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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 (G7NAC8), UniProt , Accession A0A096N3X5, Species PAPAN (Papio anubis, Olive baboon), Gene STAMBP, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 75.8 ms (Link to these results)

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