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Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB , UniProt , Accession A0A060WDZ1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525805, Length 217 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	48.4	Very low	79.5	Confident	219 Å²	219	74.1 Å²	74.1	100%	1.079	43%	0.425	S	S	*	.				0	-47.2	0	-62.1	-176.5	81.1	0	0	112.8	S3 A4 G5	M1-S3 PolarHBondContact O-N 3.16Å; M1-A4 PolarHBondContact O-N 3.26Å; M1-G5 PolarHBondContact O-N 3.23Å
2	V	57	Low	80.7	Confident	127 Å²	127	70.3 Å²	70.3	77%	0.77	41%	0.413	S	S	*	.	H	α-helix	trans	-60.8	-40.1	-179.6	-178.7	0	0	0	0	113.6	A4 G5 L6	V2-A4 PolarHBondContact O-N 3Å; V2-G5 PolarHBondContact O-N 3.15Å; V2-L6 PolarHBondContact O-N 3Å; V2-L6 VanDerWaalsContact O-N 3.16Å
3	S	72.4	Confident	81.9	Confident	49 Å²	49	67.6 Å²	67.6	34%	0.343	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-41.5	-180	168.6	0	0	0	0	113.2	M1 G5 L6 E7 S184	M1-S3 PolarHBondContact O-N 3.16Å; S3-G5 PolarHBondContact O-N 3.37Å; S3-L6 PolarHBondContact O-N 3.11Å; S3-E7 WeakPolarHBondContact O-CB 3.29Å; S3-E7 PolarHBondContact O-N 3.46Å; S3-S184 PolarHBondContact OG-O 3.09Å
4	A	76.8	Confident	82.8	Confident	29 Å²	29	62.8 Å²	62.8	24%	0.24	37%	0.368	C	S	.	.	H	α-helix	trans	-66.5	-38.1	178.1	0	0	0	0	0	112.9	M1 V2 E7 I8	M1-A4 PolarHBondContact O-N 3.26Å; V2-A4 PolarHBondContact O-N 3Å; A4-E7 PolarHBondContact O-N 3.33Å; A4-I8 WeakPolarHBondContact O-CD1 3.36Å; A4-I8 VanDerWaalsContact O-CG1 3.28Å; A4-I8 WeakPolarHBondContact O-CG1 3.4Å; A4-I8 PolarHBondContact O-N 3.39Å
5	G	82.3	Confident	83.6	Confident	43 Å²	43	61.7 Å²	61.7	44%	0.443	36%	0.362	S	S	.	.	H	α-helix	trans	-65	-39.3	175.8	0	0	0	0	0	112.6	M1 V2 S3 L9	M1-G5 PolarHBondContact O-N 3.23Å; V2-G5 PolarHBondContact O-N 3.15Å; S3-G5 PolarHBondContact O-N 3.37Å; G5-L9 WeakPolarHBondContact O-CB 3.44Å; G5-L9 PolarHBondContact O-N 3.28Å
6	L	85.3	Confident	84.5	Confident	55 Å²	55	63.8 Å²	63.8	29%	0.288	37%	0.37	S	S	.	.	H	α-helix	trans	-69.6	-37.4	177.7	-150.9	77.3	0	0	0	112.1	V2 S3 G10 L180	V2-L6 PolarHBondContact O-N 3Å; V2-L6 VanDerWaalsContact O-N 3.16Å; S3-L6 PolarHBondContact O-N 3.11Å; L6-G10 PolarHBondContact O-N 3.16Å; L6-L180 HydrophobicContact CD1-CD2 3.78Å; L6-L180 HydrophobicContact CD2-CD2 4.18Å; L6-L180 HydrophobicContact CG-CD2 3.9Å
7	E	87.4	Confident	85.1	Confident	20 Å²	20	60 Å²	60	9%	0.093	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-46.2	174.7	-169.2	-177.4	148	0	0	111.8	S3 A4 G10 L11 A102 Q103 V118 L181	S3-E7 WeakPolarHBondContact O-CB 3.29Å; S3-E7 PolarHBondContact O-N 3.46Å; A4-E7 PolarHBondContact O-N 3.33Å; E7-G10 PolarHBondContact O-N 2.91Å; E7-L11 WeakPolarHBondContact O-CB 3.36Å; E7-L11 PolarHBondContact O-N 2.83Å; E7-A102 WeakPolarHBondContact OE1-CA 3.34Å; E7-Q103 PolarHBondContact OE1-N 3.5Å; E7-Q103 WeakPolarHBondContact OE2-CG 3.32Å; E7-Q103 PolarHBondContact OE2-NE2 3.45Å; E7-V118 HydrophobicContact CG-CG1 4.36Å; E7-L181 HydrophobicContact CG-CD2 4.21Å
8	I	88.9	Confident	85.7	Confident	118 Å²	118	57.2 Å²	57.2	61%	0.605	33%	0.333	S	S	*	.	H	α-helix	trans	-64.9	-44.1	177.4	-66.5	163.9	0	0	0	111	A4 L11 G12	A4-I8 WeakPolarHBondContact O-CD1 3.36Å; A4-I8 VanDerWaalsContact O-CG1 3.28Å; A4-I8 WeakPolarHBondContact O-CG1 3.4Å; A4-I8 PolarHBondContact O-N 3.39Å; I8-L11 PolarHBondContact O-N 3.44Å; I8-G12 PolarHBondContact O-N 3.03Å
9	L	92	Very high	86.2	Confident	98 Å²	98	59.3 Å²	59.3	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-49	175.7	-174.5	89.4	0	0	0	110.8	G5 L11 G12 L13 L180	G5-L9 WeakPolarHBondContact O-CB 3.44Å; G5-L9 PolarHBondContact O-N 3.28Å; L9-L11 PolarHBondContact O-N 2.88Å; L9-G12 PolarHBondContact O-N 3.07Å; L9-L13 HydrophobicContact CD2-CD1 4.29Å; L9-L13 HydrophobicContact CG-CD1 4.02Å; L9-L13 WeakPolarHBondContact O-CD1 3.3Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 3.27Å; L9-L180 HydrophobicContact CD2-CD1 3.78Å; L9-L180 HydrophobicContact CG-CD1 4.49Å
10	G	92.4	Very high	86.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-45.4	178.7	0	0	0	0	0	112.2	L6 E7 L13 C14	L6-G10 PolarHBondContact O-N 3.16Å; E7-G10 PolarHBondContact O-N 2.91Å; G10-L13 PolarHBondContact O-N 2.87Å; G10-C14 PolarHBondContact O-N 3.21Å; G10-C14 PolarHBondContact O-SG 2.91Å
11	L	92.1	Very high	87.1	Confident	57 Å²	57	56 Å²	56	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-44.7	175.1	178.4	132.2	0	0	0	111.7	E7 I8 L9 L13 C14 V15 V98	E7-L11 WeakPolarHBondContact O-CB 3.36Å; E7-L11 PolarHBondContact O-N 2.83Å; I8-L11 PolarHBondContact O-N 3.44Å; L9-L11 PolarHBondContact O-N 2.88Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.15Å; L11-C14 PolarHBondContact O-N 2.94Å; L11-V15 HydrophobicContact CD2-CG2 4.3Å; L11-V15 HydrophobicContact CG-CG2 4.36Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.32Å; L11-V15 PolarHBondContact O-N 3.48Å; L11-V98 HydrophobicContact CD1-CB 4.31Å; L11-V98 HydrophobicContact CD1-CG1 3.52Å
12	G	93.9	Very high	89.3	Confident	28 Å²	28	49.8 Å²	49.8	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-58.5	-45	176.7	0	0	0	0	0	112.5	I8 L9 V15 I16	I8-G12 PolarHBondContact O-N 3.03Å; L9-G12 PolarHBondContact O-N 3.07Å; G12-V15 PolarHBondContact O-N 3.22Å; G12-I16 VanDerWaalsContact O-CG1 3.3Å; G12-I16 WeakPolarHBondContact O-CG1 3.39Å; G12-I16 PolarHBondContact O-N 3.19Å
13	L	95.4	Very high	91.1	Very high	36 Å²	36	47 Å²	47	19%	0.188	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-43.7	175.4	-71.6	161	0	0	0	111.9	L9 G10 L11 I16 G17 L173 I176 L180	L9-L13 HydrophobicContact CD2-CD1 4.29Å; L9-L13 HydrophobicContact CG-CD1 4.02Å; L9-L13 WeakPolarHBondContact O-CD1 3.3Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 3.27Å; G10-L13 PolarHBondContact O-N 2.87Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.15Å; L13-I16 PolarHBondContact O-N 3.47Å; L13-G17 PolarHBondContact O-N 3.4Å; L13-L173 HydrophobicContact CD2-CD2 3.46Å; L13-L173 VanDerWaalsContact CD2-CD2 3.46Å; L13-I176 HydrophobicContact CD1-CG2 4.21Å; L13-L180 HydrophobicContact CD1-CD1 3.48Å; L13-L180 VanDerWaalsContact CD1-CD1 3.48Å
14	C	95	Very high	92.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-39.4	177.4	-71.6	0	0	0	0	112.8	G10 L11 G17 S18 Y125 L174 G178	G10-C14 PolarHBondContact O-N 3.21Å; G10-C14 PolarHBondContact O-SG 2.91Å; L11-C14 PolarHBondContact O-N 2.94Å; C14-G17 PolarHBondContact O-N 3.48Å; C14-S18 WeakPolarHBondContact O-CB 3.42Å; C14-S18 PolarHBondContact O-N 3.04Å; C14-S18 PolarHBondContact O-OG 3.45Å; C14-Y125 HydrophobicContact CB-CD1 4.06Å; C14-Y125 HydrophobicContact CB-CD2 3.91Å; C14-Y125 HydrophobicContact CB-CE1 3.9Å; C14-Y125 HydrophobicContact CB-CE2 3.75Å; C14-Y125 HydrophobicContact CB-CG 4.04Å; C14-L174 WeakPolarHBondContact O-CD2 3.24Å; C14-G178 PolarHBondContact SG-N 3.41Å; C14-G178 VanDerWaalsContact SG-N 3.44Å
15	V	95.4	Very high	92.8	Very high	46 Å²	46	44 Å²	44	28%	0.279	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-49	176.6	171.6	0	0	0	0	110.2	L11 G12 G17 S18 L19 L95	L11-V15 HydrophobicContact CD2-CG2 4.3Å; L11-V15 HydrophobicContact CG-CG2 4.36Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.32Å; L11-V15 PolarHBondContact O-N 3.48Å; G12-V15 PolarHBondContact O-N 3.22Å; V15-G17 VanDerWaalsContact C-N 3.35Å; V15-G17 PolarHBondContact O-N 3.26Å; V15-S18 PolarHBondContact O-N 3.31Å; V15-S18 PolarHBondContact O-OG 3.12Å; V15-L19 HydrophobicContact CG1-CD1 4.27Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 3.49Å; V15-L95 HydrophobicContact CG2-CD1 3.92Å
16	I	96.6	Very high	93.1	Very high	95 Å²	95	44.1 Å²	44.1	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-45	177.6	-64.4	166.4	0	0	0	110.4	G12 L13 S18 L19 L20 L173	G12-I16 VanDerWaalsContact O-CG1 3.3Å; G12-I16 WeakPolarHBondContact O-CG1 3.39Å; G12-I16 PolarHBondContact O-N 3.19Å; L13-I16 PolarHBondContact O-N 3.47Å; I16-S18 PolarHBondContact O-N 3.02Å; I16-L19 PolarHBondContact O-N 3.28Å; I16-L20 HydrophobicContact CG2-CD1 4.14Å; I16-L20 HydrophobicContact CG2-CG 4.44Å; I16-L20 WeakPolarHBondContact O-CG 3.39Å; I16-L20 PolarHBondContact O-N 3.44Å; I16-L173 HydrophobicContact CG2-CD1 4.04Å
17	G	96	Very high	93.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-47.8	177.1	0	0	0	0	0	112.4	L13 C14 V15 L19 L20 V21	L13-G17 PolarHBondContact O-N 3.4Å; C14-G17 PolarHBondContact O-N 3.48Å; V15-G17 VanDerWaalsContact C-N 3.35Å; V15-G17 PolarHBondContact O-N 3.26Å; G17-L19 PolarHBondContact O-N 2.92Å; G17-L20 PolarHBondContact O-N 3.08Å; G17-V21 WeakPolarHBondContact O-CG2 3.42Å; G17-V21 PolarHBondContact O-N 3.14Å
18	S	95.3	Very high	93.3	Very high	10 Å²	10	43.7 Å²	43.7	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-37.3	179.1	61.3	0	0	0	0	113.1	C14 V15 I16 V21 M22	C14-S18 WeakPolarHBondContact O-CB 3.42Å; C14-S18 PolarHBondContact O-N 3.04Å; C14-S18 PolarHBondContact O-OG 3.45Å; V15-S18 PolarHBondContact O-N 3.31Å; V15-S18 PolarHBondContact O-OG 3.12Å; I16-S18 PolarHBondContact O-N 3.02Å; S18-V21 PolarHBondContact O-N 3.46Å; S18-M22 PolarHBondContact O-N 3.44Å; S18-M22 VanDerWaalsContact O-N 3.11Å
19	L	95.8	Very high	93.3	Very high	97 Å²	97	40.4 Å²	40.4	51%	0.508	24%	0.235	S	C	.	.	H	α-helix	trans	-63.3	-43.8	172.6	-71	174.4	0	0	0	111.8	V15 I16 G17 V21 M22 V23	V15-L19 HydrophobicContact CG1-CD1 4.27Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 3.49Å; I16-L19 PolarHBondContact O-N 3.28Å; G17-L19 PolarHBondContact O-N 2.92Å; L19-V21 VanDerWaalsContact C-N 3.3Å; L19-V21 PolarHBondContact O-N 3.41Å; L19-M22 WeakPolarHBondContact O-CB 3.17Å; L19-M22 PolarHBondContact O-N 3.47Å; L19-V23 WeakPolarHBondContact O-CG2 3.5Å; L19-V23 PolarHBondContact O-N 2.96Å
20	L	95.6	Very high	93.2	Very high	47 Å²	47	35.8 Å²	35.8	25%	0.246	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-36.3	176.4	-68.2	174.5	0	0	0	111.8	I16 G17 M22 V23 V24 I166 A170 L173	I16-L20 HydrophobicContact CG2-CD1 4.14Å; I16-L20 HydrophobicContact CG2-CG 4.44Å; I16-L20 WeakPolarHBondContact O-CG 3.39Å; I16-L20 PolarHBondContact O-N 3.44Å; G17-L20 PolarHBondContact O-N 3.08Å; L20-M22 PolarHBondContact O-N 3.04Å; L20-V23 PolarHBondContact O-N 2.85Å; L20-V24 WeakPolarHBondContact O-CB 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.35Å; L20-V24 PolarHBondContact O-N 3.28Å; L20-I166 HydrophobicContact CB-CG2 4.27Å; L20-I166 HydrophobicContact CD2-CG2 3.96Å; L20-A170 HydrophobicContact CB-CB 3.54Å; L20-A170 HydrophobicContact CD1-CB 4.36Å; L20-L173 HydrophobicContact CD1-CD1 3.69Å
21	V	95	Very high	92.9	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-42.1	173.2	175.8	0	0	0	0	111.4	G17 S18 L19 V23 V24 C25 V132 A170 L174	G17-V21 WeakPolarHBondContact O-CG2 3.42Å; G17-V21 PolarHBondContact O-N 3.14Å; S18-V21 PolarHBondContact O-N 3.46Å; L19-V21 VanDerWaalsContact C-N 3.3Å; L19-V21 PolarHBondContact O-N 3.41Å; V21-V23 VanDerWaalsContact C-N 3.34Å; V21-V23 PolarHBondContact O-N 3.35Å; V21-V24 PolarHBondContact O-N 3.01Å; V21-C25 WeakPolarHBondContact O-CB 3.45Å; V21-C25 PolarHBondContact O-N 2.96Å; V21-V132 HydrophobicContact CB-CG2 4.45Å; V21-V132 HydrophobicContact CG1-CG2 3.62Å; V21-V132 HydrophobicContact CG2-CG1 4.35Å; V21-V132 HydrophobicContact CG2-CG2 3.86Å; V21-A170 HydrophobicContact CG2-CB 3.88Å; V21-L174 HydrophobicContact CG2-CD1 3.69Å
22	M	94.3	Very high	92.6	Very high	87 Å²	87	34.7 Å²	34.7	43%	0.429	21%	0.205	S	C	.	.	H	α-helix	trans	-62.4	-42	174.7	-65.9	-172.8	-156.9	0	0	111.8	S18 L19 L20 C25 G26 V92	S18-M22 PolarHBondContact O-N 3.44Å; S18-M22 VanDerWaalsContact O-N 3.11Å; L19-M22 WeakPolarHBondContact O-CB 3.17Å; L19-M22 PolarHBondContact O-N 3.47Å; L20-M22 PolarHBondContact O-N 3.04Å; M22-C25 WeakPolarHBondContact O-CB 3.2Å; M22-C25 PolarHBondContact O-N 2.84Å; M22-G26 PolarHBondContact O-N 2.87Å; M22-G26 VanDerWaalsContact O-N 3.07Å; M22-V92 HydrophobicContact CE-CG2 3.98Å
23	V	94.6	Very high	91.9	Very high	70 Å²	70	33.8 Å²	33.8	42%	0.424	19%	0.194	S	C	.	.	H	α-helix	trans	-62.1	-44.9	176.2	169	0	0	0	0	111	L19 L20 V21 C25 G26 L27	L19-V23 WeakPolarHBondContact O-CG2 3.5Å; L19-V23 PolarHBondContact O-N 2.96Å; L20-V23 PolarHBondContact O-N 2.85Å; V21-V23 VanDerWaalsContact C-N 3.34Å; V21-V23 PolarHBondContact O-N 3.35Å; V23-C25 VanDerWaalsContact C-N 3.32Å; V23-C25 PolarHBondContact O-N 2.78Å; V23-G26 PolarHBondContact O-N 2.81Å; V23-L27 HydrophobicContact CG1-CD1 3.43Å; V23-L27 VanDerWaalsContact CG1-CD1 3.43Å; V23-L27 HydrophobicContact CG1-CG 4.01Å; V23-L27 VanDerWaalsContact O-CB 3.31Å; V23-L27 WeakPolarHBondContact O-CB 2.97Å; V23-L27 WeakPolarHBondContact O-CG 3.44Å; V23-L27 PolarHBondContact O-N 3.18Å
24	V	93.8	Very high	90.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-39.6	176.3	169.6	0	0	0	0	111.2	L20 V21 G26 W30 L136 A163 I166	L20-V24 WeakPolarHBondContact O-CB 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.35Å; L20-V24 PolarHBondContact O-N 3.28Å; V21-V24 PolarHBondContact O-N 3.01Å; V24-G26 VanDerWaalsContact C-N 3.34Å; V24-G26 PolarHBondContact O-N 3.05Å; V24-W30 HydrophobicContact CG1-CH2 4.26Å; V24-W30 HydrophobicContact CG1-CZ2 3.54Å; V24-W30 PolarHBondContact O-NE1 2.97Å; V24-L136 HydrophobicContact CG1-CD2 4.5Å; V24-A163 HydrophobicContact CG1-CB 4.48Å; V24-I166 HydrophobicContact CG2-CB 3.77Å; V24-I166 HydrophobicContact CG2-CG2 3.54Å
25	C	92.1	Very high	89.1	Confident	13 Å²	13	36.4 Å²	36.4	9%	0.088	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-39.9	175.4	-172	0	0	0	0	112.2	V21 M22 V23 W51	V21-C25 WeakPolarHBondContact O-CB 3.45Å; V21-C25 PolarHBondContact O-N 2.96Å; M22-C25 WeakPolarHBondContact O-CB 3.2Å; M22-C25 PolarHBondContact O-N 2.84Å; V23-C25 VanDerWaalsContact C-N 3.32Å; V23-C25 PolarHBondContact O-N 2.78Å; C25-W51 PolarHBondContact O-NE1 3.35Å
26	G	88.7	Confident	87.3	Confident	44 Å²	44	41.1 Å²	41.1	45%	0.454	23%	0.231	S	C	.	.	H	α-helix	trans	-83.7	-28.2	-178.4	0	0	0	0	0	115.2	M22 V23 V24	M22-G26 PolarHBondContact O-N 2.87Å; M22-G26 VanDerWaalsContact O-N 3.07Å; V23-G26 PolarHBondContact O-N 2.81Å; V24-G26 VanDerWaalsContact C-N 3.34Å; V24-G26 PolarHBondContact O-N 3.05Å
27	L	89.8	Confident	85.2	Confident	39 Å²	39	42.4 Å²	42.4	20%	0.204	24%	0.235	C	C	.	.			trans	-68.3	132.5	-173.5	-90.4	169.5	0	0	0	112.6	V23 M29 W30 A163 I166	V23-L27 HydrophobicContact CG1-CD1 3.43Å; V23-L27 VanDerWaalsContact CG1-CD1 3.43Å; V23-L27 HydrophobicContact CG1-CG 4.01Å; V23-L27 VanDerWaalsContact O-CB 3.31Å; V23-L27 WeakPolarHBondContact O-CB 2.97Å; V23-L27 WeakPolarHBondContact O-CG 3.44Å; V23-L27 PolarHBondContact O-N 3.18Å; L27-M29 HydrophobicContact CD1-CE 4.41Å; L27-M29 HydrophobicContact CD2-CE 3.6Å; L27-M29 PolarHBondContact O-N 3.03Å; L27-M29 VanDerWaalsContact O-N 3.07Å; L27-W30 VanDerWaalsContact O-CD1 3.29Å; L27-A163 HydrophobicContact CB-CB 4.29Å; L27-I166 HydrophobicContact CD1-CD1 3.9Å
28	P	87.8	Confident	83.1	Confident	27 Å²	27	47.6 Å²	47.6	18%	0.175	28%	0.278	C	S	.	.	S	Bend	trans	-84.1	28.6	179.1	34.9	-35.9	0	0	0	114.2	W47 D48 G49 M52	P28-W47 CarbonylContact O-C 3.18Å; P28-W47 WeakPolarHBondContact O-CB 3.18Å; P28-D48 CarbonylContact O-C 3.47Å; P28-G49 VanDerWaalsContact C-CA 3.49Å; P28-G49 PolarHBondContact O-N 3.41Å; P28-M52 HydrophobicContact CB-CG 3.66Å; P28-M52 HydrophobicContact CB-SD 4.33Å; P28-M52 HydrophobicContact CG-CG 4.36Å; P28-M52 HydrophobicContact CG-SD 4.4Å
29	M	88.1	Confident	80.8	Confident	50 Å²	50	52.4 Å²	52.4	25%	0.246	30%	0.303	C	S	.	.			trans	-119.3	46.3	-171	-57.2	-163.6	-82	0	0	112.3	L27 W47 G161 A162 A163	L27-M29 HydrophobicContact CD1-CE 4.41Å; L27-M29 HydrophobicContact CD2-CE 3.6Å; L27-M29 PolarHBondContact O-N 3.03Å; L27-M29 VanDerWaalsContact O-N 3.07Å; M29-W47 HydrophobicContact CB-CE3 4.06Å; M29-W47 HydrophobicContact CB-CZ3 4.38Å; M29-W47 HydrophobicContact CG-CE3 3.54Å; M29-W47 HydrophobicContact CG-CZ3 3.87Å; M29-W47 HydrophobicContact SD-CE3 3.71Å; M29-W47 HydrophobicContact SD-CH2 4.28Å; M29-W47 HydrophobicContact SD-CZ3 3.38Å; M29-W47 WeakPolarHBondContact SD-CZ3 3.39Å; M29-G161 CarbonylContact O-C 3.55Å; M29-G161 WeakPolarHBondContact O-CA 3.23Å; M29-A162 HydrophobicContact CB-CB 4.26Å; M29-A162 HydrophobicContact CE-CB 4.07Å; M29-A162 PolarHBondContact O-N 3.48Å; M29-A162 HydrophobicContact SD-CB 4.13Å; M29-A163 HydrophobicContact CB-CB 4.41Å; M29-A163 WeakPolarHBondContact O-CB 3.44Å; M29-A163 PolarHBondContact O-N 3.44Å
30	W	89.8	Confident	78.8	Confident	1 Å²	1	55 Å²	55	0%	0.004	32%	0.316	C	S	.	.	S	Bend	trans	-86.1	-41.8	179.1	-80.4	66.2	0	0	0	112.1	V24 L27 D48 L50 A80 T84 L136 G161 A163 L164	V24-W30 HydrophobicContact CG1-CH2 4.26Å; V24-W30 HydrophobicContact CG1-CZ2 3.54Å; V24-W30 PolarHBondContact O-NE1 2.97Å; L27-W30 VanDerWaalsContact O-CD1 3.29Å; W30-D48 WeakPolarHBondContact CB-O 3.39Å; W30-D48 PolarHBondContact N-O 3.22Å; W30-L50 HydrophobicContact CD2-CD1 3.96Å; W30-L50 HydrophobicContact CE3-CD1 4.14Å; W30-L50 HydrophobicContact CH2-CD1 4.25Å; W30-L50 HydrophobicContact CZ2-CD1 4.05Å; W30-L50 HydrophobicContact CZ2-CD2 4.1Å; W30-L50 HydrophobicContact CZ3-CD1 4.29Å; W30-A80 HydrophobicContact CZ3-CB 4.32Å; W30-T84 HydrophobicContact CH2-CG2 3.6Å; W30-T84 HydrophobicContact CZ2-CG2 3.9Å; W30-L136 HydrophobicContact CH2-CD2 3.89Å; W30-L136 HydrophobicContact CZ3-CD2 3.88Å; W30-G161 PolarHBondContact O-N 3.19Å; W30-A163 HydrophobicContact CG-CB 4.24Å; W30-L164 HydrophobicContact CB-CD1 4.19Å; W30-L164 HydrophobicContact CD2-CD1 4.3Å; W30-L164 HydrophobicContact CE3-CD1 4.03Å; W30-L164 HydrophobicContact CG-CD1 4.4Å; W30-L164 WeakPolarHBondContact O-CD1 3.25Å
31	K	86.2	Confident	76.8	Confident	17 Å²	17	58.7 Å²	58.7	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140	171.7	-53	175.9	176.2	-178.4	0	108.9	D48 M139 I143 R158	K31-D48 HydrophobicContact CB-CB 4.07Å; K31-D48 PolarHBondContact N-O 2.95Å; K31-D48 PolarHBondContact O-N 3.27Å; K31-M139 HydrophobicContact CD-SD 4.36Å; K31-M139 WeakPolarHBondContact CE-SD 2.93Å; K31-M139 PolarHBondContact NZ-SD 3.26Å; K31-I143 HydrophobicContact CG-CD1 4.02Å; K31-I143 HydrophobicContact CG-CG1 4.35Å; K31-R158 VanDerWaalsContact CD-NH1 3.28Å
32	V	85	Confident	75	Confident	17 Å²	17	62 Å²	62	10%	0.103	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.1	173.8	-179.8	0	0	0	0	107.7	T45 I46 W47 E159	V32-T45 HydrophobicContact CG1-CG2 4.03Å; V32-I46 WeakPolarHBondContact CA-O 3.4Å; V32-W47 HydrophobicContact CG2-CD2 4.33Å; V32-W47 HydrophobicContact CG2-CE3 3.67Å; V32-W47 HydrophobicContact CG2-CZ3 3.91Å; V32-E159 HydrophobicContact CB-CB 4.49Å; V32-E159 PolarHBondContact N-O 2.76Å; V32-E159 VanDerWaalsContact N-O 3.09Å; V32-E159 PolarHBondContact O-N 2.98Å
33	T	79.6	Confident	73.3	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.1	170.9	61.7	0	0	0	0	108.2	F35 I46 R158	T33-F35 WeakPolarHBondContact OG1-CE2 2.92Å; T33-I46 PolarHBondContact N-O 3.41Å; T33-I46 PolarHBondContact O-N 3.46Å; T33-I46 WeakPolarHBondContact OG1-CB 3.46Å; T33-R158 HydrophobicContact CG2-CB 4.04Å; T33-R158 HydrophobicContact CG2-CG 3.64Å
34	A	68.1	Low	72.2	Confident	30 Å²	30	58.8 Å²	58.8	25%	0.248	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.7	172.2	0	0	0	0	0	108.2	I36	A34-I36 HydrophobicContact CB-CD1 3.53Å; A34-I36 PolarHBondContact O-N 3.46Å; A34-I36 VanDerWaalsContact O-N 3.17Å
35	F	64.4	Low	71.6	Confident	60 Å²	60	61 Å²	61	26%	0.263	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	98.4	174	-71.6	-96.9	0	0	0	108.6	T33 Q44 I46 S155	T33-F35 WeakPolarHBondContact OG1-CE2 2.92Å; F35-Q44 HydrophobicContact CB-CG 3.94Å; F35-Q44 WeakPolarHBondContact CB-O 3.01Å; F35-Q44 HydrophobicContact CD2-CG 3.6Å; F35-Q44 WeakPolarHBondContact CD2-O 3.48Å; F35-Q44 HydrophobicContact CE2-CG 4.38Å; F35-Q44 HydrophobicContact CG-CG 3.9Å; F35-Q44 PolarHBondContact N-O 2.82Å; F35-I46 HydrophobicContact CD2-CD1 4.12Å; F35-I46 HydrophobicContact CD2-CG1 4.09Å; F35-I46 HydrophobicContact CE2-CB 4.49Å; F35-I46 HydrophobicContact CE2-CD1 3.34Å; F35-I46 HydrophobicContact CE2-CG1 3.69Å; F35-I46 HydrophobicContact CZ-CD1 4.06Å; F35-S155 WeakPolarHBondContact CD1-O 3.39Å; F35-S155 WeakPolarHBondContact CE1-O 3.41Å
36	I	56.3	Low	71.2	Confident	145 Å²	145	61.7 Å²	61.7	74%	0.744	36%	0.362	S	S	*	.			trans	-116.2	75.1	168.5	-50.9	106.4	0	0	0	108.3	A34	A34-I36 HydrophobicContact CB-CD1 3.53Å; A34-I36 PolarHBondContact O-N 3.46Å; A34-I36 VanDerWaalsContact O-N 3.17Å
37	E	52.6	Low	71.1	Confident	123 Å²	123	63.5 Å²	63.5	58%	0.575	36%	0.355	S	S	*	.	S	Bend	trans	-104.4	156.5	160.8	-126.6	166.2	-170.3	0	0	108.5	N39 S155	E37-N39 PolarHBondContact O-N 2.79Å; E37-S155 WeakPolarHBondContact OE2-CB 3.22Å; E37-S155 PolarHBondContact OE2-OG 3.35Å; E37-S155 VanDerWaalsContact OE2-OG 3.05Å
38	A	52.4	Low	71	Confident	109 Å²	109	63.2 Å²	63.2	90%	0.901	35%	0.354	S	S	*	.	S	Bend	trans	-58	10.7	-158.7	0	0	0	0	0	118.5
39	N	46.9	Very low	71.1	Confident	111 Å²	111	62 Å²	62	59%	0.594	35%	0.345	S	S	*	.			trans	-110.4	96.7	175.1	-127.1	-25.4	0	0	0	109.9	E37 V41 V42	E37-N39 PolarHBondContact O-N 2.79Å; N39-V41 PolarHBondContact O-N 3.32Å; N39-V42 PolarHBondContact O-N 3.25Å; N39-V42 VanDerWaalsContact O-N 3.09Å
40	I	52.9	Low	71	Confident	151 Å²	151	59.6 Å²	59.6	77%	0.774	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-56	-22.3	-178.9	-56.2	167.8	0	0	0	111.8	V42	I40-V42 PolarHBondContact O-N 3.38Å
41	V	54.7	Low	71	Confident	124 Å²	124	64.9 Å²	64.9	75%	0.752	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-68.5	-17.1	-179.9	-176.4	0	0	0	0	113.4	N39	N39-V41 PolarHBondContact O-N 3.32Å
42	V	56.7	Low	71.1	Confident	73 Å²	73	67 Å²	67	44%	0.442	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-124.6	15.7	-175.8	-147.4	0	0	0	0	113.4	N39 I40 Q44	N39-V42 PolarHBondContact O-N 3.25Å; N39-V42 VanDerWaalsContact O-N 3.09Å; I40-V42 PolarHBondContact O-N 3.38Å; V42-Q44 PolarHBondContact O-N 2.91Å
43	A	60	Low	71.3	Confident	36 Å²	36	67.5 Å²	67.5	30%	0.298	37%	0.369	S	S	.	.			trans	-60.7	113.9	176.4	0	0	0	0	0	109.9	S58	A43-S58 PolarHBondContact O-N 2.99Å; A43-S58 PolarHBondContact O-OG 3.46Å
44	Q	70.1	Confident	71.7	Confident	53 Å²	53	67.7 Å²	67.7	25%	0.248	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.6	-177.9	64.5	-173	-87.6	0	0	109.6	F35 V42 I46 V55 V56	F35-Q44 HydrophobicContact CB-CG 3.94Å; F35-Q44 WeakPolarHBondContact CB-O 3.01Å; F35-Q44 HydrophobicContact CD2-CG 3.6Å; F35-Q44 WeakPolarHBondContact CD2-O 3.48Å; F35-Q44 HydrophobicContact CE2-CG 4.38Å; F35-Q44 HydrophobicContact CG-CG 3.9Å; F35-Q44 PolarHBondContact N-O 2.82Å; V42-Q44 PolarHBondContact O-N 2.91Å; Q44-I46 HydrophobicContact CG-CG1 4.38Å; Q44-V55 HydrophobicContact CB-CG1 4.12Å; Q44-V56 WeakPolarHBondContact CA-O 3.44Å
45	T	81.1	Confident	72.6	Confident	49 Å²	49	68.1 Å²	68.1	30%	0.301	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.6	172.1	-54	0	0	0	0	107.7	V32 W47 V56	V32-T45 HydrophobicContact CG1-CG2 4.03Å; T45-W47 HydrophobicContact CG2-CZ2 4.43Å; T45-V56 PolarHBondContact N-O 2.85Å; T45-V56 PolarHBondContact O-N 3.02Å
46	I	84.1	Confident	73.6	Confident	28 Å²	28	67.9 Å²	67.9	14%	0.144	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.8	177.8	-47.9	-172.4	0	0	0	108.9	V32 T33 F35 Q44 C54 V55	V32-I46 WeakPolarHBondContact CA-O 3.4Å; T33-I46 PolarHBondContact N-O 3.41Å; T33-I46 PolarHBondContact O-N 3.46Å; T33-I46 WeakPolarHBondContact OG1-CB 3.46Å; F35-I46 HydrophobicContact CD2-CD1 4.12Å; F35-I46 HydrophobicContact CD2-CG1 4.09Å; F35-I46 HydrophobicContact CE2-CB 4.49Å; F35-I46 HydrophobicContact CE2-CD1 3.34Å; F35-I46 HydrophobicContact CE2-CG1 3.69Å; F35-I46 HydrophobicContact CZ-CD1 4.06Å; Q44-I46 HydrophobicContact CG-CG1 4.38Å; I46-C54 WeakPolarHBondContact CA-O 3.5Å; I46-V55 HydrophobicContact CB-CG2 4.44Å; I46-V55 HydrophobicContact CD1-CG2 4.26Å; I46-V55 HydrophobicContact CG1-CG1 4.22Å; I46-V55 HydrophobicContact CG1-CG2 4Å; I46-V55 HydrophobicContact CG2-CG2 4.06Å
47	W	87.3	Confident	74.9	Confident	81 Å²	81	65.1 Å²	65.1	31%	0.307	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	103.6	175.3	-53.9	75.1	0	0	0	106.8	P28 M29 V32 T45 S53 C54	P28-W47 CarbonylContact O-C 3.18Å; P28-W47 WeakPolarHBondContact O-CB 3.18Å; M29-W47 HydrophobicContact CB-CE3 4.06Å; M29-W47 HydrophobicContact CB-CZ3 4.38Å; M29-W47 HydrophobicContact CG-CE3 3.54Å; M29-W47 HydrophobicContact CG-CZ3 3.87Å; M29-W47 HydrophobicContact SD-CE3 3.71Å; M29-W47 HydrophobicContact SD-CH2 4.28Å; M29-W47 HydrophobicContact SD-CZ3 3.38Å; M29-W47 WeakPolarHBondContact SD-CZ3 3.39Å; V32-W47 HydrophobicContact CG2-CD2 4.33Å; V32-W47 HydrophobicContact CG2-CE3 3.67Å; V32-W47 HydrophobicContact CG2-CZ3 3.91Å; T45-W47 HydrophobicContact CG2-CZ2 4.43Å; W47-S53 CarbonylContact O-C 3.43Å; W47-S53 WeakPolarHBondContact O-CA 3.39Å; W47-C54 HydrophobicContact CB-CB 4.29Å; W47-C54 PolarHBondContact N-O 2.99Å; W47-C54 PolarHBondContact O-N 3.27Å
48	D	87.6	Confident	75.9	Confident	34 Å²	34	63.2 Å²	63.2	18%	0.182	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.5	175.1	-82.9	-23.1	0	0	0	108.4	P28 W30 K31 R158	P28-D48 CarbonylContact O-C 3.47Å; W30-D48 WeakPolarHBondContact CB-O 3.39Å; W30-D48 PolarHBondContact N-O 3.22Å; K31-D48 HydrophobicContact CB-CB 4.07Å; K31-D48 PolarHBondContact N-O 2.95Å; K31-D48 PolarHBondContact O-N 3.27Å; D48-R158 IonicContact OD2-CZ 2.76Å; D48-R158 IonicContact OD2-NH1 3.88Å; D48-R158 PolarHBondContact OD2-NH1 3.28Å
49	G	89.1	Confident	77	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.346	C	S	.	.			trans	-94.3	176.1	172.8	0	0	0	0	0	113.6	P28 M52 L77	P28-G49 VanDerWaalsContact C-CA 3.49Å; P28-G49 PolarHBondContact O-N 3.41Å; G49-M52 WeakPolarHBondContact CA-O 3.19Å; G49-M52 PolarHBondContact N-O 3.49Å; G49-L77 WeakPolarHBondContact O-CD2 3.28Å
50	L	86.8	Confident	78.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-71.1	-40.3	171.7	-142.8	70.7	0	0	0	111	W30 L77 A80 R81 T84	W30-L50 HydrophobicContact CD2-CD1 3.96Å; W30-L50 HydrophobicContact CE3-CD1 4.14Å; W30-L50 HydrophobicContact CH2-CD1 4.25Å; W30-L50 HydrophobicContact CZ2-CD1 4.05Å; W30-L50 HydrophobicContact CZ2-CD2 4.1Å; W30-L50 HydrophobicContact CZ3-CD1 4.29Å; L50-L77 HydrophobicContact CD1-CG 4.35Å; L50-A80 HydrophobicContact CD1-CB 3.86Å; L50-R81 HydrophobicContact CD1-CG 4.23Å; L50-R81 HydrophobicContact CD2-CB 4.33Å; L50-R81 HydrophobicContact CD2-CG 3.87Å; L50-R81 HydrophobicContact CG-CB 4.46Å; L50-R81 HydrophobicContact CG-CG 3.54Å; L50-R81 PolarHBondContact O-NE 3.15Å; L50-R81 PolarHBondContact O-NH2 3.05Å; L50-T84 HydrophobicContact CD2-CG2 4.4Å; L50-T84 VanDerWaalsContact CD2-OG1 3.26Å; L50-T84 WeakPolarHBondContact CD2-OG1 3.24Å
51	W	89	Confident	79.7	Confident	113 Å²	113	59.6 Å²	59.6	43%	0.428	34%	0.339	S	S	.	.	S	Bend	trans	-110.9	-23.6	-174.5	-59.2	92.7	0	0	0	115.1	C25 H67 V85	C25-W51 PolarHBondContact O-NE1 3.35Å; W51-H67 PolarHBondContact O-CD2 2.89Å; W51-H67 PolarHBondContact O-N 3.02Å; W51-V85 HydrophobicContact CH2-CG2 4.37Å; W51-V85 HydrophobicContact CZ2-CG2 3.88Å
52	M	88.8	Confident	81.2	Confident	62 Å²	62	60.8 Å²	60.8	31%	0.305	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.6	-179.4	68.1	-176.6	77.2	0	0	109.8	P28 G49 C64 K65 V66	P28-M52 HydrophobicContact CB-CG 3.66Å; P28-M52 HydrophobicContact CB-SD 4.33Å; P28-M52 HydrophobicContact CG-CG 4.36Å; P28-M52 HydrophobicContact CG-SD 4.4Å; G49-M52 WeakPolarHBondContact CA-O 3.19Å; G49-M52 PolarHBondContact N-O 3.49Å; M52-C64 HydrophobicContact SD-CB 4.43Å; M52-K65 WeakPolarHBondContact CA-O 3.49Å; M52-V66 HydrophobicContact CB-CG2 4.34Å
53	S	88.3	Confident	82.6	Confident	26 Å²	26	63.8 Å²	63.8	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.4	170.2	54.9	0	0	0	0	109.2	W47 C64 K65	W47-S53 CarbonylContact O-C 3.43Å; W47-S53 WeakPolarHBondContact O-CA 3.39Å; S53-C64 WeakPolarHBondContact O-CA 3.43Å; S53-K65 PolarHBondContact N-O 3.38Å; S53-K65 PolarHBondContact O-N 2.96Å; S53-K65 PolarHBondContact OG-O 2.9Å
54	C	88.8	Confident	84	Confident	13 Å²	13	65.6 Å²	65.6	9%	0.088	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.9	176.3	-62.6	0	0	0	0	110.3	I46 W47 Q63 C64	I46-C54 WeakPolarHBondContact CA-O 3.5Å; W47-C54 HydrophobicContact CB-CB 4.29Å; W47-C54 PolarHBondContact N-O 2.99Å; W47-C54 PolarHBondContact O-N 3.27Å; C54-Q63 CarbonylContact C-O 3.58Å; C54-Q63 WeakPolarHBondContact CA-O 3.25Å; C54-C64 HydrophobicContact CB-CB 4.16Å; C54-C64 WeakPolarHBondContact CB-SG 3.45Å; C54-C64 WeakPolarHBondContact SG-CB 3.26Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.16Å
55	V	87.4	Confident	84.8	Confident	39 Å²	39	68.9 Å²	68.9	24%	0.236	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.4	176.3	-177	0	0	0	0	108.4	Q44 I46 Q63	Q44-V55 HydrophobicContact CB-CG1 4.12Å; I46-V55 HydrophobicContact CB-CG2 4.44Å; I46-V55 HydrophobicContact CD1-CG2 4.26Å; I46-V55 HydrophobicContact CG1-CG1 4.22Å; I46-V55 HydrophobicContact CG1-CG2 4Å; I46-V55 HydrophobicContact CG2-CG2 4.06Å; V55-Q63 PolarHBondContact N-O 2.91Å; V55-Q63 PolarHBondContact O-N 3.15Å
56	V	85	Confident	85.2	Confident	56 Å²	56	71 Å²	71	34%	0.339	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.4	171.8	-178.7	0	0	0	0	108	Q44 T45 M62	Q44-V56 WeakPolarHBondContact CA-O 3.44Å; T45-V56 PolarHBondContact N-O 2.85Å; T45-V56 PolarHBondContact O-N 3.02Å; V56-M62 HydrophobicContact CG2-CB 4.29Å
57	Q	82.4	Confident	85.1	Confident	87 Å²	87	71.8 Å²	71.8	41%	0.407	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	155.6	-179.2	-152.9	161.1	0.4	0	0	110.3	T59 G60 Q61	Q57-T59 PolarHBondContact O-N 2.9Å; Q57-G60 PolarHBondContact O-N 2.86Å; Q57-Q61 PolarHBondContact N-O 3.17Å
58	S	74.4	Confident	84.4	Confident	82 Å²	82	73.9 Å²	73.9	57%	0.573	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.1	-177.1	-44.2	0	0	0	0	114.7	A43 G60	A43-S58 PolarHBondContact O-N 2.99Å; A43-S58 PolarHBondContact O-OG 3.46Å; S58-G60 PolarHBondContact O-N 2.96Å
59	T	75.1	Confident	83.5	Confident	108 Å²	108	75.6 Å²	75.6	66%	0.663	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-1.1	173.6	53.9	0	0	0	0	113.7	Q57 Q61	Q57-T59 PolarHBondContact O-N 2.9Å; T59-Q61 PolarHBondContact O-N 3.45Å
60	G	76.3	Confident	82.2	Confident	61 Å²	61	79.2 Å²	79.2	63%	0.629	44%	0.439	S	S	*	.	S	Bend	trans	79.5	0.6	-179.4	0	0	0	0	0	114.2	Q57 S58	Q57-G60 PolarHBondContact O-N 2.86Å; S58-G60 PolarHBondContact O-N 2.96Å
61	Q	81	Confident	80.8	Confident	126 Å²	126	87.4 Å²	87.4	59%	0.589	48%	0.482	S	S	*	.			trans	-75.9	126.5	174.7	-64.9	-67.6	-61.1	0	0	109.8	Q57 T59	Q57-Q61 PolarHBondContact N-O 3.17Å; T59-Q61 PolarHBondContact O-N 3.45Å
62	M	85.1	Confident	79.2	Confident	150 Å²	150	86.5 Å²	86.5	74%	0.739	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.8	168.7	72.1	177	-173	0	0	109.4	V56	V56-M62 HydrophobicContact CG2-CB 4.29Å
63	Q	86.2	Confident	78.3	Confident	136 Å²	136	84.8 Å²	84.8	64%	0.636	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.6	175	-66.3	-165.4	-28	0	0	109.4	C54 V55	C54-Q63 CarbonylContact C-O 3.58Å; C54-Q63 WeakPolarHBondContact CA-O 3.25Å; V55-Q63 PolarHBondContact N-O 2.91Å; V55-Q63 PolarHBondContact O-N 3.15Å
64	C	90	Very high	77.6	Confident	73 Å²	73	85.9 Å²	85.9	49%	0.493	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.5	173.4	-65.4	0	0	0	0	109.6	M52 S53 C54	M52-C64 HydrophobicContact SD-CB 4.43Å; S53-C64 WeakPolarHBondContact O-CA 3.43Å; C54-C64 HydrophobicContact CB-CB 4.16Å; C54-C64 WeakPolarHBondContact CB-SG 3.45Å; C54-C64 WeakPolarHBondContact SG-CB 3.26Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.16Å
65	K	88	Confident	77.2	Confident	123 Å²	123	92.9 Å²	92.9	54%	0.535	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.4	176.9	-178	168.2	178.5	173.9	0	109.8	M52 S53 D68	M52-K65 WeakPolarHBondContact CA-O 3.49Å; S53-K65 PolarHBondContact N-O 3.38Å; S53-K65 PolarHBondContact O-N 2.96Å; S53-K65 PolarHBondContact OG-O 2.9Å; K65-D68 WeakPolarHBondContact CE-OD2 3.32Å; K65-D68 IonicContact NZ-OD2 2.81Å; K65-D68 PolarHBondContact NZ-OD2 3.39Å
66	V	87.8	Confident	76.9	Confident	92 Å²	92	93.8 Å²	93.8	56%	0.558	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	144.8	172.2	-179.7	0	0	0	0	108.8	M52 D68	M52-V66 HydrophobicContact CB-CG2 4.34Å; V66-D68 PolarHBondContact O-N 2.86Å; V66-D68 VanDerWaalsContact O-N 3.15Å
67	H	83.4	Confident	76.8	Confident	46 Å²	46	91.9 Å²	91.9	21%	0.213	53%	0.528	C	S	.	.			trans	-69.3	112	178.8	-62.6	-67.6	0	0	0	111	W51 S69 R81	W51-H67 PolarHBondContact O-CD2 2.89Å; W51-H67 PolarHBondContact O-N 3.02Å; H67-S69 VanDerWaalsContact C-N 3.26Å; H67-S69 PolarHBondContact O-N 2.98Å; H67-R81 PolarHBondContact CD2-NH2 2.65Å
68	D	71.4	Confident	77	Confident	124 Å²	124	91.5 Å²	91.5	66%	0.663	53%	0.526	S	S	*	.	S	Bend	trans	-67.2	-20.4	-175.7	-67.6	-37.8	0	0	0	113.9	K65 V66	K65-D68 WeakPolarHBondContact CE-OD2 3.32Å; K65-D68 IonicContact NZ-OD2 2.81Å; K65-D68 PolarHBondContact NZ-OD2 3.39Å; V66-D68 PolarHBondContact O-N 2.86Å; V66-D68 VanDerWaalsContact O-N 3.15Å
69	S	69.2	Low	77.6	Confident	70 Å²	70	90 Å²	90	49%	0.49	52%	0.519	S	S	.	.			trans	-148.4	125.9	-177.5	-66.8	0	0	0	0	112	H67 L71 A72	H67-S69 VanDerWaalsContact C-N 3.26Å; H67-S69 PolarHBondContact O-N 2.98Å; S69-L71 PolarHBondContact O-N 3.05Å; S69-A72 PolarHBondContact O-N 3.48Å
70	V	62.8	Low	78.3	Confident	76 Å²	76	85 Å²	85	46%	0.461	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-66.4	-27.9	176.8	-171.4	0	0	0	0	111.3	Q78	V70-Q78 HydrophobicContact CG1-CG 4.25Å
71	L	57.1	Low	79	Confident	173 Å²	173	83.2 Å²	83.2	91%	0.906	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-77.8	-20	-176.9	-150.3	75.1	0	0	0	114	S69	S69-L71 PolarHBondContact O-N 3.05Å
72	A	55.6	Low	79.5	Confident	93 Å²	93	79.6 Å²	79.6	77%	0.769	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-92.3	-0	177.9	0	0	0	0	0	112.7	S69	S69-A72 PolarHBondContact O-N 3.48Å
73	L	68.3	Low	79.8	Confident	27 Å²	27	74.6 Å²	74.6	14%	0.141	43%	0.431	C	S	.	.	S	Bend	trans	-94.8	142.7	-175.8	-161.4	73.1	0	0	0	110.5	H75 L77	L73-H75 PolarHBondContact O-N 3.38Å; L73-L77 HydrophobicContact CD1-CD2 3.91Å; L73-L77 HydrophobicContact CD2-CB 3.92Å; L73-L77 HydrophobicContact CD2-CD2 3.83Å; L73-L77 HydrophobicContact CD2-CG 4.44Å; L73-L77 HydrophobicContact CG-CB 4.01Å; L73-L77 HydrophobicContact CG-CD2 4Å
74	G	74.5	Confident	80.1	Confident	48 Å²	48	68.1 Å²	68.1	50%	0.495	40%	0.401	S	S	.	.			trans	-56.1	138.1	180	0	0	0	0	0	112.5	D76 L77 Q78	G74-D76 PolarHBondContact O-N 3.44Å; G74-D76 VanDerWaalsContact O-N 3.13Å; G74-L77 WeakPolarHBondContact O-CB 3.45Å; G74-L77 PolarHBondContact O-N 3.45Å; G74-Q78 PolarHBondContact O-N 3.47Å
75	H	80.4	Confident	80.3	Confident	161 Å²	161	67.4 Å²	67.4	75%	0.745	39%	0.394	S	S	*	.	H	α-helix	trans	-52	-37.3	-178.4	-80.6	-73.2	0	0	0	113.4	L73 L77 Q78 A79	L73-H75 PolarHBondContact O-N 3.38Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 3.37Å; H75-Q78 PolarHBondContact O-N 2.93Å; H75-A79 WeakPolarHBondContact O-CB 3.37Å; H75-A79 PolarHBondContact O-N 2.85Å
76	D	81.1	Confident	80.6	Confident	58 Å²	58	65 Å²	65	31%	0.31	39%	0.386	S	S	.	.	H	α-helix	trans	-59.1	-40.9	176	-66.2	-32.9	0	0	0	112.7	G74 A80 W138 M139 N142	G74-D76 PolarHBondContact O-N 3.44Å; G74-D76 VanDerWaalsContact O-N 3.13Å; D76-A80 WeakPolarHBondContact O-CB 3.46Å; D76-A80 PolarHBondContact O-N 3.4Å; D76-W138 PolarHBondContact OD1-NE1 3.14Å; D76-M139 HydrophobicContact CB-CE 4.22Å; D76-N142 VanDerWaalsContact CG-ND2 3.29Å; D76-N142 PolarHBondContact OD1-ND2 2.99Å; D76-N142 PolarHBondContact OD2-ND2 3.37Å
77	L	82.6	Confident	80.9	Confident	16 Å²	16	60.6 Å²	60.6	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-73.5	-36.9	-178.9	-130	83	0	0	0	110.8	G49 L50 L73 G74 H75 A80 R81 M139	G49-L77 WeakPolarHBondContact O-CD2 3.28Å; L50-L77 HydrophobicContact CD1-CG 4.35Å; L73-L77 HydrophobicContact CD1-CD2 3.91Å; L73-L77 HydrophobicContact CD2-CB 3.92Å; L73-L77 HydrophobicContact CD2-CD2 3.83Å; L73-L77 HydrophobicContact CD2-CG 4.44Å; L73-L77 HydrophobicContact CG-CB 4.01Å; L73-L77 HydrophobicContact CG-CD2 4Å; G74-L77 WeakPolarHBondContact O-CB 3.45Å; G74-L77 PolarHBondContact O-N 3.45Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 3.37Å; L77-A80 PolarHBondContact O-N 3.28Å; L77-R81 WeakPolarHBondContact O-CG 3.47Å; L77-R81 PolarHBondContact O-N 3.5Å; L77-M139 HydrophobicContact CD1-CE 3.81Å
78	Q	86.8	Confident	81.5	Confident	78 Å²	78	59.6 Å²	59.6	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-66.3	-42.3	176.2	-171.2	178.2	3.4	0	0	111.6	V70 G74 H75 R81 A82	V70-Q78 HydrophobicContact CG1-CG 4.25Å; G74-Q78 PolarHBondContact O-N 3.47Å; H75-Q78 PolarHBondContact O-N 2.93Å; Q78-R81 WeakPolarHBondContact O-CB 3.33Å; Q78-R81 PolarHBondContact O-N 3.28Å; Q78-A82 PolarHBondContact O-N 3.44Å; Q78-A82 VanDerWaalsContact O-N 3.14Å
79	A	86.7	Confident	82.6	Confident	51 Å²	51	57.5 Å²	57.5	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-44	174.2	0	0	0	0	0	111.1	H75 R81 A82 L83	H75-A79 WeakPolarHBondContact O-CB 3.37Å; H75-A79 PolarHBondContact O-N 2.85Å; A79-R81 PolarHBondContact O-N 2.76Å; A79-A82 PolarHBondContact O-N 2.67Å; A79-L83 WeakPolarHBondContact O-CB 3.47Å; A79-L83 VanDerWaalsContact O-CG 3.32Å; A79-L83 WeakPolarHBondContact O-CG 3.28Å; A79-L83 PolarHBondContact O-N 2.93Å
80	A	89.4	Confident	83.8	Confident	2 Å²	2	57.4 Å²	57.4	2%	0.017	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-45.1	175.8	0	0	0	0	0	112.3	W30 L50 D76 L77 A82 L83 T84 P135 M139	W30-A80 HydrophobicContact CZ3-CB 4.32Å; L50-A80 HydrophobicContact CD1-CB 3.86Å; D76-A80 WeakPolarHBondContact O-CB 3.46Å; D76-A80 PolarHBondContact O-N 3.4Å; L77-A80 PolarHBondContact O-N 3.28Å; A80-A82 PolarHBondContact O-N 3.02Å; A80-L83 PolarHBondContact O-N 3.34Å; A80-T84 WeakPolarHBondContact O-CG2 3.47Å; A80-T84 PolarHBondContact O-N 2.92Å; A80-T84 PolarHBondContact O-OG1 3.24Å; A80-P135 HydrophobicContact CB-CB 3.85Å; A80-M139 HydrophobicContact CB-CE 4.1Å
81	R	91	Very high	85.3	Confident	24 Å²	24	53.9 Å²	53.9	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-52.7	-52.5	173.2	-75.9	173.8	-179	-168.3	-0.9	112.4	L50 H67 L77 Q78 A79 T84 V85	L50-R81 HydrophobicContact CD1-CG 4.23Å; L50-R81 HydrophobicContact CD2-CB 4.33Å; L50-R81 HydrophobicContact CD2-CG 3.87Å; L50-R81 HydrophobicContact CG-CB 4.46Å; L50-R81 HydrophobicContact CG-CG 3.54Å; L50-R81 PolarHBondContact O-NE 3.15Å; L50-R81 PolarHBondContact O-NH2 3.05Å; H67-R81 PolarHBondContact CD2-NH2 2.65Å; L77-R81 WeakPolarHBondContact O-CG 3.47Å; L77-R81 PolarHBondContact O-N 3.5Å; Q78-R81 WeakPolarHBondContact O-CB 3.33Å; Q78-R81 PolarHBondContact O-N 3.28Å; A79-R81 PolarHBondContact O-N 2.76Å; R81-T84 PolarHBondContact O-OG1 2.9Å; R81-T84 VanDerWaalsContact O-OG1 3.08Å; R81-V85 WeakPolarHBondContact O-CB 3.32Å; R81-V85 WeakPolarHBondContact O-CG2 3.33Å; R81-V85 PolarHBondContact O-N 3.14Å
82	A	91.4	Very high	87.1	Confident	51 Å²	51	48.9 Å²	48.9	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-48.7	-177.2	0	0	0	0	0	110.8	Q78 A79 A80 T84 V85 I86	Q78-A82 PolarHBondContact O-N 3.44Å; Q78-A82 VanDerWaalsContact O-N 3.14Å; A79-A82 PolarHBondContact O-N 2.67Å; A80-A82 PolarHBondContact O-N 3.02Å; A82-T84 PolarHBondContact O-N 3.08Å; A82-V85 PolarHBondContact O-N 2.97Å; A82-I86 WeakPolarHBondContact O-CB 3.26Å; A82-I86 WeakPolarHBondContact O-CD1 3.45Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 3.38Å
83	L	92.3	Very high	88.9	Confident	44 Å²	44	48.8 Å²	48.8	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-42.3	-178	-69	166.6	0	0	0	112.3	A79 A80 A87 F131 V134 P135	A79-L83 WeakPolarHBondContact O-CB 3.47Å; A79-L83 VanDerWaalsContact O-CG 3.32Å; A79-L83 WeakPolarHBondContact O-CG 3.28Å; A79-L83 PolarHBondContact O-N 2.93Å; A80-L83 PolarHBondContact O-N 3.34Å; L83-A87 WeakPolarHBondContact O-CB 3.42Å; L83-A87 PolarHBondContact O-N 2.99Å; L83-F131 HydrophobicContact CD2-CD1 3.74Å; L83-F131 HydrophobicContact CD2-CE1 4.16Å; L83-V134 HydrophobicContact CD1-CG1 4.31Å; L83-P135 HydrophobicContact CB-CB 4.35Å; L83-P135 HydrophobicContact CB-CG 3.85Å; L83-P135 HydrophobicContact CD1-CB 4.1Å; L83-P135 HydrophobicContact CD1-CG 4.23Å
84	T	92.3	Very high	90.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-38	177.6	54.5	0	0	0	0	112.6	W30 L50 A80 R81 A82 A87 C88 P135	W30-T84 HydrophobicContact CH2-CG2 3.6Å; W30-T84 HydrophobicContact CZ2-CG2 3.9Å; L50-T84 HydrophobicContact CD2-CG2 4.4Å; L50-T84 VanDerWaalsContact CD2-OG1 3.26Å; L50-T84 WeakPolarHBondContact CD2-OG1 3.24Å; A80-T84 WeakPolarHBondContact O-CG2 3.47Å; A80-T84 PolarHBondContact O-N 2.92Å; A80-T84 PolarHBondContact O-OG1 3.24Å; R81-T84 PolarHBondContact O-OG1 2.9Å; R81-T84 VanDerWaalsContact O-OG1 3.08Å; A82-T84 PolarHBondContact O-N 3.08Å; T84-A87 PolarHBondContact O-N 3.19Å; T84-C88 PolarHBondContact O-N 3.49Å; T84-C88 PolarHBondContact O-SG 3.42Å; T84-C88 VanDerWaalsContact O-SG 3.34Å; T84-P135 HydrophobicContact CG2-CG 4.34Å
85	V	94.5	Very high	90.9	Very high	58 Å²	58	47.7 Å²	47.7	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-67.3	-44.6	176.8	171.1	0	0	0	0	110.6	W51 R81 A82 A87 C88 V89	W51-V85 HydrophobicContact CH2-CG2 4.37Å; W51-V85 HydrophobicContact CZ2-CG2 3.88Å; R81-V85 WeakPolarHBondContact O-CB 3.32Å; R81-V85 WeakPolarHBondContact O-CG2 3.33Å; R81-V85 PolarHBondContact O-N 3.14Å; A82-V85 PolarHBondContact O-N 2.97Å; V85-A87 VanDerWaalsContact C-N 3.28Å; V85-A87 PolarHBondContact O-N 3.19Å; V85-C88 WeakPolarHBondContact O-CB 2.91Å; V85-C88 PolarHBondContact O-N 3.36Å; V85-V89 WeakPolarHBondContact O-CG2 3.5Å; V85-V89 PolarHBondContact O-N 3.23Å
86	I	94.5	Very high	91.5	Very high	71 Å²	71	46 Å²	46	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-58	-44.7	174.7	-70.7	165.4	0	0	0	110	A82 C88 V89 F90 F131	A82-I86 WeakPolarHBondContact O-CB 3.26Å; A82-I86 WeakPolarHBondContact O-CD1 3.45Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 3.38Å; I86-C88 PolarHBondContact O-N 2.95Å; I86-V89 WeakPolarHBondContact O-CB 3.41Å; I86-V89 PolarHBondContact O-N 2.99Å; I86-F90 HydrophobicContact CG2-CD2 3.62Å; I86-F90 HydrophobicContact CG2-CE2 3.48Å; I86-F90 VanDerWaalsContact CG2-CE2 3.48Å; I86-F90 VanDerWaalsContact O-CD2 3.25Å; I86-F90 WeakPolarHBondContact O-CD2 3.39Å; I86-F90 PolarHBondContact O-N 3.41Å; I86-F131 HydrophobicContact CG2-CD1 4.41Å; I86-F131 HydrophobicContact CG2-CE1 4.47Å
87	A	94.6	Very high	91.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-40.7	176.8	0	0	0	0	0	113.4	L83 T84 V85 V89 F90 G91 S128 F131 V132	L83-A87 WeakPolarHBondContact O-CB 3.42Å; L83-A87 PolarHBondContact O-N 2.99Å; T84-A87 PolarHBondContact O-N 3.19Å; V85-A87 VanDerWaalsContact C-N 3.28Å; V85-A87 PolarHBondContact O-N 3.19Å; A87-V89 VanDerWaalsContact C-N 3.33Å; A87-V89 PolarHBondContact O-N 3.03Å; A87-F90 PolarHBondContact O-N 3.12Å; A87-G91 PolarHBondContact O-N 3.37Å; A87-S128 PolarHBondContact O-OG 2.87Å; A87-F131 HydrophobicContact CB-CB 3.92Å; A87-V132 HydrophobicContact CB-CG2 3.24Å
88	C	94.3	Very high	92.2	Very high	25 Å²	25	44.6 Å²	44.6	17%	0.169	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-43.7	173.2	-72.6	0	0	0	0	111.7	T84 V85 I86 G91 V92	T84-C88 PolarHBondContact O-N 3.49Å; T84-C88 PolarHBondContact O-SG 3.42Å; T84-C88 VanDerWaalsContact O-SG 3.34Å; V85-C88 WeakPolarHBondContact O-CB 2.91Å; V85-C88 PolarHBondContact O-N 3.36Å; I86-C88 PolarHBondContact O-N 2.95Å; C88-G91 PolarHBondContact O-N 3.44Å; C88-G91 VanDerWaalsContact O-N 3.17Å; C88-V92 WeakPolarHBondContact O-CG2 3.35Å; C88-V92 PolarHBondContact O-N 3.34Å
89	V	95.7	Very high	92.2	Very high	80 Å²	80	44.7 Å²	44.7	49%	0.485	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-47.1	177.2	173.7	0	0	0	0	110.4	V85 I86 A87 G91 V92 L93	V85-V89 WeakPolarHBondContact O-CG2 3.5Å; V85-V89 PolarHBondContact O-N 3.23Å; I86-V89 WeakPolarHBondContact O-CB 3.41Å; I86-V89 PolarHBondContact O-N 2.99Å; A87-V89 VanDerWaalsContact C-N 3.33Å; A87-V89 PolarHBondContact O-N 3.03Å; V89-G91 VanDerWaalsContact C-N 3.29Å; V89-G91 PolarHBondContact O-N 3.42Å; V89-V92 PolarHBondContact O-N 3.2Å; V89-L93 HydrophobicContact CG1-CD1 3.97Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 3.45Å
90	F	94.8	Very high	92.2	Very high	68 Å²	68	44 Å²	44	30%	0.298	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-35.3	174.4	-79.9	-70.2	0	0	0	112.8	I86 A87 L93 G94 I124 F131	I86-F90 HydrophobicContact CG2-CD2 3.62Å; I86-F90 HydrophobicContact CG2-CE2 3.48Å; I86-F90 VanDerWaalsContact CG2-CE2 3.48Å; I86-F90 VanDerWaalsContact O-CD2 3.25Å; I86-F90 WeakPolarHBondContact O-CD2 3.39Å; I86-F90 PolarHBondContact O-N 3.41Å; A87-F90 PolarHBondContact O-N 3.12Å; F90-L93 PolarHBondContact O-N 3.31Å; F90-G94 PolarHBondContact O-N 3.06Å; F90-I124 HydrophobicContact CB-CG2 4.29Å; F90-I124 HydrophobicContact CD1-CG2 4.09Å; F90-I124 VanDerWaalsContact O-CG2 3.26Å; F90-I124 WeakPolarHBondContact O-CG2 3.34Å; F90-F131 HydrophobicContact CD2-CD2 4.37Å; F90-F131 HydrophobicContact CD2-CE2 4.47Å; F90-F131 HydrophobicContact CE2-CD2 4.41Å; F90-F131 HydrophobicContact CE2-CE2 4.07Å
91	G	93.8	Very high	91.7	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-45.5	174	0	0	0	0	0	112.5	A87 C88 V89 G94 L95 Y125	A87-G91 PolarHBondContact O-N 3.37Å; C88-G91 PolarHBondContact O-N 3.44Å; C88-G91 VanDerWaalsContact O-N 3.17Å; V89-G91 VanDerWaalsContact C-N 3.29Å; V89-G91 PolarHBondContact O-N 3.42Å; G91-G94 PolarHBondContact O-N 3.28Å; G91-L95 WeakPolarHBondContact O-CB 3.44Å; G91-L95 PolarHBondContact O-N 2.92Å; G91-Y125 PolarHBondContact O-OH 3.48Å
92	V	94.3	Very high	91.2	Very high	68 Å²	68	43.4 Å²	43.4	41%	0.412	25%	0.249	S	C	.	.	H	α-helix	trans	-67.2	-43.1	176.7	176.2	0	0	0	0	111.4	M22 C88 V89 L95 M96	M22-V92 HydrophobicContact CE-CG2 3.98Å; C88-V92 WeakPolarHBondContact O-CG2 3.35Å; C88-V92 PolarHBondContact O-N 3.34Å; V89-V92 PolarHBondContact O-N 3.2Å; V92-L95 WeakPolarHBondContact O-CB 3.46Å; V92-L95 PolarHBondContact O-N 3.05Å; V92-M96 WeakPolarHBondContact O-CG 3.36Å; V92-M96 PolarHBondContact O-N 3.35Å
93	L	94	Very high	90.1	Very high	90 Å²	90	45.9 Å²	45.9	47%	0.471	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-43.8	175.8	-69.7	175.5	0	0	0	111.5	V89 F90 L95 M96 V97	V89-L93 HydrophobicContact CG1-CD1 3.97Å; V89-L93 HydrophobicContact CG1-CG 4.35Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 3.45Å; F90-L93 PolarHBondContact O-N 3.31Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 3.49Å; L93-M96 PolarHBondContact O-N 3.02Å; L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.28Å; L93-V97 PolarHBondContact O-N 3.4Å
94	G	92.4	Very high	88.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-43	174.4	0	0	0	0	0	111.8	F90 G91 M96 V97 V98	F90-G94 PolarHBondContact O-N 3.06Å; G91-G94 PolarHBondContact O-N 3.28Å; G94-M96 PolarHBondContact O-N 3.2Å; G94-V97 PolarHBondContact O-N 3.18Å; G94-V98 VanDerWaalsContact O-CG2 3.29Å; G94-V98 WeakPolarHBondContact O-CG2 3.49Å; G94-V98 PolarHBondContact O-N 3.44Å
95	L	92.7	Very high	87.9	Confident	53 Å²	53	51.6 Å²	51.6	28%	0.277	29%	0.292	S	S	.	.	H	α-helix	trans	-59.2	-47.6	175.8	-170.9	128.5	0	0	0	112.1	V15 G91 V92 L93 V97 V98 I99 Y125	V15-L95 HydrophobicContact CG2-CD1 3.92Å; G91-L95 WeakPolarHBondContact O-CB 3.44Å; G91-L95 PolarHBondContact O-N 2.92Å; V92-L95 WeakPolarHBondContact O-CB 3.46Å; V92-L95 PolarHBondContact O-N 3.05Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 3.49Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 3.48Å; L95-V98 PolarHBondContact O-N 3.03Å; L95-I99 HydrophobicContact CD2-CD1 3.42Å; L95-I99 VanDerWaalsContact CD2-CD1 3.42Å; L95-I99 HydrophobicContact CG-CD1 3.84Å; L95-I99 WeakPolarHBondContact O-CB 3.39Å; L95-I99 VanDerWaalsContact O-CG1 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.33Å; L95-I99 PolarHBondContact O-N 3.33Å; L95-Y125 WeakPolarHBondContact CA-OH 3.34Å; L95-Y125 VanDerWaalsContact CB-OH 3.25Å; L95-Y125 WeakPolarHBondContact CB-OH 3.48Å; L95-Y125 PolarHBondContact N-OH 2.85Å; L95-Y125 VanDerWaalsContact N-OH 3.15Å
96	M	91.4	Very high	86.6	Confident	125 Å²	125	55.2 Å²	55.2	62%	0.616	31%	0.31	S	S	*	.	H	α-helix	trans	-60.5	-43.6	177.5	-67.1	-62.9	-139.6	0	0	112.1	V92 L93 G94 A100	V92-M96 WeakPolarHBondContact O-CG 3.36Å; V92-M96 PolarHBondContact O-N 3.35Å; L93-M96 PolarHBondContact O-N 3.02Å; G94-M96 PolarHBondContact O-N 3.2Å; M96-A100 PolarHBondContact O-N 2.94Å; M96-A100 VanDerWaalsContact O-N 3.12Å
97	V	90.8	Very high	85.6	Confident	43 Å²	43	56.4 Å²	56.4	26%	0.261	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-46.6	179.2	173.1	0	0	0	0	111.1	L93 G94 L95 A100 G101 V117 I124	L93-V97 VanDerWaalsContact O-CG2 3.3Å; L93-V97 WeakPolarHBondContact O-CG2 3.28Å; L93-V97 PolarHBondContact O-N 3.4Å; G94-V97 PolarHBondContact O-N 3.18Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 3.48Å; V97-A100 PolarHBondContact O-N 2.94Å; V97-G101 PolarHBondContact O-N 3.2Å; V97-G101 VanDerWaalsContact O-N 3.08Å; V97-V117 HydrophobicContact CG1-CG1 3.89Å; V97-V117 WeakPolarHBondContact CG1-O 3.35Å; V97-V117 WeakPolarHBondContact O-CG1 3.35Å; V97-I124 HydrophobicContact CG2-CD1 4.13Å
98	V	88.2	Confident	84.8	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-69	-36.9	-179	-175.7	0	0	0	0	111.3	L11 G94 L95 A100 G101 A102 Y125 L181	L11-V98 HydrophobicContact CD1-CB 4.31Å; L11-V98 HydrophobicContact CD1-CG1 3.52Å; G94-V98 VanDerWaalsContact O-CG2 3.29Å; G94-V98 WeakPolarHBondContact O-CG2 3.49Å; G94-V98 PolarHBondContact O-N 3.44Å; L95-V98 PolarHBondContact O-N 3.03Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-A100 PolarHBondContact O-N 3.07Å; V98-G101 CarbonylContact O-C 3.45Å; V98-G101 PolarHBondContact O-N 2.97Å; V98-G101 VanDerWaalsContact O-N 3.14Å; V98-A102 WeakPolarHBondContact O-CB 3.3Å; V98-A102 PolarHBondContact O-N 3.22Å; V98-Y125 HydrophobicContact CG2-CD2 4.28Å; V98-Y125 HydrophobicContact CG2-CE2 3.93Å; V98-L181 HydrophobicContact CG1-CD1 4.35Å; V98-L181 HydrophobicContact CG1-CD2 4.34Å; V98-L181 HydrophobicContact CG2-CD1 4.05Å
99	I	87.5	Confident	83.8	Confident	80 Å²	80	64.2 Å²	64.2	41%	0.41	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-40.2	175.4	-70.7	169.7	0	0	0	111.6	L95 G101 A102 T105	L95-I99 HydrophobicContact CD2-CD1 3.42Å; L95-I99 VanDerWaalsContact CD2-CD1 3.42Å; L95-I99 HydrophobicContact CG-CD1 3.84Å; L95-I99 WeakPolarHBondContact O-CB 3.39Å; L95-I99 VanDerWaalsContact O-CG1 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.33Å; L95-I99 PolarHBondContact O-N 3.33Å; I99-G101 VanDerWaalsContact C-N 3.28Å; I99-G101 PolarHBondContact O-N 3.26Å; I99-A102 PolarHBondContact O-N 3.16Å; I99-T105 WeakPolarHBondContact O-CB 3.31Å; I99-T105 PolarHBondContact O-OG1 2.98Å
100	A	85.6	Confident	83.1	Confident	36 Å²	36	64.2 Å²	64.2	30%	0.298	36%	0.36	S	S	.	.	H	α-helix	trans	-66.1	-31.7	175.3	0	0	0	0	0	112.5	M96 V97 V98	M96-A100 PolarHBondContact O-N 2.94Å; M96-A100 VanDerWaalsContact O-N 3.12Å; V97-A100 PolarHBondContact O-N 2.94Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-A100 PolarHBondContact O-N 3.07Å
101	G	80.7	Confident	82.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-87.2	-10.1	177	0	0	0	0	0	115.2	V97 V98 I99 K114 V118	V97-G101 PolarHBondContact O-N 3.2Å; V97-G101 VanDerWaalsContact O-N 3.08Å; V98-G101 CarbonylContact O-C 3.45Å; V98-G101 PolarHBondContact O-N 2.97Å; V98-G101 VanDerWaalsContact O-N 3.14Å; I99-G101 VanDerWaalsContact C-N 3.28Å; I99-G101 PolarHBondContact O-N 3.26Å; G101-K114 WeakPolarHBondContact O-CE 3.5Å; G101-K114 WeakPolarHBondContact O-CG 2.97Å; G101-V118 WeakPolarHBondContact O-CG2 3.48Å
102	A	78.8	Confident	81.7	Confident	14 Å²	14	73.4 Å²	73.4	12%	0.116	41%	0.406	C	S	.	.	S	Bend	trans	-66.5	144.5	-171.6	0	0	0	0	0	112.8	E7 V98 I99 C104 T105 K114	E7-A102 WeakPolarHBondContact OE1-CA 3.34Å; V98-A102 WeakPolarHBondContact O-CB 3.3Å; V98-A102 PolarHBondContact O-N 3.22Å; I99-A102 PolarHBondContact O-N 3.16Å; A102-C104 PolarHBondContact O-N 3.17Å; A102-T105 PolarHBondContact O-N 3.11Å; A102-K114 WeakPolarHBondContact O-CE 3.49Å; A102-K114 PolarHBondContact O-NZ 3.47Å
103	Q	69.2	Low	81.2	Confident	104 Å²	104	73.2 Å²	73.2	49%	0.486	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.9	177.3	-68.7	-171.8	28.5	0	0	114.1	E7 T105 K114	E7-Q103 PolarHBondContact OE1-N 3.5Å; E7-Q103 WeakPolarHBondContact OE2-CG 3.32Å; E7-Q103 PolarHBondContact OE2-NE2 3.45Å; Q103-T105 VanDerWaalsContact C-N 3.34Å; Q103-T105 PolarHBondContact O-N 3.42Å; Q103-K114 PolarHBondContact O-NZ 3.49Å; Q103-K114 VanDerWaalsContact O-NZ 3.16Å
104	C	65.5	Low	80.7	Confident	125 Å²	125	70.5 Å²	70.5	85%	0.845	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.2	-179.8	-52.1	0	0	0	0	114.9	A102	A102-C104 PolarHBondContact O-N 3.17Å
105	T	71.9	Confident	80.3	Confident	40 Å²	40	71.9 Å²	71.9	25%	0.245	40%	0.401	C	S	.	.			trans	-105.1	127.3	-176.5	-52.6	0	0	0	0	110.6	I99 A102 Q103 C107 K114	I99-T105 WeakPolarHBondContact O-CB 3.31Å; I99-T105 PolarHBondContact O-OG1 2.98Å; A102-T105 PolarHBondContact O-N 3.11Å; Q103-T105 VanDerWaalsContact C-N 3.34Å; Q103-T105 PolarHBondContact O-N 3.42Å; T105-C107 VanDerWaalsContact C-N 3.31Å; T105-C107 HydrophobicContact CG2-CB 3.95Å; T105-C107 WeakPolarHBondContact CG2-SG 3.48Å; T105-C107 PolarHBondContact O-N 3.24Å; T105-K114 PolarHBondContact O-NZ 3.32Å
106	N	68.6	Low	80	Confident	134 Å²	134	77.7 Å²	77.7	72%	0.717	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	45	176.9	-159.9	-6.5	0	0	0	112.1	N109	N106-N109 PolarHBondContact OD1-OD1 2.97Å; N106-N109 VanDerWaalsContact OD1-OD1 3.11Å
107	C	73.9	Confident	79.9	Confident	95 Å²	95	73.4 Å²	73.4	64%	0.642	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-25.4	173.8	-74.2	0	0	0	0	112.1	T105	T105-C107 VanDerWaalsContact C-N 3.31Å; T105-C107 HydrophobicContact CG2-CB 3.95Å; T105-C107 WeakPolarHBondContact CG2-SG 3.48Å; T105-C107 PolarHBondContact O-N 3.24Å
108	I	77	Confident	79.8	Confident	42 Å²	42	71.6 Å²	71.6	22%	0.215	39%	0.389	C	S	.	.			trans	-132.8	121.7	-175.3	-61.3	169.8	0	0	0	108	D110 V113 V117	I108-D110 WeakPolarHBondContact CG2-O 3.42Å; I108-V113 HydrophobicContact CD1-CG1 4.33Å; I108-V113 HydrophobicContact CG2-CB 3.88Å; I108-V113 HydrophobicContact CG2-CG1 3.91Å; I108-V117 HydrophobicContact CD1-CG2 3.95Å
109	N	73.7	Confident	79.9	Confident	147 Å²	147	74.4 Å²	74.4	79%	0.786	40%	0.404	S	S	*	.			trans	-85.1	-17.3	180	-70.6	-51.5	0	0	0	113.4	N106	N106-N109 PolarHBondContact OD1-OD1 2.97Å; N106-N109 VanDerWaalsContact OD1-OD1 3.11Å
110	D	81.1	Confident	80.1	Confident	80 Å²	80	72.8 Å²	72.8	43%	0.428	40%	0.402	S	S	.	.			trans	-94	117.6	-179.8	-171.7	-20.5	0	0	0	111.3	I108 N112 V113 K114	I108-D110 WeakPolarHBondContact CG2-O 3.42Å; D110-N112 VanDerWaalsContact C-N 3.27Å; D110-N112 PolarHBondContact O-N 3.46Å; D110-N112 WeakPolarHBondContact OD1-CB 3.35Å; D110-N112 PolarHBondContact OD1-N 3.33Å; D110-V113 HydrophobicContact CB-CB 4.14Å; D110-V113 HydrophobicContact CB-CG2 3.87Å; D110-V113 PolarHBondContact O-N 3.04Å; D110-K114 WeakPolarHBondContact O-CB 3.41Å; D110-K114 PolarHBondContact O-N 3.37Å
111	E	79.3	Confident	80.4	Confident	166 Å²	166	71 Å²	71	78%	0.776	39%	0.388	S	S	*	.	H	α-helix	trans	-60.9	-32.3	179.6	-64.7	-171.2	161.1	0	0	113.1	K114 A115	E111-K114 WeakPolarHBondContact O-CB 3.21Å; E111-K114 PolarHBondContact O-N 2.86Å; E111-A115 PolarHBondContact O-N 2.83Å
112	N	79.9	Confident	81	Confident	98 Å²	98	71 Å²	71	52%	0.524	39%	0.388	S	S	.	.	H	α-helix	trans	-71.1	-39.7	178.9	-67	-60	0	0	0	111.6	D110 K114 R116	D110-N112 VanDerWaalsContact C-N 3.27Å; D110-N112 PolarHBondContact O-N 3.46Å; D110-N112 WeakPolarHBondContact OD1-CB 3.35Å; D110-N112 PolarHBondContact OD1-N 3.33Å; N112-K114 VanDerWaalsContact C-N 3.33Å; N112-R116 WeakPolarHBondContact O-CG 3.3Å; N112-R116 PolarHBondContact O-N 3.39Å
113	V	83.3	Confident	81.8	Confident	64 Å²	64	73.5 Å²	73.5	39%	0.388	40%	0.401	S	S	.	.	H	α-helix	trans	-67.8	-41.1	176.6	179.8	0	0	0	0	109.4	I108 D110 A115 R116 V117	I108-V113 HydrophobicContact CD1-CG1 4.33Å; I108-V113 HydrophobicContact CG2-CB 3.88Å; I108-V113 HydrophobicContact CG2-CG1 3.91Å; D110-V113 HydrophobicContact CB-CB 4.14Å; D110-V113 HydrophobicContact CB-CG2 3.87Å; D110-V113 PolarHBondContact O-N 3.04Å; V113-A115 PolarHBondContact O-N 3.47Å; V113-R116 PolarHBondContact O-N 3.23Å; V113-V117 HydrophobicContact CG1-CG2 4.33Å; V113-V117 VanDerWaalsContact O-CG2 3.29Å; V113-V117 WeakPolarHBondContact O-CG2 3.46Å; V113-V117 PolarHBondContact O-N 3.29Å
114	K	83.6	Confident	83.1	Confident	34 Å²	34	70.3 Å²	70.3	15%	0.148	39%	0.387	C	S	.	.	H	α-helix	trans	-56.7	-50.1	176.2	-167.4	171.1	-168.2	152.8	0	112.6	G101 A102 Q103 T105 D110 E111 N112 R116 V117 V118	G101-K114 WeakPolarHBondContact O-CE 3.5Å; G101-K114 WeakPolarHBondContact O-CG 2.97Å; A102-K114 WeakPolarHBondContact O-CE 3.49Å; A102-K114 PolarHBondContact O-NZ 3.47Å; Q103-K114 PolarHBondContact O-NZ 3.49Å; Q103-K114 VanDerWaalsContact O-NZ 3.16Å; T105-K114 PolarHBondContact O-NZ 3.32Å; D110-K114 WeakPolarHBondContact O-CB 3.41Å; D110-K114 PolarHBondContact O-N 3.37Å; E111-K114 WeakPolarHBondContact O-CB 3.21Å; E111-K114 PolarHBondContact O-N 2.86Å; N112-K114 VanDerWaalsContact C-N 3.33Å; K114-R116 VanDerWaalsContact C-N 3.34Å; K114-R116 PolarHBondContact O-N 2.97Å; K114-V117 PolarHBondContact O-N 3.5Å; K114-V118 WeakPolarHBondContact O-CG2 3.21Å; K114-V118 PolarHBondContact O-N 2.86Å
115	A	83.1	Confident	84.5	Confident	29 Å²	29	64.6 Å²	64.6	24%	0.24	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-42.2	176.4	0	0	0	0	0	112.4	E111 V113 V117 V118 N119 C185	E111-A115 PolarHBondContact O-N 2.83Å; V113-A115 PolarHBondContact O-N 3.47Å; A115-V117 PolarHBondContact O-N 3.48Å; A115-V118 PolarHBondContact O-N 3.45Å; A115-N119 WeakPolarHBondContact O-CB 3.49Å; A115-N119 PolarHBondContact O-N 3Å; A115-C185 PolarHBondContact O-SG 2.88Å; A115-C185 VanDerWaalsContact O-SG 3.38Å
116	R	86.3	Confident	85.7	Confident	175 Å²	175	65 Å²	65	66%	0.66	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-39	176.5	-73.1	179	-178.5	-165	1	112.9	N112 V113 K114 N119 A120	N112-R116 WeakPolarHBondContact O-CG 3.3Å; N112-R116 PolarHBondContact O-N 3.39Å; V113-R116 PolarHBondContact O-N 3.23Å; K114-R116 VanDerWaalsContact C-N 3.34Å; K114-R116 PolarHBondContact O-N 2.97Å; R116-N119 PolarHBondContact O-N 3.49Å; R116-A120 WeakPolarHBondContact O-CB 3.34Å; R116-A120 PolarHBondContact O-N 3.43Å
117	V	89.6	Confident	87	Confident	35 Å²	35	61.7 Å²	61.7	21%	0.212	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-45.1	177.9	171.3	0	0	0	0	110.8	V97 I108 V113 K114 A115 N119 A120 G121	V97-V117 HydrophobicContact CG1-CG1 3.89Å; V97-V117 WeakPolarHBondContact CG1-O 3.35Å; V97-V117 WeakPolarHBondContact O-CG1 3.35Å; I108-V117 HydrophobicContact CD1-CG2 3.95Å; V113-V117 HydrophobicContact CG1-CG2 4.33Å; V113-V117 VanDerWaalsContact O-CG2 3.29Å; V113-V117 WeakPolarHBondContact O-CG2 3.46Å; V113-V117 PolarHBondContact O-N 3.29Å; K114-V117 PolarHBondContact O-N 3.5Å; A115-V117 PolarHBondContact O-N 3.48Å; V117-N119 VanDerWaalsContact C-N 3.35Å; V117-N119 PolarHBondContact O-N 3.39Å; V117-A120 PolarHBondContact O-N 3Å; V117-G121 PolarHBondContact O-N 2.88Å
118	V	89.9	Confident	88	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-43.7	175.5	175.3	0	0	0	0	111.1	E7 G101 K114 A115 A120 G121 G122 L181	E7-V118 HydrophobicContact CG-CG1 4.36Å; G101-V118 WeakPolarHBondContact O-CG2 3.48Å; K114-V118 WeakPolarHBondContact O-CG2 3.21Å; K114-V118 PolarHBondContact O-N 2.86Å; A115-V118 PolarHBondContact O-N 3.45Å; V118-A120 PolarHBondContact O-N 2.95Å; V118-G121 PolarHBondContact O-N 3.01Å; V118-G122 PolarHBondContact O-N 3.36Å; V118-L181 HydrophobicContact CG1-CB 4.34Å; V118-L181 HydrophobicContact CG1-CD2 3.99Å
119	N	89.6	Confident	88.9	Confident	60 Å²	60	55.2 Å²	55.2	32%	0.321	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-44.1	175.7	-173.9	41.3	0	0	0	112	A115 R116 V117 G121 G122 V123 C182	A115-N119 WeakPolarHBondContact O-CB 3.49Å; A115-N119 PolarHBondContact O-N 3Å; R116-N119 PolarHBondContact O-N 3.49Å; V117-N119 VanDerWaalsContact C-N 3.35Å; V117-N119 PolarHBondContact O-N 3.39Å; N119-G121 VanDerWaalsContact C-N 3.31Å; N119-G121 PolarHBondContact O-N 3.16Å; N119-G122 PolarHBondContact O-N 3.32Å; N119-G122 VanDerWaalsContact O-N 3.16Å; N119-V123 WeakPolarHBondContact O-CG2 3.48Å; N119-V123 PolarHBondContact O-N 3.47Å; N119-C182 WeakPolarHBondContact OD1-CA 3.38Å; N119-C182 WeakPolarHBondContact OD1-CB 3.21Å; N119-C182 PolarHBondContact OD1-SG 3.28Å
120	A	92.1	Very high	89.9	Confident	45 Å²	45	52.4 Å²	52.4	37%	0.372	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-40.9	175.3	0	0	0	0	0	111.9	R116 V117 V118 V123 I124	R116-A120 WeakPolarHBondContact O-CB 3.34Å; R116-A120 PolarHBondContact O-N 3.43Å; V117-A120 PolarHBondContact O-N 3Å; V118-A120 PolarHBondContact O-N 2.95Å; A120-V123 PolarHBondContact O-N 3.27Å; A120-I124 WeakPolarHBondContact O-CD1 3.24Å; A120-I124 WeakPolarHBondContact O-CG1 3.34Å; A120-I124 PolarHBondContact O-N 3.48Å
121	G	92.4	Very high	90.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-41.5	173.1	0	0	0	0	0	113	V117 V118 N119 I124 Y125	V117-G121 PolarHBondContact O-N 2.88Å; V118-G121 PolarHBondContact O-N 3.01Å; N119-G121 VanDerWaalsContact C-N 3.31Å; N119-G121 PolarHBondContact O-N 3.16Å; G121-I124 PolarHBondContact O-N 3.41Å; G121-Y125 VanDerWaalsContact O-CD2 3.28Å; G121-Y125 WeakPolarHBondContact O-CD2 3.49Å; G121-Y125 PolarHBondContact O-N 3.13Å
122	G	93.1	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-45.7	173.4	0	0	0	0	0	112.8	V118 N119 I124 Y125 I126	V118-G122 PolarHBondContact O-N 3.36Å; N119-G122 PolarHBondContact O-N 3.32Å; N119-G122 VanDerWaalsContact O-N 3.16Å; G122-I124 PolarHBondContact O-N 3.46Å; G122-Y125 PolarHBondContact O-N 3.21Å; G122-I126 WeakPolarHBondContact O-CG1 3.1Å; G122-I126 PolarHBondContact O-N 2.94Å
123	V	94.9	Very high	92	Very high	65 Å²	65	41.8 Å²	41.8	39%	0.394	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-41.7	175.7	175.4	0	0	0	0	111.5	N119 A120 Y125 I126 I127	N119-V123 WeakPolarHBondContact O-CG2 3.48Å; N119-V123 PolarHBondContact O-N 3.47Å; A120-V123 PolarHBondContact O-N 3.27Å; V123-Y125 VanDerWaalsContact C-N 3.31Å; V123-Y125 PolarHBondContact O-N 2.92Å; V123-I126 PolarHBondContact O-N 3.3Å; V123-I127 HydrophobicContact CG1-CD1 3.9Å; V123-I127 HydrophobicContact CG1-CG1 4.46Å; V123-I127 WeakPolarHBondContact O-CG1 3.09Å; V123-I127 PolarHBondContact O-N 3.39Å
124	I	95.6	Very high	92.5	Very high	38 Å²	38	43 Å²	43	20%	0.195	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-41.9	175.5	-70.1	160.1	0	0	0	111.1	F90 V97 A120 G121 G122 I127 S128	F90-I124 HydrophobicContact CB-CG2 4.29Å; F90-I124 HydrophobicContact CD1-CG2 4.09Å; F90-I124 VanDerWaalsContact O-CG2 3.26Å; F90-I124 WeakPolarHBondContact O-CG2 3.34Å; V97-I124 HydrophobicContact CG2-CD1 4.13Å; A120-I124 WeakPolarHBondContact O-CD1 3.24Å; A120-I124 WeakPolarHBondContact O-CG1 3.34Å; A120-I124 PolarHBondContact O-N 3.48Å; G121-I124 PolarHBondContact O-N 3.41Å; G122-I124 PolarHBondContact O-N 3.46Å; I124-I127 PolarHBondContact O-N 3Å; I124-S128 WeakPolarHBondContact O-CB 3.45Å; I124-S128 PolarHBondContact O-N 3.21Å
125	Y	95.8	Very high	93	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-36.7	176.5	-83.5	-63.3	0	0	0	113.3	C14 G91 L95 V98 G121 G122 V123 S128 G129 L174 L181	C14-Y125 HydrophobicContact CB-CD1 4.06Å; C14-Y125 HydrophobicContact CB-CD2 3.91Å; C14-Y125 HydrophobicContact CB-CE1 3.9Å; C14-Y125 HydrophobicContact CB-CE2 3.75Å; C14-Y125 HydrophobicContact CB-CG 4.04Å; G91-Y125 PolarHBondContact O-OH 3.48Å; L95-Y125 WeakPolarHBondContact CA-OH 3.34Å; L95-Y125 VanDerWaalsContact CB-OH 3.25Å; L95-Y125 WeakPolarHBondContact CB-OH 3.48Å; L95-Y125 PolarHBondContact N-OH 2.85Å; L95-Y125 VanDerWaalsContact N-OH 3.15Å; V98-Y125 HydrophobicContact CG2-CD2 4.28Å; V98-Y125 HydrophobicContact CG2-CE2 3.93Å; G121-Y125 VanDerWaalsContact O-CD2 3.28Å; G121-Y125 WeakPolarHBondContact O-CD2 3.49Å; G121-Y125 PolarHBondContact O-N 3.13Å; G122-Y125 PolarHBondContact O-N 3.21Å; V123-Y125 VanDerWaalsContact C-N 3.31Å; V123-Y125 PolarHBondContact O-N 2.92Å; Y125-S128 WeakPolarHBondContact O-CB 3.39Å; Y125-S128 PolarHBondContact O-N 2.92Å; Y125-G129 PolarHBondContact O-N 3.36Å; Y125-L174 HydrophobicContact CD1-CD2 3.7Å; Y125-L174 HydrophobicContact CE1-CD2 4.15Å; Y125-L181 HydrophobicContact CD2-CD1 4.36Å
126	I	96.1	Very high	93.4	Very high	48 Å²	48	40.2 Å²	40.2	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-46.7	173.1	-68	169.4	0	0	0	110.1	G122 V123 S128 G129 L130 L175	G122-I126 WeakPolarHBondContact O-CG1 3.1Å; G122-I126 PolarHBondContact O-N 2.94Å; V123-I126 PolarHBondContact O-N 3.3Å; I126-S128 PolarHBondContact O-N 3.4Å; I126-G129 PolarHBondContact O-N 3.24Å; I126-L130 HydrophobicContact CG2-CD1 4.38Å; I126-L130 WeakPolarHBondContact O-CG 3.31Å; I126-L130 PolarHBondContact O-N 3.18Å; I126-L175 HydrophobicContact CB-CD2 4.47Å; I126-L175 HydrophobicContact CG2-CD2 3.97Å
127	I	95.8	Very high	93.8	Very high	65 Å²	65	34.5 Å²	34.5	33%	0.333	20%	0.196	S	C	.	.	H	α-helix	trans	-60.4	-46.2	177	-68.7	168.3	0	0	0	110.4	V123 I124 G129 L130 F131	V123-I127 HydrophobicContact CG1-CD1 3.9Å; V123-I127 HydrophobicContact CG1-CG1 4.46Å; V123-I127 WeakPolarHBondContact O-CG1 3.09Å; V123-I127 PolarHBondContact O-N 3.39Å; I124-I127 PolarHBondContact O-N 3Å; I127-G129 VanDerWaalsContact C-N 3.34Å; I127-G129 PolarHBondContact O-N 3.49Å; I127-L130 PolarHBondContact O-N 3.41Å; I127-F131 HydrophobicContact CG2-CD2 3.61Å; I127-F131 HydrophobicContact CG2-CE2 3.46Å; I127-F131 VanDerWaalsContact CG2-CE2 3.46Å; I127-F131 VanDerWaalsContact O-CD2 3.24Å; I127-F131 WeakPolarHBondContact O-CD2 3.2Å; I127-F131 PolarHBondContact O-N 3.46Å
128	S	95.8	Very high	93.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-47.4	174.8	178.3	0	0	0	0	111.6	A87 I124 Y125 I126 L130 F131 V132	A87-S128 PolarHBondContact O-OG 2.87Å; I124-S128 WeakPolarHBondContact O-CB 3.45Å; I124-S128 PolarHBondContact O-N 3.21Å; Y125-S128 WeakPolarHBondContact O-CB 3.39Å; Y125-S128 PolarHBondContact O-N 2.92Å; I126-S128 PolarHBondContact O-N 3.4Å; S128-L130 VanDerWaalsContact C-N 3.35Å; S128-L130 PolarHBondContact O-N 3.46Å; S128-F131 PolarHBondContact O-N 3.21Å; S128-V132 PolarHBondContact O-N 2.94Å; S128-V132 VanDerWaalsContact O-N 3.14Å
129	G	95	Very high	94	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-43	176.5	0	0	0	0	0	112.9	Y125 I126 I127 F131 V132 L133 T171	Y125-G129 PolarHBondContact O-N 3.36Å; I126-G129 PolarHBondContact O-N 3.24Å; I127-G129 VanDerWaalsContact C-N 3.34Å; I127-G129 PolarHBondContact O-N 3.49Å; G129-F131 PolarHBondContact O-N 3.47Å; G129-V132 PolarHBondContact O-N 2.92Å; G129-L133 WeakPolarHBondContact O-CB 3.09Å; G129-L133 PolarHBondContact O-N 3.46Å; G129-T171 WeakPolarHBondContact O-CG2 3.32Å
130	L	95.5	Very high	94.1	Very high	88 Å²	88	36.8 Å²	36.8	46%	0.461	20%	0.197	S	C	.	.	H	α-helix	trans	-63.4	-41	176.1	-67.9	173.9	0	0	0	112.3	I126 I127 S128 V132 L133 V134 L175	I126-L130 HydrophobicContact CG2-CD1 4.38Å; I126-L130 WeakPolarHBondContact O-CG 3.31Å; I126-L130 PolarHBondContact O-N 3.18Å; I127-L130 PolarHBondContact O-N 3.41Å; S128-L130 VanDerWaalsContact C-N 3.35Å; S128-L130 PolarHBondContact O-N 3.46Å; L130-V132 VanDerWaalsContact C-N 3.27Å; L130-V132 PolarHBondContact O-N 2.94Å; L130-L133 PolarHBondContact O-N 2.78Å; L130-V134 WeakPolarHBondContact O-CG2 3.47Å; L130-V134 PolarHBondContact O-N 3Å; L130-L175 HydrophobicContact CG-CD2 4.47Å
131	F	94.1	Very high	94.1	Very high	69 Å²	69	38.8 Å²	38.8	30%	0.303	20%	0.201	S	C	.	.	H	α-helix	trans	-62.8	-30.7	176	-86.3	-72.3	0	0	0	113.2	L83 I86 A87 F90 I127 S128 G129 P135	L83-F131 HydrophobicContact CD2-CD1 3.74Å; L83-F131 HydrophobicContact CD2-CE1 4.16Å; I86-F131 HydrophobicContact CG2-CD1 4.41Å; I86-F131 HydrophobicContact CG2-CE1 4.47Å; A87-F131 HydrophobicContact CB-CB 3.92Å; F90-F131 HydrophobicContact CD2-CD2 4.37Å; F90-F131 HydrophobicContact CD2-CE2 4.47Å; F90-F131 HydrophobicContact CE2-CD2 4.41Å; F90-F131 HydrophobicContact CE2-CE2 4.07Å; I127-F131 HydrophobicContact CG2-CD2 3.61Å; I127-F131 HydrophobicContact CG2-CE2 3.46Å; I127-F131 VanDerWaalsContact CG2-CE2 3.46Å; I127-F131 VanDerWaalsContact O-CD2 3.24Å; I127-F131 WeakPolarHBondContact O-CD2 3.2Å; I127-F131 PolarHBondContact O-N 3.46Å; S128-F131 PolarHBondContact O-N 3.21Å; G129-F131 PolarHBondContact O-N 3.47Å; F131-P135 WeakPolarHBondContact O-CD 3.21Å; F131-P135 WeakPolarHBondContact O-CG 3.2Å
132	V	94.6	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-79	-36.6	173.3	-178.4	0	0	0	0	111.7	V21 A87 S128 G129 L130 V134 P135 L136	V21-V132 HydrophobicContact CB-CG2 4.45Å; V21-V132 HydrophobicContact CG1-CG2 3.62Å; V21-V132 HydrophobicContact CG2-CG1 4.35Å; V21-V132 HydrophobicContact CG2-CG2 3.86Å; A87-V132 HydrophobicContact CB-CG2 3.24Å; S128-V132 PolarHBondContact O-N 2.94Å; S128-V132 VanDerWaalsContact O-N 3.14Å; G129-V132 PolarHBondContact O-N 2.92Å; L130-V132 VanDerWaalsContact C-N 3.27Å; L130-V132 PolarHBondContact O-N 2.94Å; V132-V134 PolarHBondContact O-N 3.38Å; V132-P135 WeakPolarHBondContact O-CD 3.47Å; V132-P135 VanDerWaalsContact O-CG 3.3Å; V132-P135 WeakPolarHBondContact O-CG 3.34Å; V132-L136 HydrophobicContact CG1-CD1 3.64Å; V132-L136 HydrophobicContact CG1-CG 4.21Å; V132-L136 WeakPolarHBondContact O-CD1 3.32Å; V132-L136 WeakPolarHBondContact O-CG 3.46Å; V132-L136 PolarHBondContact O-N 2.79Å
133	L	95.6	Very high	93.7	Very high	52 Å²	52	40.3 Å²	40.3	27%	0.272	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-41.4	-177.1	-170.4	55.2	0	0	0	112.7	G129 L130 L136 C137 T171	G129-L133 WeakPolarHBondContact O-CB 3.09Å; G129-L133 PolarHBondContact O-N 3.46Å; L130-L133 PolarHBondContact O-N 2.78Å; L133-L136 PolarHBondContact O-N 3.42Å; L133-C137 WeakPolarHBondContact CD1-SG 3.48Å; L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 3.24Å; L133-C137 PolarHBondContact O-SG 3.31Å; L133-C137 VanDerWaalsContact O-SG 3.41Å; L133-T171 HydrophobicContact CB-CG2 3.84Å; L133-T171 HydrophobicContact CD1-CG2 4.09Å; L133-T171 HydrophobicContact CD2-CG2 4.24Å; L133-T171 HydrophobicContact CG-CG2 4.26Å
134	V	94.3	Very high	93.4	Very high	89 Å²	89	41 Å²	41	54%	0.539	21%	0.21	S	C	.	.	H	α-helix	trans	-54.7	-57.7	-178.8	172.1	0	0	0	0	112.5	L83 L130 V132 L136 C137 W138	L83-V134 HydrophobicContact CD1-CG1 4.31Å; L130-V134 WeakPolarHBondContact O-CG2 3.47Å; L130-V134 PolarHBondContact O-N 3Å; V132-V134 PolarHBondContact O-N 3.38Å; V134-L136 VanDerWaalsContact C-N 3.32Å; V134-L136 PolarHBondContact O-N 2.89Å; V134-C137 PolarHBondContact O-N 3.43Å; V134-W138 VanDerWaalsContact O-CB 3.27Å; V134-W138 WeakPolarHBondContact O-CB 3.27Å; V134-W138 PolarHBondContact O-N 2.89Å
135	P	92.8	Very high	93.1	Very high	5 Å²	5	42 Å²	42	3%	0.032	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-30.8	-179.8	27.7	-35.9	0	0	0	112.8	A80 L83 T84 F131 V132 M139	A80-P135 HydrophobicContact CB-CB 3.85Å; L83-P135 HydrophobicContact CB-CB 4.35Å; L83-P135 HydrophobicContact CB-CG 3.85Å; L83-P135 HydrophobicContact CD1-CB 4.1Å; L83-P135 HydrophobicContact CD1-CG 4.23Å; T84-P135 HydrophobicContact CG2-CG 4.34Å; F131-P135 WeakPolarHBondContact O-CD 3.21Å; F131-P135 WeakPolarHBondContact O-CG 3.2Å; V132-P135 WeakPolarHBondContact O-CD 3.47Å; V132-P135 VanDerWaalsContact O-CG 3.3Å; V132-P135 WeakPolarHBondContact O-CG 3.34Å; P135-M139 WeakPolarHBondContact O-CB 3.41Å; P135-M139 PolarHBondContact O-N 3.33Å
136	L	93.3	Very high	92.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-49.2	176.1	-69.8	175.3	0	0	0	111.9	V24 W30 V132 L133 V134 M139 A140 L164 G167	V24-L136 HydrophobicContact CG1-CD2 4.5Å; W30-L136 HydrophobicContact CH2-CD2 3.89Å; W30-L136 HydrophobicContact CZ3-CD2 3.88Å; V132-L136 HydrophobicContact CG1-CD1 3.64Å; V132-L136 HydrophobicContact CG1-CG 4.21Å; V132-L136 WeakPolarHBondContact O-CD1 3.32Å; V132-L136 WeakPolarHBondContact O-CG 3.46Å; V132-L136 PolarHBondContact O-N 2.79Å; L133-L136 PolarHBondContact O-N 3.42Å; V134-L136 VanDerWaalsContact C-N 3.32Å; V134-L136 PolarHBondContact O-N 2.89Å; L136-M139 PolarHBondContact O-N 2.92Å; L136-A140 WeakPolarHBondContact O-CB 3.16Å; L136-A140 PolarHBondContact O-N 2.86Å; L136-L164 HydrophobicContact CD2-CG 4.07Å; L136-G167 VanDerWaalsContact CD1-CA 3.47Å; L136-G167 WeakPolarHBondContact CD1-O 3.47Å
137	C	93.5	Very high	92.1	Very high	56 Å²	56	46.5 Å²	46.5	38%	0.378	24%	0.241	S	C	.	.	H	α-helix	trans	-66.6	-41.5	178.5	-70.6	0	0	0	0	111.6	L133 V134 M139 A140 N141	L133-C137 WeakPolarHBondContact CD1-SG 3.48Å; L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 3.24Å; L133-C137 PolarHBondContact O-SG 3.31Å; L133-C137 VanDerWaalsContact O-SG 3.41Å; V134-C137 PolarHBondContact O-N 3.43Å; C137-M139 VanDerWaalsContact C-N 3.34Å; C137-M139 PolarHBondContact O-N 2.92Å; C137-A140 PolarHBondContact O-N 2.84Å; C137-N141 VanDerWaalsContact O-CB 3.31Å; C137-N141 WeakPolarHBondContact O-CB 3.41Å; C137-N141 PolarHBondContact O-N 2.84Å
138	W	93.1	Very high	91.6	Very high	141 Å²	141	52 Å²	52	53%	0.534	26%	0.259	S	S	.	.	H	α-helix	trans	-58.7	-47.3	174.2	-173.7	-96	0	0	0	111.2	D76 V134 N141 N142	D76-W138 PolarHBondContact OD1-NE1 3.14Å; V134-W138 VanDerWaalsContact O-CB 3.27Å; V134-W138 WeakPolarHBondContact O-CB 3.27Å; V134-W138 PolarHBondContact O-N 2.89Å; W138-N141 PolarHBondContact O-N 3.41Å; W138-N142 PolarHBondContact NE1-ND2 2.91Å; W138-N142 VanDerWaalsContact NE1-ND2 3.18Å; W138-N142 PolarHBondContact O-N 2.87Å; W138-N142 PolarHBondContact O-OD1 2.83Å
139	M	90.3	Very high	91.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-44.3	-179.4	-162.2	62.2	74.1	0	0	112.2	K31 D76 L77 A80 P135 L136 C137 N141 N142 I143 L164	K31-M139 HydrophobicContact CD-SD 4.36Å; K31-M139 WeakPolarHBondContact CE-SD 2.93Å; K31-M139 PolarHBondContact NZ-SD 3.26Å; D76-M139 HydrophobicContact CB-CE 4.22Å; L77-M139 HydrophobicContact CD1-CE 3.81Å; A80-M139 HydrophobicContact CB-CE 4.1Å; P135-M139 WeakPolarHBondContact O-CB 3.41Å; P135-M139 PolarHBondContact O-N 3.33Å; L136-M139 PolarHBondContact O-N 2.92Å; C137-M139 VanDerWaalsContact C-N 3.34Å; C137-M139 PolarHBondContact O-N 2.92Å; M139-N141 VanDerWaalsContact C-N 3.32Å; M139-N141 PolarHBondContact O-N 2.05Å; M139-N142 PolarHBondContact O-N 2.85Å; M139-I143 HydrophobicContact CG-CD1 4.19Å; M139-I143 WeakPolarHBondContact O-CD1 3Å; M139-I143 WeakPolarHBondContact O-CG1 3.46Å; M139-I143 PolarHBondContact O-N 3Å; M139-L164 HydrophobicContact CB-CD2 4.31Å; M139-L164 HydrophobicContact CG-CD2 4.5Å
140	A	91.3	Very high	90.7	Very high	6 Å²	6	60.8 Å²	60.8	5%	0.05	31%	0.312	C	S	.	.	H	α-helix	trans	-58.3	-45.4	174.7	0	0	0	0	0	111.3	L136 C137 N142 I143 I144 L164 W168	L136-A140 WeakPolarHBondContact O-CB 3.16Å; L136-A140 PolarHBondContact O-N 2.86Å; C137-A140 PolarHBondContact O-N 2.84Å; A140-N142 PolarHBondContact O-N 2.93Å; A140-I143 PolarHBondContact O-N 2.92Å; A140-I144 WeakPolarHBondContact O-CD1 3.49Å; A140-I144 VanDerWaalsContact O-CG1 3.24Å; A140-I144 WeakPolarHBondContact O-CG1 3.43Å; A140-I144 PolarHBondContact O-N 3.43Å; A140-L164 HydrophobicContact CB-CD2 4.04Å; A140-W168 HydrophobicContact CB-CH2 4.36Å; A140-W168 HydrophobicContact CB-CZ2 3.95Å
141	N	92.3	Very high	90.2	Very high	87 Å²	87	64.5 Å²	64.5	47%	0.465	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-41.6	179	-176.2	68.3	0	0	0	112.2	C137 W138 M139 I144 S145	C137-N141 VanDerWaalsContact O-CB 3.31Å; C137-N141 WeakPolarHBondContact O-CB 3.41Å; C137-N141 PolarHBondContact O-N 2.84Å; W138-N141 PolarHBondContact O-N 3.41Å; M139-N141 VanDerWaalsContact C-N 3.32Å; M139-N141 PolarHBondContact O-N 2.05Å; N141-I144 PolarHBondContact O-N 3.07Å; N141-S145 VanDerWaalsContact O-CB 3.28Å; N141-S145 WeakPolarHBondContact O-CB 3.41Å; N141-S145 PolarHBondContact O-N 2.93Å; N141-S145 PolarHBondContact O-OG 3.47Å
142	N	89.5	Confident	89.6	Confident	29 Å²	29	62.6 Å²	62.6	16%	0.155	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-41.3	177.6	-71.1	5.2	0	0	0	111.5	D76 W138 M139 A140 I144 S145 D146	D76-N142 VanDerWaalsContact CG-ND2 3.29Å; D76-N142 PolarHBondContact OD1-ND2 2.99Å; D76-N142 PolarHBondContact OD2-ND2 3.37Å; W138-N142 PolarHBondContact NE1-ND2 2.91Å; W138-N142 VanDerWaalsContact NE1-ND2 3.18Å; W138-N142 PolarHBondContact O-N 2.87Å; W138-N142 PolarHBondContact O-OD1 2.83Å; M139-N142 PolarHBondContact O-N 2.85Å; A140-N142 PolarHBondContact O-N 2.93Å; N142-I144 PolarHBondContact O-N 3.34Å; N142-S145 PolarHBondContact O-N 2.82Å; N142-D146 WeakPolarHBondContact O-CB 3.21Å; N142-D146 PolarHBondContact O-N 3.42Å
143	I	88	Confident	88.8	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-47	175.7	-66.9	164	0	0	0	110.9	K31 M139 A140 D146 F147 R158 I160 L164	K31-I143 HydrophobicContact CG-CD1 4.02Å; K31-I143 HydrophobicContact CG-CG1 4.35Å; M139-I143 HydrophobicContact CG-CD1 4.19Å; M139-I143 WeakPolarHBondContact O-CD1 3Å; M139-I143 WeakPolarHBondContact O-CG1 3.46Å; M139-I143 PolarHBondContact O-N 3Å; A140-I143 PolarHBondContact O-N 2.92Å; I143-D146 PolarHBondContact O-N 3.26Å; I143-F147 PolarHBondContact O-N 2.88Å; I143-F147 VanDerWaalsContact O-N 3.07Å; I143-R158 HydrophobicContact CG2-CB 4.21Å; I143-R158 WeakPolarHBondContact CG2-O 3.4Å; I143-I160 HydrophobicContact CD1-CG1 4.45Å; I143-I160 HydrophobicContact CG2-CG1 4.06Å; I143-L164 HydrophobicContact CD1-CD2 4.23Å
144	I	89.4	Confident	87.6	Confident	78 Å²	78	66.4 Å²	66.4	40%	0.4	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-44.9	179.9	-66.5	166	0	0	0	110.3	A140 N141 N142 D146 F147 Y148	A140-I144 WeakPolarHBondContact O-CD1 3.49Å; A140-I144 VanDerWaalsContact O-CG1 3.24Å; A140-I144 WeakPolarHBondContact O-CG1 3.43Å; A140-I144 PolarHBondContact O-N 3.43Å; N141-I144 PolarHBondContact O-N 3.07Å; N142-I144 PolarHBondContact O-N 3.34Å; I144-D146 PolarHBondContact O-N 2.9Å; I144-F147 WeakPolarHBondContact O-CB 3.15Å; I144-F147 PolarHBondContact O-N 3.38Å; I144-F147 VanDerWaalsContact O-N 3.17Å; I144-Y148 HydrophobicContact CG2-CD2 3.98Å; I144-Y148 HydrophobicContact CG2-CE2 3.82Å; I144-Y148 WeakPolarHBondContact O-CD2 3.47Å; I144-Y148 PolarHBondContact O-N 3.31Å
145	S	88.8	Confident	86.3	Confident	59 Å²	59	63.1 Å²	63.1	41%	0.413	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-43.1	178.9	-60.8	0	0	0	0	111.8	N141 N142 F147 Y148 N149	N141-S145 VanDerWaalsContact O-CB 3.28Å; N141-S145 WeakPolarHBondContact O-CB 3.41Å; N141-S145 PolarHBondContact O-N 2.93Å; N141-S145 PolarHBondContact O-OG 3.47Å; N142-S145 PolarHBondContact O-N 2.82Å; S145-F147 VanDerWaalsContact C-N 3.28Å; S145-F147 PolarHBondContact O-N 3.18Å; S145-Y148 PolarHBondContact O-N 2.94Å; S145-N149 WeakPolarHBondContact O-CB 3.48Å; S145-N149 PolarHBondContact O-N 3.41Å; S145-N149 VanDerWaalsContact O-N 3.13Å
146	D	86.2	Confident	85.3	Confident	59 Å²	59	69.2 Å²	69.2	32%	0.316	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-35.4	175.6	-82.9	-5.1	0	0	0	112	N142 I143 I144 Y148 N149	N142-D146 WeakPolarHBondContact O-CB 3.21Å; N142-D146 PolarHBondContact O-N 3.42Å; I143-D146 PolarHBondContact O-N 3.26Å; I144-D146 PolarHBondContact O-N 2.9Å; D146-Y148 VanDerWaalsContact C-N 3.32Å; D146-Y148 PolarHBondContact O-N 3.49Å; D146-N149 PolarHBondContact O-N 2.85Å
147	F	84.1	Confident	84.5	Confident	88 Å²	88	72.6 Å²	72.6	39%	0.386	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-35.2	179.8	-166.6	-90.6	0	0	0	113.1	I143 I144 S145 K157	I143-F147 PolarHBondContact O-N 2.88Å; I143-F147 VanDerWaalsContact O-N 3.07Å; I144-F147 WeakPolarHBondContact O-CB 3.15Å; I144-F147 PolarHBondContact O-N 3.38Å; I144-F147 VanDerWaalsContact O-N 3.17Å; S145-F147 VanDerWaalsContact C-N 3.28Å; S145-F147 PolarHBondContact O-N 3.18Å; F147-K157 HydrophobicContact CD2-CB 4.14Å; F147-K157 HydrophobicContact CD2-CD 4.02Å; F147-K157 HydrophobicContact CD2-CG 4.33Å; F147-K157 HydrophobicContact CE2-CB 4.31Å; F147-K157 HydrophobicContact CE2-CD 3.9Å; F147-K157 HydrophobicContact CZ-CD 4.41Å; F147-K157 PolarHBondContact O-NZ 2.91Å
148	Y	86.1	Confident	83.9	Confident	182 Å²	182	73.4 Å²	73.4	71%	0.714	37%	0.372	S	S	*	.	H	α-helix	trans	-90.6	-7.8	178.8	-69.9	-71.2	0	0	0	114	I144 S145 D146 P150	I144-Y148 HydrophobicContact CG2-CD2 3.98Å; I144-Y148 HydrophobicContact CG2-CE2 3.82Å; I144-Y148 WeakPolarHBondContact O-CD2 3.47Å; I144-Y148 PolarHBondContact O-N 3.31Å; S145-Y148 PolarHBondContact O-N 2.94Å; D146-Y148 VanDerWaalsContact C-N 3.32Å; D146-Y148 PolarHBondContact O-N 3.49Å; Y148-P150 WeakPolarHBondContact O-CD 3.38Å
149	N	87.3	Confident	83.6	Confident	63 Å²	63	72 Å²	72	34%	0.337	37%	0.372	S	S	.	.			trans	-77.7	117.9	-178.8	-173.2	-14	0	0	0	111.1	S145 D146 Q151 V152	S145-N149 WeakPolarHBondContact O-CB 3.48Å; S145-N149 PolarHBondContact O-N 3.41Å; S145-N149 VanDerWaalsContact O-N 3.13Å; D146-N149 PolarHBondContact O-N 2.85Å; N149-Q151 PolarHBondContact O-N 3Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.31Å; N149-Q151 PolarHBondContact OD1-N 3Å; N149-V152 HydrophobicContact CB-CG2 3.98Å; N149-V152 PolarHBondContact O-N 3.3Å; N149-V152 VanDerWaalsContact O-N 3.13Å
150	P	84	Confident	83.5	Confident	121 Å²	121	74.2 Å²	74.2	79%	0.786	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.1	-178.8	28.7	-35.9	0	0	0	113.8	Y148 V152	Y148-P150 WeakPolarHBondContact O-CD 3.38Å; P150-V152 VanDerWaalsContact C-N 3.28Å
151	Q	86.1	Confident	83.4	Confident	166 Å²	166	73.9 Å²	73.9	78%	0.776	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-13	175.8	-59.9	-66.3	-47.8	0	0	112.7	N149	N149-Q151 PolarHBondContact O-N 3Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.31Å; N149-Q151 PolarHBondContact OD1-N 3Å
152	V	80.1	Confident	83.4	Confident	30 Å²	30	71.7 Å²	71.7	18%	0.182	37%	0.374	C	S	.	.	S	Bend	trans	-92.7	119.4	-179.2	-177.8	0	0	0	0	109	N149 P150 K156	N149-V152 HydrophobicContact CB-CG2 3.98Å; N149-V152 PolarHBondContact O-N 3.3Å; N149-V152 VanDerWaalsContact O-N 3.13Å; P150-V152 VanDerWaalsContact C-N 3.28Å; V152-K156 HydrophobicContact CG1-CB 3.87Å
153	P	77.9	Confident	83.5	Confident	61 Å²	61	70.3 Å²	70.3	40%	0.396	37%	0.366	S	S	.	.			trans	-63	149.3	177.5	25.6	-32.6	0	0	0	110.6	S155 K156	P153-S155 PolarHBondContact O-N 2.94Å; P153-S155 VanDerWaalsContact O-N 3.09Å; P153-K156 HydrophobicContact CG-CB 4.12Å; P153-K156 HydrophobicContact CG-CD 3.97Å; P153-K156 HydrophobicContact CG-CG 3.98Å; P153-K156 PolarHBondContact O-N 3.2Å
154	A	71	Confident	83.7	Confident	70 Å²	70	70.1 Å²	70.1	58%	0.579	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-55	-32.8	-177.7	0	0	0	0	0	112.7	K156 K157	A154-K156 PolarHBondContact O-N 3.5Å; A154-K157 WeakPolarHBondContact O-CB 3.46Å; A154-K157 PolarHBondContact O-N 3.41Å
155	S	67.4	Low	84	Confident	20 Å²	20	72.5 Å²	72.5	14%	0.14	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-67.7	-14.8	175.9	45.7	0	0	0	0	115.2	F35 E37 P153	F35-S155 WeakPolarHBondContact CD1-O 3.39Å; F35-S155 WeakPolarHBondContact CE1-O 3.41Å; E37-S155 WeakPolarHBondContact OE2-CB 3.22Å; E37-S155 PolarHBondContact OE2-OG 3.35Å; E37-S155 VanDerWaalsContact OE2-OG 3.05Å; P153-S155 PolarHBondContact O-N 2.94Å; P153-S155 VanDerWaalsContact O-N 3.09Å
156	K	70.8	Confident	84.3	Confident	133 Å²	133	72.2 Å²	72.2	58%	0.578	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-106.1	6.4	176.4	-70.6	-172	178.3	-178.1	0	113.6	V152 P153 A154 R158	V152-K156 HydrophobicContact CG1-CB 3.87Å; P153-K156 HydrophobicContact CG-CB 4.12Å; P153-K156 HydrophobicContact CG-CD 3.97Å; P153-K156 HydrophobicContact CG-CG 3.98Å; P153-K156 PolarHBondContact O-N 3.2Å; A154-K156 PolarHBondContact O-N 3.5Å; K156-R158 PolarHBondContact O-N 2.94Å
157	K	77.8	Confident	84.7	Confident	72 Å²	72	69.4 Å²	69.4	31%	0.313	35%	0.349	S	S	.	.			trans	-64.8	132.1	177.8	-73.4	-173.3	172.4	-163.2	0	110.1	F147 A154	F147-K157 HydrophobicContact CD2-CB 4.14Å; F147-K157 HydrophobicContact CD2-CD 4.02Å; F147-K157 HydrophobicContact CD2-CG 4.33Å; F147-K157 HydrophobicContact CE2-CB 4.31Å; F147-K157 HydrophobicContact CE2-CD 3.9Å; F147-K157 HydrophobicContact CZ-CD 4.41Å; F147-K157 PolarHBondContact O-NZ 2.91Å; A154-K157 WeakPolarHBondContact O-CB 3.46Å; A154-K157 PolarHBondContact O-N 3.41Å
158	R	80.7	Confident	85.3	Confident	73 Å²	73	69.7 Å²	69.7	28%	0.275	35%	0.347	S	S	.	.			trans	-106.1	145.3	-178.7	-47.6	-161.1	176.5	-135.1	1.6	110.1	K31 T33 D48 I143 K156	K31-R158 VanDerWaalsContact CD-NH1 3.28Å; T33-R158 HydrophobicContact CG2-CB 4.04Å; T33-R158 HydrophobicContact CG2-CG 3.64Å; D48-R158 IonicContact OD2-CZ 2.76Å; D48-R158 IonicContact OD2-NH1 3.88Å; D48-R158 PolarHBondContact OD2-NH1 3.28Å; I143-R158 HydrophobicContact CG2-CB 4.21Å; I143-R158 WeakPolarHBondContact CG2-O 3.4Å; K156-R158 PolarHBondContact O-N 2.94Å
159	E	87.3	Confident	85.8	Confident	112 Å²	112	63.3 Å²	63.3	52%	0.523	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	157.6	174.1	-62.4	-175.3	174.1	0	0	110.2	V32 G161	V32-E159 HydrophobicContact CB-CB 4.49Å; V32-E159 PolarHBondContact N-O 2.76Å; V32-E159 VanDerWaalsContact N-O 3.09Å; V32-E159 PolarHBondContact O-N 2.98Å; E159-G161 PolarHBondContact O-N 3.23Å
160	I	88	Confident	86.2	Confident	45 Å²	45	60.3 Å²	60.3	23%	0.231	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	120.3	179.7	-61.4	177.4	0	0	0	108.8	I143 L164 Y165	I143-I160 HydrophobicContact CD1-CG1 4.45Å; I143-I160 HydrophobicContact CG2-CG1 4.06Å; I160-L164 HydrophobicContact CG2-CB 3.89Å; I160-L164 HydrophobicContact CG2-CD2 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.48Å; I160-Y165 HydrophobicContact CB-CE2 4.46Å; I160-Y165 HydrophobicContact CG2-CD2 4.47Å; I160-Y165 HydrophobicContact CG2-CE1 4.35Å; I160-Y165 HydrophobicContact CG2-CE2 3.79Å
161	G	89.1	Confident	86.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.279	C	S	.	.			trans	-76.6	158.4	178.8	0	0	0	0	0	113.9	M29 W30 E159 A163 L164	M29-G161 CarbonylContact O-C 3.55Å; M29-G161 WeakPolarHBondContact O-CA 3.23Å; W30-G161 PolarHBondContact O-N 3.19Å; E159-G161 PolarHBondContact O-N 3.23Å; G161-A163 PolarHBondContact O-N 3.1Å; G161-A163 VanDerWaalsContact O-N 3.16Å; G161-L164 PolarHBondContact O-N 3.16Å; G161-L164 VanDerWaalsContact O-N 3.1Å
162	A	91.3	Very high	87.3	Confident	40 Å²	40	48.9 Å²	48.9	33%	0.331	26%	0.26	S	S	.	.	H	α-helix	trans	-55.6	-32.7	-179.4	0	0	0	0	0	113.7	M29 L164 Y165 I166	M29-A162 HydrophobicContact CB-CB 4.26Å; M29-A162 HydrophobicContact CE-CB 4.07Å; M29-A162 PolarHBondContact O-N 3.48Å; M29-A162 HydrophobicContact SD-CB 4.13Å; A162-L164 PolarHBondContact O-N 3.28Å; A162-Y165 PolarHBondContact O-N 2.92Å; A162-I166 WeakPolarHBondContact O-CG1 3.45Å; A162-I166 PolarHBondContact O-N 3.29Å
163	A	92.4	Very high	88.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-29	-179.3	0	0	0	0	0	112.6	V24 L27 M29 W30 G161 I166 G167	V24-A163 HydrophobicContact CG1-CB 4.48Å; L27-A163 HydrophobicContact CB-CB 4.29Å; M29-A163 HydrophobicContact CB-CB 4.41Å; M29-A163 WeakPolarHBondContact O-CB 3.44Å; M29-A163 PolarHBondContact O-N 3.44Å; W30-A163 HydrophobicContact CG-CB 4.24Å; G161-A163 PolarHBondContact O-N 3.1Å; G161-A163 VanDerWaalsContact O-N 3.16Å; A163-I166 PolarHBondContact O-N 2.87Å; A163-G167 PolarHBondContact O-N 3.49Å
164	L	92.7	Very high	89	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.2	-41.1	179.2	-84.8	70.6	0	0	0	111.7	W30 L136 M139 A140 I143 I160 G161 A162 G167 W168	W30-L164 HydrophobicContact CB-CD1 4.19Å; W30-L164 HydrophobicContact CD2-CD1 4.3Å; W30-L164 HydrophobicContact CE3-CD1 4.03Å; W30-L164 HydrophobicContact CG-CD1 4.4Å; W30-L164 WeakPolarHBondContact O-CD1 3.25Å; L136-L164 HydrophobicContact CD2-CG 4.07Å; M139-L164 HydrophobicContact CB-CD2 4.31Å; M139-L164 HydrophobicContact CG-CD2 4.5Å; A140-L164 HydrophobicContact CB-CD2 4.04Å; I143-L164 HydrophobicContact CD1-CD2 4.23Å; I160-L164 HydrophobicContact CG2-CB 3.89Å; I160-L164 HydrophobicContact CG2-CD2 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.48Å; G161-L164 PolarHBondContact O-N 3.16Å; G161-L164 VanDerWaalsContact O-N 3.1Å; A162-L164 PolarHBondContact O-N 3.28Å; L164-G167 PolarHBondContact O-N 3.32Å; L164-W168 PolarHBondContact O-N 3.38Å
165	Y	94.4	Very high	90.2	Very high	129 Å²	129	45.9 Å²	45.9	51%	0.506	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-43.5	176.5	-59.7	-69.6	0	0	0	111.5	I160 A162 G167 W168 A169	I160-Y165 HydrophobicContact CB-CE2 4.46Å; I160-Y165 HydrophobicContact CG2-CD2 4.47Å; I160-Y165 HydrophobicContact CG2-CE1 4.35Å; I160-Y165 HydrophobicContact CG2-CE2 3.79Å; A162-Y165 PolarHBondContact O-N 2.92Å; Y165-G167 VanDerWaalsContact C-N 3.28Å; Y165-G167 PolarHBondContact O-N 3.06Å; Y165-W168 HydrophobicContact CD1-CE3 4.23Å; Y165-W168 HydrophobicContact CD1-CZ3 4.18Å; Y165-W168 HydrophobicContact CE1-CZ3 4.25Å; Y165-W168 PolarHBondContact O-N 3.43Å; Y165-A169 PolarHBondContact O-N 3.44Å
166	I	95.1	Very high	91.5	Very high	53 Å²	53	49.3 Å²	49.3	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-39.7	174.9	-59.4	170.4	0	0	0	110	L20 V24 L27 A162 A163 A169 A170	L20-I166 HydrophobicContact CB-CG2 4.27Å; L20-I166 HydrophobicContact CD2-CG2 3.96Å; V24-I166 HydrophobicContact CG2-CB 3.77Å; V24-I166 HydrophobicContact CG2-CG2 3.54Å; L27-I166 HydrophobicContact CD1-CD1 3.9Å; A162-I166 WeakPolarHBondContact O-CG1 3.45Å; A162-I166 PolarHBondContact O-N 3.29Å; A163-I166 PolarHBondContact O-N 2.87Å; I166-A169 PolarHBondContact O-N 3.33Å; I166-A170 VanDerWaalsContact O-CB 3.32Å; I166-A170 WeakPolarHBondContact O-CB 3.44Å; I166-A170 PolarHBondContact O-N 3.32Å
167	G	95.4	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-40.9	177.2	0	0	0	0	0	113.7	L136 A163 L164 Y165 A170 T171	L136-G167 VanDerWaalsContact CD1-CA 3.47Å; L136-G167 WeakPolarHBondContact CD1-O 3.47Å; A163-G167 PolarHBondContact O-N 3.49Å; L164-G167 PolarHBondContact O-N 3.32Å; Y165-G167 VanDerWaalsContact C-N 3.28Å; Y165-G167 PolarHBondContact O-N 3.06Å; G167-A170 PolarHBondContact O-N 3.2Å; G167-T171 WeakPolarHBondContact O-CB 3.38Å; G167-T171 PolarHBondContact O-N 3.31Å; G167-T171 PolarHBondContact O-OG1 2.92Å
168	W	96.8	Very high	93.4	Very high	93 Å²	93	39.6 Å²	39.6	35%	0.352	20%	0.203	S	C	.	.	H	α-helix	trans	-66.5	-42.2	173.9	-73.9	-25.6	0	0	0	112.1	A140 L164 Y165 A170 T171 A172	A140-W168 HydrophobicContact CB-CH2 4.36Å; A140-W168 HydrophobicContact CB-CZ2 3.95Å; L164-W168 PolarHBondContact O-N 3.38Å; Y165-W168 HydrophobicContact CD1-CE3 4.23Å; Y165-W168 HydrophobicContact CD1-CZ3 4.18Å; Y165-W168 HydrophobicContact CE1-CZ3 4.25Å; Y165-W168 PolarHBondContact O-N 3.43Å; W168-A170 VanDerWaalsContact C-N 3.35Å; W168-A170 PolarHBondContact O-N 2.96Å; W168-T171 PolarHBondContact O-N 3.01Å; W168-A172 PolarHBondContact O-N 3.45Å
169	A	96.6	Very high	94	Very high	48 Å²	48	38.1 Å²	38.1	40%	0.397	21%	0.206	S	C	.	.	H	α-helix	trans	-60.1	-45.9	173.4	0	0	0	0	0	111.3	Y165 I166 T171 A172 L173	Y165-A169 PolarHBondContact O-N 3.44Å; I166-A169 PolarHBondContact O-N 3.33Å; A169-T171 VanDerWaalsContact C-N 3.34Å; A169-T171 PolarHBondContact O-N 3.46Å; A169-A172 PolarHBondContact O-N 2.89Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.34Å; A169-L173 PolarHBondContact O-N 2.76Å
170	A	96.3	Very high	94.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-45.2	176.3	0	0	0	0	0	111.8	L20 V21 I166 G167 W168 L173 L174	L20-A170 HydrophobicContact CB-CB 3.54Å; L20-A170 HydrophobicContact CD1-CB 4.36Å; V21-A170 HydrophobicContact CG2-CB 3.88Å; I166-A170 VanDerWaalsContact O-CB 3.32Å; I166-A170 WeakPolarHBondContact O-CB 3.44Å; I166-A170 PolarHBondContact O-N 3.32Å; G167-A170 PolarHBondContact O-N 3.2Å; W168-A170 VanDerWaalsContact C-N 3.35Å; W168-A170 PolarHBondContact O-N 2.96Å; A170-L173 PolarHBondContact O-N 3.28Å; A170-L174 WeakPolarHBondContact O-CG 3.49Å; A170-L174 PolarHBondContact O-N 2.81Å
171	T	96.3	Very high	94.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-47.2	177.5	-57.2	0	0	0	0	111.3	G129 L133 G167 W168 A169 L173 L174 L175	G129-T171 WeakPolarHBondContact O-CG2 3.32Å; L133-T171 HydrophobicContact CB-CG2 3.84Å; L133-T171 HydrophobicContact CD1-CG2 4.09Å; L133-T171 HydrophobicContact CD2-CG2 4.24Å; L133-T171 HydrophobicContact CG-CG2 4.26Å; G167-T171 WeakPolarHBondContact O-CB 3.38Å; G167-T171 PolarHBondContact O-N 3.31Å; G167-T171 PolarHBondContact O-OG1 2.92Å; W168-T171 PolarHBondContact O-N 3.01Å; A169-T171 VanDerWaalsContact C-N 3.34Å; A169-T171 PolarHBondContact O-N 3.46Å; T171-L173 VanDerWaalsContact C-N 3.31Å; T171-L173 PolarHBondContact O-N 2.92Å; T171-L174 PolarHBondContact O-N 3.45Å; T171-L175 HydrophobicContact CG2-CD1 3.93Å; T171-L175 HydrophobicContact CG2-CG 4.22Å; T171-L175 WeakPolarHBondContact O-CG 3.16Å; T171-L175 PolarHBondContact O-N 3.09Å
172	A	96.9	Very high	94.3	Very high	45 Å²	45	33.9 Å²	33.9	37%	0.372	19%	0.19	S	C	.	.	H	α-helix	trans	-59.8	-43.6	178.6	0	0	0	0	0	111.4	W168 A169 L175 I176	W168-A172 PolarHBondContact O-N 3.45Å; A169-A172 PolarHBondContact O-N 2.89Å; A172-L175 PolarHBondContact O-N 2.91Å; A172-I176 WeakPolarHBondContact O-CB 3.48Å; A172-I176 WeakPolarHBondContact O-CD1 3.37Å; A172-I176 WeakPolarHBondContact O-CG1 3.45Å; A172-I176 PolarHBondContact O-N 2.89Å
173	L	96.4	Very high	93.9	Very high	44 Å²	44	36.6 Å²	36.6	23%	0.23	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-42.1	176.5	-67.4	169.2	0	0	0	112.2	L13 I16 L20 A169 A170 T171 G177	L13-L173 HydrophobicContact CD2-CD2 3.46Å; L13-L173 VanDerWaalsContact CD2-CD2 3.46Å; I16-L173 HydrophobicContact CG2-CD1 4.04Å; L20-L173 HydrophobicContact CD1-CD1 3.69Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.34Å; A169-L173 PolarHBondContact O-N 2.76Å; A170-L173 PolarHBondContact O-N 3.28Å; T171-L173 VanDerWaalsContact C-N 3.31Å; T171-L173 PolarHBondContact O-N 2.92Å; L173-G177 WeakPolarHBondContact O-CA 3.28Å; L173-G177 PolarHBondContact O-N 3.36Å
174	L	96.1	Very high	93.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-42.2	176.7	-73.9	-179.9	0	0	0	112.7	C14 V21 Y125 A170 T171 G178	C14-L174 WeakPolarHBondContact O-CD2 3.24Å; V21-L174 HydrophobicContact CG2-CD1 3.69Å; Y125-L174 HydrophobicContact CD1-CD2 3.7Å; Y125-L174 HydrophobicContact CE1-CD2 4.15Å; A170-L174 WeakPolarHBondContact O-CG 3.49Å; A170-L174 PolarHBondContact O-N 2.81Å; T171-L174 PolarHBondContact O-N 3.45Å; L174-G178 PolarHBondContact O-N 2.89Å
175	L	96.2	Very high	91.6	Very high	53 Å²	53	39 Å²	39	28%	0.277	22%	0.222	S	C	.	.	H	α-helix	trans	-68.2	-45.7	178.7	-69.6	178.1	0	0	0	111.5	I126 L130 T171 A172 A179	I126-L175 HydrophobicContact CB-CD2 4.47Å; I126-L175 HydrophobicContact CG2-CD2 3.97Å; L130-L175 HydrophobicContact CG-CD2 4.47Å; T171-L175 HydrophobicContact CG2-CD1 3.93Å; T171-L175 HydrophobicContact CG2-CG 4.22Å; T171-L175 WeakPolarHBondContact O-CG 3.16Å; T171-L175 PolarHBondContact O-N 3.09Å; A172-L175 PolarHBondContact O-N 2.91Å; L175-A179 VanDerWaalsContact O-CB 3.24Å; L175-A179 WeakPolarHBondContact O-CB 3.05Å; L175-A179 PolarHBondContact O-N 3.47Å
176	I	95.9	Very high	89.8	Confident	93 Å²	93	38 Å²	38	48%	0.477	23%	0.231	S	C	.	.	H	α-helix	trans	-66.3	-47.5	178.1	-65.6	167.1	0	0	0	109.9	L13 A172 G178 A179 L180	L13-I176 HydrophobicContact CD1-CG2 4.21Å; A172-I176 WeakPolarHBondContact O-CB 3.48Å; A172-I176 WeakPolarHBondContact O-CD1 3.37Å; A172-I176 WeakPolarHBondContact O-CG1 3.45Å; A172-I176 PolarHBondContact O-N 2.89Å; I176-G178 PolarHBondContact O-N 2.96Å; I176-A179 PolarHBondContact O-N 3.46Å; I176-L180 HydrophobicContact CG2-CD1 3.9Å; I176-L180 HydrophobicContact CG2-CG 4.4Å; I176-L180 WeakPolarHBondContact O-CB 3.2Å; I176-L180 WeakPolarHBondContact O-CG 3.33Å; I176-L180 PolarHBondContact O-N 3.39Å
177	G	94.3	Very high	87.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-46.1	177.3	0	0	0	0	0	112.3	L173 L180 L181	L173-G177 WeakPolarHBondContact O-CA 3.28Å; L173-G177 PolarHBondContact O-N 3.36Å; G177-L180 PolarHBondContact O-N 2.95Å; G177-L181 WeakPolarHBondContact O-CG 3.5Å; G177-L181 PolarHBondContact O-N 2.99Å
178	G	93.6	Very high	85	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-42.3	176.6	0	0	0	0	0	112.7	C14 L174 I176 L181 C182	C14-G178 PolarHBondContact SG-N 3.41Å; C14-G178 VanDerWaalsContact SG-N 3.44Å; L174-G178 PolarHBondContact O-N 2.89Å; I176-G178 PolarHBondContact O-N 2.96Å; G178-L181 PolarHBondContact O-N 3.28Å; G178-C182 PolarHBondContact O-N 2.9Å; G178-C182 PolarHBondContact O-SG 3.4Å
179	A	93.1	Very high	82.4	Confident	42 Å²	42	44.8 Å²	44.8	35%	0.347	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-42.1	175.9	0	0	0	0	0	112.1	L175 I176 L181 C182 C183	L175-A179 VanDerWaalsContact O-CB 3.24Å; L175-A179 WeakPolarHBondContact O-CB 3.05Å; L175-A179 PolarHBondContact O-N 3.47Å; I176-A179 PolarHBondContact O-N 3.46Å; A179-L181 VanDerWaalsContact C-N 3.35Å; A179-L181 PolarHBondContact O-N 3.43Å; A179-C182 WeakPolarHBondContact O-CB 3.49Å; A179-C182 PolarHBondContact O-N 2.87Å; A179-C183 WeakPolarHBondContact O-CB 3.41Å; A179-C183 PolarHBondContact O-N 3.07Å; A179-C183 PolarHBondContact O-SG 3.5Å
180	L	92.3	Very high	79.7	Confident	37 Å²	37	49.8 Å²	49.8	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-43.4	175.7	-71.2	166.9	0	0	0	111.5	L6 L9 L13 I176 G177 C182 C183 S184	L6-L180 HydrophobicContact CD1-CD2 3.78Å; L6-L180 HydrophobicContact CD2-CD2 4.18Å; L6-L180 HydrophobicContact CG-CD2 3.9Å; L9-L180 HydrophobicContact CD2-CD1 3.78Å; L9-L180 HydrophobicContact CG-CD1 4.49Å; L13-L180 HydrophobicContact CD1-CD1 3.48Å; L13-L180 VanDerWaalsContact CD1-CD1 3.48Å; I176-L180 HydrophobicContact CG2-CD1 3.9Å; I176-L180 HydrophobicContact CG2-CG 4.4Å; I176-L180 WeakPolarHBondContact O-CB 3.2Å; I176-L180 WeakPolarHBondContact O-CG 3.33Å; I176-L180 PolarHBondContact O-N 3.39Å; G177-L180 PolarHBondContact O-N 2.95Å; L180-C182 VanDerWaalsContact C-N 3.29Å; L180-C182 PolarHBondContact O-N 3.29Å; L180-C183 PolarHBondContact O-N 2.98Å; L180-S184 PolarHBondContact O-N 2.78Å; L180-S184 PolarHBondContact O-OG 2.87Å
181	L	89.8	Confident	77	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-35.6	175.4	-68.6	172.5	0	0	0	112.4	E7 V98 V118 Y125 G177 G178 A179	E7-L181 HydrophobicContact CG-CD2 4.21Å; V98-L181 HydrophobicContact CG1-CD1 4.35Å; V98-L181 HydrophobicContact CG1-CD2 4.34Å; V98-L181 HydrophobicContact CG2-CD1 4.05Å; V118-L181 HydrophobicContact CG1-CB 4.34Å; V118-L181 HydrophobicContact CG1-CD2 3.99Å; Y125-L181 HydrophobicContact CD2-CD1 4.36Å; G177-L181 WeakPolarHBondContact O-CG 3.5Å; G177-L181 PolarHBondContact O-N 2.99Å; G178-L181 PolarHBondContact O-N 3.28Å; A179-L181 VanDerWaalsContact C-N 3.35Å; A179-L181 PolarHBondContact O-N 3.43Å
182	C	87.8	Confident	74.4	Confident	32 Å²	32	58 Å²	58	22%	0.216	39%	0.385	C	S	.	.	H	α-helix	trans	-70.1	-37.5	175	-61.8	0	0	0	0	112.2	N119 G178 A179 L180	N119-C182 WeakPolarHBondContact OD1-CA 3.38Å; N119-C182 WeakPolarHBondContact OD1-CB 3.21Å; N119-C182 PolarHBondContact OD1-SG 3.28Å; G178-C182 PolarHBondContact O-N 2.9Å; G178-C182 PolarHBondContact O-SG 3.4Å; A179-C182 WeakPolarHBondContact O-CB 3.49Å; A179-C182 PolarHBondContact O-N 2.87Å; L180-C182 VanDerWaalsContact C-N 3.29Å; L180-C182 PolarHBondContact O-N 3.29Å
183	C	83.8	Confident	71.7	Confident	96 Å²	96	66.3 Å²	66.3	65%	0.649	41%	0.409	S	S	*	.	H	α-helix	trans	-78.4	-16.9	-179	-68.2	0	0	0	0	114.3	A179 L180 C185	A179-C183 WeakPolarHBondContact O-CB 3.41Å; A179-C183 PolarHBondContact O-N 3.07Å; A179-C183 PolarHBondContact O-SG 3.5Å; L180-C183 PolarHBondContact O-N 2.98Å; C183-C185 PolarHBondContact O-N 3.29Å
184	S	74.7	Confident	69	Low	11 Å²	11	69.1 Å²	69.1	8%	0.077	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.1	-179.7	-68	0	0	0	0	114.4	S3 L180	S3-S184 PolarHBondContact OG-O 3.09Å; L180-S184 PolarHBondContact O-N 2.78Å; L180-S184 PolarHBondContact O-OG 2.87Å
185	C	62.8	Low	66.8	Low	40 Å²	40	72.3 Å²	72.3	27%	0.27	46%	0.458	S	S	.	.	S	Bend	trans	-76.1	129.1	177.8	-68.5	0	0	0	0	111	A115 C183 S187	A115-C185 PolarHBondContact O-SG 2.88Å; A115-C185 VanDerWaalsContact O-SG 3.38Å; C183-C185 PolarHBondContact O-N 3.29Å; C185-S187 PolarHBondContact O-N 3.03Å; C185-S187 VanDerWaalsContact O-N 3.16Å
186	P	55.5	Low	64.3	Low	107 Å²	107	78.9 Å²	78.9	70%	0.695	49%	0.485	S	S	*	.			trans	-59.5	123.9	163.7	25.3	-29.9	0	0	0	107.6	N188	P186-N188 PolarHBondContact O-N 3.17Å
187	S	44.8	Very low	62.3	Low	115 Å²	115	84.3 Å²	84.3	80%	0.804	50%	0.501	S	S	*	.			trans	-47.1	111.8	174.6	179.2	0	0	0	0	108.1	C185 G189	C185-S187 PolarHBondContact O-N 3.03Å; C185-S187 VanDerWaalsContact O-N 3.16Å; S187-G189 PolarHBondContact O-N 2.98Å
188	N	45.1	Very low	60.3	Low	117 Å²	117	88.2 Å²	88.2	63%	0.626	53%	0.533	S	S	*	.			trans	-67.5	99.5	170.3	-153.8	2.9	0	0	0	104.5	P186 N190	P186-N188 PolarHBondContact O-N 3.17Å; N188-N190 VanDerWaalsContact C-N 3.33Å; N188-N190 PolarHBondContact O-N 2.89Å
189	G	43	Very low	58.2	Low	58 Å²	58	94 Å²	94	60%	0.598	57%	0.57	S	S	*	*			trans	-54.3	97.4	-176.9	0	0	0	0	0	109.6	S187	S187-G189 PolarHBondContact O-N 2.98Å
190	N	38.5	Very low	56.1	Low	152 Å²	152	98.5 Å²	98.5	81%	0.813	59%	0.594	S	S	*	*			trans	-127.9	33.7	168.9	-149.8	51.4	0	0	0	110.8	N188 G192	N188-N190 VanDerWaalsContact C-N 3.33Å; N188-N190 PolarHBondContact O-N 2.89Å; N190-G192 PolarHBondContact O-N 3.13Å
191	S	40.2	Very low	54.1	Low	107 Å²	107	106.3 Å²	106.3	75%	0.748	63%	0.626	S	S	*	*	S	Bend	trans	-77.7	101.4	143.9	49.3	0	0	0	0	106.6	Y193	S191-Y193 PolarHBondContact O-N 3.17Å
192	G	42.3	Very low	51.9	Low	68 Å²	68	117.8 Å²	117.8	70%	0.701	67%	0.67	S	S	*	*			trans	-59.8	95.4	178.1	0	0	0	0	0	111.9	N190	N190-G192 PolarHBondContact O-N 3.13Å
193	Y	39.8	Very low	49.9	Very low	221 Å²	221	121 Å²	121	87%	0.867	70%	0.698	S	S	*	*			trans	-119.8	89.8	144.5	-81.2	-83	0	0	0	106.8	S191 A195	S191-Y193 PolarHBondContact O-N 3.17Å; Y193-A195 PolarHBondContact O-N 3.13Å
194	S	39.3	Very low	48	Very low	103 Å²	103	122.3 Å²	122.3	72%	0.72	70%	0.704	S	S	*	*			trans	-62.6	83.6	159.2	166.1	0	0	0	0	107.3	K196	S194-K196 PolarHBondContact O-N 3.36Å
195	A	50.8	Low	46.6	Very low	66 Å²	66	127.4 Å²	127.4	55%	0.545	74%	0.736	S	S	.	*			trans	-64.6	90.4	159.8	0	0	0	0	0	106.5	Y193 Y197	Y193-A195 PolarHBondContact O-N 3.13Å; A195-Y197 VanDerWaalsContact C-N 3.25Å; A195-Y197 HydrophobicContact CB-CE2 4.21Å; A195-Y197 WeakPolarHBondContact O-CD2 3.37Å; A195-Y197 PolarHBondContact O-N 3.43Å
196	K	43.9	Very low	45.5	Very low	191 Å²	191	133.1 Å²	133.1	83%	0.83	76%	0.764	S	S	*	*			trans	-59.6	96.6	163.9	-85.3	-178	175.5	178.2	0	106.1	S194 A198	S194-K196 PolarHBondContact O-N 3.36Å; K196-A198 PolarHBondContact O-N 3.34Å
197	Y	52.8	Low	44.8	Very low	207 Å²	207	131.1 Å²	131.1	81%	0.812	76%	0.764	S	S	*	*			trans	-63.9	108.2	162.7	-70.9	-82.1	0	0	0	106.6	A195	A195-Y197 VanDerWaalsContact C-N 3.25Å; A195-Y197 HydrophobicContact CB-CE2 4.21Å; A195-Y197 WeakPolarHBondContact O-CD2 3.37Å; A195-Y197 PolarHBondContact O-N 3.43Å
198	A	53	Low	44.4	Very low	82 Å²	82	132.3 Å²	132.3	68%	0.678	77%	0.766	S	S	*	*			trans	-58.6	130.9	166.2	0	0	0	0	0	107.2	K196 T200	K196-A198 PolarHBondContact O-N 3.34Å; A198-T200 PolarHBondContact O-N 3.41Å; A198-T200 VanDerWaalsContact O-N 3.15Å
199	P	49.8	Very low	44.5	Very low	121 Å²	121	132.6 Å²	132.6	79%	0.786	77%	0.772	S	S	*	*			trans	-60.6	123.6	179.1	23.3	-31.2	0	0	0	109	K201	P199-K201 PolarHBondContact O-N 3.05Å; P199-K201 VanDerWaalsContact O-N 3.07Å
200	T	48.2	Very low	44.3	Very low	138 Å²	138	137 Å²	137	85%	0.847	78%	0.781	S	S	*	*			trans	-58.1	113.8	172.6	-41.7	0	0	0	0	107.9	A198 R202	A198-T200 PolarHBondContact O-N 3.41Å; A198-T200 VanDerWaalsContact O-N 3.15Å; T200-R202 PolarHBondContact O-N 3.09Å
201	K	51.2	Low	44.6	Very low	200 Å²	200	139.2 Å²	139.2	87%	0.87	78%	0.78	S	S	*	*			trans	-57.1	112.7	170.8	-78.7	-175.1	177.4	-177.7	0	107.6	P199 A203	P199-K201 PolarHBondContact O-N 3.05Å; P199-K201 VanDerWaalsContact O-N 3.07Å; K201-A203 PolarHBondContact O-N 3.32Å; K201-A203 VanDerWaalsContact O-N 3.15Å
202	R	42.7	Very low	44.7	Very low	241 Å²	241	141.1 Å²	141.1	91%	0.909	78%	0.782	S	S	*	*			trans	-59.4	115.6	166.7	-96.7	-179.3	172.3	174.2	-2	107.5	T200 T204	T200-R202 PolarHBondContact O-N 3.09Å; R202-T204 PolarHBondContact O-N 3.43Å
203	A	46	Very low	45.1	Very low	99 Å²	99	146.8 Å²	146.8	82%	0.818	79%	0.787	S	S	*	*			trans	-67.7	112.2	163.2	0	0	0	0	0	107.7	K201	K201-A203 PolarHBondContact O-N 3.32Å; K201-A203 VanDerWaalsContact O-N 3.15Å
204	T	44.2	Very low	45.2	Very low	125 Å²	125	146.3 Å²	146.3	77%	0.767	78%	0.784	S	S	*	*			trans	-66.8	132.2	165.6	32.5	0	0	0	0	109	R202 N206	R202-T204 PolarHBondContact O-N 3.43Å; T204-N206 PolarHBondContact O-N 3.17Å; T204-N206 VanDerWaalsContact O-N 3.16Å
205	P	44.1	Very low	45.3	Very low	117 Å²	117	147.9 Å²	147.9	76%	0.76	78%	0.784	S	S	*	*	S	Bend	trans	-80.2	99.5	174	31.4	-26.7	0	0	0	107
206	N	40.8	Very low	45	Very low	160 Å²	160	156 Å²	156	86%	0.856	80%	0.802	S	S	*	*			trans	151.3	127.2	150.5	-76.6	-17.7	0	0	0	110.4	T204	T204-N206 PolarHBondContact O-N 3.17Å; T204-N206 VanDerWaalsContact O-N 3.16Å
207	G	41	Very low	44.9	Very low	66 Å²	66	157 Å²	157	68%	0.68	82%	0.824	S	S	*	*	S	Bend	trans	110.5	100.1	157.2	0	0	0	0	0	115.5
208	T	36.5	Very low	44.5	Very low	139 Å²	139	154.6 Å²	154.6	85%	0.853	83%	0.825	S	S	*	*			trans	56.2	106.2	147.5	55.2	0	0	0	0	118.6	D210	T208-D210 PolarHBondContact O-N 2.99Å
209	V	46.3	Very low	44.1	Very low	124 Å²	124	158.4 Å²	158.4	75%	0.752	83%	0.832	S	S	*	*			trans	-57.7	113.6	161.4	176	0	0	0	0	109.2	Y211	V209-Y211 HydrophobicContact CG1-CD2 3.49Å; V209-Y211 VanDerWaalsContact CG1-CD2 3.49Å; V209-Y211 HydrophobicContact CG1-CE2 3.37Å
210	D	39.6	Very low	43.8	Very low	149 Å²	149	160.4 Å²	160.4	80%	0.797	84%	0.835	S	S	*	*			trans	-120.1	111.2	164.8	-159.8	23.3	0	0	0	108.6	T208	T208-D210 PolarHBondContact O-N 2.99Å
211	Y	43.6	Very low	43.5	Very low	200 Å²	200	161.8 Å²	161.8	78%	0.784	83%	0.834	S	S	*	*			trans	-87.3	104.2	172.6	-80.3	-83.8	0	0	0	107.5	V209 K213	V209-Y211 HydrophobicContact CG1-CD2 3.49Å; V209-Y211 VanDerWaalsContact CG1-CD2 3.49Å; V209-Y211 HydrophobicContact CG1-CE2 3.37Å; Y211-K213 VanDerWaalsContact C-N 3.3Å; Y211-K213 PolarHBondContact O-N 2.68Å
212	D	42.4	Very low	43	Very low	146 Å²	146	159.4 Å²	159.4	78%	0.781	83%	0.832	S	S	*	*			trans	-74.3	86.6	174.9	-160.9	1.8	0	0	0	110.3
213	K	51.5	Low	43	Very low	188 Å²	188	153.9 Å²	153.9	82%	0.817	83%	0.827	S	S	*	*			trans	-77.7	109	151.8	-83.8	-179.5	176.8	176	0	106.3	Y211	Y211-K213 VanDerWaalsContact C-N 3.3Å; Y211-K213 PolarHBondContact O-N 2.68Å
214	R	41.8	Very low	42.8	Very low	210 Å²	210	157.9 Å²	157.9	79%	0.792	83%	0.827	S	S	*	*			trans	-178.2	121.8	139.2	-99.6	165.6	-145.6	-148.4	9.1	113.2
215	N	41.5	Very low	42.7	Very low	136 Å²	136	160.4 Å²	160.4	73%	0.727	83%	0.832	S	S	*	*			trans	77.7	88.9	134.7	-53.3	-18.2	0	0	0	118.8
216	Y	44.1	Very low	42.6	Very low	238 Å²	238	164 Å²	164	93%	0.933	84%	0.838	S	S	*	*				-79.1	135.2	122.8	-73.8	-97.3	0	0	0	107.6
217	V	42.3	Very low	42.8	Very low	212 Å²	212	164.4 Å²	164.4	100%	1.285	84%	0.837	S	S	*	*			trans	-57	0	175.8	-179.6	0	0	0	0	111.4

Retrieved 217 of 217 residues in 1051 ms (Link to these results)

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