.5	0	0	0	0	122
222	H	31.9	Very low	35.2	Very low	166 Å²	166	132.6 Å²	132.6	77%	0.769	77%	0.774	S	S	*	*			trans	70.1	100.1	153.6	-73.6	-58.4	0	0	0	124.4
223	T	27	Very low	35.2	Very low	111 Å²	111	132.4 Å²	132.4	68%	0.681	77%	0.77	S	S	*	*				85.4	101.9	123.4	-43.3	0	0	0	0	120.4
224	T	29.3	Very low	35.8	Very low	142 Å²	142	131.8 Å²	131.8	87%	0.871	76%	0.762	S	S	*	*				-169.6	162.7	109.3	20.7	0	0	0	0	111.6
225	V	32	Very low	36.5	Very low	134 Å²	134	136.9 Å²	136.9	81%	0.812	77%	0.767	S	S	*	*			trans	-110.2	133.8	-166.1	174.1	0	0	0	0	112.9
226	R	32.2	Very low	37	Very low	246 Å²	246	135.9 Å²	135.9	93%	0.928	76%	0.76	S	S	*	*			trans	-157.7	114.4	146.4	-115.5	178.4	-175.6	-161.3	0.7	111.6
227	P	36.8	Very low	37.6	Very low	114 Å²	114	137 Å²	137	74%	0.74	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-77	136.7	173.9	30.9	-33.1	0	0	0	111
228	A	39.3	Very low	37.8	Very low	98 Å²	98	136.7 Å²	136.7	81%	0.81	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-69.7	138.8	165.8	0	0	0	0	0	109.7
229	K	40.1	Very low	37	Very low	193 Å²	193	136.7 Å²	136.7	84%	0.839	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-71.1	143	176.2	-69.2	-176.4	177.5	-177.5	0	110.3
230	P	44.7	Very low	37.3	Very low	105 Å²	105	135.1 Å²	135.1	68%	0.682	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-63.4	157.7	165.3	30	-35.1	0	0	0	110.4	V232	P230-V232 PolarHBondContact O-N 3.4Å
231	P	39.2	Very low	37.4	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-62.1	131.8	-179.5	25.7	-34.3	0	0	0	111.2	V233	P231-V233 PolarHBondContact O-N 2.74Å; P231-V233 VanDerWaalsContact O-N 3.13Å
232	V	39.8	Very low	37.8	Very low	135 Å²	135	135.7 Å²	135.7	82%	0.818	76%	0.764	S	S	*	*			trans	-74.7	102.4	172.4	179	0	0	0	0	107.9	P230 D234	P230-V232 PolarHBondContact O-N 3.4Å; V232-D234 PolarHBondContact O-N 2.91Å
233	V	44.3	Very low	37.8	Very low	110 Å²	110	133 Å²	133	67%	0.667	76%	0.764	S	S	*	*			trans	-74.1	103.8	168.7	179.9	0	0	0	0	107.7	P231	P231-V233 PolarHBondContact O-N 2.74Å; P231-V233 VanDerWaalsContact O-N 3.13Å
234	D	45.5	Very low	38.1	Very low	120 Å²	120	135 Å²	135	64%	0.642	77%	0.77	S	S	*	*			trans	-62.2	137.7	168.5	-174.1	13.6	0	0	0	109.8	V232 S236	V232-D234 PolarHBondContact O-N 2.91Å; D234-S236 VanDerWaalsContact OD1-CB 3.29Å; D234-S236 WeakPolarHBondContact OD1-CB 3.44Å; D234-S236 PolarHBondContact OD1-N 3.5Å; D234-S236 PolarHBondContact OD1-OG 3.02Å; D234-S236 WeakPolarHBondContact OD2-CB 3.26Å; D234-S236 PolarHBondContact OD2-OG 3.37Å
235	R	48.5	Very low	38.5	Very low	204 Å²	204	131.8 Å²	131.8	77%	0.77	75%	0.753	S	S	*	*			trans	-115.5	3.4	-178.9	-64.4	-177.5	177.3	-175.6	-1.6	112.5	L237 K238	R235-L237 PolarHBondContact O-N 3.31Å; R235-K238 PolarHBondContact O-N 2.89Å; R235-K238 VanDerWaalsContact O-N 3.1Å
236	S	44.4	Very low	39	Very low	84 Å²	84	134.9 Å²	134.9	59%	0.587	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	-26.7	-178.8	61.4	0	0	0	0	115.1	D234	D234-S236 VanDerWaalsContact OD1-CB 3.29Å; D234-S236 WeakPolarHBondContact OD1-CB 3.44Å; D234-S236 PolarHBondContact OD1-N 3.5Å; D234-S236 PolarHBondContact OD1-OG 3.02Å; D234-S236 WeakPolarHBondContact OD2-CB 3.26Å; D234-S236 PolarHBondContact OD2-OG 3.37Å
237	L	41.5	Very low	39.9	Very low	159 Å²	159	125.5 Å²	125.5	83%	0.832	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	15.7	-177	-60.6	178.8	0	0	0	114.5	R235 P239	R235-L237 PolarHBondContact O-N 3.31Å; L237-P239 WeakPolarHBondContact O-CD 3.48Å
238	K	37.6	Very low	40.9	Very low	172 Å²	172	123.2 Å²	123.2	75%	0.748	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-71.4	122.4	171.7	-171	179.7	179.8	-175.3	0	109.1	R235 G240	R235-K238 PolarHBondContact O-N 2.89Å; R235-K238 VanDerWaalsContact O-N 3.1Å; K238-G240 PolarHBondContact O-N 3.32Å
239	P	36.1	Very low	42.1	Very low	113 Å²	113	123.4 Å²	123.4	73%	0.734	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-58.4	130.3	173.2	-22.6	34.1	0	0	0	110.1	L237	L237-P239 WeakPolarHBondContact O-CD 3.48Å
240	G	36.1	Very low	43.7	Very low	65 Å²	65	117.7 Å²	117.7	67%	0.67	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.2	147.8	171.7	0	0	0	0	0	110.6	K238 L242	K238-G240 PolarHBondContact O-N 3.32Å; G240-L242 PolarHBondContact O-N 2.84Å
241	A	32	Very low	45.1	Very low	101 Å²	101	115.5 Å²	115.5	84%	0.835	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-59.4	138.8	172.6	0	0	0	0	0	109.6	S243	A241-S243 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 3.39Å
242	L	36.6	Very low	46.8	Very low	160 Å²	160	115.9 Å²	115.9	84%	0.838	66%	0.664	S	S	*	*			trans	-70.9	86.3	-177.2	-70.3	167.7	0	0	0	110.6	G240 N244	G240-L242 PolarHBondContact O-N 2.84Å; L242-N244 PolarHBondContact O-N 2.93Å; L242-N244 VanDerWaalsContact O-N 3.12Å
243	S	31.5	Very low	48.7	Very low	110 Å²	110	112.2 Å²	112.2	77%	0.769	65%	0.654	S	S	*	*			trans	-71.6	98.8	166.2	-171.5	0	0	0	0	108.6	A241 S245	A241-S243 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 3.39Å; S243-S245 VanDerWaalsContact C-N 3.3Å; S243-S245 PolarHBondContact O-N 3.4Å
244	N	33.1	Very low	50.8	Low	152 Å²	152	108.1 Å²	108.1	81%	0.813	63%	0.628	S	S	*	*			trans	-72.4	83.4	179	-84	7.4	0	0	0	111	L242	L242-N244 PolarHBondContact O-N 2.93Å; L242-N244 VanDerWaalsContact O-N 3.12Å
245	S	38.3	Very low	53.1	Low	74 Å²	74	103.8 Å²	103.8	52%	0.517	60%	0.602	S	S	.	*			trans	-132.5	111.2	161.5	-176	0	0	0	0	108.7	S243 S247	S243-S245 VanDerWaalsContact C-N 3.3Å; S243-S245 PolarHBondContact O-N 3.4Å; S245-S247 PolarHBondContact O-N 3.38Å; S245-S247 PolarHBondContact OG-OG 2.78Å
246	E	42.1	Very low	55.3	Low	200 Å²	200	95 Å²	95	94%	0.935	57%	0.57	S	S	*	*			trans	-75.1	32.4	176.1	-62.3	-171	122.2	0	0	112.7
247	S	51	Low	57.8	Low	48 Å²	48	91 Å²	91	34%	0.336	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-85.1	128.3	174.4	51.5	0	0	0	0	110.2	S245	S245-S247 PolarHBondContact O-N 3.38Å; S245-S247 PolarHBondContact OG-OG 2.78Å
248	I	57.3	Low	60.5	Low	67 Å²	67	83.7 Å²	83.7	34%	0.344	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-56.2	132.3	172.9	-65.8	176	0	0	0	108.9	H256 E293	I248-H256 HydrophobicContact CG2-CB 4.33Å; I248-E293 HydrophobicContact CD1-CB 4.08Å; I248-E293 WeakPolarHBondContact CD1-OE1 3.4Å
249	P	64.1	Low	63.3	Low	102 Å²	102	75.6 Å²	75.6	66%	0.662	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-62.5	141.4	-174.8	24.6	-34.7	0	0	0	111.6
250	T	73.8	Confident	66.3	Low	73 Å²	73	70.4 Å²	70.4	45%	0.448	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-70.9	136.9	173	44.5	0	0	0	0	110.5	L254 R255	T250-L254 CarbonylContact C-O 3.58Å; T250-L254 WeakPolarHBondContact CA-O 3.37Å; T250-L254 VanDerWaalsContact CB-O 3.28Å; T250-L254 WeakPolarHBondContact CB-O 3.47Å; T250-R255 HydrophobicContact CG2-CG 4.3Å
251	I	74.3	Confident	69.1	Low	59 Å²	59	68.8 Å²	68.8	30%	0.303	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-100.4	118.9	178.6	-61	169.8	0	0	0	106.9	G253 L254 H410	I251-G253 PolarHBondContact O-N 3.14Å; I251-G253 VanDerWaalsContact O-N 3.15Å; I251-L254 PolarHBondContact N-O 2.82Å; I251-L254 WeakPolarHBondContact O-CB 3.43Å; I251-L254 PolarHBondContact O-N 3.25Å; I251-H410 HydrophobicContact CB-CB 4.13Å; I251-H410 HydrophobicContact CG2-CB 4.44Å
252	D	74.3	Confident	72.1	Confident	125 Å²	125	70 Å²	70	67%	0.668	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	32.7	-172.6	-50.6	-34.1	0	0	0	113.5	L254 S409	D252-L254 VanDerWaalsContact C-N 3.27Å; D252-L254 PolarHBondContact O-N 3.47Å; D252-S409 WeakPolarHBondContact OD2-CB 3.49Å; D252-S409 PolarHBondContact OD2-OG 3.48Å
253	G	80.8	Confident	75	Confident	59 Å²	59	62.4 Å²	62.4	61%	0.608	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-6.5	-176	0	0	0	0	0	115.4	I251	I251-G253 PolarHBondContact O-N 3.14Å; I251-G253 VanDerWaalsContact O-N 3.15Å
254	L	89.1	Confident	78.1	Confident	24 Å²	24	57.8 Å²	57.8	13%	0.126	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-91.3	148.3	177	-65.5	179.2	0	0	0	112.1	T250 I251 D252 P360 E361 K378 H410	T250-L254 CarbonylContact C-O 3.58Å; T250-L254 WeakPolarHBondContact CA-O 3.37Å; T250-L254 VanDerWaalsContact CB-O 3.28Å; T250-L254 WeakPolarHBondContact CB-O 3.47Å; I251-L254 PolarHBondContact N-O 2.82Å; I251-L254 WeakPolarHBondContact O-CB 3.43Å; I251-L254 PolarHBondContact O-N 3.25Å; D252-L254 VanDerWaalsContact C-N 3.27Å; D252-L254 PolarHBondContact O-N 3.47Å; L254-P360 HydrophobicContact CD2-CB 3.72Å; L254-E361 HydrophobicContact CB-CG 4.13Å; L254-E361 HydrophobicContact CD2-CG 4.25Å; L254-K378 HydrophobicContact CD1-CD 4.2Å; L254-H410 HydrophobicContact CB-CB 3.99Å; L254-H410 HydrophobicContact CD1-CB 4.45Å
255	R	92.3	Very high	81.2	Confident	29 Å²	29	54.2 Å²	54.2	11%	0.109	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-70.9	146.9	170.4	-67.5	166.9	-69.3	166.9	7.2	110.8	Y50 T250 N292 F294 E361 H410	Y50-R255 WeakPolarHBondContact OH-CD 3.31Å; Y50-R255 PolarHBondContact OH-NH1 2.83Å; T250-R255 HydrophobicContact CG2-CG 4.3Å; R255-N292 WeakPolarHBondContact CB-O 3.17Å; R255-N292 WeakPolarHBondContact CD-OD1 3.41Å; R255-F294 HydrophobicContact CB-CD2 4.21Å; R255-F294 HydrophobicContact CB-CE2 4.14Å; R255-E361 HydrophobicContact CB-CG 3.91Å; R255-E361 WeakPolarHBondContact CB-OE1 3.45Å; R255-E361 IonicContact CZ-OE1 3.83Å; R255-E361 IonicContact CZ-OE2 2.62Å; R255-E361 PolarHBondContact N-OE1 3.02Å; R255-E361 VanDerWaalsContact N-OE1 3.17Å; R255-E361 IonicContact NE-OE1 3.84Å; R255-E361 PolarHBondContact NE-OE1 2.94Å; R255-E361 IonicContact NE-OE2 2.77Å; R255-E361 VanDerWaalsContact NH2-CD 3.25Å; R255-E361 IonicContact NH2-OE1 3.7Å; R255-E361 PolarHBondContact NH2-OE1 2.88Å; R255-E361 IonicContact NH2-OE2 3.62Å; R255-E361 PolarHBondContact NH2-OE2 2.98Å; R255-E361 WeakPolarHBondContact O-CG 3.41Å; R255-H410 PolarHBondContact O-CD2 3.09Å
256	H	95.2	Very high	84	Confident	19 Å²	19	54 Å²	54	9%	0.088	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-69.3	141.9	-176.7	-176.6	-126.3	0	0	0	112.2	I248 E293 F294 H410 T412	I248-H256 HydrophobicContact CG2-CB 4.33Å; H256-E293 HydrophobicContact CB-CG 4.4Å; H256-E293 IonicContact CE1-OE1 2.72Å; H256-E293 IonicContact CG-OE1 3.61Å; H256-E293 IonicContact ND1-OE1 3.61Å; H256-E293 PolarHBondContact ND1-OE1 3.46Å; H256-F294 PolarHBondContact O-N 3.14Å; H256-H410 PolarHBondContact CD2-O 3.02Å; H256-H410 VanDerWaalsContact CD2-O 3.29Å; H256-T412 PolarHBondContact CE1-OG1 3.18Å; H256-T412 WeakPolarHBondContact NE2-CB 3.26Å; H256-T412 PolarHBondContact NE2-N 2.75Å; H256-T412 PolarHBondContact NE2-OG1 3.13Å
257	V	97.1	Very high	86.6	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.7	-179.8	177.3	0	0	0	0	110.8	V259 F294 I296 E361 I363 H410 V411 T412	V257-V259 HydrophobicContact CG1-CG2 4.5Å; V257-F294 CarbonylContact C-O 3.51Å; V257-F294 WeakPolarHBondContact CA-O 3.12Å; V257-F294 HydrophobicContact CG2-CB 4.11Å; V257-F294 HydrophobicContact CG2-CD2 4.21Å; V257-I296 HydrophobicContact CG1-CD1 4.29Å; V257-E361 HydrophobicContact CG2-CB 4.02Å; V257-I363 HydrophobicContact CG1-CD1 4.16Å; V257-H410 PolarHBondContact N-O 3.32Å; V257-V411 HydrophobicContact CB-CG2 4.14Å; V257-V411 HydrophobicContact CG1-CG2 4.46Å; V257-V411 WeakPolarHBondContact O-CA 3.27Å; V257-T412 PolarHBondContact O-N 2.57Å
258	V	97.3	Very high	88.9	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.8	177.7	177.5	0	0	0	0	110.7	E293 F294 T295 I296 T412 V414	V258-E293 VanDerWaalsContact CG2-CD 3.41Å; V258-E293 HydrophobicContact CG2-CG 3.92Å; V258-E293 WeakPolarHBondContact CG2-OE1 3.47Å; V258-F294 PolarHBondContact N-O 3Å; V258-T295 HydrophobicContact CB-CG2 4.43Å; V258-T295 HydrophobicContact CG1-CG2 4.37Å; V258-I296 PolarHBondContact O-N 3.08Å; V258-T412 WeakPolarHBondContact CA-O 3.22Å; V258-V414 HydrophobicContact CG1-CB 4.41Å; V258-V414 HydrophobicContact CG1-CG1 4.09Å; V258-V414 HydrophobicContact CG1-CG2 3.4Å; V258-V414 VanDerWaalsContact CG1-CG2 3.4Å
259	V	98.1	Very high	90.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.5	179	-171.4	0	0	0	0	110.4	V257 G261 L263 I296 I363 I365 F376 V411 T412 V413 V414	V257-V259 HydrophobicContact CG1-CG2 4.5Å; V259-G261 PolarHBondContact O-N 2.72Å; V259-L263 HydrophobicContact CG1-CD1 4.22Å; V259-I296 HydrophobicContact CG2-CD1 4.1Å; V259-I363 HydrophobicContact CG2-CD1 3.94Å; V259-I365 HydrophobicContact CG1-CD1 4.17Å; V259-F376 HydrophobicContact CG1-CE1 4.14Å; V259-F376 HydrophobicContact CG2-CE1 4.3Å; V259-V411 HydrophobicContact CG2-CG1 3.67Å; V259-T412 PolarHBondContact N-O 3.27Å; V259-V413 HydrophobicContact CB-CG2 4.45Å; V259-V413 WeakPolarHBondContact O-CA 3.15Å; V259-V414 PolarHBondContact O-N 2.72Å
260	P	97.8	Very high	92.4	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.032	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	122.6	171.3	-20.7	32.5	0	0	0	112	R262 L263 I296 V414 R416 V418	P260-R262 PolarHBondContact O-N 3.02Å; P260-R262 VanDerWaalsContact O-N 3.11Å; P260-L263 HydrophobicContact CB-CB 4.48Å; P260-L263 WeakPolarHBondContact O-CB 3.24Å; P260-L263 PolarHBondContact O-N 3.45Å; P260-I296 WeakPolarHBondContact CD-O 3.41Å; P260-I296 WeakPolarHBondContact CG-O 3.37Å; P260-V414 CarbonylContact C-O 3.46Å; P260-V414 WeakPolarHBondContact CA-O 3.38Å; P260-R416 HydrophobicContact CB-CB 4.36Å; P260-R416 WeakPolarHBondContact CB-O 3.46Å; P260-V418 HydrophobicContact CB-CB 4.05Å; P260-V418 HydrophobicContact CG-CB 4.05Å; P260-V418 HydrophobicContact CG-CG2 4.22Å
261	G	95.1	Very high	93.5	Very high	31 Å²	31	43 Å²	43	32%	0.32	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	-178.7	0	0	0	0	0	114.9	V259 L263 V413 V414	V259-G261 PolarHBondContact O-N 2.72Å; G261-L263 VanDerWaalsContact C-N 3.34Å; G261-V413 VanDerWaalsContact CA-CG1 3.49Å; G261-V414 PolarHBondContact N-O 3.09Å
262	R	95.2	Very high	94.6	Very high	127 Å²	127	43.3 Å²	43.3	48%	0.479	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.4	173.2	-55.4	-61.5	171.6	162.5	-4.2	113.6	P260 P265 Q266 D415 R416	P260-R262 PolarHBondContact O-N 3.02Å; P260-R262 VanDerWaalsContact O-N 3.11Å; R262-P265 WeakPolarHBondContact O-CD 3.47Å; R262-Q266 WeakPolarHBondContact O-CB 3.38Å; R262-Q266 VanDerWaalsContact O-CG 3.29Å; R262-Q266 WeakPolarHBondContact O-CG 3.27Å; R262-Q266 PolarHBondContact O-N 2.59Å; R262-Q266 PolarHBondContact O-OE1 2.9Å; R262-D415 IonicContact CZ-OD1 2.73Å; R262-D415 IonicContact CZ-OD2 3.22Å; R262-D415 IonicContact NE-OD1 3.58Å; R262-D415 PolarHBondContact NE-OD1 2.96Å; R262-D415 IonicContact NE-OD2 3.79Å; R262-D415 IonicContact NH2-OD1 3.1Å; R262-D415 PolarHBondContact NH2-OD1 2.95Å; R262-D415 IonicContact NH2-OD2 3.64Å; R262-D415 PolarHBondContact NH2-OD2 2.75Å; R262-R416 WeakPolarHBondContact CG-O 3.41Å
263	L	97.8	Very high	95.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-55.7	-174.4	-170.4	162.9	0	0	0	112.6	V259 P260 G261 Q266 F267 L285 I296 V299 I334 V418	V259-L263 HydrophobicContact CG1-CD1 4.22Å; P260-L263 HydrophobicContact CB-CB 4.48Å; P260-L263 WeakPolarHBondContact O-CB 3.24Å; P260-L263 PolarHBondContact O-N 3.45Å; G261-L263 VanDerWaalsContact C-N 3.34Å; L263-Q266 PolarHBondContact O-N 2.84Å; L263-F267 VanDerWaalsContact O-CB 3.3Å; L263-F267 WeakPolarHBondContact O-CB 3.32Å; L263-F267 PolarHBondContact O-N 3.49Å; L263-L285 HydrophobicContact CD1-CD2 3.96Å; L263-L285 HydrophobicContact CD2-CD2 4.27Å; L263-I296 HydrophobicContact CD1-CG2 3.68Å; L263-V299 HydrophobicContact CD1-CG2 3.78Å; L263-V299 HydrophobicContact CD2-CG2 4Å; L263-V299 HydrophobicContact CG-CG2 3.71Å; L263-I334 HydrophobicContact CD2-CD1 3.32Å; L263-V418 HydrophobicContact CB-CB 4.43Å; L263-V418 HydrophobicContact CB-CG1 3.97Å; L263-V418 HydrophobicContact CD1-CG2 4.15Å; L263-V418 HydrophobicContact CG-CG1 4.09Å; L263-V418 HydrophobicContact CG-CG2 4.39Å
264	C	97	Very high	96.4	Very high	12 Å²	12	39.6 Å²	39.6	8%	0.081	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-43.9	-177.2	-54.7	0	0	0	0	112.5	Q266 F267 L268 T374	C264-Q266 PolarHBondContact O-N 2.96Å; C264-F267 PolarHBondContact O-N 2.96Å; C264-L268 WeakPolarHBondContact O-CB 3.21Å; C264-L268 VanDerWaalsContact O-CG 3.32Å; C264-L268 WeakPolarHBondContact O-CG 3.37Å; C264-L268 PolarHBondContact O-N 2.84Å; C264-T374 HydrophobicContact CB-CG2 4.38Å
265	P	96.4	Very high	96.8	Very high	78 Å²	78	39.8 Å²	39.8	51%	0.506	22%	0.222	S	C	.	.	H	α-helix	trans	-57.1	-45.8	170.8	-28.3	35.7	0	0	0	114.7	R262 L268 Q269	R262-P265 WeakPolarHBondContact O-CD 3.47Å; P265-L268 PolarHBondContact O-N 3.08Å; P265-Q269 PolarHBondContact O-N 3.33Å
266	Q	97.7	Very high	97	Very high	70 Å²	70	42.8 Å²	42.8	33%	0.327	25%	0.253	S	S	.	.	H	α-helix	trans	-69.5	-36.5	-180	-69.9	178.8	-85.9	0	0	112	R262 L263 C264 Q269 L270 I420	R262-Q266 WeakPolarHBondContact O-CB 3.38Å; R262-Q266 VanDerWaalsContact O-CG 3.29Å; R262-Q266 WeakPolarHBondContact O-CG 3.27Å; R262-Q266 PolarHBondContact O-N 2.59Å; R262-Q266 PolarHBondContact O-OE1 2.9Å; L263-Q266 PolarHBondContact O-N 2.84Å; C264-Q266 PolarHBondContact O-N 2.96Å; Q266-Q269 WeakPolarHBondContact O-CB 3.34Å; Q266-Q269 PolarHBondContact O-N 2.89Å; Q266-L270 PolarHBondContact O-N 3.43Å; Q266-I420 HydrophobicContact CB-CD1 3.64Å
267	F	98.1	Very high	97	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-44.6	174.5	-176.6	-109.3	0	0	0	111.8	L263 C264 Q269 L270 A271 T281 V299 I301 I334 T336 I420	L263-F267 VanDerWaalsContact O-CB 3.3Å; L263-F267 WeakPolarHBondContact O-CB 3.32Å; L263-F267 PolarHBondContact O-N 3.49Å; C264-F267 PolarHBondContact O-N 2.96Å; F267-Q269 VanDerWaalsContact C-N 3.27Å; F267-Q269 PolarHBondContact O-N 2.94Å; F267-L270 PolarHBondContact O-N 3Å; F267-L270 VanDerWaalsContact O-N 3.09Å; F267-A271 WeakPolarHBondContact O-CB 3.44Å; F267-A271 PolarHBondContact O-N 2.99Å; F267-T281 HydrophobicContact CE2-CG2 4.41Å; F267-T281 HydrophobicContact CZ-CG2 4.17Å; F267-T281 WeakPolarHBondContact CZ-O 3.33Å; F267-V299 HydrophobicContact CD2-CG1 4.29Å; F267-I301 HydrophobicContact CD2-CD1 3.96Å; F267-I301 HydrophobicContact CD2-CG1 4.36Å; F267-I301 HydrophobicContact CE2-CD1 3.96Å; F267-I301 HydrophobicContact CE2-CG1 4.1Å; F267-I334 HydrophobicContact CB-CD1 4.14Å; F267-I334 HydrophobicContact CD1-CD1 3.56Å; F267-I334 HydrophobicContact CD1-CG1 3.73Å; F267-I334 HydrophobicContact CD1-CG2 4.46Å; F267-I334 HydrophobicContact CD2-CG2 4.24Å; F267-I334 HydrophobicContact CE1-CB 4.49Å; F267-I334 HydrophobicContact CE1-CD1 4.08Å; F267-I334 HydrophobicContact CE1-CG1 3.7Å; F267-I334 HydrophobicContact CE1-CG2 4.24Å; F267-I334 HydrophobicContact CE2-CG2 4.02Å; F267-I334 HydrophobicContact CG-CD1 3.88Å; F267-I334 HydrophobicContact CG-CG1 4.36Å; F267-I334 HydrophobicContact CG-CG2 4.45Å; F267-I334 HydrophobicContact CZ-CG1 4.32Å; F267-I334 HydrophobicContact CZ-CG2 4.02Å; F267-T336 HydrophobicContact CD1-CG2 4.24Å; F267-T336 HydrophobicContact CE1-CG2 3.85Å; F267-I420 HydrophobicContact CB-CD1 4.39Å
268	L	97.6	Very high	97	Very high	44 Å²	44	51.2 Å²	51.2	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-34.4	174.5	-77.9	173.3	0	0	0	112.7	C264 P265 A271 S272 T336 C367 P369	C264-L268 WeakPolarHBondContact O-CB 3.21Å; C264-L268 VanDerWaalsContact O-CG 3.32Å; C264-L268 WeakPolarHBondContact O-CG 3.37Å; C264-L268 PolarHBondContact O-N 2.84Å; P265-L268 PolarHBondContact O-N 3.08Å; L268-A271 PolarHBondContact O-N 3.33Å; L268-S272 WeakPolarHBondContact O-CA 3.46Å; L268-S272 WeakPolarHBondContact O-CB 3.5Å; L268-S272 PolarHBondContact O-N 2.7Å; L268-T336 HydrophobicContact CD2-CG2 3.69Å; L268-C367 HydrophobicContact CD1-CB 4.36Å; L268-C367 HydrophobicContact CD2-CB 3.93Å; L268-C367 HydrophobicContact CG-CB 4.16Å; L268-P369 HydrophobicContact CD1-CB 4.44Å; L268-P369 HydrophobicContact CD2-CB 3.91Å; L268-P369 HydrophobicContact CD2-CG 3.9Å
269	Q	97.5	Very high	97	Very high	146 Å²	146	52 Å²	52	68%	0.682	30%	0.296	S	S	*	.	H	α-helix	trans	-61.9	-42.3	173.4	-171.8	177.6	-1.1	0	0	111.9	P265 Q266 F267 S272	P265-Q269 PolarHBondContact O-N 3.33Å; Q266-Q269 WeakPolarHBondContact O-CB 3.34Å; Q266-Q269 PolarHBondContact O-N 2.89Å; F267-Q269 VanDerWaalsContact C-N 3.27Å; F267-Q269 PolarHBondContact O-N 2.94Å; Q269-S272 WeakPolarHBondContact O-CB 3.35Å; Q269-S272 PolarHBondContact O-OG 2.95Å
270	L	97.3	Very high	96.9	Very high	69 Å²	69	52.1 Å²	52.1	36%	0.361	30%	0.296	S	S	.	.	H	α-helix	trans	-79.6	-23	179.3	-67.2	167.6	0	0	0	114	Q266 F267 I301 I420 R424	Q266-L270 PolarHBondContact O-N 3.43Å; F267-L270 PolarHBondContact O-N 3Å; F267-L270 VanDerWaalsContact O-N 3.09Å; L270-I301 HydrophobicContact CB-CD1 4.07Å; L270-I301 HydrophobicContact CD1-CD1 3.97Å; L270-I420 HydrophobicContact CD1-CB 3.99Å; L270-I420 HydrophobicContact CD1-CD1 4.12Å; L270-I420 HydrophobicContact CD1-CG2 3.53Å; L270-R424 PolarHBondContact O-NH1 2.85Å; L270-R424 PolarHBondContact O-NH2 2.95Å
271	A	97.4	Very high	96.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-84.6	-17.5	172.7	0	0	0	0	0	113.3	F267 L268 A273 N274 T275 T281 T336	F267-A271 WeakPolarHBondContact O-CB 3.44Å; F267-A271 PolarHBondContact O-N 2.99Å; L268-A271 PolarHBondContact O-N 3.33Å; A271-A273 VanDerWaalsContact C-N 3.31Å; A271-A273 PolarHBondContact O-N 3.45Å; A271-N274 WeakPolarHBondContact O-CA 3.48Å; A271-N274 PolarHBondContact O-N 3.26Å; A271-T275 PolarHBondContact O-N 2.96Å; A271-T275 PolarHBondContact O-OG1 2.91Å; A271-T281 HydrophobicContact CB-CG2 4.05Å; A271-T336 HydrophobicContact CB-CG2 3.85Å
272	S	96.8	Very high	97	Very high	65 Å²	65	50.6 Å²	50.6	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-46.8	-42.5	-168.7	60.1	0	0	0	0	115.6	L268 Q269 N274 T275 A276	L268-S272 WeakPolarHBondContact O-CA 3.46Å; L268-S272 WeakPolarHBondContact O-CB 3.5Å; L268-S272 PolarHBondContact O-N 2.7Å; Q269-S272 WeakPolarHBondContact O-CB 3.35Å; Q269-S272 PolarHBondContact O-OG 2.95Å; S272-N274 PolarHBondContact O-N 3.14Å; S272-T275 PolarHBondContact O-N 2.92Å; S272-A276 VanDerWaalsContact O-CB 3.29Å; S272-A276 WeakPolarHBondContact O-CB 3.26Å; S272-A276 PolarHBondContact O-N 3.09Å
273	A	97.2	Very high	97.2	Very high	70 Å²	70	44.6 Å²	44.6	58%	0.579	26%	0.258	S	S	*	.	H	α-helix	trans	-67.1	-31.5	179	0	0	0	0	0	113.8	A271 R277	A271-A273 VanDerWaalsContact C-N 3.31Å; A271-A273 PolarHBondContact O-N 3.45Å; A273-R277 WeakPolarHBondContact O-CD 3.37Å; A273-R277 WeakPolarHBondContact O-CG 3.47Å
274	N	97	Very high	97.1	Very high	35 Å²	35	44.9 Å²	44.9	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-80.4	-44.9	172.8	-77.1	-19.5	0	0	0	110.5	A271 S272 A276 R277 G278 V279 T281	A271-N274 WeakPolarHBondContact O-CA 3.48Å; A271-N274 PolarHBondContact O-N 3.26Å; S272-N274 PolarHBondContact O-N 3.14Å; N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 2.87Å; N274-R277 CarbonylContact O-C 3.56Å; N274-R277 WeakPolarHBondContact O-CA 3.39Å; N274-R277 WeakPolarHBondContact O-CB 3.28Å; N274-R277 PolarHBondContact O-N 2.82Å; N274-R277 PolarHBondContact OD1-NH1 2.93Å; N274-G278 PolarHBondContact O-N 2.94Å; N274-V279 CarbonylContact C-O 3.54Å; N274-V279 HydrophobicContact CB-CB 4.06Å; N274-V279 HydrophobicContact CB-CG1 4.32Å; N274-V279 WeakPolarHBondContact CB-O 3.37Å; N274-V279 PolarHBondContact O-N 3.33Å; N274-V279 VanDerWaalsContact O-O 3.13Å; N274-T281 WeakPolarHBondContact CB-OG1 3.43Å; N274-T281 PolarHBondContact ND2-OG1 3.4Å
275	T	96.2	Very high	97.2	Very high	28 Å²	28	44.3 Å²	44.3	17%	0.172	26%	0.256	C	S	.	.	H	α-helix	trans	-53.4	-44.3	175	-57.9	0	0	0	0	112.1	A271 S272 R277 G278 V279 P338 P369	A271-T275 PolarHBondContact O-N 2.96Å; A271-T275 PolarHBondContact O-OG1 2.91Å; S272-T275 PolarHBondContact O-N 2.92Å; T275-R277 PolarHBondContact O-N 2.86Å; T275-G278 PolarHBondContact O-N 3.31Å; T275-V279 PolarHBondContact N-O 3.12Å; T275-P338 HydrophobicContact CG2-CB 4.12Å; T275-P369 HydrophobicContact CG2-CB 4.39Å; T275-P369 HydrophobicContact CG2-CG 3.52Å
276	A	96.5	Very high	97.2	Very high	93 Å²	93	40.6 Å²	40.6	77%	0.769	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.4	177	0	0	0	0	0	113.9	S272 N274	S272-A276 VanDerWaalsContact O-CB 3.29Å; S272-A276 WeakPolarHBondContact O-CB 3.26Å; S272-A276 PolarHBondContact O-N 3.09Å; N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 2.87Å
277	R	97.1	Very high	97.2	Very high	174 Å²	174	37.3 Å²	37.3	66%	0.657	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	0.4	173.5	-67.4	169.1	57.5	-128.8	-4.4	113	A273 N274 T275 V279	A273-R277 WeakPolarHBondContact O-CD 3.37Å; A273-R277 WeakPolarHBondContact O-CG 3.47Å; N274-R277 CarbonylContact O-C 3.56Å; N274-R277 WeakPolarHBondContact O-CA 3.39Å; N274-R277 WeakPolarHBondContact O-CB 3.28Å; N274-R277 PolarHBondContact O-N 2.82Å; N274-R277 PolarHBondContact OD1-NH1 2.93Å; T275-R277 PolarHBondContact O-N 2.86Å; R277-V279 VanDerWaalsContact C-N 3.26Å; R277-V279 HydrophobicContact CB-CG2 4.01Å; R277-V279 PolarHBondContact O-N 2.87Å
278	G	95.9	Very high	97	Very high	22 Å²	22	41.5 Å²	41.5	23%	0.227	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	20	-171.8	0	0	0	0	0	113.9	N274 T275 S308	N274-G278 PolarHBondContact O-N 2.94Å; T275-G278 PolarHBondContact O-N 3.31Å; G278-S308 WeakPolarHBondContact O-CA 3.5Å
279	V	96.9	Very high	96.7	Very high	23 Å²	23	39.5 Å²	39.5	14%	0.139	22%	0.224	C	C	.	.			trans	-102.2	138.5	179.5	-178.3	0	0	0	0	109.4	N274 T275 R277 A306 G307 P338	N274-V279 CarbonylContact C-O 3.54Å; N274-V279 HydrophobicContact CB-CB 4.06Å; N274-V279 HydrophobicContact CB-CG1 4.32Å; N274-V279 WeakPolarHBondContact CB-O 3.37Å; N274-V279 PolarHBondContact O-N 3.33Å; N274-V279 VanDerWaalsContact O-O 3.13Å; T275-V279 PolarHBondContact N-O 3.12Å; R277-V279 VanDerWaalsContact C-N 3.26Å; R277-V279 HydrophobicContact CB-CG2 4.01Å; R277-V279 PolarHBondContact O-N 2.87Å; V279-A306 HydrophobicContact CG1-CB 4.07Å; V279-G307 CarbonylContact C-O 3.56Å; V279-G307 VanDerWaalsContact CA-O 3.3Å; V279-G307 WeakPolarHBondContact CA-O 3.43Å; V279-G307 WeakPolarHBondContact CG1-O 3.28Å; V279-P338 VanDerWaalsContact O-CG 3.29Å; V279-P338 WeakPolarHBondContact O-CG 3.28Å
280	E	97.3	Very high	96.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	22%	0.219	C	C	.	.			trans	-69.8	173.4	176.7	-57.7	-162.6	152.9	0	0	112.2	G307 D309 Y310 C311 H335 T336 H337 P338	E280-G307 PolarHBondContact N-O 3.04Å; E280-D309 WeakPolarHBondContact OE1-CA 3.49Å; E280-Y310 WeakPolarHBondContact OE2-CA 3.21Å; E280-Y310 PolarHBondContact OE2-N 3.39Å; E280-C311 HydrophobicContact CB-CB 4.43Å; E280-H335 IonicContact OE2-CD2 3.27Å; E280-T336 WeakPolarHBondContact CG-O 3.47Å; E280-H337 IonicContact OE1-CD2 2.74Å; E280-P338 HydrophobicContact CG-CG 4.47Å
281	T	97.9	Very high	95.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.			trans	-156.5	135	170.5	-66.8	0	0	0	0	107	F267 A271 N274 I301 Q304 H335 T336	F267-T281 HydrophobicContact CE2-CG2 4.41Å; F267-T281 HydrophobicContact CZ-CG2 4.17Å; F267-T281 WeakPolarHBondContact CZ-O 3.33Å; A271-T281 HydrophobicContact CB-CG2 4.05Å; N274-T281 WeakPolarHBondContact CB-OG1 3.43Å; N274-T281 PolarHBondContact ND2-OG1 3.4Å; T281-I301 HydrophobicContact CG2-CG2 4.38Å; T281-Q304 VanDerWaalsContact CA-OE1 3.28Å; T281-H335 VanDerWaalsContact O-CA 3.28Å; T281-H335 WeakPolarHBondContact O-CA 3.37Å; T281-T336 PolarHBondContact N-OG1 3.48Å; T281-T336 PolarHBondContact O-N 2.91Å; T281-T336 VanDerWaalsContact O-N 3.14Å; T281-T336 PolarHBondContact O-OG1 2.93Å
282	C	97.3	Very high	95.3	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.8	-177.5	56	0	0	0	0	112.3	Q304 C311 I334 H335	C282-Q304 PolarHBondContact O-NE2 3.14Å; C282-C311 HydrophobicContact CB-CB 3.65Å; C282-C311 WeakPolarHBondContact CB-SG 3.31Å; C282-C311 PolarHBondContact N-SG 2.68Å; C282-C311 WeakPolarHBondContact SG-CB 3.09Å; C282-C311 CovalentContact SG-SG 2.04Å; C282-C311 PolarHBondContact SG-SG 3.29Å; C282-I334 CarbonylContact C-O 3.54Å; C282-I334 WeakPolarHBondContact CA-O 3.4Å; C282-H335 HydrophobicContact CB-CB 3.97Å
283	G	97.5	Very high	95.1	Very high	1 Å²	1	43 Å²	43	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.4	178.2	0	0	0	0	0	111.9	L300 W333 I334	G283-L300 CarbonylContact C-O 3.58Å; G283-L300 VanDerWaalsContact CA-O 3.31Å; G283-L300 WeakPolarHBondContact CA-O 3.1Å; G283-W333 CarbonylContact O-C 3.1Å; G283-W333 WeakPolarHBondContact O-CA 3.16Å; G283-I334 PolarHBondContact N-O 2.89Å; G283-I334 WeakPolarHBondContact O-CG2 3.49Å; G283-I334 PolarHBondContact O-N 2.8Å
284	I	97.6	Very high	95.1	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131	-179.4	-50	-52.9	0	0	0	109.3	V299 L300 T313 L319 T330 Y355	I284-V299 WeakPolarHBondContact O-CA 3.34Å; I284-L300 HydrophobicContact CB-CB 4.5Å; I284-L300 PolarHBondContact N-O 2.95Å; I284-L300 PolarHBondContact O-N 3.41Å; I284-T313 HydrophobicContact CD1-CG2 4.4Å; I284-L319 HydrophobicContact CG1-CD1 3.81Å; I284-L319 HydrophobicContact CG1-CD2 4.12Å; I284-T330 HydrophobicContact CG2-CG2 3.88Å; I284-Y355 WeakPolarHBondContact CD1-OH 3.1Å
285	L	98.1	Very high	95.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.7	176.8	-59.7	174.7	0	0	0	109.1	L263 I296 V299 L331 G332 W333 I334 I363 I365	L263-L285 HydrophobicContact CD1-CD2 3.96Å; L263-L285 HydrophobicContact CD2-CD2 4.27Å; L285-I296 HydrophobicContact CB-CD1 4.2Å; L285-I296 HydrophobicContact CB-CG1 4.45Å; L285-I296 HydrophobicContact CD1-CD1 4.06Å; L285-V299 HydrophobicContact CD2-CG2 4.04Å; L285-L331 PolarHBondContact O-N 2.87Å; L285-G332 PolarHBondContact N-O 3.4Å; L285-W333 WeakPolarHBondContact CD1-O 3.48Å; L285-I334 HydrophobicContact CD2-CB 4.02Å; L285-I334 HydrophobicContact CD2-CG2 3.78Å; L285-I334 HydrophobicContact CG-CB 4.4Å; L285-I334 HydrophobicContact CG-CG2 4.37Å; L285-I363 HydrophobicContact CD1-CD1 4.33Å; L285-I363 HydrophobicContact CD1-CG1 3.93Å; L285-I365 HydrophobicContact CD1-CD1 3.54Å; L285-I365 HydrophobicContact CD1-CG1 3.8Å; L285-I365 HydrophobicContact CD2-CD1 4.2Å
286	C	97.3	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.5	-174.3	-70.7	0	0	0	0	110.9	T297 H298 L328 I329	C286-T297 PolarHBondContact O-N 3.48Å; C286-H298 HydrophobicContact CB-CB 3.9Å; C286-H298 PolarHBondContact N-O 2.84Å; C286-H298 PolarHBondContact O-N 3.3Å; C286-H298 VanDerWaalsContact O-O 3.06Å; C286-L328 HydrophobicContact CB-CB 4.19Å; C286-L328 HydrophobicContact CB-CD1 4.05Å; C286-I329 WeakPolarHBondContact CA-O 3.12Å
287	G	96.2	Very high	95.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-168.7	-171.9	0	0	0	0	0	115	T295 L328 I329	G287-T295 CarbonylContact C-O 3.47Å; G287-T295 WeakPolarHBondContact CA-O 3.48Å; G287-L328 WeakPolarHBondContact O-CA 3.5Å; G287-I329 PolarHBondContact N-O 3.42Å; G287-I329 PolarHBondContact O-N 2.8Å
288	K	94.1	Very high	95.3	Very high	88 Å²	88	28.8 Å²	28.8	38%	0.383	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.7	178.3	-62	-170.7	176.6	-170.9	0	109.8	M290 F294 T295 L328	K288-M290 HydrophobicContact CD-CE 4.4Å; K288-F294 WeakPolarHBondContact O-CA 3.39Å; K288-T295 PolarHBondContact N-O 3.05Å; K288-T295 PolarHBondContact O-N 3.21Å; K288-L328 HydrophobicContact CG-CD2 4.22Å
289	L	92.6	Very high	95.4	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.1	167.7	176	62.9	0	0	0	107.9	M46 I49 Y50 E293 F294 I329	M46-L289 HydrophobicContact CB-CD2 3.95Å; M46-L289 HydrophobicContact CG-CD2 3.68Å; M46-L289 HydrophobicContact SD-CD2 4.09Å; I49-L289 HydrophobicContact CD1-CB 4.44Å; I49-L289 HydrophobicContact CG2-CG 4.46Å; Y50-L289 HydrophobicContact CD2-CD2 4.36Å; Y50-L289 HydrophobicContact CE1-CD2 4.25Å; Y50-L289 HydrophobicContact CE2-CD2 3.75Å; L289-E293 WeakPolarHBondContact CA-O 3.39Å; L289-F294 HydrophobicContact CB-CD1 3.93Å; L289-F294 HydrophobicContact CB-CE1 3.82Å; L289-F294 HydrophobicContact CD1-CD1 3.96Å; L289-F294 HydrophobicContact CD1-CE1 3.85Å; L289-F294 HydrophobicContact CD1-CG 4.41Å; L289-F294 HydrophobicContact CD1-CZ 4.18Å; L289-F294 HydrophobicContact CD2-CE1 4.36Å; L289-F294 HydrophobicContact CG-CE1 4.22Å; L289-I329 HydrophobicContact CB-CD1 4.1Å
290	M	89.8	Confident	95.4	Very high	118 Å²	118	26.6 Å²	26.6	58%	0.581	12%	0.122	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.5	132	172.7	-69	-177.9	169.9	0	0	109.1	E53 K288 N292 E293	E53-M290 WeakPolarHBondContact OE1-CA 3.4Å; K288-M290 HydrophobicContact CD-CE 4.4Å; M290-N292 VanDerWaalsContact C-N 3.26Å; M290-N292 PolarHBondContact O-N 2.96Å; M290-E293 PolarHBondContact N-O 3.35Å; M290-E293 WeakPolarHBondContact O-CA 3.33Å; M290-E293 PolarHBondContact O-N 3.2Å; M290-E293 VanDerWaalsContact O-O 3.09Å
291	R	86.5	Confident	95.4	Very high	187 Å²	187	26.5 Å²	26.5	71%	0.706	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	41.6	177.2	-58	-178	176.5	-168.9	-5.1	114.1	E53 E293	E53-R291 VanDerWaalsContact CD-N 3.26Å; E53-R291 PolarHBondContact OE1-N 2.85Å; E53-R291 WeakPolarHBondContact OE2-CA 3.25Å; E53-R291 PolarHBondContact OE2-N 2.61Å; R291-E293 PolarHBondContact O-N 3.02Å
292	N	86.1	Confident	95.3	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.043	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	9.1	-174.5	-150.6	41.8	0	0	0	116.1	Y50 R255 M290	Y50-N292 HydrophobicContact CE1-CB 4.39Å; Y50-N292 WeakPolarHBondContact CE1-OD1 3.22Å; Y50-N292 PolarHBondContact OH-OD1 2.93Å; R255-N292 WeakPolarHBondContact CB-O 3.17Å; R255-N292 WeakPolarHBondContact CD-OD1 3.41Å; M290-N292 VanDerWaalsContact C-N 3.26Å; M290-N292 PolarHBondContact O-N 2.96Å
293	E	92.9	Very high	95.2	Very high	41 Å²	41	29.5 Å²	29.5	19%	0.192	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.2	175.5	173.9	178.1	-93.2	0	0	111.2	I248 H256 V258 L289 M290 R291	I248-E293 HydrophobicContact CD1-CB 4.08Å; I248-E293 WeakPolarHBondContact CD1-OE1 3.4Å; H256-E293 HydrophobicContact CB-CG 4.4Å; H256-E293 IonicContact CE1-OE1 2.72Å; H256-E293 IonicContact CG-OE1 3.61Å; H256-E293 IonicContact ND1-OE1 3.61Å; H256-E293 PolarHBondContact ND1-OE1 3.46Å; V258-E293 VanDerWaalsContact CG2-CD 3.41Å; V258-E293 HydrophobicContact CG2-CG 3.92Å; V258-E293 WeakPolarHBondContact CG2-OE1 3.47Å; L289-E293 WeakPolarHBondContact CA-O 3.39Å; M290-E293 PolarHBondContact N-O 3.35Å; M290-E293 WeakPolarHBondContact O-CA 3.33Å; M290-E293 PolarHBondContact O-N 3.2Å; M290-E293 VanDerWaalsContact O-O 3.09Å; R291-E293 PolarHBondContact O-N 3.02Å
294	F	96.6	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.4	170.4	-70.1	-66.1	0	0	0	110.8	M46 R255 H256 V257 V258 K288 L289 L331 L359 E361	M46-F294 HydrophobicContact SD-CE1 3.96Å; M46-F294 HydrophobicContact SD-CZ 3.87Å; R255-F294 HydrophobicContact CB-CD2 4.21Å; R255-F294 HydrophobicContact CB-CE2 4.14Å; H256-F294 PolarHBondContact O-N 3.14Å; V257-F294 CarbonylContact C-O 3.51Å; V257-F294 WeakPolarHBondContact CA-O 3.12Å; V257-F294 HydrophobicContact CG2-CB 4.11Å; V257-F294 HydrophobicContact CG2-CD2 4.21Å; V258-F294 PolarHBondContact N-O 3Å; K288-F294 WeakPolarHBondContact O-CA 3.39Å; L289-F294 HydrophobicContact CB-CD1 3.93Å; L289-F294 HydrophobicContact CB-CE1 3.82Å; L289-F294 HydrophobicContact CD1-CD1 3.96Å; L289-F294 HydrophobicContact CD1-CE1 3.85Å; L289-F294 HydrophobicContact CD1-CG 4.41Å; L289-F294 HydrophobicContact CD1-CZ 4.18Å; L289-F294 HydrophobicContact CD2-CE1 4.36Å; L289-F294 HydrophobicContact CG-CE1 4.22Å; F294-L331 HydrophobicContact CB-CD1 3.96Å; F294-L331 HydrophobicContact CB-CD2 4.06Å; F294-L331 HydrophobicContact CD1-CD2 3.39Å; F294-L331 HydrophobicContact CD2-CD2 4.5Å; F294-L331 HydrophobicContact CE1-CD2 3.84Å; F294-L331 HydrophobicContact CG-CD2 3.76Å; F294-L359 HydrophobicContact CE2-CD1 4.03Å; F294-L359 HydrophobicContact CZ-CD1 3.71Å; F294-L359 HydrophobicContact CZ-CD2 4.44Å; F294-E361 HydrophobicContact CD2-CB 4.12Å; F294-E361 HydrophobicContact CD2-CG 4.25Å; F294-E361 HydrophobicContact CE2-CB 3.99Å; F294-E361 HydrophobicContact CE2-CG 3.95Å
295	T	97.1	Very high	94.9	Very high	28 Å²	28	33.5 Å²	33.5	17%	0.172	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.1	168.8	-65.6	0	0	0	0	110.2	V258 G287 K288 T297	V258-T295 HydrophobicContact CB-CG2 4.43Å; V258-T295 HydrophobicContact CG1-CG2 4.37Å; G287-T295 CarbonylContact C-O 3.47Å; G287-T295 WeakPolarHBondContact CA-O 3.48Å; K288-T295 PolarHBondContact N-O 3.05Å; K288-T295 PolarHBondContact O-N 3.21Å; T295-T297 HydrophobicContact CG2-CG2 3.94Å; T295-T297 PolarHBondContact O-N 2.8Å
296	I	98.3	Very high	94.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.4	167.7	-67.4	163.7	0	0	0	108.3	V257 V258 V259 P260 L263 L285 L331 I363 V418	V257-I296 HydrophobicContact CG1-CD1 4.29Å; V258-I296 PolarHBondContact O-N 3.08Å; V259-I296 HydrophobicContact CG2-CD1 4.1Å; P260-I296 WeakPolarHBondContact CD-O 3.41Å; P260-I296 WeakPolarHBondContact CG-O 3.37Å; L263-I296 HydrophobicContact CD1-CG2 3.68Å; L285-I296 HydrophobicContact CB-CD1 4.2Å; L285-I296 HydrophobicContact CB-CG1 4.45Å; L285-I296 HydrophobicContact CD1-CD1 4.06Å; I296-L331 HydrophobicContact CB-CD1 4.45Å; I296-L331 HydrophobicContact CG1-CB 4.05Å; I296-L331 HydrophobicContact CG1-CD1 3.57Å; I296-L331 HydrophobicContact CG1-CG 4.41Å; I296-I363 HydrophobicContact CD1-CD1 4.03Å; I296-V418 HydrophobicContact CG2-CG2 4.5Å
297	T	97.1	Very high	94.5	Very high	38 Å²	38	35.4 Å²	35.4	23%	0.233	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	-22.1	-178.5	53.8	0	0	0	0	113.1	C286 T295 V418 T419	C286-T297 PolarHBondContact O-N 3.48Å; T295-T297 HydrophobicContact CG2-CG2 3.94Å; T295-T297 PolarHBondContact O-N 2.8Å; T297-V418 WeakPolarHBondContact O-CG2 3.3Å; T297-T419 PolarHBondContact O-N 3.44Å
298	H	97.9	Very high	94.1	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.153	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144	-176.3	-67.3	73.2	0	0	0	110.4	C286 L328 T419	C286-H298 HydrophobicContact CB-CB 3.9Å; C286-H298 PolarHBondContact N-O 2.84Å; C286-H298 PolarHBondContact O-N 3.3Å; C286-H298 VanDerWaalsContact O-O 3.06Å; H298-L328 HydrophobicContact CB-CD1 3.91Å; H298-T419 CarbonylContact C-O 3.6Å; H298-T419 VanDerWaalsContact CA-O 3.24Å; H298-T419 WeakPolarHBondContact CA-O 3.38Å; H298-T419 VanDerWaalsContact CD2-CB 3.43Å; H298-T419 WeakPolarHBondContact CD2-CB 3.25Å
299	V	98.1	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.7	160.6	-176.1	0	0	0	0	107.5	L263 F267 I284 L285 I301 I334 V418 T419 I420 T421	L263-V299 HydrophobicContact CD1-CG2 3.78Å; L263-V299 HydrophobicContact CD2-CG2 4Å; L263-V299 HydrophobicContact CG-CG2 3.71Å; F267-V299 HydrophobicContact CD2-CG1 4.29Å; I284-V299 WeakPolarHBondContact O-CA 3.34Å; L285-V299 HydrophobicContact CD2-CG2 4.04Å; V299-I301 HydrophobicContact CG1-CG1 4.4Å; V299-I334 HydrophobicContact CG1-CG2 3.97Å; V299-V418 HydrophobicContact CG2-CG2 4.16Å; V299-T419 PolarHBondContact N-O 2.94Å; V299-I420 HydrophobicContact CB-CG1 4.14Å; V299-I420 HydrophobicContact CB-CG2 4.18Å; V299-I420 HydrophobicContact CG2-CG1 4.44Å; V299-I420 WeakPolarHBondContact O-CA 3.25Å; V299-T421 PolarHBondContact O-N 3.42Å
300	L	97.4	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118	173.6	-53.6	-178.4	0	0	0	108	G283 I284 P302 L319 I322 Q323 T421	G283-L300 CarbonylContact C-O 3.58Å; G283-L300 VanDerWaalsContact CA-O 3.31Å; G283-L300 WeakPolarHBondContact CA-O 3.1Å; I284-L300 HydrophobicContact CB-CB 4.5Å; I284-L300 PolarHBondContact N-O 2.95Å; I284-L300 PolarHBondContact O-N 3.41Å; L300-P302 VanDerWaalsContact O-CD 3.25Å; L300-P302 WeakPolarHBondContact O-CD 3.2Å; L300-L319 HydrophobicContact CB-CD2 3.53Å; L300-L319 HydrophobicContact CD1-CD2 3.85Å; L300-L319 HydrophobicContact CG-CD2 4.35Å; L300-I322 HydrophobicContact CD1-CG2 4.13Å; L300-I322 HydrophobicContact CD2-CG2 4.08Å; L300-Q323 HydrophobicContact CD1-CG 3.74Å; L300-T421 HydrophobicContact CD2-CG2 4.49Å
301	I	97.4	Very high	93.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	101.3	175.9	-51.7	-176.7	0	0	0	107.3	F267 L270 T281 V299 I420 T421 L423 R424	F267-I301 HydrophobicContact CD2-CD1 3.96Å; F267-I301 HydrophobicContact CD2-CG1 4.36Å; F267-I301 HydrophobicContact CE2-CD1 3.96Å; F267-I301 HydrophobicContact CE2-CG1 4.1Å; L270-I301 HydrophobicContact CB-CD1 4.07Å; L270-I301 HydrophobicContact CD1-CD1 3.97Å; T281-I301 HydrophobicContact CG2-CG2 4.38Å; V299-I301 HydrophobicContact CG1-CG1 4.4Å; I301-I420 HydrophobicContact CD1-CG2 3.74Å; I301-I420 HydrophobicContact CG1-CG2 3.9Å; I301-T421 PolarHBondContact N-O 3.06Å; I301-L423 WeakPolarHBondContact O-CA 3.4Å; I301-L423 VanDerWaalsContact O-CB 3.32Å; I301-L423 WeakPolarHBondContact O-CB 3.43Å; I301-L423 PolarHBondContact O-N 3.28Å; I301-R424 HydrophobicContact CG2-CG 3.93Å
302	P	95.9	Very high	93.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.013	18%	0.18	C	C	.	.			trans	-74.6	167.8	-177.1	32.1	-36	0	0	0	112	L300 Q304 T313 L319 R424	L300-P302 VanDerWaalsContact O-CD 3.25Å; L300-P302 WeakPolarHBondContact O-CD 3.2Å; P302-Q304 PolarHBondContact O-N 3.25Å; P302-Q304 PolarHBondContact O-NE2 2.95Å; P302-T313 HydrophobicContact CG-CG2 3.59Å; P302-L319 HydrophobicContact CB-CD1 3.89Å; P302-L319 HydrophobicContact CB-CD2 4.12Å; P302-L319 HydrophobicContact CB-CG 4.1Å; P302-L319 HydrophobicContact CG-CD1 4.26Å; P302-R424 VanDerWaalsContact O-CG 3.31Å; P302-R424 WeakPolarHBondContact O-CG 3.27Å
303	K	95.4	Very high	93.7	Very high	64 Å²	64	34 Å²	34	28%	0.278	19%	0.192	S	C	.	.			trans	-51	135.5	156.1	-59.2	178.3	177.7	58.2	0	108.4	E314 N315 E318 L423	K303-E314 HydrophobicContact CB-CB 4.12Å; K303-E314 WeakPolarHBondContact O-CB 3.19Å; K303-E314 PolarHBondContact O-N 3.45Å; K303-N315 HydrophobicContact CD-CB 4.46Å; K303-E318 VanDerWaalsContact NZ-CD 3.28Å; K303-E318 IonicContact NZ-OE1 2.73Å; K303-E318 PolarHBondContact NZ-OE1 3.41Å; K303-E318 IonicContact NZ-OE2 2.73Å; K303-E318 PolarHBondContact NZ-OE2 2.89Å; K303-L423 WeakPolarHBondContact CE-O 3.35Å; K303-L423 WeakPolarHBondContact CG-O 3.4Å; K303-L423 PolarHBondContact NZ-O 3.18Å
304	Q	95.5	Very high	93.2	Very high	33 Å²	33	36.3 Å²	36.3	15%	0.154	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	140.1	-168.8	60	-167.1	-107.8	0	0	113.1	T281 C282 P302 C311 N312	T281-Q304 VanDerWaalsContact CA-OE1 3.28Å; C282-Q304 PolarHBondContact O-NE2 3.14Å; P302-Q304 PolarHBondContact O-N 3.25Å; P302-Q304 PolarHBondContact O-NE2 2.95Å; Q304-C311 PolarHBondContact OE1-SG 2.67Å; Q304-N312 CarbonylContact C-O 3.55Å; Q304-N312 WeakPolarHBondContact CA-O 2.81Å; Q304-N312 WeakPolarHBondContact CB-O 3.18Å
305	S	93.6	Very high	92.6	Very high	59 Å²	59	40.2 Å²	40.2	41%	0.413	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.5	170.4	-81.8	0	0	0	0	109.5	Y310 N312 E314	S305-Y310 WeakPolarHBondContact O-CE2 3.45Å; S305-N312 PolarHBondContact N-O 2.9Å; S305-N312 PolarHBondContact O-N 3.42Å; S305-E314 VanDerWaalsContact CB-OE1 3.25Å; S305-E314 WeakPolarHBondContact CB-OE1 3.41Å; S305-E314 PolarHBondContact OG-OE1 3.32Å
306	A	93.4	Very high	91.8	Very high	29 Å²	29	42.3 Å²	42.3	24%	0.24	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.7	-175	0	0	0	0	0	113.1	V279 Y310 C311	V279-A306 HydrophobicContact CG1-CB 4.07Å; A306-Y310 CarbonylContact C-O 3.59Å; A306-Y310 VanDerWaalsContact CA-O 3.29Å; A306-Y310 WeakPolarHBondContact CA-O 3.32Å; A306-C311 HydrophobicContact CB-CB 4.15Å
307	G	92.2	Very high	91	Very high	12 Å²	12	46.6 Å²	46.6	12%	0.124	25%	0.251	C	S	.	.			trans	-113.5	-149.2	173.4	0	0	0	0	0	111.8	V279 E280 Y310	V279-G307 CarbonylContact C-O 3.56Å; V279-G307 VanDerWaalsContact CA-O 3.3Å; V279-G307 WeakPolarHBondContact CA-O 3.43Å; V279-G307 WeakPolarHBondContact CG1-O 3.28Å; E280-G307 PolarHBondContact N-O 3.04Å; G307-Y310 PolarHBondContact N-O 2.82Å
308	S	89.1	Confident	90.6	Very high	68 Å²	68	47.5 Å²	47.5	48%	0.476	25%	0.253	S	S	.	.	S	Bend	trans	-84.4	-13.9	177.2	37.2	0	0	0	0	114.9	G278	G278-S308 WeakPolarHBondContact O-CA 3.5Å
309	D	85.4	Confident	90.1	Very high	57 Å²	57	46.5 Å²	46.5	31%	0.305	25%	0.249	S	C	.	.	S	Bend	trans	-158.9	13.2	-158.8	54.3	-36.4	0	0	0	111.6	E280 F395	E280-D309 WeakPolarHBondContact OE1-CA 3.49Å; D309-F395 HydrophobicContact CB-CE1 4.49Å; D309-F395 HydrophobicContact CB-CZ 4.29Å; D309-F395 VanDerWaalsContact O-CZ 3.3Å; D309-F395 WeakPolarHBondContact O-CZ 3.06Å; D309-F395 WeakPolarHBondContact OD2-CZ 3.34Å
310	Y	88.2	Confident	89.6	Confident	89 Å²	89	48.4 Å²	48.4	35%	0.349	26%	0.257	S	S	.	.			trans	-155.3	151.3	172.8	70.4	-94.2	0	0	0	111.7	E280 S305 A306 G307 N312	E280-Y310 WeakPolarHBondContact OE2-CA 3.21Å; E280-Y310 PolarHBondContact OE2-N 3.39Å; S305-Y310 WeakPolarHBondContact O-CE2 3.45Å; A306-Y310 CarbonylContact C-O 3.59Å; A306-Y310 VanDerWaalsContact CA-O 3.29Å; A306-Y310 WeakPolarHBondContact CA-O 3.32Å; G307-Y310 PolarHBondContact N-O 2.82Å; Y310-N312 VanDerWaalsContact CD2-ND2 3.3Å; Y310-N312 WeakPolarHBondContact CD2-ND2 3.26Å
311	C	89.3	Confident	89.1	Confident	22 Å²	22	53.1 Å²	53.1	15%	0.149	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	110.7	168.6	-170.8	0	0	0	0	110.7	E280 C282 Q304 A306	E280-C311 HydrophobicContact CB-CB 4.43Å; C282-C311 HydrophobicContact CB-CB 3.65Å; C282-C311 WeakPolarHBondContact CB-SG 3.31Å; C282-C311 PolarHBondContact N-SG 2.68Å; C282-C311 WeakPolarHBondContact SG-CB 3.09Å; C282-C311 CovalentContact SG-SG 2.04Å; C282-C311 PolarHBondContact SG-SG 3.29Å; Q304-C311 PolarHBondContact OE1-SG 2.67Å; A306-C311 HydrophobicContact CB-CB 4.15Å
312	N	87.6	Confident	88.7	Confident	91 Å²	91	54.6 Å²	54.6	49%	0.487	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.9	177.6	-65.8	-66.9	0	0	0	110.2	Q304 S305 Y310	Q304-N312 CarbonylContact C-O 3.55Å; Q304-N312 WeakPolarHBondContact CA-O 2.81Å; Q304-N312 WeakPolarHBondContact CB-O 3.18Å; S305-N312 PolarHBondContact N-O 2.9Å; S305-N312 PolarHBondContact O-N 3.42Å; Y310-N312 VanDerWaalsContact CD2-ND2 3.3Å; Y310-N312 WeakPolarHBondContact CD2-ND2 3.26Å
313	T	88.3	Confident	88.5	Confident	48 Å²	48	55.3 Å²	55.3	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.1	176.6	54.5	0	0	0	0	111.5	I284 P302	I284-T313 HydrophobicContact CD1-CG2 4.4Å; P302-T313 HydrophobicContact CG-CG2 3.59Å
314	E	84.3	Confident	88.1	Confident	88 Å²	88	55.6 Å²	55.6	41%	0.411	30%	0.297	S	S	.	.			trans	-114.5	162.3	178.3	-61.8	-179.6	-163.6	0	0	110.7	K303 S305 E316	K303-E314 HydrophobicContact CB-CB 4.12Å; K303-E314 WeakPolarHBondContact O-CB 3.19Å; K303-E314 PolarHBondContact O-N 3.45Å; S305-E314 VanDerWaalsContact CB-OE1 3.25Å; S305-E314 WeakPolarHBondContact CB-OE1 3.41Å; S305-E314 PolarHBondContact OG-OE1 3.32Å; E314-E316 PolarHBondContact O-N 2.88Å
315	N	83.8	Confident	87.8	Confident	82 Å²	82	61.6 Å²	61.6	44%	0.439	33%	0.325	S	S	.	.			trans	51.8	47.6	177	-155.7	27.5	0	0	0	115.6	K303 E317 E318	K303-N315 HydrophobicContact CD-CB 4.46Å; N315-E317 PolarHBondContact O-N 2.76Å; N315-E318 WeakPolarHBondContact ND2-CB 3.32Å; N315-E318 PolarHBondContact ND2-OE2 3.27Å; N315-E318 WeakPolarHBondContact O-CB 3.48Å; N315-E318 PolarHBondContact O-N 3.06Å
316	E	79	Confident	87.7	Confident	72 Å²	72	62.9 Å²	62.9	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-51.4	-18.5	179.4	-62	-179.2	144.2	0	0	115	R35 R38 E314 F320	R35-E316 IonicContact NH2-OE1 3.2Å; R35-E316 PolarHBondContact NH2-OE1 2.93Å; R38-E316 IonicContact CZ-OE2 2.84Å; R38-E316 IonicContact NH1-OE2 2.74Å; R38-E316 PolarHBondContact NH1-OE2 3.37Å; R38-E316 IonicContact NH2-OE2 3.08Å; E314-E316 PolarHBondContact O-N 2.88Å; E316-F320 PolarHBondContact O-N 2.79Å
317	E	82.4	Confident	87.5	Confident	91 Å²	91	62.9 Å²	62.9	43%	0.425	33%	0.327	S	S	.	.	H	α-helix	trans	-71	-35.3	177.1	-57.8	-167.8	168.7	0	0	112.7	R34 N315 F320 L321	R34-E317 IonicContact CZ-OE1 3.79Å; R34-E317 IonicContact NH1-OE1 3.87Å; R34-E317 PolarHBondContact NH1-OE1 3.2Å; R34-E317 IonicContact NH2-OE1 2.75Å; R34-E317 PolarHBondContact NH2-OE1 3.22Å; N315-E317 PolarHBondContact O-N 2.76Å; E317-F320 PolarHBondContact O-N 2.76Å; E317-L321 VanDerWaalsContact O-CG 3.28Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.24Å
318	E	87.9	Confident	87.6	Confident	57 Å²	57	62.3 Å²	62.3	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-68.8	-42	177.8	-176.3	174.8	-156.9	0	0	111.1	K303 N315 L321 I322	K303-E318 VanDerWaalsContact NZ-CD 3.28Å; K303-E318 IonicContact NZ-OE1 2.73Å; K303-E318 PolarHBondContact NZ-OE1 3.41Å; K303-E318 IonicContact NZ-OE2 2.73Å; K303-E318 PolarHBondContact NZ-OE2 2.89Å; N315-E318 WeakPolarHBondContact ND2-CB 3.32Å; N315-E318 PolarHBondContact ND2-OE2 3.27Å; N315-E318 WeakPolarHBondContact O-CB 3.48Å; N315-E318 PolarHBondContact O-N 3.06Å; E318-L321 PolarHBondContact O-N 3.25Å; E318-I322 HydrophobicContact CG-CD1 4.34Å; E318-I322 WeakPolarHBondContact O-CD1 3.45Å; E318-I322 WeakPolarHBondContact O-CG1 3.29Å; E318-I322 PolarHBondContact O-N 3.36Å; E318-I322 VanDerWaalsContact O-N 3.14Å
319	L	88.1	Confident	87.8	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-55.8	-54.2	170.2	-74.7	172.2	0	0	0	111.3	I284 L300 P302 L321 I322 Q323 L423	I284-L319 HydrophobicContact CG1-CD1 3.81Å; I284-L319 HydrophobicContact CG1-CD2 4.12Å; L300-L319 HydrophobicContact CB-CD2 3.53Å; L300-L319 HydrophobicContact CD1-CD2 3.85Å; L300-L319 HydrophobicContact CG-CD2 4.35Å; P302-L319 HydrophobicContact CB-CD1 3.89Å; P302-L319 HydrophobicContact CB-CD2 4.12Å; P302-L319 HydrophobicContact CB-CG 4.1Å; P302-L319 HydrophobicContact CG-CD1 4.26Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 2.88Å; L319-I322 PolarHBondContact O-N 2.98Å; L319-Q323 WeakPolarHBondContact O-CG 3.26Å; L319-Q323 PolarHBondContact O-N 3.43Å; L319-Q323 PolarHBondContact O-OE1 3.35Å; L319-L423 HydrophobicContact CD2-CD1 4.15Å
320	F	86.4	Confident	88.3	Confident	41 Å²	41	57.6 Å²	57.6	18%	0.18	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-40.9	-177.6	176.2	-98.6	0	0	0	112.6	R38 V41 E316 E317 Q323 D324	R38-F320 HydrophobicContact CB-CD2 3.82Å; R38-F320 HydrophobicContact CB-CE2 3.78Å; R38-F320 HydrophobicContact CG-CD2 3.77Å; R38-F320 HydrophobicContact CG-CE2 3.88Å; R38-F320 HydrophobicContact CG-CG 4.25Å; R38-F320 HydrophobicContact CG-CZ 4.45Å; V41-F320 HydrophobicContact CB-CE2 4.33Å; V41-F320 HydrophobicContact CB-CZ 4.48Å; V41-F320 HydrophobicContact CG2-CE2 4.23Å; V41-F320 HydrophobicContact CG2-CZ 4Å; E316-F320 PolarHBondContact O-N 2.79Å; E317-F320 PolarHBondContact O-N 2.76Å; F320-Q323 PolarHBondContact O-N 3.28Å; F320-D324 PolarHBondContact O-N 3.12Å
321	L	87.3	Confident	88.7	Confident	98 Å²	98	53.5 Å²	53.5	51%	0.513	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-43.8	176.7	-74.9	168.6	0	0	0	112.4	E317 E318 L319 Q325	E317-L321 VanDerWaalsContact O-CG 3.28Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.24Å; E318-L321 PolarHBondContact O-N 3.25Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 2.88Å; L321-Q325 WeakPolarHBondContact O-CB 3.29Å; L321-Q325 WeakPolarHBondContact O-CG 3.4Å; L321-Q325 PolarHBondContact O-N 3.15Å; L321-Q325 VanDerWaalsContact O-N 3.08Å
322	I	90.2	Very high	89.1	Confident	31 Å²	31	52.4 Å²	52.4	16%	0.159	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-43.3	177	-67.3	164.1	0	0	0	110.4	L300 E318 L319 Q326 L423	L300-I322 HydrophobicContact CD1-CG2 4.13Å; L300-I322 HydrophobicContact CD2-CG2 4.08Å; E318-I322 HydrophobicContact CG-CD1 4.34Å; E318-I322 WeakPolarHBondContact O-CD1 3.45Å; E318-I322 WeakPolarHBondContact O-CG1 3.29Å; E318-I322 PolarHBondContact O-N 3.36Å; E318-I322 VanDerWaalsContact O-N 3.14Å; L319-I322 PolarHBondContact O-N 2.98Å; I322-Q326 WeakPolarHBondContact O-CB 3.2Å; I322-Q326 WeakPolarHBondContact O-CG 3.49Å; I322-Q326 PolarHBondContact O-N 2.9Å; I322-Q326 VanDerWaalsContact O-N 3.14Å; I322-L423 HydrophobicContact CD1-CD1 3.63Å; I322-L423 HydrophobicContact CD1-CD2 3.74Å; I322-L423 HydrophobicContact CD1-CG 4.34Å
323	Q	92	Very high	89.6	Confident	17 Å²	17	48.7 Å²	48.7	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-44	178.4	-71.3	176.3	-92.9	0	0	112.4	L300 L319 F320 Q326 G327 L328 T330	L300-Q323 HydrophobicContact CD1-CG 3.74Å; L319-Q323 WeakPolarHBondContact O-CG 3.26Å; L319-Q323 PolarHBondContact O-N 3.43Å; L319-Q323 PolarHBondContact O-OE1 3.35Å; F320-Q323 PolarHBondContact O-N 3.28Å; Q323-Q326 PolarHBondContact O-N 3.29Å; Q323-G327 CarbonylContact O-C 3.38Å; Q323-G327 PolarHBondContact O-N 3.07Å; Q323-L328 HydrophobicContact CB-CB 4.44Å; Q323-L328 PolarHBondContact O-N 2.98Å; Q323-T330 PolarHBondContact NE2-OG1 3.46Å
324	D	87	Confident	90.1	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	23%	0.234	S	C	.	.	H	α-helix	trans	-70	-42.8	-180	-161.1	46.5	0	0	0	112.3	V41 R45 F320 Q326 G327	V41-D324 WeakPolarHBondContact CG1-OD1 3.47Å; R45-D324 IonicContact CZ-OD1 3.52Å; R45-D324 IonicContact NH2-OD1 3.35Å; R45-D324 PolarHBondContact NH2-OD1 2.97Å; F320-D324 PolarHBondContact O-N 3.12Å; D324-Q326 PolarHBondContact O-N 2.98Å; D324-G327 PolarHBondContact O-N 2.64Å; D324-G327 VanDerWaalsContact O-N 3.14Å
325	Q	88.9	Confident	90.7	Very high	159 Å²	159	42.2 Å²	42.2	74%	0.743	21%	0.214	S	C	*	.	H	α-helix	trans	-59.5	-32.2	175.8	-72.6	172.6	28	0	0	113.4	L321	L321-Q325 WeakPolarHBondContact O-CB 3.29Å; L321-Q325 WeakPolarHBondContact O-CG 3.4Å; L321-Q325 PolarHBondContact O-N 3.15Å; L321-Q325 VanDerWaalsContact O-N 3.08Å
326	Q	90.4	Very high	91.4	Very high	86 Å²	86	38.3 Å²	38.3	40%	0.402	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-0.4	-180	-63.2	-176.7	-6.7	0	0	113.6	I322 Q323 D324 L328	I322-Q326 WeakPolarHBondContact O-CB 3.2Å; I322-Q326 WeakPolarHBondContact O-CG 3.49Å; I322-Q326 PolarHBondContact O-N 2.9Å; I322-Q326 VanDerWaalsContact O-N 3.14Å; Q323-Q326 PolarHBondContact O-N 3.29Å; D324-Q326 PolarHBondContact O-N 2.98Å; Q326-L328 VanDerWaalsContact C-N 3.27Å; Q326-L328 HydrophobicContact CB-CD1 3.81Å; Q326-L328 HydrophobicContact CB-CG 3.8Å; Q326-L328 PolarHBondContact O-N 3.26Å; Q326-L328 VanDerWaalsContact OE1-CD1 3.31Å
327	G	89.4	Confident	92.3	Very high	29 Å²	29	34.9 Å²	34.9	30%	0.299	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	23.1	-177.8	0	0	0	0	0	114.6	R45 Q323 D324	R45-G327 WeakPolarHBondContact CD-O 3.32Å; Q323-G327 CarbonylContact O-C 3.38Å; Q323-G327 PolarHBondContact O-N 3.07Å; D324-G327 PolarHBondContact O-N 2.64Å; D324-G327 VanDerWaalsContact O-N 3.14Å
328	L	94.4	Very high	92.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-85.9	140.9	-173.2	-62.8	172.6	0	0	0	112.6	R45 C286 G287 K288 H298 Q323 Q326	R45-L328 VanDerWaalsContact NH1-C 3.34Å; R45-L328 PolarHBondContact NH1-O 2.89Å; C286-L328 HydrophobicContact CB-CB 4.19Å; C286-L328 HydrophobicContact CB-CD1 4.05Å; G287-L328 WeakPolarHBondContact O-CA 3.5Å; K288-L328 HydrophobicContact CG-CD2 4.22Å; H298-L328 HydrophobicContact CB-CD1 3.91Å; Q323-L328 HydrophobicContact CB-CB 4.44Å; Q323-L328 PolarHBondContact O-N 2.98Å; Q326-L328 VanDerWaalsContact C-N 3.27Å; Q326-L328 HydrophobicContact CB-CD1 3.81Å; Q326-L328 HydrophobicContact CB-CG 3.8Å; Q326-L328 PolarHBondContact O-N 3.26Å; Q326-L328 VanDerWaalsContact OE1-CD1 3.31Å
329	I	93.5	Very high	93.2	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.6	174.6	-61.9	158.7	0	0	0	108.7	E42 M46 C286 G287 L289 L331	E42-I329 HydrophobicContact CB-CG2 4.3Å; M46-I329 HydrophobicContact CG-CD1 3.55Å; M46-I329 HydrophobicContact SD-CD1 4.34Å; C286-I329 WeakPolarHBondContact CA-O 3.12Å; G287-I329 PolarHBondContact N-O 3.42Å; G287-I329 PolarHBondContact O-N 2.8Å; L289-I329 HydrophobicContact CB-CD1 4.1Å; I329-L331 HydrophobicContact CG2-CD2 4.11Å; I329-L331 PolarHBondContact O-N 3.06Å
330	T	95.4	Very high	93.5	Very high	24 Å²	24	34.4 Å²	34.4	15%	0.147	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	116.9	171.5	-48	0	0	0	0	109.5	E42 I284 Q323 Y355 L359	E42-T330 WeakPolarHBondContact OE1-CB 3.19Å; E42-T330 PolarHBondContact OE1-N 2.93Å; E42-T330 PolarHBondContact OE1-OG1 3.37Å; I284-T330 HydrophobicContact CG2-CG2 3.88Å; Q323-T330 PolarHBondContact NE2-OG1 3.46Å; T330-Y355 HydrophobicContact CG2-CD1 3.85Å; T330-Y355 HydrophobicContact CG2-CE1 3.71Å; T330-L359 VanDerWaalsContact O-CD2 3.25Å; T330-L359 WeakPolarHBondContact O-CD2 3.47Å
331	L	97.1	Very high	94	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-3.3	177	-57.6	-176.9	0	0	0	112.4	L285 F294 I296 I329 L359 S362 I363	L285-L331 PolarHBondContact O-N 2.87Å; F294-L331 HydrophobicContact CB-CD1 3.96Å; F294-L331 HydrophobicContact CB-CD2 4.06Å; F294-L331 HydrophobicContact CD1-CD2 3.39Å; F294-L331 HydrophobicContact CD2-CD2 4.5Å; F294-L331 HydrophobicContact CE1-CD2 3.84Å; F294-L331 HydrophobicContact CG-CD2 3.76Å; I296-L331 HydrophobicContact CB-CD1 4.45Å; I296-L331 HydrophobicContact CG1-CB 4.05Å; I296-L331 HydrophobicContact CG1-CD1 3.57Å; I296-L331 HydrophobicContact CG1-CG 4.41Å; I329-L331 HydrophobicContact CG2-CD2 4.11Å; I329-L331 PolarHBondContact O-N 3.06Å; L331-L359 HydrophobicContact CD2-CD2 3.88Å; L331-S362 VanDerWaalsContact O-CA 3.25Å; L331-S362 WeakPolarHBondContact O-CA 3.05Å; L331-S362 PolarHBondContact O-OG 3.34Å; L331-S362 VanDerWaalsContact O-OG 3.07Å; L331-I363 PolarHBondContact O-N 3.37Å; L331-I363 VanDerWaalsContact O-N 3.11Å
332	G	97.4	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.1	-145.3	176.2	0	0	0	0	0	111.7	L285 S362 I363	L285-G332 PolarHBondContact N-O 3.4Å; G332-S362 WeakPolarHBondContact CA-OG 3.4Å; G332-S362 PolarHBondContact N-OG 3.05Å; G332-I363 WeakPolarHBondContact CA-O 3.41Å
333	W	98.2	Very high	94.8	Very high	13 Å²	13	32.8 Å²	32.8	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.4	-173.2	66.2	-65.8	0	0	0	111.8	G283 L285 H335 D348 T351 H352 Y355 I363 A364 I365	G283-W333 CarbonylContact O-C 3.1Å; G283-W333 WeakPolarHBondContact O-CA 3.16Å; L285-W333 WeakPolarHBondContact CD1-O 3.48Å; W333-H335 HydrophobicContact CE3-CB 4.31Å; W333-H335 AromaticContact CH2-CE1 3.69Å; W333-H335 AromaticContact CH2-ND1 3.73Å; W333-H335 HydrophobicContact CZ3-CB 3.91Å; W333-H335 AromaticContact CZ3-CE1 3.89Å; W333-H335 AromaticContact CZ3-CG 3.65Å; W333-H335 AromaticContact CZ3-ND1 3.47Å; W333-H335 WeakPolarHBondContact CZ3-ND1 3.43Å; W333-D348 HydrophobicContact CH2-CB 3.75Å; W333-D348 HydrophobicContact CZ2-CB 3.89Å; W333-T351 HydrophobicContact CD2-CG2 4.28Å; W333-T351 HydrophobicContact CH2-CG2 4.15Å; W333-T351 HydrophobicContact CZ2-CG2 3.87Å; W333-T351 HydrophobicContact CZ3-CG2 4.47Å; W333-H352 HydrophobicContact CZ2-CB 4.3Å; W333-H352 AromaticContact NE1-CG 3.74Å; W333-H352 AromaticContact NE1-ND1 3.59Å; W333-Y355 AromaticContact CD1-CD2 3.97Å; W333-Y355 HydrophobicContact CG-CE2 4.28Å; W333-I363 PolarHBondContact N-O 3.38Å; W333-I363 VanDerWaalsContact N-O 3.12Å; W333-A364 HydrophobicContact CZ2-CB 4.26Å; W333-A364 WeakPolarHBondContact O-CA 3.38Å; W333-I365 PolarHBondContact O-N 3.01Å
334	I	98.5	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.4	178.5	-179.8	168.2	0	0	0	109.6	L263 F267 C282 G283 L285 V299 I365	L263-I334 HydrophobicContact CD2-CD1 3.32Å; F267-I334 HydrophobicContact CB-CD1 4.14Å; F267-I334 HydrophobicContact CD1-CD1 3.56Å; F267-I334 HydrophobicContact CD1-CG1 3.73Å; F267-I334 HydrophobicContact CD1-CG2 4.46Å; F267-I334 HydrophobicContact CD2-CG2 4.24Å; F267-I334 HydrophobicContact CE1-CB 4.49Å; F267-I334 HydrophobicContact CE1-CD1 4.08Å; F267-I334 HydrophobicContact CE1-CG1 3.7Å; F267-I334 HydrophobicContact CE1-CG2 4.24Å; F267-I334 HydrophobicContact CE2-CG2 4.02Å; F267-I334 HydrophobicContact CG-CD1 3.88Å; F267-I334 HydrophobicContact CG-CG1 4.36Å; F267-I334 HydrophobicContact CG-CG2 4.45Å; F267-I334 HydrophobicContact CZ-CG1 4.32Å; F267-I334 HydrophobicContact CZ-CG2 4.02Å; C282-I334 CarbonylContact C-O 3.54Å; C282-I334 WeakPolarHBondContact CA-O 3.4Å; G283-I334 PolarHBondContact N-O 2.89Å; G283-I334 WeakPolarHBondContact O-CG2 3.49Å; G283-I334 PolarHBondContact O-N 2.8Å; L285-I334 HydrophobicContact CD2-CB 4.02Å; L285-I334 HydrophobicContact CD2-CG2 3.78Å; L285-I334 HydrophobicContact CG-CB 4.4Å; L285-I334 HydrophobicContact CG-CG2 4.37Å; V299-I334 HydrophobicContact CG1-CG2 3.97Å; I334-I365 CarbonylContact C-O 3.56Å; I334-I365 VanDerWaalsContact CA-O 3.26Å; I334-I365 WeakPolarHBondContact CA-O 3.24Å; I334-I365 HydrophobicContact CB-CB 3.99Å; I334-I365 HydrophobicContact CD1-CB 4.15Å; I334-I365 HydrophobicContact CD1-CG2 3.8Å; I334-I365 HydrophobicContact CG1-CB 3.87Å; I334-I365 HydrophobicContact CG1-CG2 3.93Å
335	H	98.1	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	175	167.7	75.4	-56.6	0	0	0	113.2	E280 T281 C282 W333 H337 D348 I365 C367	E280-H335 IonicContact OE2-CD2 3.27Å; T281-H335 VanDerWaalsContact O-CA 3.28Å; T281-H335 WeakPolarHBondContact O-CA 3.37Å; C282-H335 HydrophobicContact CB-CB 3.97Å; W333-H335 HydrophobicContact CE3-CB 4.31Å; W333-H335 AromaticContact CH2-CE1 3.69Å; W333-H335 AromaticContact CH2-ND1 3.73Å; W333-H335 HydrophobicContact CZ3-CB 3.91Å; W333-H335 AromaticContact CZ3-CE1 3.89Å; W333-H335 AromaticContact CZ3-CG 3.65Å; W333-H335 AromaticContact CZ3-ND1 3.47Å; W333-H335 WeakPolarHBondContact CZ3-ND1 3.43Å; H335-H337 AromaticContact CD2-CD2 3.8Å; H335-H337 AromaticContact CD2-NE2 3.98Å; H335-H337 AromaticContact CE1-NE2 3.9Å; H335-H337 AromaticContact NE2-CD2 3.43Å; H335-H337 PolarHBondContact NE2-CD2 3.16Å; H335-H337 AromaticContact NE2-NE2 3.15Å; H335-H337 PolarHBondContact NE2-NE2 2.94Å; H335-H337 VanDerWaalsContact NE2-NE2 3.15Å; H335-D348 IonicContact CE1-OD1 3.15Å; H335-D348 IonicContact CE1-OD2 2.73Å; H335-D348 IonicContact NE2-OD1 2.68Å; H335-D348 PolarHBondContact NE2-OD1 3.46Å; H335-D348 IonicContact NE2-OD2 2.68Å; H335-D348 PolarHBondContact NE2-OD2 3.41Å; H335-I365 PolarHBondContact N-O 3.41Å; H335-C367 PolarHBondContact O-N 3.12Å
336	T	98.1	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.6	176.6	46.6	0	0	0	0	110.1	F267 L268 A271 E280 T281 P338 C367	F267-T336 HydrophobicContact CD1-CG2 4.24Å; F267-T336 HydrophobicContact CE1-CG2 3.85Å; L268-T336 HydrophobicContact CD2-CG2 3.69Å; A271-T336 HydrophobicContact CB-CG2 3.85Å; E280-T336 WeakPolarHBondContact CG-O 3.47Å; T281-T336 PolarHBondContact N-OG1 3.48Å; T281-T336 PolarHBondContact O-N 2.91Å; T281-T336 VanDerWaalsContact O-N 3.14Å; T281-T336 PolarHBondContact O-OG1 2.93Å; T336-P338 WeakPolarHBondContact O-CD 3.16Å; T336-C367 WeakPolarHBondContact CA-O 3.19Å; T336-C367 HydrophobicContact CG2-CB 4.22Å
337	H	97.5	Very high	95.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.126	C	C	.	.			trans	-104.9	93.5	163.8	-82.4	-172.2	0	0	0	108.2	E280 H335 T339 Q340 T341 F343 D348 V366 C367	E280-H337 IonicContact OE1-CD2 2.74Å; H335-H337 AromaticContact CD2-CD2 3.8Å; H335-H337 AromaticContact CD2-NE2 3.98Å; H335-H337 AromaticContact CE1-NE2 3.9Å; H335-H337 AromaticContact NE2-CD2 3.43Å; H335-H337 PolarHBondContact NE2-CD2 3.16Å; H335-H337 AromaticContact NE2-NE2 3.15Å; H335-H337 PolarHBondContact NE2-NE2 2.94Å; H335-H337 VanDerWaalsContact NE2-NE2 3.15Å; H337-T339 VanDerWaalsContact C-N 3.28Å; H337-T339 PolarHBondContact O-N 3.46Å; H337-Q340 HydrophobicContact CB-CB 4.25Å; H337-T341 PolarHBondContact ND1-O 3.04Å; H337-F343 AromaticContact CE1-CD1 4Å; H337-F343 AromaticContact CE1-CE1 3.9Å; H337-F343 PolarHBondContact CE1-O 3.47Å; H337-F343 AromaticContact ND1-CE1 3.89Å; H337-D348 IonicContact NE2-OD2 3.88Å; H337-V366 HydrophobicContact CB-CG1 4.35Å; H337-C367 PolarHBondContact N-O 3.25Å
338	P	95.8	Very high	95.7	Very high	9 Å²	9	19.7 Å²	19.7	6%	0.058	11%	0.113	C	C	.	.	S	Bend	trans	-62.3	-31.8	-168.8	-26.1	35.7	0	0	0	114.6	T275 V279 E280 T336	T275-P338 HydrophobicContact CG2-CB 4.12Å; V279-P338 VanDerWaalsContact O-CG 3.29Å; V279-P338 WeakPolarHBondContact O-CG 3.28Å; E280-P338 HydrophobicContact CG-CG 4.47Å; T336-P338 WeakPolarHBondContact O-CD 3.16Å
339	T	94.1	Very high	95.7	Very high	71 Å²	71	20.2 Å²	20.2	44%	0.436	12%	0.115	S	C	.	.	S	Bend	trans	-125.9	-7	-170.2	57.6	0	0	0	0	114.5	H337 K370	H337-T339 VanDerWaalsContact C-N 3.28Å; H337-T339 PolarHBondContact O-N 3.46Å; T339-K370 WeakPolarHBondContact O-CD 3.44Å; T339-K370 PolarHBondContact O-NZ 3.27Å
340	Q	94.7	Very high	95.7	Very high	70 Å²	70	22.8 Å²	22.8	33%	0.327	13%	0.127	S	C	.	.	S	Bend	trans	-115.9	163.4	-172.5	-45.8	-169.9	72.6	0	0	111	H337 F343 S368	H337-Q340 HydrophobicContact CB-CB 4.25Å; Q340-F343 HydrophobicContact CB-CE1 4.05Å; Q340-S368 WeakPolarHBondContact O-CB 3.46Å; Q340-S368 PolarHBondContact O-OG 3.17Å
341	T	96.7	Very high	95.5	Very high	55 Å²	55	23.9 Å²	23.9	34%	0.337	13%	0.134	S	C	.	.			trans	-69.6	170.9	173	47.7	0	0	0	0	111.9	H337 F343 F371 E373	H337-T341 PolarHBondContact ND1-O 3.04Å; T341-F343 VanDerWaalsContact O-CD1 3.24Å; T341-F343 WeakPolarHBondContact O-CD1 3.31Å; T341-F343 PolarHBondContact O-N 3.37Å; T341-F371 HydrophobicContact CG2-CB 4.49Å; T341-F371 HydrophobicContact CG2-CD1 3.77Å; T341-F371 HydrophobicContact CG2-CD2 3.86Å; T341-F371 HydrophobicContact CG2-CE1 3.85Å; T341-F371 HydrophobicContact CG2-CE2 3.93Å; T341-F371 HydrophobicContact CG2-CG 3.78Å; T341-F371 HydrophobicContact CG2-CZ 3.92Å; T341-E373 WeakPolarHBondContact CA-OE2 3.47Å; T341-E373 VanDerWaalsContact CB-OE2 3.27Å; T341-E373 WeakPolarHBondContact CB-OE2 3.49Å
342	A	97.3	Very high	95.4	Very high	19 Å²	19	23.8 Å²	23.8	16%	0.157	13%	0.133	C	C	.	.	S	Bend	trans	-78.1	114.6	175.9	0	0	0	0	0	112.1	V366 E373 F377	A342-V366 HydrophobicContact CB-CB 4.33Å; A342-V366 HydrophobicContact CB-CG1 4.33Å; A342-E373 HydrophobicContact CB-CB 4.09Å; A342-E373 PolarHBondContact N-OE2 3.41Å; A342-F377 HydrophobicContact CB-CE2 4.41Å; A342-F377 HydrophobicContact CB-CZ 4.4Å; A342-F377 WeakPolarHBondContact O-CZ 3.18Å
343	F	96.5	Very high	95.2	Very high	61 Å²	61	24.2 Å²	24.2	27%	0.268	14%	0.136	S	C	.	.			trans	-158	174.1	173.5	64.5	-86.9	0	0	0	109.9	H337 Q340 T341 F405	H337-F343 AromaticContact CE1-CD1 4Å; H337-F343 AromaticContact CE1-CE1 3.9Å; H337-F343 PolarHBondContact CE1-O 3.47Å; H337-F343 AromaticContact ND1-CE1 3.89Å; Q340-F343 HydrophobicContact CB-CE1 4.05Å; T341-F343 VanDerWaalsContact O-CD1 3.24Å; T341-F343 WeakPolarHBondContact O-CD1 3.31Å; T341-F343 PolarHBondContact O-N 3.37Å; F343-F405 HydrophobicContact CB-CE2 4.47Å; F343-F405 HydrophobicContact CB-CZ 3.91Å
344	L	95.9	Very high	94.8	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	14%	0.141	C	C	.	.			trans	-98.1	119.1	167.8	-60.7	-174.1	0	0	0	110.8	D348 L349 A364 V366 F377 L379 F405	L344-D348 HydrophobicContact CB-CB 4.02Å; L344-D348 HydrophobicContact CD2-CB 3.91Å; L344-L349 HydrophobicContact CB-CD2 3.76Å; L344-L349 HydrophobicContact CB-CG 4.17Å; L344-L349 HydrophobicContact CD1-CD2 4.02Å; L344-A364 HydrophobicContact CD1-CB 4.49Å; L344-A364 HydrophobicContact CD2-CB 3.78Å; L344-V366 HydrophobicContact CD2-CG2 3.83Å; L344-F377 HydrophobicContact CD1-CB 3.88Å; L344-F377 HydrophobicContact CD2-CB 4.22Å; L344-F377 HydrophobicContact CD2-CD2 3.83Å; L344-F377 HydrophobicContact CD2-CG 4.45Å; L344-F377 HydrophobicContact CG-CB 3.96Å; L344-F377 HydrophobicContact CG-CD2 3.89Å; L344-F377 HydrophobicContact CG-CG 4.19Å; L344-L379 HydrophobicContact CD1-CD2 4.41Å; L344-F405 HydrophobicContact CB-CD1 4.14Å; L344-F405 HydrophobicContact CB-CD2 4.27Å; L344-F405 HydrophobicContact CB-CE1 4.36Å; L344-F405 HydrophobicContact CB-CE2 4.49Å; L344-F405 HydrophobicContact CB-CG 4.1Å; L344-F405 HydrophobicContact CD1-CB 3.82Å; L344-F405 HydrophobicContact CD1-CD2 4.2Å; L344-F405 HydrophobicContact CD1-CG 4.04Å; L344-F405 HydrophobicContact CG-CB 4.46Å; L344-F405 HydrophobicContact CG-CD2 4Å; L344-F405 HydrophobicContact CG-CE2 4.43Å; L344-F405 HydrophobicContact CG-CG 4.13Å
345	S	93.4	Very high	94.5	Very high	22 Å²	22	26.9 Å²	26.9	15%	0.154	15%	0.15	C	C	.	.			trans	-70.9	170.2	170.1	80.5	0	0	0	0	111.6	V347 D348 L349	S345-V347 PolarHBondContact O-N 2.04Å; S345-V347 VanDerWaalsContact O-N 3.17Å; S345-V347 PolarHBondContact OG-N 2.96Å; S345-D348 WeakPolarHBondContact CA-OD2 3.05Å; S345-D348 WeakPolarHBondContact CB-OD2 3.38Å; S345-D348 PolarHBondContact N-OD2 2.79Å; S345-D348 PolarHBondContact O-N 3.19Å; S345-D348 PolarHBondContact OG-N 3.22Å; S345-D348 PolarHBondContact OG-OD1 2.87Å; S345-D348 PolarHBondContact OG-OD2 2.74Å; S345-L349 WeakPolarHBondContact O-CG 3.45Å; S345-L349 PolarHBondContact O-N 2.77Å
346	S	91.6	Very high	94.3	Very high	21 Å²	21	27.5 Å²	27.5	15%	0.147	15%	0.153	C	C	.	.	H	α-helix	trans	-57.1	-31.1	174.5	175.3	0	0	0	0	113.4	H350 H396 H398	S346-H350 PolarHBondContact O-CD2 2.81Å; S346-H350 PolarHBondContact O-N 2.83Å; S346-H396 WeakPolarHBondContact CB-O 3.37Å; S346-H396 PolarHBondContact OG-O 3.16Å; S346-H398 PolarHBondContact OG-CD2 2.68Å; S346-H398 VanDerWaalsContact OG-CD2 3.25Å; S346-H398 PolarHBondContact OG-NE2 3.24Å
347	V	91	Very high	93.7	Very high	33 Å²	33	30.5 Å²	30.5	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-75.4	-37.3	178.3	177	0	0	0	0	109.9	S345 H350 T351 F395	S345-V347 PolarHBondContact O-N 2.04Å; S345-V347 VanDerWaalsContact O-N 3.17Å; S345-V347 PolarHBondContact OG-N 2.96Å; V347-H350 PolarHBondContact O-N 2.75Å; V347-T351 VanDerWaalsContact O-CB 3.28Å; V347-T351 WeakPolarHBondContact O-CB 3.32Å; V347-T351 PolarHBondContact O-N 3.02Å; V347-T351 PolarHBondContact O-OG1 3.19Å; V347-F395 HydrophobicContact CG2-CD1 3.76Å; V347-F395 HydrophobicContact CG2-CE1 3.46Å; V347-F395 VanDerWaalsContact CG2-CE1 3.46Å; V347-F395 HydrophobicContact CG2-CE2 4.35Å; V347-F395 HydrophobicContact CG2-CG 4.33Å; V347-F395 HydrophobicContact CG2-CZ 3.8Å
348	D	94.7	Very high	93.1	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-69.9	-38	178.4	-47.4	-30.9	0	0	0	111.7	W333 H335 H337 L344 S345 T351 H352	W333-D348 HydrophobicContact CH2-CB 3.75Å; W333-D348 HydrophobicContact CZ2-CB 3.89Å; H335-D348 IonicContact CE1-OD1 3.15Å; H335-D348 IonicContact CE1-OD2 2.73Å; H335-D348 IonicContact NE2-OD1 2.68Å; H335-D348 PolarHBondContact NE2-OD1 3.46Å; H335-D348 IonicContact NE2-OD2 2.68Å; H335-D348 PolarHBondContact NE2-OD2 3.41Å; H337-D348 IonicContact NE2-OD2 3.88Å; L344-D348 HydrophobicContact CB-CB 4.02Å; L344-D348 HydrophobicContact CD2-CB 3.91Å; S345-D348 WeakPolarHBondContact CA-OD2 3.05Å; S345-D348 WeakPolarHBondContact CB-OD2 3.38Å; S345-D348 PolarHBondContact N-OD2 2.79Å; S345-D348 PolarHBondContact O-N 3.19Å; S345-D348 PolarHBondContact OG-N 3.22Å; S345-D348 PolarHBondContact OG-OD1 2.87Å; S345-D348 PolarHBondContact OG-OD2 2.74Å; D348-T351 PolarHBondContact O-N 2.83Å; D348-H352 WeakPolarHBondContact O-CB 3.36Å; D348-H352 PolarHBondContact O-N 3.44Å
349	L	94.9	Very high	92.9	Very high	11 Å²	11	32.4 Å²	32.4	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-51.9	174.1	-66.8	174.8	0	0	0	110.9	L344 S345 H352 C353 L379 I387 L404 F405	L344-L349 HydrophobicContact CB-CD2 3.76Å; L344-L349 HydrophobicContact CB-CG 4.17Å; L344-L349 HydrophobicContact CD1-CD2 4.02Å; S345-L349 WeakPolarHBondContact O-CG 3.45Å; S345-L349 PolarHBondContact O-N 2.77Å; L349-H352 PolarHBondContact O-N 3.45Å; L349-C353 VanDerWaalsContact O-CB 3.31Å; L349-C353 WeakPolarHBondContact O-CB 3.34Å; L349-C353 PolarHBondContact O-N 3.43Å; L349-L379 HydrophobicContact CB-CD2 4.37Å; L349-L379 HydrophobicContact CD2-CD2 3.34Å; L349-L379 HydrophobicContact CG-CD2 4.44Å; L349-I387 HydrophobicContact CB-CD1 3.82Å; L349-I387 HydrophobicContact CB-CG1 4.11Å; L349-I387 HydrophobicContact CD1-CD1 4.11Å; L349-L404 HydrophobicContact CD1-CB 4.44Å; L349-L404 HydrophobicContact CD1-CD1 4.24Å; L349-L404 HydrophobicContact CD2-CB 4.44Å; L349-F405 HydrophobicContact CD2-CB 3.97Å; L349-F405 HydrophobicContact CD2-CD1 3.94Å; L349-F405 HydrophobicContact CD2-CG 4.27Å
350	H	92.1	Very high	92.8	Very high	56 Å²	56	31.8 Å²	31.8	26%	0.259	17%	0.174	S	C	.	.	H	α-helix	trans	-61.2	-43.3	176.1	-91.2	-78.7	0	0	0	112.6	S346 V347 I387 H396 H398	S346-H350 PolarHBondContact O-CD2 2.81Å; S346-H350 PolarHBondContact O-N 2.83Å; V347-H350 PolarHBondContact O-N 2.75Å; H350-I387 HydrophobicContact CB-CG2 4.4Å; H350-H396 AromaticContact CD2-CE1 3.66Å; H350-H396 AromaticContact CD2-NE2 3.68Å; H350-H396 AromaticContact NE2-CE1 3.29Å; H350-H396 PolarHBondContact NE2-CE1 3.18Å; H350-H396 VanDerWaalsContact NE2-CE1 3.29Å; H350-H396 AromaticContact NE2-NE2 3.05Å; H350-H396 PolarHBondContact NE2-NE2 3.17Å; H350-H398 AromaticContact CD2-NE2 3.89Å; H350-H398 AromaticContact NE2-CE1 3.9Å; H350-H398 AromaticContact NE2-NE2 3.62Å
351	T	91.6	Very high	92.8	Very high	47 Å²	47	29 Å²	29	29%	0.288	16%	0.161	S	C	.	.	H	α-helix	trans	-60	-55.1	177.2	-62.5	0	0	0	0	110.2	W333 V347 D348 C353 S354 Y355	W333-T351 HydrophobicContact CD2-CG2 4.28Å; W333-T351 HydrophobicContact CH2-CG2 4.15Å; W333-T351 HydrophobicContact CZ2-CG2 3.87Å; W333-T351 HydrophobicContact CZ3-CG2 4.47Å; V347-T351 VanDerWaalsContact O-CB 3.28Å; V347-T351 WeakPolarHBondContact O-CB 3.32Å; V347-T351 PolarHBondContact O-N 3.02Å; V347-T351 PolarHBondContact O-OG1 3.19Å; D348-T351 PolarHBondContact O-N 2.83Å; T351-C353 PolarHBondContact O-N 3.08Å; T351-S354 PolarHBondContact O-N 3.2Å; T351-S354 PolarHBondContact O-OG 2.97Å; T351-Y355 HydrophobicContact CG2-CE2 4.04Å; T351-Y355 WeakPolarHBondContact O-CD2 3.47Å
352	H	95.4	Very high	92.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.1	-35	-174.8	-169.8	32	0	0	0	113.4	W333 D348 L349 S354 Y355 Q356 S362 A364 F377 K378	W333-H352 HydrophobicContact CZ2-CB 4.3Å; W333-H352 AromaticContact NE1-CG 3.74Å; W333-H352 AromaticContact NE1-ND1 3.59Å; D348-H352 WeakPolarHBondContact O-CB 3.36Å; D348-H352 PolarHBondContact O-N 3.44Å; L349-H352 PolarHBondContact O-N 3.45Å; H352-S354 PolarHBondContact O-N 3.41Å; H352-S354 VanDerWaalsContact O-N 3.16Å; H352-Y355 WeakPolarHBondContact O-CB 3.31Å; H352-Y355 PolarHBondContact O-N 3.03Å; H352-Q356 PolarHBondContact O-N 3.27Å; H352-S362 PolarHBondContact CE1-O 3.44Å; H352-A364 HydrophobicContact CB-CB 4.44Å; H352-F377 PolarHBondContact NE2-O 2.97Å; H352-K378 WeakPolarHBondContact NE2-CA 3.34Å
353	C	93.2	Very high	92.9	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-49.8	-41.5	171.7	-174.4	0	0	0	0	111.7	L349 T351 Y355 Q356 M357 L379 I387	L349-C353 VanDerWaalsContact O-CB 3.31Å; L349-C353 WeakPolarHBondContact O-CB 3.34Å; L349-C353 PolarHBondContact O-N 3.43Å; T351-C353 PolarHBondContact O-N 3.08Å; C353-Y355 VanDerWaalsContact C-N 3.29Å; C353-Y355 PolarHBondContact O-N 3.31Å; C353-Q356 PolarHBondContact O-N 3.45Å; C353-M357 WeakPolarHBondContact O-CB 3.32Å; C353-M357 WeakPolarHBondContact O-CG 3.49Å; C353-M357 PolarHBondContact O-N 3.26Å; C353-L379 HydrophobicContact CB-CD1 3.58Å; C353-I387 HydrophobicContact CB-CB 4.27Å; C353-I387 HydrophobicContact CB-CG2 3.59Å
354	S	88.8	Confident	93	Very high	22 Å²	22	22.6 Å²	22.6	15%	0.154	13%	0.125	C	C	.	.	H	α-helix	trans	-71.7	-19.3	-179.3	78.7	0	0	0	0	114.4	R35 T351 H352 M358	R35-S354 PolarHBondContact NH1-OG 2.97Å; T351-S354 PolarHBondContact O-N 3.2Å; T351-S354 PolarHBondContact O-OG 2.97Å; H352-S354 PolarHBondContact O-N 3.41Å; H352-S354 VanDerWaalsContact O-N 3.16Å; S354-M358 WeakPolarHBondContact O-CG 3.46Å
355	Y	92.3	Very high	93.1	Very high	48 Å²	48	22.3 Å²	22.3	19%	0.188	12%	0.123	C	C	.	.	H	α-helix	trans	-84.2	-50.1	169.8	-70	-98	0	0	0	111	I284 T330 W333 T351 H352 C353 M357 M358 L359	I284-Y355 WeakPolarHBondContact CD1-OH 3.1Å; T330-Y355 HydrophobicContact CG2-CD1 3.85Å; T330-Y355 HydrophobicContact CG2-CE1 3.71Å; W333-Y355 AromaticContact CD1-CD2 3.97Å; W333-Y355 HydrophobicContact CG-CE2 4.28Å; T351-Y355 HydrophobicContact CG2-CE2 4.04Å; T351-Y355 WeakPolarHBondContact O-CD2 3.47Å; H352-Y355 WeakPolarHBondContact O-CB 3.31Å; H352-Y355 PolarHBondContact O-N 3.03Å; C353-Y355 VanDerWaalsContact C-N 3.29Å; C353-Y355 PolarHBondContact O-N 3.31Å; Y355-M357 VanDerWaalsContact C-N 3.3Å; Y355-M357 PolarHBondContact O-N 3.31Å; Y355-M358 WeakPolarHBondContact O-CB 3.24Å; Y355-M358 PolarHBondContact O-N 3.19Å; Y355-L359 PolarHBondContact O-N 2.81Å
356	Q	94.3	Very high	93.4	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.056	12%	0.116	C	C	.	.	H	α-helix	trans	-66.1	-30.5	-174	-168.6	174.5	-15.4	0	0	112.7	H352 C353 M358 L359 P360 L379 L384	H352-Q356 PolarHBondContact O-N 3.27Å; C353-Q356 PolarHBondContact O-N 3.45Å; Q356-M358 VanDerWaalsContact C-N 3.28Å; Q356-M358 PolarHBondContact O-N 3.39Å; Q356-L359 WeakPolarHBondContact CA-O 3.36Å; Q356-L359 CarbonylContact O-C 3.52Å; Q356-L359 VanDerWaalsContact O-C 3.26Å; Q356-P360 WeakPolarHBondContact O-CA 3.13Å; Q356-L379 PolarHBondContact NE2-O 2.68Å; Q356-L379 VanDerWaalsContact OE1-CB 3.27Å; Q356-L384 HydrophobicContact CB-CD2 4.13Å; Q356-L384 HydrophobicContact CG-CD1 4.4Å; Q356-L384 HydrophobicContact CG-CD2 4.12Å
357	M	86.4	Confident	93.7	Very high	63 Å²	63	20.2 Å²	20.2	31%	0.31	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.2	170.3	-71.8	-65.9	-69.7	0	0	113.6	C353 Y355 L384	C353-M357 WeakPolarHBondContact O-CB 3.32Å; C353-M357 WeakPolarHBondContact O-CG 3.49Å; C353-M357 PolarHBondContact O-N 3.26Å; Y355-M357 VanDerWaalsContact C-N 3.3Å; Y355-M357 PolarHBondContact O-N 3.31Å; M357-L384 HydrophobicContact CG-CD2 4.2Å; M357-L384 HydrophobicContact SD-CD2 4.09Å
358	M	84.5	Confident	94	Very high	38 Å²	38	18.7 Å²	18.7	19%	0.187	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-43.1	176.6	-60.6	-62.6	100	0	0	111.4	I31 Y36 S354 Y355 Q356	I31-M358 HydrophobicContact CD1-CE 4.39Å; Y36-M358 HydrophobicContact CD1-CE 4.23Å; Y36-M358 HydrophobicContact CD1-SD 4.08Å; Y36-M358 HydrophobicContact CE1-CE 3.74Å; Y36-M358 HydrophobicContact CE1-SD 4.2Å; S354-M358 WeakPolarHBondContact O-CG 3.46Å; Y355-M358 WeakPolarHBondContact O-CB 3.24Å; Y355-M358 PolarHBondContact O-N 3.19Å; Q356-M358 VanDerWaalsContact C-N 3.28Å; Q356-M358 PolarHBondContact O-N 3.39Å
359	L	90.9	Very high	94	Very high	11 Å²	11	20.6 Å²	20.6	6%	0.058	11%	0.112	C	C	.	.			trans	-132.4	104.7	178.7	179.3	68.5	0	0	0	109.8	F294 T330 L331 Y355 Q356 E361 S362	F294-L359 HydrophobicContact CE2-CD1 4.03Å; F294-L359 HydrophobicContact CZ-CD1 3.71Å; F294-L359 HydrophobicContact CZ-CD2 4.44Å; T330-L359 VanDerWaalsContact O-CD2 3.25Å; T330-L359 WeakPolarHBondContact O-CD2 3.47Å; L331-L359 HydrophobicContact CD2-CD2 3.88Å; Y355-L359 PolarHBondContact O-N 2.81Å; Q356-L359 WeakPolarHBondContact CA-O 3.36Å; Q356-L359 CarbonylContact O-C 3.52Å; Q356-L359 VanDerWaalsContact O-C 3.26Å; L359-E361 VanDerWaalsContact CD1-OE2 3.26Å; L359-E361 WeakPolarHBondContact CD1-OE2 3.39Å; L359-E361 HydrophobicContact CG-CB 4.44Å; L359-E361 PolarHBondContact O-N 3.47Å; L359-E361 VanDerWaalsContact O-N 3.13Å; L359-S362 WeakPolarHBondContact O-CB 3.28Å; L359-S362 PolarHBondContact O-N 3.06Å
360	P	92.6	Very high	94	Very high	59 Å²	59	26.3 Å²	26.3	38%	0.383	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.1	-176.6	-28.6	37.2	0	0	0	114.9	L254 Q356 S362	L254-P360 HydrophobicContact CD2-CB 3.72Å; Q356-P360 WeakPolarHBondContact O-CA 3.13Å; P360-S362 PolarHBondContact O-N 2.62Å
361	E	95.8	Very high	94.2	Very high	11 Å²	11	28.3 Å²	28.3	5%	0.051	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.1	176.2	-64	84.8	173.6	0	0	114.5	L254 R255 V257 F294 L359 I363 H410	L254-E361 HydrophobicContact CB-CG 4.13Å; L254-E361 HydrophobicContact CD2-CG 4.25Å; R255-E361 HydrophobicContact CB-CG 3.91Å; R255-E361 WeakPolarHBondContact CB-OE1 3.45Å; R255-E361 IonicContact CZ-OE1 3.83Å; R255-E361 IonicContact CZ-OE2 2.62Å; R255-E361 PolarHBondContact N-OE1 3.02Å; R255-E361 VanDerWaalsContact N-OE1 3.17Å; R255-E361 IonicContact NE-OE1 3.84Å; R255-E361 PolarHBondContact NE-OE1 2.94Å; R255-E361 IonicContact NE-OE2 2.77Å; R255-E361 VanDerWaalsContact NH2-CD 3.25Å; R255-E361 IonicContact NH2-OE1 3.7Å; R255-E361 PolarHBondContact NH2-OE1 2.88Å; R255-E361 IonicContact NH2-OE2 3.62Å; R255-E361 PolarHBondContact NH2-OE2 2.98Å; R255-E361 WeakPolarHBondContact O-CG 3.41Å; V257-E361 HydrophobicContact CG2-CB 4.02Å; F294-E361 HydrophobicContact CD2-CB 4.12Å; F294-E361 HydrophobicContact CD2-CG 4.25Å; F294-E361 HydrophobicContact CE2-CB 3.99Å; F294-E361 HydrophobicContact CE2-CG 3.95Å; L359-E361 VanDerWaalsContact CD1-OE2 3.26Å; L359-E361 WeakPolarHBondContact CD1-OE2 3.39Å; L359-E361 HydrophobicContact CG-CB 4.44Å; L359-E361 PolarHBondContact O-N 3.47Å; L359-E361 VanDerWaalsContact O-N 3.13Å; E361-I363 WeakPolarHBondContact O-CG2 3.37Å; E361-H410 PolarHBondContact O-NE2 2.74Å
362	S	97.3	Very high	94.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	17%	0.171	C	C	.	.			trans	-60.9	145.2	-174.3	-170.6	0	0	0	0	112.2	L331 G332 H352 L359 P360	L331-S362 VanDerWaalsContact O-CA 3.25Å; L331-S362 WeakPolarHBondContact O-CA 3.05Å; L331-S362 PolarHBondContact O-OG 3.34Å; L331-S362 VanDerWaalsContact O-OG 3.07Å; G332-S362 WeakPolarHBondContact CA-OG 3.4Å; G332-S362 PolarHBondContact N-OG 3.05Å; H352-S362 PolarHBondContact CE1-O 3.44Å; L359-S362 WeakPolarHBondContact O-CB 3.28Å; L359-S362 PolarHBondContact O-N 3.06Å; P360-S362 PolarHBondContact O-N 2.62Å
363	I	98.1	Very high	94.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.8	-177.7	68	177.1	0	0	0	112.6	V257 V259 L285 I296 L331 G332 W333 E361 I365 C408 V411	V257-I363 HydrophobicContact CG1-CD1 4.16Å; V259-I363 HydrophobicContact CG2-CD1 3.94Å; L285-I363 HydrophobicContact CD1-CD1 4.33Å; L285-I363 HydrophobicContact CD1-CG1 3.93Å; I296-I363 HydrophobicContact CD1-CD1 4.03Å; L331-I363 PolarHBondContact O-N 3.37Å; L331-I363 VanDerWaalsContact O-N 3.11Å; G332-I363 WeakPolarHBondContact CA-O 3.41Å; W333-I363 PolarHBondContact N-O 3.38Å; W333-I363 VanDerWaalsContact N-O 3.12Å; E361-I363 WeakPolarHBondContact O-CG2 3.37Å; I363-I365 HydrophobicContact CD1-CD1 3.98Å; I363-I365 HydrophobicContact CD1-CG1 3.95Å; I363-I365 HydrophobicContact CG1-CG1 4.23Å; I363-C408 HydrophobicContact CG2-CB 4.49Å; I363-V411 HydrophobicContact CD1-CG2 4.3Å; I363-V411 HydrophobicContact CG2-CG2 3.83Å
364	A	98.4	Very high	94.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118	165.3	0	0	0	0	0	109.4	W333 L344 H352 F377	W333-A364 HydrophobicContact CZ2-CB 4.26Å; W333-A364 WeakPolarHBondContact O-CA 3.38Å; L344-A364 HydrophobicContact CD1-CB 4.49Å; L344-A364 HydrophobicContact CD2-CB 3.78Å; H352-A364 HydrophobicContact CB-CB 4.44Å; A364-F377 PolarHBondContact N-O 3.16Å; A364-F377 PolarHBondContact O-N 3.13Å
365	I	98.5	Very high	95	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.6	175.9	-57	179	0	0	0	109.4	V259 L285 W333 I334 H335 I363 T374 G375 F376	V259-I365 HydrophobicContact CG1-CD1 4.17Å; L285-I365 HydrophobicContact CD1-CD1 3.54Å; L285-I365 HydrophobicContact CD1-CG1 3.8Å; L285-I365 HydrophobicContact CD2-CD1 4.2Å; W333-I365 PolarHBondContact O-N 3.01Å; I334-I365 CarbonylContact C-O 3.56Å; I334-I365 VanDerWaalsContact CA-O 3.26Å; I334-I365 WeakPolarHBondContact CA-O 3.24Å; I334-I365 HydrophobicContact CB-CB 3.99Å; I334-I365 HydrophobicContact CD1-CB 4.15Å; I334-I365 HydrophobicContact CD1-CG2 3.8Å; I334-I365 HydrophobicContact CG1-CB 3.87Å; I334-I365 HydrophobicContact CG1-CG2 3.93Å; H335-I365 PolarHBondContact N-O 3.41Å; I363-I365 HydrophobicContact CD1-CD1 3.98Å; I363-I365 HydrophobicContact CD1-CG1 3.95Å; I363-I365 HydrophobicContact CG1-CG1 4.23Å; I365-T374 HydrophobicContact CG2-CG2 3.96Å; I365-G375 WeakPolarHBondContact CA-O 3.43Å; I365-F376 HydrophobicContact CD1-CD1 4.1Å; I365-F376 HydrophobicContact CD1-CE1 3.9Å; I365-F376 HydrophobicContact CG1-CD1 3.83Å; I365-F376 HydrophobicContact CG1-CE1 4.07Å; I365-F376 HydrophobicContact CG2-CD1 4.44Å; I365-F376 HydrophobicContact CG2-CE1 4.2Å
366	V	98.5	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.3	-177.8	-170.5	0	0	0	0	109.9	H337 A342 L344 T374 G375 F377	H337-V366 HydrophobicContact CB-CG1 4.35Å; A342-V366 HydrophobicContact CB-CB 4.33Å; A342-V366 HydrophobicContact CB-CG1 4.33Å; L344-V366 HydrophobicContact CD2-CG2 3.83Å; V366-T374 WeakPolarHBondContact O-CA 3.38Å; V366-G375 PolarHBondContact N-O 3.38Å; V366-G375 PolarHBondContact O-N 3.39Å; V366-F377 HydrophobicContact CB-CD2 4.39Å; V366-F377 HydrophobicContact CB-CE2 4.05Å; V366-F377 HydrophobicContact CG2-CD2 3.69Å; V366-F377 HydrophobicContact CG2-CE2 3.81Å
367	C	98.1	Very high	95.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.3	179.4	-64.7	0	0	0	0	110.8	L268 H335 T336 H337 P369	L268-C367 HydrophobicContact CD1-CB 4.36Å; L268-C367 HydrophobicContact CD2-CB 3.93Å; L268-C367 HydrophobicContact CG-CB 4.16Å; H335-C367 PolarHBondContact O-N 3.12Å; T336-C367 WeakPolarHBondContact CA-O 3.19Å; T336-C367 HydrophobicContact CG2-CB 4.22Å; H337-C367 PolarHBondContact N-O 3.25Å; C367-P369 WeakPolarHBondContact O-CD 3.29Å
368	S	97.8	Very high	96	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	90.2	172.7	-179.5	0	0	0	0	110.7	Q340 K370 F371 Q372 E373	Q340-S368 WeakPolarHBondContact O-CB 3.46Å; Q340-S368 PolarHBondContact O-OG 3.17Å; S368-K370 VanDerWaalsContact C-N 3.26Å; S368-K370 PolarHBondContact O-N 3.2Å; S368-F371 PolarHBondContact O-N 3.5Å; S368-F371 WeakPolarHBondContact OG-CD2 3.34Å; S368-Q372 WeakPolarHBondContact O-CA 3.44Å; S368-Q372 PolarHBondContact O-N 3.06Å; S368-E373 PolarHBondContact N-O 3.17Å; S368-E373 PolarHBondContact O-N 2.9Å; S368-E373 VanDerWaalsContact O-N 3.15Å
369	P	95.5	Very high	96.6	Very high	44 Å²	44	36.8 Å²	36.8	29%	0.286	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.2	-177.1	23.7	-31.8	0	0	0	113.2	L268 T275 C367	L268-P369 HydrophobicContact CD1-CB 4.44Å; L268-P369 HydrophobicContact CD2-CB 3.91Å; L268-P369 HydrophobicContact CD2-CG 3.9Å; T275-P369 HydrophobicContact CG2-CB 4.39Å; T275-P369 HydrophobicContact CG2-CG 3.52Å; C367-P369 WeakPolarHBondContact O-CD 3.29Å
370	K	94.9	Very high	96.9	Very high	131 Å²	131	37.8 Å²	37.8	57%	0.57	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-35.9	179.1	178.6	179.8	165.4	-167.6	0	113	T339 S368	T339-K370 WeakPolarHBondContact O-CD 3.44Å; T339-K370 PolarHBondContact O-NZ 3.27Å; S368-K370 VanDerWaalsContact C-N 3.26Å; S368-K370 PolarHBondContact O-N 3.2Å
371	F	96	Very high	96.8	Very high	97 Å²	97	41.5 Å²	41.5	43%	0.425	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-6	179	-65.7	-93.1	0	0	0	112.7	T341 S368 E373	T341-F371 HydrophobicContact CG2-CB 4.49Å; T341-F371 HydrophobicContact CG2-CD1 3.77Å; T341-F371 HydrophobicContact CG2-CD2 3.86Å; T341-F371 HydrophobicContact CG2-CE1 3.85Å; T341-F371 HydrophobicContact CG2-CE2 3.93Å; T341-F371 HydrophobicContact CG2-CG 3.78Å; T341-F371 HydrophobicContact CG2-CZ 3.92Å; S368-F371 PolarHBondContact O-N 3.5Å; S368-F371 WeakPolarHBondContact OG-CD2 3.34Å; F371-E373 HydrophobicContact CB-CG 3.83Å; F371-E373 PolarHBondContact O-N 3.27Å
372	Q	94.7	Very high	96.7	Very high	183 Å²	183	44.7 Å²	44.7	86%	0.855	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	27.4	-174.5	-52.1	-179.8	16.9	0	0	113	S368	S368-Q372 WeakPolarHBondContact O-CA 3.44Å; S368-Q372 PolarHBondContact O-N 3.06Å
373	E	95.8	Very high	96.6	Very high	79 Å²	79	44.7 Å²	44.7	37%	0.369	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	153	180	-58.3	170.6	161.6	0	0	111.3	T341 A342 S368 F371	T341-E373 WeakPolarHBondContact CA-OE2 3.47Å; T341-E373 VanDerWaalsContact CB-OE2 3.27Å; T341-E373 WeakPolarHBondContact CB-OE2 3.49Å; A342-E373 HydrophobicContact CB-CB 4.09Å; A342-E373 PolarHBondContact N-OE2 3.41Å; S368-E373 PolarHBondContact N-O 3.17Å; S368-E373 PolarHBondContact O-N 2.9Å; S368-E373 VanDerWaalsContact O-N 3.15Å; F371-E373 HydrophobicContact CB-CG 3.83Å; F371-E373 PolarHBondContact O-N 3.27Å
374	T	97.2	Very high	96.3	Very high	58 Å²	58	46.1 Å²	46.1	36%	0.356	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	115.7	167.1	-62.6	0	0	0	0	108.6	C264 I365 V366 F376	C264-T374 HydrophobicContact CB-CG2 4.38Å; I365-T374 HydrophobicContact CG2-CG2 3.96Å; V366-T374 WeakPolarHBondContact O-CA 3.38Å; T374-F376 HydrophobicContact CG2-CD2 4.47Å; T374-F376 HydrophobicContact CG2-CE1 4.4Å; T374-F376 HydrophobicContact CG2-CE2 3.77Å; T374-F376 HydrophobicContact CG2-CZ 3.73Å
375	G	97.6	Very high	96	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	140.3	175.4	0	0	0	0	0	111.6	I365 V366	I365-G375 WeakPolarHBondContact CA-O 3.43Å; V366-G375 PolarHBondContact N-O 3.38Å; V366-G375 PolarHBondContact O-N 3.39Å
376	F	98.3	Very high	95.7	Very high	45 Å²	45	55.4 Å²	55.4	20%	0.197	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	98.9	170.6	-61.5	-87.7	0	0	0	107.2	V259 I365 T374 S407 C408 V411 V413	V259-F376 HydrophobicContact CG1-CE1 4.14Å; V259-F376 HydrophobicContact CG2-CE1 4.3Å; I365-F376 HydrophobicContact CD1-CD1 4.1Å; I365-F376 HydrophobicContact CD1-CE1 3.9Å; I365-F376 HydrophobicContact CG1-CD1 3.83Å; I365-F376 HydrophobicContact CG1-CE1 4.07Å; I365-F376 HydrophobicContact CG2-CD1 4.44Å; I365-F376 HydrophobicContact CG2-CE1 4.2Å; T374-F376 HydrophobicContact CG2-CD2 4.47Å; T374-F376 HydrophobicContact CG2-CE1 4.4Å; T374-F376 HydrophobicContact CG2-CE2 3.77Å; T374-F376 HydrophobicContact CG2-CZ 3.73Å; F376-S407 CarbonylContact O-C 3.57Å; F376-S407 VanDerWaalsContact O-CA 3.29Å; F376-S407 WeakPolarHBondContact O-CA 3.22Å; F376-C408 PolarHBondContact O-N 2.88Å; F376-V411 HydrophobicContact CD1-CG1 4.26Å; F376-V411 HydrophobicContact CG-CG1 4.5Å; F376-V413 HydrophobicContact CE1-CG2 4.35Å; F376-V413 HydrophobicContact CE2-CG2 4.16Å; F376-V413 HydrophobicContact CZ-CG2 3.8Å
377	F	98.4	Very high	95.5	Very high	17 Å²	17	55.6 Å²	55.6	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151	-168.1	-56.1	-55.8	0	0	0	113.2	A342 L344 H352 A364 V366 F405 C406 C408	A342-F377 HydrophobicContact CB-CE2 4.41Å; A342-F377 HydrophobicContact CB-CZ 4.4Å; A342-F377 WeakPolarHBondContact O-CZ 3.18Å; L344-F377 HydrophobicContact CD1-CB 3.88Å; L344-F377 HydrophobicContact CD2-CB 4.22Å; L344-F377 HydrophobicContact CD2-CD2 3.83Å; L344-F377 HydrophobicContact CD2-CG 4.45Å; L344-F377 HydrophobicContact CG-CB 3.96Å; L344-F377 HydrophobicContact CG-CD2 3.89Å; L344-F377 HydrophobicContact CG-CG 4.19Å; H352-F377 PolarHBondContact NE2-O 2.97Å; A364-F377 PolarHBondContact N-O 3.16Å; A364-F377 PolarHBondContact O-N 3.13Å; V366-F377 HydrophobicContact CB-CD2 4.39Å; V366-F377 HydrophobicContact CB-CE2 4.05Å; V366-F377 HydrophobicContact CG2-CD2 3.69Å; V366-F377 HydrophobicContact CG2-CE2 3.81Å; F377-F405 HydrophobicContact CB-CD2 4.17Å; F377-F405 AromaticContact CD1-CD2 3.81Å; F377-F405 HydrophobicContact CD1-CD2 3.81Å; F377-F405 AromaticContact CD1-CE2 3.9Å; F377-F405 HydrophobicContact CD1-CE2 3.9Å; F377-F405 HydrophobicContact CD2-CD2 4.48Å; F377-F405 HydrophobicContact CD2-CE2 4.41Å; F377-F405 HydrophobicContact CE1-CD2 4.32Å; F377-F405 AromaticContact CE1-CE2 3.93Å; F377-F405 HydrophobicContact CE1-CE2 3.93Å; F377-F405 HydrophobicContact CE2-CE2 4.43Å; F377-F405 AromaticContact CG-CD2 3.91Å; F377-F405 HydrophobicContact CG-CD2 3.91Å; F377-F405 HydrophobicContact CG-CE2 4.15Å; F377-F405 HydrophobicContact CZ-CE2 4.2Å; F377-C406 WeakPolarHBondContact CA-O 3.3Å; F377-C408 PolarHBondContact O-SG 3.05Å
378	K	97.8	Very high	95	Very high	26 Å²	26	57 Å²	57	11%	0.113	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.8	162.7	65	177.6	-179.4	-174	0	109.8	L254 H352 F405 C406	L254-K378 HydrophobicContact CD1-CD 4.2Å; H352-K378 WeakPolarHBondContact NE2-CA 3.34Å; K378-F405 CarbonylContact O-C 3.57Å; K378-F405 VanDerWaalsContact O-CA 3.27Å; K378-F405 WeakPolarHBondContact O-CA 3.3Å; K378-F405 WeakPolarHBondContact O-CB 2.96Å; K378-C406 PolarHBondContact N-O 2.81Å; K378-C406 PolarHBondContact O-N 3.37Å
379	L	97.2	Very high	94.6	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	148	164.9	-59.4	-177.6	0	0	0	110.4	L344 L349 C353 Q356 L384 L404 F405	L344-L379 HydrophobicContact CD1-CD2 4.41Å; L349-L379 HydrophobicContact CB-CD2 4.37Å; L349-L379 HydrophobicContact CD2-CD2 3.34Å; L349-L379 HydrophobicContact CG-CD2 4.44Å; C353-L379 HydrophobicContact CB-CD1 3.58Å; Q356-L379 PolarHBondContact NE2-O 2.68Å; Q356-L379 VanDerWaalsContact OE1-CB 3.27Å; L379-L384 HydrophobicContact CB-CD2 4.26Å; L379-L384 HydrophobicContact CB-CG 4.05Å; L379-L384 HydrophobicContact CD1-CD2 3.88Å; L379-L384 HydrophobicContact CD1-CG 4.37Å; L379-L404 WeakPolarHBondContact CA-O 3.49Å; L379-L404 WeakPolarHBondContact CD2-O 3.36Å; L379-F405 HydrophobicContact CD2-CB 4.24Å
380	T	95.6	Very high	94.3	Very high	33 Å²	33	59.5 Å²	59.5	20%	0.202	30%	0.301	C	S	.	.			trans	-75	164.4	164.6	58.6	0	0	0	0	109.8	H382 G383 L384 P403 L404 C406	T380-H382 PolarHBondContact O-N 2.74Å; T380-G383 CarbonylContact O-C 3.56Å; T380-G383 WeakPolarHBondContact O-CA 3.36Å; T380-G383 PolarHBondContact O-N 3.14Å; T380-G383 PolarHBondContact OG1-N 2.84Å; T380-G383 VanDerWaalsContact OG1-N 3.08Å; T380-L384 PolarHBondContact O-N 3.19Å; T380-P403 WeakPolarHBondContact CG2-O 3.4Å; T380-P403 PolarHBondContact OG1-O 3.18Å; T380-L404 PolarHBondContact N-O 3.25Å; T380-L404 PolarHBondContact OG1-O 2.85Å; T380-C406 HydrophobicContact CG2-CB 4.04Å
381	D	92.4	Very high	93.8	Very high	136 Å²	136	59.4 Å²	59.4	73%	0.727	30%	0.297	S	S	*	.	H	α-helix	trans	-60.4	-38.3	177.8	-52.3	-44.4	0	0	0	111.5	L384 E385	D381-L384 PolarHBondContact O-N 3.18Å; D381-E385 PolarHBondContact O-N 2.93Å; D381-E385 VanDerWaalsContact O-N 3.07Å
382	H	93.3	Very high	93.3	Very high	79 Å²	79	60.2 Å²	60.2	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-41.6	169.4	-177.2	-77.6	0	0	0	112.3	T380 E385 E386 P402 L404	T380-H382 PolarHBondContact O-N 2.74Å; H382-E385 PolarHBondContact O-N 2.93Å; H382-E386 IonicContact CE1-OE2 3.71Å; H382-E386 PolarHBondContact CE1-OE2 3.5Å; H382-E386 VanDerWaalsContact CE1-OE2 3.22Å; H382-E386 IonicContact ND1-OE2 3.31Å; H382-E386 PolarHBondContact O-N 2.9Å; H382-P402 WeakPolarHBondContact NE2-CG 3.47Å; H382-L404 VanDerWaalsContact ND1-CD2 3.26Å; H382-L404 WeakPolarHBondContact ND1-CD2 3.32Å
383	G	94	Very high	92.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-37.4	174.4	0	0	0	0	0	113.3	T380 I387 L404	T380-G383 CarbonylContact O-C 3.56Å; T380-G383 WeakPolarHBondContact O-CA 3.36Å; T380-G383 PolarHBondContact O-N 3.14Å; T380-G383 PolarHBondContact OG1-N 2.84Å; T380-G383 VanDerWaalsContact OG1-N 3.08Å; G383-I387 WeakPolarHBondContact O-CB 3.27Å; G383-I387 WeakPolarHBondContact O-CG1 3.47Å; G383-I387 PolarHBondContact O-N 3.34Å; G383-L404 WeakPolarHBondContact CA-O 3.46Å
384	L	92.4	Very high	91.6	Very high	30 Å²	30	60 Å²	60	16%	0.157	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-43.4	172.1	-73	167.7	0	0	0	111.1	Q356 M357 L379 T380 D381 S388	Q356-L384 HydrophobicContact CB-CD2 4.13Å; Q356-L384 HydrophobicContact CG-CD1 4.4Å; Q356-L384 HydrophobicContact CG-CD2 4.12Å; M357-L384 HydrophobicContact CG-CD2 4.2Å; M357-L384 HydrophobicContact SD-CD2 4.09Å; L379-L384 HydrophobicContact CB-CD2 4.26Å; L379-L384 HydrophobicContact CB-CG 4.05Å; L379-L384 HydrophobicContact CD1-CD2 3.88Å; L379-L384 HydrophobicContact CD1-CG 4.37Å; T380-L384 PolarHBondContact O-N 3.19Å; D381-L384 PolarHBondContact O-N 3.18Å; L384-S388 WeakPolarHBondContact O-CB 3.3Å; L384-S388 PolarHBondContact O-N 2.74Å; L384-S388 PolarHBondContact O-OG 3.49Å
385	E	91.2	Very high	90.8	Very high	142 Å²	142	62.9 Å²	62.9	66%	0.664	32%	0.321	S	S	*	.	H	α-helix	trans	-66	-50.2	178.1	-168.6	173.5	-173.1	0	0	112.5	D381 H382 S389	D381-E385 PolarHBondContact O-N 2.93Å; D381-E385 VanDerWaalsContact O-N 3.07Å; H382-E385 PolarHBondContact O-N 2.93Å; E385-S389 VanDerWaalsContact O-CB 3.27Å; E385-S389 WeakPolarHBondContact O-CB 3.29Å; E385-S389 PolarHBondContact O-N 2.97Å; E385-S389 VanDerWaalsContact O-N 3.14Å; E385-S389 PolarHBondContact O-OG 3.37Å
386	E	93.2	Very high	90.4	Very high	54 Å²	54	63.3 Å²	63.3	25%	0.252	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-45.1	-179.7	-174.7	171.1	154.5	0	0	112.1	H382 S389 C390 H398 L404	H382-E386 IonicContact CE1-OE2 3.71Å; H382-E386 PolarHBondContact CE1-OE2 3.5Å; H382-E386 VanDerWaalsContact CE1-OE2 3.22Å; H382-E386 IonicContact ND1-OE2 3.31Å; H382-E386 PolarHBondContact O-N 2.9Å; E386-S389 PolarHBondContact O-OG 2.81Å; E386-C390 WeakPolarHBondContact O-CB 3.07Å; E386-C390 PolarHBondContact O-N 2.8Å; E386-H398 IonicContact OE1-ND1 3.44Å; E386-L404 HydrophobicContact CB-CD2 4.36Å; E386-L404 HydrophobicContact CG-CD1 4.38Å; E386-L404 VanDerWaalsContact OE2-CD2 3.32Å; E386-L404 WeakPolarHBondContact OE2-CD2 3.42Å
387	I	93.4	Very high	90	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-74.2	-40.9	-177.7	-58.5	-63.3	0	0	0	111.5	L349 H350 C353 G383 S389 C390 H398 L404	L349-I387 HydrophobicContact CB-CD1 3.82Å; L349-I387 HydrophobicContact CB-CG1 4.11Å; L349-I387 HydrophobicContact CD1-CD1 4.11Å; H350-I387 HydrophobicContact CB-CG2 4.4Å; C353-I387 HydrophobicContact CB-CB 4.27Å; C353-I387 HydrophobicContact CB-CG2 3.59Å; G383-I387 WeakPolarHBondContact O-CB 3.27Å; G383-I387 WeakPolarHBondContact O-CG1 3.47Å; G383-I387 PolarHBondContact O-N 3.34Å; I387-S389 VanDerWaalsContact C-N 3.25Å; I387-S389 PolarHBondContact O-N 3.29Å; I387-C390 PolarHBondContact O-N 2.99Å; I387-H398 WeakPolarHBondContact CD1-CE1 3.22Å; I387-H398 WeakPolarHBondContact CD1-ND1 3.41Å; I387-L404 HydrophobicContact CD1-CD1 4.07Å; I387-L404 HydrophobicContact CG1-CD1 4.48Å
388	S	89.1	Confident	89.7	Confident	29 Å²	29	67.5 Å²	67.5	20%	0.203	35%	0.351	C	S	.	.	H	α-helix	trans	-71.7	-18	178.9	73	0	0	0	0	113.8	N28 L384 R391	N28-S388 PolarHBondContact ND2-O 3.03Å; L384-S388 WeakPolarHBondContact O-CB 3.3Å; L384-S388 PolarHBondContact O-N 2.74Å; L384-S388 PolarHBondContact O-OG 3.49Å; S388-R391 PolarHBondContact O-NH1 2.85Å; S388-R391 PolarHBondContact O-NH2 3.03Å
389	S	88.1	Confident	89.3	Confident	76 Å²	76	69 Å²	69	53%	0.531	37%	0.365	S	S	.	.	H	α-helix	trans	-95.5	-18.7	172.4	64.3	0	0	0	0	114.1	E385 E386 I387 R391	E385-S389 VanDerWaalsContact O-CB 3.27Å; E385-S389 WeakPolarHBondContact O-CB 3.29Å; E385-S389 PolarHBondContact O-N 2.97Å; E385-S389 VanDerWaalsContact O-N 3.14Å; E385-S389 PolarHBondContact O-OG 3.37Å; E386-S389 PolarHBondContact O-OG 2.81Å; I387-S389 VanDerWaalsContact C-N 3.25Å; I387-S389 PolarHBondContact O-N 3.29Å; S389-R391 PolarHBondContact O-NH1 2.87Å; S389-R391 VanDerWaalsContact O-NH1 3.09Å
390	C	89.3	Confident	88.9	Confident	22 Å²	22	77.2 Å²	77.2	15%	0.149	40%	0.401	C	S	.	.			trans	-65.8	140.1	174.6	-175.2	0	0	0	0	112.6	E386 I387 H396	E386-C390 WeakPolarHBondContact O-CB 3.07Å; E386-C390 PolarHBondContact O-N 2.8Å; I387-C390 PolarHBondContact O-N 2.99Å; C390-H396 PolarHBondContact SG-NE2 2.73Å; C390-H396 VanDerWaalsContact SG-NE2 3.38Å
391	R	84.9	Confident	88.6	Confident	129 Å²	129	82 Å²	82	49%	0.487	43%	0.425	S	S	.	.			trans	-125.4	11.8	-179.6	-63.8	-64.7	175.4	-81.2	5.1	114.4	D30 S388 S389	D30-R391 VanDerWaalsContact CG-NE 3.35Å; D30-R391 IonicContact OD1-NE 2.79Å; D30-R391 IonicContact OD2-CZ 3.85Å; D30-R391 IonicContact OD2-NE 3.24Å; D30-R391 PolarHBondContact OD2-NE 2.68Å; D30-R391 IonicContact OD2-NH2 3.46Å; D30-R391 PolarHBondContact OD2-NH2 3.26Å; S388-R391 PolarHBondContact O-NH1 2.85Å; S388-R391 PolarHBondContact O-NH2 3.03Å; S389-R391 PolarHBondContact O-NH1 2.87Å; S389-R391 VanDerWaalsContact O-NH1 3.09Å
392	Q	85.9	Confident	88.6	Confident	114 Å²	114	78.8 Å²	78.8	53%	0.533	41%	0.412	S	S	.	.			trans	-72.8	149.2	175.7	-63.2	-177.4	78.4	0	0	110.9	H396	Q392-H396 HydrophobicContact CB-CB 4.22Å; Q392-H396 PolarHBondContact O-CE1 2.96Å
393	K	78.4	Confident	88.7	Confident	202 Å²	202	78.6 Å²	78.6	88%	0.878	42%	0.417	S	S	*	.			trans	-122.1	146.1	-178.1	-67	-171.6	178.1	-175	0	111.2
394	G	75.8	Confident	88.8	Confident	57 Å²	57	78.8 Å²	78.8	59%	0.588	42%	0.418	S	S	*	.	S	Bend	trans	72.3	-169.8	-169.7	0	0	0	0	0	111.7	H396	G394-H396 PolarHBondContact O-N 2.96Å; G394-H396 PolarHBondContact O-ND1 2.9Å
395	F	80.2	Confident	89	Confident	117 Å²	117	80.1 Å²	80.1	51%	0.513	42%	0.423	S	S	.	.	S	Bend	trans	-66.6	124.7	178.9	-70.9	-90.3	0	0	0	111.6	D309 V347	D309-F395 HydrophobicContact CB-CE1 4.49Å; D309-F395 HydrophobicContact CB-CZ 4.29Å; D309-F395 VanDerWaalsContact O-CZ 3.3Å; D309-F395 WeakPolarHBondContact O-CZ 3.06Å; D309-F395 WeakPolarHBondContact OD2-CZ 3.34Å; V347-F395 HydrophobicContact CG2-CD1 3.76Å; V347-F395 HydrophobicContact CG2-CE1 3.46Å; V347-F395 VanDerWaalsContact CG2-CE1 3.46Å; V347-F395 HydrophobicContact CG2-CE2 4.35Å; V347-F395 HydrophobicContact CG2-CG 4.33Å; V347-F395 HydrophobicContact CG2-CZ 3.8Å
396	H	89.8	Confident	89.3	Confident	17 Å²	17	75.5 Å²	75.5	8%	0.079	41%	0.406	C	S	.	.			trans	-142	151.4	173.7	52.7	-80	0	0	0	109.4	S346 H350 C390 Q392 G394 H398	S346-H396 WeakPolarHBondContact CB-O 3.37Å; S346-H396 PolarHBondContact OG-O 3.16Å; H350-H396 AromaticContact CD2-CE1 3.66Å; H350-H396 AromaticContact CD2-NE2 3.68Å; H350-H396 AromaticContact NE2-CE1 3.29Å; H350-H396 PolarHBondContact NE2-CE1 3.18Å; H350-H396 VanDerWaalsContact NE2-CE1 3.29Å; H350-H396 AromaticContact NE2-NE2 3.05Å; H350-H396 PolarHBondContact NE2-NE2 3.17Å; C390-H396 PolarHBondContact SG-NE2 2.73Å; C390-H396 VanDerWaalsContact SG-NE2 3.38Å; Q392-H396 HydrophobicContact CB-CB 4.22Å; Q392-H396 PolarHBondContact O-CE1 2.96Å; G394-H396 PolarHBondContact O-N 2.96Å; G394-H396 PolarHBondContact O-ND1 2.9Å; H396-H398 AromaticContact CD2-CD2 3.78Å; H396-H398 AromaticContact CD2-CE1 3.8Å; H396-H398 AromaticContact CD2-NE2 3.13Å; H396-H398 PolarHBondContact CD2-NE2 2.73Å; H396-H398 AromaticContact CE1-NE2 3.95Å; H396-H398 AromaticContact NE2-CD2 3.91Å; H396-H398 AromaticContact NE2-CE1 3.53Å; H396-H398 AromaticContact NE2-NE2 2.88Å; H396-H398 PolarHBondContact NE2-NE2 3.15Å
397	P	89.3	Confident	89.5	Confident	115 Å²	115	77.1 Å²	77.1	75%	0.747	42%	0.423	S	S	*	.			trans	-75.5	152.1	174	31.7	-34.2	0	0	0	111.3
398	H	91.9	Very high	89.6	Confident	35 Å²	35	77.8 Å²	77.8	16%	0.162	43%	0.428	C	S	.	.			trans	-121.6	167.7	167.8	-75.9	-88.9	0	0	0	109.7	S346 H350 E386 I387 H396 L404	S346-H398 PolarHBondContact OG-CD2 2.68Å; S346-H398 VanDerWaalsContact OG-CD2 3.25Å; S346-H398 PolarHBondContact OG-NE2 3.24Å; H350-H398 AromaticContact CD2-NE2 3.89Å; H350-H398 AromaticContact NE2-CE1 3.9Å; H350-H398 AromaticContact NE2-NE2 3.62Å; E386-H398 IonicContact OE1-ND1 3.44Å; I387-H398 WeakPolarHBondContact CD1-CE1 3.22Å; I387-H398 WeakPolarHBondContact CD1-ND1 3.41Å; H396-H398 AromaticContact CD2-CD2 3.78Å; H396-H398 AromaticContact CD2-CE1 3.8Å; H396-H398 AromaticContact CD2-NE2 3.13Å; H396-H398 PolarHBondContact CD2-NE2 2.73Å; H396-H398 AromaticContact CE1-NE2 3.95Å; H396-H398 AromaticContact NE2-CD2 3.91Å; H396-H398 AromaticContact NE2-CE1 3.53Å; H396-H398 AromaticContact NE2-NE2 2.88Å; H396-H398 PolarHBondContact NE2-NE2 3.15Å; H398-L404 HydrophobicContact CB-CD1 3.73Å
399	S	90.4	Very high	89.9	Confident	57 Å²	57	78.9 Å²	78.9	40%	0.399	44%	0.436	S	S	.	.			trans	-64.8	151.5	169	-162.4	0	0	0	0	110.9	D401	S399-D401 PolarHBondContact OG-N 2.84Å; S399-D401 PolarHBondContact OG-O 3.41Å
400	K	87.4	Confident	90.2	Very high	175 Å²	175	75.3 Å²	75.3	76%	0.761	41%	0.41	S	S	*	.			trans	-104.7	-13.9	167.9	-64.6	-171.7	177.6	-173.6	0	112.4	P402 P403	K400-P402 CarbonylContact C-O 3.49Å; K400-P402 CarbonylContact O-C 3.26Å; K400-P403 WeakPolarHBondContact O-CA 3.48Å
401	D	89.8	Confident	90.6	Very high	133 Å²	133	75.4 Å²	75.4	71%	0.711	41%	0.41	S	S	*	.	S	Bend	trans	-129.6	115.9	-177	-65.6	-71.1	0	0	0	108.6	S399	S399-D401 PolarHBondContact OG-N 2.84Å; S399-D401 PolarHBondContact OG-O 3.41Å
402	P	92.4	Very high	91.1	Very high	69 Å²	69	72.4 Å²	72.4	45%	0.448	41%	0.406	S	S	.	.	S	Bend	cis	-67.1	157	-7.3	32.3	-36.4	0	0	0	112.4	H382 K400 L404	H382-P402 WeakPolarHBondContact NE2-CG 3.47Å; K400-P402 CarbonylContact C-O 3.49Å; K400-P402 CarbonylContact O-C 3.26Å; P402-L404 PolarHBondContact O-N 3.28Å
403	P	94.8	Very high	91.7	Very high	75 Å²	75	70.6 Å²	70.6	49%	0.487	40%	0.403	S	S	.	.			trans	-62.9	127.4	-179.3	-26.3	36	0	0	0	114.1	T380 K400 F405	T380-P403 WeakPolarHBondContact CG2-O 3.4Å; T380-P403 PolarHBondContact OG1-O 3.18Å; K400-P403 WeakPolarHBondContact O-CA 3.48Å; P403-F405 VanDerWaalsContact C-N 3.3Å; P403-F405 PolarHBondContact O-N 3.01Å
404	L	96.7	Very high	92.5	Very high	3 Å²	3	63 Å²	63	2%	0.016	37%	0.373	C	S	.	.	S	Bend	trans	-78.6	-13.2	178.2	-51.5	-171.1	0	0	0	113.6	L349 L379 T380 H382 G383 E386 I387 H398 P402	L349-L404 HydrophobicContact CD1-CB 4.44Å; L349-L404 HydrophobicContact CD1-CD1 4.24Å; L349-L404 HydrophobicContact CD2-CB 4.44Å; L379-L404 WeakPolarHBondContact CA-O 3.49Å; L379-L404 WeakPolarHBondContact CD2-O 3.36Å; T380-L404 PolarHBondContact N-O 3.25Å; T380-L404 PolarHBondContact OG1-O 2.85Å; H382-L404 VanDerWaalsContact ND1-CD2 3.26Å; H382-L404 WeakPolarHBondContact ND1-CD2 3.32Å; G383-L404 WeakPolarHBondContact CA-O 3.46Å; E386-L404 HydrophobicContact CB-CD2 4.36Å; E386-L404 HydrophobicContact CG-CD1 4.38Å; E386-L404 VanDerWaalsContact OE2-CD2 3.32Å; E386-L404 WeakPolarHBondContact OE2-CD2 3.42Å; I387-L404 HydrophobicContact CD1-CD1 4.07Å; I387-L404 HydrophobicContact CG1-CD1 4.48Å; H398-L404 HydrophobicContact CB-CD1 3.73Å; P402-L404 PolarHBondContact O-N 3.28Å
405	F	97.5	Very high	93.4	Very high	58 Å²	58	65.8 Å²	65.8	25%	0.254	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.8	176.5	75.4	-82.1	0	0	0	111.5	F343 L344 L349 F377 K378 L379 P403	F343-F405 HydrophobicContact CB-CE2 4.47Å; F343-F405 HydrophobicContact CB-CZ 3.91Å; L344-F405 HydrophobicContact CB-CD1 4.14Å; L344-F405 HydrophobicContact CB-CD2 4.27Å; L344-F405 HydrophobicContact CB-CE1 4.36Å; L344-F405 HydrophobicContact CB-CE2 4.49Å; L344-F405 HydrophobicContact CB-CG 4.1Å; L344-F405 HydrophobicContact CD1-CB 3.82Å; L344-F405 HydrophobicContact CD1-CD2 4.2Å; L344-F405 HydrophobicContact CD1-CG 4.04Å; L344-F405 HydrophobicContact CG-CB 4.46Å; L344-F405 HydrophobicContact CG-CD2 4Å; L344-F405 HydrophobicContact CG-CE2 4.43Å; L344-F405 HydrophobicContact CG-CG 4.13Å; L349-F405 HydrophobicContact CD2-CB 3.97Å; L349-F405 HydrophobicContact CD2-CD1 3.94Å; L349-F405 HydrophobicContact CD2-CG 4.27Å; F377-F405 HydrophobicContact CB-CD2 4.17Å; F377-F405 AromaticContact CD1-CD2 3.81Å; F377-F405 HydrophobicContact CD1-CD2 3.81Å; F377-F405 AromaticContact CD1-CE2 3.9Å; F377-F405 HydrophobicContact CD1-CE2 3.9Å; F377-F405 HydrophobicContact CD2-CD2 4.48Å; F377-F405 HydrophobicContact CD2-CE2 4.41Å; F377-F405 HydrophobicContact CE1-CD2 4.32Å; F377-F405 AromaticContact CE1-CE2 3.93Å; F377-F405 HydrophobicContact CE1-CE2 3.93Å; F377-F405 HydrophobicContact CE2-CE2 4.43Å; F377-F405 AromaticContact CG-CD2 3.91Å; F377-F405 HydrophobicContact CG-CD2 3.91Å; F377-F405 HydrophobicContact CG-CE2 4.15Å; F377-F405 HydrophobicContact CZ-CE2 4.2Å; K378-F405 CarbonylContact O-C 3.57Å; K378-F405 VanDerWaalsContact O-CA 3.27Å; K378-F405 WeakPolarHBondContact O-CA 3.3Å; K378-F405 WeakPolarHBondContact O-CB 2.96Å; L379-F405 HydrophobicContact CD2-CB 4.24Å; P403-F405 VanDerWaalsContact C-N 3.3Å; P403-F405 PolarHBondContact O-N 3.01Å
406	C	96.7	Very high	93.9	Very high	46 Å²	46	67.1 Å²	67.1	31%	0.311	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	167.9	177.8	64.8	0	0	0	0	111	F377 K378 T380	F377-C406 WeakPolarHBondContact CA-O 3.3Å; K378-C406 PolarHBondContact N-O 2.81Å; K378-C406 PolarHBondContact O-N 3.37Å; T380-C406 HydrophobicContact CG2-CB 4.04Å
407	S	97.3	Very high	93.8	Very high	88 Å²	88	70.3 Å²	70.3	62%	0.615	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	143	172.7	-56.2	0	0	0	0	111.3	F376 S409	F376-S407 CarbonylContact O-C 3.57Å; F376-S407 VanDerWaalsContact O-CA 3.29Å; F376-S407 WeakPolarHBondContact O-CA 3.22Å; S407-S409 PolarHBondContact O-N 3.38Å
408	C	96.3	Very high	94.1	Very high	17 Å²	17	65.3 Å²	65.3	12%	0.115	37%	0.373	C	S	.	.			trans	-70.8	119.9	178.8	-62.9	0	0	0	0	112.1	I363 F376 F377 V411	I363-C408 HydrophobicContact CG2-CB 4.49Å; F376-C408 PolarHBondContact O-N 2.88Å; F377-C408 PolarHBondContact O-SG 3.05Å; C408-V411 HydrophobicContact CB-CB 4.02Å; C408-V411 HydrophobicContact CB-CG2 3.46Å; C408-V411 VanDerWaalsContact CB-CG2 3.46Å
409	S	94.9	Very high	94.4	Very high	52 Å²	52	67 Å²	67	36%	0.364	39%	0.386	S	S	.	.	S	Bend	trans	-75.5	-28.9	168.4	45.8	0	0	0	0	113	D252 S407 V411	D252-S409 WeakPolarHBondContact OD2-CB 3.49Å; D252-S409 PolarHBondContact OD2-OG 3.48Å; S407-S409 PolarHBondContact O-N 3.38Å; S409-V411 VanDerWaalsContact C-N 3.27Å; S409-V411 PolarHBondContact O-N 3.29Å
410	H	95.3	Very high	94.7	Very high	0 Å²	0	66 Å²	66	0%	0	38%	0.376	C	S	.	.	S	Bend	trans	-86.7	18.5	-172.9	67.4	-69.3	0	0	0	114.4	I251 L254 R255 H256 V257 E361	I251-H410 HydrophobicContact CB-CB 4.13Å; I251-H410 HydrophobicContact CG2-CB 4.44Å; L254-H410 HydrophobicContact CB-CB 3.99Å; L254-H410 HydrophobicContact CD1-CB 4.45Å; R255-H410 PolarHBondContact O-CD2 3.09Å; H256-H410 PolarHBondContact CD2-O 3.02Å; H256-H410 VanDerWaalsContact CD2-O 3.29Å; V257-H410 PolarHBondContact N-O 3.32Å; E361-H410 PolarHBondContact O-NE2 2.74Å
411	V	96.7	Very high	95.2	Very high	25 Å²	25	59.7 Å²	59.7	15%	0.152	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.5	-171.8	169	0	0	0	0	111.9	V257 V259 I363 F376 C408 S409	V257-V411 HydrophobicContact CB-CG2 4.14Å; V257-V411 HydrophobicContact CG1-CG2 4.46Å; V257-V411 WeakPolarHBondContact O-CA 3.27Å; V259-V411 HydrophobicContact CG2-CG1 3.67Å; I363-V411 HydrophobicContact CD1-CG2 4.3Å; I363-V411 HydrophobicContact CG2-CG2 3.83Å; F376-V411 HydrophobicContact CD1-CG1 4.26Å; F376-V411 HydrophobicContact CG-CG1 4.5Å; C408-V411 HydrophobicContact CB-CB 4.02Å; C408-V411 HydrophobicContact CB-CG2 3.46Å; C408-V411 VanDerWaalsContact CB-CG2 3.46Å; S409-V411 VanDerWaalsContact C-N 3.27Å; S409-V411 PolarHBondContact O-N 3.29Å
412	T	96.3	Very high	95.5	Very high	66 Å²	66	56.6 Å²	56.6	41%	0.405	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.5	168.2	-61.6	0	0	0	0	111.3	H256 V257 V258 V259 V414	H256-T412 PolarHBondContact CE1-OG1 3.18Å; H256-T412 WeakPolarHBondContact NE2-CB 3.26Å; H256-T412 PolarHBondContact NE2-N 2.75Å; H256-T412 PolarHBondContact NE2-OG1 3.13Å; V257-T412 PolarHBondContact O-N 2.57Å; V258-T412 WeakPolarHBondContact CA-O 3.22Å; V259-T412 PolarHBondContact N-O 3.27Å; T412-V414 HydrophobicContact CG2-CG1 4Å
413	V	96.9	Very high	95.6	Very high	75 Å²	75	54.6 Å²	54.6	46%	0.455	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.1	172	-175.7	0	0	0	0	109.8	V259 G261 F376	V259-V413 HydrophobicContact CB-CG2 4.45Å; V259-V413 WeakPolarHBondContact O-CA 3.15Å; G261-V413 VanDerWaalsContact CA-CG1 3.49Å; F376-V413 HydrophobicContact CE1-CG2 4.35Å; F376-V413 HydrophobicContact CE2-CG2 4.16Å; F376-V413 HydrophobicContact CZ-CG2 3.8Å
414	V	96.1	Very high	95.4	Very high	42 Å²	42	57.2 Å²	57.2	26%	0.255	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.9	180	-58.4	0	0	0	0	111.1	V258 V259 P260 G261 T412 R416	V258-V414 HydrophobicContact CG1-CB 4.41Å; V258-V414 HydrophobicContact CG1-CG1 4.09Å; V258-V414 HydrophobicContact CG1-CG2 3.4Å; V258-V414 VanDerWaalsContact CG1-CG2 3.4Å; V259-V414 PolarHBondContact O-N 2.72Å; P260-V414 CarbonylContact C-O 3.46Å; P260-V414 WeakPolarHBondContact CA-O 3.38Å; G261-V414 PolarHBondContact N-O 3.09Å; T412-V414 HydrophobicContact CG2-CG1 4Å; V414-R416 HydrophobicContact CG2-CB 4.35Å; V414-R416 HydrophobicContact CG2-CG 3.94Å; V414-R416 PolarHBondContact O-N 2.85Å
415	D	93.9	Very high	95.3	Very high	116 Å²	116	59.9 Å²	59.9	62%	0.62	34%	0.336	S	S	*	.	S	Bend	trans	-74.1	95.4	177.3	-164.5	11.7	0	0	0	111.1	R262	R262-D415 IonicContact CZ-OD1 2.73Å; R262-D415 IonicContact CZ-OD2 3.22Å; R262-D415 IonicContact NE-OD1 3.58Å; R262-D415 PolarHBondContact NE-OD1 2.96Å; R262-D415 IonicContact NE-OD2 3.79Å; R262-D415 IonicContact NH2-OD1 3.1Å; R262-D415 PolarHBondContact NH2-OD1 2.95Å; R262-D415 IonicContact NH2-OD2 3.64Å; R262-D415 PolarHBondContact NH2-OD2 2.75Å
416	R	90.6	Very high	95.2	Very high	145 Å²	145	60 Å²	60	55%	0.547	34%	0.34	S	S	.	.			trans	-141.7	158.4	176.3	-71.9	-175.7	175.3	170.6	-0.6	108.9	P260 R262 V414	P260-R416 HydrophobicContact CB-CB 4.36Å; P260-R416 WeakPolarHBondContact CB-O 3.46Å; R262-R416 WeakPolarHBondContact CG-O 3.41Å; V414-R416 HydrophobicContact CG2-CB 4.35Å; V414-R416 HydrophobicContact CG2-CG 3.94Å; V414-R416 PolarHBondContact O-N 2.85Å
417	A	88.8	Confident	95.1	Very high	85 Å²	85	60.8 Å²	60.8	70%	0.702	34%	0.342	S	S	*	.			trans	-71.9	155.5	169.4	0	0	0	0	0	111.3
418	V	96	Very high	95	Very high	10 Å²	10	59.2 Å²	59.2	6%	0.061	33%	0.326	C	S	.	.			trans	-123.7	146.2	165.2	73.8	0	0	0	0	108.9	P260 L263 I296 T297 V299 I420	P260-V418 HydrophobicContact CB-CB 4.05Å; P260-V418 HydrophobicContact CG-CB 4.05Å; P260-V418 HydrophobicContact CG-CG2 4.22Å; L263-V418 HydrophobicContact CB-CB 4.43Å; L263-V418 HydrophobicContact CB-CG1 3.97Å; L263-V418 HydrophobicContact CD1-CG2 4.15Å; L263-V418 HydrophobicContact CG-CG1 4.09Å; L263-V418 HydrophobicContact CG-CG2 4.39Å; I296-V418 HydrophobicContact CG2-CG2 4.5Å; T297-V418 WeakPolarHBondContact O-CG2 3.3Å; V299-V418 HydrophobicContact CG2-CG2 4.16Å; V418-I420 HydrophobicContact CG1-CD1 4.22Å; V418-I420 HydrophobicContact CG1-CG1 3.89Å
419	T	97.6	Very high	94.9	Very high	70 Å²	70	61.8 Å²	61.8	43%	0.429	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.8	167.4	-54.6	0	0	0	0	108.5	T297 H298 V299	T297-T419 PolarHBondContact O-N 3.44Å; H298-T419 CarbonylContact C-O 3.6Å; H298-T419 VanDerWaalsContact CA-O 3.24Å; H298-T419 WeakPolarHBondContact CA-O 3.38Å; H298-T419 VanDerWaalsContact CD2-CB 3.43Å; H298-T419 WeakPolarHBondContact CD2-CB 3.25Å; V299-T419 PolarHBondContact N-O 2.94Å
420	I	97.6	Very high	94.9	Very high	37 Å²	37	62.5 Å²	62.5	19%	0.19	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.4	168.8	-50.6	-169.9	0	0	0	109	Q266 F267 L270 V299 I301 V418	Q266-I420 HydrophobicContact CB-CD1 3.64Å; F267-I420 HydrophobicContact CB-CD1 4.39Å; L270-I420 HydrophobicContact CD1-CB 3.99Å; L270-I420 HydrophobicContact CD1-CD1 4.12Å; L270-I420 HydrophobicContact CD1-CG2 3.53Å; V299-I420 HydrophobicContact CB-CG1 4.14Å; V299-I420 HydrophobicContact CB-CG2 4.18Å; V299-I420 HydrophobicContact CG2-CG1 4.44Å; V299-I420 WeakPolarHBondContact O-CA 3.25Å; I301-I420 HydrophobicContact CD1-CG2 3.74Å; I301-I420 HydrophobicContact CG1-CG2 3.9Å; V418-I420 HydrophobicContact CG1-CD1 4.22Å; V418-I420 HydrophobicContact CG1-CG1 3.89Å
421	T	96.7	Very high	94.8	Very high	42 Å²	42	66.9 Å²	66.9	26%	0.258	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.3	175.8	-51.3	0	0	0	0	108.1	V299 L300 I301 L423	V299-T421 PolarHBondContact O-N 3.42Å; L300-T421 HydrophobicContact CD2-CG2 4.49Å; I301-T421 PolarHBondContact N-O 3.06Å; T421-L423 HydrophobicContact CG2-CD2 3.84Å; T421-L423 HydrophobicContact CG2-CG 4.33Å
422	D	96.1	Very high	94.7	Very high	67 Å²	67	70.2 Å²	70.2	36%	0.358	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.4	177.9	-157.3	-14.7	0	0	0	109.9	R424	D422-R424 WeakPolarHBondContact OD1-CG 3.17Å; D422-R424 IonicContact OD1-CZ 2.87Å; D422-R424 PolarHBondContact OD1-N 3.49Å; D422-R424 IonicContact OD1-NE 2.74Å; D422-R424 PolarHBondContact OD1-NE 3.17Å; D422-R424 IonicContact OD1-NH2 2.73Å; D422-R424 IonicContact OD2-CZ 3.29Å; D422-R424 IonicContact OD2-NE 3.03Å; D422-R424 PolarHBondContact OD2-NE 3.11Å; D422-R424 IonicContact OD2-NH2 2.77Å; D422-R424 PolarHBondContact OD2-NH2 2.88Å
423	L	94	Very high	94.6	Very high	27 Å²	27	70.5 Å²	70.5	14%	0.141	38%	0.376	C	S	.	.			trans	-123.8	6.6	-173.3	-53.9	170.5	0	0	0	112.4	I301 K303 L319 I322 T421	I301-L423 WeakPolarHBondContact O-CA 3.4Å; I301-L423 VanDerWaalsContact O-CB 3.32Å; I301-L423 WeakPolarHBondContact O-CB 3.43Å; I301-L423 PolarHBondContact O-N 3.28Å; K303-L423 WeakPolarHBondContact CE-O 3.35Å; K303-L423 WeakPolarHBondContact CG-O 3.4Å; K303-L423 PolarHBondContact NZ-O 3.18Å; L319-L423 HydrophobicContact CD2-CD1 4.15Å; I322-L423 HydrophobicContact CD1-CD1 3.63Å; I322-L423 HydrophobicContact CD1-CD2 3.74Å; I322-L423 HydrophobicContact CD1-CG 4.34Å; T421-L423 HydrophobicContact CG2-CD2 3.84Å; T421-L423 HydrophobicContact CG2-CG 4.33Å
424	R	90.6	Very high	94.4	Very high	130 Å²	130	70.1 Å²	70.1	49%	0.491	37%	0.368	S	S	.	.			trans	-63.2	0	-174.1	-70.7	179.7	-70	178.1	2.5	113.6	L270 I301 P302 D422	L270-R424 PolarHBondContact O-NH1 2.85Å; L270-R424 PolarHBondContact O-NH2 2.95Å; I301-R424 HydrophobicContact CG2-CG 3.93Å; P302-R424 VanDerWaalsContact O-CG 3.31Å; P302-R424 WeakPolarHBondContact O-CG 3.27Å; D422-R424 WeakPolarHBondContact OD1-CG 3.17Å; D422-R424 IonicContact OD1-CZ 2.87Å; D422-R424 PolarHBondContact OD1-N 3.49Å; D422-R424 IonicContact OD1-NE 2.74Å; D422-R424 PolarHBondContact OD1-NE 3.17Å; D422-R424 IonicContact OD1-NH2 2.73Å; D422-R424 IonicContact OD2-CZ 3.29Å; D422-R424 IonicContact OD2-NE 3.03Å; D422-R424 PolarHBondContact OD2-NE 3.11Å; D422-R424 IonicContact OD2-NH2 2.77Å; D422-R424 PolarHBondContact OD2-NH2 2.88Å

Retrieved 424 of 424 residues in 726.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).