A0A5K4F7Y7_SCHMA Loading...

DUF805 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7Y7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 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	50.6	Low	78	Confident	163 Å²	163	87 Å²	87	80%	0.803	47%	0.471	S	S	*	.				0	-39.4	0	-73.4	-178.5	178.1	0	0	115.2	S3 V230	M1-S3 PolarHBondContact O-N 2.79Å; M1-V230 HydrophobicContact CE-CB 4.16Å; M1-V230 HydrophobicContact CE-CG2 3.46Å; M1-V230 VanDerWaalsContact CE-CG2 3.46Å
2	R	61	Low	79	Confident	234 Å²	234	80.2 Å²	80.2	88%	0.883	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-38.8	-176.8	-73.9	-176.1	178.5	176.7	-0.3	115.2	R5 A6	R2-R5 PolarHBondContact O-N 3.26Å; R2-A6 PolarHBondContact O-N 3.13Å; R2-A6 VanDerWaalsContact O-N 3.12Å
3	S	67.4	Low	80	Confident	99 Å²	99	79.5 Å²	79.5	69%	0.692	44%	0.435	S	S	*	.	H	α-helix	trans	-64.2	-45.8	-177.1	174	0	0	0	0	113.2	M1 R5 A6 A7	M1-S3 PolarHBondContact O-N 2.79Å; S3-R5 PolarHBondContact O-N 3.03Å; S3-A6 PolarHBondContact O-N 2.97Å; S3-A7 WeakPolarHBondContact O-CB 3.16Å; S3-A7 PolarHBondContact O-N 3.19Å
4	G	77	Confident	81.1	Confident	28 Å²	28	76.6 Å²	76.6	29%	0.289	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-38.1	179.3	0	0	0	0	0	113.5	W8	G4-W8 WeakPolarHBondContact O-CB 3.39Å; G4-W8 PolarHBondContact O-N 3.35Å
5	R	78.6	Confident	82	Confident	154 Å²	154	71.5 Å²	71.5	58%	0.581	40%	0.398	S	S	*	.	H	α-helix	trans	-67.4	-42.5	175.4	-171.2	179.6	-175.1	-176.2	4.3	111.9	R2 S3 W8 I9	R2-R5 PolarHBondContact O-N 3.26Å; S3-R5 PolarHBondContact O-N 3.03Å; R5-W8 PolarHBondContact O-N 3.09Å; R5-I9 HydrophobicContact CG-CD1 4.23Å; R5-I9 WeakPolarHBondContact O-CG1 3.41Å; R5-I9 PolarHBondContact O-N 3.26Å
6	A	84.2	Confident	82.8	Confident	64 Å²	64	69 Å²	69	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-44.6	176.9	0	0	0	0	0	111.5	R2 S3 W8 I9 G10	R2-A6 PolarHBondContact O-N 3.13Å; R2-A6 VanDerWaalsContact O-N 3.12Å; S3-A6 PolarHBondContact O-N 2.97Å; A6-W8 VanDerWaalsContact C-N 3.34Å; A6-W8 PolarHBondContact O-N 2.87Å; A6-I9 PolarHBondContact O-N 3.24Å; A6-G10 PolarHBondContact O-N 3.44Å
7	A	86.2	Confident	83.6	Confident	40 Å²	40	70.8 Å²	70.8	33%	0.331	39%	0.388	S	S	.	.	H	α-helix	trans	-60.1	-43.2	175.1	0	0	0	0	0	111.8	S3 I9 G10 L11 I225	S3-A7 WeakPolarHBondContact O-CB 3.16Å; S3-A7 PolarHBondContact O-N 3.19Å; A7-I9 PolarHBondContact O-N 3.24Å; A7-G10 PolarHBondContact O-N 2.87Å; A7-L11 WeakPolarHBondContact O-CB 3.22Å; A7-L11 VanDerWaalsContact O-CG 3.3Å; A7-L11 WeakPolarHBondContact O-CG 3.36Å; A7-L11 PolarHBondContact O-N 2.88Å; A7-I225 HydrophobicContact CB-CG2 4.34Å
8	W	85.6	Confident	84.4	Confident	23 Å²	23	68.1 Å²	68.1	9%	0.087	38%	0.375	C	S	.	.	H	α-helix	trans	-60.1	-46.6	176.6	-175.2	82.4	0	0	0	113	G4 R5 A6 G10 N12 I124 A139 A222 Q226	G4-W8 WeakPolarHBondContact O-CB 3.39Å; G4-W8 PolarHBondContact O-N 3.35Å; R5-W8 PolarHBondContact O-N 3.09Å; A6-W8 VanDerWaalsContact C-N 3.34Å; A6-W8 PolarHBondContact O-N 2.87Å; W8-G10 VanDerWaalsContact C-N 3.35Å; W8-N12 PolarHBondContact NE1-ND2 3.35Å; W8-N12 PolarHBondContact O-N 3.12Å; W8-N12 VanDerWaalsContact O-N 3.13Å; W8-N12 PolarHBondContact O-ND2 3.35Å; W8-I124 HydrophobicContact CH2-CG1 4.49Å; W8-I124 HydrophobicContact CH2-CG2 3.81Å; W8-I124 HydrophobicContact CZ3-CG2 4.45Å; W8-A139 HydrophobicContact CH2-CB 4.4Å; W8-A139 HydrophobicContact CZ2-CB 4.05Å; W8-A222 PolarHBondContact NE1-O 3.09Å; W8-Q226 VanDerWaalsContact CE2-OE1 3.22Å; W8-Q226 HydrophobicContact CG-CB 4.33Å
9	I	85.6	Confident	85	Confident	77 Å²	77	64.5 Å²	64.5	40%	0.395	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-42.8	177.1	-65.6	169.6	0	0	0	110.4	R5 A6 A7 T13	R5-I9 HydrophobicContact CG-CD1 4.23Å; R5-I9 WeakPolarHBondContact O-CG1 3.41Å; R5-I9 PolarHBondContact O-N 3.26Å; A6-I9 PolarHBondContact O-N 3.24Å; A7-I9 PolarHBondContact O-N 3.24Å; I9-T13 VanDerWaalsContact O-CB 3.3Å; I9-T13 WeakPolarHBondContact O-CB 3.43Å; I9-T13 PolarHBondContact O-N 2.62Å; I9-T13 PolarHBondContact O-OG1 2.82Å
10	G	89.7	Confident	85.6	Confident	40 Å²	40	66.6 Å²	66.6	41%	0.412	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-46.3	179.1	0	0	0	0	0	112.4	A6 A7 W8 T13 A14	A6-G10 PolarHBondContact O-N 3.44Å; A7-G10 PolarHBondContact O-N 2.87Å; W8-G10 VanDerWaalsContact C-N 3.35Å; G10-T13 PolarHBondContact O-N 3.44Å; G10-A14 WeakPolarHBondContact O-CB 3.19Å; G10-A14 PolarHBondContact O-N 3.2Å
11	L	91.9	Very high	86.1	Confident	35 Å²	35	66.7 Å²	66.7	18%	0.183	37%	0.368	C	S	.	.	H	α-helix	trans	-66.8	-44.1	-179.9	-71.7	168.1	0	0	0	112.8	A7 A14 S15 L218 I221 A222 I225	A7-L11 WeakPolarHBondContact O-CB 3.22Å; A7-L11 VanDerWaalsContact O-CG 3.3Å; A7-L11 WeakPolarHBondContact O-CG 3.36Å; A7-L11 PolarHBondContact O-N 2.88Å; L11-A14 PolarHBondContact O-N 3.38Å; L11-S15 WeakPolarHBondContact O-CB 3.29Å; L11-S15 PolarHBondContact O-N 2.91Å; L11-L218 HydrophobicContact CD2-CD2 3.56Å; L11-I221 HydrophobicContact CD1-CB 4.46Å; L11-I221 HydrophobicContact CD1-CG2 3.79Å; L11-A222 HydrophobicContact CB-CB 3.85Å; L11-A222 HydrophobicContact CD1-CB 4.32Å; L11-I225 HydrophobicContact CD1-CD1 3.53Å
12	N	90.5	Very high	88.4	Confident	5 Å²	5	58.9 Å²	58.9	3%	0.027	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-44.1	175.5	-78.3	-82.1	0	0	0	111.1	W8 A14 S15 Y16 A222	W8-N12 PolarHBondContact NE1-ND2 3.35Å; W8-N12 PolarHBondContact O-N 3.12Å; W8-N12 VanDerWaalsContact O-N 3.13Å; W8-N12 PolarHBondContact O-ND2 3.35Å; N12-A14 PolarHBondContact O-N 2.99Å; N12-S15 WeakPolarHBondContact O-CB 3.49Å; N12-S15 PolarHBondContact O-N 3Å; N12-Y16 HydrophobicContact CB-CE2 4.32Å; N12-Y16 WeakPolarHBondContact O-CD2 3.46Å; N12-Y16 PolarHBondContact O-N 2.94Å; N12-A222 WeakPolarHBondContact ND2-CB 3.48Å
13	T	91.7	Very high	90.1	Very high	72 Å²	72	48.6 Å²	48.6	44%	0.442	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-46.5	177	-55.1	0	0	0	0	111.3	I9 G10 S15 Y16 I17	I9-T13 VanDerWaalsContact O-CB 3.3Å; I9-T13 WeakPolarHBondContact O-CB 3.43Å; I9-T13 PolarHBondContact O-N 2.62Å; I9-T13 PolarHBondContact O-OG1 2.82Å; G10-T13 PolarHBondContact O-N 3.44Å; T13-S15 VanDerWaalsContact C-N 3.3Å; T13-S15 PolarHBondContact O-N 3.34Å; T13-Y16 PolarHBondContact O-N 3.26Å; T13-I17 HydrophobicContact CG2-CD1 4.13Å; T13-I17 WeakPolarHBondContact O-CG1 3.26Å; T13-I17 PolarHBondContact O-N 3.27Å
14	A	95	Very high	91.5	Very high	38 Å²	38	46 Å²	46	31%	0.314	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-40.2	176.8	0	0	0	0	0	111.8	G10 L11 N12 I17 C18 L218	G10-A14 WeakPolarHBondContact O-CB 3.19Å; G10-A14 PolarHBondContact O-N 3.2Å; L11-A14 PolarHBondContact O-N 3.38Å; N12-A14 PolarHBondContact O-N 2.99Å; A14-I17 PolarHBondContact O-N 3.04Å; A14-C18 PolarHBondContact O-N 3.49Å; A14-C18 PolarHBondContact O-SG 2.79Å; A14-C18 VanDerWaalsContact O-SG 3.41Å; A14-L218 HydrophobicContact CB-CD1 3.98Å
15	S	95.4	Very high	92.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-51.2	174.5	-168.1	0	0	0	0	112.4	L11 N12 T13 I17 C18 E19 G215 Q219	L11-S15 WeakPolarHBondContact O-CB 3.29Å; L11-S15 PolarHBondContact O-N 2.91Å; N12-S15 WeakPolarHBondContact O-CB 3.49Å; N12-S15 PolarHBondContact O-N 3Å; T13-S15 VanDerWaalsContact C-N 3.3Å; T13-S15 PolarHBondContact O-N 3.34Å; S15-I17 VanDerWaalsContact C-N 3.25Å; S15-I17 PolarHBondContact O-N 3.39Å; S15-C18 WeakPolarHBondContact O-CA 3.39Å; S15-C18 WeakPolarHBondContact O-CB 3.43Å; S15-C18 PolarHBondContact O-N 2.98Å; S15-E19 VanDerWaalsContact O-CG 3.29Å; S15-E19 WeakPolarHBondContact O-CG 3.4Å; S15-E19 PolarHBondContact O-N 2.92Å; S15-E19 PolarHBondContact OG-OE1 3.33Å; S15-G215 VanDerWaalsContact OG-CA 3.27Å; S15-G215 WeakPolarHBondContact OG-CA 3.36Å; S15-G215 PolarHBondContact OG-O 3.25Å; S15-Q219 WeakPolarHBondContact OG-CG 3.39Å
16	Y	94.9	Very high	93.3	Very high	32 Å²	32	39.4 Å²	39.4	13%	0.125	25%	0.25	C	C	.	.	H	α-helix	trans	-62.5	-33.4	179.2	-71.1	-56.8	0	0	0	112.5	N12 T13 E19 L20 I117 T120 C121 I124	N12-Y16 HydrophobicContact CB-CE2 4.32Å; N12-Y16 WeakPolarHBondContact O-CD2 3.46Å; N12-Y16 PolarHBondContact O-N 2.94Å; T13-Y16 PolarHBondContact O-N 3.26Å; Y16-E19 VanDerWaalsContact CD1-OE2 3.27Å; Y16-E19 WeakPolarHBondContact CD1-OE2 3.41Å; Y16-E19 PolarHBondContact O-N 3.22Å; Y16-L20 WeakPolarHBondContact O-CB 3.46Å; Y16-L20 VanDerWaalsContact O-CG 3.28Å; Y16-L20 WeakPolarHBondContact O-CG 3.37Å; Y16-L20 PolarHBondContact O-N 3.18Å; Y16-I117 HydrophobicContact CD1-CG2 4.24Å; Y16-I117 HydrophobicContact CE1-CG2 4.42Å; Y16-T120 WeakPolarHBondContact CE1-OG1 3.45Å; Y16-T120 WeakPolarHBondContact OH-CB 3.22Å; Y16-T120 PolarHBondContact OH-OG1 3.02Å; Y16-C121 WeakPolarHBondContact CE1-SG 3.17Å; Y16-C121 PolarHBondContact OH-N 3.41Å; Y16-I124 HydrophobicContact CE2-CD1 4.29Å; Y16-I124 WeakPolarHBondContact OH-CD1 3.36Å
17	I	96.4	Very high	93.9	Very high	99 Å²	99	40.4 Å²	40.4	51%	0.508	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-48.8	171.6	-67.7	165.8	0	0	0	110.2	T13 A14 S15 E19 L20 V21	T13-I17 HydrophobicContact CG2-CD1 4.13Å; T13-I17 WeakPolarHBondContact O-CG1 3.26Å; T13-I17 PolarHBondContact O-N 3.27Å; A14-I17 PolarHBondContact O-N 3.04Å; S15-I17 VanDerWaalsContact C-N 3.25Å; S15-I17 PolarHBondContact O-N 3.39Å; I17-E19 VanDerWaalsContact C-N 3.29Å; I17-E19 PolarHBondContact O-N 3.49Å; I17-L20 PolarHBondContact O-N 3.08Å; I17-V21 HydrophobicContact CG2-CG2 4.4Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.35Å; I17-V21 PolarHBondContact O-N 3.26Å
18	C	97	Very high	94.3	Very high	22 Å²	22	40.3 Å²	40.3	15%	0.149	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-42	176.3	-68.9	0	0	0	0	112.2	A14 S15 V21 F22 L211	A14-C18 PolarHBondContact O-N 3.49Å; A14-C18 PolarHBondContact O-SG 2.79Å; A14-C18 VanDerWaalsContact O-SG 3.41Å; S15-C18 WeakPolarHBondContact O-CA 3.39Å; S15-C18 WeakPolarHBondContact O-CB 3.43Å; S15-C18 PolarHBondContact O-N 2.98Å; C18-V21 PolarHBondContact O-N 3.12Å; C18-F22 WeakPolarHBondContact O-CB 3.34Å; C18-F22 PolarHBondContact O-N 3.34Å; C18-L211 HydrophobicContact CB-CD2 4.24Å
19	E	95.9	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-41.4	179.7	-68.8	159.2	-138.5	0	0	112.4	S15 Y16 I17 F22 L23 I117 L150 Q219	S15-E19 VanDerWaalsContact O-CG 3.29Å; S15-E19 WeakPolarHBondContact O-CG 3.4Å; S15-E19 PolarHBondContact O-N 2.92Å; S15-E19 PolarHBondContact OG-OE1 3.33Å; Y16-E19 VanDerWaalsContact CD1-OE2 3.27Å; Y16-E19 WeakPolarHBondContact CD1-OE2 3.41Å; Y16-E19 PolarHBondContact O-N 3.22Å; I17-E19 VanDerWaalsContact C-N 3.29Å; I17-E19 PolarHBondContact O-N 3.49Å; E19-F22 WeakPolarHBondContact O-CB 3.49Å; E19-F22 PolarHBondContact O-N 3.23Å; E19-L23 WeakPolarHBondContact O-CG 3.31Å; E19-L23 PolarHBondContact O-N 3.23Å; E19-I117 HydrophobicContact CB-CD1 3.86Å; E19-I117 HydrophobicContact CB-CG1 4.03Å; E19-I117 WeakPolarHBondContact OE2-CG1 3.28Å; E19-L150 VanDerWaalsContact CD-CD1 3.45Å; E19-L150 HydrophobicContact CG-CD1 4Å; E19-L150 HydrophobicContact CG-CD2 4.34Å; E19-L150 VanDerWaalsContact OE1-CD1 3.25Å; E19-L150 WeakPolarHBondContact OE1-CD1 3.34Å; E19-Q219 PolarHBondContact OE1-NE2 3.35Å
20	L	96.8	Very high	95.1	Very high	107 Å²	107	36.1 Å²	36.1	56%	0.56	23%	0.225	S	C	*	.	H	α-helix	trans	-67.2	-40.9	175.3	-71.8	173.9	0	0	0	112.1	Y16 I17 F22 L23 G24	Y16-L20 WeakPolarHBondContact O-CB 3.46Å; Y16-L20 VanDerWaalsContact O-CG 3.28Å; Y16-L20 WeakPolarHBondContact O-CG 3.37Å; Y16-L20 PolarHBondContact O-N 3.18Å; I17-L20 PolarHBondContact O-N 3.08Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-L23 PolarHBondContact O-N 3.48Å; L20-G24 PolarHBondContact O-N 3.33Å
21	V	97.7	Very high	95.2	Very high	68 Å²	68	39.9 Å²	39.9	41%	0.412	23%	0.234	S	C	.	.	H	α-helix	trans	-65.6	-40.6	175	178.7	0	0	0	0	110.3	I17 C18 L23 G24 L25 L211	I17-V21 HydrophobicContact CG2-CG2 4.4Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.35Å; I17-V21 PolarHBondContact O-N 3.26Å; C18-V21 PolarHBondContact O-N 3.12Å; V21-L23 PolarHBondContact O-N 2.95Å; V21-G24 PolarHBondContact O-N 2.62Å; V21-L25 HydrophobicContact CG1-CD1 4.08Å; V21-L25 HydrophobicContact CG1-CG 4.3Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 3.08Å; V21-L211 HydrophobicContact CB-CD1 4.16Å; V21-L211 HydrophobicContact CG1-CD1 3.56Å
22	F	97.8	Very high	95.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.6	-50.5	171.5	162.3	-96.6	0	0	0	111.4	C18 E19 L20 G24 L25 A26 T109 V113 Y157 A208 L211 I212	C18-F22 WeakPolarHBondContact O-CB 3.34Å; C18-F22 PolarHBondContact O-N 3.34Å; E19-F22 WeakPolarHBondContact O-CB 3.49Å; E19-F22 PolarHBondContact O-N 3.23Å; L20-F22 VanDerWaalsContact C-N 3.34Å; F22-G24 VanDerWaalsContact C-N 3.32Å; F22-G24 PolarHBondContact O-N 2.89Å; F22-L25 PolarHBondContact O-N 3.26Å; F22-A26 HydrophobicContact CD2-CB 4.48Å; F22-A26 HydrophobicContact CE1-CB 4.43Å; F22-A26 HydrophobicContact CE2-CB 4.1Å; F22-A26 HydrophobicContact CZ-CB 4.07Å; F22-A26 VanDerWaalsContact O-CB 3.22Å; F22-A26 WeakPolarHBondContact O-CB 3.32Å; F22-A26 PolarHBondContact O-N 2.9Å; F22-T109 HydrophobicContact CZ-CG2 3.91Å; F22-V113 HydrophobicContact CD1-CB 4.37Å; F22-V113 HydrophobicContact CD1-CG1 3.83Å; F22-V113 HydrophobicContact CD1-CG2 4.38Å; F22-V113 HydrophobicContact CE1-CB 3.92Å; F22-V113 HydrophobicContact CE1-CG1 3.9Å; F22-V113 HydrophobicContact CE1-CG2 3.72Å; F22-V113 HydrophobicContact CZ-CG2 4.4Å; F22-Y157 HydrophobicContact CE2-CD1 4.44Å; F22-Y157 HydrophobicContact CE2-CD2 4.23Å; F22-Y157 HydrophobicContact CE2-CE2 4.33Å; F22-Y157 HydrophobicContact CE2-CG 4.29Å; F22-Y157 HydrophobicContact CZ-CD2 4.21Å; F22-Y157 HydrophobicContact CZ-CE2 4.47Å; F22-A208 HydrophobicContact CD2-CB 3.77Å; F22-A208 WeakPolarHBondContact CD2-O 3.1Å; F22-A208 HydrophobicContact CE2-CB 4.17Å; F22-L211 HydrophobicContact CB-CB 4.32Å; F22-I212 HydrophobicContact CD1-CD1 4.23Å; F22-I212 HydrophobicContact CD2-CB 3.86Å; F22-I212 HydrophobicContact CD2-CG2 4.19Å; F22-I212 HydrophobicContact CE2-CB 4.14Å; F22-I212 HydrophobicContact CE2-CG2 4.15Å; F22-I212 HydrophobicContact CG-CB 4.07Å; F22-I212 HydrophobicContact CG-CD1 4.46Å
23	L	97.4	Very high	95.2	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-45.6	179.2	-73.6	177.1	0	0	0	111.4	E19 L20 V21 A26 I27 I110 V113 F114 I117	E19-L23 WeakPolarHBondContact O-CG 3.31Å; E19-L23 PolarHBondContact O-N 3.23Å; L20-L23 PolarHBondContact O-N 3.48Å; V21-L23 PolarHBondContact O-N 2.95Å; L23-A26 PolarHBondContact O-N 3.5Å; L23-I27 WeakPolarHBondContact O-CB 3.33Å; L23-I27 WeakPolarHBondContact O-CD1 3.37Å; L23-I27 WeakPolarHBondContact O-CG1 3.3Å; L23-I27 PolarHBondContact O-N 2.91Å; L23-I110 HydrophobicContact CD2-CG2 3.95Å; L23-V113 HydrophobicContact CD2-CB 4.3Å; L23-V113 HydrophobicContact CD2-CG1 4.11Å; L23-V113 HydrophobicContact CG-CG1 4.36Å; L23-F114 HydrophobicContact CD1-CB 4.47Å; L23-F114 HydrophobicContact CD1-CD2 4.27Å; L23-I117 HydrophobicContact CD1-CD1 3.56Å; L23-I117 HydrophobicContact CG-CD1 4.3Å
24	G	96.8	Very high	95.3	Very high	44 Å²	44	39.6 Å²	39.6	45%	0.454	23%	0.233	S	C	.	.	H	α-helix	trans	-59.3	-48.6	177.2	0	0	0	0	0	112.8	L20 V21 F22 A28	L20-G24 PolarHBondContact O-N 3.33Å; V21-G24 PolarHBondContact O-N 2.62Å; F22-G24 VanDerWaalsContact C-N 3.32Å; F22-G24 PolarHBondContact O-N 2.89Å; G24-A28 WeakPolarHBondContact O-CB 3.3Å; G24-A28 PolarHBondContact O-N 2.89Å
25	L	96.9	Very high	95.2	Very high	44 Å²	44	37.9 Å²	37.9	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-44.5	178.9	-68.5	178.3	0	0	0	112.2	V21 F22 I27 A28 V29 A208 L211	V21-L25 HydrophobicContact CG1-CD1 4.08Å; V21-L25 HydrophobicContact CG1-CG 4.3Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 3.08Å; F22-L25 PolarHBondContact O-N 3.26Å; L25-I27 VanDerWaalsContact C-N 3.32Å; L25-I27 PolarHBondContact O-N 3.4Å; L25-A28 PolarHBondContact O-N 3.47Å; L25-V29 VanDerWaalsContact O-CB 3.26Å; L25-V29 WeakPolarHBondContact O-CB 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.42Å; L25-V29 PolarHBondContact O-N 3.24Å; L25-A208 HydrophobicContact CB-CB 3.89Å; L25-A208 HydrophobicContact CD1-CB 4.42Å; L25-L211 HydrophobicContact CD1-CD1 3.68Å
26	A	96.2	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-38.5	-179.2	0	0	0	0	0	111.7	F22 L23 Q30 I110 Y157	F22-A26 HydrophobicContact CD2-CB 4.48Å; F22-A26 HydrophobicContact CE1-CB 4.43Å; F22-A26 HydrophobicContact CE2-CB 4.1Å; F22-A26 HydrophobicContact CZ-CB 4.07Å; F22-A26 VanDerWaalsContact O-CB 3.22Å; F22-A26 WeakPolarHBondContact O-CB 3.32Å; F22-A26 PolarHBondContact O-N 2.9Å; L23-A26 PolarHBondContact O-N 3.5Å; A26-Q30 WeakPolarHBondContact O-CB 3.49Å; A26-Q30 WeakPolarHBondContact O-CG 3.45Å; A26-Q30 PolarHBondContact O-N 2.81Å; A26-I110 HydrophobicContact CB-CD1 3.88Å; A26-I110 HydrophobicContact CB-CG1 3.76Å; A26-Y157 HydrophobicContact CB-CE2 4.25Å
27	I	95.8	Very high	94.9	Very high	86 Å²	86	37.9 Å²	37.9	44%	0.441	22%	0.222	S	C	.	.	H	α-helix	trans	-67	-45.2	173.5	-67.7	166.3	0	0	0	110.9	L23 L25 V29 Q30 I31 I110	L23-I27 WeakPolarHBondContact O-CB 3.33Å; L23-I27 WeakPolarHBondContact O-CD1 3.37Å; L23-I27 WeakPolarHBondContact O-CG1 3.3Å; L23-I27 PolarHBondContact O-N 2.91Å; L25-I27 VanDerWaalsContact C-N 3.32Å; L25-I27 PolarHBondContact O-N 3.4Å; I27-V29 VanDerWaalsContact C-N 3.33Å; I27-V29 PolarHBondContact O-N 2.93Å; I27-Q30 WeakPolarHBondContact O-CB 3.3Å; I27-Q30 PolarHBondContact O-N 2.9Å; I27-Q30 VanDerWaalsContact O-N 3.16Å; I27-I31 PolarHBondContact O-N 3.49Å; I27-I110 HydrophobicContact CG1-CD1 4.34Å; I27-I110 HydrophobicContact CG1-CG2 4.18Å
28	A	95.4	Very high	94.5	Very high	38 Å²	38	33.2 Å²	33.2	31%	0.314	20%	0.198	S	C	.	.	H	α-helix	trans	-60.2	-44.1	178.2	0	0	0	0	0	111.9	G24 L25 Q30 I31 S32	G24-A28 WeakPolarHBondContact O-CB 3.3Å; G24-A28 PolarHBondContact O-N 2.89Å; L25-A28 PolarHBondContact O-N 3.47Å; A28-Q30 VanDerWaalsContact C-N 3.3Å; A28-Q30 PolarHBondContact O-N 3.48Å; A28-I31 WeakPolarHBondContact O-CG1 3.47Å; A28-I31 PolarHBondContact O-N 3.38Å; A28-S32 WeakPolarHBondContact O-CB 3.28Å; A28-S32 PolarHBondContact O-N 3.21Å
29	V	95.2	Very high	94.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-37	175.9	162.8	0	0	0	0	111.6	L25 I27 W35 M201 M204 A205	L25-V29 VanDerWaalsContact O-CB 3.26Å; L25-V29 WeakPolarHBondContact O-CB 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.42Å; L25-V29 PolarHBondContact O-N 3.24Å; I27-V29 VanDerWaalsContact C-N 3.33Å; I27-V29 PolarHBondContact O-N 2.93Å; V29-W35 HydrophobicContact CG1-CH2 3.95Å; V29-W35 HydrophobicContact CG1-CZ2 3.08Å; V29-W35 PolarHBondContact O-NE1 2.9Å; V29-M201 HydrophobicContact CG2-CB 4.43Å; V29-M201 HydrophobicContact CG2-SD 4.27Å; V29-M204 HydrophobicContact CG2-CB 3.75Å; V29-A205 HydrophobicContact CG1-CB 3.86Å; V29-A205 HydrophobicContact CG2-CB 4.18Å
30	Q	93.3	Very high	93.6	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-41.4	176.7	-85.3	-68.8	-42.4	0	0	113.1	A26 I27 A28 L58 W59 I110	A26-Q30 WeakPolarHBondContact O-CB 3.49Å; A26-Q30 WeakPolarHBondContact O-CG 3.45Å; A26-Q30 PolarHBondContact O-N 2.81Å; I27-Q30 WeakPolarHBondContact O-CB 3.3Å; I27-Q30 PolarHBondContact O-N 2.9Å; I27-Q30 VanDerWaalsContact O-N 3.16Å; A28-Q30 VanDerWaalsContact C-N 3.3Å; A28-Q30 PolarHBondContact O-N 3.48Å; Q30-L58 VanDerWaalsContact NE2-CD1 3.32Å; Q30-W59 PolarHBondContact O-NE1 2.9Å; Q30-I110 HydrophobicContact CG-CD1 3.95Å
31	I	92	Very high	93	Very high	119 Å²	119	34.4 Å²	34.4	61%	0.61	21%	0.208	S	C	*	.	H	α-helix	trans	-88.3	-20.4	-174.2	64	176.7	0	0	0	113.8	I27 A28	I27-I31 PolarHBondContact O-N 3.49Å; A28-I31 WeakPolarHBondContact O-CG1 3.47Å; A28-I31 PolarHBondContact O-N 3.38Å
32	S	92.4	Very high	91.8	Very high	22 Å²	22	39.8 Å²	39.8	15%	0.154	22%	0.223	C	C	.	.			trans	-76.3	134.8	-171.2	177.8	0	0	0	0	112.4	A28 D34 G57 M201	A28-S32 WeakPolarHBondContact O-CB 3.28Å; A28-S32 PolarHBondContact O-N 3.21Å; S32-D34 PolarHBondContact O-N 3.34Å; S32-D34 PolarHBondContact OG-N 3.5Å; S32-G57 WeakPolarHBondContact O-CA 3.38Å; S32-M201 VanDerWaalsContact CB-CG 3.49Å; S32-M201 WeakPolarHBondContact CB-SD 3.36Å; S32-M201 WeakPolarHBondContact OG-CG 3.41Å; S32-M201 PolarHBondContact OG-SD 3.14Å
33	P	89.8	Confident	90.4	Very high	36 Å²	36	41.7 Å²	41.7	23%	0.234	23%	0.232	C	C	.	.	S	Bend	trans	-77.9	9.3	173.8	34.6	-35.1	0	0	0	113.5	S55 R56 G57 K60 C62	P33-S55 CarbonylContact O-C 3.45Å; P33-S55 PolarHBondContact O-OG 3.4Å; P33-R56 CarbonylContact O-C 3.54Å; P33-R56 VanDerWaalsContact O-CA 3.27Å; P33-R56 WeakPolarHBondContact O-CA 3.46Å; P33-R56 PolarHBondContact O-N 3.46Å; P33-R56 VanDerWaalsContact O-O 3.08Å; P33-G57 PolarHBondContact O-N 3.13Å; P33-K60 HydrophobicContact CB-CG 4.44Å; P33-C62 HydrophobicContact CB-CB 4.46Å
34	D	92.6	Very high	89.1	Confident	47 Å²	47	42.3 Å²	42.3	25%	0.251	24%	0.243	S	C	.	.			trans	-109.6	50.2	-169	-170.2	39	0	0	0	114.5	S32 V37 S55 G199 G200 M201	S32-D34 PolarHBondContact O-N 3.34Å; S32-D34 PolarHBondContact OG-N 3.5Å; D34-V37 VanDerWaalsContact OD1-CG2 3.25Å; D34-V37 WeakPolarHBondContact OD1-CG2 3.41Å; D34-S55 WeakPolarHBondContact CA-OG 3.49Å; D34-S55 PolarHBondContact OD1-OG 3.4Å; D34-G199 CarbonylContact O-C 3.13Å; D34-G199 VanDerWaalsContact O-C 3.22Å; D34-G199 VanDerWaalsContact O-CA 3.26Å; D34-G199 WeakPolarHBondContact O-CA 3.25Å; D34-G200 PolarHBondContact O-N 2.94Å; D34-G200 WeakPolarHBondContact OD2-CA 3.21Å; D34-G200 PolarHBondContact OD2-N 3.03Å; D34-M201 HydrophobicContact CB-CG 4.09Å; D34-M201 VanDerWaalsContact O-CB 3.23Å; D34-M201 WeakPolarHBondContact O-CB 2.94Å; D34-M201 WeakPolarHBondContact O-CG 3.38Å; D34-M201 PolarHBondContact O-N 3.39Å
35	W	94	Very high	87.9	Confident	3 Å²	3	45 Å²	45	1%	0.011	25%	0.251	C	S	.	.	S	Bend	trans	-87.4	-36.5	172.1	-81.4	73.4	0	0	0	112.5	V29 R56 L58 L161 Y164 G199 M201 I202 A205	V29-W35 HydrophobicContact CG1-CH2 3.95Å; V29-W35 HydrophobicContact CG1-CZ2 3.08Å; V29-W35 PolarHBondContact O-NE1 2.9Å; W35-R56 CarbonylContact C-O 3.57Å; W35-R56 WeakPolarHBondContact CA-O 3.3Å; W35-R56 VanDerWaalsContact CB-O 3.26Å; W35-R56 WeakPolarHBondContact CB-O 3.47Å; W35-R56 PolarHBondContact N-O 3.02Å; W35-L58 HydrophobicContact CD2-CD2 3.79Å; W35-L58 HydrophobicContact CD2-CG 4.1Å; W35-L58 HydrophobicContact CE3-CD2 4.17Å; W35-L58 HydrophobicContact CG-CD2 4.22Å; W35-L58 HydrophobicContact CG-CG 4.34Å; W35-L58 HydrophobicContact CH2-CD1 4.36Å; W35-L58 HydrophobicContact CH2-CD2 4.2Å; W35-L58 HydrophobicContact CZ2-CD1 3.5Å; W35-L58 HydrophobicContact CZ2-CD2 3.8Å; W35-L58 HydrophobicContact CZ2-CG 3.76Å; W35-L58 HydrophobicContact CZ3-CD2 4.38Å; W35-L161 HydrophobicContact CH2-CD2 3.96Å; W35-L161 HydrophobicContact CZ3-CD2 4.29Å; W35-Y164 HydrophobicContact CB-CE2 4.3Å; W35-Y164 HydrophobicContact CD2-CE2 4.19Å; W35-Y164 HydrophobicContact CE3-CD1 4.1Å; W35-Y164 AromaticContact CE3-CD2 3.76Å; W35-Y164 HydrophobicContact CE3-CD2 3.76Å; W35-Y164 AromaticContact CE3-CE1 3.86Å; W35-Y164 HydrophobicContact CE3-CE1 3.86Å; W35-Y164 AromaticContact CE3-CE2 3.48Å; W35-Y164 HydrophobicContact CE3-CE2 3.48Å; W35-Y164 VanDerWaalsContact CE3-CE2 3.48Å; W35-Y164 HydrophobicContact CE3-CG 4.06Å; W35-Y164 AromaticContact CE3-CZ 3.54Å; W35-Y164 AromaticContact CZ3-CD1 3.95Å; W35-Y164 HydrophobicContact CZ3-CD1 3.95Å; W35-Y164 AromaticContact CZ3-CD2 3.86Å; W35-Y164 HydrophobicContact CZ3-CD2 3.86Å; W35-Y164 HydrophobicContact CZ3-CE1 4.17Å; W35-Y164 HydrophobicContact CZ3-CE2 4.07Å; W35-Y164 AromaticContact CZ3-CG 3.8Å; W35-Y164 HydrophobicContact CZ3-CG 3.8Å; W35-Y164 PolarHBondContact O-OH 3.42Å; W35-G199 PolarHBondContact O-N 2.82Å; W35-M201 HydrophobicContact CD2-CB 4.3Å; W35-M201 HydrophobicContact CG-CB 4.05Å; W35-I202 HydrophobicContact CE3-CG1 4.09Å; W35-I202 WeakPolarHBondContact O-CD1 3.4Å; W35-I202 WeakPolarHBondContact O-CG1 3.27Å; W35-A205 HydrophobicContact CH2-CB 3.95Å; W35-A205 HydrophobicContact CZ2-CB 4.41Å; W35-A205 HydrophobicContact CZ3-CB 4.47Å
36	A	91.7	Very high	86.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.7	179.9	0	0	0	0	0	109	Y38 S55 R56 Y196	A36-Y38 HydrophobicContact CB-CE2 4.21Å; A36-S55 CarbonylContact O-C 3.54Å; A36-R56 HydrophobicContact CB-CB 4.28Å; A36-R56 PolarHBondContact N-O 3.48Å; A36-R56 PolarHBondContact O-N 2.98Å; A36-Y196 HydrophobicContact CB-CE2 3.7Å
37	V	91.4	Very high	85.4	Confident	32 Å²	32	51.7 Å²	51.7	19%	0.194	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.8	175.2	-179.6	0	0	0	0	108.6	D34 S197	D34-V37 VanDerWaalsContact OD1-CG2 3.25Å; D34-V37 WeakPolarHBondContact OD1-CG2 3.41Å; V37-S197 WeakPolarHBondContact CB-OG 3.26Å; V37-S197 PolarHBondContact N-O 3.26Å; V37-S197 PolarHBondContact O-N 2.92Å
38	Y	89.7	Confident	84.3	Confident	1 Å²	1	49.9 Å²	49.9	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	105.8	175	-60	-72.8	0	0	0	107.2	A36 S53 R54 R56 W186 T194 V195 Y196	A36-Y38 HydrophobicContact CB-CE2 4.21Å; Y38-S53 CarbonylContact O-C 3.58Å; Y38-S53 WeakPolarHBondContact O-CA 3.34Å; Y38-S53 WeakPolarHBondContact O-CB 3.38Å; Y38-R54 PolarHBondContact N-O 2.87Å; Y38-R54 PolarHBondContact O-N 3.47Å; Y38-R56 HydrophobicContact CD2-CB 4.43Å; Y38-R56 HydrophobicContact CE2-CB 3.9Å; Y38-R56 PolarHBondContact OH-NE 2.96Å; Y38-R56 PolarHBondContact OH-NH1 2.92Å; Y38-R56 PolarHBondContact OH-NH2 2.84Å; Y38-W186 AromaticContact CD1-CH2 3.44Å; Y38-W186 HydrophobicContact CD1-CH2 3.44Å; Y38-W186 VanDerWaalsContact CD1-CH2 3.44Å; Y38-W186 AromaticContact CD1-CZ3 3.94Å; Y38-W186 HydrophobicContact CD1-CZ3 3.94Å; Y38-W186 HydrophobicContact CD2-CH2 4.33Å; Y38-W186 AromaticContact CE1-CH2 3.57Å; Y38-W186 HydrophobicContact CE1-CH2 3.57Å; Y38-W186 HydrophobicContact CE1-CZ3 4.21Å; Y38-W186 HydrophobicContact CE2-CH2 4.45Å; Y38-W186 AromaticContact CG-CH2 3.82Å; Y38-W186 HydrophobicContact CG-CH2 3.82Å; Y38-T194 HydrophobicContact CD1-CG2 4.24Å; Y38-V195 WeakPolarHBondContact CA-O 3.43Å; Y38-Y196 AromaticContact CD1-CD2 3.95Å; Y38-Y196 HydrophobicContact CD1-CD2 3.95Å; Y38-Y196 AromaticContact CE1-CD2 3.45Å; Y38-Y196 HydrophobicContact CE1-CD2 3.45Å; Y38-Y196 VanDerWaalsContact CE1-CD2 3.45Å; Y38-Y196 HydrophobicContact CE1-CE2 4.15Å; Y38-Y196 HydrophobicContact CE1-CG 4.38Å
39	D	88.6	Confident	83.4	Confident	86 Å²	86	50 Å²	50	46%	0.46	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.1	177.7	-161.8	8.2	0	0	0	109.9	S53 T194 V195	D39-S53 WeakPolarHBondContact CA-OG 3.34Å; D39-S53 WeakPolarHBondContact OD1-CB 3.41Å; D39-S53 PolarHBondContact OD1-OG 3.04Å; D39-T194 CarbonylContact O-C 3.53Å; D39-T194 WeakPolarHBondContact O-CA 3.13Å; D39-V195 PolarHBondContact N-O 2.73Å; D39-V195 PolarHBondContact O-N 2.9Å
40	V	85.4	Confident	82.5	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.9	-176.4	-170.5	0	0	0	0	109	I43 Q51 L52 S53 N193 T194	V40-I43 HydrophobicContact CG1-CD1 3.41Å; V40-I43 VanDerWaalsContact CG1-CD1 3.41Å; V40-I43 HydrophobicContact CG1-CG1 3.89Å; V40-Q51 WeakPolarHBondContact CG1-O 3.3Å; V40-L52 WeakPolarHBondContact CG2-O 3.27Å; V40-S53 PolarHBondContact N-OG 3.31Å; V40-N193 CarbonylContact C-O 3.22Å; V40-N193 WeakPolarHBondContact CA-O 3.08Å; V40-T194 HydrophobicContact CG2-CG2 3.99Å; V40-T194 WeakPolarHBondContact CG2-OG1 3.37Å
41	S	83.5	Confident	81.8	Confident	61 Å²	61	51.5 Å²	51.5	43%	0.427	28%	0.28	S	S	.	.			trans	-65	151.1	168.9	58.1	0	0	0	0	110.6	I43 N193	S41-I43 WeakPolarHBondContact O-CG1 3.33Å; S41-I43 PolarHBondContact O-N 3.26Å; S41-N193 PolarHBondContact N-O 3.15Å; S41-N193 WeakPolarHBondContact OG-CA 3.49Å; S41-N193 WeakPolarHBondContact OG-CB 3.11Å; S41-N193 PolarHBondContact OG-O 3.23Å; S41-N193 PolarHBondContact OG-OD1 3.33Å; S41-N193 VanDerWaalsContact OG-OD1 3.13Å
42	Y	72.3	Confident	81.4	Confident	182 Å²	182	46 Å²	46	71%	0.714	25%	0.251	S	S	*	.			trans	-50.2	120.9	-173.8	179.9	-100.9	0	0	0	113.6	G44	Y42-G44 VanDerWaalsContact CZ-CA 3.44Å
43	I	67.5	Low	81.2	Confident	39 Å²	39	45 Å²	45	20%	0.2	24%	0.244	C	C	.	.			trans	-102.8	3	-178.5	-53.6	-173.6	0	0	0	112.2	V40 S41 T45 Q51 T189 V190 N193	V40-I43 HydrophobicContact CG1-CD1 3.41Å; V40-I43 VanDerWaalsContact CG1-CD1 3.41Å; V40-I43 HydrophobicContact CG1-CG1 3.89Å; S41-I43 WeakPolarHBondContact O-CG1 3.33Å; S41-I43 PolarHBondContact O-N 3.26Å; I43-T45 PolarHBondContact O-N 2.98Å; I43-Q51 HydrophobicContact CD1-CB 4.39Å; I43-Q51 HydrophobicContact CD1-CG 4.22Å; I43-T189 HydrophobicContact CG2-CG2 4.05Å; I43-V190 HydrophobicContact CD1-CB 4.46Å; I43-V190 HydrophobicContact CD1-CG2 4.07Å; I43-N193 HydrophobicContact CD1-CB 3.82Å; I43-N193 HydrophobicContact CG1-CB 3.87Å
44	G	70.9	Confident	81.1	Confident	31 Å²	31	43.3 Å²	43.3	32%	0.32	23%	0.234	S	C	.	.	S	Bend	trans	87.8	-103.1	-173.5	0	0	0	0	0	111.6	Y42	Y42-G44 VanDerWaalsContact CZ-CA 3.44Å
45	T	72.2	Confident	81	Confident	101 Å²	101	41.7 Å²	41.7	62%	0.62	23%	0.226	S	C	*	.	S	Bend	trans	-87.7	122.4	-179.8	47.6	0	0	0	0	111.9	I43 Q51	I43-T45 PolarHBondContact O-N 2.98Å; T45-Q51 PolarHBondContact O-NE2 3.25Å; T45-Q51 PolarHBondContact O-OE1 3.48Å
46	V	68.8	Low	80.9	Confident	46 Å²	46	41.9 Å²	41.9	28%	0.279	23%	0.226	S	C	.	.			trans	-91.1	104.8	174.5	-178.4	0	0	0	0	109	Q51 L52	V46-Q51 HydrophobicContact CG1-CB 4.24Å; V46-L52 HydrophobicContact CG1-CD1 4.39Å; V46-L52 HydrophobicContact CG1-CD2 3.85Å; V46-L52 HydrophobicContact CG1-CG 3.94Å; V46-L52 HydrophobicContact CG2-CD2 4.29Å
47	N	71.3	Confident	80.9	Confident	137 Å²	137	42.1 Å²	42.1	73%	0.733	23%	0.229	S	C	*	.			trans	-106.2	-22.3	175.7	-66.3	-22.7	0	0	0	112.9
48	D	73.4	Confident	80.9	Confident	49 Å²	49	41.1 Å²	41.1	26%	0.262	22%	0.222	S	C	.	.	S	Bend	trans	-133.1	151.9	-177.2	-158.2	-4.6	0	0	0	111.4	N50 Q51 K180	D48-N50 PolarHBondContact O-N 2.91Å; D48-N50 VanDerWaalsContact O-N 3.09Å; D48-Q51 VanDerWaalsContact N-OE1 3.09Å; D48-Q51 WeakPolarHBondContact O-CB 3.04Å; D48-Q51 PolarHBondContact O-N 2.91Å; D48-K180 VanDerWaalsContact CG-NZ 3.32Å; D48-K180 IonicContact OD1-NZ 2.71Å; D48-K180 PolarHBondContact OD1-NZ 2.76Å; D48-K180 VanDerWaalsContact OD1-NZ 3.13Å; D48-K180 IonicContact OD2-NZ 3.17Å; D48-K180 PolarHBondContact OD2-NZ 3.05Å
49	Y	75.8	Confident	80.8	Confident	41 Å²	41	46.4 Å²	46.4	16%	0.161	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.5	179.3	83.1	-92.6	0	0	0	112.4	Q51 L52 K180 S181	Y49-Q51 PolarHBondContact O-N 3.39Å; Y49-L52 PolarHBondContact O-N 3.33Å; Y49-K180 HydrophobicContact CD1-CD 4.31Å; Y49-K180 HydrophobicContact CE1-CB 3.58Å; Y49-K180 HydrophobicContact CE1-CD 3.54Å; Y49-K180 HydrophobicContact CE1-CG 4.25Å; Y49-K180 WeakPolarHBondContact OH-CB 3.23Å; Y49-K180 PolarHBondContact OH-O 2.95Å; Y49-S181 PolarHBondContact OH-N 2.94Å; Y49-S181 VanDerWaalsContact OH-N 3.14Å
50	N	76.1	Confident	80.9	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.043	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-66.3	-19.9	175.4	-75.4	-28.1	0	0	0	114	D48 L52 R54 K180 W186 V190	D48-N50 PolarHBondContact O-N 2.91Å; D48-N50 VanDerWaalsContact O-N 3.09Å; N50-L52 VanDerWaalsContact C-N 3.3Å; N50-R54 PolarHBondContact O-NH2 3.44Å; N50-R54 PolarHBondContact OD1-NH1 3Å; N50-K180 PolarHBondContact ND2-O 2.71Å; N50-K180 PolarHBondContact OD1-O 2.71Å; N50-K180 VanDerWaalsContact OD1-O 3.08Å; N50-W186 PolarHBondContact OD1-NE1 2.9Å; N50-V190 HydrophobicContact CB-CG1 4.44Å; N50-V190 VanDerWaalsContact O-CG1 3.28Å; N50-V190 WeakPolarHBondContact O-CG1 3.29Å
51	Q	78.3	Confident	81.1	Confident	34 Å²	34	46.4 Å²	46.4	16%	0.159	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-88.4	6	178.7	-66.3	169.2	-45.6	0	0	113.2	V40 I43 T45 V46 D48 Y49 V190	V40-Q51 WeakPolarHBondContact CG1-O 3.3Å; I43-Q51 HydrophobicContact CD1-CB 4.39Å; I43-Q51 HydrophobicContact CD1-CG 4.22Å; T45-Q51 PolarHBondContact O-NE2 3.25Å; T45-Q51 PolarHBondContact O-OE1 3.48Å; V46-Q51 HydrophobicContact CG1-CB 4.24Å; D48-Q51 VanDerWaalsContact N-OE1 3.09Å; D48-Q51 WeakPolarHBondContact O-CB 3.04Å; D48-Q51 PolarHBondContact O-N 2.91Å; Y49-Q51 PolarHBondContact O-N 3.39Å; Q51-V190 HydrophobicContact CG-CG2 3.64Å
52	L	83.5	Confident	81.3	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	-109.4	146	178.8	-64.2	172.6	0	0	0	110.8	V40 V46 Y49 N50 R54 I63 Y72	V40-L52 WeakPolarHBondContact CG2-O 3.27Å; V46-L52 HydrophobicContact CG1-CD1 4.39Å; V46-L52 HydrophobicContact CG1-CD2 3.85Å; V46-L52 HydrophobicContact CG1-CG 3.94Å; V46-L52 HydrophobicContact CG2-CD2 4.29Å; Y49-L52 PolarHBondContact O-N 3.33Å; N50-L52 VanDerWaalsContact C-N 3.3Å; L52-R54 WeakPolarHBondContact O-CG 3.46Å; L52-R54 PolarHBondContact O-NE 2.93Å; L52-I63 HydrophobicContact CB-CG2 4.18Å; L52-I63 HydrophobicContact CD1-CD1 3.98Å; L52-I63 HydrophobicContact CD1-CG2 4.22Å; L52-Y72 HydrophobicContact CD1-CD2 4.25Å; L52-Y72 HydrophobicContact CD1-CG 4.48Å
53	S	87.5	Confident	82	Confident	1 Å²	1	36 Å²	36	1%	0.007	19%	0.19	C	C	.	.			trans	-66.4	138.4	171.8	-53.8	0	0	0	0	110.9	Y38 D39 V40 T64 N65	Y38-S53 CarbonylContact O-C 3.58Å; Y38-S53 WeakPolarHBondContact O-CA 3.34Å; Y38-S53 WeakPolarHBondContact O-CB 3.38Å; D39-S53 WeakPolarHBondContact CA-OG 3.34Å; D39-S53 WeakPolarHBondContact OD1-CB 3.41Å; D39-S53 PolarHBondContact OD1-OG 3.04Å; V40-S53 PolarHBondContact N-OG 3.31Å; S53-T64 VanDerWaalsContact C-OG1 3.31Å; S53-T64 PolarHBondContact O-N 3.04Å; S53-T64 PolarHBondContact O-OG1 3.38Å; S53-N65 WeakPolarHBondContact CB-ND2 3.25Å; S53-N65 VanDerWaalsContact CB-OD1 3.22Å; S53-N65 WeakPolarHBondContact CB-OD1 3.29Å; S53-N65 PolarHBondContact N-ND2 3.24Å; S53-N65 PolarHBondContact OG-ND2 3.34Å; S53-N65 PolarHBondContact OG-OD1 3.49Å; S53-N65 VanDerWaalsContact OG-OD1 3.1Å
54	R	88.5	Confident	82.7	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141.4	-168.4	-70.1	165.1	-64.7	164.9	1.4	110.9	Y38 N50 L52 Q61 C62 I63 W186	Y38-R54 PolarHBondContact N-O 2.87Å; Y38-R54 PolarHBondContact O-N 3.47Å; N50-R54 PolarHBondContact O-NH2 3.44Å; N50-R54 PolarHBondContact OD1-NH1 3Å; L52-R54 WeakPolarHBondContact O-CG 3.46Å; L52-R54 PolarHBondContact O-NE 2.93Å; R54-Q61 HydrophobicContact CB-CG 3.92Å; R54-Q61 VanDerWaalsContact CB-NE2 3.34Å; R54-Q61 HydrophobicContact CG-CG 4.38Å; R54-C62 CarbonylContact C-O 3.52Å; R54-C62 WeakPolarHBondContact CA-O 3.47Å; R54-I63 HydrophobicContact CG-CG1 3.91Å; R54-W186 VanDerWaalsContact NH2-CZ2 3.26Å
55	S	90.7	Very high	82.7	Confident	12 Å²	12	37.1 Å²	37.1	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.6	166.7	-173.4	0	0	0	0	108.7	P33 D34 A36 Q61 C62	P33-S55 CarbonylContact O-C 3.45Å; P33-S55 PolarHBondContact O-OG 3.4Å; D34-S55 WeakPolarHBondContact CA-OG 3.49Å; D34-S55 PolarHBondContact OD1-OG 3.4Å; A36-S55 CarbonylContact O-C 3.54Å; S55-Q61 CarbonylContact O-C 3.45Å; S55-Q61 WeakPolarHBondContact O-CA 3.27Å; S55-C62 PolarHBondContact N-O 2.86Å; S55-C62 PolarHBondContact O-N 3.21Å
56	R	91	Very high	82.2	Confident	7 Å²	7	39.9 Å²	39.9	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.2	-173.3	-172.7	172.5	74.6	167.8	12	111	P33 W35 A36 Y38 Q61 L79 M168 E171 S181	P33-R56 CarbonylContact O-C 3.54Å; P33-R56 VanDerWaalsContact O-CA 3.27Å; P33-R56 WeakPolarHBondContact O-CA 3.46Å; P33-R56 PolarHBondContact O-N 3.46Å; P33-R56 VanDerWaalsContact O-O 3.08Å; W35-R56 CarbonylContact C-O 3.57Å; W35-R56 WeakPolarHBondContact CA-O 3.3Å; W35-R56 VanDerWaalsContact CB-O 3.26Å; W35-R56 WeakPolarHBondContact CB-O 3.47Å; W35-R56 PolarHBondContact N-O 3.02Å; A36-R56 HydrophobicContact CB-CB 4.28Å; A36-R56 PolarHBondContact N-O 3.48Å; A36-R56 PolarHBondContact O-N 2.98Å; Y38-R56 HydrophobicContact CD2-CB 4.43Å; Y38-R56 HydrophobicContact CE2-CB 3.9Å; Y38-R56 PolarHBondContact OH-NE 2.96Å; Y38-R56 PolarHBondContact OH-NH1 2.92Å; Y38-R56 PolarHBondContact OH-NH2 2.84Å; R56-Q61 HydrophobicContact CB-CB 4.35Å; R56-Q61 HydrophobicContact CB-CG 3.95Å; R56-Q61 HydrophobicContact CG-CB 4.12Å; R56-Q61 HydrophobicContact CG-CG 4.18Å; R56-L79 HydrophobicContact CG-CD1 3.91Å; R56-L79 HydrophobicContact CG-CD2 4.26Å; R56-M168 PolarHBondContact NH2-SD 3.21Å; R56-E171 IonicContact CZ-OE2 2.76Å; R56-E171 IonicContact NH1-OE1 3.58Å; R56-E171 IonicContact NH1-OE2 3.33Å; R56-E171 PolarHBondContact NH1-OE2 3.36Å; R56-E171 IonicContact NH2-OE1 3.13Å; R56-E171 IonicContact NH2-OE2 3.58Å; R56-E171 PolarHBondContact NH2-OE2 3.29Å; R56-S181 PolarHBondContact NH1-O 2.82Å; R56-S181 VanDerWaalsContact NH1-O 3.15Å
57	G	92.4	Very high	81.6	Confident	5 Å²	5	43.7 Å²	43.7	5%	0.052	22%	0.216	C	C	.	.			trans	-99.9	-163.4	170.5	0	0	0	0	0	112	S32 P33 K60	S32-G57 WeakPolarHBondContact O-CA 3.38Å; P33-G57 PolarHBondContact O-N 3.13Å; G57-K60 PolarHBondContact N-O 3.3Å
58	L	90.7	Very high	80.8	Confident	12 Å²	12	39.7 Å²	39.7	6%	0.063	20%	0.196	C	C	.	.	S	Bend	trans	-79.2	-24.8	178.4	-58.3	178.4	0	0	0	114.2	Q30 W35 I102 N103 Y164	Q30-L58 VanDerWaalsContact NE2-CD1 3.32Å; W35-L58 HydrophobicContact CD2-CD2 3.79Å; W35-L58 HydrophobicContact CD2-CG 4.1Å; W35-L58 HydrophobicContact CE3-CD2 4.17Å; W35-L58 HydrophobicContact CG-CD2 4.22Å; W35-L58 HydrophobicContact CG-CG 4.34Å; W35-L58 HydrophobicContact CH2-CD1 4.36Å; W35-L58 HydrophobicContact CH2-CD2 4.2Å; W35-L58 HydrophobicContact CZ2-CD1 3.5Å; W35-L58 HydrophobicContact CZ2-CD2 3.8Å; W35-L58 HydrophobicContact CZ2-CG 3.76Å; W35-L58 HydrophobicContact CZ3-CD2 4.38Å; L58-I102 HydrophobicContact CD1-CG2 4.24Å; L58-I102 HydrophobicContact CD2-CG2 3.94Å; L58-N103 WeakPolarHBondContact CB-OD1 3.24Å; L58-N103 WeakPolarHBondContact CD1-OD1 3.39Å; L58-N103 PolarHBondContact O-ND2 3.37Å; L58-Y164 HydrophobicContact CD2-CD2 4.04Å; L58-Y164 HydrophobicContact CD2-CE2 4.28Å
59	W	89.4	Confident	80	Confident	112 Å²	112	43.3 Å²	43.3	42%	0.424	23%	0.225	S	C	.	.	S	Bend	trans	-114.2	-26.6	-174.7	-59.7	94.1	0	0	0	113.8	Q30 A78 L79 N103 I107	Q30-W59 PolarHBondContact O-NE1 2.9Å; W59-A78 CarbonylContact O-C 2.78Å; W59-A78 WeakPolarHBondContact O-CA 3.26Å; W59-L79 PolarHBondContact O-N 2.71Å; W59-N103 HydrophobicContact CH2-CB 3.61Å; W59-N103 HydrophobicContact CZ2-CB 3.46Å; W59-N103 VanDerWaalsContact CZ2-CB 3.46Å; W59-N103 HydrophobicContact CZ3-CB 4.37Å; W59-N103 PolarHBondContact NE1-OD1 3.5Å; W59-I107 HydrophobicContact CH2-CD1 4.07Å; W59-I107 HydrophobicContact CZ2-CD1 3.67Å
60	K	89.8	Confident	79.4	Confident	82 Å²	82	42.9 Å²	42.9	36%	0.357	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.2	-172.3	64.6	-179.3	-178.8	178.9	0	111.8	P33 G57 C76 Y77 L79	P33-K60 HydrophobicContact CB-CG 4.44Å; G57-K60 PolarHBondContact N-O 3.3Å; K60-C76 HydrophobicContact CD-CB 4.28Å; K60-Y77 CarbonylContact C-O 3.49Å; K60-Y77 WeakPolarHBondContact CA-O 3.22Å; K60-Y77 VanDerWaalsContact CB-O 3.25Å; K60-Y77 WeakPolarHBondContact CB-O 3.44Å; K60-L79 VanDerWaalsContact CA-CD1 3.48Å
61	Q	88.9	Confident	78.9	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.047	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.9	172.7	-172.6	168.9	13.6	0	0	108.7	R54 S55 R56 C76 Y77 L79	R54-Q61 HydrophobicContact CB-CG 3.92Å; R54-Q61 VanDerWaalsContact CB-NE2 3.34Å; R54-Q61 HydrophobicContact CG-CG 4.38Å; S55-Q61 CarbonylContact O-C 3.45Å; S55-Q61 WeakPolarHBondContact O-CA 3.27Å; R56-Q61 HydrophobicContact CB-CB 4.35Å; R56-Q61 HydrophobicContact CB-CG 3.95Å; R56-Q61 HydrophobicContact CG-CB 4.12Å; R56-Q61 HydrophobicContact CG-CG 4.18Å; Q61-C76 CarbonylContact O-C 3.59Å; Q61-C76 VanDerWaalsContact O-CA 3.31Å; Q61-C76 WeakPolarHBondContact O-CA 3.21Å; Q61-Y77 PolarHBondContact N-O 3.5Å; Q61-Y77 PolarHBondContact O-N 3.34Å; Q61-L79 HydrophobicContact CB-CD1 3.93Å
62	C	89	Confident	78.4	Confident	14 Å²	14	49.2 Å²	49.2	10%	0.095	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.8	-177.8	-58.9	0	0	0	0	110.1	P33 R54 S55 Q75 C76	P33-C62 HydrophobicContact CB-CB 4.46Å; R54-C62 CarbonylContact C-O 3.52Å; R54-C62 WeakPolarHBondContact CA-O 3.47Å; S55-C62 PolarHBondContact N-O 2.86Å; S55-C62 PolarHBondContact O-N 3.21Å; C62-Q75 WeakPolarHBondContact CA-O 3.13Å; C62-C76 HydrophobicContact CB-CB 4.1Å; C62-C76 WeakPolarHBondContact CB-SG 3.38Å; C62-C76 WeakPolarHBondContact SG-CB 3.31Å; C62-C76 CovalentContact SG-SG 2.04Å; C62-C76 PolarHBondContact SG-SG 3.05Å
63	I	86.8	Confident	77.7	Confident	9 Å²	9	52.4 Å²	52.4	5%	0.046	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.5	176.5	-66.8	167.4	0	0	0	109.1	L52 R54 Y72 Q75 Y77	L52-I63 HydrophobicContact CB-CG2 4.18Å; L52-I63 HydrophobicContact CD1-CD1 3.98Å; L52-I63 HydrophobicContact CD1-CG2 4.22Å; R54-I63 HydrophobicContact CG-CG1 3.91Å; I63-Y72 HydrophobicContact CD1-CG 4.46Å; I63-Y72 WeakPolarHBondContact CD1-O 3.21Å; I63-Q75 PolarHBondContact N-O 3.46Å; I63-Y77 HydrophobicContact CD1-CE2 3.92Å
64	T	81.9	Confident	77	Confident	69 Å²	69	55.2 Å²	55.2	42%	0.423	31%	0.309	S	S	.	.			trans	-109.6	-16.4	-176.7	56	0	0	0	0	113.6	S53	S53-T64 VanDerWaalsContact C-OG1 3.31Å; S53-T64 PolarHBondContact O-N 3.04Å; S53-T64 PolarHBondContact O-OG1 3.38Å
65	N	71.8	Confident	76.7	Confident	25 Å²	25	59 Å²	59	13%	0.134	33%	0.327	C	S	.	.			trans	-78.7	125.3	-178.1	-96.5	-0.6	0	0	0	113	S53 N73	S53-N65 WeakPolarHBondContact CB-ND2 3.25Å; S53-N65 VanDerWaalsContact CB-OD1 3.22Å; S53-N65 WeakPolarHBondContact CB-OD1 3.29Å; S53-N65 PolarHBondContact N-ND2 3.24Å; S53-N65 PolarHBondContact OG-ND2 3.34Å; S53-N65 PolarHBondContact OG-OD1 3.49Å; S53-N65 VanDerWaalsContact OG-OD1 3.1Å; N65-N73 PolarHBondContact O-OD1 3.5Å
66	E	60.3	Low	76.6	Confident	159 Å²	159	61.5 Å²	61.5	74%	0.743	34%	0.344	S	S	*	.			trans	-90.4	-8.1	168.3	-63.2	-177.4	167.1	0	0	113.2	V68	E66-V68 PolarHBondContact O-N 3.26Å
67	I	56.6	Low	76.3	Confident	127 Å²	127	65.4 Å²	65.4	65%	0.651	36%	0.359	S	S	*	.	S	Bend	trans	-61.1	-22.9	-165.4	-58.8	175	0	0	0	113.3
68	V	55.2	Low	76	Confident	53 Å²	53	69 Å²	69	32%	0.321	39%	0.388	S	S	.	.	S	Bend	trans	-131.5	126.6	176.9	-172.5	0	0	0	0	107.5	E66 T70	E66-V68 PolarHBondContact O-N 3.26Å; V68-T70 HydrophobicContact CB-CG2 3.82Å; V68-T70 HydrophobicContact CG1-CG2 3.53Å; V68-T70 PolarHBondContact O-N 3.17Å
69	S	56.3	Low	75.6	Confident	125 Å²	125	69.1 Å²	69.1	87%	0.874	39%	0.389	S	S	*	.			trans	-63.4	70.1	168	60.9	0	0	0	0	109.8
70	T	61.9	Low	75	Confident	31 Å²	31	65.7 Å²	65.7	19%	0.19	38%	0.377	C	S	.	.			trans	-91.4	156.7	171.8	62.6	0	0	0	0	108.5	V68 Y72 N73	V68-T70 HydrophobicContact CB-CG2 3.82Å; V68-T70 HydrophobicContact CG1-CG2 3.53Å; V68-T70 PolarHBondContact O-N 3.17Å; T70-Y72 PolarHBondContact O-N 3.47Å; T70-Y72 PolarHBondContact OG1-N 2.97Å; T70-N73 PolarHBondContact O-N 3.48Å
71	S	67.6	Low	74	Confident	90 Å²	90	64.5 Å²	64.5	63%	0.629	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-7.5	170.8	53.2	0	0	0	0	113.7	Q75	S71-Q75 PolarHBondContact O-NE2 3.41Å
72	Y	66.8	Low	72.9	Confident	86 Å²	86	66.2 Å²	66.2	34%	0.337	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-8.1	-170.9	-57.2	-63.9	0	0	0	114.2	L52 I63 T70 G74 Q75 Y77	L52-Y72 HydrophobicContact CD1-CD2 4.25Å; L52-Y72 HydrophobicContact CD1-CG 4.48Å; I63-Y72 HydrophobicContact CD1-CG 4.46Å; I63-Y72 WeakPolarHBondContact CD1-O 3.21Å; T70-Y72 PolarHBondContact O-N 3.47Å; T70-Y72 PolarHBondContact OG1-N 2.97Å; Y72-G74 PolarHBondContact O-N 3.42Å; Y72-Q75 WeakPolarHBondContact O-CB 3.48Å; Y72-Q75 PolarHBondContact O-N 2.96Å; Y72-Q75 VanDerWaalsContact O-N 3.1Å; Y72-Y77 WeakPolarHBondContact CD1-OH 3.32Å
73	N	68.6	Low	71.8	Confident	71 Å²	71	69.5 Å²	69.5	38%	0.38	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	133	-176.4	-165.2	9.5	0	0	0	111.4	N65 T70 Q75	N65-N73 PolarHBondContact O-OD1 3.5Å; T70-N73 PolarHBondContact O-N 3.48Å; N73-Q75 PolarHBondContact O-N 2.64Å
74	G	72.4	Confident	70.9	Confident	59 Å²	59	72.9 Å²	72.9	61%	0.608	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	3.2	-176.8	0	0	0	0	0	115.7	Y72	Y72-G74 PolarHBondContact O-N 3.42Å
75	Q	83.5	Confident	70.3	Confident	80 Å²	80	71.4 Å²	71.4	37%	0.374	43%	0.429	S	S	.	.			trans	-80.1	142.9	178.3	-62.8	-169	-10.5	0	0	111.6	C62 I63 S71 Y72 N73 Y77	C62-Q75 WeakPolarHBondContact CA-O 3.13Å; I63-Q75 PolarHBondContact N-O 3.46Å; S71-Q75 PolarHBondContact O-NE2 3.41Å; Y72-Q75 WeakPolarHBondContact O-CB 3.48Å; Y72-Q75 PolarHBondContact O-N 2.96Å; Y72-Q75 VanDerWaalsContact O-N 3.1Å; N73-Q75 PolarHBondContact O-N 2.64Å; Q75-Y77 HydrophobicContact CB-CE2 4.23Å; Q75-Y77 PolarHBondContact OE1-OH 2.78Å
76	C	86.6	Confident	70.4	Confident	66 Å²	66	75.7 Å²	75.7	45%	0.446	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.2	172.7	-61.3	0	0	0	0	110.1	K60 Q61 C62	K60-C76 HydrophobicContact CD-CB 4.28Å; Q61-C76 CarbonylContact O-C 3.59Å; Q61-C76 VanDerWaalsContact O-CA 3.31Å; Q61-C76 WeakPolarHBondContact O-CA 3.21Å; C62-C76 HydrophobicContact CB-CB 4.1Å; C62-C76 WeakPolarHBondContact CB-SG 3.38Å; C62-C76 WeakPolarHBondContact SG-CB 3.31Å; C62-C76 CovalentContact SG-SG 2.04Å; C62-C76 PolarHBondContact SG-SG 3.05Å
77	Y	85.4	Confident	71.1	Confident	89 Å²	89	76.8 Å²	76.8	35%	0.349	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.8	176.3	-56.7	-78.6	0	0	0	109.9	K60 Q61 I63 Y72 Q75	K60-Y77 CarbonylContact C-O 3.49Å; K60-Y77 WeakPolarHBondContact CA-O 3.22Å; K60-Y77 VanDerWaalsContact CB-O 3.25Å; K60-Y77 WeakPolarHBondContact CB-O 3.44Å; Q61-Y77 PolarHBondContact N-O 3.5Å; Q61-Y77 PolarHBondContact O-N 3.34Å; I63-Y77 HydrophobicContact CD1-CE2 3.92Å; Y72-Y77 WeakPolarHBondContact CD1-OH 3.32Å; Q75-Y77 HydrophobicContact CB-CE2 4.23Å; Q75-Y77 PolarHBondContact OE1-OH 2.78Å
78	A	85.3	Confident	72.2	Confident	80 Å²	80	72.3 Å²	72.3	66%	0.661	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	143.1	172.7	0	0	0	0	0	110.4	W59	W59-A78 CarbonylContact O-C 2.78Å; W59-A78 WeakPolarHBondContact O-CA 3.26Å
79	L	83.4	Confident	73.4	Confident	14 Å²	14	74 Å²	74	7%	0.073	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-71.1	132.1	163.6	-95.3	72.2	0	0	0	107.6	R56 W59 K60 Q61 T81	R56-L79 HydrophobicContact CG-CD1 3.91Å; R56-L79 HydrophobicContact CG-CD2 4.26Å; W59-L79 PolarHBondContact O-N 2.71Å; K60-L79 VanDerWaalsContact CA-CD1 3.48Å; Q61-L79 HydrophobicContact CB-CD1 3.93Å; L79-T81 PolarHBondContact O-N 2.95Å
80	E	76.4	Confident	74.4	Confident	40 Å²	40	70.8 Å²	70.8	19%	0.187	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-66.3	134.4	-176.1	-50.4	101.3	145.6	0	0	110	Y88 R99 L179 S181	E80-Y88 HydrophobicContact CB-CE2 4.19Å; E80-Y88 WeakPolarHBondContact CB-OH 3.11Å; E80-Y88 WeakPolarHBondContact CG-OH 3.05Å; E80-R99 IonicContact OE2-NH1 2.71Å; E80-L179 HydrophobicContact CB-CD1 4.31Å; E80-S181 VanDerWaalsContact OE2-CB 3.24Å; E80-S181 WeakPolarHBondContact OE2-CB 3.49Å; E80-S181 PolarHBondContact OE2-OG 3.28Å
81	T	69.3	Low	75.4	Confident	58 Å²	58	74 Å²	74	36%	0.356	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-102.3	166.2	-173.2	69.3	0	0	0	0	111	L79 A83 D84	L79-T81 PolarHBondContact O-N 2.95Å; T81-A83 PolarHBondContact O-N 3.3Å; T81-A83 PolarHBondContact OG1-N 3.3Å; T81-D84 PolarHBondContact O-N 3.23Å
82	S	66.2	Low	76.1	Confident	46 Å²	46	69.7 Å²	69.7	32%	0.322	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-57.8	-19.2	175.4	53.7	0	0	0	0	114.2	D84 S85 T100	S82-D84 VanDerWaalsContact C-N 3.31Å; S82-S85 WeakPolarHBondContact O-CB 3.38Å; S82-S85 PolarHBondContact O-N 2.78Å; S82-S85 PolarHBondContact O-OG 2.87Å; S82-T100 PolarHBondContact OG-OG1 3.42Å; S82-T100 VanDerWaalsContact OG-OG1 3.1Å
83	A	66.2	Low	77	Confident	82 Å²	82	69.9 Å²	69.9	68%	0.678	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-69.4	-28.7	176.6	0	0	0	0	0	112.8	T81 S85	T81-A83 PolarHBondContact O-N 3.3Å; T81-A83 PolarHBondContact OG1-N 3.3Å; A83-S85 VanDerWaalsContact C-N 3.27Å; A83-S85 PolarHBondContact O-N 2.96Å
84	D	67.8	Low	77.9	Confident	80 Å²	80	68.6 Å²	68.6	43%	0.428	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-91.3	14.5	178.2	-64.9	-44.4	0	0	0	112.5	T81 S82 S86	T81-D84 PolarHBondContact O-N 3.23Å; S82-D84 VanDerWaalsContact C-N 3.31Å; D84-S86 PolarHBondContact O-N 2.78Å; D84-S86 VanDerWaalsContact O-N 3.08Å
85	S	68.6	Low	78.6	Confident	39 Å²	39	65.8 Å²	65.8	27%	0.273	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.9	-171.5	54.2	0	0	0	0	115.5	S82 A83 R87 Y88	S82-S85 WeakPolarHBondContact O-CB 3.38Å; S82-S85 PolarHBondContact O-N 2.78Å; S82-S85 PolarHBondContact O-OG 2.87Å; A83-S85 VanDerWaalsContact C-N 3.27Å; A83-S85 PolarHBondContact O-N 2.96Å; S85-R87 PolarHBondContact O-N 2.81Å; S85-R87 VanDerWaalsContact O-N 3.16Å; S85-Y88 PolarHBondContact O-N 3.21Å
86	S	73.1	Confident	78.8	Confident	114 Å²	114	62 Å²	62	80%	0.797	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.4	-177	60.2	0	0	0	0	114.5	D84	D84-S86 PolarHBondContact O-N 2.78Å; D84-S86 VanDerWaalsContact O-N 3.08Å
87	R	76.5	Confident	79	Confident	182 Å²	182	62.1 Å²	62.1	69%	0.687	37%	0.367	S	S	*	.	S	Bend	trans	-84.7	-34.3	177.4	-60.8	-177.6	-175.8	175	3.1	111.9	S85	S85-R87 PolarHBondContact O-N 2.81Å; S85-R87 VanDerWaalsContact O-N 3.16Å
88	Y	79.6	Confident	79.3	Confident	34 Å²	34	59.6 Å²	59.6	13%	0.133	36%	0.359	C	S	.	.	S	Bend	trans	-85.2	159.5	-169.9	-51.4	-62	0	0	0	114.1	E80 S85 V92 L96 E178 L179	E80-Y88 HydrophobicContact CB-CE2 4.19Å; E80-Y88 WeakPolarHBondContact CB-OH 3.11Å; E80-Y88 WeakPolarHBondContact CG-OH 3.05Å; S85-Y88 PolarHBondContact O-N 3.21Å; Y88-V92 HydrophobicContact CD2-CG2 4.5Å; Y88-V92 HydrophobicContact CG-CG2 3.96Å; Y88-L96 HydrophobicContact CD2-CD1 3.63Å; Y88-L96 HydrophobicContact CE2-CD1 4.22Å; Y88-L96 HydrophobicContact CE2-CD2 4.42Å; Y88-E178 HydrophobicContact CD1-CB 3.85Å; Y88-E178 HydrophobicContact CE1-CB 4.12Å; Y88-L179 HydrophobicContact CD1-CB 4.16Å; Y88-L179 HydrophobicContact CD1-CD1 4.5Å; Y88-L179 HydrophobicContact CE1-CB 4.16Å; Y88-L179 HydrophobicContact CE1-CD1 3.98Å; Y88-L179 HydrophobicContact CE2-CD1 4.38Å
89	N	79.6	Confident	79.6	Confident	89 Å²	89	56.5 Å²	56.5	48%	0.476	33%	0.33	S	S	.	.			trans	-67.1	145.3	170.3	-171.8	-15	0	0	0	110.4	N91 V92 D176	N89-N91 PolarHBondContact O-N 3.23Å; N89-N91 PolarHBondContact OD1-N 2.86Å; N89-V92 WeakPolarHBondContact O-CG2 3.37Å; N89-V92 PolarHBondContact O-N 2.99Å; N89-D176 VanDerWaalsContact CB-OD2 3.28Å; N89-D176 WeakPolarHBondContact CB-OD2 3.27Å; N89-D176 PolarHBondContact N-OD2 3.34Å
90	G	78.4	Confident	79.9	Confident	57 Å²	57	58.4 Å²	58.4	59%	0.588	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-54.7	-20.4	176	0	0	0	0	0	114.4	V92 Q93	G90-V92 VanDerWaalsContact C-N 3.3Å; G90-V92 PolarHBondContact O-N 2.91Å; G90-Q93 VanDerWaalsContact O-CB 3.32Å; G90-Q93 WeakPolarHBondContact O-CB 3.49Å; G90-Q93 PolarHBondContact O-N 3.39Å
91	N	81.8	Confident	80.7	Confident	97 Å²	97	58 Å²	58	52%	0.519	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-62.3	-29.4	175.1	-71.3	-15.9	0	0	0	114.1	N89 P94 R174	N89-N91 PolarHBondContact O-N 3.23Å; N89-N91 PolarHBondContact OD1-N 2.86Å; N91-P94 WeakPolarHBondContact O-CD 3.29Å; N91-R174 WeakPolarHBondContact O-CD 3.11Å
92	V	82.4	Confident	81.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-89.9	-5.2	178.7	-64	0	0	0	0	113.7	Y88 N89 G90 P94 I95 L96 D176 L179	Y88-V92 HydrophobicContact CD2-CG2 4.5Å; Y88-V92 HydrophobicContact CG-CG2 3.96Å; N89-V92 WeakPolarHBondContact O-CG2 3.37Å; N89-V92 PolarHBondContact O-N 2.99Å; G90-V92 VanDerWaalsContact C-N 3.3Å; G90-V92 PolarHBondContact O-N 2.91Å; V92-P94 VanDerWaalsContact C-N 3.26Å; V92-P94 VanDerWaalsContact O-N 3.12Å; V92-I95 HydrophobicContact CG1-CD1 4.42Å; V92-I95 WeakPolarHBondContact O-CA 3.35Å; V92-I95 WeakPolarHBondContact O-CB 3.46Å; V92-I95 PolarHBondContact O-N 3.43Å; V92-L96 HydrophobicContact CG2-CD1 4.23Å; V92-L96 PolarHBondContact O-N 3.5Å; V92-L96 VanDerWaalsContact O-N 3.12Å; V92-D176 HydrophobicContact CG1-CB 3.31Å; V92-L179 HydrophobicContact CB-CD2 3.96Å; V92-L179 HydrophobicContact CG1-CB 4.43Å; V92-L179 HydrophobicContact CG1-CD2 3.89Å; V92-L179 HydrophobicContact CG2-CD2 4.44Å
93	Q	85.3	Confident	83.2	Confident	90 Å²	90	53.8 Å²	53.8	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-52.8	-38	-177.1	-170.7	65.3	-14.4	0	0	113.8	G90 L96 S97	G90-Q93 VanDerWaalsContact O-CB 3.32Å; G90-Q93 WeakPolarHBondContact O-CB 3.49Å; G90-Q93 PolarHBondContact O-N 3.39Å; Q93-L96 PolarHBondContact O-N 3.32Å; Q93-S97 WeakPolarHBondContact O-CB 3.03Å; Q93-S97 PolarHBondContact O-N 3.34Å
94	P	87.8	Confident	84.5	Confident	44 Å²	44	51.8 Å²	51.8	29%	0.286	30%	0.302	S	S	.	.	H	α-helix	trans	-75.2	-25.1	177.8	-6.3	22.5	0	0	0	113.1	N91 V92 M98 R174	N91-P94 WeakPolarHBondContact O-CD 3.29Å; V92-P94 VanDerWaalsContact C-N 3.26Å; V92-P94 VanDerWaalsContact O-N 3.12Å; P94-M98 WeakPolarHBondContact O-CB 3.29Å; P94-M98 WeakPolarHBondContact O-CG 3.44Å; P94-M98 PolarHBondContact O-N 3.12Å; P94-R174 VanDerWaalsContact CG-NH1 3.25Å
95	I	88.1	Confident	85.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-49.8	170.1	-66.1	171.3	0	0	0	109.1	V92 S97 M98 R99 N167 Q170 E171 R174 L179	V92-I95 HydrophobicContact CG1-CD1 4.42Å; V92-I95 WeakPolarHBondContact O-CA 3.35Å; V92-I95 WeakPolarHBondContact O-CB 3.46Å; V92-I95 PolarHBondContact O-N 3.43Å; I95-S97 VanDerWaalsContact C-N 3.32Å; I95-S97 PolarHBondContact O-N 3.23Å; I95-M98 PolarHBondContact O-N 3.16Å; I95-R99 WeakPolarHBondContact O-CG 3.35Å; I95-R99 PolarHBondContact O-N 2.97Å; I95-N167 PolarHBondContact O-OD1 3.31Å; I95-Q170 HydrophobicContact CG1-CB 4.06Å; I95-E171 HydrophobicContact CD1-CG 4.12Å; I95-E171 HydrophobicContact CG1-CG 4.41Å; I95-E171 HydrophobicContact CG2-CG 3.84Å; I95-R174 HydrophobicContact CD1-CB 3.98Å; I95-L179 HydrophobicContact CG2-CD2 4.21Å
96	L	88	Confident	87.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-42	178.9	-59.4	175.5	0	0	0	111.6	Y88 V92 Q93 R99 T100 L179	Y88-L96 HydrophobicContact CD2-CD1 3.63Å; Y88-L96 HydrophobicContact CE2-CD1 4.22Å; Y88-L96 HydrophobicContact CE2-CD2 4.42Å; V92-L96 HydrophobicContact CG2-CD1 4.23Å; V92-L96 PolarHBondContact O-N 3.5Å; V92-L96 VanDerWaalsContact O-N 3.12Å; Q93-L96 PolarHBondContact O-N 3.32Å; L96-R99 PolarHBondContact O-N 3.31Å; L96-T100 PolarHBondContact O-N 2.92Å; L96-T100 VanDerWaalsContact O-N 3.08Å; L96-T100 PolarHBondContact O-OG1 3.48Å; L96-L179 HydrophobicContact CD2-CD1 4.29Å
97	S	89.6	Confident	88.2	Confident	69 Å²	69	46.1 Å²	46.1	48%	0.483	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-44.8	175.7	-177.8	0	0	0	0	112.2	Q93 I95 T100 A101	Q93-S97 WeakPolarHBondContact O-CB 3.03Å; Q93-S97 PolarHBondContact O-N 3.34Å; I95-S97 VanDerWaalsContact C-N 3.32Å; I95-S97 PolarHBondContact O-N 3.23Å; S97-T100 PolarHBondContact O-N 2.87Å; S97-A101 VanDerWaalsContact O-CB 3.26Å; S97-A101 WeakPolarHBondContact O-CB 3.34Å; S97-A101 PolarHBondContact O-N 3.19Å
98	M	91.9	Very high	89.2	Confident	37 Å²	37	41.5 Å²	41.5	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-44.7	177.5	-72.6	173.9	-171.5	0	0	111.6	P94 I95 T100 A101 I102 I163 E166 N167 Q170	P94-M98 WeakPolarHBondContact O-CB 3.29Å; P94-M98 WeakPolarHBondContact O-CG 3.44Å; P94-M98 PolarHBondContact O-N 3.12Å; I95-M98 PolarHBondContact O-N 3.16Å; M98-T100 PolarHBondContact O-N 2.9Å; M98-A101 PolarHBondContact O-N 3.41Å; M98-A101 VanDerWaalsContact O-N 3.17Å; M98-I102 WeakPolarHBondContact O-CD1 3.46Å; M98-I102 WeakPolarHBondContact O-CG1 3.18Å; M98-I102 PolarHBondContact O-N 2.85Å; M98-I163 HydrophobicContact CB-CG2 3.8Å; M98-I163 HydrophobicContact CG-CG2 3.87Å; M98-E166 HydrophobicContact CE-CG 3.83Å; M98-E166 HydrophobicContact SD-CG 4.1Å; M98-N167 HydrophobicContact CB-CB 3.97Å; M98-N167 HydrophobicContact SD-CB 4.17Å; M98-Q170 HydrophobicContact CE-CG 4.21Å; M98-Q170 HydrophobicContact SD-CG 4.24Å
99	R	91.1	Very high	90	Very high	14 Å²	14	39.9 Å²	39.9	5%	0.053	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-47.2	175.4	-72.5	177.4	178	-174.6	-0.7	112	E80 I95 L96 N103 E171 S181	E80-R99 IonicContact OE2-NH1 2.71Å; I95-R99 WeakPolarHBondContact O-CG 3.35Å; I95-R99 PolarHBondContact O-N 2.97Å; L96-R99 PolarHBondContact O-N 3.31Å; R99-N103 PolarHBondContact O-N 3.24Å; R99-N103 PolarHBondContact O-ND2 3.38Å; R99-E171 IonicContact CZ-OE1 3.05Å; R99-E171 IonicContact NE-OE1 2.82Å; R99-E171 PolarHBondContact NE-OE1 3.45Å; R99-E171 IonicContact NH2-OE1 3.77Å; R99-E171 PolarHBondContact NH2-OE1 3.25Å; R99-S181 PolarHBondContact NH1-OG 3.28Å; R99-S181 PolarHBondContact NH2-OG 3.44Å
100	T	91.1	Very high	90.8	Very high	54 Å²	54	36.7 Å²	36.7	33%	0.331	22%	0.223	S	C	.	.	H	α-helix	trans	-64.7	-42.6	176	-59.5	0	0	0	0	111.7	S82 L96 S97 M98 N103 A104	S82-T100 PolarHBondContact OG-OG1 3.42Å; S82-T100 VanDerWaalsContact OG-OG1 3.1Å; L96-T100 PolarHBondContact O-N 2.92Å; L96-T100 VanDerWaalsContact O-N 3.08Å; L96-T100 PolarHBondContact O-OG1 3.48Å; S97-T100 PolarHBondContact O-N 2.87Å; M98-T100 PolarHBondContact O-N 2.9Å; T100-N103 PolarHBondContact O-N 2.86Å; T100-A104 WeakPolarHBondContact O-CB 3.28Å; T100-A104 PolarHBondContact O-N 2.96Å
101	A	92.8	Very high	91.8	Very high	32 Å²	32	38.4 Å²	38.4	26%	0.264	22%	0.217	S	C	.	.	H	α-helix	trans	-64.2	-43.4	-178.9	0	0	0	0	0	112.6	S97 M98 N103 A104 L105	S97-A101 VanDerWaalsContact O-CB 3.26Å; S97-A101 WeakPolarHBondContact O-CB 3.34Å; S97-A101 PolarHBondContact O-N 3.19Å; M98-A101 PolarHBondContact O-N 3.41Å; M98-A101 VanDerWaalsContact O-N 3.17Å; A101-N103 VanDerWaalsContact C-N 3.34Å; A101-N103 PolarHBondContact O-N 3.32Å; A101-A104 PolarHBondContact O-N 3.35Å; A101-L105 VanDerWaalsContact O-CB 3.31Å; A101-L105 WeakPolarHBondContact O-CB 3.46Å; A101-L105 WeakPolarHBondContact O-CG 3.16Å; A101-L105 PolarHBondContact O-N 3.29Å
102	I	94.2	Very high	92.5	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-55.9	-51.9	177.7	-65.7	155.2	0	0	0	109.9	L58 M98 Q106 I163 Y164 N167	L58-I102 HydrophobicContact CD1-CG2 4.24Å; L58-I102 HydrophobicContact CD2-CG2 3.94Å; M98-I102 WeakPolarHBondContact O-CD1 3.46Å; M98-I102 WeakPolarHBondContact O-CG1 3.18Å; M98-I102 PolarHBondContact O-N 2.85Å; I102-Q106 WeakPolarHBondContact O-CG 3.27Å; I102-Q106 PolarHBondContact O-N 3.37Å; I102-Q106 VanDerWaalsContact O-N 3.09Å; I102-I163 HydrophobicContact CD1-CG2 4.07Å; I102-I163 HydrophobicContact CG1-CB 3.99Å; I102-I163 HydrophobicContact CG1-CG2 3.61Å; I102-Y164 HydrophobicContact CD1-CD2 4.4Å; I102-N167 HydrophobicContact CD1-CB 4.14Å
103	N	92.8	Very high	93.2	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.059	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-49	179.7	-78	-33.4	0	0	0	112.4	L58 W59 R99 T100 A101 L105 Q106 I107	L58-N103 WeakPolarHBondContact CB-OD1 3.24Å; L58-N103 WeakPolarHBondContact CD1-OD1 3.39Å; L58-N103 PolarHBondContact O-ND2 3.37Å; W59-N103 HydrophobicContact CH2-CB 3.61Å; W59-N103 HydrophobicContact CZ2-CB 3.46Å; W59-N103 VanDerWaalsContact CZ2-CB 3.46Å; W59-N103 HydrophobicContact CZ3-CB 4.37Å; W59-N103 PolarHBondContact NE1-OD1 3.5Å; R99-N103 PolarHBondContact O-N 3.24Å; R99-N103 PolarHBondContact O-ND2 3.38Å; T100-N103 PolarHBondContact O-N 2.86Å; A101-N103 VanDerWaalsContact C-N 3.34Å; A101-N103 PolarHBondContact O-N 3.32Å; N103-L105 PolarHBondContact O-N 3Å; N103-Q106 PolarHBondContact O-N 2.55Å; N103-I107 WeakPolarHBondContact O-CG1 3.43Å; N103-I107 PolarHBondContact O-N 2.9Å
104	A	93.7	Very high	93.8	Very high	41 Å²	41	38.5 Å²	38.5	34%	0.339	22%	0.215	S	C	.	.	H	α-helix	trans	-60.8	-47.6	-179.8	0	0	0	0	0	111.9	T100 A101 Q106 I107 I108	T100-A104 WeakPolarHBondContact O-CB 3.28Å; T100-A104 PolarHBondContact O-N 2.96Å; A101-A104 PolarHBondContact O-N 3.35Å; A104-Q106 PolarHBondContact O-N 3.04Å; A104-I107 PolarHBondContact O-N 2.89Å; A104-I108 WeakPolarHBondContact O-CB 3.43Å; A104-I108 WeakPolarHBondContact O-CD1 3.48Å; A104-I108 WeakPolarHBondContact O-CG1 3.45Å; A104-I108 PolarHBondContact O-N 3.3Å
105	L	96.3	Very high	94.2	Very high	46 Å²	46	40 Å²	40	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-40.7	-178.6	-68.9	171.1	0	0	0	112	A101 N103 T109 I156 I163	A101-L105 VanDerWaalsContact O-CB 3.31Å; A101-L105 WeakPolarHBondContact O-CB 3.46Å; A101-L105 WeakPolarHBondContact O-CG 3.16Å; A101-L105 PolarHBondContact O-N 3.29Å; N103-L105 PolarHBondContact O-N 3Å; L105-T109 WeakPolarHBondContact O-CB 3.44Å; L105-T109 PolarHBondContact O-N 3.24Å; L105-T109 PolarHBondContact O-OG1 3.31Å; L105-I156 HydrophobicContact CB-CG2 4.17Å; L105-I156 HydrophobicContact CD2-CG2 3.87Å; L105-I163 HydrophobicContact CD1-CD1 3.66Å
106	Q	95.6	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-44.2	177.6	-71.6	-172.1	14.2	0	0	112	I102 N103 A104 T109 I110 Y157 S160	I102-Q106 WeakPolarHBondContact O-CG 3.27Å; I102-Q106 PolarHBondContact O-N 3.37Å; I102-Q106 VanDerWaalsContact O-N 3.09Å; N103-Q106 PolarHBondContact O-N 2.55Å; A104-Q106 PolarHBondContact O-N 3.04Å; Q106-T109 WeakPolarHBondContact O-CB 3.34Å; Q106-T109 PolarHBondContact O-N 2.92Å; Q106-I110 VanDerWaalsContact O-CG1 3.3Å; Q106-I110 WeakPolarHBondContact O-CG1 3.31Å; Q106-I110 PolarHBondContact O-N 3.48Å; Q106-Y157 HydrophobicContact CB-CD2 4.43Å; Q106-Y157 HydrophobicContact CB-CE2 4.13Å; Q106-Y157 HydrophobicContact CG-CD2 3.97Å; Q106-Y157 HydrophobicContact CG-CE2 3.69Å; Q106-S160 WeakPolarHBondContact CG-OG 3.11Å; Q106-S160 PolarHBondContact NE2-OG 3.14Å; Q106-S160 VanDerWaalsContact NE2-OG 3.09Å
107	I	95.8	Very high	94.9	Very high	67 Å²	67	42 Å²	42	34%	0.344	23%	0.23	S	C	.	.	H	α-helix	trans	-61.5	-46.6	176	-71.3	171.5	0	0	0	111	W59 N103 A104 T109 I110 I111	W59-I107 HydrophobicContact CH2-CD1 4.07Å; W59-I107 HydrophobicContact CZ2-CD1 3.67Å; N103-I107 WeakPolarHBondContact O-CG1 3.43Å; N103-I107 PolarHBondContact O-N 2.9Å; A104-I107 PolarHBondContact O-N 2.89Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 3.41Å; I107-I110 PolarHBondContact O-N 3.41Å; I107-I111 HydrophobicContact CG2-CD1 3.82Å; I107-I111 HydrophobicContact CG2-CG1 4.5Å; I107-I111 WeakPolarHBondContact O-CG1 3.35Å; I107-I111 PolarHBondContact O-N 3.36Å
108	I	96.8	Very high	95.2	Very high	85 Å²	85	41.9 Å²	41.9	44%	0.436	23%	0.226	S	C	.	.	H	α-helix	trans	-57.5	-44.8	176.8	-71.8	165.2	0	0	0	109.9	A104 I110 I111 L112	A104-I108 WeakPolarHBondContact O-CB 3.43Å; A104-I108 WeakPolarHBondContact O-CD1 3.48Å; A104-I108 WeakPolarHBondContact O-CG1 3.45Å; A104-I108 PolarHBondContact O-N 3.3Å; I108-I110 PolarHBondContact O-N 3.02Å; I108-I111 PolarHBondContact O-N 3.41Å; I108-L112 HydrophobicContact CG2-CD1 3.67Å; I108-L112 HydrophobicContact CG2-CG 4.14Å; I108-L112 WeakPolarHBondContact O-CB 3.4Å; I108-L112 VanDerWaalsContact O-CG 3.24Å; I108-L112 WeakPolarHBondContact O-CG 3.41Å; I108-L112 PolarHBondContact O-N 3.46Å
109	T	97.1	Very high	95.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-48.5	177.1	-56.8	0	0	0	0	111.5	F22 L105 Q106 I107 I111 L112 V113 T153 I156 Y157	F22-T109 HydrophobicContact CZ-CG2 3.91Å; L105-T109 WeakPolarHBondContact O-CB 3.44Å; L105-T109 PolarHBondContact O-N 3.24Å; L105-T109 PolarHBondContact O-OG1 3.31Å; Q106-T109 WeakPolarHBondContact O-CB 3.34Å; Q106-T109 PolarHBondContact O-N 2.92Å; I107-T109 VanDerWaalsContact C-N 3.27Å; I107-T109 PolarHBondContact O-N 3.41Å; T109-I111 VanDerWaalsContact C-N 3.3Å; T109-I111 PolarHBondContact O-N 3.01Å; T109-L112 PolarHBondContact O-N 2.92Å; T109-V113 HydrophobicContact CG2-CG2 4.12Å; T109-V113 WeakPolarHBondContact O-CB 3.42Å; T109-V113 WeakPolarHBondContact O-CG2 3.44Å; T109-V113 PolarHBondContact O-N 3.3Å; T109-T153 WeakPolarHBondContact CG2-O 3.37Å; T109-I156 WeakPolarHBondContact OG1-CG2 3.02Å; T109-Y157 HydrophobicContact CG2-CD2 4.08Å; T109-Y157 HydrophobicContact CG2-CG 4.41Å
110	I	97.1	Very high	95.3	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.118	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-46.4	179.9	-69.1	164.8	0	0	0	110.4	L23 A26 I27 Q30 Q106 I107 I108 F114	L23-I110 HydrophobicContact CD2-CG2 3.95Å; A26-I110 HydrophobicContact CB-CD1 3.88Å; A26-I110 HydrophobicContact CB-CG1 3.76Å; I27-I110 HydrophobicContact CG1-CD1 4.34Å; I27-I110 HydrophobicContact CG1-CG2 4.18Å; Q30-I110 HydrophobicContact CG-CD1 3.95Å; Q106-I110 VanDerWaalsContact O-CG1 3.3Å; Q106-I110 WeakPolarHBondContact O-CG1 3.31Å; Q106-I110 PolarHBondContact O-N 3.48Å; I107-I110 PolarHBondContact O-N 3.41Å; I108-I110 PolarHBondContact O-N 3.02Å; I110-F114 WeakPolarHBondContact O-CB 3.18Å; I110-F114 PolarHBondContact O-N 3.08Å
111	I	97.6	Very high	95.3	Very high	92 Å²	92	43 Å²	43	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-46.6	178.3	-66.2	169.4	0	0	0	110.9	I107 I108 T109 F114 I115	I107-I111 HydrophobicContact CG2-CD1 3.82Å; I107-I111 HydrophobicContact CG2-CG1 4.5Å; I107-I111 WeakPolarHBondContact O-CG1 3.35Å; I107-I111 PolarHBondContact O-N 3.36Å; I108-I111 PolarHBondContact O-N 3.41Å; T109-I111 VanDerWaalsContact C-N 3.3Å; T109-I111 PolarHBondContact O-N 3.01Å; I111-F114 PolarHBondContact O-N 3.17Å; I111-I115 HydrophobicContact CG2-CD1 3.8Å; I111-I115 HydrophobicContact CG2-CG1 4.5Å; I111-I115 VanDerWaalsContact O-CG1 3.31Å; I111-I115 WeakPolarHBondContact O-CG1 3.48Å; I111-I115 PolarHBondContact O-N 2.94Å
112	L	97.5	Very high	95.2	Very high	65 Å²	65	45.3 Å²	45.3	34%	0.34	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-45.2	179.9	-72.9	175.4	0	0	0	111.8	I108 T109 F114 I115 I116 T153 I156	I108-L112 HydrophobicContact CG2-CD1 3.67Å; I108-L112 HydrophobicContact CG2-CG 4.14Å; I108-L112 WeakPolarHBondContact O-CB 3.4Å; I108-L112 VanDerWaalsContact O-CG 3.24Å; I108-L112 WeakPolarHBondContact O-CG 3.41Å; I108-L112 PolarHBondContact O-N 3.46Å; T109-L112 PolarHBondContact O-N 2.92Å; L112-F114 VanDerWaalsContact C-N 3.34Å; L112-F114 PolarHBondContact O-N 3.07Å; L112-I115 PolarHBondContact O-N 3.41Å; L112-I116 WeakPolarHBondContact O-CD1 3.5Å; L112-I116 WeakPolarHBondContact O-CG1 3.21Å; L112-I116 PolarHBondContact O-N 2.73Å; L112-T153 HydrophobicContact CB-CG2 3.7Å; L112-T153 HydrophobicContact CD1-CG2 4.03Å; L112-I156 HydrophobicContact CD1-CD1 4.35Å
113	V	97.4	Very high	94.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-43.6	177.6	171.2	0	0	0	0	110.7	F22 L23 T109 I115 I116 I117 L150 T153 I212	F22-V113 HydrophobicContact CD1-CB 4.37Å; F22-V113 HydrophobicContact CD1-CG1 3.83Å; F22-V113 HydrophobicContact CD1-CG2 4.38Å; F22-V113 HydrophobicContact CE1-CB 3.92Å; F22-V113 HydrophobicContact CE1-CG1 3.9Å; F22-V113 HydrophobicContact CE1-CG2 3.72Å; F22-V113 HydrophobicContact CZ-CG2 4.4Å; L23-V113 HydrophobicContact CD2-CB 4.3Å; L23-V113 HydrophobicContact CD2-CG1 4.11Å; L23-V113 HydrophobicContact CG-CG1 4.36Å; T109-V113 HydrophobicContact CG2-CG2 4.12Å; T109-V113 WeakPolarHBondContact O-CB 3.42Å; T109-V113 WeakPolarHBondContact O-CG2 3.44Å; T109-V113 PolarHBondContact O-N 3.3Å; V113-I115 VanDerWaalsContact C-N 3.35Å; V113-I115 PolarHBondContact O-N 2.89Å; V113-I116 PolarHBondContact O-N 2.96Å; V113-I117 HydrophobicContact CG1-CD1 3.89Å; V113-I117 HydrophobicContact CG1-CG1 4.4Å; V113-I117 VanDerWaalsContact O-CG1 3.27Å; V113-I117 WeakPolarHBondContact O-CG1 3.37Å; V113-I117 PolarHBondContact O-N 3.49Å; V113-L150 HydrophobicContact CG1-CD2 4.05Å; V113-L150 HydrophobicContact CG2-CD2 4.3Å; V113-T153 WeakPolarHBondContact CG2-OG1 3.35Å; V113-I212 HydrophobicContact CG1-CD1 3.96Å; V113-I212 HydrophobicContact CG2-CD1 3.77Å; V113-I212 HydrophobicContact CG2-CG1 4.39Å
114	F	97.1	Very high	94.5	Very high	124 Å²	124	50 Å²	50	54%	0.544	27%	0.265	S	S	.	.	H	α-helix	trans	-58	-45.8	174.5	179	-101.7	0	0	0	112.4	L23 I110 I111 L112 I116 I117 V118	L23-F114 HydrophobicContact CD1-CB 4.47Å; L23-F114 HydrophobicContact CD1-CD2 4.27Å; I110-F114 WeakPolarHBondContact O-CB 3.18Å; I110-F114 PolarHBondContact O-N 3.08Å; I111-F114 PolarHBondContact O-N 3.17Å; L112-F114 VanDerWaalsContact C-N 3.34Å; L112-F114 PolarHBondContact O-N 3.07Å; F114-I116 PolarHBondContact O-N 3.25Å; F114-I117 PolarHBondContact O-N 3.37Å; F114-V118 HydrophobicContact CE1-CG2 4.19Å; F114-V118 HydrophobicContact CE2-CG2 4.33Å; F114-V118 HydrophobicContact CZ-CG2 4.05Å; F114-V118 WeakPolarHBondContact O-CG2 3.35Å; F114-V118 PolarHBondContact O-N 2.87Å; F114-V118 VanDerWaalsContact O-N 3.12Å
115	I	97.2	Very high	94.1	Very high	77 Å²	77	52.3 Å²	52.3	40%	0.395	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-43.8	176.9	-69	168.1	0	0	0	110.9	I111 L112 V113 V118 I119	I111-I115 HydrophobicContact CG2-CD1 3.8Å; I111-I115 HydrophobicContact CG2-CG1 4.5Å; I111-I115 VanDerWaalsContact O-CG1 3.31Å; I111-I115 WeakPolarHBondContact O-CG1 3.48Å; I111-I115 PolarHBondContact O-N 2.94Å; L112-I115 PolarHBondContact O-N 3.41Å; V113-I115 VanDerWaalsContact C-N 3.35Å; V113-I115 PolarHBondContact O-N 2.89Å; I115-V118 PolarHBondContact O-N 3.49Å; I115-I119 HydrophobicContact CG2-CD1 3.59Å; I115-I119 HydrophobicContact CG2-CG1 4.3Å; I115-I119 WeakPolarHBondContact O-CB 3.13Å; I115-I119 VanDerWaalsContact O-CG1 3.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.33Å; I115-I119 PolarHBondContact O-N 3.2Å
116	I	95.8	Very high	93.5	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.118	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-49.2	178.5	-67.9	160.8	0	0	0	110.2	L112 V113 F114 V118 I119 T120 A149 L150 T153	L112-I116 WeakPolarHBondContact O-CD1 3.5Å; L112-I116 WeakPolarHBondContact O-CG1 3.21Å; L112-I116 PolarHBondContact O-N 2.73Å; V113-I116 PolarHBondContact O-N 2.96Å; F114-I116 PolarHBondContact O-N 3.25Å; I116-V118 VanDerWaalsContact C-N 3.32Å; I116-V118 PolarHBondContact O-N 3.5Å; I116-I119 PolarHBondContact O-N 2.95Å; I116-T120 HydrophobicContact CG2-CG2 3.99Å; I116-T120 WeakPolarHBondContact O-CB 3.41Å; I116-T120 WeakPolarHBondContact O-CG2 3.36Å; I116-T120 PolarHBondContact O-N 3.34Å; I116-T120 PolarHBondContact O-OG1 3.37Å; I116-A149 HydrophobicContact CD1-CB 3.75Å; I116-A149 HydrophobicContact CG1-CB 4.15Å; I116-A149 HydrophobicContact CG2-CB 4.46Å; I116-L150 HydrophobicContact CB-CD2 4.19Å; I116-L150 HydrophobicContact CD1-CD2 4.28Å; I116-L150 HydrophobicContact CG2-CD2 3.78Å; I116-L150 HydrophobicContact CG2-CG 3.86Å; I116-T153 HydrophobicContact CD1-CG2 3.68Å
117	I	94.2	Very high	92.8	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.087	28%	0.28	C	S	.	.	H	α-helix	trans	-53	-50.1	177.2	-69	160.2	0	0	0	110.8	Y16 E19 L23 V113 F114 T120 C121	Y16-I117 HydrophobicContact CD1-CG2 4.24Å; Y16-I117 HydrophobicContact CE1-CG2 4.42Å; E19-I117 HydrophobicContact CB-CD1 3.86Å; E19-I117 HydrophobicContact CB-CG1 4.03Å; E19-I117 WeakPolarHBondContact OE2-CG1 3.28Å; L23-I117 HydrophobicContact CD1-CD1 3.56Å; L23-I117 HydrophobicContact CG-CD1 4.3Å; V113-I117 HydrophobicContact CG1-CD1 3.89Å; V113-I117 HydrophobicContact CG1-CG1 4.4Å; V113-I117 VanDerWaalsContact O-CG1 3.27Å; V113-I117 WeakPolarHBondContact O-CG1 3.37Å; V113-I117 PolarHBondContact O-N 3.49Å; F114-I117 PolarHBondContact O-N 3.37Å; I117-T120 PolarHBondContact O-OG1 2.99Å; I117-C121 WeakPolarHBondContact O-CB 3.33Å; I117-C121 PolarHBondContact O-N 2.85Å; I117-C121 PolarHBondContact O-SG 3.22Å
118	V	95.2	Very high	91.9	Very high	68 Å²	68	57.7 Å²	57.7	41%	0.412	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-47.9	-177.1	172.1	0	0	0	0	110.6	F114 I115 I116 V122	F114-V118 HydrophobicContact CE1-CG2 4.19Å; F114-V118 HydrophobicContact CE2-CG2 4.33Å; F114-V118 HydrophobicContact CZ-CG2 4.05Å; F114-V118 WeakPolarHBondContact O-CG2 3.35Å; F114-V118 PolarHBondContact O-N 2.87Å; F114-V118 VanDerWaalsContact O-N 3.12Å; I115-V118 PolarHBondContact O-N 3.49Å; I116-V118 VanDerWaalsContact C-N 3.32Å; I116-V118 PolarHBondContact O-N 3.5Å; V118-V122 WeakPolarHBondContact O-CB 3.14Å; V118-V122 WeakPolarHBondContact O-CG2 3.33Å; V118-V122 PolarHBondContact O-N 3.22Å
119	I	94.2	Very high	91	Very high	86 Å²	86	60.8 Å²	60.8	44%	0.441	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-51	-179.4	-69.4	174.8	0	0	0	110.5	I115 I116 C121 V122 F123	I115-I119 HydrophobicContact CG2-CD1 3.59Å; I115-I119 HydrophobicContact CG2-CG1 4.3Å; I115-I119 WeakPolarHBondContact O-CB 3.13Å; I115-I119 VanDerWaalsContact O-CG1 3.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.33Å; I115-I119 PolarHBondContact O-N 3.2Å; I116-I119 PolarHBondContact O-N 2.95Å; I119-C121 PolarHBondContact O-N 3.37Å; I119-V122 PolarHBondContact O-N 3.35Å; I119-F123 HydrophobicContact CG2-CD2 3.73Å; I119-F123 HydrophobicContact CG2-CE2 3.78Å; I119-F123 VanDerWaalsContact O-CD2 3.26Å; I119-F123 WeakPolarHBondContact O-CD2 3.19Å; I119-F123 PolarHBondContact O-N 3.04Å
120	T	92.2	Very high	90.2	Very high	7 Å²	7	65.6 Å²	65.6	4%	0.043	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-40.5	-177.7	59.3	0	0	0	0	111.4	Y16 I116 I117 V122 F123 I124 T142	Y16-T120 WeakPolarHBondContact CE1-OG1 3.45Å; Y16-T120 WeakPolarHBondContact OH-CB 3.22Å; Y16-T120 PolarHBondContact OH-OG1 3.02Å; I116-T120 HydrophobicContact CG2-CG2 3.99Å; I116-T120 WeakPolarHBondContact O-CB 3.41Å; I116-T120 WeakPolarHBondContact O-CG2 3.36Å; I116-T120 PolarHBondContact O-N 3.34Å; I116-T120 PolarHBondContact O-OG1 3.37Å; I117-T120 PolarHBondContact O-OG1 2.99Å; T120-V122 PolarHBondContact O-N 2.9Å; T120-F123 PolarHBondContact O-N 3.4Å; T120-I124 WeakPolarHBondContact O-CB 3.26Å; T120-I124 VanDerWaalsContact O-CG1 3.3Å; T120-I124 WeakPolarHBondContact O-CG1 3.34Å; T120-I124 PolarHBondContact O-N 3.34Å; T120-T142 HydrophobicContact CG2-CG2 4.48Å
121	C	90.3	Very high	88.9	Confident	35 Å²	35	68.2 Å²	68.2	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-48	174.5	-78.4	0	0	0	0	111.7	Y16 I117 I119 F123 I124 I125	Y16-C121 WeakPolarHBondContact CE1-SG 3.17Å; Y16-C121 PolarHBondContact OH-N 3.41Å; I117-C121 WeakPolarHBondContact O-CB 3.33Å; I117-C121 PolarHBondContact O-N 2.85Å; I117-C121 PolarHBondContact O-SG 3.22Å; I119-C121 PolarHBondContact O-N 3.37Å; C121-F123 PolarHBondContact O-N 3.12Å; C121-I124 PolarHBondContact O-N 3.29Å; C121-I125 WeakPolarHBondContact O-CB 3.28Å; C121-I125 VanDerWaalsContact O-CG1 3.24Å; C121-I125 WeakPolarHBondContact O-CG1 3.49Å; C121-I125 PolarHBondContact O-N 2.95Å
122	V	90.6	Very high	87.8	Confident	80 Å²	80	70.9 Å²	70.9	49%	0.485	35%	0.352	S	S	.	.	H	α-helix	trans	-60.3	-47.9	179.6	169.6	0	0	0	0	110.7	V118 I119 T120 I124 I125 V126	V118-V122 WeakPolarHBondContact O-CB 3.14Å; V118-V122 WeakPolarHBondContact O-CG2 3.33Å; V118-V122 PolarHBondContact O-N 3.22Å; I119-V122 PolarHBondContact O-N 3.35Å; T120-V122 PolarHBondContact O-N 2.9Å; V122-I124 PolarHBondContact O-N 2.91Å; V122-I125 PolarHBondContact O-N 3.05Å; V122-V126 HydrophobicContact CG1-CG2 4.27Å; V122-V126 VanDerWaalsContact O-CB 3.29Å; V122-V126 WeakPolarHBondContact O-CB 3.3Å; V122-V126 WeakPolarHBondContact O-CG2 3.32Å; V122-V126 PolarHBondContact O-N 3.38Å
123	F	88.2	Confident	86.7	Confident	96 Å²	96	74.7 Å²	74.7	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-40.3	178.9	-84.1	-70.5	0	0	0	112.7	I119 T120 C121 V126 T127 T142	I119-F123 HydrophobicContact CG2-CD2 3.73Å; I119-F123 HydrophobicContact CG2-CE2 3.78Å; I119-F123 VanDerWaalsContact O-CD2 3.26Å; I119-F123 WeakPolarHBondContact O-CD2 3.19Å; I119-F123 PolarHBondContact O-N 3.04Å; T120-F123 PolarHBondContact O-N 3.4Å; C121-F123 PolarHBondContact O-N 3.12Å; F123-V126 PolarHBondContact O-N 3.17Å; F123-T127 WeakPolarHBondContact O-CB 3.37Å; F123-T127 WeakPolarHBondContact O-CG2 3.35Å; F123-T127 PolarHBondContact O-N 3.07Å; F123-T127 PolarHBondContact O-OG1 3.35Å; F123-T142 HydrophobicContact CB-CG2 3.62Å
124	I	84.9	Confident	85.4	Confident	19 Å²	19	77.9 Å²	77.9	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-64.9	-45.2	176.8	-73.7	179.4	0	0	0	111.2	W8 Y16 T120 C121 V122 V126 T127 W128 T142	W8-I124 HydrophobicContact CH2-CG1 4.49Å; W8-I124 HydrophobicContact CH2-CG2 3.81Å; W8-I124 HydrophobicContact CZ3-CG2 4.45Å; Y16-I124 HydrophobicContact CE2-CD1 4.29Å; Y16-I124 WeakPolarHBondContact OH-CD1 3.36Å; T120-I124 WeakPolarHBondContact O-CB 3.26Å; T120-I124 VanDerWaalsContact O-CG1 3.3Å; T120-I124 WeakPolarHBondContact O-CG1 3.34Å; T120-I124 PolarHBondContact O-N 3.34Å; C121-I124 PolarHBondContact O-N 3.29Å; V122-I124 PolarHBondContact O-N 2.91Å; I124-V126 PolarHBondContact O-N 3.23Å; I124-T127 WeakPolarHBondContact CA-OG1 3.38Å; I124-T127 PolarHBondContact O-OG1 2.95Å; I124-W128 VanDerWaalsContact O-CB 3.3Å; I124-W128 WeakPolarHBondContact O-CB 3.2Å; I124-W128 PolarHBondContact O-N 2.74Å; I124-T142 HydrophobicContact CG1-CG2 4.02Å
125	I	84.9	Confident	84.3	Confident	89 Å²	89	80.2 Å²	80.2	46%	0.456	39%	0.389	S	S	.	.	H	α-helix	trans	-64.7	-42.8	178.8	-68.6	166.9	0	0	0	110.8	C121 V122 W128 K129	C121-I125 WeakPolarHBondContact O-CB 3.28Å; C121-I125 VanDerWaalsContact O-CG1 3.24Å; C121-I125 WeakPolarHBondContact O-CG1 3.49Å; C121-I125 PolarHBondContact O-N 2.95Å; V122-I125 PolarHBondContact O-N 3.05Å; I125-W128 PolarHBondContact O-N 3.49Å; I125-K129 HydrophobicContact CG2-CD 4.26Å; I125-K129 WeakPolarHBondContact O-CB 3.33Å; I125-K129 PolarHBondContact O-N 3.31Å
126	V	84.9	Confident	82.9	Confident	56 Å²	56	79.6 Å²	79.6	34%	0.339	39%	0.391	S	S	.	.	H	α-helix	trans	-67.6	-44	-179	168	0	0	0	0	111.3	V122 F123 I124 W128 K129 K130 F134	V122-V126 HydrophobicContact CG1-CG2 4.27Å; V122-V126 VanDerWaalsContact O-CB 3.29Å; V122-V126 WeakPolarHBondContact O-CB 3.3Å; V122-V126 WeakPolarHBondContact O-CG2 3.32Å; V122-V126 PolarHBondContact O-N 3.38Å; F123-V126 PolarHBondContact O-N 3.17Å; I124-V126 PolarHBondContact O-N 3.23Å; V126-W128 PolarHBondContact O-N 2.94Å; V126-K129 PolarHBondContact O-N 3.21Å; V126-K130 PolarHBondContact O-N 3.1Å; V126-F134 HydrophobicContact CG1-CD2 4.36Å; V126-F134 HydrophobicContact CG1-CE2 3.32Å; V126-F134 HydrophobicContact CG1-CZ 3.55Å
127	T	80.6	Confident	82.1	Confident	16 Å²	16	84.5 Å²	84.5	10%	0.098	41%	0.408	C	S	.	.	H	α-helix	trans	-64.8	-30.7	175.8	52.5	0	0	0	0	112.2	F123 I124 F134 T138	F123-T127 WeakPolarHBondContact O-CB 3.37Å; F123-T127 WeakPolarHBondContact O-CG2 3.35Å; F123-T127 PolarHBondContact O-N 3.07Å; F123-T127 PolarHBondContact O-OG1 3.35Å; I124-T127 WeakPolarHBondContact CA-OG1 3.38Å; I124-T127 PolarHBondContact O-OG1 2.95Å; T127-F134 HydrophobicContact CG2-CB 4.17Å; T127-F134 HydrophobicContact CG2-CD1 4.15Å; T127-F134 HydrophobicContact CG2-CD2 4.19Å; T127-F134 HydrophobicContact CG2-CG 3.89Å; T127-T138 HydrophobicContact CG2-CG2 3.61Å
128	W	75.6	Confident	81.6	Confident	154 Å²	154	85.1 Å²	85.1	58%	0.583	41%	0.412	S	S	*	.	H	α-helix	trans	-74.1	-40.7	174.6	-173.6	71.4	0	0	0	113.2	I124 I125 V126	I124-W128 VanDerWaalsContact O-CB 3.3Å; I124-W128 WeakPolarHBondContact O-CB 3.2Å; I124-W128 PolarHBondContact O-N 2.74Å; I125-W128 PolarHBondContact O-N 3.49Å; V126-W128 PolarHBondContact O-N 2.94Å
129	K	78.7	Confident	81	Confident	149 Å²	149	82.3 Å²	82.3	65%	0.648	40%	0.396	S	S	*	.	H	α-helix	trans	-78.3	-29.2	-179.3	-76	-170.4	175	-175.9	0	114.2	I125 V126	I125-K129 HydrophobicContact CG2-CD 4.26Å; I125-K129 WeakPolarHBondContact O-CB 3.33Å; I125-K129 PolarHBondContact O-N 3.31Å; V126-K129 PolarHBondContact O-N 3.21Å
130	K	79.2	Confident	80.6	Confident	101 Å²	101	79.4 Å²	79.4	44%	0.439	38%	0.38	S	S	.	.			trans	-133.3	63.6	-175.4	-63	-174	-178.7	178.3	0	111.1	V126 E132 K133	V126-K130 PolarHBondContact O-N 3.1Å; K130-E132 PolarHBondContact O-N 3.09Å; K130-K133 HydrophobicContact CB-CG 4.4Å; K130-K133 HydrophobicContact CD-CD 4.18Å; K130-K133 PolarHBondContact O-N 2.6Å
131	P	71.5	Confident	80.4	Confident	78 Å²	78	85.8 Å²	85.8	51%	0.506	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-61.1	-30.2	-176.4	26.9	-34.8	0	0	0	112.4	K133 F134	P131-K133 PolarHBondContact O-N 3.02Å; P131-F134 PolarHBondContact O-N 3.1Å
132	E	74.3	Confident	80.4	Confident	149 Å²	149	85.1 Å²	85.1	70%	0.696	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-65.8	-22.3	-179.4	66.5	-77.4	161.7	0	0	114.5	K130	K130-E132 PolarHBondContact O-N 3.09Å
133	K	74.6	Confident	80.4	Confident	145 Å²	145	81.3 Å²	81.3	63%	0.63	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-86.1	-18	-178.8	-66	-163.3	178.3	-159.6	0	113.8	K130 P131	K130-K133 HydrophobicContact CB-CG 4.4Å; K130-K133 HydrophobicContact CD-CD 4.18Å; K130-K133 PolarHBondContact O-N 2.6Å; P131-K133 PolarHBondContact O-N 3.02Å
134	F	69.5	Low	80.6	Confident	67 Å²	67	80.5 Å²	80.5	29%	0.294	38%	0.376	S	S	.	.	S	Bend	trans	-112.8	153.5	-172.3	-71.7	-85.7	0	0	0	111.5	V126 T127 P131 T138	V126-F134 HydrophobicContact CG1-CD2 4.36Å; V126-F134 HydrophobicContact CG1-CE2 3.32Å; V126-F134 HydrophobicContact CG1-CZ 3.55Å; T127-F134 HydrophobicContact CG2-CB 4.17Å; T127-F134 HydrophobicContact CG2-CD1 4.15Å; T127-F134 HydrophobicContact CG2-CD2 4.19Å; T127-F134 HydrophobicContact CG2-CG 3.89Å; P131-F134 PolarHBondContact O-N 3.1Å; F134-T138 HydrophobicContact CB-CG2 4.46Å; F134-T138 HydrophobicContact CD1-CG2 3.82Å; F134-T138 HydrophobicContact CG-CG2 4.44Å
135	K	74.4	Confident	81	Confident	172 Å²	172	81.6 Å²	81.6	75%	0.748	39%	0.392	S	S	*	.			trans	-63.5	149.1	174.4	-71.1	-176.9	179.8	179.1	0	109	R137 T138	K135-R137 PolarHBondContact O-N 3.47Å; K135-T138 PolarHBondContact N-OG1 3.39Å; K135-T138 PolarHBondContact O-N 2.79Å; K135-T138 PolarHBondContact O-OG1 2.97Å; K135-T138 VanDerWaalsContact O-OG1 3.12Å
136	P	66.9	Low	81.5	Confident	65 Å²	65	77.5 Å²	77.5	42%	0.422	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.4	-173	21.9	-34.1	0	0	0	114.9	P228 P229	P136-P228 HydrophobicContact CB-CB 4.16Å; P136-P229 HydrophobicContact CB-CG 4.1Å; P136-P229 WeakPolarHBondContact O-CD 3.18Å
137	R	79.3	Confident	82	Confident	126 Å²	126	74.9 Å²	74.9	48%	0.475	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	7.5	179.9	-61.6	-167.6	178.7	-179.7	-1.5	114.3	K135 A139 Q140 Y141	K135-R137 PolarHBondContact O-N 3.47Å; R137-A139 VanDerWaalsContact C-N 3.35Å; R137-A139 PolarHBondContact O-N 3.32Å; R137-Q140 WeakPolarHBondContact O-CB 3.46Å; R137-Q140 PolarHBondContact O-N 3.28Å; R137-Y141 HydrophobicContact CB-CD2 4Å; R137-Y141 HydrophobicContact CB-CE2 3.56Å; R137-Y141 WeakPolarHBondContact O-CD2 3.48Å; R137-Y141 PolarHBondContact O-N 3.39Å; R137-Y141 VanDerWaalsContact O-N 3.09Å
138	T	83.2	Confident	82.8	Confident	30 Å²	30	75.7 Å²	75.7	18%	0.184	37%	0.365	C	S	.	.	H	α-helix	trans	-59.1	-45.1	-175.8	-62.4	0	0	0	0	112	T127 F134 K135 Q140 Y141 T142	T127-T138 HydrophobicContact CG2-CG2 3.61Å; F134-T138 HydrophobicContact CB-CG2 4.46Å; F134-T138 HydrophobicContact CD1-CG2 3.82Å; F134-T138 HydrophobicContact CG-CG2 4.44Å; K135-T138 PolarHBondContact N-OG1 3.39Å; K135-T138 PolarHBondContact O-N 2.79Å; K135-T138 PolarHBondContact O-OG1 2.97Å; K135-T138 VanDerWaalsContact O-OG1 3.12Å; T138-Q140 VanDerWaalsContact C-N 3.33Å; T138-Q140 PolarHBondContact O-N 3.45Å; T138-Y141 PolarHBondContact O-N 3.32Å; T138-T142 PolarHBondContact O-N 3.36Å; T138-T142 PolarHBondContact O-OG1 3.17Å
139	A	83.3	Confident	83.8	Confident	8 Å²	8	70.1 Å²	70.1	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-34.5	178.7	0	0	0	0	0	113.5	W8 R137 T142 A143 Q226	W8-A139 HydrophobicContact CH2-CB 4.4Å; W8-A139 HydrophobicContact CZ2-CB 4.05Å; R137-A139 VanDerWaalsContact C-N 3.35Å; R137-A139 PolarHBondContact O-N 3.32Å; A139-T142 PolarHBondContact O-N 2.92Å; A139-A143 PolarHBondContact O-N 2.84Å; A139-Q226 VanDerWaalsContact CB-NE2 3.31Å
140	Q	85.5	Confident	84.7	Confident	25 Å²	25	63 Å²	63	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-50.1	172	-76.5	171.5	-17.3	0	0	111.1	R137 T138 T142 A143 L144 S223 Q226	R137-Q140 WeakPolarHBondContact O-CB 3.46Å; R137-Q140 PolarHBondContact O-N 3.28Å; T138-Q140 VanDerWaalsContact C-N 3.33Å; T138-Q140 PolarHBondContact O-N 3.45Å; Q140-T142 VanDerWaalsContact C-N 3.3Å; Q140-T142 PolarHBondContact O-N 3.24Å; Q140-A143 PolarHBondContact O-N 2.97Å; Q140-L144 WeakPolarHBondContact O-CB 3.34Å; Q140-L144 PolarHBondContact O-N 3.06Å; Q140-S223 WeakPolarHBondContact O-CB 3.44Å; Q140-Q226 HydrophobicContact CG-CB 3.56Å; Q140-Q226 HydrophobicContact CG-CG 3.8Å; Q140-Q226 PolarHBondContact NE2-O 3.4Å
141	Y	89	Confident	85.6	Confident	141 Å²	141	63.1 Å²	63.1	55%	0.553	32%	0.318	S	S	*	.	H	α-helix	trans	-67	-32.9	-179.7	-63.8	-48.3	0	0	0	112.3	R137 T138 G145	R137-Y141 HydrophobicContact CB-CD2 4Å; R137-Y141 HydrophobicContact CB-CE2 3.56Å; R137-Y141 WeakPolarHBondContact O-CD2 3.48Å; R137-Y141 PolarHBondContact O-N 3.39Å; R137-Y141 VanDerWaalsContact O-N 3.09Å; T138-Y141 PolarHBondContact O-N 3.32Å; Y141-G145 PolarHBondContact O-N 2.89Å
142	T	89.7	Confident	86.8	Confident	21 Å²	21	65.5 Å²	65.5	13%	0.129	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-45.9	172.2	-59.7	0	0	0	0	111.4	T120 F123 I124 T138 A139 Q140 G146	T120-T142 HydrophobicContact CG2-CG2 4.48Å; F123-T142 HydrophobicContact CB-CG2 3.62Å; I124-T142 HydrophobicContact CG1-CG2 4.02Å; T138-T142 PolarHBondContact O-N 3.36Å; T138-T142 PolarHBondContact O-OG1 3.17Å; A139-T142 PolarHBondContact O-N 2.92Å; Q140-T142 VanDerWaalsContact C-N 3.3Å; Q140-T142 PolarHBondContact O-N 3.24Å; T142-G146 PolarHBondContact O-N 3.43Å
143	A	90	Very high	87.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-40.5	177.2	0	0	0	0	0	112.1	A139 Q140 G147 Q219	A139-A143 PolarHBondContact O-N 2.84Å; Q140-A143 PolarHBondContact O-N 2.97Å; A143-G147 PolarHBondContact O-N 3.46Å; A143-Q219 WeakPolarHBondContact O-CB 3.14Å; A143-Q219 PolarHBondContact O-OE1 3.42Å
144	L	93	Very high	88.9	Confident	80 Å²	80	51.9 Å²	51.9	42%	0.419	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-47.1	175.8	-178.1	62.9	0	0	0	111.6	Q140 G147 A148 M220	Q140-L144 WeakPolarHBondContact O-CB 3.34Å; Q140-L144 PolarHBondContact O-N 3.06Å; L144-G147 PolarHBondContact O-N 3.45Å; L144-A148 VanDerWaalsContact O-CB 3.31Å; L144-A148 WeakPolarHBondContact O-CB 3.46Å; L144-A148 PolarHBondContact O-N 3.36Å; L144-M220 HydrophobicContact CD1-CG 4.44Å
145	G	93.9	Very high	90.2	Very high	41 Å²	41	51.6 Å²	51.6	42%	0.423	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-41.5	179.2	0	0	0	0	0	112.4	Y141 A149	Y141-G145 PolarHBondContact O-N 2.89Å; G145-A149 VanDerWaalsContact O-CB 3.28Å; G145-A149 WeakPolarHBondContact O-CB 3.45Å; G145-A149 PolarHBondContact O-N 2.91Å
146	G	94.4	Very high	91.3	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-52.3	172.7	0	0	0	0	0	111.8	T142 A148 A149 L150	T142-G146 PolarHBondContact O-N 3.43Å; G146-A148 PolarHBondContact O-N 3.43Å; G146-A149 PolarHBondContact O-N 3.2Å; G146-L150 VanDerWaalsContact O-CG 3.29Å; G146-L150 WeakPolarHBondContact O-CG 3.31Å; G146-L150 PolarHBondContact O-N 3.08Å
147	G	95.5	Very high	92.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.1	-45.2	177.7	0	0	0	0	0	112.9	A143 L144 L150 W151 S216	A143-G147 PolarHBondContact O-N 3.46Å; L144-G147 PolarHBondContact O-N 3.45Å; G147-L150 PolarHBondContact O-N 3.09Å; G147-W151 PolarHBondContact O-N 2.86Å; G147-S216 WeakPolarHBondContact O-CB 3.45Å; G147-S216 PolarHBondContact O-OG 2.79Å
148	A	96.9	Very high	93.6	Very high	34 Å²	34	39.9 Å²	39.9	28%	0.281	21%	0.209	S	C	.	.	H	α-helix	trans	-64.6	-43.2	176.6	0	0	0	0	0	112.2	L144 G146 L150 W151 F152	L144-A148 VanDerWaalsContact O-CB 3.31Å; L144-A148 WeakPolarHBondContact O-CB 3.46Å; L144-A148 PolarHBondContact O-N 3.36Å; G146-A148 PolarHBondContact O-N 3.43Å; A148-L150 PolarHBondContact O-N 3.45Å; A148-W151 WeakPolarHBondContact O-CB 3.49Å; A148-W151 PolarHBondContact O-N 3.25Å; A148-F152 WeakPolarHBondContact O-CD2 3.3Å; A148-F152 PolarHBondContact O-N 3.36Å; A148-F152 VanDerWaalsContact O-N 3.08Å
149	A	97.1	Very high	94.3	Very high	36 Å²	36	42 Å²	42	30%	0.298	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-43.6	176.3	0	0	0	0	0	111.6	I116 G145 G146 W151 F152 T153	I116-A149 HydrophobicContact CD1-CB 3.75Å; I116-A149 HydrophobicContact CG1-CB 4.15Å; I116-A149 HydrophobicContact CG2-CB 4.46Å; G145-A149 VanDerWaalsContact O-CB 3.28Å; G145-A149 WeakPolarHBondContact O-CB 3.45Å; G145-A149 PolarHBondContact O-N 2.91Å; G146-A149 PolarHBondContact O-N 3.2Å; A149-W151 VanDerWaalsContact C-N 3.3Å; A149-W151 PolarHBondContact O-N 3.1Å; A149-F152 PolarHBondContact O-N 3.04Å; A149-T153 PolarHBondContact O-N 3.35Å; A149-T153 PolarHBondContact O-OG1 2.94Å
150	L	97.1	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-40.5	175.3	-69.1	169.4	0	0	0	111.6	E19 V113 I116 G146 G147 A148 F152 T153 G154 I212 Q219	E19-L150 VanDerWaalsContact CD-CD1 3.45Å; E19-L150 HydrophobicContact CG-CD1 4Å; E19-L150 HydrophobicContact CG-CD2 4.34Å; E19-L150 VanDerWaalsContact OE1-CD1 3.25Å; E19-L150 WeakPolarHBondContact OE1-CD1 3.34Å; V113-L150 HydrophobicContact CG1-CD2 4.05Å; V113-L150 HydrophobicContact CG2-CD2 4.3Å; I116-L150 HydrophobicContact CB-CD2 4.19Å; I116-L150 HydrophobicContact CD1-CD2 4.28Å; I116-L150 HydrophobicContact CG2-CD2 3.78Å; I116-L150 HydrophobicContact CG2-CG 3.86Å; G146-L150 VanDerWaalsContact O-CG 3.29Å; G146-L150 WeakPolarHBondContact O-CG 3.31Å; G146-L150 PolarHBondContact O-N 3.08Å; G147-L150 PolarHBondContact O-N 3.09Å; A148-L150 PolarHBondContact O-N 3.45Å; L150-F152 PolarHBondContact O-N 3.49Å; L150-T153 VanDerWaalsContact CA-OG1 3.27Å; L150-T153 WeakPolarHBondContact CA-OG1 3.48Å; L150-T153 PolarHBondContact O-N 3.03Å; L150-T153 PolarHBondContact O-OG1 3.07Å; L150-G154 PolarHBondContact O-N 3.42Å; L150-I212 HydrophobicContact CB-CD1 4.18Å; L150-I212 HydrophobicContact CD2-CD1 3.65Å; L150-I212 HydrophobicContact CG-CD1 4.41Å; L150-Q219 HydrophobicContact CD1-CG 4.43Å
151	W	97.4	Very high	95.5	Very high	103 Å²	103	40.5 Å²	40.5	39%	0.39	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-49	175.8	-169.2	88.6	0	0	0	111.5	G147 A148 A149 T153 G154 L155 Y213 S216	G147-W151 PolarHBondContact O-N 2.86Å; A148-W151 WeakPolarHBondContact O-CB 3.49Å; A148-W151 PolarHBondContact O-N 3.25Å; A149-W151 VanDerWaalsContact C-N 3.3Å; A149-W151 PolarHBondContact O-N 3.1Å; W151-T153 PolarHBondContact O-N 2.96Å; W151-G154 PolarHBondContact O-N 3.01Å; W151-L155 HydrophobicContact CH2-CD2 4.38Å; W151-L155 HydrophobicContact CZ3-CD2 4.16Å; W151-L155 PolarHBondContact O-N 2.75Å; W151-Y213 AromaticContact CD1-CD1 3.66Å; W151-Y213 AromaticContact CD1-CE1 3.73Å; W151-Y213 HydrophobicContact CD2-CE1 4.43Å; W151-Y213 HydrophobicContact CG-CD1 4.39Å; W151-Y213 HydrophobicContact CG-CE1 4.18Å; W151-Y213 AromaticContact NE1-CD1 3.88Å; W151-Y213 AromaticContact NE1-CE1 3.67Å; W151-S216 WeakPolarHBondContact CB-OG 3.42Å; W151-S216 PolarHBondContact N-OG 3.4Å
152	F	97.3	Very high	95.8	Very high	128 Å²	128	37.9 Å²	37.9	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-64	-39.1	177.9	-77.5	-66.4	0	0	0	112.3	A148 A149 L150 G154 L155 I156	A148-F152 WeakPolarHBondContact O-CD2 3.3Å; A148-F152 PolarHBondContact O-N 3.36Å; A148-F152 VanDerWaalsContact O-N 3.08Å; A149-F152 PolarHBondContact O-N 3.04Å; L150-F152 PolarHBondContact O-N 3.49Å; F152-G154 VanDerWaalsContact C-N 3.34Å; F152-L155 WeakPolarHBondContact O-CB 3.2Å; F152-L155 PolarHBondContact O-N 2.71Å; F152-I156 PolarHBondContact O-N 3.38Å
153	T	96.5	Very high	96.1	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-37.2	173.4	54.4	0	0	0	0	112.2	T109 L112 V113 I116 A149 L150 W151 L155 I156 Y157	T109-T153 WeakPolarHBondContact CG2-O 3.37Å; L112-T153 HydrophobicContact CB-CG2 3.7Å; L112-T153 HydrophobicContact CD1-CG2 4.03Å; V113-T153 WeakPolarHBondContact CG2-OG1 3.35Å; I116-T153 HydrophobicContact CD1-CG2 3.68Å; A149-T153 PolarHBondContact O-N 3.35Å; A149-T153 PolarHBondContact O-OG1 2.94Å; L150-T153 VanDerWaalsContact CA-OG1 3.27Å; L150-T153 WeakPolarHBondContact CA-OG1 3.48Å; L150-T153 PolarHBondContact O-N 3.03Å; L150-T153 PolarHBondContact O-OG1 3.07Å; W151-T153 PolarHBondContact O-N 2.96Å; T153-L155 VanDerWaalsContact C-N 3.26Å; T153-L155 PolarHBondContact O-N 2.89Å; T153-I156 WeakPolarHBondContact O-CB 3.4Å; T153-I156 PolarHBondContact O-N 3.21Å; T153-I156 VanDerWaalsContact O-N 3.17Å; T153-Y157 PolarHBondContact O-N 2.88Å; T153-Y157 VanDerWaalsContact O-N 3.08Å
154	G	96.9	Very high	96.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-35.8	172.9	0	0	0	0	0	112.3	L150 W151 F152 Y157 F158 Y213	L150-G154 PolarHBondContact O-N 3.42Å; W151-G154 PolarHBondContact O-N 3.01Å; F152-G154 VanDerWaalsContact C-N 3.34Å; G154-Y157 PolarHBondContact O-N 3.36Å; G154-F158 WeakPolarHBondContact O-CB 3.4Å; G154-F158 PolarHBondContact O-N 2.84Å; G154-Y213 VanDerWaalsContact C-OH 3.28Å; G154-Y213 PolarHBondContact O-OH 2.86Å
155	L	97.3	Very high	96.3	Very high	61 Å²	61	40.3 Å²	40.3	32%	0.319	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-41.6	174.4	-174.4	66.9	0	0	0	112.1	W151 F152 T153 Y157 F158 I159 Y213	W151-L155 HydrophobicContact CH2-CD2 4.38Å; W151-L155 HydrophobicContact CZ3-CD2 4.16Å; W151-L155 PolarHBondContact O-N 2.75Å; F152-L155 WeakPolarHBondContact O-CB 3.2Å; F152-L155 PolarHBondContact O-N 2.71Å; T153-L155 VanDerWaalsContact C-N 3.26Å; T153-L155 PolarHBondContact O-N 2.89Å; L155-Y157 VanDerWaalsContact C-N 3.33Å; L155-Y157 PolarHBondContact O-N 2.97Å; L155-F158 HydrophobicContact CD1-CD1 4.48Å; L155-F158 PolarHBondContact O-N 3.36Å; L155-I159 HydrophobicContact CG-CD1 4.17Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.36Å; L155-I159 PolarHBondContact O-N 3.1Å; L155-Y213 VanDerWaalsContact CA-OH 3.26Å; L155-Y213 WeakPolarHBondContact CA-OH 3.5Å; L155-Y213 PolarHBondContact N-OH 3.39Å
156	I	97.4	Very high	96.3	Very high	53 Å²	53	42.3 Å²	42.3	27%	0.272	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-45.6	175	-62	171.7	0	0	0	110.3	L105 T109 L112 F152 T153 I159 S160	L105-I156 HydrophobicContact CB-CG2 4.17Å; L105-I156 HydrophobicContact CD2-CG2 3.87Å; T109-I156 WeakPolarHBondContact OG1-CG2 3.02Å; L112-I156 HydrophobicContact CD1-CD1 4.35Å; F152-I156 PolarHBondContact O-N 3.38Å; T153-I156 WeakPolarHBondContact O-CB 3.4Å; T153-I156 PolarHBondContact O-N 3.21Å; T153-I156 VanDerWaalsContact O-N 3.17Å; I156-I159 PolarHBondContact O-N 3.42Å; I156-S160 PolarHBondContact O-N 3.26Å
157	Y	97.6	Very high	96.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-44.3	176.5	-162.2	-97.1	0	0	0	112	F22 A26 Q106 T109 T153 G154 L155 I159 S160 L161 A205 A208 C209	F22-Y157 HydrophobicContact CE2-CD1 4.44Å; F22-Y157 HydrophobicContact CE2-CD2 4.23Å; F22-Y157 HydrophobicContact CE2-CE2 4.33Å; F22-Y157 HydrophobicContact CE2-CG 4.29Å; F22-Y157 HydrophobicContact CZ-CD2 4.21Å; F22-Y157 HydrophobicContact CZ-CE2 4.47Å; A26-Y157 HydrophobicContact CB-CE2 4.25Å; Q106-Y157 HydrophobicContact CB-CD2 4.43Å; Q106-Y157 HydrophobicContact CB-CE2 4.13Å; Q106-Y157 HydrophobicContact CG-CD2 3.97Å; Q106-Y157 HydrophobicContact CG-CE2 3.69Å; T109-Y157 HydrophobicContact CG2-CD2 4.08Å; T109-Y157 HydrophobicContact CG2-CG 4.41Å; T153-Y157 PolarHBondContact O-N 2.88Å; T153-Y157 VanDerWaalsContact O-N 3.08Å; G154-Y157 PolarHBondContact O-N 3.36Å; L155-Y157 VanDerWaalsContact C-N 3.33Å; L155-Y157 PolarHBondContact O-N 2.97Å; Y157-I159 PolarHBondContact O-N 2.98Å; Y157-S160 WeakPolarHBondContact O-CB 3.47Å; Y157-S160 PolarHBondContact O-N 3.48Å; Y157-S160 VanDerWaalsContact O-N 3.1Å; Y157-S160 PolarHBondContact O-OG 3.19Å; Y157-L161 HydrophobicContact CD1-CD1 4.36Å; Y157-L161 HydrophobicContact CD1-CG 4.48Å; Y157-L161 HydrophobicContact CE1-CD1 4.23Å; Y157-L161 HydrophobicContact CE1-CD2 4.33Å; Y157-L161 HydrophobicContact CE1-CG 4.36Å; Y157-L161 PolarHBondContact O-N 2.82Å; Y157-A205 WeakPolarHBondContact CE1-O 3.39Å; Y157-A208 HydrophobicContact CE1-CB 4.42Å; Y157-C209 HydrophobicContact CD1-CB 3.9Å; Y157-C209 HydrophobicContact CE1-CB 4.17Å
158	F	97.4	Very high	95.9	Very high	64 Å²	64	43.2 Å²	43.2	28%	0.281	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-44.5	177	176.9	-102.5	0	0	0	112.1	G154 L155 S160 L161 L162 W206	G154-F158 WeakPolarHBondContact O-CB 3.4Å; G154-F158 PolarHBondContact O-N 2.84Å; L155-F158 HydrophobicContact CD1-CD1 4.48Å; L155-F158 PolarHBondContact O-N 3.36Å; F158-S160 VanDerWaalsContact C-N 3.26Å; F158-S160 PolarHBondContact O-N 3.3Å; F158-L161 WeakPolarHBondContact O-CB 3.39Å; F158-L161 PolarHBondContact O-N 2.8Å; F158-L162 HydrophobicContact CD1-CD1 4.15Å; F158-L162 HydrophobicContact CD1-CG 4.49Å; F158-L162 HydrophobicContact CE1-CD1 3.59Å; F158-L162 HydrophobicContact CE1-CG 4.09Å; F158-L162 HydrophobicContact CZ-CD1 4.11Å; F158-L162 HydrophobicContact CZ-CD2 4.24Å; F158-L162 HydrophobicContact CZ-CG 4.25Å; F158-L162 PolarHBondContact O-N 3.28Å; F158-L162 VanDerWaalsContact O-N 3.12Å; F158-W206 HydrophobicContact CD2-CH2 4.14Å; F158-W206 AromaticContact CD2-CZ3 3.95Å; F158-W206 HydrophobicContact CD2-CZ3 3.95Å; F158-W206 AromaticContact CE2-CH2 3.61Å; F158-W206 HydrophobicContact CE2-CH2 3.61Å; F158-W206 AromaticContact CE2-CZ3 3.68Å; F158-W206 HydrophobicContact CE2-CZ3 3.68Å
159	I	97.4	Very high	95.5	Very high	74 Å²	74	43.6 Å²	43.6	38%	0.379	21%	0.212	S	C	.	.	H	α-helix	trans	-59.1	-39.7	174.6	-69.6	165.4	0	0	0	110.5	L155 I156 Y157 L161 L162 I163	L155-I159 HydrophobicContact CG-CD1 4.17Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.36Å; L155-I159 PolarHBondContact O-N 3.1Å; I156-I159 PolarHBondContact O-N 3.42Å; Y157-I159 PolarHBondContact O-N 2.98Å; I159-L161 VanDerWaalsContact C-N 3.26Å; I159-L161 PolarHBondContact O-N 2.93Å; I159-L162 PolarHBondContact O-N 3.33Å; I159-L162 VanDerWaalsContact O-N 3.17Å; I159-I163 HydrophobicContact CG2-CD1 3.82Å; I159-I163 HydrophobicContact CG2-CG1 4.3Å; I159-I163 WeakPolarHBondContact O-CG1 3.26Å; I159-I163 PolarHBondContact O-N 2.97Å
160	S	96.8	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-35.6	176	86	0	0	0	0	113	Q106 I156 Y157 F158 I163 Y164	Q106-S160 WeakPolarHBondContact CG-OG 3.11Å; Q106-S160 PolarHBondContact NE2-OG 3.14Å; Q106-S160 VanDerWaalsContact NE2-OG 3.09Å; I156-S160 PolarHBondContact O-N 3.26Å; Y157-S160 WeakPolarHBondContact O-CB 3.47Å; Y157-S160 PolarHBondContact O-N 3.48Å; Y157-S160 VanDerWaalsContact O-N 3.1Å; Y157-S160 PolarHBondContact O-OG 3.19Å; F158-S160 VanDerWaalsContact C-N 3.26Å; F158-S160 PolarHBondContact O-N 3.3Å; S160-I163 PolarHBondContact O-N 3.47Å; S160-Y164 PolarHBondContact O-N 3.37Å
161	L	96.3	Very high	94.5	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-70.3	-39.7	176.3	-60.8	-179.7	0	0	0	111.4	W35 Y157 F158 I159 I163 Y164 Y165 A205 W206 C209	W35-L161 HydrophobicContact CH2-CD2 3.96Å; W35-L161 HydrophobicContact CZ3-CD2 4.29Å; Y157-L161 HydrophobicContact CD1-CD1 4.36Å; Y157-L161 HydrophobicContact CD1-CG 4.48Å; Y157-L161 HydrophobicContact CE1-CD1 4.23Å; Y157-L161 HydrophobicContact CE1-CD2 4.33Å; Y157-L161 HydrophobicContact CE1-CG 4.36Å; Y157-L161 PolarHBondContact O-N 2.82Å; F158-L161 WeakPolarHBondContact O-CB 3.39Å; F158-L161 PolarHBondContact O-N 2.8Å; I159-L161 VanDerWaalsContact C-N 3.26Å; I159-L161 PolarHBondContact O-N 2.93Å; L161-I163 VanDerWaalsContact C-N 3.35Å; L161-Y164 WeakPolarHBondContact O-CB 3.48Å; L161-Y164 PolarHBondContact O-N 3.05Å; L161-Y165 WeakPolarHBondContact O-CD2 3.39Å; L161-Y165 PolarHBondContact O-N 3.16Å; L161-Y165 VanDerWaalsContact O-N 3.14Å; L161-A205 HydrophobicContact CD2-CB 3.79Å; L161-W206 HydrophobicContact CD1-CD2 4Å; L161-W206 HydrophobicContact CD1-CE3 4.18Å; L161-W206 HydrophobicContact CD1-CG 4.39Å; L161-C209 HydrophobicContact CD1-CB 4.06Å
162	L	96.5	Very high	93.9	Very high	86 Å²	86	41.6 Å²	41.6	45%	0.45	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-43.3	174.3	-65.6	-177.9	0	0	0	111.6	F158 I159 Y164 Y165 E166	F158-L162 HydrophobicContact CD1-CD1 4.15Å; F158-L162 HydrophobicContact CD1-CG 4.49Å; F158-L162 HydrophobicContact CE1-CD1 3.59Å; F158-L162 HydrophobicContact CE1-CG 4.09Å; F158-L162 HydrophobicContact CZ-CD1 4.11Å; F158-L162 HydrophobicContact CZ-CD2 4.24Å; F158-L162 HydrophobicContact CZ-CG 4.25Å; F158-L162 PolarHBondContact O-N 3.28Å; F158-L162 VanDerWaalsContact O-N 3.12Å; I159-L162 PolarHBondContact O-N 3.33Å; I159-L162 VanDerWaalsContact O-N 3.17Å; L162-Y164 VanDerWaalsContact C-N 3.25Å; L162-Y164 PolarHBondContact O-N 3.41Å; L162-Y165 PolarHBondContact O-N 2.94Å; L162-E166 PolarHBondContact O-N 2.89Å
163	I	95.5	Very high	93.1	Very high	42 Å²	42	44.1 Å²	44.1	22%	0.215	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-35.8	175.6	-63.1	167.2	0	0	0	110.6	M98 I102 L105 I159 S160 L161 E166 N167	M98-I163 HydrophobicContact CB-CG2 3.8Å; M98-I163 HydrophobicContact CG-CG2 3.87Å; I102-I163 HydrophobicContact CD1-CG2 4.07Å; I102-I163 HydrophobicContact CG1-CB 3.99Å; I102-I163 HydrophobicContact CG1-CG2 3.61Å; L105-I163 HydrophobicContact CD1-CD1 3.66Å; I159-I163 HydrophobicContact CG2-CD1 3.82Å; I159-I163 HydrophobicContact CG2-CG1 4.3Å; I159-I163 WeakPolarHBondContact O-CG1 3.26Å; I159-I163 PolarHBondContact O-N 2.97Å; S160-I163 PolarHBondContact O-N 3.47Å; L161-I163 VanDerWaalsContact C-N 3.35Å; I163-E166 PolarHBondContact O-N 3Å; I163-N167 VanDerWaalsContact O-CB 3.3Å; I163-N167 WeakPolarHBondContact O-CB 3.33Å; I163-N167 PolarHBondContact O-N 3.04Å
164	Y	94.3	Very high	92.4	Very high	10 Å²	10	47 Å²	47	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-47.2	174	172.9	-92.9	0	0	0	112.5	W35 L58 I102 S160 L161 L162 E166 N167 M168 I202	W35-Y164 HydrophobicContact CB-CE2 4.3Å; W35-Y164 HydrophobicContact CD2-CE2 4.19Å; W35-Y164 HydrophobicContact CE3-CD1 4.1Å; W35-Y164 AromaticContact CE3-CD2 3.76Å; W35-Y164 HydrophobicContact CE3-CD2 3.76Å; W35-Y164 AromaticContact CE3-CE1 3.86Å; W35-Y164 HydrophobicContact CE3-CE1 3.86Å; W35-Y164 AromaticContact CE3-CE2 3.48Å; W35-Y164 HydrophobicContact CE3-CE2 3.48Å; W35-Y164 VanDerWaalsContact CE3-CE2 3.48Å; W35-Y164 HydrophobicContact CE3-CG 4.06Å; W35-Y164 AromaticContact CE3-CZ 3.54Å; W35-Y164 AromaticContact CZ3-CD1 3.95Å; W35-Y164 HydrophobicContact CZ3-CD1 3.95Å; W35-Y164 AromaticContact CZ3-CD2 3.86Å; W35-Y164 HydrophobicContact CZ3-CD2 3.86Å; W35-Y164 HydrophobicContact CZ3-CE1 4.17Å; W35-Y164 HydrophobicContact CZ3-CE2 4.07Å; W35-Y164 AromaticContact CZ3-CG 3.8Å; W35-Y164 HydrophobicContact CZ3-CG 3.8Å; W35-Y164 PolarHBondContact O-OH 3.42Å; L58-Y164 HydrophobicContact CD2-CD2 4.04Å; L58-Y164 HydrophobicContact CD2-CE2 4.28Å; I102-Y164 HydrophobicContact CD1-CD2 4.4Å; S160-Y164 PolarHBondContact O-N 3.37Å; L161-Y164 WeakPolarHBondContact O-CB 3.48Å; L161-Y164 PolarHBondContact O-N 3.05Å; L162-Y164 VanDerWaalsContact C-N 3.25Å; L162-Y164 PolarHBondContact O-N 3.41Å; Y164-E166 VanDerWaalsContact C-N 3.34Å; Y164-E166 PolarHBondContact O-N 3.48Å; Y164-N167 PolarHBondContact O-N 3.12Å; Y164-M168 HydrophobicContact CD1-CG 4.41Å; Y164-M168 HydrophobicContact CE1-CG 3.9Å; Y164-M168 HydrophobicContact CE2-CG 4.32Å; Y164-M168 HydrophobicContact CE2-SD 4.45Å; Y164-M168 WeakPolarHBondContact O-CG 3.41Å; Y164-M168 PolarHBondContact O-N 3.19Å; Y164-I202 HydrophobicContact CE1-CD1 4.06Å; Y164-I202 HydrophobicContact CE1-CG1 4.28Å
165	Y	93.8	Very high	91.3	Very high	101 Å²	101	52.2 Å²	52.2	40%	0.396	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-40.5	176.4	-73.6	-69.2	0	0	0	112.3	L161 L162 M168 S169 I202 W206	L161-Y165 WeakPolarHBondContact O-CD2 3.39Å; L161-Y165 PolarHBondContact O-N 3.16Å; L161-Y165 VanDerWaalsContact O-N 3.14Å; L162-Y165 PolarHBondContact O-N 2.94Å; Y165-M168 WeakPolarHBondContact O-CB 3.18Å; Y165-M168 PolarHBondContact O-N 3.22Å; Y165-S169 PolarHBondContact O-N 3.02Å; Y165-I202 WeakPolarHBondContact OH-CG2 3.4Å; Y165-W206 AromaticContact CE2-CZ2 3.86Å; Y165-W206 HydrophobicContact CE2-CZ2 3.86Å; Y165-W206 AromaticContact CE2-NE1 3.7Å; Y165-W206 AromaticContact CZ-NE1 3.77Å; Y165-W206 PolarHBondContact OH-NE1 3.42Å
166	E	93.6	Very high	90.3	Very high	83 Å²	83	49.9 Å²	49.9	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-64.6	-42.1	175.7	-176.2	57	-154.3	0	0	111.4	M98 L162 I163 Y164 M168 S169 Q170	M98-E166 HydrophobicContact CE-CG 3.83Å; M98-E166 HydrophobicContact SD-CG 4.1Å; L162-E166 PolarHBondContact O-N 2.89Å; I163-E166 PolarHBondContact O-N 3Å; Y164-E166 VanDerWaalsContact C-N 3.34Å; Y164-E166 PolarHBondContact O-N 3.48Å; E166-M168 VanDerWaalsContact C-N 3.33Å; E166-M168 PolarHBondContact O-N 2.85Å; E166-S169 WeakPolarHBondContact O-CB 3.41Å; E166-S169 PolarHBondContact O-N 3.42Å; E166-S169 VanDerWaalsContact O-N 3.1Å; E166-Q170 HydrophobicContact CG-CG 4.37Å; E166-Q170 VanDerWaalsContact O-CG 3.31Å; E166-Q170 WeakPolarHBondContact O-CG 3.12Å; E166-Q170 PolarHBondContact O-N 3.06Å; E166-Q170 PolarHBondContact OE1-NE2 2.94Å
167	N	91.3	Very high	89.3	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.032	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-45.5	175.1	-178.4	69	0	0	0	111.5	I95 M98 I102 I163 Y164 S169 Q170 E171	I95-N167 PolarHBondContact O-OD1 3.31Å; M98-N167 HydrophobicContact CB-CB 3.97Å; M98-N167 HydrophobicContact SD-CB 4.17Å; I102-N167 HydrophobicContact CD1-CB 4.14Å; I163-N167 VanDerWaalsContact O-CB 3.3Å; I163-N167 WeakPolarHBondContact O-CB 3.33Å; I163-N167 PolarHBondContact O-N 3.04Å; Y164-N167 PolarHBondContact O-N 3.12Å; N167-S169 VanDerWaalsContact C-N 3.26Å; N167-S169 PolarHBondContact O-N 3.25Å; N167-Q170 PolarHBondContact O-N 3.42Å; N167-E171 PolarHBondContact ND2-OE1 3.2Å; N167-E171 WeakPolarHBondContact O-CG 3.19Å; N167-E171 PolarHBondContact O-N 3.42Å
168	M	88.8	Confident	88.4	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-39.2	175	-75.1	-62.3	-40.6	0	0	112.3	R56 Y164 Y165 E166 N172 Y196	R56-M168 PolarHBondContact NH2-SD 3.21Å; Y164-M168 HydrophobicContact CD1-CG 4.41Å; Y164-M168 HydrophobicContact CE1-CG 3.9Å; Y164-M168 HydrophobicContact CE2-CG 4.32Å; Y164-M168 HydrophobicContact CE2-SD 4.45Å; Y164-M168 WeakPolarHBondContact O-CG 3.41Å; Y164-M168 PolarHBondContact O-N 3.19Å; Y165-M168 WeakPolarHBondContact O-CB 3.18Å; Y165-M168 PolarHBondContact O-N 3.22Å; E166-M168 VanDerWaalsContact C-N 3.33Å; E166-M168 PolarHBondContact O-N 2.85Å; M168-N172 PolarHBondContact O-ND2 3.09Å; M168-Y196 HydrophobicContact CE-CD2 4.24Å; M168-Y196 HydrophobicContact CE-CE1 4.35Å; M168-Y196 HydrophobicContact CE-CE2 3.36Å; M168-Y196 VanDerWaalsContact CE-CZ 3.45Å; M168-Y196 WeakPolarHBondContact CE-OH 3.28Å; M168-Y196 HydrophobicContact SD-CE2 4.42Å
169	S	89.1	Confident	87.7	Confident	43 Å²	43	54.4 Å²	54.4	30%	0.301	26%	0.264	S	S	.	.	H	α-helix	trans	-64.6	-52.6	175	-174.4	0	0	0	0	110.9	Y165 E166 N167 E171 N172 Y173	Y165-S169 PolarHBondContact O-N 3.02Å; E166-S169 WeakPolarHBondContact O-CB 3.41Å; E166-S169 PolarHBondContact O-N 3.42Å; E166-S169 VanDerWaalsContact O-N 3.1Å; N167-S169 VanDerWaalsContact C-N 3.26Å; N167-S169 PolarHBondContact O-N 3.25Å; S169-E171 VanDerWaalsContact C-N 3.28Å; S169-E171 PolarHBondContact O-N 3.16Å; S169-N172 WeakPolarHBondContact O-CB 3.31Å; S169-N172 PolarHBondContact O-N 3.35Å; S169-Y173 WeakPolarHBondContact O-CD2 3.4Å
170	Q	87.8	Confident	86.9	Confident	34 Å²	34	54.6 Å²	54.6	16%	0.159	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-35.8	-178.1	-67.2	-66.5	-20.2	0	0	113	I95 M98 E166 N167 N172 Y173 R174	I95-Q170 HydrophobicContact CG1-CB 4.06Å; M98-Q170 HydrophobicContact CE-CG 4.21Å; M98-Q170 HydrophobicContact SD-CG 4.24Å; E166-Q170 HydrophobicContact CG-CG 4.37Å; E166-Q170 VanDerWaalsContact O-CG 3.31Å; E166-Q170 WeakPolarHBondContact O-CG 3.12Å; E166-Q170 PolarHBondContact O-N 3.06Å; E166-Q170 PolarHBondContact OE1-NE2 2.94Å; N167-Q170 PolarHBondContact O-N 3.42Å; Q170-N172 PolarHBondContact O-N 2.95Å; Q170-Y173 PolarHBondContact O-N 3.24Å; Q170-Y173 VanDerWaalsContact O-N 3.09Å; Q170-R174 PolarHBondContact O-N 3.26Å; Q170-R174 VanDerWaalsContact OE1-NE 3.14Å
171	E	86.3	Confident	86.1	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-19.1	175.5	-76.3	-179.5	-177.5	0	0	114.2	R56 I95 R99 N167 S169 A182 S184	R56-E171 IonicContact CZ-OE2 2.76Å; R56-E171 IonicContact NH1-OE1 3.58Å; R56-E171 IonicContact NH1-OE2 3.33Å; R56-E171 PolarHBondContact NH1-OE2 3.36Å; R56-E171 IonicContact NH2-OE1 3.13Å; R56-E171 IonicContact NH2-OE2 3.58Å; R56-E171 PolarHBondContact NH2-OE2 3.29Å; I95-E171 HydrophobicContact CD1-CG 4.12Å; I95-E171 HydrophobicContact CG1-CG 4.41Å; I95-E171 HydrophobicContact CG2-CG 3.84Å; R99-E171 IonicContact CZ-OE1 3.05Å; R99-E171 IonicContact NE-OE1 2.82Å; R99-E171 PolarHBondContact NE-OE1 3.45Å; R99-E171 IonicContact NH2-OE1 3.77Å; R99-E171 PolarHBondContact NH2-OE1 3.25Å; N167-E171 PolarHBondContact ND2-OE1 3.2Å; N167-E171 WeakPolarHBondContact O-CG 3.19Å; N167-E171 PolarHBondContact O-N 3.42Å; S169-E171 VanDerWaalsContact C-N 3.28Å; S169-E171 PolarHBondContact O-N 3.16Å; E171-A182 HydrophobicContact CB-CB 4.48Å; E171-A182 HydrophobicContact CG-CB 4.31Å; E171-S184 WeakPolarHBondContact O-CB 3.33Å; E171-S184 PolarHBondContact O-N 3.08Å; E171-S184 PolarHBondContact O-OG 2.57Å
172	N	83.5	Confident	85.5	Confident	61 Å²	61	54.6 Å²	54.6	33%	0.326	26%	0.262	S	S	.	.	H	α-helix	trans	-83.6	-22.4	173.6	-66.7	-52.2	0	0	0	112.8	M168 S169 Q170 R183	M168-N172 PolarHBondContact O-ND2 3.09Å; S169-N172 WeakPolarHBondContact O-CB 3.31Å; S169-N172 PolarHBondContact O-N 3.35Å; Q170-N172 PolarHBondContact O-N 2.95Å; N172-R183 WeakPolarHBondContact OD1-CD 3.46Å; N172-R183 PolarHBondContact OD1-NH1 2.88Å
173	Y	81.9	Confident	84.8	Confident	181 Å²	181	53.2 Å²	53.2	71%	0.71	25%	0.251	S	S	*	.	H	α-helix	trans	-110.7	-35.3	-170	-64	-70.8	0	0	0	114.1	S169 Q170 L175	S169-Y173 WeakPolarHBondContact O-CD2 3.4Å; Q170-Y173 PolarHBondContact O-N 3.24Å; Q170-Y173 VanDerWaalsContact O-N 3.09Å; Y173-L175 PolarHBondContact O-N 2.97Å
174	R	80.3	Confident	84.3	Confident	70 Å²	70	52 Å²	52	26%	0.264	25%	0.245	S	C	.	.			trans	-88.5	104.4	-176.3	-59.7	-151.5	-178.2	117.1	-4.4	111.1	N91 P94 I95 Q170 S184	N91-R174 WeakPolarHBondContact O-CD 3.11Å; P94-R174 VanDerWaalsContact CG-NH1 3.25Å; I95-R174 HydrophobicContact CD1-CB 3.98Å; Q170-R174 PolarHBondContact O-N 3.26Å; Q170-R174 VanDerWaalsContact OE1-NE 3.14Å; R174-S184 WeakPolarHBondContact O-CB 3.37Å; R174-S184 PolarHBondContact O-OG 2.8Å
175	L	74.4	Confident	83.8	Confident	108 Å²	108	52.4 Å²	52.4	57%	0.565	25%	0.251	S	S	*	.			trans	-78.7	126.7	-179.1	180	66.8	0	0	0	112.1	Y173 S184	Y173-L175 PolarHBondContact O-N 2.97Å; L175-S184 WeakPolarHBondContact CD1-O 3.47Å
176	D	76	Confident	83.4	Confident	12 Å²	12	48.3 Å²	48.3	6%	0.064	24%	0.235	C	C	.	.			trans	-146.7	124.9	160.8	-173.2	-24.8	0	0	0	108.1	N89 V92 E178 L179 A185	N89-D176 VanDerWaalsContact CB-OD2 3.28Å; N89-D176 WeakPolarHBondContact CB-OD2 3.27Å; N89-D176 PolarHBondContact N-OD2 3.34Å; V92-D176 HydrophobicContact CG1-CB 3.31Å; D176-E178 PolarHBondContact O-N 3.05Å; D176-E178 WeakPolarHBondContact OD1-CB 3.37Å; D176-E178 PolarHBondContact OD1-N 3Å; D176-L179 HydrophobicContact CB-CB 4.39Å; D176-A185 WeakPolarHBondContact O-CB 3.43Å
177	T	76.5	Confident	83	Confident	107 Å²	107	48.4 Å²	48.4	66%	0.656	24%	0.241	S	C	*	.	S	Bend	trans	-71.3	-19	-177.6	48.2	0	0	0	0	113.3
178	E	79.5	Confident	82.7	Confident	106 Å²	106	52 Å²	52	50%	0.495	26%	0.264	S	S	.	.	S	Bend	trans	-82.9	-31.5	178.3	-65.4	-161.1	179.9	0	0	112.8	Y88 D176 K180	Y88-E178 HydrophobicContact CD1-CB 3.85Å; Y88-E178 HydrophobicContact CE1-CB 4.12Å; D176-E178 PolarHBondContact O-N 3.05Å; D176-E178 WeakPolarHBondContact OD1-CB 3.37Å; D176-E178 PolarHBondContact OD1-N 3Å; E178-K180 PolarHBondContact O-N 3.4Å
179	L	82.3	Confident	82.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.			trans	-81.1	67.8	177.9	-169.9	64.8	0	0	0	110.6	E80 Y88 V92 I95 L96 D176 S181 A182 A185	E80-L179 HydrophobicContact CB-CD1 4.31Å; Y88-L179 HydrophobicContact CD1-CB 4.16Å; Y88-L179 HydrophobicContact CD1-CD1 4.5Å; Y88-L179 HydrophobicContact CE1-CB 4.16Å; Y88-L179 HydrophobicContact CE1-CD1 3.98Å; Y88-L179 HydrophobicContact CE2-CD1 4.38Å; V92-L179 HydrophobicContact CB-CD2 3.96Å; V92-L179 HydrophobicContact CG1-CB 4.43Å; V92-L179 HydrophobicContact CG1-CD2 3.89Å; V92-L179 HydrophobicContact CG2-CD2 4.44Å; I95-L179 HydrophobicContact CG2-CD2 4.21Å; L96-L179 HydrophobicContact CD2-CD1 4.29Å; D176-L179 HydrophobicContact CB-CB 4.39Å; L179-S181 PolarHBondContact O-N 3.24Å; L179-A182 HydrophobicContact CB-CB 4.49Å; L179-A182 HydrophobicContact CD2-CB 3.83Å; L179-A182 HydrophobicContact CG-CB 3.95Å; L179-A182 WeakPolarHBondContact O-CB 3.47Å; L179-A182 PolarHBondContact O-N 2.61Å; L179-A185 VanDerWaalsContact O-CB 3.27Å; L179-A185 WeakPolarHBondContact O-CB 3.26Å
180	K	79.9	Confident	82.5	Confident	77 Å²	77	53.1 Å²	53.1	34%	0.335	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.9	-176.2	-70.6	-172.3	174.5	-156.4	0	113.8	D48 Y49 N50 E178 A182 W186	D48-K180 VanDerWaalsContact CG-NZ 3.32Å; D48-K180 IonicContact OD1-NZ 2.71Å; D48-K180 PolarHBondContact OD1-NZ 2.76Å; D48-K180 VanDerWaalsContact OD1-NZ 3.13Å; D48-K180 IonicContact OD2-NZ 3.17Å; D48-K180 PolarHBondContact OD2-NZ 3.05Å; Y49-K180 HydrophobicContact CD1-CD 4.31Å; Y49-K180 HydrophobicContact CE1-CB 3.58Å; Y49-K180 HydrophobicContact CE1-CD 3.54Å; Y49-K180 HydrophobicContact CE1-CG 4.25Å; Y49-K180 WeakPolarHBondContact OH-CB 3.23Å; Y49-K180 PolarHBondContact OH-O 2.95Å; N50-K180 PolarHBondContact ND2-O 2.71Å; N50-K180 PolarHBondContact OD1-O 2.71Å; N50-K180 VanDerWaalsContact OD1-O 3.08Å; E178-K180 PolarHBondContact O-N 3.4Å; K180-A182 VanDerWaalsContact C-N 3.28Å; K180-A182 PolarHBondContact O-N 3.04Å; K180-W186 PolarHBondContact O-NE1 2.9Å
181	S	80.7	Confident	82.4	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.014	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18	175.9	66.3	0	0	0	0	113.8	Y49 R56 E80 R99 L179	Y49-S181 PolarHBondContact OH-N 2.94Å; Y49-S181 VanDerWaalsContact OH-N 3.14Å; R56-S181 PolarHBondContact NH1-O 2.82Å; R56-S181 VanDerWaalsContact NH1-O 3.15Å; E80-S181 VanDerWaalsContact OE2-CB 3.24Å; E80-S181 WeakPolarHBondContact OE2-CB 3.49Å; E80-S181 PolarHBondContact OE2-OG 3.28Å; R99-S181 PolarHBondContact NH1-OG 3.28Å; R99-S181 PolarHBondContact NH2-OG 3.44Å; L179-S181 PolarHBondContact O-N 3.24Å
182	A	83.6	Confident	82.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-86	137.7	174.1	0	0	0	0	0	110.7	E171 L179 K180 S184 A185 W186	E171-A182 HydrophobicContact CB-CB 4.48Å; E171-A182 HydrophobicContact CG-CB 4.31Å; L179-A182 HydrophobicContact CB-CB 4.49Å; L179-A182 HydrophobicContact CD2-CB 3.83Å; L179-A182 HydrophobicContact CG-CB 3.95Å; L179-A182 WeakPolarHBondContact O-CB 3.47Å; L179-A182 PolarHBondContact O-N 2.61Å; K180-A182 VanDerWaalsContact C-N 3.28Å; K180-A182 PolarHBondContact O-N 3.04Å; A182-S184 PolarHBondContact O-N 3.21Å; A182-A185 WeakPolarHBondContact O-CB 3.22Å; A182-A185 PolarHBondContact O-N 3.37Å; A182-A185 VanDerWaalsContact O-N 3.08Å; A182-W186 PolarHBondContact O-NE1 3.32Å
183	R	82.4	Confident	82.6	Confident	58 Å²	58	61.6 Å²	61.6	22%	0.219	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-63.3	-28.5	-177.8	-179.9	161.7	-179.7	-139.7	8.8	113.2	N172 A185 W186	N172-R183 WeakPolarHBondContact OD1-CD 3.46Å; N172-R183 PolarHBondContact OD1-NH1 2.88Å; R183-A185 PolarHBondContact O-N 3.48Å; R183-W186 HydrophobicContact CB-CD2 4.31Å; R183-W186 HydrophobicContact CB-CE3 4.14Å; R183-W186 HydrophobicContact CB-CH2 4.2Å; R183-W186 HydrophobicContact CB-CZ2 4.37Å; R183-W186 HydrophobicContact CB-CZ3 4.09Å; R183-W186 HydrophobicContact CG-CD2 4.19Å; R183-W186 HydrophobicContact CG-CE3 3.64Å; R183-W186 HydrophobicContact CG-CH2 4.33Å; R183-W186 HydrophobicContact CG-CZ3 3.72Å; R183-W186 WeakPolarHBondContact O-CB 3.32Å; R183-W186 PolarHBondContact O-N 2.83Å
184	S	83.4	Confident	82.9	Confident	15 Å²	15	53.3 Å²	53.3	11%	0.105	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-59.4	-32.6	174.3	59.1	0	0	0	0	113	E171 R174 L175 A182 W186	E171-S184 WeakPolarHBondContact O-CB 3.33Å; E171-S184 PolarHBondContact O-N 3.08Å; E171-S184 PolarHBondContact O-OG 2.57Å; R174-S184 WeakPolarHBondContact O-CB 3.37Å; R174-S184 PolarHBondContact O-OG 2.8Å; L175-S184 WeakPolarHBondContact CD1-O 3.47Å; A182-S184 PolarHBondContact O-N 3.21Å; S184-W186 PolarHBondContact O-N 2.99Å
185	A	84	Confident	83.3	Confident	20 Å²	20	54.6 Å²	54.6	17%	0.165	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-72.2	-11.7	179.4	0	0	0	0	0	113.7	D176 L179 A182 R183	D176-A185 WeakPolarHBondContact O-CB 3.43Å; L179-A185 VanDerWaalsContact O-CB 3.27Å; L179-A185 WeakPolarHBondContact O-CB 3.26Å; A182-A185 WeakPolarHBondContact O-CB 3.22Å; A182-A185 PolarHBondContact O-N 3.37Å; A182-A185 VanDerWaalsContact O-N 3.08Å; R183-A185 PolarHBondContact O-N 3.48Å
186	W	86.2	Confident	84	Confident	14 Å²	14	53.2 Å²	53.2	5%	0.053	28%	0.28	C	S	.	.	S	Bend	trans	-80.7	146.2	-174.3	-56.2	-9.3	0	0	0	111.3	Y38 N50 R54 K180 A182 R183 S184 V190 T194	Y38-W186 AromaticContact CD1-CH2 3.44Å; Y38-W186 HydrophobicContact CD1-CH2 3.44Å; Y38-W186 VanDerWaalsContact CD1-CH2 3.44Å; Y38-W186 AromaticContact CD1-CZ3 3.94Å; Y38-W186 HydrophobicContact CD1-CZ3 3.94Å; Y38-W186 HydrophobicContact CD2-CH2 4.33Å; Y38-W186 AromaticContact CE1-CH2 3.57Å; Y38-W186 HydrophobicContact CE1-CH2 3.57Å; Y38-W186 HydrophobicContact CE1-CZ3 4.21Å; Y38-W186 HydrophobicContact CE2-CH2 4.45Å; Y38-W186 AromaticContact CG-CH2 3.82Å; Y38-W186 HydrophobicContact CG-CH2 3.82Å; N50-W186 PolarHBondContact OD1-NE1 2.9Å; R54-W186 VanDerWaalsContact NH2-CZ2 3.26Å; K180-W186 PolarHBondContact O-NE1 2.9Å; A182-W186 PolarHBondContact O-NE1 3.32Å; R183-W186 HydrophobicContact CB-CD2 4.31Å; R183-W186 HydrophobicContact CB-CE3 4.14Å; R183-W186 HydrophobicContact CB-CH2 4.2Å; R183-W186 HydrophobicContact CB-CZ2 4.37Å; R183-W186 HydrophobicContact CB-CZ3 4.09Å; R183-W186 HydrophobicContact CG-CD2 4.19Å; R183-W186 HydrophobicContact CG-CE3 3.64Å; R183-W186 HydrophobicContact CG-CH2 4.33Å; R183-W186 HydrophobicContact CG-CZ3 3.72Å; R183-W186 WeakPolarHBondContact O-CB 3.32Å; R183-W186 PolarHBondContact O-N 2.83Å; S184-W186 PolarHBondContact O-N 2.99Å; W186-V190 HydrophobicContact CB-CB 4.29Å; W186-V190 HydrophobicContact CB-CG1 4.11Å; W186-V190 HydrophobicContact CD2-CG1 4.31Å; W186-V190 HydrophobicContact CE3-CG1 4.19Å; W186-V190 HydrophobicContact CG-CG1 4.29Å; W186-T194 HydrophobicContact CZ3-CG2 3.97Å
187	T	85.3	Confident	84.8	Confident	85 Å²	85	54.7 Å²	54.7	52%	0.521	29%	0.291	S	S	.	.			trans	-63.6	155.4	171.6	63.2	0	0	0	0	110.5	T189 V190 R191	T187-T189 VanDerWaalsContact C-N 3.27Å; T187-T189 PolarHBondContact O-N 2.95Å; T187-V190 PolarHBondContact O-N 2.91Å; T187-V190 VanDerWaalsContact O-N 3.12Å; T187-V190 WeakPolarHBondContact OG1-CG2 3.2Å; T187-V190 PolarHBondContact OG1-N 3.31Å; T187-R191 PolarHBondContact O-N 3.36Å
188	T	85.6	Confident	85.4	Confident	83 Å²	83	53.8 Å²	53.8	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-54.9	-45	176.8	49.3	0	0	0	0	111.4	V190 R191 D192	T188-V190 VanDerWaalsContact C-N 3.33Å; T188-V190 PolarHBondContact O-N 3.14Å; T188-R191 PolarHBondContact O-N 3.08Å; T188-R191 VanDerWaalsContact O-N 3.12Å; T188-D192 WeakPolarHBondContact O-CB 3.34Å; T188-D192 PolarHBondContact O-N 3.25Å
189	T	86.4	Confident	86	Confident	76 Å²	76	48.9 Å²	48.9	47%	0.466	27%	0.266	S	S	.	.	H	α-helix	trans	-55.7	-44.2	176.4	-49.3	0	0	0	0	112.6	I43 T187 N193	I43-T189 HydrophobicContact CG2-CG2 4.05Å; T187-T189 VanDerWaalsContact C-N 3.27Å; T187-T189 PolarHBondContact O-N 2.95Å; T189-N193 WeakPolarHBondContact O-CB 3.21Å; T189-N193 PolarHBondContact O-N 2.84Å; T189-N193 PolarHBondContact O-ND2 3.24Å
190	V	85.5	Confident	86.5	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-66.3	-46.8	177.1	171.4	0	0	0	0	110.1	I43 N50 Q51 W186 T187 T188 D192 N193 T194	I43-V190 HydrophobicContact CD1-CB 4.46Å; I43-V190 HydrophobicContact CD1-CG2 4.07Å; N50-V190 HydrophobicContact CB-CG1 4.44Å; N50-V190 VanDerWaalsContact O-CG1 3.28Å; N50-V190 WeakPolarHBondContact O-CG1 3.29Å; Q51-V190 HydrophobicContact CG-CG2 3.64Å; W186-V190 HydrophobicContact CB-CB 4.29Å; W186-V190 HydrophobicContact CB-CG1 4.11Å; W186-V190 HydrophobicContact CD2-CG1 4.31Å; W186-V190 HydrophobicContact CE3-CG1 4.19Å; W186-V190 HydrophobicContact CG-CG1 4.29Å; T187-V190 PolarHBondContact O-N 2.91Å; T187-V190 VanDerWaalsContact O-N 3.12Å; T187-V190 WeakPolarHBondContact OG1-CG2 3.2Å; T187-V190 PolarHBondContact OG1-N 3.31Å; T188-V190 VanDerWaalsContact C-N 3.33Å; T188-V190 PolarHBondContact O-N 3.14Å; V190-D192 VanDerWaalsContact C-N 3.33Å; V190-D192 PolarHBondContact O-N 3.2Å; V190-N193 CarbonylContact O-C 3.49Å; V190-N193 PolarHBondContact O-N 3.24Å; V190-T194 WeakPolarHBondContact O-CB 3.44Å; V190-T194 PolarHBondContact O-N 2.85Å; V190-T194 PolarHBondContact O-OG1 3Å
191	R	85.7	Confident	87.1	Confident	104 Å²	104	47.6 Å²	47.6	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-39.2	-177.5	-173.2	176.5	63.5	-169.6	-2.6	113	T187 T188 N193 T194	T187-R191 PolarHBondContact O-N 3.36Å; T188-R191 PolarHBondContact O-N 3.08Å; T188-R191 VanDerWaalsContact O-N 3.12Å; R191-N193 VanDerWaalsContact C-N 3.33Å; R191-T194 PolarHBondContact O-N 3.29Å
192	D	87.3	Confident	87.8	Confident	120 Å²	120	48.2 Å²	48.2	64%	0.642	27%	0.272	S	S	*	.	H	α-helix	trans	-74.6	-27	-178.7	-62	-16.5	0	0	0	111.7	T188 V190	T188-D192 WeakPolarHBondContact O-CB 3.34Å; T188-D192 PolarHBondContact O-N 3.25Å; V190-D192 VanDerWaalsContact C-N 3.33Å; V190-D192 PolarHBondContact O-N 3.2Å
193	N	87.9	Confident	88.3	Confident	50 Å²	50	51.7 Å²	51.7	27%	0.267	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	3.8	174.1	-73.3	-70.5	0	0	0	113.4	V40 S41 I43 T189 V190 R191	V40-N193 CarbonylContact C-O 3.22Å; V40-N193 WeakPolarHBondContact CA-O 3.08Å; S41-N193 PolarHBondContact N-O 3.15Å; S41-N193 WeakPolarHBondContact OG-CA 3.49Å; S41-N193 WeakPolarHBondContact OG-CB 3.11Å; S41-N193 PolarHBondContact OG-O 3.23Å; S41-N193 PolarHBondContact OG-OD1 3.33Å; S41-N193 VanDerWaalsContact OG-OD1 3.13Å; I43-N193 HydrophobicContact CD1-CB 3.82Å; I43-N193 HydrophobicContact CG1-CB 3.87Å; T189-N193 WeakPolarHBondContact O-CB 3.21Å; T189-N193 PolarHBondContact O-N 2.84Å; T189-N193 PolarHBondContact O-ND2 3.24Å; V190-N193 CarbonylContact O-C 3.49Å; V190-N193 PolarHBondContact O-N 3.24Å; R191-N193 VanDerWaalsContact C-N 3.33Å
194	T	88.1	Confident	88.9	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.049	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.9	-179.5	-54.8	0	0	0	0	110.9	Y38 D39 V40 W186 V190 R191	Y38-T194 HydrophobicContact CD1-CG2 4.24Å; D39-T194 CarbonylContact O-C 3.53Å; D39-T194 WeakPolarHBondContact O-CA 3.13Å; V40-T194 HydrophobicContact CG2-CG2 3.99Å; V40-T194 WeakPolarHBondContact CG2-OG1 3.37Å; W186-T194 HydrophobicContact CZ3-CG2 3.97Å; V190-T194 WeakPolarHBondContact O-CB 3.44Å; V190-T194 PolarHBondContact O-N 2.85Å; V190-T194 PolarHBondContact O-OG1 3Å; R191-T194 PolarHBondContact O-N 3.29Å
195	V	89.4	Confident	89.5	Confident	97 Å²	97	51.8 Å²	51.8	59%	0.588	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.6	169	-178	0	0	0	0	108.9	Y38 D39	Y38-V195 WeakPolarHBondContact CA-O 3.43Å; D39-V195 PolarHBondContact N-O 2.73Å; D39-V195 PolarHBondContact O-N 2.9Å
196	Y	89.2	Confident	90.2	Very high	78 Å²	78	54.8 Å²	54.8	31%	0.306	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.2	170.5	168.1	-101.9	0	0	0	109.6	A36 Y38 M168	A36-Y196 HydrophobicContact CB-CE2 3.7Å; Y38-Y196 AromaticContact CD1-CD2 3.95Å; Y38-Y196 HydrophobicContact CD1-CD2 3.95Å; Y38-Y196 AromaticContact CE1-CD2 3.45Å; Y38-Y196 HydrophobicContact CE1-CD2 3.45Å; Y38-Y196 VanDerWaalsContact CE1-CD2 3.45Å; Y38-Y196 HydrophobicContact CE1-CE2 4.15Å; Y38-Y196 HydrophobicContact CE1-CG 4.38Å; M168-Y196 HydrophobicContact CE-CD2 4.24Å; M168-Y196 HydrophobicContact CE-CE1 4.35Å; M168-Y196 HydrophobicContact CE-CE2 3.36Å; M168-Y196 VanDerWaalsContact CE-CZ 3.45Å; M168-Y196 WeakPolarHBondContact CE-OH 3.28Å; M168-Y196 HydrophobicContact SD-CE2 4.42Å
197	S	91.1	Very high	90.7	Very high	43 Å²	43	56.8 Å²	56.8	30%	0.301	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.3	171.3	57.1	0	0	0	0	111.6	V37 G199	V37-S197 WeakPolarHBondContact CB-OG 3.26Å; V37-S197 PolarHBondContact N-O 3.26Å; V37-S197 PolarHBondContact O-N 2.92Å; S197-G199 PolarHBondContact O-N 2.9Å
198	P	90.9	Very high	91.2	Very high	88 Å²	88	52.7 Å²	52.7	57%	0.571	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.3	170.3	27.7	-33	0	0	0	109.7	I202	P198-I202 HydrophobicContact CB-CD1 3.48Å; P198-I202 VanDerWaalsContact CB-CD1 3.48Å
199	G	91.8	Very high	91.8	Very high	4 Å²	4	48.9 Å²	48.9	4%	0.041	27%	0.271	C	S	.	.			trans	-76.7	167.1	175.2	0	0	0	0	0	112.4	D34 W35 S197 M201 I202	D34-G199 CarbonylContact O-C 3.13Å; D34-G199 VanDerWaalsContact O-C 3.22Å; D34-G199 VanDerWaalsContact O-CA 3.26Å; D34-G199 WeakPolarHBondContact O-CA 3.25Å; W35-G199 PolarHBondContact O-N 2.82Å; S197-G199 PolarHBondContact O-N 2.9Å; G199-M201 PolarHBondContact O-N 3.47Å; G199-M201 VanDerWaalsContact O-N 3.14Å; G199-I202 PolarHBondContact O-N 3.37Å
200	G	91.8	Very high	92.3	Very high	30 Å²	30	50.8 Å²	50.8	31%	0.309	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.7	-177.3	0	0	0	0	0	114.4	D34 P203 M204	D34-G200 PolarHBondContact O-N 2.94Å; D34-G200 WeakPolarHBondContact OD2-CA 3.21Å; D34-G200 PolarHBondContact OD2-N 3.03Å; G200-P203 WeakPolarHBondContact O-CD 3.14Å; G200-P203 VanDerWaalsContact O-CG 3.31Å; G200-P203 WeakPolarHBondContact O-CG 3.27Å; G200-M204 WeakPolarHBondContact O-CG 3.24Å
201	M	93.8	Very high	92.9	Very high	20 Å²	20	52.6 Å²	52.6	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-75.7	-23.8	178.2	-61.3	-59.7	110.3	0	0	113.5	V29 S32 D34 W35 G199 M204 A205	V29-M201 HydrophobicContact CG2-CB 4.43Å; V29-M201 HydrophobicContact CG2-SD 4.27Å; S32-M201 VanDerWaalsContact CB-CG 3.49Å; S32-M201 WeakPolarHBondContact CB-SD 3.36Å; S32-M201 WeakPolarHBondContact OG-CG 3.41Å; S32-M201 PolarHBondContact OG-SD 3.14Å; D34-M201 HydrophobicContact CB-CG 4.09Å; D34-M201 VanDerWaalsContact O-CB 3.23Å; D34-M201 WeakPolarHBondContact O-CB 2.94Å; D34-M201 WeakPolarHBondContact O-CG 3.38Å; D34-M201 PolarHBondContact O-N 3.39Å; W35-M201 HydrophobicContact CD2-CB 4.3Å; W35-M201 HydrophobicContact CG-CB 4.05Å; G199-M201 PolarHBondContact O-N 3.47Å; G199-M201 VanDerWaalsContact O-N 3.14Å; M201-M204 HydrophobicContact CE-CE 3.83Å; M201-M204 HydrophobicContact CE-SD 3.49Å; M201-M204 WeakPolarHBondContact CE-SD 2.98Å; M201-M204 PolarHBondContact O-N 2.82Å; M201-M204 HydrophobicContact SD-SD 3.87Å; M201-A205 WeakPolarHBondContact O-CB 3.31Å; M201-A205 PolarHBondContact O-N 2.81Å
202	I	93.5	Very high	93.4	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.072	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-54.8	177.7	-70	171.2	0	0	0	111.6	W35 Y164 Y165 P198 G199 M204 A205 W206	W35-I202 HydrophobicContact CE3-CG1 4.09Å; W35-I202 WeakPolarHBondContact O-CD1 3.4Å; W35-I202 WeakPolarHBondContact O-CG1 3.27Å; Y164-I202 HydrophobicContact CE1-CD1 4.06Å; Y164-I202 HydrophobicContact CE1-CG1 4.28Å; Y165-I202 WeakPolarHBondContact OH-CG2 3.4Å; P198-I202 HydrophobicContact CB-CD1 3.48Å; P198-I202 VanDerWaalsContact CB-CD1 3.48Å; G199-I202 PolarHBondContact O-N 3.37Å; I202-M204 VanDerWaalsContact C-N 3.27Å; I202-M204 PolarHBondContact O-N 3.08Å; I202-A205 PolarHBondContact O-N 3.49Å; I202-W206 PolarHBondContact O-N 2.78Å; I202-W206 VanDerWaalsContact O-N 3.07Å
203	P	95.4	Very high	93.9	Very high	73 Å²	73	44 Å²	44	47%	0.474	25%	0.246	S	C	.	.	H	α-helix	trans	-64.7	-30.7	177	24.1	-33.6	0	0	0	112.6	G200 S207	G200-P203 WeakPolarHBondContact O-CD 3.14Å; G200-P203 VanDerWaalsContact O-CG 3.31Å; G200-P203 WeakPolarHBondContact O-CG 3.27Å; P203-S207 WeakPolarHBondContact O-CB 3.25Å; P203-S207 PolarHBondContact O-N 2.04Å; P203-S207 PolarHBondContact O-OG 3.37Å
204	M	95.5	Very high	94.4	Very high	76 Å²	76	43.6 Å²	43.6	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-66.1	-42.2	174	-68.2	-172.4	-172.4	0	0	112.1	V29 G200 M201 I202 S207 A208	V29-M204 HydrophobicContact CG2-CB 3.75Å; G200-M204 WeakPolarHBondContact O-CG 3.24Å; M201-M204 HydrophobicContact CE-CE 3.83Å; M201-M204 HydrophobicContact CE-SD 3.49Å; M201-M204 WeakPolarHBondContact CE-SD 2.98Å; M201-M204 PolarHBondContact O-N 2.82Å; M201-M204 HydrophobicContact SD-SD 3.87Å; I202-M204 VanDerWaalsContact C-N 3.27Å; I202-M204 PolarHBondContact O-N 3.08Å; M204-S207 WeakPolarHBondContact O-CB 3.49Å; M204-S207 PolarHBondContact O-N 2.92Å; M204-A208 WeakPolarHBondContact O-CB 3.46Å; M204-A208 PolarHBondContact O-N 2.86Å
205	A	96	Very high	94.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-42.5	177.6	0	0	0	0	0	111.3	V29 W35 Y157 L161 M201 I202 A208 C209	V29-A205 HydrophobicContact CG1-CB 3.86Å; V29-A205 HydrophobicContact CG2-CB 4.18Å; W35-A205 HydrophobicContact CH2-CB 3.95Å; W35-A205 HydrophobicContact CZ2-CB 4.41Å; W35-A205 HydrophobicContact CZ3-CB 4.47Å; Y157-A205 WeakPolarHBondContact CE1-O 3.39Å; L161-A205 HydrophobicContact CD2-CB 3.79Å; M201-A205 WeakPolarHBondContact O-CB 3.31Å; M201-A205 PolarHBondContact O-N 2.81Å; I202-A205 PolarHBondContact O-N 3.49Å; A205-A208 WeakPolarHBondContact O-CB 3.09Å; A205-A208 PolarHBondContact O-N 2.8Å; A205-C209 WeakPolarHBondContact O-CB 3.22Å; A205-C209 PolarHBondContact O-N 2.86Å
206	W	97.1	Very high	95.1	Very high	83 Å²	83	38.6 Å²	38.6	31%	0.314	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-40.5	171.7	-82.5	106.8	0	0	0	112.7	F158 L161 Y165 I202 C209 L210	F158-W206 HydrophobicContact CD2-CH2 4.14Å; F158-W206 AromaticContact CD2-CZ3 3.95Å; F158-W206 HydrophobicContact CD2-CZ3 3.95Å; F158-W206 AromaticContact CE2-CH2 3.61Å; F158-W206 HydrophobicContact CE2-CH2 3.61Å; F158-W206 AromaticContact CE2-CZ3 3.68Å; F158-W206 HydrophobicContact CE2-CZ3 3.68Å; L161-W206 HydrophobicContact CD1-CD2 4Å; L161-W206 HydrophobicContact CD1-CE3 4.18Å; L161-W206 HydrophobicContact CD1-CG 4.39Å; Y165-W206 AromaticContact CE2-CZ2 3.86Å; Y165-W206 HydrophobicContact CE2-CZ2 3.86Å; Y165-W206 AromaticContact CE2-NE1 3.7Å; Y165-W206 AromaticContact CZ-NE1 3.77Å; Y165-W206 PolarHBondContact OH-NE1 3.42Å; I202-W206 PolarHBondContact O-N 2.78Å; I202-W206 VanDerWaalsContact O-N 3.07Å; W206-C209 WeakPolarHBondContact O-CB 3.44Å; W206-C209 PolarHBondContact O-N 3.18Å; W206-L210 WeakPolarHBondContact O-CG 3.07Å; W206-L210 PolarHBondContact O-N 2.83Å
207	S	97.1	Very high	95.5	Very high	55 Å²	55	38.9 Å²	38.9	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-41.8	176.1	-59.1	0	0	0	0	111.6	P203 M204 L210 L211	P203-S207 WeakPolarHBondContact O-CB 3.25Å; P203-S207 PolarHBondContact O-N 2.04Å; P203-S207 PolarHBondContact O-OG 3.37Å; M204-S207 WeakPolarHBondContact O-CB 3.49Å; M204-S207 PolarHBondContact O-N 2.92Å; S207-L210 PolarHBondContact O-N 2.82Å; S207-L211 WeakPolarHBondContact O-CG 3.16Å; S207-L211 PolarHBondContact O-N 2.82Å
208	A	96.7	Very high	95.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-48.6	172.4	0	0	0	0	0	110.4	F22 L25 Y157 M204 A205 L210 L211 I212	F22-A208 HydrophobicContact CD2-CB 3.77Å; F22-A208 WeakPolarHBondContact CD2-O 3.1Å; F22-A208 HydrophobicContact CE2-CB 4.17Å; L25-A208 HydrophobicContact CB-CB 3.89Å; L25-A208 HydrophobicContact CD1-CB 4.42Å; Y157-A208 HydrophobicContact CE1-CB 4.42Å; M204-A208 WeakPolarHBondContact O-CB 3.46Å; M204-A208 PolarHBondContact O-N 2.86Å; A205-A208 WeakPolarHBondContact O-CB 3.09Å; A205-A208 PolarHBondContact O-N 2.8Å; A208-L210 VanDerWaalsContact C-N 3.32Å; A208-L210 PolarHBondContact O-N 2.73Å; A208-L211 WeakPolarHBondContact O-CB 3.35Å; A208-L211 PolarHBondContact O-N 3.12Å; A208-L211 VanDerWaalsContact O-N 3.1Å; A208-I212 PolarHBondContact O-N 3.22Å
209	C	97	Very high	95.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-55.9	-43.9	176.4	-166.3	0	0	0	0	112.4	Y157 L161 A205 W206 I212 Y213	Y157-C209 HydrophobicContact CD1-CB 3.9Å; Y157-C209 HydrophobicContact CE1-CB 4.17Å; L161-C209 HydrophobicContact CD1-CB 4.06Å; A205-C209 WeakPolarHBondContact O-CB 3.22Å; A205-C209 PolarHBondContact O-N 2.86Å; W206-C209 WeakPolarHBondContact O-CB 3.44Å; W206-C209 PolarHBondContact O-N 3.18Å; C209-I212 WeakPolarHBondContact O-CG2 3.35Å; C209-Y213 WeakPolarHBondContact O-CD2 3.42Å; C209-Y213 PolarHBondContact O-N 3.13Å
210	L	97.4	Very high	95.9	Very high	117 Å²	117	37.2 Å²	37.2	61%	0.613	21%	0.206	S	C	*	.	H	α-helix	trans	-66.2	-38.2	176.3	-68.9	174.4	0	0	0	112.6	W206 S207 A208 Y213 A214	W206-L210 WeakPolarHBondContact O-CG 3.07Å; W206-L210 PolarHBondContact O-N 2.83Å; S207-L210 PolarHBondContact O-N 2.82Å; A208-L210 VanDerWaalsContact C-N 3.32Å; A208-L210 PolarHBondContact O-N 2.73Å; L210-Y213 PolarHBondContact O-N 3.01Å; L210-A214 WeakPolarHBondContact O-CB 3.32Å; L210-A214 PolarHBondContact O-N 3.12Å
211	L	97.5	Very high	95.9	Very high	43 Å²	43	39.4 Å²	39.4	23%	0.225	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-39.8	179.3	-77.5	165.8	0	0	0	112.8	C18 V21 F22 L25 S207 A208 Y213 A214 G215	C18-L211 HydrophobicContact CB-CD2 4.24Å; V21-L211 HydrophobicContact CB-CD1 4.16Å; V21-L211 HydrophobicContact CG1-CD1 3.56Å; F22-L211 HydrophobicContact CB-CB 4.32Å; L25-L211 HydrophobicContact CD1-CD1 3.68Å; S207-L211 WeakPolarHBondContact O-CG 3.16Å; S207-L211 PolarHBondContact O-N 2.82Å; A208-L211 WeakPolarHBondContact O-CB 3.35Å; A208-L211 PolarHBondContact O-N 3.12Å; A208-L211 VanDerWaalsContact O-N 3.1Å; L211-Y213 VanDerWaalsContact C-N 3.33Å; L211-Y213 PolarHBondContact O-N 2.68Å; L211-A214 PolarHBondContact O-N 2.97Å; L211-G215 PolarHBondContact O-N 2.81Å
212	I	97.1	Very high	95.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-38.1	177.2	-172.4	64.5	0	0	0	111.3	F22 V113 L150 A208 C209 S216	F22-I212 HydrophobicContact CD1-CD1 4.23Å; F22-I212 HydrophobicContact CD2-CB 3.86Å; F22-I212 HydrophobicContact CD2-CG2 4.19Å; F22-I212 HydrophobicContact CE2-CB 4.14Å; F22-I212 HydrophobicContact CE2-CG2 4.15Å; F22-I212 HydrophobicContact CG-CB 4.07Å; F22-I212 HydrophobicContact CG-CD1 4.46Å; V113-I212 HydrophobicContact CG1-CD1 3.96Å; V113-I212 HydrophobicContact CG2-CD1 3.77Å; V113-I212 HydrophobicContact CG2-CG1 4.39Å; L150-I212 HydrophobicContact CB-CD1 4.18Å; L150-I212 HydrophobicContact CD2-CD1 3.65Å; L150-I212 HydrophobicContact CG-CD1 4.41Å; A208-I212 PolarHBondContact O-N 3.22Å; C209-I212 WeakPolarHBondContact O-CG2 3.35Å; I212-S216 WeakPolarHBondContact O-CB 3.46Å; I212-S216 PolarHBondContact O-N 3.32Å
213	Y	97.9	Very high	95.5	Very high	44 Å²	44	38.7 Å²	38.7	17%	0.173	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-40	173.1	-74.8	-60.6	0	0	0	112.6	W151 G154 L155 C209 L210 L211 S216 I217	W151-Y213 AromaticContact CD1-CD1 3.66Å; W151-Y213 AromaticContact CD1-CE1 3.73Å; W151-Y213 HydrophobicContact CD2-CE1 4.43Å; W151-Y213 HydrophobicContact CG-CD1 4.39Å; W151-Y213 HydrophobicContact CG-CE1 4.18Å; W151-Y213 AromaticContact NE1-CD1 3.88Å; W151-Y213 AromaticContact NE1-CE1 3.67Å; G154-Y213 VanDerWaalsContact C-OH 3.28Å; G154-Y213 PolarHBondContact O-OH 2.86Å; L155-Y213 VanDerWaalsContact CA-OH 3.26Å; L155-Y213 WeakPolarHBondContact CA-OH 3.5Å; L155-Y213 PolarHBondContact N-OH 3.39Å; C209-Y213 WeakPolarHBondContact O-CD2 3.42Å; C209-Y213 PolarHBondContact O-N 3.13Å; L210-Y213 PolarHBondContact O-N 3.01Å; L211-Y213 VanDerWaalsContact C-N 3.33Å; L211-Y213 PolarHBondContact O-N 2.68Å; Y213-S216 WeakPolarHBondContact O-CB 3.42Å; Y213-S216 PolarHBondContact O-N 3.33Å; Y213-I217 WeakPolarHBondContact O-CB 3.49Å; Y213-I217 VanDerWaalsContact O-CG1 3.28Å; Y213-I217 WeakPolarHBondContact O-CG1 3.35Å; Y213-I217 PolarHBondContact O-N 3.24Å
214	A	97.5	Very high	95.1	Very high	40 Å²	40	39.2 Å²	39.2	33%	0.331	22%	0.218	S	C	.	.	H	α-helix	trans	-60.1	-47.9	175.3	0	0	0	0	0	111	L210 L211 I217 L218	L210-A214 WeakPolarHBondContact O-CB 3.32Å; L210-A214 PolarHBondContact O-N 3.12Å; L211-A214 PolarHBondContact O-N 2.97Å; A214-I217 PolarHBondContact O-N 2.78Å; A214-L218 WeakPolarHBondContact O-CG 3.34Å; A214-L218 PolarHBondContact O-N 2.63Å
215	G	96.4	Very high	94.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-51.9	174.3	0	0	0	0	0	111.9	S15 L211 I217 L218 Q219	S15-G215 VanDerWaalsContact OG-CA 3.27Å; S15-G215 WeakPolarHBondContact OG-CA 3.36Å; S15-G215 PolarHBondContact OG-O 3.25Å; L211-G215 PolarHBondContact O-N 2.81Å; G215-I217 VanDerWaalsContact C-N 3.31Å; G215-I217 PolarHBondContact O-N 2.85Å; G215-L218 WeakPolarHBondContact O-CB 3.28Å; G215-L218 PolarHBondContact O-N 3.41Å; G215-Q219 PolarHBondContact O-N 2.82Å
216	S	96.8	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-49.7	-49.6	175.5	168.9	0	0	0	0	113	G147 W151 I212 Y213 L218 Q219 M220	G147-S216 WeakPolarHBondContact O-CB 3.45Å; G147-S216 PolarHBondContact O-OG 2.79Å; W151-S216 WeakPolarHBondContact CB-OG 3.42Å; W151-S216 PolarHBondContact N-OG 3.4Å; I212-S216 WeakPolarHBondContact O-CB 3.46Å; I212-S216 PolarHBondContact O-N 3.32Å; Y213-S216 WeakPolarHBondContact O-CB 3.42Å; Y213-S216 PolarHBondContact O-N 3.33Å; S216-L218 PolarHBondContact O-N 2.62Å; S216-Q219 PolarHBondContact O-N 3Å; S216-M220 WeakPolarHBondContact O-CG 3.22Å; S216-M220 PolarHBondContact O-N 3.02Å
217	I	96.5	Very high	91.6	Very high	84 Å²	84	43.2 Å²	43.2	43%	0.431	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-41.7	178.8	-68.9	166.2	0	0	0	111.1	Y213 A214 G215 Q219 M220 I221	Y213-I217 WeakPolarHBondContact O-CB 3.49Å; Y213-I217 VanDerWaalsContact O-CG1 3.28Å; Y213-I217 WeakPolarHBondContact O-CG1 3.35Å; Y213-I217 PolarHBondContact O-N 3.24Å; A214-I217 PolarHBondContact O-N 2.78Å; G215-I217 VanDerWaalsContact C-N 3.31Å; G215-I217 PolarHBondContact O-N 2.85Å; I217-Q219 PolarHBondContact O-N 3.1Å; I217-M220 HydrophobicContact CB-CE 4.42Å; I217-M220 HydrophobicContact CG1-CE 3.94Å; I217-M220 PolarHBondContact O-N 3.07Å; I217-I221 HydrophobicContact CG2-CD1 3.68Å; I217-I221 HydrophobicContact CG2-CG1 4.24Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.38Å; I217-I221 PolarHBondContact O-N 3.27Å
218	L	95.6	Very high	89.7	Confident	39 Å²	39	43.1 Å²	43.1	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-42.3	177.3	-69.7	168	0	0	0	112	L11 A14 A214 G215 S216 I221 A222	L11-L218 HydrophobicContact CD2-CD2 3.56Å; A14-L218 HydrophobicContact CB-CD1 3.98Å; A214-L218 WeakPolarHBondContact O-CG 3.34Å; A214-L218 PolarHBondContact O-N 2.63Å; G215-L218 WeakPolarHBondContact O-CB 3.28Å; G215-L218 PolarHBondContact O-N 3.41Å; S216-L218 PolarHBondContact O-N 2.62Å; L218-I221 PolarHBondContact O-N 2.89Å; L218-A222 WeakPolarHBondContact O-CB 3.45Å; L218-A222 PolarHBondContact O-N 3.03Å
219	Q	93.3	Very high	87.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-40.4	174.5	-57.3	-158.5	-0.2	0	0	112	S15 E19 A143 L150 G215 S216 I217 A222 S223	S15-Q219 WeakPolarHBondContact OG-CG 3.39Å; E19-Q219 PolarHBondContact OE1-NE2 3.35Å; A143-Q219 WeakPolarHBondContact O-CB 3.14Å; A143-Q219 PolarHBondContact O-OE1 3.42Å; L150-Q219 HydrophobicContact CD1-CG 4.43Å; G215-Q219 PolarHBondContact O-N 2.82Å; S216-Q219 PolarHBondContact O-N 3Å; I217-Q219 PolarHBondContact O-N 3.1Å; Q219-A222 WeakPolarHBondContact O-CB 3.36Å; Q219-A222 PolarHBondContact O-N 3.34Å; Q219-S223 PolarHBondContact O-N 3.31Å
220	M	93.6	Very high	85.5	Confident	61 Å²	61	51.5 Å²	51.5	30%	0.3	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-43.2	177	-71	-172	-69	0	0	111.5	L144 S216 I217 S223 A224	L144-M220 HydrophobicContact CD1-CG 4.44Å; S216-M220 WeakPolarHBondContact O-CG 3.22Å; S216-M220 PolarHBondContact O-N 3.02Å; I217-M220 HydrophobicContact CB-CE 4.42Å; I217-M220 HydrophobicContact CG1-CE 3.94Å; I217-M220 PolarHBondContact O-N 3.07Å; M220-S223 WeakPolarHBondContact O-CB 3.35Å; M220-S223 PolarHBondContact O-N 3.1Å; M220-S223 PolarHBondContact O-OG 3.44Å; M220-A224 PolarHBondContact O-N 3.38Å
221	I	92.7	Very high	83.1	Confident	77 Å²	77	54.4 Å²	54.4	40%	0.395	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-41.9	174.5	-65.1	168.6	0	0	0	110.6	L11 I217 L218 S223 A224 I225	L11-I221 HydrophobicContact CD1-CB 4.46Å; L11-I221 HydrophobicContact CD1-CG2 3.79Å; I217-I221 HydrophobicContact CG2-CD1 3.68Å; I217-I221 HydrophobicContact CG2-CG1 4.24Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.38Å; I217-I221 PolarHBondContact O-N 3.27Å; L218-I221 PolarHBondContact O-N 2.89Å; I221-S223 VanDerWaalsContact C-N 3.26Å; I221-S223 PolarHBondContact O-N 3.23Å; I221-A224 PolarHBondContact O-N 2.97Å; I221-A224 VanDerWaalsContact O-N 3.08Å; I221-I225 HydrophobicContact CG2-CD1 3.7Å; I221-I225 HydrophobicContact CG2-CG1 4.45Å; I221-I225 PolarHBondContact O-N 2.91Å
222	A	89.1	Confident	80.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-40.6	175.6	0	0	0	0	0	111.3	W8 L11 N12 L218 Q219 A224 I225 Q226	W8-A222 PolarHBondContact NE1-O 3.09Å; L11-A222 HydrophobicContact CB-CB 3.85Å; L11-A222 HydrophobicContact CD1-CB 4.32Å; N12-A222 WeakPolarHBondContact ND2-CB 3.48Å; L218-A222 WeakPolarHBondContact O-CB 3.45Å; L218-A222 PolarHBondContact O-N 3.03Å; Q219-A222 WeakPolarHBondContact O-CB 3.36Å; Q219-A222 PolarHBondContact O-N 3.34Å; A222-A224 PolarHBondContact O-N 3.47Å; A222-I225 PolarHBondContact O-N 3.13Å; A222-Q226 PolarHBondContact O-N 3.35Å
223	S	89.2	Confident	78.1	Confident	18 Å²	18	65.8 Å²	65.8	13%	0.126	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-32.9	176.9	83.2	0	0	0	0	113.2	Q140 Q219 M220 I221	Q140-S223 WeakPolarHBondContact O-CB 3.44Å; Q219-S223 PolarHBondContact O-N 3.31Å; M220-S223 WeakPolarHBondContact O-CB 3.35Å; M220-S223 PolarHBondContact O-N 3.1Å; M220-S223 PolarHBondContact O-OG 3.44Å; I221-S223 VanDerWaalsContact C-N 3.26Å; I221-S223 PolarHBondContact O-N 3.23Å
224	A	86.5	Confident	75.5	Confident	85 Å²	85	72.4 Å²	72.4	70%	0.702	38%	0.377	S	S	*	.	H	α-helix	trans	-78.4	-29.8	179.2	0	0	0	0	0	113.5	M220 I221 A222	M220-A224 PolarHBondContact O-N 3.38Å; I221-A224 PolarHBondContact O-N 2.97Å; I221-A224 VanDerWaalsContact O-N 3.08Å; A222-A224 PolarHBondContact O-N 3.47Å
225	I	82.8	Confident	72.9	Confident	64 Å²	64	75.1 Å²	75.1	33%	0.328	39%	0.393	S	S	.	.	H	α-helix	trans	-85.6	-27.3	-175.1	-67.4	169.5	0	0	0	112.6	A7 L11 I221 A222 Q227	A7-I225 HydrophobicContact CB-CG2 4.34Å; L11-I225 HydrophobicContact CD1-CD1 3.53Å; I221-I225 HydrophobicContact CG2-CD1 3.7Å; I221-I225 HydrophobicContact CG2-CG1 4.45Å; I221-I225 PolarHBondContact O-N 2.91Å; A222-I225 PolarHBondContact O-N 3.13Å; I225-Q227 PolarHBondContact O-N 3.2Å
226	Q	70.2	Confident	70.4	Confident	39 Å²	39	86.5 Å²	86.5	18%	0.182	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-59	132.3	178.4	-172.9	161.6	13.1	0	0	109.1	W8 A139 Q140 A222	W8-Q226 VanDerWaalsContact CE2-OE1 3.22Å; W8-Q226 HydrophobicContact CG-CB 4.33Å; A139-Q226 VanDerWaalsContact CB-NE2 3.31Å; Q140-Q226 HydrophobicContact CG-CB 3.56Å; Q140-Q226 HydrophobicContact CG-CG 3.8Å; Q140-Q226 PolarHBondContact NE2-O 3.4Å; A222-Q226 PolarHBondContact O-N 3.35Å
227	Q	63.1	Low	69.1	Low	140 Å²	140	90.9 Å²	90.9	65%	0.654	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-98.6	141.4	168.1	-68.6	179.1	-18.5	0	0	107.4	I225	I225-Q227 PolarHBondContact O-N 3.2Å
228	P	57.7	Low	67.7	Low	52 Å²	52	91.2 Å²	91.2	34%	0.338	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-55.5	144.5	170.1	25.3	-32.4	0	0	0	108.3	P136 V230	P136-P228 HydrophobicContact CB-CB 4.16Å; P228-V230 PolarHBondContact O-N 2.67Å
229	P	54	Low	66.1	Low	88 Å²	88	94.1 Å²	94.1	57%	0.571	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-54.2	122.6	169.2	23.3	-30.8	0	0	0	107.5	P136 R231	P136-P229 HydrophobicContact CB-CG 4.1Å; P136-P229 WeakPolarHBondContact O-CD 3.18Å; P229-R231 PolarHBondContact O-N 3.32Å; P229-R231 VanDerWaalsContact O-N 3.13Å
230	V	50.3	Low	64.5	Low	91 Å²	91	99.6 Å²	99.6	55%	0.552	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-58.5	120.5	167.7	178.8	0	0	0	0	104.8	M1 P228 E232	M1-V230 HydrophobicContact CE-CB 4.16Å; M1-V230 HydrophobicContact CE-CG2 3.46Å; M1-V230 VanDerWaalsContact CE-CG2 3.46Å; P228-V230 PolarHBondContact O-N 2.67Å; V230-E232 HydrophobicContact CG1-CG 4.2Å; V230-E232 PolarHBondContact O-N 3.02Å
231	R	48.5	Very low	62.7	Low	178 Å²	178	102.1 Å²	102.1	67%	0.672	54%	0.536	S	S	*	.			trans	-66.2	83	166.6	-76.3	-179.7	179.4	-158.1	4.4	106.5	P229 N233	P229-R231 PolarHBondContact O-N 3.32Å; P229-R231 VanDerWaalsContact O-N 3.13Å; R231-N233 PolarHBondContact O-N 3.44Å
232	E	44.8	Very low	60.7	Low	148 Å²	148	103.7 Å²	103.7	69%	0.692	55%	0.545	S	S	*	.			trans	-66.3	116.1	160.2	-76.3	177.8	173.8	0	0	105.7	V230	V230-E232 HydrophobicContact CG1-CG 4.2Å; V230-E232 PolarHBondContact O-N 3.02Å
233	N	43.4	Very low	58.7	Low	134 Å²	134	111.1 Å²	111.1	72%	0.717	58%	0.584	S	S	*	*			trans	87.5	74.4	171.9	-46.5	-21.5	0	0	0	116.9	R231	R231-N233 PolarHBondContact O-N 3.44Å
234	Y	43.5	Very low	56.3	Low	183 Å²	183	118.3 Å²	118.3	72%	0.718	62%	0.62	S	S	*	*				-108.2	67.8	126.9	-76.4	-90	0	0	0	107.9
235	S	42.5	Very low	53.8	Low	97 Å²	97	121.1 Å²	121.1	68%	0.678	61%	0.613	S	S	*	*			trans	-93.3	104.2	147.7	54.1	0	0	0	0	105.2
236	L	45.2	Very low	51.2	Low	239 Å²	239	126.3 Å²	126.3	100%	1.251	64%	0.639	S	S	*	*			trans	-55.8	0	158.8	-80.9	156.4	0	0	0	109.5

Retrieved 236 of 236 residues in 139.2 ms (Link to these results)

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