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Mediator of RNA polymerase II transcription subunit 21

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB (H2Q5M9), UniProt , Accession A0A024RAW0, Species HUMAN (Homo sapiens, Human), Gene MED21, Length 144 aa.

						>A0A024RAW0_HUMAN|A0A024RAW0|MED21
MADRLTQLQDAVNSLADQFCNAIGVLQQCGPPASFNNIQTAINKDQPANPTEEYAQLFAALIARTAKDIDVLIDSLPSEESTAALQAASLYKLEEENHEAATCLEDVVYRGDMLLEKIQSALADIAQSQLKTRSGTHSQSLPDS
					

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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	46.4	Very low	86.1	Confident	247 Å²	247	87.8 Å²	87.8	100%	1.217	45%	0.452	S	S	*	.				0	98.9	0	-176.6	179.1	-95.6	0	0	105.6
2	A	59	Low	87.1	Confident	42 Å²	42	86.5 Å²	86.5	35%	0.347	45%	0.451	S	S	.	.			trans	-79.8	134.5	-178.2	0	0	0	0	0	108.7	T6 Q7	A2-T6 HydrophobicContact CB-CG2 4.07Å; A2-Q7 HydrophobicContact CB-CG 3.95Å; A2-Q7 PolarHBondContact O-NE2 3.09Å
3	D	89	Confident	87.9	Confident	103 Å²	103	87.4 Å²	87.4	55%	0.551	46%	0.457	S	S	*	.			trans	-62.1	158.9	171.7	175.6	49.7	0	0	0	110.6	L5 T6 Q7	D3-L5 PolarHBondContact O-N 3.46Å; D3-L5 WeakPolarHBondContact OD2-CB 3.5Å; D3-L5 PolarHBondContact OD2-N 2.88Å; D3-T6 WeakPolarHBondContact O-CB 3.39Å; D3-T6 PolarHBondContact O-N 3.38Å; D3-Q7 WeakPolarHBondContact O-CG 3.36Å; D3-Q7 PolarHBondContact O-N 2.92Å
4	R	90.1	Very high	88.5	Confident	113 Å²	113	84.8 Å²	84.8	43%	0.426	45%	0.449	S	S	.	.	H	α-helix	trans	-57.4	-35.1	-179.2	-69.8	-65	-178.8	-175.5	6.5	112.3	Q7 L8 L76	R4-Q7 PolarHBondContact O-N 2.89Å; R4-L8 WeakPolarHBondContact O-CB 3.34Å; R4-L8 PolarHBondContact O-N 3.45Å; R4-L76 HydrophobicContact CB-CD2 3.84Å
5	L	90.9	Very high	89.1	Confident	95 Å²	95	81.2 Å²	81.2	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-68.4	-36.8	176.3	-172.3	64.2	0	0	0	112.3	D3 L8 Q9	D3-L5 PolarHBondContact O-N 3.46Å; D3-L5 WeakPolarHBondContact OD2-CB 3.5Å; D3-L5 PolarHBondContact OD2-N 2.88Å; L5-L8 PolarHBondContact O-N 3.36Å; L5-Q9 WeakPolarHBondContact O-CG 3.45Å; L5-Q9 PolarHBondContact O-N 2.98Å; L5-Q9 VanDerWaalsContact O-N 3.12Å; L5-Q9 PolarHBondContact O-NE2 3.44Å
6	T	93.4	Very high	89.7	Confident	60 Å²	60	79.2 Å²	79.2	37%	0.368	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-43.1	174.7	-53.2	0	0	0	0	110.9	A2 D3 L8 Q9 D10	A2-T6 HydrophobicContact CB-CG2 4.07Å; D3-T6 WeakPolarHBondContact O-CB 3.39Å; D3-T6 PolarHBondContact O-N 3.38Å; T6-L8 VanDerWaalsContact C-N 3.28Å; T6-L8 PolarHBondContact O-N 3.34Å; T6-Q9 WeakPolarHBondContact O-CB 3.48Å; T6-Q9 PolarHBondContact O-N 3.39Å; T6-D10 PolarHBondContact O-N 3.44Å
7	Q	94.4	Very high	90.1	Very high	63 Å²	63	80.4 Å²	80.4	29%	0.294	44%	0.435	S	S	.	.	H	α-helix	trans	-59.6	-40	175.5	-67.7	173.4	38.1	0	0	112	A2 D3 R4 D10 A11 L72	A2-Q7 HydrophobicContact CB-CG 3.95Å; A2-Q7 PolarHBondContact O-NE2 3.09Å; D3-Q7 WeakPolarHBondContact O-CG 3.36Å; D3-Q7 PolarHBondContact O-N 2.92Å; R4-Q7 PolarHBondContact O-N 2.89Å; Q7-D10 PolarHBondContact O-N 3Å; Q7-A11 WeakPolarHBondContact O-CB 3.37Å; Q7-A11 PolarHBondContact O-N 3.33Å; Q7-L72 HydrophobicContact CB-CD1 4.34Å; Q7-L72 HydrophobicContact CB-CD2 4.19Å
8	L	95.5	Very high	90.5	Very high	27 Å²	27	77.4 Å²	77.4	14%	0.141	42%	0.418	C	S	.	.	H	α-helix	trans	-63.7	-43.5	176.5	-176.9	62.4	0	0	0	111.5	R4 L5 T6 A11 V12 I69 L72 I73 L76	R4-L8 WeakPolarHBondContact O-CB 3.34Å; R4-L8 PolarHBondContact O-N 3.45Å; L5-L8 PolarHBondContact O-N 3.36Å; T6-L8 VanDerWaalsContact C-N 3.28Å; T6-L8 PolarHBondContact O-N 3.34Å; L8-A11 PolarHBondContact O-N 3.38Å; L8-V12 VanDerWaalsContact O-CG2 3.32Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.49Å; L8-I69 HydrophobicContact CD1-CB 4.48Å; L8-I69 HydrophobicContact CD1-CG1 4.49Å; L8-I69 HydrophobicContact CD1-CG2 3.87Å; L8-L72 HydrophobicContact CD1-CB 4.15Å; L8-I73 HydrophobicContact CD1-CG1 3.97Å; L8-I73 HydrophobicContact CD2-CG1 4.19Å; L8-L76 HydrophobicContact CD2-CD1 4.31Å
9	Q	95.6	Very high	90.8	Very high	107 Å²	107	78.6 Å²	78.6	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-45.3	175.5	-73.9	171.3	67.1	0	0	111.8	L5 T6 A11 V12 N13	L5-Q9 WeakPolarHBondContact O-CG 3.45Å; L5-Q9 PolarHBondContact O-N 2.98Å; L5-Q9 VanDerWaalsContact O-N 3.12Å; L5-Q9 PolarHBondContact O-NE2 3.44Å; T6-Q9 WeakPolarHBondContact O-CB 3.48Å; T6-Q9 PolarHBondContact O-N 3.39Å; Q9-A11 VanDerWaalsContact C-N 3.33Å; Q9-A11 PolarHBondContact O-N 2.93Å; Q9-V12 PolarHBondContact O-N 3.27Å; Q9-N13 PolarHBondContact O-N 2.94Å; Q9-N13 PolarHBondContact O-ND2 2.89Å
10	D	96.4	Very high	91.2	Very high	92 Å²	92	79 Å²	79	49%	0.492	43%	0.427	S	S	.	.	H	α-helix	trans	-63.4	-40.2	178.2	-67.2	-26.4	0	0	0	111.6	T6 Q7 N13 S14	T6-D10 PolarHBondContact O-N 3.44Å; Q7-D10 PolarHBondContact O-N 3Å; D10-N13 PolarHBondContact O-N 3.4Å; D10-S14 WeakPolarHBondContact O-CB 3.48Å; D10-S14 PolarHBondContact O-N 3.41Å
11	A	96.6	Very high	91.4	Very high	17 Å²	17	79.7 Å²	79.7	14%	0.14	43%	0.431	C	S	.	.	H	α-helix	trans	-65.9	-41	177.5	0	0	0	0	0	112.2	Q7 L8 Q9 S14 L15 I69 L72	Q7-A11 WeakPolarHBondContact O-CB 3.37Å; Q7-A11 PolarHBondContact O-N 3.33Å; L8-A11 PolarHBondContact O-N 3.38Å; Q9-A11 VanDerWaalsContact C-N 3.33Å; Q9-A11 PolarHBondContact O-N 2.93Å; A11-S14 PolarHBondContact O-N 3Å; A11-L15 WeakPolarHBondContact O-CB 3.23Å; A11-L15 PolarHBondContact O-N 3.43Å; A11-I69 HydrophobicContact CB-CD1 4.33Å; A11-I69 HydrophobicContact CB-CG1 3.68Å; A11-L72 HydrophobicContact CB-CD1 4.01Å
12	V	97.5	Very high	93.7	Very high	72 Å²	72	68.2 Å²	68.2	44%	0.436	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-42.6	175.7	171.3	0	0	0	0	111.3	L8 Q9 L15 A16 I69	L8-V12 VanDerWaalsContact O-CG2 3.32Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.49Å; Q9-V12 PolarHBondContact O-N 3.27Å; V12-L15 WeakPolarHBondContact O-CB 3.39Å; V12-L15 PolarHBondContact O-N 3.5Å; V12-A16 PolarHBondContact O-N 2.96Å; V12-I69 HydrophobicContact CG2-CD1 4.03Å; V12-I69 HydrophobicContact CG2-CG1 4.45Å
13	N	97.4	Very high	95.4	Very high	98 Å²	98	70.6 Å²	70.6	52%	0.524	38%	0.381	S	S	.	.	H	α-helix	trans	-61.1	-46	174.8	-74.7	-23.2	0	0	0	111.2	Q9 D10 L15 A16 D17	Q9-N13 PolarHBondContact O-N 2.94Å; Q9-N13 PolarHBondContact O-ND2 2.89Å; D10-N13 PolarHBondContact O-N 3.4Å; N13-L15 VanDerWaalsContact C-N 3.31Å; N13-L15 PolarHBondContact O-N 3.17Å; N13-A16 WeakPolarHBondContact O-CB 3.43Å; N13-A16 PolarHBondContact O-N 3.44Å; N13-A16 VanDerWaalsContact O-N 3.14Å; N13-D17 PolarHBondContact O-N 3.41Å
14	S	96.6	Very high	95.7	Very high	51 Å²	51	67.5 Å²	67.5	36%	0.357	37%	0.373	S	S	.	.	H	α-helix	trans	-59.7	-39.9	176	-175.4	0	0	0	0	112.2	D10 A11 D17 Q18	D10-S14 WeakPolarHBondContact O-CB 3.48Å; D10-S14 PolarHBondContact O-N 3.41Å; A11-S14 PolarHBondContact O-N 3Å; S14-D17 PolarHBondContact O-N 3.23Å; S14-Q18 VanDerWaalsContact O-CG 3.24Å; S14-Q18 WeakPolarHBondContact O-CG 3.29Å; S14-Q18 PolarHBondContact O-N 3.33Å
15	L	97.7	Very high	95.8	Very high	31 Å²	31	64.1 Å²	64.1	16%	0.162	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-43	175.2	-175.6	62.8	0	0	0	111.7	A11 V12 N13 Q18 F19 I62 T65 I69	A11-L15 WeakPolarHBondContact O-CB 3.23Å; A11-L15 PolarHBondContact O-N 3.43Å; V12-L15 WeakPolarHBondContact O-CB 3.39Å; V12-L15 PolarHBondContact O-N 3.5Å; N13-L15 VanDerWaalsContact C-N 3.31Å; N13-L15 PolarHBondContact O-N 3.17Å; L15-Q18 PolarHBondContact O-N 3.28Å; L15-F19 HydrophobicContact CD1-CD2 4.22Å; L15-F19 HydrophobicContact CD1-CE2 3.83Å; L15-F19 HydrophobicContact CD2-CE2 4.3Å; L15-F19 HydrophobicContact CG-CD2 4.05Å; L15-F19 HydrophobicContact CG-CE2 3.82Å; L15-F19 VanDerWaalsContact O-CD2 3.26Å; L15-F19 WeakPolarHBondContact O-CD2 3.36Å; L15-F19 PolarHBondContact O-N 2.93Å; L15-I62 HydrophobicContact CD1-CB 4.34Å; L15-I62 HydrophobicContact CD1-CG1 4.47Å; L15-I62 HydrophobicContact CD1-CG2 3.91Å; L15-T65 HydrophobicContact CB-CG2 3.93Å; L15-T65 HydrophobicContact CD1-CG2 4.28Å; L15-I69 HydrophobicContact CB-CD1 4.16Å; L15-I69 HydrophobicContact CD2-CD1 3.75Å
16	A	97.9	Very high	95.8	Very high	49 Å²	49	62.1 Å²	62.1	41%	0.405	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.2	0	0	0	0	0	112	V12 N13 F19 C20	V12-A16 PolarHBondContact O-N 2.96Å; N13-A16 WeakPolarHBondContact O-CB 3.43Å; N13-A16 PolarHBondContact O-N 3.44Å; N13-A16 VanDerWaalsContact O-N 3.14Å; A16-F19 PolarHBondContact O-N 2.8Å; A16-C20 PolarHBondContact O-N 2.92Å; A16-C20 PolarHBondContact O-SG 2.94Å; A16-C20 VanDerWaalsContact O-SG 3.34Å
17	D	97.5	Very high	95.6	Very high	100 Å²	100	66.4 Å²	66.4	54%	0.535	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-42.7	175.2	-74	-22.7	0	0	0	111.4	N13 S14 F19 C20 N21	N13-D17 PolarHBondContact O-N 3.41Å; S14-D17 PolarHBondContact O-N 3.23Å; D17-F19 PolarHBondContact O-N 2.91Å; D17-C20 PolarHBondContact O-N 3.28Å; D17-N21 VanDerWaalsContact O-CB 3.31Å; D17-N21 WeakPolarHBondContact O-CB 3.48Å; D17-N21 PolarHBondContact O-N 3.04Å; D17-N21 PolarHBondContact O-ND2 2.97Å
18	Q	96.6	Very high	95.3	Very high	26 Å²	26	71.3 Å²	71.3	12%	0.121	39%	0.394	C	S	.	.	H	α-helix	trans	-60.6	-42.8	176.1	-72.4	170.9	18.2	0	0	111.9	S14 L15 A22 L61 I62 T65	S14-Q18 VanDerWaalsContact O-CG 3.24Å; S14-Q18 WeakPolarHBondContact O-CG 3.29Å; S14-Q18 PolarHBondContact O-N 3.33Å; L15-Q18 PolarHBondContact O-N 3.28Å; Q18-A22 WeakPolarHBondContact O-CB 3.49Å; Q18-A22 PolarHBondContact O-N 2.78Å; Q18-L61 PolarHBondContact OE1-O 3.05Å; Q18-I62 HydrophobicContact CB-CG1 3.97Å; Q18-T65 PolarHBondContact NE2-OG1 2.98Å; Q18-T65 PolarHBondContact OE1-OG1 3.35Å
19	F	97.4	Very high	94.7	Very high	100 Å²	100	71.7 Å²	71.7	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-46.6	174.7	-85.1	-65.7	0	0	0	112.3	L15 A16 D17 N21 A22 I23 I62	L15-F19 HydrophobicContact CD1-CD2 4.22Å; L15-F19 HydrophobicContact CD1-CE2 3.83Å; L15-F19 HydrophobicContact CD2-CE2 4.3Å; L15-F19 HydrophobicContact CG-CD2 4.05Å; L15-F19 HydrophobicContact CG-CE2 3.82Å; L15-F19 VanDerWaalsContact O-CD2 3.26Å; L15-F19 WeakPolarHBondContact O-CD2 3.36Å; L15-F19 PolarHBondContact O-N 2.93Å; A16-F19 PolarHBondContact O-N 2.8Å; D17-F19 PolarHBondContact O-N 2.91Å; F19-N21 PolarHBondContact O-N 3.09Å; F19-A22 PolarHBondContact O-N 3.14Å; F19-I23 VanDerWaalsContact O-CG1 3.28Å; F19-I23 WeakPolarHBondContact O-CG1 3.31Å; F19-I23 PolarHBondContact O-N 3.3Å; F19-I62 HydrophobicContact CD1-CD1 3.8Å; F19-I62 HydrophobicContact CE1-CD1 3.82Å; F19-I62 HydrophobicContact CE1-CG2 4Å; F19-I62 HydrophobicContact CE2-CG2 3.96Å; F19-I62 HydrophobicContact CG-CD1 4.31Å; F19-I62 HydrophobicContact CZ-CD1 4.34Å; F19-I62 HydrophobicContact CZ-CG2 3.51Å
20	C	97.2	Very high	93.9	Very high	86 Å²	86	68.4 Å²	68.4	58%	0.581	39%	0.392	S	S	*	.	H	α-helix	trans	-62.2	-45.6	179.7	-68.7	0	0	0	0	111.6	A16 D17 I23 G24	A16-C20 PolarHBondContact O-N 2.92Å; A16-C20 PolarHBondContact O-SG 2.94Å; A16-C20 VanDerWaalsContact O-SG 3.34Å; D17-C20 PolarHBondContact O-N 3.28Å; C20-I23 PolarHBondContact O-N 3.17Å; C20-G24 PolarHBondContact O-N 3.08Å
21	N	95.8	Very high	92.8	Very high	95 Å²	95	67.9 Å²	67.9	51%	0.508	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-42.7	178	-69.9	-33	0	0	0	111.7	D17 F19 G24 V25 F58	D17-N21 VanDerWaalsContact O-CB 3.31Å; D17-N21 WeakPolarHBondContact O-CB 3.48Å; D17-N21 PolarHBondContact O-N 3.04Å; D17-N21 PolarHBondContact O-ND2 2.97Å; F19-N21 PolarHBondContact O-N 3.09Å; N21-G24 PolarHBondContact O-N 3.48Å; N21-V25 WeakPolarHBondContact O-CB 3.48Å; N21-V25 WeakPolarHBondContact O-CG2 3.48Å; N21-V25 PolarHBondContact O-N 2.95Å; N21-F58 HydrophobicContact CB-CE1 4.17Å
22	A	95.6	Very high	91.8	Very high	6 Å²	6	71.7 Å²	71.7	5%	0.05	42%	0.417	C	S	.	.	H	α-helix	trans	-60.1	-48.1	177.4	0	0	0	0	0	111.5	Q18 F19 G24 L26 F58 I62	Q18-A22 WeakPolarHBondContact O-CB 3.49Å; Q18-A22 PolarHBondContact O-N 2.78Å; F19-A22 PolarHBondContact O-N 3.14Å; A22-G24 PolarHBondContact O-N 3.12Å; A22-L26 VanDerWaalsContact O-CB 3.24Å; A22-L26 WeakPolarHBondContact O-CB 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.46Å; A22-L26 PolarHBondContact O-N 2.89Å; A22-F58 HydrophobicContact CB-CB 3.66Å; A22-F58 HydrophobicContact CB-CD1 3.7Å; A22-F58 HydrophobicContact CB-CD2 3.82Å; A22-F58 HydrophobicContact CB-CE1 4.28Å; A22-F58 HydrophobicContact CB-CE2 4.4Å; A22-F58 HydrophobicContact CB-CG 3.45Å; A22-F58 VanDerWaalsContact CB-CG 3.45Å; A22-I62 HydrophobicContact CB-CD1 4.37Å
23	I	94.6	Very high	90.5	Very high	92 Å²	92	72.1 Å²	72.1	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-47.2	178.4	-67.9	167.1	0	0	0	110.4	F19 C20 Q27	F19-I23 VanDerWaalsContact O-CG1 3.28Å; F19-I23 WeakPolarHBondContact O-CG1 3.31Å; F19-I23 PolarHBondContact O-N 3.3Å; C20-I23 PolarHBondContact O-N 3.17Å; I23-Q27 HydrophobicContact CG2-CG 4.38Å; I23-Q27 VanDerWaalsContact O-CB 3.32Å; I23-Q27 WeakPolarHBondContact O-CB 3.47Å; I23-Q27 VanDerWaalsContact O-CG 3.25Å; I23-Q27 WeakPolarHBondContact O-CG 3.48Å; I23-Q27 PolarHBondContact O-N 2.9Å
24	G	94.1	Very high	89	Confident	38 Å²	38	71 Å²	71	39%	0.392	43%	0.429	S	S	.	.	H	α-helix	trans	-59.7	-50	-179.9	0	0	0	0	0	113	C20 N21 A22 Q28	C20-G24 PolarHBondContact O-N 3.08Å; N21-G24 PolarHBondContact O-N 3.48Å; A22-G24 PolarHBondContact O-N 3.12Å; G24-Q28 WeakPolarHBondContact O-CB 3.38Å; G24-Q28 PolarHBondContact O-N 3.39Å
25	V	92.8	Very high	87.9	Confident	42 Å²	42	75.2 Å²	75.2	26%	0.255	44%	0.441	S	S	.	.	H	α-helix	trans	-67.3	-44.6	-178.9	172.8	0	0	0	0	111.5	N21 Q27 Q28 C29 Y54 F58	N21-V25 WeakPolarHBondContact O-CB 3.48Å; N21-V25 WeakPolarHBondContact O-CG2 3.48Å; N21-V25 PolarHBondContact O-N 2.95Å; V25-Q27 VanDerWaalsContact C-N 3.34Å; V25-Q27 PolarHBondContact O-N 3.4Å; V25-Q28 PolarHBondContact O-N 3.49Å; V25-C29 WeakPolarHBondContact O-CB 3.25Å; V25-C29 PolarHBondContact O-N 2.98Å; V25-Y54 HydrophobicContact CG1-CD1 4.34Å; V25-Y54 HydrophobicContact CG1-CD2 4.05Å; V25-Y54 HydrophobicContact CG1-CE2 4.5Å; V25-Y54 HydrophobicContact CG1-CG 3.97Å; V25-F58 HydrophobicContact CB-CE2 3.83Å; V25-F58 HydrophobicContact CB-CZ 4.18Å; V25-F58 HydrophobicContact CG1-CE2 3.95Å; V25-F58 HydrophobicContact CG2-CE2 4.23Å; V25-F58 HydrophobicContact CG2-CZ 4.08Å
26	L	90.6	Very high	86.4	Confident	53 Å²	53	80.5 Å²	80.5	28%	0.277	47%	0.469	S	S	.	.	H	α-helix	trans	-67.7	-34.3	-178.7	-68.1	175.8	0	0	0	112.4	A22 G30 T51 A55	A22-L26 VanDerWaalsContact O-CB 3.24Å; A22-L26 WeakPolarHBondContact O-CB 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.46Å; A22-L26 PolarHBondContact O-N 2.89Å; L26-G30 WeakPolarHBondContact O-CA 3.37Å; L26-G30 PolarHBondContact O-N 3.44Å; L26-T51 HydrophobicContact CD2-CG2 3.9Å; L26-A55 HydrophobicContact CD1-CB 4.48Å; L26-A55 HydrophobicContact CD2-CB 3.91Å
27	Q	89.3	Confident	84.8	Confident	149 Å²	149	85.4 Å²	85.4	70%	0.696	49%	0.489	S	S	*	.	H	α-helix	trans	-68.7	-41.3	172.8	-75.2	178.9	-3.8	0	0	111.9	I23 V25 C29 G30	I23-Q27 HydrophobicContact CG2-CG 4.38Å; I23-Q27 VanDerWaalsContact O-CB 3.32Å; I23-Q27 WeakPolarHBondContact O-CB 3.47Å; I23-Q27 VanDerWaalsContact O-CG 3.25Å; I23-Q27 WeakPolarHBondContact O-CG 3.48Å; I23-Q27 PolarHBondContact O-N 2.9Å; V25-Q27 VanDerWaalsContact C-N 3.34Å; V25-Q27 PolarHBondContact O-N 3.4Å; Q27-C29 VanDerWaalsContact C-N 3.34Å; Q27-C29 PolarHBondContact O-N 3.46Å; Q27-G30 PolarHBondContact O-N 2.87Å
28	Q	88.4	Confident	83	Confident	167 Å²	167	86.3 Å²	86.3	78%	0.78	49%	0.492	S	S	*	.	H	α-helix	trans	-64.6	-38.6	178.3	-176.7	179.5	3.4	0	0	112.4	G24 V25	G24-Q28 WeakPolarHBondContact O-CB 3.38Å; G24-Q28 PolarHBondContact O-N 3.39Å; V25-Q28 PolarHBondContact O-N 3.49Å
29	C	83.4	Confident	81.1	Confident	35 Å²	35	92.7 Å²	92.7	24%	0.236	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	2	-179.3	-61.9	0	0	0	0	113.3	V25 Q27 T51	V25-C29 WeakPolarHBondContact O-CB 3.25Å; V25-C29 PolarHBondContact O-N 2.98Å; Q27-C29 VanDerWaalsContact C-N 3.34Å; Q27-C29 PolarHBondContact O-N 3.46Å; C29-T51 HydrophobicContact CB-CG2 4.48Å; C29-T51 PolarHBondContact O-OG1 3.37Å
30	G	78.6	Confident	78.9	Confident	37 Å²	37	92.3 Å²	92.3	38%	0.381	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.2	126.7	-177.1	0	0	0	0	0	111.7	L26 Q27	L26-G30 WeakPolarHBondContact O-CA 3.37Å; L26-G30 PolarHBondContact O-N 3.44Å; Q27-G30 PolarHBondContact O-N 2.87Å
31	P	73.7	Confident	76.7	Confident	81 Å²	81	93.1 Å²	93.1	53%	0.526	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-64.5	145.2	173.8	26.1	-32.1	0	0	0	110.4	A33	P31-A33 PolarHBondContact O-N 3.38Å
32	P	74.8	Confident	74.8	Confident	97 Å²	97	95.4 Å²	95.4	63%	0.63	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-59.8	134.6	172.8	23.3	-30.5	0	0	0	109.9	S34	P32-S34 PolarHBondContact O-N 3.49Å
33	A	69.9	Low	72.9	Confident	81 Å²	81	100 Å²	100	67%	0.669	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-60.3	124.3	177.6	0	0	0	0	0	109.9	P31	P31-A33 PolarHBondContact O-N 3.38Å
34	S	66	Low	70.7	Confident	76 Å²	76	105.4 Å²	105.4	53%	0.531	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-86.1	121.5	175	-169.2	0	0	0	0	109.2	P32	P32-S34 PolarHBondContact O-N 3.49Å
35	F	73.6	Confident	68.5	Low	139 Å²	139	111.4 Å²	111.4	61%	0.61	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-90.5	129.6	170	-63.7	-83.1	0	0	0	108.5	N37 I38	F35-N37 PolarHBondContact O-N 3.44Å; F35-I38 PolarHBondContact O-N 2.93Å
36	N	67.6	Low	66.8	Low	141 Å²	141	114.7 Å²	114.7	75%	0.754	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	-18.3	-178.9	-83.2	-9.1	0	0	0	114.4
37	N	62.9	Low	65.2	Low	153 Å²	153	117.1 Å²	117.1	82%	0.818	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-11.4	-172.6	-38.9	-15.9	0	0	0	112.7	F35	F35-N37 PolarHBondContact O-N 3.44Å
38	I	61.1	Low	63.9	Low	119 Å²	119	114.8 Å²	114.8	61%	0.61	66%	0.656	S	S	*	*			trans	-132.4	57.1	-174.3	-47	178.1	0	0	0	108.4	F35 T40	F35-I38 PolarHBondContact O-N 2.93Å; I38-T40 PolarHBondContact O-N 3.02Å
39	Q	55.4	Low	62.8	Low	159 Å²	159	110 Å²	110	74%	0.743	64%	0.636	S	S	*	*			trans	-79.1	71.3	167.1	-84.4	-178.2	5.1	0	0	109.6	A41	Q39-A41 PolarHBondContact O-N 3.08Å
40	T	51.9	Low	62.5	Low	92 Å²	92	111 Å²	111	56%	0.564	64%	0.642	S	S	*	*			trans	-84.7	99.1	165.3	-29.3	0	0	0	0	107.6	I38 I42	I38-T40 PolarHBondContact O-N 3.02Å; T40-I42 WeakPolarHBondContact O-CG1 3.35Å; T40-I42 PolarHBondContact O-N 3.04Å
41	A	51.6	Low	62.6	Low	103 Å²	103	110.5 Å²	110.5	85%	0.851	63%	0.632	S	S	*	*	S	Bend	trans	26.6	18	143	0	0	0	0	0	122.9	Q39	Q39-A41 PolarHBondContact O-N 3.08Å
42	I	55.8	Low	63.2	Low	144 Å²	144	113.5 Å²	113.5	74%	0.738	64%	0.639	S	S	*	*			trans	-99.3	-18.6	-173.8	-61.6	170.3	0	0	0	112	T40 K44	T40-I42 WeakPolarHBondContact O-CG1 3.35Å; T40-I42 PolarHBondContact O-N 3.04Å; I42-K44 PolarHBondContact O-N 3.33Å
43	N	54.1	Low	63.9	Low	103 Å²	103	115.9 Å²	115.9	55%	0.551	64%	0.641	S	S	*	*			trans	-99.9	25.8	-163.7	-68.7	-44.4	0	0	0	116.4
44	K	49.6	Very low	64.9	Low	205 Å²	205	116.6 Å²	116.6	89%	0.891	63%	0.627	S	S	*	*	S	Bend	trans	-92.1	-6.1	-174.9	-121.8	-176.6	180	-175.3	0	115.9	I42	I42-K44 PolarHBondContact O-N 3.33Å
45	D	48.6	Very low	66.2	Low	163 Å²	163	114.9 Å²	114.9	87%	0.872	62%	0.618	S	S	*	*	S	Bend	trans	-140.3	31.1	-172.7	-116.4	-45.5	0	0	0	113.3
46	Q	56.3	Low	67.2	Low	111 Å²	111	114.2 Å²	114.2	52%	0.519	62%	0.617	S	S	.	*			trans	-86.9	123.7	176.5	-158.6	158.3	55.9	0	0	109.7
47	P	56.7	Low	68.5	Low	105 Å²	105	111.9 Å²	111.9	68%	0.682	60%	0.604	S	S	*	*			trans	-58.9	156.4	176.4	23.4	-32.3	0	0	0	110.8	N49	P47-N49 PolarHBondContact O-N 2.87Å
48	A	61.9	Low	70.1	Confident	100 Å²	100	105.9 Å²	105.9	83%	0.826	57%	0.57	S	S	*	*			trans	-49.8	115.4	176.9	0	0	0	0	0	110	P50	A48-P50 WeakPolarHBondContact O-CD 3.46Å
49	N	64.6	Low	71.8	Confident	66 Å²	66	102.9 Å²	102.9	35%	0.353	56%	0.564	S	S	.	*			trans	-70.1	122	-179.4	-84.1	-28	0	0	0	109	P47 T51	P47-N49 PolarHBondContact O-N 2.87Å; N49-T51 PolarHBondContact O-N 3.17Å
50	P	77	Confident	73.8	Confident	55 Å²	55	98.2 Å²	98.2	36%	0.357	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	8.1	179.5	29.8	-35.5	0	0	0	113.4	A48 E52 E53 Y54	A48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-E52 VanDerWaalsContact C-N 3.27Å; P50-E52 PolarHBondContact O-N 3.33Å; P50-E53 PolarHBondContact O-N 3.22Å; P50-E53 VanDerWaalsContact O-N 3.16Å; P50-Y54 HydrophobicContact CB-CD2 4.02Å; P50-Y54 HydrophobicContact CB-CE2 3.73Å; P50-Y54 HydrophobicContact CG-CD2 4.2Å; P50-Y54 HydrophobicContact CG-CE2 3.71Å; P50-Y54 WeakPolarHBondContact O-CD2 3.32Å; P50-Y54 PolarHBondContact O-N 3.29Å
51	T	81.9	Confident	75.9	Confident	28 Å²	28	97 Å²	97	17%	0.172	54%	0.542	C	S	.	.	H	α-helix	trans	-57.2	-37.2	-176.5	-42.8	0	0	0	0	112.7	L26 C29 N49 A55	L26-T51 HydrophobicContact CD2-CG2 3.9Å; C29-T51 HydrophobicContact CB-CG2 4.48Å; C29-T51 PolarHBondContact O-OG1 3.37Å; N49-T51 PolarHBondContact O-N 3.17Å; T51-A55 VanDerWaalsContact O-CB 3.25Å; T51-A55 WeakPolarHBondContact O-CB 3.44Å; T51-A55 PolarHBondContact O-N 2.91Å
52	E	85.6	Confident	78.2	Confident	144 Å²	144	93.5 Å²	93.5	67%	0.673	51%	0.509	S	S	*	.	H	α-helix	trans	-71.1	-38.7	179.1	-167.5	169.3	-174	0	0	112	P50 A55 Q56	P50-E52 VanDerWaalsContact C-N 3.27Å; P50-E52 PolarHBondContact O-N 3.33Å; E52-A55 PolarHBondContact O-N 3.44Å; E52-Q56 WeakPolarHBondContact O-CG 3.36Å; E52-Q56 PolarHBondContact O-N 3.32Å
53	E	90.1	Very high	80.2	Confident	146 Å²	146	89.7 Å²	89.7	68%	0.682	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-44.4	175.1	-170.9	178.6	176.9	0	0	111	P50 A55 Q56 L57	P50-E53 PolarHBondContact O-N 3.22Å; P50-E53 VanDerWaalsContact O-N 3.16Å; E53-A55 PolarHBondContact O-N 3.04Å; E53-Q56 PolarHBondContact O-N 2.92Å; E53-L57 WeakPolarHBondContact O-CB 3.24Å; E53-L57 PolarHBondContact O-N 2.91Å
54	Y	91.3	Very high	82.2	Confident	96 Å²	96	93 Å²	93	38%	0.376	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-41	173.9	-71.2	-53.8	0	0	0	112.2	V25 P50 Q56 L57 F58	V25-Y54 HydrophobicContact CG1-CD1 4.34Å; V25-Y54 HydrophobicContact CG1-CD2 4.05Å; V25-Y54 HydrophobicContact CG1-CE2 4.5Å; V25-Y54 HydrophobicContact CG1-CG 3.97Å; P50-Y54 HydrophobicContact CB-CD2 4.02Å; P50-Y54 HydrophobicContact CB-CE2 3.73Å; P50-Y54 HydrophobicContact CG-CD2 4.2Å; P50-Y54 HydrophobicContact CG-CE2 3.71Å; P50-Y54 WeakPolarHBondContact O-CD2 3.32Å; P50-Y54 PolarHBondContact O-N 3.29Å; Y54-Q56 VanDerWaalsContact C-N 3.35Å; Y54-Q56 PolarHBondContact O-N 3.49Å; Y54-L57 PolarHBondContact O-N 2.89Å; Y54-F58 WeakPolarHBondContact O-CD2 3.15Å; Y54-F58 PolarHBondContact O-N 3.21Å
55	A	92	Very high	84.5	Confident	40 Å²	40	84 Å²	84	33%	0.331	47%	0.466	S	S	.	.	H	α-helix	trans	-61.5	-44.4	177.4	0	0	0	0	0	111.4	L26 T51 E52 E53 A59	L26-A55 HydrophobicContact CD1-CB 4.48Å; L26-A55 HydrophobicContact CD2-CB 3.91Å; T51-A55 VanDerWaalsContact O-CB 3.25Å; T51-A55 WeakPolarHBondContact O-CB 3.44Å; T51-A55 PolarHBondContact O-N 2.91Å; E52-A55 PolarHBondContact O-N 3.44Å; E53-A55 PolarHBondContact O-N 3.04Å; A55-A59 WeakPolarHBondContact O-CB 3.49Å; A55-A59 PolarHBondContact O-N 2.96Å
56	Q	94.7	Very high	86.8	Confident	125 Å²	125	78 Å²	78	58%	0.584	44%	0.438	S	S	*	.	H	α-helix	trans	-64.3	-43	175.9	-72.1	177	14	0	0	111.9	E52 E53 Y54 A59 A60	E52-Q56 WeakPolarHBondContact O-CG 3.36Å; E52-Q56 PolarHBondContact O-N 3.32Å; E53-Q56 PolarHBondContact O-N 2.92Å; Y54-Q56 VanDerWaalsContact C-N 3.35Å; Y54-Q56 PolarHBondContact O-N 3.49Å; Q56-A59 PolarHBondContact O-N 3.12Å; Q56-A60 WeakPolarHBondContact O-CB 3.44Å; Q56-A60 PolarHBondContact O-N 3.37Å
57	L	94.8	Very high	88.8	Confident	93 Å²	93	77.9 Å²	77.9	49%	0.487	44%	0.436	S	S	.	.	H	α-helix	trans	-60.3	-51.4	177.2	177.3	63.5	0	0	0	111.6	E53 Y54 A60 L61	E53-L57 WeakPolarHBondContact O-CB 3.24Å; E53-L57 PolarHBondContact O-N 2.91Å; Y54-L57 PolarHBondContact O-N 2.89Å; L57-A60 PolarHBondContact O-N 2.86Å; L57-L61 HydrophobicContact CD1-CD1 4.26Å; L57-L61 HydrophobicContact CD1-CG 4.42Å; L57-L61 HydrophobicContact CG-CD1 4.17Å; L57-L61 WeakPolarHBondContact O-CG 3.24Å; L57-L61 PolarHBondContact O-N 3.41Å
58	F	96.6	Very high	90.7	Very high	26 Å²	26	76.4 Å²	76.4	11%	0.114	42%	0.422	C	S	.	.	H	α-helix	trans	-65.6	-39.2	179.5	-73.8	-61	0	0	0	112	N21 A22 V25 Y54 A60 L61 I62	N21-F58 HydrophobicContact CB-CE1 4.17Å; A22-F58 HydrophobicContact CB-CB 3.66Å; A22-F58 HydrophobicContact CB-CD1 3.7Å; A22-F58 HydrophobicContact CB-CD2 3.82Å; A22-F58 HydrophobicContact CB-CE1 4.28Å; A22-F58 HydrophobicContact CB-CE2 4.4Å; A22-F58 HydrophobicContact CB-CG 3.45Å; A22-F58 VanDerWaalsContact CB-CG 3.45Å; V25-F58 HydrophobicContact CB-CE2 3.83Å; V25-F58 HydrophobicContact CB-CZ 4.18Å; V25-F58 HydrophobicContact CG1-CE2 3.95Å; V25-F58 HydrophobicContact CG2-CE2 4.23Å; V25-F58 HydrophobicContact CG2-CZ 4.08Å; Y54-F58 WeakPolarHBondContact O-CD2 3.15Å; Y54-F58 PolarHBondContact O-N 3.21Å; F58-A60 VanDerWaalsContact C-N 3.32Å; F58-A60 PolarHBondContact O-N 2.99Å; F58-L61 PolarHBondContact O-N 3.47Å; F58-I62 VanDerWaalsContact O-CB 3.32Å; F58-I62 WeakPolarHBondContact O-CB 3.43Å; F58-I62 WeakPolarHBondContact O-CD1 3.36Å; F58-I62 WeakPolarHBondContact O-CG1 3.46Å; F58-I62 PolarHBondContact O-N 3.48Å
59	A	97.3	Very high	92.4	Very high	57 Å²	57	72.5 Å²	72.5	47%	0.471	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-43.2	174.4	0	0	0	0	0	111.7	A55 Q56 A63	A55-A59 WeakPolarHBondContact O-CB 3.49Å; A55-A59 PolarHBondContact O-N 2.96Å; Q56-A59 PolarHBondContact O-N 3.12Å; A59-A63 WeakPolarHBondContact O-CB 3.38Å; A59-A63 PolarHBondContact O-N 3.37Å
60	A	97.4	Very high	93.9	Very high	61 Å²	61	72.9 Å²	72.9	50%	0.504	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-43.1	177.2	0	0	0	0	0	112.3	Q56 L57 F58 R64	Q56-A60 WeakPolarHBondContact O-CB 3.44Å; Q56-A60 PolarHBondContact O-N 3.37Å; L57-A60 PolarHBondContact O-N 2.86Å; F58-A60 VanDerWaalsContact C-N 3.32Å; F58-A60 PolarHBondContact O-N 2.99Å; A60-R64 VanDerWaalsContact O-CB 3.24Å; A60-R64 WeakPolarHBondContact O-CB 3.41Å; A60-R64 PolarHBondContact O-N 3.36Å
61	L	97.1	Very high	94.8	Very high	67 Å²	67	74 Å²	74	35%	0.351	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-51.1	177.2	-71.3	172.6	0	0	0	111.4	Q18 L57 F58 A63 R64 T65	Q18-L61 PolarHBondContact OE1-O 3.05Å; L57-L61 HydrophobicContact CD1-CD1 4.26Å; L57-L61 HydrophobicContact CD1-CG 4.42Å; L57-L61 HydrophobicContact CG-CD1 4.17Å; L57-L61 WeakPolarHBondContact O-CG 3.24Å; L57-L61 PolarHBondContact O-N 3.41Å; F58-L61 PolarHBondContact O-N 3.47Å; L61-A63 PolarHBondContact O-N 2.92Å; L61-R64 PolarHBondContact O-N 3.34Å; L61-T65 WeakPolarHBondContact O-CB 3.37Å; L61-T65 PolarHBondContact O-N 2.96Å; L61-T65 PolarHBondContact O-OG1 2.94Å
62	I	98.1	Very high	95.4	Very high	29 Å²	29	73.8 Å²	73.8	15%	0.149	39%	0.393	C	S	.	.	H	α-helix	trans	-60.4	-48.6	-179.8	-70.7	166.2	0	0	0	110.5	L15 Q18 F19 A22 F58 R64 T65 A66	L15-I62 HydrophobicContact CD1-CB 4.34Å; L15-I62 HydrophobicContact CD1-CG1 4.47Å; L15-I62 HydrophobicContact CD1-CG2 3.91Å; Q18-I62 HydrophobicContact CB-CG1 3.97Å; F19-I62 HydrophobicContact CD1-CD1 3.8Å; F19-I62 HydrophobicContact CE1-CD1 3.82Å; F19-I62 HydrophobicContact CE1-CG2 4Å; F19-I62 HydrophobicContact CE2-CG2 3.96Å; F19-I62 HydrophobicContact CG-CD1 4.31Å; F19-I62 HydrophobicContact CZ-CD1 4.34Å; F19-I62 HydrophobicContact CZ-CG2 3.51Å; A22-I62 HydrophobicContact CB-CD1 4.37Å; F58-I62 VanDerWaalsContact O-CB 3.32Å; F58-I62 WeakPolarHBondContact O-CB 3.43Å; F58-I62 WeakPolarHBondContact O-CD1 3.36Å; F58-I62 WeakPolarHBondContact O-CG1 3.46Å; F58-I62 PolarHBondContact O-N 3.48Å; I62-R64 VanDerWaalsContact C-N 3.33Å; I62-R64 PolarHBondContact O-N 2.92Å; I62-T65 PolarHBondContact O-N 3.16Å; I62-A66 VanDerWaalsContact O-CB 3.28Å; I62-A66 WeakPolarHBondContact O-CB 3.45Å; I62-A66 PolarHBondContact O-N 3.26Å
63	A	98.1	Very high	95.8	Very high	63 Å²	63	71 Å²	71	52%	0.521	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-40.6	-179.5	0	0	0	0	0	111.9	A59 L61 K67	A59-A63 WeakPolarHBondContact O-CB 3.38Å; A59-A63 PolarHBondContact O-N 3.37Å; L61-A63 PolarHBondContact O-N 2.92Å; A63-K67 WeakPolarHBondContact O-CB 3.34Å; A63-K67 PolarHBondContact O-N 3.45Å
64	R	97.4	Very high	95.9	Very high	172 Å²	172	70.5 Å²	70.5	65%	0.649	38%	0.384	S	S	*	.	H	α-helix	trans	-65.5	-49.9	176.1	-179.8	-178.3	170.7	-177.1	-0.1	111.4	A60 L61 I62 A66 K67 D68	A60-R64 VanDerWaalsContact O-CB 3.24Å; A60-R64 WeakPolarHBondContact O-CB 3.41Å; A60-R64 PolarHBondContact O-N 3.36Å; L61-R64 PolarHBondContact O-N 3.34Å; I62-R64 VanDerWaalsContact C-N 3.33Å; I62-R64 PolarHBondContact O-N 2.92Å; R64-A66 VanDerWaalsContact C-N 3.3Å; R64-A66 PolarHBondContact O-N 3.42Å; R64-K67 WeakPolarHBondContact O-CB 3.27Å; R64-K67 PolarHBondContact O-N 3.2Å; R64-D68 IonicContact NE-OD2 3.87Å; R64-D68 PolarHBondContact O-N 3.07Å
65	T	97.1	Very high	95.9	Very high	17 Å²	17	68.3 Å²	68.3	10%	0.104	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-37.6	-179.6	-61.8	0	0	0	0	111.5	L15 Q18 L61 I62 K67 D68 I69	L15-T65 HydrophobicContact CB-CG2 3.93Å; L15-T65 HydrophobicContact CD1-CG2 4.28Å; Q18-T65 PolarHBondContact NE2-OG1 2.98Å; Q18-T65 PolarHBondContact OE1-OG1 3.35Å; L61-T65 WeakPolarHBondContact O-CB 3.37Å; L61-T65 PolarHBondContact O-N 2.96Å; L61-T65 PolarHBondContact O-OG1 2.94Å; I62-T65 PolarHBondContact O-N 3.16Å; T65-K67 VanDerWaalsContact C-N 3.34Å; T65-K67 PolarHBondContact O-N 3.37Å; T65-D68 PolarHBondContact O-N 2.95Å; T65-I69 HydrophobicContact CG2-CD1 4.35Å; T65-I69 WeakPolarHBondContact O-CG1 3.49Å; T65-I69 PolarHBondContact O-N 3.39Å
66	A	97.9	Very high	95.7	Very high	36 Å²	36	69.2 Å²	69.2	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-61.4	-41.3	171.4	0	0	0	0	0	112.2	I62 R64 I69 D70	I62-A66 VanDerWaalsContact O-CB 3.28Å; I62-A66 WeakPolarHBondContact O-CB 3.45Å; I62-A66 PolarHBondContact O-N 3.26Å; R64-A66 VanDerWaalsContact C-N 3.3Å; R64-A66 PolarHBondContact O-N 3.42Å; A66-I69 WeakPolarHBondContact O-CB 3.49Å; A66-I69 PolarHBondContact O-N 2.87Å; A66-D70 PolarHBondContact O-N 2.93Å
67	K	97.9	Very high	95.1	Very high	109 Å²	109	68.6 Å²	68.6	47%	0.474	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-39	175.8	-169.8	68.8	-141.7	150.3	0	112.5	A63 R64 T65 I69 D70 V71	A63-K67 WeakPolarHBondContact O-CB 3.34Å; A63-K67 PolarHBondContact O-N 3.45Å; R64-K67 WeakPolarHBondContact O-CB 3.27Å; R64-K67 PolarHBondContact O-N 3.2Å; T65-K67 VanDerWaalsContact C-N 3.34Å; T65-K67 PolarHBondContact O-N 3.37Å; K67-I69 VanDerWaalsContact C-N 3.27Å; K67-I69 PolarHBondContact O-N 3.47Å; K67-D70 IonicContact NZ-OD2 2.96Å; K67-D70 PolarHBondContact NZ-OD2 2.96Å; K67-D70 WeakPolarHBondContact O-CB 3.28Å; K67-D70 PolarHBondContact O-N 3.3Å; K67-V71 WeakPolarHBondContact O-CG2 3.46Å; K67-V71 PolarHBondContact O-N 2.97Å; K67-V71 VanDerWaalsContact O-N 3.08Å
68	D	96.2	Very high	93.9	Very high	74 Å²	74	68.5 Å²	68.5	40%	0.396	40%	0.395	S	S	.	.	H	α-helix	trans	-62.9	-37.6	175.2	-68	-22.7	0	0	0	110.4	R64 T65 V71 L72	R64-D68 IonicContact NE-OD2 3.87Å; R64-D68 PolarHBondContact O-N 3.07Å; T65-D68 PolarHBondContact O-N 2.95Å; D68-V71 PolarHBondContact O-N 2.97Å; D68-L72 WeakPolarHBondContact O-CB 3.35Å; D68-L72 VanDerWaalsContact O-CG 3.3Å; D68-L72 WeakPolarHBondContact O-CG 3.39Å; D68-L72 PolarHBondContact O-N 3.44Å
69	I	97.4	Very high	92.2	Very high	18 Å²	18	76.8 Å²	76.8	9%	0.092	44%	0.435	C	S	.	.	H	α-helix	trans	-61.3	-47.3	172.1	-72.9	163.9	0	0	0	111.5	L8 A11 V12 L15 T65 A66 K67 V71 L72 I73	L8-I69 HydrophobicContact CD1-CB 4.48Å; L8-I69 HydrophobicContact CD1-CG1 4.49Å; L8-I69 HydrophobicContact CD1-CG2 3.87Å; A11-I69 HydrophobicContact CB-CD1 4.33Å; A11-I69 HydrophobicContact CB-CG1 3.68Å; V12-I69 HydrophobicContact CG2-CD1 4.03Å; V12-I69 HydrophobicContact CG2-CG1 4.45Å; L15-I69 HydrophobicContact CB-CD1 4.16Å; L15-I69 HydrophobicContact CD2-CD1 3.75Å; T65-I69 HydrophobicContact CG2-CD1 4.35Å; T65-I69 WeakPolarHBondContact O-CG1 3.49Å; T65-I69 PolarHBondContact O-N 3.39Å; A66-I69 WeakPolarHBondContact O-CB 3.49Å; A66-I69 PolarHBondContact O-N 2.87Å; K67-I69 VanDerWaalsContact C-N 3.27Å; K67-I69 PolarHBondContact O-N 3.47Å; I69-V71 VanDerWaalsContact C-N 3.31Å; I69-V71 PolarHBondContact O-N 2.73Å; I69-L72 WeakPolarHBondContact O-CB 3.35Å; I69-L72 PolarHBondContact O-N 3.01Å; I69-L72 VanDerWaalsContact O-N 3.15Å; I69-I73 HydrophobicContact CG2-CD1 3.8Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 2.88Å
70	D	96.8	Very high	90.3	Very high	74 Å²	74	82.1 Å²	82.1	40%	0.396	45%	0.45	S	S	.	.	H	α-helix	trans	-55.3	-48.4	176.1	-70.8	-19.2	0	0	0	111.2	A66 K67 L72 I73 D74	A66-D70 PolarHBondContact O-N 2.93Å; K67-D70 IonicContact NZ-OD2 2.96Å; K67-D70 PolarHBondContact NZ-OD2 2.96Å; K67-D70 WeakPolarHBondContact O-CB 3.28Å; K67-D70 PolarHBondContact O-N 3.3Å; D70-L72 VanDerWaalsContact C-N 3.28Å; D70-L72 PolarHBondContact O-N 3.41Å; D70-I73 WeakPolarHBondContact O-CB 2.98Å; D70-I73 PolarHBondContact O-N 2.85Å; D70-D74 PolarHBondContact O-N 3.43Å
71	V	95.3	Very high	88.5	Confident	80 Å²	80	81.1 Å²	81.1	49%	0.485	44%	0.439	S	S	.	.	H	α-helix	trans	-63.8	-36.6	-179.4	173.7	0	0	0	0	111	K67 D68 I69 S75	K67-V71 WeakPolarHBondContact O-CG2 3.46Å; K67-V71 PolarHBondContact O-N 2.97Å; K67-V71 VanDerWaalsContact O-N 3.08Å; D68-V71 PolarHBondContact O-N 2.97Å; I69-V71 VanDerWaalsContact C-N 3.31Å; I69-V71 PolarHBondContact O-N 2.73Å; V71-S75 WeakPolarHBondContact O-CB 3.36Å; V71-S75 PolarHBondContact O-N 2.88Å; V71-S75 PolarHBondContact O-OG 2.99Å
72	L	94.7	Very high	87.5	Confident	23 Å²	23	81.8 Å²	81.8	12%	0.12	45%	0.446	C	S	.	.	H	α-helix	trans	-64.9	-42.9	175	-76.3	171.5	0	0	0	111.5	Q7 L8 A11 D68 I69 D70 S75 L76	Q7-L72 HydrophobicContact CB-CD1 4.34Å; Q7-L72 HydrophobicContact CB-CD2 4.19Å; L8-L72 HydrophobicContact CD1-CB 4.15Å; A11-L72 HydrophobicContact CB-CD1 4.01Å; D68-L72 WeakPolarHBondContact O-CB 3.35Å; D68-L72 VanDerWaalsContact O-CG 3.3Å; D68-L72 WeakPolarHBondContact O-CG 3.39Å; D68-L72 PolarHBondContact O-N 3.44Å; I69-L72 WeakPolarHBondContact O-CB 3.35Å; I69-L72 PolarHBondContact O-N 3.01Å; I69-L72 VanDerWaalsContact O-N 3.15Å; D70-L72 VanDerWaalsContact C-N 3.28Å; D70-L72 PolarHBondContact O-N 3.41Å; L72-S75 WeakPolarHBondContact CA-OG 3.48Å; L72-S75 PolarHBondContact O-N 3.19Å; L72-S75 PolarHBondContact O-OG 3.07Å; L72-L76 PolarHBondContact O-N 2.97Å
73	I	93.3	Very high	86.6	Confident	84 Å²	84	84.2 Å²	84.2	43%	0.431	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-48.1	176.1	-67.9	166.6	0	0	0	110.4	L8 I69 D70 S75 L76	L8-I73 HydrophobicContact CD1-CG1 3.97Å; L8-I73 HydrophobicContact CD2-CG1 4.19Å; I69-I73 HydrophobicContact CG2-CD1 3.8Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 2.88Å; D70-I73 WeakPolarHBondContact O-CB 2.98Å; D70-I73 PolarHBondContact O-N 2.85Å; I73-S75 PolarHBondContact O-N 3.44Å; I73-L76 WeakPolarHBondContact O-CB 3.46Å; I73-L76 WeakPolarHBondContact O-CG 3.39Å; I73-L76 PolarHBondContact O-N 3.25Å
74	D	92.2	Very high	85.8	Confident	136 Å²	136	84.7 Å²	84.7	73%	0.727	48%	0.475	S	S	*	.	H	α-helix	trans	-63.1	-23.9	177.8	-71.2	-20.6	0	0	0	112.7	D70	D70-D74 PolarHBondContact O-N 3.43Å
75	S	91	Very high	85.1	Confident	50 Å²	50	81.2 Å²	81.2	35%	0.35	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.1	177.4	79.4	0	0	0	0	114.3	V71 L72 I73	V71-S75 WeakPolarHBondContact O-CB 3.36Å; V71-S75 PolarHBondContact O-N 2.88Å; V71-S75 PolarHBondContact O-OG 2.99Å; L72-S75 WeakPolarHBondContact CA-OG 3.48Å; L72-S75 PolarHBondContact O-N 3.19Å; L72-S75 PolarHBondContact O-OG 3.07Å; I73-S75 PolarHBondContact O-N 3.44Å
76	L	88.1	Confident	84.5	Confident	59 Å²	59	85.2 Å²	85.2	31%	0.309	49%	0.486	S	S	.	.	S	Bend	trans	-66.3	143.3	176.3	-66.9	176.7	0	0	0	109.9	R4 L8 L72 I73 S78	R4-L76 HydrophobicContact CB-CD2 3.84Å; L8-L76 HydrophobicContact CD2-CD1 4.31Å; L72-L76 PolarHBondContact O-N 2.97Å; I73-L76 WeakPolarHBondContact O-CB 3.46Å; I73-L76 WeakPolarHBondContact O-CG 3.39Å; I73-L76 PolarHBondContact O-N 3.25Å; L76-S78 PolarHBondContact O-N 3.01Å
77	P	82.8	Confident	84.1	Confident	113 Å²	113	85.4 Å²	85.4	73%	0.734	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-57.1	142.5	172.1	23.5	-31.1	0	0	0	110	E79	P77-E79 PolarHBondContact O-N 2.89Å
78	S	70.4	Confident	83.6	Confident	90 Å²	90	83 Å²	83	63%	0.629	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-58.3	131.4	-171	41.7	0	0	0	0	113.5	L76 E80 S81	L76-S78 PolarHBondContact O-N 3.01Å; S78-E80 PolarHBondContact O-N 2.96Å; S78-S81 PolarHBondContact O-N 3.48Å
79	E	60.1	Low	83.2	Confident	201 Å²	201	83 Å²	83	94%	0.939	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.4	175	-92.3	-172.5	145.5	0	0	113.7	P77 S81	P77-E79 PolarHBondContact O-N 2.89Å; E79-S81 PolarHBondContact O-N 2.78Å; E79-S81 VanDerWaalsContact O-N 3.17Å
80	E	56.2	Low	82.9	Confident	168 Å²	168	87 Å²	87	79%	0.785	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-7	-179.8	-144.1	175.9	-170.6	0	0	113.2	S78 T82	S78-E80 PolarHBondContact O-N 2.96Å; E80-T82 VanDerWaalsContact C-N 3.26Å; E80-T82 PolarHBondContact O-N 3.16Å
81	S	61.3	Low	82.8	Confident	40 Å²	40	91.5 Å²	91.5	28%	0.28	53%	0.527	S	S	.	.			trans	-76.3	77.9	174.5	-158.2	0	0	0	0	110.1	S78 E79 Q86	S78-S81 PolarHBondContact O-N 3.48Å; E79-S81 PolarHBondContact O-N 2.78Å; E79-S81 VanDerWaalsContact O-N 3.17Å; S81-Q86 PolarHBondContact O-NE2 3.02Å; S81-Q86 VanDerWaalsContact O-NE2 3.16Å; S81-Q86 WeakPolarHBondContact OG-CG 3.48Å; S81-Q86 PolarHBondContact OG-NE2 2.93Å
82	T	75.3	Confident	82.8	Confident	81 Å²	81	93.5 Å²	93.5	50%	0.497	53%	0.529	S	S	.	.			trans	-51.8	146.4	171.4	62.7	0	0	0	0	109.8	E80 A84 L85 Q86	E80-T82 VanDerWaalsContact C-N 3.26Å; E80-T82 PolarHBondContact O-N 3.16Å; T82-A84 PolarHBondContact O-N 3.12Å; T82-L85 PolarHBondContact O-N 3.19Å; T82-L85 WeakPolarHBondContact OG1-CG 3.46Å; T82-L85 PolarHBondContact OG1-N 3.24Å; T82-Q86 PolarHBondContact O-N 2.64Å
83	A	80	Confident	82.9	Confident	80 Å²	80	97.4 Å²	97.4	66%	0.661	55%	0.55	S	S	*	.	H	α-helix	trans	-52.1	-30.4	-179.9	0	0	0	0	0	112.8	A87	A83-A87 WeakPolarHBondContact O-CB 3.33Å; A83-A87 PolarHBondContact O-N 3.24Å
84	A	81.3	Confident	83	Confident	74 Å²	74	99.3 Å²	99.3	61%	0.612	56%	0.557	S	S	*	*	H	α-helix	trans	-67.5	-43.7	173.9	0	0	0	0	0	113.3	T82 Q86 A87 A88	T82-A84 PolarHBondContact O-N 3.12Å; A84-Q86 VanDerWaalsContact C-N 3.35Å; A84-A87 PolarHBondContact O-N 3.49Å; A84-A88 WeakPolarHBondContact O-CB 3.47Å; A84-A88 PolarHBondContact O-N 3.44Å
85	L	83	Confident	83.3	Confident	99 Å²	99	99.5 Å²	99.5	52%	0.518	55%	0.554	S	S	.	*	H	α-helix	trans	-67.9	-35.4	175.8	-71.6	172.4	0	0	0	111.9	T82 S89	T82-L85 PolarHBondContact O-N 3.19Å; T82-L85 WeakPolarHBondContact OG1-CG 3.46Å; T82-L85 PolarHBondContact OG1-N 3.24Å; L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-S89 PolarHBondContact O-N 3.42Å; L85-S89 PolarHBondContact O-OG 3.18Å
86	Q	84.3	Confident	83.6	Confident	101 Å²	101	101.5 Å²	101.5	47%	0.472	56%	0.557	S	S	.	*	H	α-helix	trans	-63.9	-48.2	173.1	-67.9	-177	-1.5	0	0	111.3	S81 T82 A84 A88 S89 L90	S81-Q86 PolarHBondContact O-NE2 3.02Å; S81-Q86 VanDerWaalsContact O-NE2 3.16Å; S81-Q86 WeakPolarHBondContact OG-CG 3.48Å; S81-Q86 PolarHBondContact OG-NE2 2.93Å; T82-Q86 PolarHBondContact O-N 2.64Å; A84-Q86 VanDerWaalsContact C-N 3.35Å; Q86-A88 VanDerWaalsContact C-N 3.35Å; Q86-A88 PolarHBondContact O-N 3.34Å; Q86-S89 PolarHBondContact O-N 3.36Å; Q86-L90 WeakPolarHBondContact O-CG 3.34Å; Q86-L90 PolarHBondContact O-N 2.97Å
87	A	87.7	Confident	84.1	Confident	40 Å²	40	104 Å²	104	33%	0.331	57%	0.571	S	S	.	*	H	α-helix	trans	-59.8	-44.6	177	0	0	0	0	0	111.8	A83 A84 S89 L90 Y91	A83-A87 WeakPolarHBondContact O-CB 3.33Å; A83-A87 PolarHBondContact O-N 3.24Å; A84-A87 PolarHBondContact O-N 3.49Å; A87-S89 VanDerWaalsContact C-N 3.31Å; A87-S89 PolarHBondContact O-N 2.79Å; A87-L90 PolarHBondContact O-N 3.17Å; A87-Y91 WeakPolarHBondContact O-CD2 3.5Å; A87-Y91 PolarHBondContact O-N 2.96Å
88	A	88.1	Confident	84.8	Confident	57 Å²	57	105 Å²	105	47%	0.471	57%	0.566	S	S	.	*	H	α-helix	trans	-61.7	-40.1	176.3	0	0	0	0	0	112.3	A84 Q86 Y91 K92	A84-A88 WeakPolarHBondContact O-CB 3.47Å; A84-A88 PolarHBondContact O-N 3.44Å; Q86-A88 VanDerWaalsContact C-N 3.35Å; Q86-A88 PolarHBondContact O-N 3.34Å; A88-Y91 PolarHBondContact O-N 3.46Å; A88-K92 WeakPolarHBondContact O-CB 3.41Å; A88-K92 PolarHBondContact O-N 3.4Å
89	S	88.6	Confident	86.1	Confident	75 Å²	75	107.4 Å²	107.4	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-67	-37.8	176.9	-59.8	0	0	0	0	111.8	L85 Q86 A87 L93	L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-S89 PolarHBondContact O-N 3.42Å; L85-S89 PolarHBondContact O-OG 3.18Å; Q86-S89 PolarHBondContact O-N 3.36Å; A87-S89 VanDerWaalsContact C-N 3.31Å; A87-S89 PolarHBondContact O-N 2.79Å; S89-L93 WeakPolarHBondContact O-CB 3.32Å; S89-L93 PolarHBondContact O-N 2.97Å
90	L	91.5	Very high	87.9	Confident	103 Å²	103	100.8 Å²	100.8	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-47.5	173.9	-75.8	172.6	0	0	0	111.8	Q86 A87 K92 L93 E94	Q86-L90 WeakPolarHBondContact O-CG 3.34Å; Q86-L90 PolarHBondContact O-N 2.97Å; A87-L90 PolarHBondContact O-N 3.17Å; L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 3.2Å; L90-L93 PolarHBondContact O-N 3.5Å; L90-L93 VanDerWaalsContact O-N 3.12Å; L90-E94 WeakPolarHBondContact O-CG 3.35Å; L90-E94 PolarHBondContact O-N 3.44Å
91	Y	94.4	Very high	89.9	Confident	167 Å²	167	94.5 Å²	94.5	66%	0.655	52%	0.523	S	S	*	.	H	α-helix	trans	-57.3	-44.5	176.4	-81.8	-61.9	0	0	0	112.2	A87 A88 L93 E94 E95	A87-Y91 WeakPolarHBondContact O-CD2 3.5Å; A87-Y91 PolarHBondContact O-N 2.96Å; A88-Y91 PolarHBondContact O-N 3.46Å; Y91-L93 VanDerWaalsContact C-N 3.33Å; Y91-L93 PolarHBondContact O-N 3.33Å; Y91-E94 PolarHBondContact O-N 2.94Å; Y91-E95 PolarHBondContact O-N 2.98Å
92	K	95.1	Very high	91.6	Very high	123 Å²	123	96 Å²	96	54%	0.535	53%	0.531	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.5	-174.7	174.8	-170.9	-75.5	0	111.8	A88 L90 E95 E96	A88-K92 WeakPolarHBondContact O-CB 3.41Å; A88-K92 PolarHBondContact O-N 3.4Å; L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 3.2Å; K92-E95 PolarHBondContact O-N 3.41Å; K92-E96 IonicContact NZ-OE1 2.64Å; K92-E96 PolarHBondContact NZ-OE1 2.91Å; K92-E96 WeakPolarHBondContact O-CB 3.48Å; K92-E96 WeakPolarHBondContact O-CG 3.48Å; K92-E96 PolarHBondContact O-N 3.35Å
93	L	95.8	Very high	92.7	Very high	105 Å²	105	96 Å²	96	55%	0.55	53%	0.533	S	S	.	.	H	α-helix	trans	-67.1	-38	178.5	-169.5	69	0	0	0	112	S89 L90 Y91 N97	S89-L93 WeakPolarHBondContact O-CB 3.32Å; S89-L93 PolarHBondContact O-N 2.97Å; L90-L93 PolarHBondContact O-N 3.5Å; L90-L93 VanDerWaalsContact O-N 3.12Å; Y91-L93 VanDerWaalsContact C-N 3.33Å; Y91-L93 PolarHBondContact O-N 3.33Å; L93-N97 VanDerWaalsContact O-CB 3.24Å; L93-N97 WeakPolarHBondContact O-CB 3.26Å; L93-N97 PolarHBondContact O-N 2.97Å
94	E	96.6	Very high	93.6	Very high	124 Å²	124	97.4 Å²	97.4	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-64.6	-42.1	174.6	-74.7	179.3	167.5	0	0	111.8	L90 Y91 N97 H98	L90-E94 WeakPolarHBondContact O-CG 3.35Å; L90-E94 PolarHBondContact O-N 3.44Å; Y91-E94 PolarHBondContact O-N 2.94Å; E94-N97 PolarHBondContact O-N 3.38Å; E94-H98 WeakPolarHBondContact O-CB 3.32Å; E94-H98 PolarHBondContact O-N 3.19Å
95	E	97.4	Very high	94.4	Very high	140 Å²	140	100.4 Å²	100.4	65%	0.654	53%	0.53	S	S	*	.	H	α-helix	trans	-62.7	-49.6	175.6	-175.6	175.3	-160.5	0	0	111.4	Y91 K92 N97 H98 E99	Y91-E95 PolarHBondContact O-N 2.98Å; K92-E95 PolarHBondContact O-N 3.41Å; E95-N97 VanDerWaalsContact C-N 3.28Å; E95-N97 PolarHBondContact O-N 3.04Å; E95-H98 PolarHBondContact O-N 3.38Å; E95-H98 VanDerWaalsContact O-N 3.16Å; E95-E99 PolarHBondContact O-N 3.28Å
96	E	97.7	Very high	95.1	Very high	91 Å²	91	98.9 Å²	98.9	43%	0.425	52%	0.523	S	S	.	.	H	α-helix	trans	-59.7	-38.8	176.1	-74.2	174.7	-171.3	0	0	111.9	K92 A100	K92-E96 IonicContact NZ-OE1 2.64Å; K92-E96 PolarHBondContact NZ-OE1 2.91Å; K92-E96 WeakPolarHBondContact O-CB 3.48Å; K92-E96 WeakPolarHBondContact O-CG 3.48Å; K92-E96 PolarHBondContact O-N 3.35Å; E96-A100 VanDerWaalsContact O-CB 3.28Å; E96-A100 WeakPolarHBondContact O-CB 3.47Å; E96-A100 PolarHBondContact O-N 3.03Å
97	N	97.9	Very high	95.7	Very high	113 Å²	113	98.2 Å²	98.2	60%	0.604	53%	0.526	S	S	*	.	H	α-helix	trans	-65.3	-43	176.3	-165.9	-68.6	0	0	0	111.4	L93 E94 E95 A100 A101	L93-N97 VanDerWaalsContact O-CB 3.24Å; L93-N97 WeakPolarHBondContact O-CB 3.26Å; L93-N97 PolarHBondContact O-N 2.97Å; E94-N97 PolarHBondContact O-N 3.38Å; E95-N97 VanDerWaalsContact C-N 3.28Å; E95-N97 PolarHBondContact O-N 3.04Å; N97-A100 PolarHBondContact O-N 2.91Å; N97-A101 WeakPolarHBondContact O-CB 3.32Å; N97-A101 PolarHBondContact O-N 2.94Å
98	H	97.8	Very high	96.2	Very high	134 Å²	134	99.9 Å²	99.9	62%	0.62	53%	0.531	S	S	*	.	H	α-helix	trans	-64.6	-42.4	178.6	-172.3	64.5	0	0	0	112.3	E94 E95 A101 T102	E94-H98 WeakPolarHBondContact O-CB 3.32Å; E94-H98 PolarHBondContact O-N 3.19Å; E95-H98 PolarHBondContact O-N 3.38Å; E95-H98 VanDerWaalsContact O-N 3.16Å; H98-A101 PolarHBondContact O-N 2.92Å; H98-T102 PolarHBondContact O-N 3.15Å; H98-T102 PolarHBondContact O-OG1 3.32Å
99	E	98.1	Very high	96.7	Very high	140 Å²	140	104.1 Å²	104.1	65%	0.654	54%	0.536	S	S	*	.	H	α-helix	trans	-63.9	-45.4	175.2	-171.9	177.8	-167.2	0	0	111.2	E95 A101 T102 C103	E95-E99 PolarHBondContact O-N 3.28Å; E99-A101 VanDerWaalsContact C-N 3.33Å; E99-A101 PolarHBondContact O-N 2.72Å; E99-T102 PolarHBondContact O-N 3.44Å; E99-C103 WeakPolarHBondContact O-CB 3.48Å; E99-C103 PolarHBondContact O-N 3.19Å
100	A	97.8	Very high	97.2	Very high	61 Å²	61	108 Å²	108	50%	0.504	54%	0.54	S	S	.	.	H	α-helix	trans	-61.2	-40.3	176.4	0	0	0	0	0	112.3	E96 N97 C103 L104	E96-A100 VanDerWaalsContact O-CB 3.28Å; E96-A100 WeakPolarHBondContact O-CB 3.47Å; E96-A100 PolarHBondContact O-N 3.03Å; N97-A100 PolarHBondContact O-N 2.91Å; A100-C103 PolarHBondContact O-N 3.17Å; A100-L104 WeakPolarHBondContact O-CB 3.47Å; A100-L104 PolarHBondContact O-N 3.38Å
101	A	98.1	Very high	97.5	Very high	37 Å²	37	104.9 Å²	104.9	31%	0.306	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-44	175.8	0	0	0	0	0	111.8	N97 H98 E99 C103 L104 E105	N97-A101 WeakPolarHBondContact O-CB 3.32Å; N97-A101 PolarHBondContact O-N 2.94Å; H98-A101 PolarHBondContact O-N 2.92Å; E99-A101 VanDerWaalsContact C-N 3.33Å; E99-A101 PolarHBondContact O-N 2.72Å; A101-C103 VanDerWaalsContact C-N 3.35Å; A101-C103 PolarHBondContact O-N 3.04Å; A101-L104 WeakPolarHBondContact O-CB 3.49Å; A101-L104 PolarHBondContact O-N 2.91Å; A101-E105 WeakPolarHBondContact O-CG 3.31Å; A101-E105 PolarHBondContact O-N 3.46Å
102	T	98	Very high	97.7	Very high	71 Å²	71	101.6 Å²	101.6	44%	0.436	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-43.4	177.2	-55.9	0	0	0	0	111.4	H98 E99 L104 E105 D106	H98-T102 PolarHBondContact O-N 3.15Å; H98-T102 PolarHBondContact O-OG1 3.32Å; E99-T102 PolarHBondContact O-N 3.44Å; T102-L104 VanDerWaalsContact C-N 3.32Å; T102-L104 PolarHBondContact O-N 3.02Å; T102-E105 PolarHBondContact O-N 2.89Å; T102-D106 PolarHBondContact O-N 3.14Å; T102-D106 VanDerWaalsContact O-N 3.12Å
103	C	97.6	Very high	97.8	Very high	80 Å²	80	99.3 Å²	99.3	54%	0.541	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-42.3	175.4	-174.8	0	0	0	0	111.3	E99 A100 A101 D106 V107	E99-C103 WeakPolarHBondContact O-CB 3.48Å; E99-C103 PolarHBondContact O-N 3.19Å; A100-C103 PolarHBondContact O-N 3.17Å; A101-C103 VanDerWaalsContact C-N 3.35Å; A101-C103 PolarHBondContact O-N 3.04Å; C103-D106 PolarHBondContact O-N 3.3Å; C103-V107 WeakPolarHBondContact O-CG2 3.3Å; C103-V107 PolarHBondContact O-N 3.28Å
104	L	97.9	Very high	97.9	Very high	110 Å²	110	99.3 Å²	99.3	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-61.2	-43.9	175.7	180	62.7	0	0	0	111.6	A100 A101 T102 D106 V107 V108	A100-L104 WeakPolarHBondContact O-CB 3.47Å; A100-L104 PolarHBondContact O-N 3.38Å; A101-L104 WeakPolarHBondContact O-CB 3.49Å; A101-L104 PolarHBondContact O-N 2.91Å; T102-L104 VanDerWaalsContact C-N 3.32Å; T102-L104 PolarHBondContact O-N 3.02Å; L104-D106 PolarHBondContact O-N 3.01Å; L104-V107 PolarHBondContact O-N 3.41Å; L104-V108 HydrophobicContact CD1-CG2 4.13Å; L104-V108 HydrophobicContact CG-CG2 4.36Å; L104-V108 WeakPolarHBondContact O-CB 3.28Å; L104-V108 VanDerWaalsContact O-CG2 3.27Å; L104-V108 WeakPolarHBondContact O-CG2 3.46Å; L104-V108 PolarHBondContact O-N 3.02Å
105	E	98.2	Very high	98	Very high	137 Å²	137	97.6 Å²	97.6	64%	0.64	51%	0.512	S	S	*	.	H	α-helix	trans	-59.8	-44.6	177.3	-75.9	179.2	-175.6	0	0	112.4	A101 T102 V107 V108 Y109	A101-E105 WeakPolarHBondContact O-CG 3.31Å; A101-E105 PolarHBondContact O-N 3.46Å; T102-E105 PolarHBondContact O-N 2.89Å; E105-V107 PolarHBondContact O-N 3.49Å; E105-V108 PolarHBondContact O-N 3.34Å; E105-Y109 VanDerWaalsContact O-CB 3.31Å; E105-Y109 WeakPolarHBondContact O-CB 3.25Å; E105-Y109 PolarHBondContact O-N 3.38Å
106	D	98.1	Very high	98	Very high	67 Å²	67	97.4 Å²	97.4	36%	0.358	51%	0.511	S	S	.	.	H	α-helix	trans	-63.6	-42.2	177	179.3	49	0	0	0	111.7	T102 C103 L104 Y109 R110	T102-D106 PolarHBondContact O-N 3.14Å; T102-D106 VanDerWaalsContact O-N 3.12Å; C103-D106 PolarHBondContact O-N 3.3Å; L104-D106 PolarHBondContact O-N 3.01Å; D106-Y109 PolarHBondContact O-N 3.29Å; D106-R110 VanDerWaalsContact CG-NE 3.31Å; D106-R110 WeakPolarHBondContact O-CB 3.24Å; D106-R110 VanDerWaalsContact O-CG 3.25Å; D106-R110 WeakPolarHBondContact O-CG 3.45Å; D106-R110 PolarHBondContact O-N 3.08Å; D106-R110 IonicContact OD1-CZ 3.61Å; D106-R110 IonicContact OD1-NE 2.95Å; D106-R110 PolarHBondContact OD1-NE 3.46Å; D106-R110 IonicContact OD1-NH2 3.39Å; D106-R110 PolarHBondContact OD1-NH2 3.04Å; D106-R110 IonicContact OD2-CZ 3.07Å; D106-R110 IonicContact OD2-NE 3.01Å; D106-R110 PolarHBondContact OD2-NE 3.31Å; D106-R110 IonicContact OD2-NH2 2.73Å; D106-R110 PolarHBondContact OD2-NH2 2.95Å
107	V	98.3	Very high	98	Very high	88 Å²	88	99.6 Å²	99.6	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-43.8	177.3	172.4	0	0	0	0	111.3	C103 L104 E105 R110 G111	C103-V107 WeakPolarHBondContact O-CG2 3.3Å; C103-V107 PolarHBondContact O-N 3.28Å; L104-V107 PolarHBondContact O-N 3.41Å; E105-V107 PolarHBondContact O-N 3.49Å; V107-R110 PolarHBondContact O-N 3.4Å; V107-G111 PolarHBondContact O-N 2.95Å
108	V	98.3	Very high	98	Very high	75 Å²	75	98.2 Å²	98.2	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-47.5	176.9	169.6	0	0	0	0	110.4	L104 E105 R110 G111 D112	L104-V108 HydrophobicContact CD1-CG2 4.13Å; L104-V108 HydrophobicContact CG-CG2 4.36Å; L104-V108 WeakPolarHBondContact O-CB 3.28Å; L104-V108 VanDerWaalsContact O-CG2 3.27Å; L104-V108 WeakPolarHBondContact O-CG2 3.46Å; L104-V108 PolarHBondContact O-N 3.02Å; E105-V108 PolarHBondContact O-N 3.34Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 2.87Å; V108-G111 CarbonylContact O-C 3.57Å; V108-G111 WeakPolarHBondContact O-CA 3.42Å; V108-G111 PolarHBondContact O-N 3.32Å; V108-D112 PolarHBondContact O-N 3.43Å
109	Y	98.3	Very high	98	Very high	146 Å²	146	97.3 Å²	97.3	57%	0.573	51%	0.507	S	S	*	.	H	α-helix	trans	-57.5	-46	178.4	176.5	-100.2	0	0	0	112.2	E105 D106 G111 D112 M113	E105-Y109 VanDerWaalsContact O-CB 3.31Å; E105-Y109 WeakPolarHBondContact O-CB 3.25Å; E105-Y109 PolarHBondContact O-N 3.38Å; D106-Y109 PolarHBondContact O-N 3.29Å; Y109-G111 VanDerWaalsContact C-N 3.3Å; Y109-G111 PolarHBondContact O-N 3.49Å; Y109-D112 PolarHBondContact O-N 3.05Å; Y109-M113 HydrophobicContact CD1-SD 4.37Å; Y109-M113 HydrophobicContact CE1-CG 4.08Å; Y109-M113 HydrophobicContact CE1-SD 3.52Å; Y109-M113 VanDerWaalsContact CE1-SD 3.52Å; Y109-M113 HydrophobicContact CE2-CG 4.48Å; Y109-M113 WeakPolarHBondContact O-CG 3.24Å; Y109-M113 PolarHBondContact O-N 3.26Å
110	R	98	Very high	98	Very high	157 Å²	157	93.8 Å²	93.8	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-63.7	-37.4	175.3	-69.6	173.3	-169.6	-155.9	9.2	112	D106 V107 V108 L114	D106-R110 VanDerWaalsContact CG-NE 3.31Å; D106-R110 WeakPolarHBondContact O-CB 3.24Å; D106-R110 VanDerWaalsContact O-CG 3.25Å; D106-R110 WeakPolarHBondContact O-CG 3.45Å; D106-R110 PolarHBondContact O-N 3.08Å; D106-R110 IonicContact OD1-CZ 3.61Å; D106-R110 IonicContact OD1-NE 2.95Å; D106-R110 PolarHBondContact OD1-NE 3.46Å; D106-R110 IonicContact OD1-NH2 3.39Å; D106-R110 PolarHBondContact OD1-NH2 3.04Å; D106-R110 IonicContact OD2-CZ 3.07Å; D106-R110 IonicContact OD2-NE 3.01Å; D106-R110 PolarHBondContact OD2-NE 3.31Å; D106-R110 IonicContact OD2-NH2 2.73Å; D106-R110 PolarHBondContact OD2-NH2 2.95Å; V107-R110 PolarHBondContact O-N 3.4Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 2.87Å; R110-L114 WeakPolarHBondContact O-CB 3.32Å; R110-L114 PolarHBondContact O-N 3.4Å; R110-L114 VanDerWaalsContact O-N 3.08Å
111	G	98.3	Very high	97.9	Very high	37 Å²	37	93.2 Å²	93.2	38%	0.381	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-48	174.3	0	0	0	0	0	112.2	V107 V108 Y109 L114 L115	V107-G111 PolarHBondContact O-N 2.95Å; V108-G111 CarbonylContact O-C 3.57Å; V108-G111 WeakPolarHBondContact O-CA 3.42Å; V108-G111 PolarHBondContact O-N 3.32Å; Y109-G111 VanDerWaalsContact C-N 3.3Å; Y109-G111 PolarHBondContact O-N 3.49Å; G111-L114 PolarHBondContact O-N 2.85Å; G111-L115 WeakPolarHBondContact O-CB 3.28Å; G111-L115 PolarHBondContact O-N 3.01Å
112	D	98	Very high	97.9	Very high	97 Å²	97	96.5 Å²	96.5	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-44.1	179.3	-73.5	-19.6	0	0	0	111.8	V108 Y109 L114 L115 E116	V108-D112 PolarHBondContact O-N 3.43Å; Y109-D112 PolarHBondContact O-N 3.05Å; D112-L114 VanDerWaalsContact C-N 3.27Å; D112-L114 PolarHBondContact O-N 3.06Å; D112-L115 WeakPolarHBondContact O-CB 3.17Å; D112-L115 PolarHBondContact O-N 3.48Å; D112-E116 PolarHBondContact O-N 3.38Å
113	M	97.9	Very high	97.8	Very high	75 Å²	75	95.3 Å²	95.3	37%	0.369	50%	0.502	S	S	.	.	H	α-helix	trans	-59.3	-38.5	174.7	-75.8	-159.7	74.4	0	0	112.7	Y109 K117	Y109-M113 HydrophobicContact CD1-SD 4.37Å; Y109-M113 HydrophobicContact CE1-CG 4.08Å; Y109-M113 HydrophobicContact CE1-SD 3.52Å; Y109-M113 VanDerWaalsContact CE1-SD 3.52Å; Y109-M113 HydrophobicContact CE2-CG 4.48Å; Y109-M113 WeakPolarHBondContact O-CG 3.24Å; Y109-M113 PolarHBondContact O-N 3.26Å; M113-K117 WeakPolarHBondContact O-CG 3.49Å; M113-K117 PolarHBondContact O-N 3.47Å
114	L	98	Very high	97.8	Very high	106 Å²	106	95.7 Å²	95.7	56%	0.555	50%	0.499	S	S	*	.	H	α-helix	trans	-69.8	-41.7	177.3	-178.5	61.4	0	0	0	110.8	R110 G111 D112 E116 K117 I118	R110-L114 WeakPolarHBondContact O-CB 3.32Å; R110-L114 PolarHBondContact O-N 3.4Å; R110-L114 VanDerWaalsContact O-N 3.08Å; G111-L114 PolarHBondContact O-N 2.85Å; D112-L114 VanDerWaalsContact C-N 3.27Å; D112-L114 PolarHBondContact O-N 3.06Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-E116 PolarHBondContact O-N 2.92Å; L114-K117 PolarHBondContact O-N 3.44Å; L114-I118 HydrophobicContact CD1-CD1 4.43Å; L114-I118 HydrophobicContact CG-CD1 4.1Å; L114-I118 WeakPolarHBondContact O-CG1 3.16Å; L114-I118 PolarHBondContact O-N 3.27Å
115	L	98	Very high	97.7	Very high	88 Å²	88	95 Å²	95	46%	0.461	50%	0.495	S	S	.	.	H	α-helix	trans	-60.3	-44.9	177.3	-177	64.2	0	0	0	111.4	G111 D112 K117 I118 Q119	G111-L115 WeakPolarHBondContact O-CB 3.28Å; G111-L115 PolarHBondContact O-N 3.01Å; D112-L115 WeakPolarHBondContact O-CB 3.17Å; D112-L115 PolarHBondContact O-N 3.48Å; L115-K117 VanDerWaalsContact C-N 3.35Å; L115-K117 PolarHBondContact O-N 3.35Å; L115-I118 PolarHBondContact O-N 2.99Å; L115-Q119 WeakPolarHBondContact O-CG 3.45Å; L115-Q119 PolarHBondContact O-N 2.98Å
116	E	98.1	Very high	97.5	Very high	135 Å²	135	91 Å²	91	63%	0.631	49%	0.485	S	S	*	.	H	α-helix	trans	-60.2	-43.5	177.8	-171.3	178.2	-163.2	0	0	111.7	D112 L114 I118 Q119 S120	D112-E116 PolarHBondContact O-N 3.38Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-E116 PolarHBondContact O-N 2.92Å; E116-I118 VanDerWaalsContact C-N 3.35Å; E116-I118 PolarHBondContact O-N 3.37Å; E116-Q119 PolarHBondContact O-N 2.87Å; E116-S120 PolarHBondContact O-N 3.29Å
117	K	97.9	Very high	97.3	Very high	137 Å²	137	92.9 Å²	92.9	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-61.4	-42.4	175.5	-72.7	173.5	-177.5	175.2	0	112.3	M113 L114 L115 S120 A121	M113-K117 WeakPolarHBondContact O-CG 3.49Å; M113-K117 PolarHBondContact O-N 3.47Å; L114-K117 PolarHBondContact O-N 3.44Å; L115-K117 VanDerWaalsContact C-N 3.35Å; L115-K117 PolarHBondContact O-N 3.35Å; K117-S120 PolarHBondContact O-N 3.06Å; K117-A121 WeakPolarHBondContact O-CB 3.21Å; K117-A121 PolarHBondContact O-N 3.48Å
118	I	97.8	Very high	97.1	Very high	85 Å²	85	92 Å²	92	44%	0.436	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-44.7	177	-68.6	168.4	0	0	0	110.1	L114 L115 E116 S120 A121 L122	L114-I118 HydrophobicContact CD1-CD1 4.43Å; L114-I118 HydrophobicContact CG-CD1 4.1Å; L114-I118 WeakPolarHBondContact O-CG1 3.16Å; L114-I118 PolarHBondContact O-N 3.27Å; L115-I118 PolarHBondContact O-N 2.99Å; E116-I118 VanDerWaalsContact C-N 3.35Å; E116-I118 PolarHBondContact O-N 3.37Å; I118-S120 PolarHBondContact O-N 2.95Å; I118-A121 PolarHBondContact O-N 2.94Å; I118-L122 HydrophobicContact CG2-CD1 3.85Å; I118-L122 HydrophobicContact CG2-CG 4.38Å; I118-L122 WeakPolarHBondContact O-CB 3.42Å; I118-L122 WeakPolarHBondContact O-CG 3.37Å; I118-L122 PolarHBondContact O-N 3.18Å
119	Q	97.2	Very high	96.8	Very high	115 Å²	115	94.5 Å²	94.5	54%	0.537	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-43	177.8	-72.7	178.7	7.4	0	0	111.9	L115 E116 L122 A123	L115-Q119 WeakPolarHBondContact O-CG 3.45Å; L115-Q119 PolarHBondContact O-N 2.98Å; E116-Q119 PolarHBondContact O-N 2.87Å; Q119-L122 PolarHBondContact O-N 2.93Å; Q119-A123 WeakPolarHBondContact O-CB 3.49Å; Q119-A123 PolarHBondContact O-N 2.87Å
120	S	97.4	Very high	96.5	Very high	66 Å²	66	93.2 Å²	93.2	46%	0.462	50%	0.499	S	S	.	.	H	α-helix	trans	-61.1	-47.8	175.4	-170	0	0	0	0	111.6	E116 K117 I118 L122 A123 D124	E116-S120 PolarHBondContact O-N 3.29Å; K117-S120 PolarHBondContact O-N 3.06Å; I118-S120 PolarHBondContact O-N 2.95Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 2.96Å; S120-A123 WeakPolarHBondContact O-CB 3.37Å; S120-A123 PolarHBondContact O-N 2.89Å; S120-D124 PolarHBondContact O-N 3.44Å
121	A	97.6	Very high	96.1	Very high	48 Å²	48	92.3 Å²	92.3	40%	0.397	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-40.1	178.8	0	0	0	0	0	112.1	K117 I118 D124 I125	K117-A121 WeakPolarHBondContact O-CB 3.21Å; K117-A121 PolarHBondContact O-N 3.48Å; I118-A121 PolarHBondContact O-N 2.94Å; A121-D124 PolarHBondContact O-N 2.95Å; A121-I125 WeakPolarHBondContact O-CD1 3.17Å; A121-I125 VanDerWaalsContact O-CG1 3.24Å; A121-I125 WeakPolarHBondContact O-CG1 3.48Å; A121-I125 PolarHBondContact O-N 3.28Å
122	L	97.1	Very high	95.4	Very high	107 Å²	107	94.6 Å²	94.6	56%	0.56	51%	0.506	S	S	*	.	H	α-helix	trans	-64.1	-40.4	174.8	-74.8	170	0	0	0	111.9	I118 Q119 S120 I125 A126	I118-L122 HydrophobicContact CG2-CD1 3.85Å; I118-L122 HydrophobicContact CG2-CG 4.38Å; I118-L122 WeakPolarHBondContact O-CB 3.42Å; I118-L122 WeakPolarHBondContact O-CG 3.37Å; I118-L122 PolarHBondContact O-N 3.18Å; Q119-L122 PolarHBondContact O-N 2.93Å; S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 2.96Å; L122-I125 PolarHBondContact O-N 3.44Å; L122-A126 WeakPolarHBondContact O-CB 3.24Å; L122-A126 PolarHBondContact O-N 3.32Å
123	A	96.4	Very high	94.4	Very high	45 Å²	45	99.3 Å²	99.3	37%	0.372	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-43	175.9	0	0	0	0	0	111.7	Q119 S120 I125 A126 Q127	Q119-A123 WeakPolarHBondContact O-CB 3.49Å; Q119-A123 PolarHBondContact O-N 2.87Å; S120-A123 WeakPolarHBondContact O-CB 3.37Å; S120-A123 PolarHBondContact O-N 2.89Å; A123-I125 PolarHBondContact O-N 2.92Å; A123-A126 PolarHBondContact O-N 3.01Å; A123-Q127 WeakPolarHBondContact O-CB 3.4Å; A123-Q127 WeakPolarHBondContact O-CG 3.43Å; A123-Q127 PolarHBondContact O-N 3.38Å
124	D	96.7	Very high	93.1	Very high	89 Å²	89	98.9 Å²	98.9	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-41.3	177.1	-70.9	-23.3	0	0	0	112.1	S120 A121 S128	S120-D124 PolarHBondContact O-N 3.44Å; A121-D124 PolarHBondContact O-N 2.95Å; D124-S128 VanDerWaalsContact O-CB 3.29Å; D124-S128 WeakPolarHBondContact O-CB 3.47Å; D124-S128 PolarHBondContact O-N 3.26Å; D124-S128 PolarHBondContact O-OG 2.9Å
125	I	96.1	Very high	91.3	Very high	96 Å²	96	95.5 Å²	95.5	49%	0.492	51%	0.511	S	S	.	.	H	α-helix	trans	-61.6	-49.9	173.7	-68.6	164.8	0	0	0	109.8	A121 L122 A123 Q127 S128 Q129	A121-I125 WeakPolarHBondContact O-CD1 3.17Å; A121-I125 VanDerWaalsContact O-CG1 3.24Å; A121-I125 WeakPolarHBondContact O-CG1 3.48Å; A121-I125 PolarHBondContact O-N 3.28Å; L122-I125 PolarHBondContact O-N 3.44Å; A123-I125 PolarHBondContact O-N 2.92Å; I125-Q127 VanDerWaalsContact C-N 3.35Å; I125-Q127 PolarHBondContact O-N 3Å; I125-S128 PolarHBondContact O-N 3.44Å; I125-Q129 HydrophobicContact CG2-CG 4.32Å; I125-Q129 VanDerWaalsContact O-CG 3.23Å; I125-Q129 WeakPolarHBondContact O-CG 3.32Å; I125-Q129 PolarHBondContact O-N 3.38Å
126	A	95.1	Very high	89.3	Confident	53 Å²	53	95.9 Å²	95.9	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-59.6	-44	-179.6	0	0	0	0	0	112	L122 A123 Q129 L130	L122-A126 WeakPolarHBondContact O-CB 3.24Å; L122-A126 PolarHBondContact O-N 3.32Å; A123-A126 PolarHBondContact O-N 3.01Å; A126-Q129 PolarHBondContact O-N 2.74Å; A126-L130 WeakPolarHBondContact O-CG 3.21Å; A126-L130 PolarHBondContact O-N 2.97Å
127	Q	93.5	Very high	87.2	Confident	106 Å²	106	96.4 Å²	96.4	50%	0.495	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-41	176.2	-72.5	-174.2	16.1	0	0	112.6	A123 I125 Q129 L130 K131	A123-Q127 WeakPolarHBondContact O-CB 3.4Å; A123-Q127 WeakPolarHBondContact O-CG 3.43Å; A123-Q127 PolarHBondContact O-N 3.38Å; I125-Q127 VanDerWaalsContact C-N 3.35Å; I125-Q127 PolarHBondContact O-N 3Å; Q127-Q129 VanDerWaalsContact C-N 3.34Å; Q127-L130 PolarHBondContact O-N 3.49Å; Q127-K131 WeakPolarHBondContact O-CG 3.2Å; Q127-K131 PolarHBondContact O-N 2.96Å
128	S	93.4	Very high	85.1	Confident	69 Å²	69	94.7 Å²	94.7	48%	0.483	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-41.6	178	-63.2	0	0	0	0	111.4	D124 I125 K131 T132	D124-S128 VanDerWaalsContact O-CB 3.29Å; D124-S128 WeakPolarHBondContact O-CB 3.47Å; D124-S128 PolarHBondContact O-N 3.26Å; D124-S128 PolarHBondContact O-OG 2.9Å; I125-S128 PolarHBondContact O-N 3.44Å; S128-K131 PolarHBondContact O-N 3.49Å; S128-T132 PolarHBondContact O-N 3.48Å; S128-T132 PolarHBondContact O-OG1 3.31Å
129	Q	93.3	Very high	82.8	Confident	128 Å²	128	98.9 Å²	98.9	60%	0.598	54%	0.542	S	S	*	.	H	α-helix	trans	-65.6	-38.5	176	-66.6	-71.3	8.5	0	0	112.7	I125 A126 Q127 T132 R133	I125-Q129 HydrophobicContact CG2-CG 4.32Å; I125-Q129 VanDerWaalsContact O-CG 3.23Å; I125-Q129 WeakPolarHBondContact O-CG 3.32Å; I125-Q129 PolarHBondContact O-N 3.38Å; A126-Q129 PolarHBondContact O-N 2.74Å; Q127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-T132 WeakPolarHBondContact CA-OG1 3.07Å; Q129-T132 PolarHBondContact O-OG1 3.26Å; Q129-T132 VanDerWaalsContact O-OG1 3.08Å; Q129-R133 WeakPolarHBondContact O-CB 3.41Å; Q129-R133 PolarHBondContact O-N 2.88Å
130	L	91	Very high	80.5	Confident	119 Å²	119	97 Å²	97	62%	0.623	54%	0.542	S	S	*	.	H	α-helix	trans	-64.5	-44.5	173.9	-73.9	171	0	0	0	111.4	A126 Q127 R133 S134	A126-L130 WeakPolarHBondContact O-CG 3.21Å; A126-L130 PolarHBondContact O-N 2.97Å; Q127-L130 PolarHBondContact O-N 3.49Å; L130-R133 PolarHBondContact O-N 3.37Å; L130-S134 PolarHBondContact O-N 2.97Å; L130-S134 PolarHBondContact O-OG 3.16Å; L130-S134 VanDerWaalsContact O-OG 3.09Å
131	K	88.9	Confident	78.5	Confident	137 Å²	137	101.5 Å²	101.5	60%	0.596	56%	0.56	S	S	*	*	H	α-helix	trans	-62.4	-45.4	179.3	-76.7	174	-178.3	170.6	0	112.8	Q127 S128 R133 S134 G135	Q127-K131 WeakPolarHBondContact O-CG 3.2Å; Q127-K131 PolarHBondContact O-N 2.96Å; S128-K131 PolarHBondContact O-N 3.49Å; K131-R133 VanDerWaalsContact C-N 3.31Å; K131-R133 PolarHBondContact O-N 3.37Å; K131-S134 WeakPolarHBondContact CA-OG 3.38Å; K131-S134 PolarHBondContact O-N 2.99Å; K131-S134 PolarHBondContact O-OG 2.97Å; K131-G135 PolarHBondContact O-N 2.91Å
132	T	84.9	Confident	76.4	Confident	86 Å²	86	104.7 Å²	104.7	53%	0.528	58%	0.577	S	S	.	*	H	α-helix	trans	-63.2	-37.2	175.7	36.7	0	0	0	0	111.9	S128 Q129 T136	S128-T132 PolarHBondContact O-N 3.48Å; S128-T132 PolarHBondContact O-OG1 3.31Å; Q129-T132 WeakPolarHBondContact CA-OG1 3.07Å; Q129-T132 PolarHBondContact O-OG1 3.26Å; Q129-T132 VanDerWaalsContact O-OG1 3.08Å; T132-T136 WeakPolarHBondContact O-CG2 3.25Å; T132-T136 PolarHBondContact O-N 3.22Å; T132-T136 VanDerWaalsContact O-N 3.14Å; T132-T136 PolarHBondContact O-OG1 3Å
133	R	75.6	Confident	74.1	Confident	196 Å²	196	107.2 Å²	107.2	74%	0.74	59%	0.591	S	S	*	*	H	α-helix	trans	-71.7	-33.4	176.8	-165.9	170.1	175.8	-102.3	-0.8	113.5	Q129 L130 K131 T136	Q129-R133 WeakPolarHBondContact O-CB 3.41Å; Q129-R133 PolarHBondContact O-N 2.88Å; L130-R133 PolarHBondContact O-N 3.37Å; K131-R133 VanDerWaalsContact C-N 3.31Å; K131-R133 PolarHBondContact O-N 3.37Å; R133-T136 WeakPolarHBondContact CA-OG1 3.33Å; R133-T136 PolarHBondContact O-OG1 2.65Å; R133-T136 VanDerWaalsContact O-OG1 3.09Å
134	S	72.4	Confident	71.5	Confident	66 Å²	66	114.2 Å²	114.2	46%	0.462	64%	0.637	S	S	.	*	H	α-helix	trans	-76.1	-35.2	172.8	52.6	0	0	0	0	113.2	L130 K131 H137 S138	L130-S134 PolarHBondContact O-N 2.97Å; L130-S134 PolarHBondContact O-OG 3.16Å; L130-S134 VanDerWaalsContact O-OG 3.09Å; K131-S134 WeakPolarHBondContact CA-OG 3.38Å; K131-S134 PolarHBondContact O-N 2.99Å; K131-S134 PolarHBondContact O-OG 2.97Å; S134-H137 PolarHBondContact O-N 3.02Å; S134-S138 PolarHBondContact O-N 3.04Å; S134-S138 PolarHBondContact O-OG 3.34Å
135	G	59.6	Low	70.3	Confident	35 Å²	35	115.5 Å²	115.5	36%	0.361	65%	0.645	S	S	.	*	H	α-helix	trans	-68.2	-36.3	177.8	0	0	0	0	0	113.2	K131 S138	K131-G135 PolarHBondContact O-N 2.91Å; G135-S138 PolarHBondContact O-N 2.85Å
136	T	55.6	Low	68.9	Low	95 Å²	95	116.5 Å²	116.5	58%	0.583	65%	0.653	S	S	*	*	H	α-helix	trans	-69.1	-28.8	174.6	40.5	0	0	0	0	113.5	T132 R133 S138	T132-T136 WeakPolarHBondContact O-CG2 3.25Å; T132-T136 PolarHBondContact O-N 3.22Å; T132-T136 VanDerWaalsContact O-N 3.14Å; T132-T136 PolarHBondContact O-OG1 3Å; R133-T136 WeakPolarHBondContact CA-OG1 3.33Å; R133-T136 PolarHBondContact O-OG1 2.65Å; R133-T136 VanDerWaalsContact O-OG1 3.09Å; T136-S138 VanDerWaalsContact C-N 3.35Å
137	H	53.8	Low	67.5	Low	147 Å²	147	120.1 Å²	120.1	68%	0.681	67%	0.665	S	S	*	*	H	α-helix	trans	-76	-22.4	175.1	-161.2	57	0	0	0	113.3	S134 S140	S134-H137 PolarHBondContact O-N 3.02Å; H137-S140 PolarHBondContact O-OG 3.49Å
138	S	53.2	Low	65.9	Low	101 Å²	101	120.9 Å²	120.9	71%	0.706	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-13.2	-179.5	-50.6	0	0	0	0	113.3	S134 G135 T136	S134-S138 PolarHBondContact O-N 3.04Å; S134-S138 PolarHBondContact O-OG 3.34Å; G135-S138 PolarHBondContact O-N 2.85Å; T136-S138 VanDerWaalsContact C-N 3.35Å
139	Q	50.7	Low	64.2	Low	172 Å²	172	124.1 Å²	124.1	80%	0.804	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-0.5	-179.4	-85.4	-177.3	-31.2	0	0	114.4
140	S	49.2	Very low	62.3	Low	76 Å²	76	123.9 Å²	123.9	53%	0.531	69%	0.693	S	S	.	*			trans	-98	17.2	-176.8	65.3	0	0	0	0	115.5	H137 P142	H137-S140 PolarHBondContact O-OG 3.49Å; S140-P142 WeakPolarHBondContact O-CD 3.4Å
141	L	55	Low	60.2	Low	161 Å²	161	124.2 Å²	124.2	84%	0.843	70%	0.698	S	S	*	*			trans	-110.4	91.3	167.5	-85.6	149.2	0	0	0	109.2
142	P	52	Low	58	Low	114 Å²	114	123.2 Å²	123.2	74%	0.74	71%	0.706	S	S	*	*			trans	-75.1	129.9	157.2	29.7	-26.5	0	0	0	108.8	S140	S140-P142 WeakPolarHBondContact O-CD 3.4Å
143	D	50.7	Low	55.8	Low	160 Å²	160	126.3 Å²	126.3	86%	0.856	72%	0.721	S	S	*	*			trans	-57	144.8	164	-99.9	-50.6	0	0	0	110.9
144	S	41.3	Very low	54	Low	193 Å²	193	120 Å²	120	100%	1.35	72%	0.72	S	S	*	*			trans	87.3	0	168.3	-51.9	0	0	0	0	118.5

Retrieved 144 of 144 residues in 194.1 ms (Link to these results)

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