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Mediator of RNA polymerase II transcription subunit 8

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 , UniProt , Accession G4VHF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene MED8, Length 197 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	55.9	Low	82.5	Confident	159 Å²	159	104.8 Å²	104.8	78%	0.783	51%	0.508	S	S	*	.				0	110	0	-152.2	169.1	103	0	0	107.3	E5 K6 L9	M1-E5 VanDerWaalsContact CA-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CG-CB 4.07Å; M1-E5 WeakPolarHBondContact CG-OE2 3.39Å; M1-K6 VanDerWaalsContact CE-CA 3.49Å; M1-K6 HydrophobicContact CE-CB 3.5Å; M1-K6 HydrophobicContact CE-CG 3.72Å; M1-L9 HydrophobicContact CE-CD2 4.39Å
2	Q	76.9	Confident	83.1	Confident	141 Å²	141	103.2 Å²	103.2	66%	0.659	51%	0.509	S	S	*	.			trans	-66.5	147.1	-175.7	-61.2	178.8	6	0	0	108.9	A4 E5 K6	Q2-A4 PolarHBondContact O-N 2.93Å; Q2-E5 HydrophobicContact CB-CG 4.32Å; Q2-E5 PolarHBondContact N-OE2 2.88Å; Q2-E5 WeakPolarHBondContact O-CB 3.41Å; Q2-E5 PolarHBondContact O-N 3.33Å; Q2-K6 PolarHBondContact O-N 3.19Å
3	I	83.3	Confident	83.8	Confident	159 Å²	159	101.6 Å²	101.6	82%	0.815	50%	0.504	S	S	*	.	H	α-helix	trans	-52.3	-34.3	-176.7	-65.5	169.5	0	0	0	111.6	K6 R7	I3-K6 PolarHBondContact O-N 3.15Å; I3-R7 PolarHBondContact O-N 3.42Å; I3-R7 VanDerWaalsContact O-N 3.17Å
4	A	82.5	Confident	84.5	Confident	59 Å²	59	98.1 Å²	98.1	49%	0.488	49%	0.491	S	S	.	.	H	α-helix	trans	-62.6	-46.1	176.1	0	0	0	0	0	113.3	Q2 K6 R7 Q8	Q2-A4 PolarHBondContact O-N 2.93Å; A4-K6 VanDerWaalsContact C-N 3.31Å; A4-K6 PolarHBondContact O-N 2.75Å; A4-R7 PolarHBondContact O-N 2.88Å; A4-Q8 WeakPolarHBondContact O-CG 3.26Å; A4-Q8 PolarHBondContact O-N 2.91Å
5	E	83.1	Confident	85.1	Confident	89 Å²	89	93.9 Å²	93.9	42%	0.416	47%	0.47	S	S	.	.	H	α-helix	trans	-62.7	-39.9	179.2	-62.2	172	148.3	0	0	111.1	M1 Q2 R7 Q8 L9	M1-E5 VanDerWaalsContact CA-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CG-CB 4.07Å; M1-E5 WeakPolarHBondContact CG-OE2 3.39Å; Q2-E5 HydrophobicContact CB-CG 4.32Å; Q2-E5 PolarHBondContact N-OE2 2.88Å; Q2-E5 WeakPolarHBondContact O-CB 3.41Å; Q2-E5 PolarHBondContact O-N 3.33Å; E5-R7 PolarHBondContact O-N 3.37Å; E5-Q8 PolarHBondContact O-N 2.84Å; E5-L9 WeakPolarHBondContact O-CB 3.34Å; E5-L9 PolarHBondContact O-N 2.72Å
6	K	86.7	Confident	85.7	Confident	114 Å²	114	96.4 Å²	96.4	50%	0.496	47%	0.474	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.8	-169.3	-178.8	174.6	-172	0	111.6	M1 Q2 I3 A4 L9 E10	M1-K6 VanDerWaalsContact CE-CA 3.49Å; M1-K6 HydrophobicContact CE-CB 3.5Å; M1-K6 HydrophobicContact CE-CG 3.72Å; Q2-K6 PolarHBondContact O-N 3.19Å; I3-K6 PolarHBondContact O-N 3.15Å; A4-K6 VanDerWaalsContact C-N 3.31Å; A4-K6 PolarHBondContact O-N 2.75Å; K6-L9 PolarHBondContact O-N 2.94Å; K6-E10 VanDerWaalsContact CE-OE1 3.29Å; K6-E10 WeakPolarHBondContact CE-OE1 3.3Å; K6-E10 WeakPolarHBondContact O-CG 3.45Å; K6-E10 PolarHBondContact O-N 3.29Å
7	R	86.4	Confident	86.2	Confident	155 Å²	155	95.2 Å²	95.2	59%	0.585	47%	0.474	S	S	*	.	H	α-helix	trans	-63.2	-42	177.1	-175.8	179.4	175.3	-177	-2.6	111.8	I3 A4 E5 E10 N11	I3-R7 PolarHBondContact O-N 3.42Å; I3-R7 VanDerWaalsContact O-N 3.17Å; A4-R7 PolarHBondContact O-N 2.88Å; E5-R7 PolarHBondContact O-N 3.37Å; R7-E10 PolarHBondContact O-N 3.47Å; R7-N11 PolarHBondContact O-N 2.73Å
8	Q	84.6	Confident	86.8	Confident	79 Å²	79	90.3 Å²	90.3	37%	0.369	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-43	175.9	-73.3	173.3	-20.5	0	0	111.6	A4 E5 E10 N11 V12	A4-Q8 WeakPolarHBondContact O-CG 3.26Å; A4-Q8 PolarHBondContact O-N 2.91Å; E5-Q8 PolarHBondContact O-N 2.84Å; Q8-E10 VanDerWaalsContact C-N 3.33Å; Q8-E10 PolarHBondContact O-N 3.38Å; Q8-N11 WeakPolarHBondContact O-CB 3.17Å; Q8-N11 PolarHBondContact O-N 2.84Å; Q8-V12 WeakPolarHBondContact O-CG2 3.28Å; Q8-V12 PolarHBondContact O-N 2.92Å
9	L	87	Confident	87.3	Confident	90 Å²	90	89.8 Å²	89.8	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-61.6	-40.9	175.8	-176.6	62.3	0	0	0	111.9	M1 E5 K6 V12 N13	M1-L9 HydrophobicContact CE-CD2 4.39Å; E5-L9 WeakPolarHBondContact O-CB 3.34Å; E5-L9 PolarHBondContact O-N 2.72Å; K6-L9 PolarHBondContact O-N 2.94Å; L9-V12 PolarHBondContact O-N 3.26Å; L9-N13 WeakPolarHBondContact O-CB 3.48Å; L9-N13 VanDerWaalsContact O-CG 3.27Å; L9-N13 PolarHBondContact O-N 3.2Å; L9-N13 PolarHBondContact O-ND2 2.98Å
10	E	90.6	Very high	87.7	Confident	100 Å²	100	88.6 Å²	88.6	47%	0.467	44%	0.441	S	S	.	.	H	α-helix	trans	-63.2	-39.9	174.5	-72.4	170.5	-174.6	0	0	112.4	K6 R7 Q8 N13 T14	K6-E10 VanDerWaalsContact CE-OE1 3.29Å; K6-E10 WeakPolarHBondContact CE-OE1 3.3Å; K6-E10 WeakPolarHBondContact O-CG 3.45Å; K6-E10 PolarHBondContact O-N 3.29Å; R7-E10 PolarHBondContact O-N 3.47Å; Q8-E10 VanDerWaalsContact C-N 3.33Å; Q8-E10 PolarHBondContact O-N 3.38Å; E10-N13 PolarHBondContact O-N 2.89Å; E10-T14 PolarHBondContact O-N 3.46Å; E10-T14 PolarHBondContact O-OG1 3.3Å
11	N	90.4	Very high	88.1	Confident	8 Å²	8	89.5 Å²	89.5	4%	0.043	44%	0.442	C	S	.	.	H	α-helix	trans	-61.4	-49.6	173.6	-72.9	-9.7	0	0	0	111.2	R7 Q8 N13 T14 L15 R67 F68 E71	R7-N11 PolarHBondContact O-N 2.73Å; Q8-N11 WeakPolarHBondContact O-CB 3.17Å; Q8-N11 PolarHBondContact O-N 2.84Å; N11-N13 VanDerWaalsContact C-N 3.33Å; N11-N13 PolarHBondContact O-N 2.97Å; N11-T14 WeakPolarHBondContact O-CB 3.28Å; N11-T14 PolarHBondContact O-N 3.27Å; N11-T14 VanDerWaalsContact O-N 3.13Å; N11-L15 PolarHBondContact O-N 3.42Å; N11-R67 PolarHBondContact ND2-O 2.96Å; N11-F68 HydrophobicContact CB-CE1 4.32Å; N11-F68 HydrophobicContact CB-CE2 4.29Å; N11-F68 HydrophobicContact CB-CZ 3.91Å; N11-F68 WeakPolarHBondContact O-CZ 3.36Å; N11-E71 PolarHBondContact ND2-OE1 3.35Å
12	V	90	Very high	90.1	Very high	85 Å²	85	82.9 Å²	82.9	52%	0.515	41%	0.41	S	S	.	.	H	α-helix	trans	-60.9	-41.1	178.1	173.4	0	0	0	0	111.4	Q8 L9 T14 L15 Y16	Q8-V12 WeakPolarHBondContact O-CG2 3.28Å; Q8-V12 PolarHBondContact O-N 2.92Å; L9-V12 PolarHBondContact O-N 3.26Å; V12-T14 VanDerWaalsContact C-N 3.31Å; V12-T14 PolarHBondContact O-N 3.15Å; V12-L15 PolarHBondContact O-N 3.41Å; V12-Y16 WeakPolarHBondContact O-CB 3.33Å; V12-Y16 PolarHBondContact O-N 3.1Å
13	N	92.5	Very high	90.9	Very high	83 Å²	83	78.5 Å²	78.5	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-36.2	175.7	-76.5	-30.6	0	0	0	112.7	L9 E10 N11 Y16 T17	L9-N13 WeakPolarHBondContact O-CB 3.48Å; L9-N13 VanDerWaalsContact O-CG 3.27Å; L9-N13 PolarHBondContact O-N 3.2Å; L9-N13 PolarHBondContact O-ND2 2.98Å; E10-N13 PolarHBondContact O-N 2.89Å; N11-N13 VanDerWaalsContact C-N 3.33Å; N11-N13 PolarHBondContact O-N 2.97Å; N13-Y16 PolarHBondContact O-N 3.21Å; N13-T17 PolarHBondContact O-N 2.84Å; N13-T17 PolarHBondContact O-OG1 3.05Å
14	T	93.1	Very high	91.5	Very high	53 Å²	53	75 Å²	75	33%	0.325	37%	0.369	S	S	.	.	H	α-helix	trans	-63.3	-47.1	174.8	-56.7	0	0	0	0	110.4	E10 N11 V12 T17 A18 I62	E10-T14 PolarHBondContact O-N 3.46Å; E10-T14 PolarHBondContact O-OG1 3.3Å; N11-T14 WeakPolarHBondContact O-CB 3.28Å; N11-T14 PolarHBondContact O-N 3.27Å; N11-T14 VanDerWaalsContact O-N 3.13Å; V12-T14 VanDerWaalsContact C-N 3.31Å; V12-T14 PolarHBondContact O-N 3.15Å; T14-T17 PolarHBondContact O-N 2.94Å; T14-A18 PolarHBondContact O-N 3.22Å; T14-I62 HydrophobicContact CG2-CD1 4.45Å
15	L	93.9	Very high	92.2	Very high	34 Å²	34	75.3 Å²	75.3	18%	0.178	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-44.2	176.5	-178.6	63.7	0	0	0	111.8	N11 V12 T17 A18 I19 I59 I62 L63 F68	N11-L15 PolarHBondContact O-N 3.42Å; V12-L15 PolarHBondContact O-N 3.41Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.37Å; L15-A18 PolarHBondContact O-N 3.39Å; L15-I19 HydrophobicContact CD1-CD1 4.09Å; L15-I19 HydrophobicContact CD1-CG1 4.34Å; L15-I19 HydrophobicContact CD2-CD1 4.37Å; L15-I19 HydrophobicContact CG-CD1 3.79Å; L15-I19 HydrophobicContact CG-CG1 4.41Å; L15-I19 WeakPolarHBondContact O-CG1 3.33Å; L15-I19 PolarHBondContact O-N 2.94Å; L15-I59 HydrophobicContact CD1-CG2 4.07Å; L15-I62 HydrophobicContact CD1-CG2 4.39Å; L15-L63 HydrophobicContact CD1-CD2 3.98Å; L15-L63 HydrophobicContact CD1-CG 4.17Å; L15-L63 HydrophobicContact CD2-CD2 4Å; L15-F68 HydrophobicContact CB-CZ 4Å; L15-F68 HydrophobicContact CD2-CE1 4.29Å; L15-F68 HydrophobicContact CD2-CZ 4.48Å
16	Y	93.9	Very high	92.8	Very high	135 Å²	135	74.9 Å²	74.9	53%	0.529	36%	0.359	S	S	.	.	H	α-helix	trans	-56.1	-45.1	176.2	175.1	-94.5	0	0	0	111.6	V12 N13 A18 I19 H20	V12-Y16 WeakPolarHBondContact O-CB 3.33Å; V12-Y16 PolarHBondContact O-N 3.1Å; N13-Y16 PolarHBondContact O-N 3.21Å; Y16-A18 VanDerWaalsContact C-N 3.33Å; Y16-A18 PolarHBondContact O-N 3.13Å; Y16-I19 PolarHBondContact O-N 3.1Å; Y16-H20 WeakPolarHBondContact O-CB 3.26Å; Y16-H20 PolarHBondContact O-N 3.46Å
17	T	95	Very high	93.2	Very high	76 Å²	76	72.8 Å²	72.8	47%	0.466	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-41.4	178.6	-57.4	0	0	0	0	111.8	N13 T14 L15 H20 K21	N13-T17 PolarHBondContact O-N 2.84Å; N13-T17 PolarHBondContact O-OG1 3.05Å; T14-T17 PolarHBondContact O-N 2.94Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.37Å; T17-H20 PolarHBondContact O-N 3.46Å; T17-K21 WeakPolarHBondContact O-CG 3.45Å; T17-K21 PolarHBondContact O-N 3.06Å
18	A	96	Very high	93.5	Very high	6 Å²	6	68.2 Å²	68.2	5%	0.05	34%	0.338	C	S	.	.	H	α-helix	trans	-66.9	-44.2	176.5	0	0	0	0	0	112.1	T14 L15 Y16 H20 K21 L22 I59 I62	T14-A18 PolarHBondContact O-N 3.22Å; L15-A18 PolarHBondContact O-N 3.39Å; Y16-A18 VanDerWaalsContact C-N 3.33Å; Y16-A18 PolarHBondContact O-N 3.13Å; A18-H20 VanDerWaalsContact C-N 3.31Å; A18-H20 PolarHBondContact O-N 3.33Å; A18-K21 PolarHBondContact O-N 2.93Å; A18-L22 PolarHBondContact O-N 3.44Å; A18-I59 HydrophobicContact CB-CG1 3.82Å; A18-I62 HydrophobicContact CB-CD1 3.56Å
19	I	96.5	Very high	94	Very high	82 Å²	82	65.5 Å²	65.5	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-39.6	175.6	-67.5	170.5	0	0	0	111.1	L15 Y16 K21 L22 K23 I59	L15-I19 HydrophobicContact CD1-CD1 4.09Å; L15-I19 HydrophobicContact CD1-CG1 4.34Å; L15-I19 HydrophobicContact CD2-CD1 4.37Å; L15-I19 HydrophobicContact CG-CD1 3.79Å; L15-I19 HydrophobicContact CG-CG1 4.41Å; L15-I19 WeakPolarHBondContact O-CG1 3.33Å; L15-I19 PolarHBondContact O-N 2.94Å; Y16-I19 PolarHBondContact O-N 3.1Å; I19-K21 VanDerWaalsContact C-N 3.34Å; I19-K21 PolarHBondContact O-N 3.28Å; I19-L22 PolarHBondContact O-N 3.01Å; I19-K23 PolarHBondContact O-N 3.43Å; I19-I59 HydrophobicContact CG1-CD1 4.08Å; I19-I59 HydrophobicContact CG1-CG1 4.46Å
20	H	94.9	Very high	94.3	Very high	65 Å²	65	64.3 Å²	64.3	30%	0.301	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-41.2	178	-173.3	86	0	0	0	111.7	Y16 T17 A18 K23 Q24	Y16-H20 WeakPolarHBondContact O-CB 3.26Å; Y16-H20 PolarHBondContact O-N 3.46Å; T17-H20 PolarHBondContact O-N 3.46Å; A18-H20 VanDerWaalsContact C-N 3.31Å; A18-H20 PolarHBondContact O-N 3.33Å; H20-K23 WeakPolarHBondContact O-CB 3.17Å; H20-K23 PolarHBondContact O-N 3.42Å; H20-Q24 PolarHBondContact NE2-NE2 2.99Å; H20-Q24 WeakPolarHBondContact O-CG 3.42Å; H20-Q24 PolarHBondContact O-N 3.06Å
21	K	96.2	Very high	94.4	Very high	108 Å²	108	64.1 Å²	64.1	47%	0.47	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-47.6	174.1	-70.1	175.8	-178.8	179.8	0	111.8	T17 A18 I19 K23 Q24 K25	T17-K21 WeakPolarHBondContact O-CG 3.45Å; T17-K21 PolarHBondContact O-N 3.06Å; A18-K21 PolarHBondContact O-N 2.93Å; I19-K21 VanDerWaalsContact C-N 3.34Å; I19-K21 PolarHBondContact O-N 3.28Å; K21-K23 VanDerWaalsContact C-N 3.3Å; K21-K23 PolarHBondContact O-N 2.82Å; K21-Q24 PolarHBondContact O-N 3.01Å; K21-K25 WeakPolarHBondContact O-CG 3.49Å; K21-K25 PolarHBondContact O-N 2.92Å; K21-K25 VanDerWaalsContact O-N 3.11Å
22	L	97.7	Very high	94.4	Very high	20 Å²	20	64.6 Å²	64.6	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-57.2	-45.2	176.1	175.6	61.2	0	0	0	111.3	A18 I19 Q24 K25 I26 C52 E55 L56 I59	A18-L22 PolarHBondContact O-N 3.44Å; I19-L22 PolarHBondContact O-N 3.01Å; L22-Q24 VanDerWaalsContact C-N 3.34Å; L22-Q24 PolarHBondContact O-N 3.34Å; L22-K25 PolarHBondContact O-N 3.32Å; L22-K25 VanDerWaalsContact O-N 3.14Å; L22-I26 HydrophobicContact CD1-CD1 3.89Å; L22-I26 HydrophobicContact CD1-CG1 4.05Å; L22-I26 HydrophobicContact CD2-CD1 4.36Å; L22-I26 HydrophobicContact CG-CD1 3.77Å; L22-I26 HydrophobicContact CG-CG1 4.34Å; L22-I26 WeakPolarHBondContact O-CG1 3.47Å; L22-I26 PolarHBondContact O-N 3.09Å; L22-C52 HydrophobicContact CD1-CB 4.17Å; L22-E55 HydrophobicContact CB-CB 3.98Å; L22-E55 HydrophobicContact CD1-CB 4.08Å; L22-L56 HydrophobicContact CD1-CG 4.12Å; L22-L56 HydrophobicContact CD2-CD2 3.54Å; L22-L56 HydrophobicContact CD2-CG 3.9Å; L22-I59 HydrophobicContact CB-CD1 4.05Å; L22-I59 HydrophobicContact CD2-CD1 3.68Å
23	K	95.4	Very high	94.5	Very high	49 Å²	49	62.8 Å²	62.8	21%	0.213	32%	0.319	C	S	.	.	H	α-helix	trans	-54.9	-47.7	176	179.7	-170.5	172.2	-178.9	0	111.9	I19 H20 K21 K25 I26 Q27 E94	I19-K23 PolarHBondContact O-N 3.43Å; H20-K23 WeakPolarHBondContact O-CB 3.17Å; H20-K23 PolarHBondContact O-N 3.42Å; K21-K23 VanDerWaalsContact C-N 3.3Å; K21-K23 PolarHBondContact O-N 2.82Å; K23-K25 VanDerWaalsContact C-N 3.31Å; K23-K25 PolarHBondContact O-N 3.42Å; K23-I26 PolarHBondContact O-N 3.47Å; K23-Q27 WeakPolarHBondContact O-CG 3.35Å; K23-Q27 PolarHBondContact O-N 3.14Å; K23-E94 WeakPolarHBondContact CE-OE2 3.43Å; K23-E94 IonicContact NZ-OE1 2.63Å; K23-E94 PolarHBondContact NZ-OE1 3.37Å; K23-E94 IonicContact NZ-OE2 2.63Å; K23-E94 PolarHBondContact NZ-OE2 3Å
24	Q	95.3	Very high	94.5	Very high	84 Å²	84	66 Å²	66	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-39.7	178.5	-65.9	-60.8	-31.6	0	0	112	H20 K21 L22 Q27 D28	H20-Q24 PolarHBondContact NE2-NE2 2.99Å; H20-Q24 WeakPolarHBondContact O-CG 3.42Å; H20-Q24 PolarHBondContact O-N 3.06Å; K21-Q24 PolarHBondContact O-N 3.01Å; L22-Q24 VanDerWaalsContact C-N 3.34Å; L22-Q24 PolarHBondContact O-N 3.34Å; Q24-Q27 PolarHBondContact O-N 2.91Å; Q24-D28 PolarHBondContact O-N 3.02Å
25	K	96.1	Very high	94.3	Very high	67 Å²	67	68.5 Å²	68.5	29%	0.291	35%	0.347	S	S	.	.	H	α-helix	trans	-68.7	-38.6	176.9	-59.5	-53.6	179.5	-175.7	0	112.6	K21 L22 K23 D28 L29 L51 C52 E55	K21-K25 WeakPolarHBondContact O-CG 3.49Å; K21-K25 PolarHBondContact O-N 2.92Å; K21-K25 VanDerWaalsContact O-N 3.11Å; L22-K25 PolarHBondContact O-N 3.32Å; L22-K25 VanDerWaalsContact O-N 3.14Å; K23-K25 VanDerWaalsContact C-N 3.31Å; K23-K25 PolarHBondContact O-N 3.42Å; K25-D28 PolarHBondContact O-N 3.06Å; K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 PolarHBondContact O-N 2.94Å; K25-L51 HydrophobicContact CD-CB 4.36Å; K25-L51 HydrophobicContact CD-CD1 4.46Å; K25-L51 HydrophobicContact CG-CB 4.48Å; K25-C52 VanDerWaalsContact CB-SG 3.58Å; K25-E55 HydrophobicContact CG-CG 4.18Å
26	I	96.7	Very high	94	Very high	79 Å²	79	69.2 Å²	69.2	41%	0.405	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-43.1	174.2	-67.8	170.8	0	0	0	110.3	L22 K23 D28 L29 V30	L22-I26 HydrophobicContact CD1-CD1 3.89Å; L22-I26 HydrophobicContact CD1-CG1 4.05Å; L22-I26 HydrophobicContact CD2-CD1 4.36Å; L22-I26 HydrophobicContact CG-CD1 3.77Å; L22-I26 HydrophobicContact CG-CG1 4.34Å; L22-I26 WeakPolarHBondContact O-CG1 3.47Å; L22-I26 PolarHBondContact O-N 3.09Å; K23-I26 PolarHBondContact O-N 3.47Å; I26-D28 PolarHBondContact O-N 3.29Å; I26-L29 WeakPolarHBondContact O-CB 3.39Å; I26-L29 PolarHBondContact O-N 3.5Å; I26-V30 HydrophobicContact CG2-CG2 4.32Å; I26-V30 WeakPolarHBondContact O-CG2 2.91Å; I26-V30 PolarHBondContact O-N 3.28Å
27	Q	94.7	Very high	93.2	Very high	70 Å²	70	65 Å²	65	33%	0.327	35%	0.347	S	S	.	.	H	α-helix	trans	-59.3	-46.9	176	-76.2	173.8	-34.5	0	0	111.6	K23 Q24 L29 V30 I31	K23-Q27 WeakPolarHBondContact O-CG 3.35Å; K23-Q27 PolarHBondContact O-N 3.14Å; Q24-Q27 PolarHBondContact O-N 2.91Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 2.96Å; Q27-V30 PolarHBondContact O-N 3Å; Q27-I31 VanDerWaalsContact O-CG1 3.29Å; Q27-I31 WeakPolarHBondContact O-CG1 3.18Å; Q27-I31 PolarHBondContact O-N 3.01Å
28	D	94	Very high	92.6	Very high	59 Å²	59	70.1 Å²	70.1	32%	0.316	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-40.2	174.8	-179.4	30.7	0	0	0	112.1	Q24 K25 I26 K32	Q24-D28 PolarHBondContact O-N 3.02Å; K25-D28 PolarHBondContact O-N 3.06Å; I26-D28 PolarHBondContact O-N 3.29Å; D28-K32 WeakPolarHBondContact O-CB 3.45Å; D28-K32 WeakPolarHBondContact O-CG 3.29Å; D28-K32 PolarHBondContact O-N 3.41Å; D28-K32 WeakPolarHBondContact OD1-CE 3.46Å; D28-K32 IonicContact OD1-NZ 3.99Å; D28-K32 PolarHBondContact OD1-NZ 2.92Å; D28-K32 VanDerWaalsContact OD1-NZ 3.09Å; D28-K32 IonicContact OD2-NZ 3.79Å; D28-K32 PolarHBondContact OD2-NZ 3.37Å
29	L	94.2	Very high	92.1	Very high	23 Å²	23	78.5 Å²	78.5	12%	0.12	41%	0.409	C	S	.	.	H	α-helix	trans	-63.5	-44	175.8	-172.9	69.6	0	0	0	112.3	K25 I26 Q27 K32 A33 Y45 T48 L49	K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 PolarHBondContact O-N 2.94Å; I26-L29 WeakPolarHBondContact O-CB 3.39Å; I26-L29 PolarHBondContact O-N 3.5Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 2.96Å; L29-K32 PolarHBondContact O-N 2.93Å; L29-A33 WeakPolarHBondContact O-CB 3.45Å; L29-A33 PolarHBondContact O-N 3.19Å; L29-Y45 HydrophobicContact CD1-CD2 3.88Å; L29-Y45 HydrophobicContact CD1-CE1 4.3Å; L29-Y45 HydrophobicContact CD1-CE2 3.49Å; L29-Y45 VanDerWaalsContact CD1-CE2 3.49Å; L29-Y45 HydrophobicContact CD1-CG 4.44Å; L29-Y45 HydrophobicContact CG-CE2 4.2Å; L29-T48 HydrophobicContact CB-CG2 4.06Å; L29-T48 HydrophobicContact CD1-CG2 4.05Å; L29-L49 HydrophobicContact CD2-CD1 4.02Å
30	V	93.4	Very high	91.5	Very high	65 Å²	65	76.5 Å²	76.5	39%	0.394	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-48.2	177.6	170.9	0	0	0	0	110.2	I26 Q27 K32 A33 E34	I26-V30 HydrophobicContact CG2-CG2 4.32Å; I26-V30 WeakPolarHBondContact O-CG2 2.91Å; I26-V30 PolarHBondContact O-N 3.28Å; Q27-V30 PolarHBondContact O-N 3Å; V30-K32 VanDerWaalsContact C-N 3.3Å; V30-K32 PolarHBondContact O-N 3.48Å; V30-A33 WeakPolarHBondContact O-CB 3.33Å; V30-A33 PolarHBondContact O-N 2.91Å; V30-A33 VanDerWaalsContact O-N 3.11Å; V30-E34 HydrophobicContact CG1-CG 4.27Å; V30-E34 WeakPolarHBondContact CG1-OE1 3.36Å; V30-E34 WeakPolarHBondContact O-CG 3.42Å; V30-E34 PolarHBondContact O-N 3.27Å
31	I	92.9	Very high	91.2	Very high	96 Å²	96	77 Å²	77	49%	0.492	41%	0.407	S	S	.	.	H	α-helix	trans	-58	-43.9	177.6	-67.9	165.1	0	0	0	110.7	Q27 E34 T35	Q27-I31 VanDerWaalsContact O-CG1 3.29Å; Q27-I31 WeakPolarHBondContact O-CG1 3.18Å; Q27-I31 PolarHBondContact O-N 3.01Å; I31-E34 PolarHBondContact O-N 3.23Å; I31-T35 HydrophobicContact CG2-CG2 4.12Å; I31-T35 VanDerWaalsContact O-CB 3.3Å; I31-T35 WeakPolarHBondContact O-CB 3.43Å; I31-T35 VanDerWaalsContact O-CG2 3.24Å; I31-T35 WeakPolarHBondContact O-CG2 3.25Å; I31-T35 PolarHBondContact O-N 3.04Å; I31-T35 PolarHBondContact O-OG1 3.07Å
32	K	91	Very high	91	Very high	18 Å²	18	79.2 Å²	79.2	8%	0.078	41%	0.413	C	S	.	.	H	α-helix	trans	-62.4	-43.9	175.9	-75.9	166.5	177.7	155.7	0	112.3	D28 L29 V30 E34 Q36 T48	D28-K32 WeakPolarHBondContact O-CB 3.45Å; D28-K32 WeakPolarHBondContact O-CG 3.29Å; D28-K32 PolarHBondContact O-N 3.41Å; D28-K32 WeakPolarHBondContact OD1-CE 3.46Å; D28-K32 IonicContact OD1-NZ 3.99Å; D28-K32 PolarHBondContact OD1-NZ 2.92Å; D28-K32 VanDerWaalsContact OD1-NZ 3.09Å; D28-K32 IonicContact OD2-NZ 3.79Å; D28-K32 PolarHBondContact OD2-NZ 3.37Å; L29-K32 PolarHBondContact O-N 2.93Å; V30-K32 VanDerWaalsContact C-N 3.3Å; V30-K32 PolarHBondContact O-N 3.48Å; K32-E34 VanDerWaalsContact C-N 3.35Å; K32-E34 PolarHBondContact O-N 3Å; K32-Q36 VanDerWaalsContact O-CB 3.29Å; K32-Q36 WeakPolarHBondContact O-CB 3.39Å; K32-Q36 WeakPolarHBondContact O-CG 3.3Å; K32-Q36 PolarHBondContact O-N 3.27Å; K32-T48 HydrophobicContact CD-CG2 4.35Å; K32-T48 PolarHBondContact NZ-OG1 2.95Å
33	A	91	Very high	90.8	Very high	47 Å²	47	82.7 Å²	82.7	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-43.5	178.2	0	0	0	0	0	111.8	L29 V30 G37 Y45	L29-A33 WeakPolarHBondContact O-CB 3.45Å; L29-A33 PolarHBondContact O-N 3.19Å; V30-A33 WeakPolarHBondContact O-CB 3.33Å; V30-A33 PolarHBondContact O-N 2.91Å; V30-A33 VanDerWaalsContact O-N 3.11Å; A33-G37 PolarHBondContact O-N 2.96Å; A33-Y45 HydrophobicContact CB-CE2 4.2Å
34	E	91.6	Very high	90.5	Very high	151 Å²	151	87.1 Å²	87.1	71%	0.706	45%	0.452	S	S	*	.	H	α-helix	trans	-73.7	-37.5	-178.7	-69.8	176.9	168.4	0	0	112.9	V30 I31 K32	V30-E34 HydrophobicContact CG1-CG 4.27Å; V30-E34 WeakPolarHBondContact CG1-OE1 3.36Å; V30-E34 WeakPolarHBondContact O-CG 3.42Å; V30-E34 PolarHBondContact O-N 3.27Å; I31-E34 PolarHBondContact O-N 3.23Å; K32-E34 VanDerWaalsContact C-N 3.35Å; K32-E34 PolarHBondContact O-N 3Å
35	T	90.4	Very high	90.4	Very high	104 Å²	104	85.7 Å²	85.7	64%	0.638	44%	0.444	S	S	*	.	H	α-helix	trans	-85	-31.2	-175.3	55.1	0	0	0	0	113.9	I31	I31-T35 HydrophobicContact CG2-CG2 4.12Å; I31-T35 VanDerWaalsContact O-CB 3.3Å; I31-T35 WeakPolarHBondContact O-CB 3.43Å; I31-T35 VanDerWaalsContact O-CG2 3.24Å; I31-T35 WeakPolarHBondContact O-CG2 3.25Å; I31-T35 PolarHBondContact O-N 3.04Å; I31-T35 PolarHBondContact O-OG1 3.07Å
36	Q	86.8	Confident	90.3	Very high	50 Å²	50	85.9 Å²	85.9	23%	0.234	45%	0.447	C	S	.	.	H	α-helix	trans	-97.5	-25.8	-172	-56.3	-172.9	-30.3	0	0	113.5	K32 D38 Q39 C40	K32-Q36 VanDerWaalsContact O-CB 3.29Å; K32-Q36 WeakPolarHBondContact O-CB 3.39Å; K32-Q36 WeakPolarHBondContact O-CG 3.3Å; K32-Q36 PolarHBondContact O-N 3.27Å; Q36-D38 PolarHBondContact O-N 3.43Å; Q36-Q39 CarbonylContact O-C 3.46Å; Q36-Q39 WeakPolarHBondContact O-CA 3.44Å; Q36-Q39 PolarHBondContact O-N 3.46Å; Q36-C40 HydrophobicContact CB-CB 4.19Å; Q36-C40 PolarHBondContact O-N 3.37Å
37	G	77.5	Confident	90.2	Very high	47 Å²	47	85.6 Å²	85.6	49%	0.485	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	44	-122	176.9	0	0	0	0	0	113	A33 Q39 C40	A33-G37 PolarHBondContact O-N 2.96Å; G37-Q39 VanDerWaalsContact C-N 3.28Å; G37-Q39 PolarHBondContact O-N 3.5Å; G37-C40 WeakPolarHBondContact O-CB 3.43Å; G37-C40 PolarHBondContact O-N 3.44Å
38	D	82.2	Confident	90.2	Very high	182 Å²	182	82.4 Å²	82.4	97%	0.973	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-72.9	-15	178.9	-63.2	-26.9	0	0	0	114.4	Q36 C40	Q36-D38 PolarHBondContact O-N 3.43Å; D38-C40 VanDerWaalsContact C-N 3.31Å
39	Q	85.9	Confident	90.3	Very high	182 Å²	182	83.4 Å²	83.4	85%	0.85	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-95.3	19.3	176.7	-59.2	-175.4	11.5	0	0	112.4	Q36 G37 D41	Q36-Q39 CarbonylContact O-C 3.46Å; Q36-Q39 WeakPolarHBondContact O-CA 3.44Å; Q36-Q39 PolarHBondContact O-N 3.46Å; G37-Q39 VanDerWaalsContact C-N 3.28Å; G37-Q39 PolarHBondContact O-N 3.5Å; Q39-D41 PolarHBondContact O-N 2.87Å
40	C	84	Confident	90.4	Very high	40 Å²	40	85.2 Å²	85.2	27%	0.27	46%	0.461	S	S	.	.			trans	-58.3	124.4	-178.7	-173.1	0	0	0	0	112.2	Q36 G37 D38 W42 Y45	Q36-C40 HydrophobicContact CB-CB 4.19Å; Q36-C40 PolarHBondContact O-N 3.37Å; G37-C40 WeakPolarHBondContact O-CB 3.43Å; G37-C40 PolarHBondContact O-N 3.44Å; D38-C40 VanDerWaalsContact C-N 3.31Å; C40-W42 VanDerWaalsContact C-N 3.28Å; C40-W42 PolarHBondContact O-N 3.34Å; C40-Y45 VanDerWaalsContact SG-CB 3.57Å
41	D	89.3	Confident	90.6	Very high	75 Å²	75	85.4 Å²	85.4	40%	0.401	46%	0.459	S	S	.	.			trans	-73	87.8	167.7	177.8	5.5	0	0	0	108.1	Q39 P43 R44 Y45	Q39-D41 PolarHBondContact O-N 2.87Å; D41-P43 VanDerWaalsContact OD1-CD 3.25Å; D41-P43 WeakPolarHBondContact OD1-CD 3.32Å; D41-R44 HydrophobicContact CB-CB 4.07Å; D41-R44 WeakPolarHBondContact O-CA 3.31Å; D41-R44 WeakPolarHBondContact O-CB 3.32Å; D41-R44 PolarHBondContact O-N 2.85Å; D41-R44 WeakPolarHBondContact OD2-CB 3.25Å; D41-Y45 PolarHBondContact O-N 3.28Å
42	W	91.9	Very high	90.8	Very high	155 Å²	155	81.3 Å²	81.3	59%	0.587	44%	0.439	S	S	*	.	H	α-helix	trans	-52.9	-44.6	-173.2	-175.3	-113.4	0	0	0	113.9	C40 R44 Y45 L46	C40-W42 VanDerWaalsContact C-N 3.28Å; C40-W42 PolarHBondContact O-N 3.34Å; W42-R44 VanDerWaalsContact C-N 3.32Å; W42-R44 PolarHBondContact O-N 3.29Å; W42-Y45 AromaticContact CE3-CD1 3.97Å; W42-Y45 HydrophobicContact CE3-CD1 3.97Å; W42-Y45 HydrophobicContact CE3-CG 4.48Å; W42-Y45 HydrophobicContact CH2-CD1 4.35Å; W42-Y45 AromaticContact CZ3-CD1 3.65Å; W42-Y45 HydrophobicContact CZ3-CD1 3.65Å; W42-Y45 AromaticContact CZ3-CE1 3.98Å; W42-Y45 HydrophobicContact CZ3-CE1 3.98Å; W42-Y45 HydrophobicContact CZ3-CG 4.49Å; W42-Y45 PolarHBondContact O-N 2.93Å; W42-L46 HydrophobicContact CD2-CD1 4.34Å; W42-L46 HydrophobicContact CD2-CG 4.08Å; W42-L46 HydrophobicContact CG-CD1 4.38Å; W42-L46 HydrophobicContact CG-CG 4.43Å; W42-L46 HydrophobicContact CH2-CD2 4.09Å; W42-L46 HydrophobicContact CZ2-CD1 4.13Å; W42-L46 HydrophobicContact CZ2-CD2 3.64Å; W42-L46 HydrophobicContact CZ2-CG 3.94Å; W42-L46 WeakPolarHBondContact O-CB 3.41Å; W42-L46 WeakPolarHBondContact O-CG 3.42Å; W42-L46 PolarHBondContact O-N 3.12Å
43	P	92.5	Very high	91.1	Very high	94 Å²	94	83.3 Å²	83.3	61%	0.61	46%	0.459	S	S	*	.	H	α-helix	trans	-51.9	-45.5	170.4	-28.9	33	0	0	0	114.1	D41 S47	D41-P43 VanDerWaalsContact OD1-CD 3.25Å; D41-P43 WeakPolarHBondContact OD1-CD 3.32Å; P43-S47 WeakPolarHBondContact O-CB 3.44Å; P43-S47 PolarHBondContact O-N 3Å
44	R	89.6	Confident	91.4	Very high	142 Å²	142	83.9 Å²	83.9	54%	0.536	46%	0.46	S	S	.	.	H	α-helix	trans	-71.9	-36.9	-179.7	-174.4	174.7	179.9	173.3	-2.7	112.2	D41 W42 S47 T48	D41-R44 HydrophobicContact CB-CB 4.07Å; D41-R44 WeakPolarHBondContact O-CA 3.31Å; D41-R44 WeakPolarHBondContact O-CB 3.32Å; D41-R44 PolarHBondContact O-N 2.85Å; D41-R44 WeakPolarHBondContact OD2-CB 3.25Å; W42-R44 VanDerWaalsContact C-N 3.32Å; W42-R44 PolarHBondContact O-N 3.29Å; R44-S47 PolarHBondContact O-N 3.4Å; R44-T48 PolarHBondContact O-N 3.44Å; R44-T48 VanDerWaalsContact O-N 3.08Å; R44-T48 PolarHBondContact O-OG1 3.35Å
45	Y	92.6	Very high	91.7	Very high	54 Å²	54	78.2 Å²	78.2	21%	0.212	43%	0.433	C	S	.	.	H	α-helix	trans	-61.9	-51.5	173.6	-176.9	-91.4	0	0	0	111.2	L29 A33 C40 D41 W42 S47 T48 L49	L29-Y45 HydrophobicContact CD1-CD2 3.88Å; L29-Y45 HydrophobicContact CD1-CE1 4.3Å; L29-Y45 HydrophobicContact CD1-CE2 3.49Å; L29-Y45 VanDerWaalsContact CD1-CE2 3.49Å; L29-Y45 HydrophobicContact CD1-CG 4.44Å; L29-Y45 HydrophobicContact CG-CE2 4.2Å; A33-Y45 HydrophobicContact CB-CE2 4.2Å; C40-Y45 VanDerWaalsContact SG-CB 3.57Å; D41-Y45 PolarHBondContact O-N 3.28Å; W42-Y45 AromaticContact CE3-CD1 3.97Å; W42-Y45 HydrophobicContact CE3-CD1 3.97Å; W42-Y45 HydrophobicContact CE3-CG 4.48Å; W42-Y45 HydrophobicContact CH2-CD1 4.35Å; W42-Y45 AromaticContact CZ3-CD1 3.65Å; W42-Y45 HydrophobicContact CZ3-CD1 3.65Å; W42-Y45 AromaticContact CZ3-CE1 3.98Å; W42-Y45 HydrophobicContact CZ3-CE1 3.98Å; W42-Y45 HydrophobicContact CZ3-CG 4.49Å; W42-Y45 PolarHBondContact O-N 2.93Å; Y45-S47 VanDerWaalsContact C-N 3.31Å; Y45-S47 PolarHBondContact O-N 3.2Å; Y45-T48 WeakPolarHBondContact O-CB 3.12Å; Y45-T48 PolarHBondContact O-N 3.4Å; Y45-L49 PolarHBondContact O-N 3.07Å
46	L	94.4	Very high	92.1	Very high	71 Å²	71	78 Å²	78	37%	0.372	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-39.1	176.7	-75.4	-176.7	0	0	0	112.6	W42 T48 L49 A50	W42-L46 HydrophobicContact CD2-CD1 4.34Å; W42-L46 HydrophobicContact CD2-CG 4.08Å; W42-L46 HydrophobicContact CG-CD1 4.38Å; W42-L46 HydrophobicContact CG-CG 4.43Å; W42-L46 HydrophobicContact CH2-CD2 4.09Å; W42-L46 HydrophobicContact CZ2-CD1 4.13Å; W42-L46 HydrophobicContact CZ2-CD2 3.64Å; W42-L46 HydrophobicContact CZ2-CG 3.94Å; W42-L46 WeakPolarHBondContact O-CB 3.41Å; W42-L46 WeakPolarHBondContact O-CG 3.42Å; W42-L46 PolarHBondContact O-N 3.12Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 2.67Å; L46-L49 HydrophobicContact CD2-CD2 4.41Å; L46-L49 PolarHBondContact O-N 3.45Å; L46-A50 WeakPolarHBondContact O-CB 3.38Å; L46-A50 PolarHBondContact O-N 3.22Å
47	S	94.9	Very high	92.5	Very high	72 Å²	72	78.2 Å²	78.2	50%	0.503	44%	0.435	S	S	.	.	H	α-helix	trans	-59.1	-41.3	173.8	-179.2	0	0	0	0	111.5	P43 R44 Y45 A50 L51	P43-S47 WeakPolarHBondContact O-CB 3.44Å; P43-S47 PolarHBondContact O-N 3Å; R44-S47 PolarHBondContact O-N 3.4Å; Y45-S47 VanDerWaalsContact C-N 3.31Å; Y45-S47 PolarHBondContact O-N 3.2Å; S47-A50 PolarHBondContact O-N 2.99Å; S47-L51 WeakPolarHBondContact O-CG 3.44Å; S47-L51 PolarHBondContact O-N 2.78Å; S47-L51 VanDerWaalsContact O-N 3.07Å
48	T	94.3	Very high	93.4	Very high	4 Å²	4	80 Å²	80	3%	0.025	43%	0.431	C	S	.	.	H	α-helix	trans	-67.2	-40.9	177.1	-47.4	0	0	0	0	111.5	L29 K32 R44 Y45 L46 A50 L51 C52	L29-T48 HydrophobicContact CB-CG2 4.06Å; L29-T48 HydrophobicContact CD1-CG2 4.05Å; K32-T48 HydrophobicContact CD-CG2 4.35Å; K32-T48 PolarHBondContact NZ-OG1 2.95Å; R44-T48 PolarHBondContact O-N 3.44Å; R44-T48 VanDerWaalsContact O-N 3.08Å; R44-T48 PolarHBondContact O-OG1 3.35Å; Y45-T48 WeakPolarHBondContact O-CB 3.12Å; Y45-T48 PolarHBondContact O-N 3.4Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 2.67Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 3.35Å; T48-L51 WeakPolarHBondContact O-CB 3.33Å; T48-L51 PolarHBondContact O-N 2.8Å; T48-C52 PolarHBondContact O-N 3.09Å; T48-C52 VanDerWaalsContact O-N 3.09Å; T48-C52 PolarHBondContact O-SG 3.05Å
49	L	96.1	Very high	94.1	Very high	80 Å²	80	72.3 Å²	72.3	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-40.4	174.7	-174.4	65.5	0	0	0	112.1	L29 Y45 L46 L51 C52 A53	L29-L49 HydrophobicContact CD2-CD1 4.02Å; Y45-L49 PolarHBondContact O-N 3.07Å; L46-L49 HydrophobicContact CD2-CD2 4.41Å; L46-L49 PolarHBondContact O-N 3.45Å; L49-L51 VanDerWaalsContact C-N 3.3Å; L49-L51 PolarHBondContact O-N 2.69Å; L49-C52 WeakPolarHBondContact O-CB 3.42Å; L49-C52 PolarHBondContact O-N 3.08Å; L49-A53 PolarHBondContact O-N 3.4Å
50	A	97	Very high	94.6	Very high	61 Å²	61	70.7 Å²	70.7	50%	0.504	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-36.6	175	0	0	0	0	0	112	L46 S47 T48 A53 S54	L46-A50 WeakPolarHBondContact O-CB 3.38Å; L46-A50 PolarHBondContact O-N 3.22Å; S47-A50 PolarHBondContact O-N 2.99Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 3.35Å; A50-A53 PolarHBondContact O-N 2.86Å; A50-S54 PolarHBondContact O-N 3.49Å
51	L	96.9	Very high	95.1	Very high	69 Å²	69	74.7 Å²	74.7	36%	0.361	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-45.2	171.9	-66.7	174	0	0	0	111.4	K25 S47 T48 L49 A53 S54 E55	K25-L51 HydrophobicContact CD-CB 4.36Å; K25-L51 HydrophobicContact CD-CD1 4.46Å; K25-L51 HydrophobicContact CG-CB 4.48Å; S47-L51 WeakPolarHBondContact O-CG 3.44Å; S47-L51 PolarHBondContact O-N 2.78Å; S47-L51 VanDerWaalsContact O-N 3.07Å; T48-L51 WeakPolarHBondContact O-CB 3.33Å; T48-L51 PolarHBondContact O-N 2.8Å; L49-L51 VanDerWaalsContact C-N 3.3Å; L49-L51 PolarHBondContact O-N 2.69Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 PolarHBondContact O-N 3.48Å; L51-S54 PolarHBondContact O-N 2.93Å; L51-S54 VanDerWaalsContact O-N 3.11Å; L51-S54 PolarHBondContact O-OG 2.9Å; L51-E55 WeakPolarHBondContact O-CG 3.29Å; L51-E55 PolarHBondContact O-N 3.27Å
52	C	97.6	Very high	95.3	Very high	9 Å²	9	72.1 Å²	72.1	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-56.8	-44.3	174.4	-65	0	0	0	0	112	L22 K25 T48 L49 S54 E55 L56	L22-C52 HydrophobicContact CD1-CB 4.17Å; K25-C52 VanDerWaalsContact CB-SG 3.58Å; T48-C52 PolarHBondContact O-N 3.09Å; T48-C52 VanDerWaalsContact O-N 3.09Å; T48-C52 PolarHBondContact O-SG 3.05Å; L49-C52 WeakPolarHBondContact O-CB 3.42Å; L49-C52 PolarHBondContact O-N 3.08Å; C52-S54 VanDerWaalsContact C-N 3.32Å; C52-S54 PolarHBondContact O-N 3.38Å; C52-E55 PolarHBondContact O-N 2.95Å; C52-L56 PolarHBondContact O-N 3.36Å
53	A	97.5	Very high	95.4	Very high	60 Å²	60	68.3 Å²	68.3	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-37.8	176.6	0	0	0	0	0	112.5	L49 A50 L51 L56 S57	L49-A53 PolarHBondContact O-N 3.4Å; A50-A53 PolarHBondContact O-N 2.86Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 PolarHBondContact O-N 3.48Å; A53-L56 PolarHBondContact O-N 2.93Å; A53-S57 PolarHBondContact O-N 3.29Å
54	S	97.4	Very high	95.3	Very high	60 Å²	60	69.3 Å²	69.3	42%	0.42	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-41.3	176.3	75.1	0	0	0	0	112.7	A50 L51 C52 S57 E58	A50-S54 PolarHBondContact O-N 3.49Å; L51-S54 PolarHBondContact O-N 2.93Å; L51-S54 VanDerWaalsContact O-N 3.11Å; L51-S54 PolarHBondContact O-OG 2.9Å; C52-S54 VanDerWaalsContact C-N 3.32Å; C52-S54 PolarHBondContact O-N 3.38Å; S54-S57 WeakPolarHBondContact O-CB 3.46Å; S54-S57 PolarHBondContact O-N 2.87Å; S54-E58 PolarHBondContact O-N 3.09Å
55	E	97.4	Very high	95.5	Very high	31 Å²	31	64.3 Å²	64.3	15%	0.145	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-37.4	176.8	-61.9	-68.2	175.7	0	0	111.3	L22 K25 L51 C52 S57 E58 I59	L22-E55 HydrophobicContact CB-CB 3.98Å; L22-E55 HydrophobicContact CD1-CB 4.08Å; K25-E55 HydrophobicContact CG-CG 4.18Å; L51-E55 WeakPolarHBondContact O-CG 3.29Å; L51-E55 PolarHBondContact O-N 3.27Å; C52-E55 PolarHBondContact O-N 2.95Å; E55-S57 VanDerWaalsContact C-N 3.34Å; E55-E58 PolarHBondContact O-N 2.87Å; E55-I59 WeakPolarHBondContact O-CG1 3.48Å; E55-I59 PolarHBondContact O-N 3.44Å
56	L	97.7	Very high	95.3	Very high	99 Å²	99	68.6 Å²	68.6	52%	0.518	38%	0.375	S	S	.	.	H	α-helix	trans	-61.8	-41.1	171.7	-79.3	168.4	0	0	0	112.3	L22 C52 A53 E58 I59 R60	L22-L56 HydrophobicContact CD1-CG 4.12Å; L22-L56 HydrophobicContact CD2-CD2 3.54Å; L22-L56 HydrophobicContact CD2-CG 3.9Å; C52-L56 PolarHBondContact O-N 3.36Å; A53-L56 PolarHBondContact O-N 2.93Å; L56-E58 VanDerWaalsContact C-N 3.3Å; L56-E58 PolarHBondContact O-N 3.02Å; L56-I59 PolarHBondContact O-N 2.67Å; L56-R60 PolarHBondContact O-N 3.11Å
57	S	97.2	Very high	94.9	Very high	55 Å²	55	71.8 Å²	71.8	39%	0.385	38%	0.382	S	S	.	.	H	α-helix	trans	-62.1	-39.9	175.1	-171.2	0	0	0	0	111.5	A53 S54 E55 R60 K61	A53-S57 PolarHBondContact O-N 3.29Å; S54-S57 WeakPolarHBondContact O-CB 3.46Å; S54-S57 PolarHBondContact O-N 2.87Å; E55-S57 VanDerWaalsContact C-N 3.34Å; S57-R60 PolarHBondContact O-N 2.9Å; S57-K61 WeakPolarHBondContact O-CG 3.39Å; S57-K61 PolarHBondContact O-N 3.19Å
58	E	96.2	Very high	94.5	Very high	85 Å²	85	69 Å²	69	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-66	-44.7	176.9	-170.3	59.3	-159.5	0	0	112	S54 E55 L56 R60 K61 I62	S54-E58 PolarHBondContact O-N 3.09Å; E55-E58 PolarHBondContact O-N 2.87Å; L56-E58 VanDerWaalsContact C-N 3.3Å; L56-E58 PolarHBondContact O-N 3.02Å; E58-R60 VanDerWaalsContact C-N 3.28Å; E58-R60 PolarHBondContact O-N 3.42Å; E58-K61 PolarHBondContact O-N 3.13Å; E58-K61 VanDerWaalsContact O-N 3.16Å; E58-K61 IonicContact OE2-NZ 3.09Å; E58-I62 HydrophobicContact CG-CD1 4.26Å; E58-I62 WeakPolarHBondContact O-CG1 3.45Å; E58-I62 PolarHBondContact O-N 3.15Å
59	I	96.8	Very high	93.9	Very high	21 Å²	21	72.1 Å²	72.1	11%	0.108	38%	0.383	C	S	.	.	H	α-helix	trans	-56.9	-44.6	173.9	-69	164	0	0	0	110.6	L15 A18 I19 L22 E55 L56 K61 I62 L63	L15-I59 HydrophobicContact CD1-CG2 4.07Å; A18-I59 HydrophobicContact CB-CG1 3.82Å; I19-I59 HydrophobicContact CG1-CD1 4.08Å; I19-I59 HydrophobicContact CG1-CG1 4.46Å; L22-I59 HydrophobicContact CB-CD1 4.05Å; L22-I59 HydrophobicContact CD2-CD1 3.68Å; E55-I59 WeakPolarHBondContact O-CG1 3.48Å; E55-I59 PolarHBondContact O-N 3.44Å; L56-I59 PolarHBondContact O-N 2.67Å; I59-K61 PolarHBondContact O-N 3.48Å; I59-I62 PolarHBondContact O-N 3.08Å; I59-L63 HydrophobicContact CG2-CD1 3.93Å; I59-L63 HydrophobicContact CG2-CG 4.45Å; I59-L63 WeakPolarHBondContact O-CG 3.34Å; I59-L63 PolarHBondContact O-N 2.89Å
60	R	95.5	Very high	93.3	Very high	148 Å²	148	73.4 Å²	73.4	56%	0.558	39%	0.39	S	S	*	.	H	α-helix	trans	-59.6	-47.1	176.4	-179.7	176.4	173.6	-102.4	-8	111.7	L56 S57 E58 I62 L63 E64	L56-R60 PolarHBondContact O-N 3.11Å; S57-R60 PolarHBondContact O-N 2.9Å; E58-R60 VanDerWaalsContact C-N 3.28Å; E58-R60 PolarHBondContact O-N 3.42Å; R60-I62 VanDerWaalsContact C-N 3.31Å; R60-I62 PolarHBondContact O-N 3.49Å; R60-L63 PolarHBondContact O-N 3.29Å; R60-E64 HydrophobicContact CG-CG 4.28Å; R60-E64 VanDerWaalsContact CZ-CD 3.49Å; R60-E64 IonicContact CZ-OE1 2.99Å; R60-E64 IonicContact CZ-OE2 3.21Å; R60-E64 IonicContact NE-OE1 2.82Å; R60-E64 PolarHBondContact NE-OE1 3.03Å; R60-E64 IonicContact NE-OE2 3.53Å; R60-E64 IonicContact NH1-OE2 3.6Å; R60-E64 VanDerWaalsContact NH2-CD 3.33Å; R60-E64 IonicContact NH2-OE1 2.68Å; R60-E64 PolarHBondContact NH2-OE1 3.4Å; R60-E64 IonicContact NH2-OE2 3.18Å; R60-E64 PolarHBondContact NH2-OE2 2.86Å; R60-E64 WeakPolarHBondContact O-CB 3.37Å; R60-E64 WeakPolarHBondContact O-CG 3.44Å; R60-E64 PolarHBondContact O-N 3.44Å
61	K	95.2	Very high	92.6	Very high	124 Å²	124	72.7 Å²	72.7	54%	0.539	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-39.2	177.5	-71.2	173.3	-171.2	171.1	0	112.5	S57 E58 I59 E64 S65	S57-K61 WeakPolarHBondContact O-CG 3.39Å; S57-K61 PolarHBondContact O-N 3.19Å; E58-K61 PolarHBondContact O-N 3.13Å; E58-K61 VanDerWaalsContact O-N 3.16Å; E58-K61 IonicContact OE2-NZ 3.09Å; I59-K61 PolarHBondContact O-N 3.48Å; K61-E64 PolarHBondContact O-N 3.46Å; K61-S65 PolarHBondContact O-N 3Å; K61-S65 VanDerWaalsContact O-N 3.11Å
62	I	93.9	Very high	91.9	Very high	21 Å²	21	77.1 Å²	77.1	11%	0.108	40%	0.395	C	S	.	.	H	α-helix	trans	-62.3	-49.8	176.1	-69.3	167.1	0	0	0	109.7	T14 L15 A18 E58 I59 R60 E64 S65 F68	T14-I62 HydrophobicContact CG2-CD1 4.45Å; L15-I62 HydrophobicContact CD1-CG2 4.39Å; A18-I62 HydrophobicContact CB-CD1 3.56Å; E58-I62 HydrophobicContact CG-CD1 4.26Å; E58-I62 WeakPolarHBondContact O-CG1 3.45Å; E58-I62 PolarHBondContact O-N 3.15Å; I59-I62 PolarHBondContact O-N 3.08Å; R60-I62 VanDerWaalsContact C-N 3.31Å; R60-I62 PolarHBondContact O-N 3.49Å; I62-E64 VanDerWaalsContact C-N 3.32Å; I62-E64 PolarHBondContact O-N 3.48Å; I62-S65 WeakPolarHBondContact O-CB 3.44Å; I62-S65 PolarHBondContact O-N 3.37Å; I62-S65 PolarHBondContact O-OG 3.36Å; I62-F68 HydrophobicContact CG2-CD2 4.11Å; I62-F68 HydrophobicContact CG2-CE2 3.43Å; I62-F68 VanDerWaalsContact CG2-CE2 3.43Å; I62-F68 HydrophobicContact CG2-CZ 4.09Å; I62-F68 WeakPolarHBondContact O-CD2 3.48Å
63	L	92.5	Very high	91.3	Very high	74 Å²	74	81.9 Å²	81.9	39%	0.387	42%	0.424	S	S	.	.	H	α-helix	trans	-65.3	-31.7	179.9	-69.3	172.6	0	0	0	113.5	L15 I59 R60 S65 F68	L15-L63 HydrophobicContact CD1-CD2 3.98Å; L15-L63 HydrophobicContact CD1-CG 4.17Å; L15-L63 HydrophobicContact CD2-CD2 4Å; I59-L63 HydrophobicContact CG2-CD1 3.93Å; I59-L63 HydrophobicContact CG2-CG 4.45Å; I59-L63 WeakPolarHBondContact O-CG 3.34Å; I59-L63 PolarHBondContact O-N 2.89Å; R60-L63 PolarHBondContact O-N 3.29Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-F68 HydrophobicContact CD2-CD1 4.3Å; L63-F68 HydrophobicContact CD2-CE1 4.48Å; L63-F68 WeakPolarHBondContact O-CB 3.25Å
64	E	91.9	Very high	90.7	Very high	116 Å²	116	83.3 Å²	83.3	54%	0.542	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.3	177.2	-69.9	178	166.2	0	0	113.3	R60 K61 I62	R60-E64 HydrophobicContact CG-CG 4.28Å; R60-E64 VanDerWaalsContact CZ-CD 3.49Å; R60-E64 IonicContact CZ-OE1 2.99Å; R60-E64 IonicContact CZ-OE2 3.21Å; R60-E64 IonicContact NE-OE1 2.82Å; R60-E64 PolarHBondContact NE-OE1 3.03Å; R60-E64 IonicContact NE-OE2 3.53Å; R60-E64 IonicContact NH1-OE2 3.6Å; R60-E64 VanDerWaalsContact NH2-CD 3.33Å; R60-E64 IonicContact NH2-OE1 2.68Å; R60-E64 PolarHBondContact NH2-OE1 3.4Å; R60-E64 IonicContact NH2-OE2 3.18Å; R60-E64 PolarHBondContact NH2-OE2 2.86Å; R60-E64 WeakPolarHBondContact O-CB 3.37Å; R60-E64 WeakPolarHBondContact O-CG 3.44Å; R60-E64 PolarHBondContact O-N 3.44Å; K61-E64 PolarHBondContact O-N 3.46Å; I62-E64 VanDerWaalsContact C-N 3.32Å; I62-E64 PolarHBondContact O-N 3.48Å
65	S	92	Very high	90.1	Very high	37 Å²	37	86.3 Å²	86.3	26%	0.259	44%	0.439	S	S	.	.	S	Bend	trans	-74.8	156	178.7	75.1	0	0	0	0	112	K61 I62 L63 R67 F68	K61-S65 PolarHBondContact O-N 3Å; K61-S65 VanDerWaalsContact O-N 3.11Å; I62-S65 WeakPolarHBondContact O-CB 3.44Å; I62-S65 PolarHBondContact O-N 3.37Å; I62-S65 PolarHBondContact O-OG 3.36Å; L63-S65 VanDerWaalsContact C-N 3.32Å; S65-R67 PolarHBondContact O-N 3.47Å; S65-R67 WeakPolarHBondContact OG-CB 3.36Å; S65-F68 PolarHBondContact O-N 3.22Å
66	D	89.1	Confident	89.7	Confident	144 Å²	144	91.9 Å²	91.9	77%	0.77	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-56.2	-18.6	176.4	-64.2	-29.4	0	0	0	113.7	F68 S69	D66-F68 PolarHBondContact O-N 3.17Å; D66-S69 WeakPolarHBondContact O-CB 3.4Å; D66-S69 PolarHBondContact O-N 3.42Å; D66-S69 PolarHBondContact O-OG 3.29Å
67	R	86.3	Confident	89.3	Confident	138 Å²	138	92.4 Å²	92.4	52%	0.521	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-60.4	-32.2	174.9	-60	-178	178.5	-134.4	1	112	N11 S65	N11-R67 PolarHBondContact ND2-O 2.96Å; S65-R67 PolarHBondContact O-N 3.47Å; S65-R67 WeakPolarHBondContact OG-CB 3.36Å
68	F	85.9	Confident	88.9	Confident	12 Å²	12	91.8 Å²	91.8	5%	0.053	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-104.3	12.3	-175.4	-75	-91.1	0	0	0	114	N11 L15 I62 L63 S65 D66 N70 E71	N11-F68 HydrophobicContact CB-CE1 4.32Å; N11-F68 HydrophobicContact CB-CE2 4.29Å; N11-F68 HydrophobicContact CB-CZ 3.91Å; N11-F68 WeakPolarHBondContact O-CZ 3.36Å; L15-F68 HydrophobicContact CB-CZ 4Å; L15-F68 HydrophobicContact CD2-CE1 4.29Å; L15-F68 HydrophobicContact CD2-CZ 4.48Å; I62-F68 HydrophobicContact CG2-CD2 4.11Å; I62-F68 HydrophobicContact CG2-CE2 3.43Å; I62-F68 VanDerWaalsContact CG2-CE2 3.43Å; I62-F68 HydrophobicContact CG2-CZ 4.09Å; I62-F68 WeakPolarHBondContact O-CD2 3.48Å; L63-F68 HydrophobicContact CD2-CD1 4.3Å; L63-F68 HydrophobicContact CD2-CE1 4.48Å; L63-F68 WeakPolarHBondContact O-CB 3.25Å; S65-F68 PolarHBondContact O-N 3.22Å; D66-F68 PolarHBondContact O-N 3.17Å; F68-N70 PolarHBondContact O-N 3.39Å; F68-E71 VanDerWaalsContact CA-CD 3.45Å; F68-E71 WeakPolarHBondContact CA-OE2 3.39Å; F68-E71 HydrophobicContact CD1-CB 4.1Å; F68-E71 HydrophobicContact CD1-CG 3.76Å; F68-E71 HydrophobicContact CE1-CG 4.39Å; F68-E71 PolarHBondContact O-N 2.96Å
69	S	82.6	Confident	88.6	Confident	71 Å²	71	97.1 Å²	97.1	50%	0.497	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.5	-173.4	49.9	0	0	0	0	114.7	D66 E71	D66-S69 WeakPolarHBondContact O-CB 3.4Å; D66-S69 PolarHBondContact O-N 3.42Å; D66-S69 PolarHBondContact O-OG 3.29Å; S69-E71 PolarHBondContact N-OE2 2.95Å
70	N	83.2	Confident	88.3	Confident	107 Å²	107	102.9 Å²	102.9	57%	0.572	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-10.4	-175.7	-66.4	-43.7	0	0	0	112.8	F68 H72 T73	F68-N70 PolarHBondContact O-N 3.39Å; N70-H72 PolarHBondContact O-N 3.16Å; N70-T73 WeakPolarHBondContact O-CB 3.42Å; N70-T73 PolarHBondContact O-N 3.4Å; N70-T73 PolarHBondContact O-OG1 3.5Å
71	E	82.5	Confident	88.1	Confident	46 Å²	46	98.2 Å²	98.2	22%	0.215	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-65.9	-27.2	-172.8	-80	76.3	166.1	0	0	111.9	N11 F68 S69 T73 L74	N11-E71 PolarHBondContact ND2-OE1 3.35Å; F68-E71 VanDerWaalsContact CA-CD 3.45Å; F68-E71 WeakPolarHBondContact CA-OE2 3.39Å; F68-E71 HydrophobicContact CD1-CB 4.1Å; F68-E71 HydrophobicContact CD1-CG 3.76Å; F68-E71 HydrophobicContact CE1-CG 4.39Å; F68-E71 PolarHBondContact O-N 2.96Å; S69-E71 PolarHBondContact N-OE2 2.95Å; E71-T73 PolarHBondContact O-N 3Å; E71-T73 VanDerWaalsContact O-N 3.15Å; E71-L74 HydrophobicContact CG-CD1 4.3Å; E71-L74 PolarHBondContact O-N 3.36Å
72	H	81.4	Confident	87.8	Confident	161 Å²	161	95.2 Å²	95.2	75%	0.745	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-61.5	-17.6	171.1	-56.2	-67.6	0	0	0	113.7	N70	N70-H72 PolarHBondContact O-N 3.16Å
73	T	84.3	Confident	87.6	Confident	109 Å²	109	98.5 Å²	98.5	67%	0.669	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-93.8	-8.6	176.6	71.3	0	0	0	0	113.1	N70 E71	N70-T73 WeakPolarHBondContact O-CB 3.42Å; N70-T73 PolarHBondContact O-N 3.4Å; N70-T73 PolarHBondContact O-OG1 3.5Å; E71-T73 PolarHBondContact O-N 3Å; E71-T73 VanDerWaalsContact O-N 3.15Å
74	L	85	Confident	87.6	Confident	90 Å²	90	101.4 Å²	101.4	47%	0.471	54%	0.538	S	S	.	.			trans	-91.4	145.2	-179.2	-58.9	176.2	0	0	0	110.5	E71	E71-L74 HydrophobicContact CG-CD1 4.3Å; E71-L74 PolarHBondContact O-N 3.36Å
75	V	86.6	Confident	87.6	Confident	124 Å²	124	103.1 Å²	103.1	75%	0.752	55%	0.546	S	S	*	.			trans	-116.5	131.2	174.3	178.7	0	0	0	0	108.5
76	L	87.2	Confident	87.6	Confident	148 Å²	148	104.2 Å²	104.2	78%	0.775	55%	0.549	S	S	*	.			trans	-82.9	119.8	171.3	-63.9	177.4	0	0	0	109	L109	L76-L109 HydrophobicContact CB-CD2 4.49Å
77	T	89.1	Confident	87.8	Confident	109 Å²	109	103 Å²	103	67%	0.669	55%	0.547	S	S	*	.			trans	-126.7	127.9	175	-57.6	0	0	0	0	108.9	M79	T77-M79 PolarHBondContact O-N 3.18Å
78	P	90.5	Very high	88.1	Confident	42 Å²	42	101.3 Å²	101.3	27%	0.273	55%	0.549	S	S	.	.			trans	-57.3	127.7	172.8	-23.4	33.4	0	0	0	110.8	L81 F100 V105 L109	P78-L81 HydrophobicContact CB-CD2 3.61Å; P78-L81 HydrophobicContact CG-CD2 4.05Å; P78-F100 HydrophobicContact CB-CE1 3.97Å; P78-F100 HydrophobicContact CG-CE1 4Å; P78-F100 HydrophobicContact CG-CZ 4.33Å; P78-V105 HydrophobicContact CG-CG1 3.68Å; P78-V105 HydrophobicContact CG-CG2 4.38Å; P78-L109 HydrophobicContact CG-CD1 3.66Å
79	M	89.2	Confident	88.4	Confident	197 Å²	197	102.2 Å²	102.2	97%	0.97	55%	0.554	S	S	*	*	S	Bend	trans	-73.5	-34.8	173.5	-69.7	-175.8	67.5	0	0	112.1	T77	T77-M79 PolarHBondContact O-N 3.18Å
80	L	90	Very high	89	Confident	142 Å²	142	99.2 Å²	99.2	74%	0.743	53%	0.533	S	S	*	.			trans	-145.9	140.3	-179.7	-177.3	67.9	0	0	0	108.7
81	L	91.4	Very high	89.5	Confident	50 Å²	50	101.6 Å²	101.6	26%	0.262	54%	0.538	S	S	.	.			trans	-102	131.8	169.3	-59.7	-176	0	0	0	108.4	P78 F100 H102 V105	P78-L81 HydrophobicContact CB-CD2 3.61Å; P78-L81 HydrophobicContact CG-CD2 4.05Å; L81-F100 CarbonylContact C-O 3.6Å; L81-F100 WeakPolarHBondContact CA-O 3.41Å; L81-F100 HydrophobicContact CD2-CD1 4.26Å; L81-F100 HydrophobicContact CD2-CE1 4.35Å; L81-H102 WeakPolarHBondContact CD1-CE1 3.46Å; L81-H102 WeakPolarHBondContact CD1-ND1 3.43Å; L81-V105 HydrophobicContact CD2-CB 4.47Å; L81-V105 HydrophobicContact CD2-CG2 3.37Å
82	N	89	Confident	89.9	Confident	61 Å²	61	104.5 Å²	104.5	33%	0.326	55%	0.554	S	S	.	*	B	Isolated β-bridge	trans	-113	109	179.9	-170.3	6	0	0	0	109.4	E84 F100	N82-E84 WeakPolarHBondContact OD1-CB 3.42Å; N82-E84 PolarHBondContact OD1-N 3.19Å; N82-F100 PolarHBondContact N-O 2.88Å; N82-F100 CarbonylContact O-C 3.43Å; N82-F100 PolarHBondContact O-N 3.4Å
83	P	88.9	Confident	90.3	Very high	90 Å²	90	98.4 Å²	98.4	58%	0.584	53%	0.528	S	S	*	.			trans	-74.2	-18.3	175.7	31.8	-34.3	0	0	0	112.4
84	E	92.7	Very high	90.6	Very high	135 Å²	135	97.6 Å²	97.6	63%	0.631	52%	0.517	S	S	*	.	S	Bend	trans	-82.1	153.4	179.9	-60.4	-58	141.6	0	0	111.7	N82 D86	N82-E84 WeakPolarHBondContact OD1-CB 3.42Å; N82-E84 PolarHBondContact OD1-N 3.19Å; E84-D86 PolarHBondContact O-N 3.46Å
85	Q	92	Very high	91	Very high	152 Å²	152	99.8 Å²	99.8	71%	0.71	53%	0.525	S	S	*	.			trans	-64.4	128.1	175.5	-69.1	-175.9	-5.3	0	0	110.8	S98	Q85-S98 CarbonylContact C-O 3.54Å; Q85-S98 VanDerWaalsContact CA-O 3.3Å; Q85-S98 WeakPolarHBondContact CA-O 3.41Å
86	D	92.4	Very high	91.2	Very high	60 Å²	60	102 Å²	102	32%	0.321	52%	0.519	S	S	.	.			trans	-108.6	103.1	175	-176.6	-17.1	0	0	0	109.3	E84 N88 L89 A90 S98	E84-D86 PolarHBondContact O-N 3.46Å; D86-N88 PolarHBondContact O-N 3.25Å; D86-N88 WeakPolarHBondContact OD1-CA 3.48Å; D86-N88 WeakPolarHBondContact OD1-CB 3.24Å; D86-N88 PolarHBondContact OD1-N 3.02Å; D86-L89 HydrophobicContact CB-CB 3.69Å; D86-L89 HydrophobicContact CB-CD2 4.47Å; D86-L89 WeakPolarHBondContact O-CB 3.32Å; D86-L89 PolarHBondContact O-N 3.47Å; D86-L89 PolarHBondContact OD1-N 3.41Å; D86-A90 PolarHBondContact O-N 3.18Å; D86-S98 PolarHBondContact N-O 3.27Å
87	T	93.2	Very high	91.4	Very high	120 Å²	120	95.5 Å²	95.5	74%	0.736	49%	0.485	S	S	*	.	H	α-helix	trans	-62.2	-29.1	179.1	54.9	0	0	0	0	113	K91	T87-K91 WeakPolarHBondContact O-CB 3.36Å; T87-K91 PolarHBondContact O-N 3.48Å; T87-K91 VanDerWaalsContact O-N 3.08Å
88	N	93.5	Very high	91.6	Very high	102 Å²	102	92.6 Å²	92.6	55%	0.545	47%	0.47	S	S	.	.	H	α-helix	trans	-73.9	-43.6	176.6	-176	49.9	0	0	0	110.3	D86 A90 K91 I92	D86-N88 PolarHBondContact O-N 3.25Å; D86-N88 WeakPolarHBondContact OD1-CA 3.48Å; D86-N88 WeakPolarHBondContact OD1-CB 3.24Å; D86-N88 PolarHBondContact OD1-N 3.02Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 3.03Å; N88-K91 PolarHBondContact O-N 3.44Å; N88-I92 WeakPolarHBondContact O-CG1 3.43Å; N88-I92 PolarHBondContact O-N 3.29Å
89	L	92.3	Very high	91.7	Very high	31 Å²	31	92.5 Å²	92.5	16%	0.162	47%	0.467	C	S	.	.	H	α-helix	trans	-58.1	-46	173.7	-175.5	63.1	0	0	0	111.6	D86 K91 I92 T93 L97 F100	D86-L89 HydrophobicContact CB-CB 3.69Å; D86-L89 HydrophobicContact CB-CD2 4.47Å; D86-L89 WeakPolarHBondContact O-CB 3.32Å; D86-L89 PolarHBondContact O-N 3.47Å; D86-L89 PolarHBondContact OD1-N 3.41Å; L89-K91 PolarHBondContact O-N 3.24Å; L89-I92 HydrophobicContact CD1-CD1 4.21Å; L89-I92 HydrophobicContact CD1-CG1 4.44Å; L89-I92 VanDerWaalsContact O-CG1 3.28Å; L89-I92 WeakPolarHBondContact O-CG1 3.46Å; L89-I92 PolarHBondContact O-N 3.39Å; L89-T93 HydrophobicContact CD1-CG2 4.14Å; L89-T93 WeakPolarHBondContact O-CB 3.3Å; L89-T93 WeakPolarHBondContact O-CG2 3.37Å; L89-T93 PolarHBondContact O-N 3.35Å; L89-T93 PolarHBondContact O-OG1 3Å; L89-L97 CarbonylContact C-O 3.46Å; L89-L97 HydrophobicContact CD1-CD2 4.12Å; L89-L97 HydrophobicContact CD2-CD2 3.88Å; L89-L97 HydrophobicContact CD2-CG 3.83Å; L89-L97 HydrophobicContact CG-CD2 4.16Å; L89-L97 HydrophobicContact CG-CG 4.17Å; L89-L97 WeakPolarHBondContact CG-O 3.29Å; L89-F100 HydrophobicContact CD2-CB 3.94Å
90	A	93.9	Very high	91.8	Very high	7 Å²	7	85.6 Å²	85.6	6%	0.058	43%	0.432	C	S	.	.	H	α-helix	trans	-57	-50.1	176.2	0	0	0	0	0	110.7	D86 N88 I92 T93 E94 E95 L97	D86-A90 PolarHBondContact O-N 3.18Å; N88-A90 VanDerWaalsContact C-N 3.34Å; N88-A90 PolarHBondContact O-N 3.03Å; A90-I92 PolarHBondContact O-N 3.11Å; A90-T93 CarbonylContact O-C 3.58Å; A90-T93 PolarHBondContact O-N 3.02Å; A90-T93 PolarHBondContact O-OG1 3.07Å; A90-E94 PolarHBondContact O-N 3.39Å; A90-E94 VanDerWaalsContact O-N 3.15Å; A90-E95 WeakPolarHBondContact O-CA 3.36Å; A90-E95 PolarHBondContact O-N 3.03Å; A90-L97 VanDerWaalsContact CA-O 3.26Å; A90-L97 WeakPolarHBondContact CA-O 3.42Å; A90-L97 PolarHBondContact N-O 3.27Å
91	K	94.8	Very high	92	Very high	158 Å²	158	80.2 Å²	80.2	69%	0.687	40%	0.403	S	S	*	.	H	α-helix	trans	-60	-46.8	179.4	-173	179.7	-179.7	-178.9	0	113.2	T87 N88 L89 T93 E94	T87-K91 WeakPolarHBondContact O-CB 3.36Å; T87-K91 PolarHBondContact O-N 3.48Å; T87-K91 VanDerWaalsContact O-N 3.08Å; N88-K91 PolarHBondContact O-N 3.44Å; L89-K91 PolarHBondContact O-N 3.24Å; K91-T93 VanDerWaalsContact C-N 3.27Å; K91-T93 PolarHBondContact O-N 3.45Å; K91-E94 PolarHBondContact O-N 3.18Å
92	I	90.9	Very high	92.1	Very high	106 Å²	106	84.9 Å²	84.9	54%	0.544	42%	0.424	S	S	.	.	H	α-helix	trans	-71.8	-22.5	-178.6	64.2	167.1	0	0	0	113	N88 L89 A90	N88-I92 WeakPolarHBondContact O-CG1 3.43Å; N88-I92 PolarHBondContact O-N 3.29Å; L89-I92 HydrophobicContact CD1-CD1 4.21Å; L89-I92 HydrophobicContact CD1-CG1 4.44Å; L89-I92 VanDerWaalsContact O-CG1 3.28Å; L89-I92 WeakPolarHBondContact O-CG1 3.46Å; L89-I92 PolarHBondContact O-N 3.39Å; A90-I92 PolarHBondContact O-N 3.11Å
93	T	90.2	Very high	92.3	Very high	33 Å²	33	87.5 Å²	87.5	20%	0.202	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	7.9	177.7	61.3	0	0	0	0	113.2	L89 A90 K91 E95 R96 L97	L89-T93 HydrophobicContact CD1-CG2 4.14Å; L89-T93 WeakPolarHBondContact O-CB 3.3Å; L89-T93 WeakPolarHBondContact O-CG2 3.37Å; L89-T93 PolarHBondContact O-N 3.35Å; L89-T93 PolarHBondContact O-OG1 3Å; A90-T93 CarbonylContact O-C 3.58Å; A90-T93 PolarHBondContact O-N 3.02Å; A90-T93 PolarHBondContact O-OG1 3.07Å; K91-T93 VanDerWaalsContact C-N 3.27Å; K91-T93 PolarHBondContact O-N 3.45Å; T93-E95 VanDerWaalsContact C-N 3.32Å; T93-R96 VanDerWaalsContact O-CB 3.3Å; T93-R96 WeakPolarHBondContact O-CB 3.39Å; T93-R96 WeakPolarHBondContact O-CD 3.06Å; T93-R96 VanDerWaalsContact O-CG 3.28Å; T93-R96 WeakPolarHBondContact O-CG 3.42Å; T93-R96 PolarHBondContact O-N 3.11Å; T93-L97 HydrophobicContact CG2-CB 4Å; T93-L97 PolarHBondContact OG1-N 3.42Å; T93-L97 VanDerWaalsContact OG1-N 3.13Å; T93-L97 PolarHBondContact OG1-O 3.25Å
94	E	90.3	Very high	92.4	Very high	92 Å²	92	84.4 Å²	84.4	43%	0.43	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	50.4	-174.4	-64.5	168	-145	0	0	111.4	K23 A90 K91 R96	K23-E94 WeakPolarHBondContact CE-OE2 3.43Å; K23-E94 IonicContact NZ-OE1 2.63Å; K23-E94 PolarHBondContact NZ-OE1 3.37Å; K23-E94 IonicContact NZ-OE2 2.63Å; K23-E94 PolarHBondContact NZ-OE2 3Å; A90-E94 PolarHBondContact O-N 3.39Å; A90-E94 VanDerWaalsContact O-N 3.15Å; K91-E94 PolarHBondContact O-N 3.18Å; E94-R96 PolarHBondContact O-N 3.49Å; E94-R96 VanDerWaalsContact O-N 3.07Å
95	E	92.8	Very high	92.4	Very high	137 Å²	137	78.9 Å²	78.9	64%	0.64	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	10.8	177.9	-52.9	-58.1	137.8	0	0	114.9	A90 T93	A90-E95 WeakPolarHBondContact O-CA 3.36Å; A90-E95 PolarHBondContact O-N 3.03Å; T93-E95 VanDerWaalsContact C-N 3.32Å
96	R	91	Very high	92.4	Very high	169 Å²	169	75.5 Å²	75.5	64%	0.638	38%	0.383	S	S	*	.	S	Bend	trans	-75.7	-24.1	177.9	-67.2	174	51.9	178.2	-5.6	113.7	T93 E94 Y108	T93-R96 VanDerWaalsContact O-CB 3.3Å; T93-R96 WeakPolarHBondContact O-CB 3.39Å; T93-R96 WeakPolarHBondContact O-CD 3.06Å; T93-R96 VanDerWaalsContact O-CG 3.28Å; T93-R96 WeakPolarHBondContact O-CG 3.42Å; T93-R96 PolarHBondContact O-N 3.11Å; E94-R96 PolarHBondContact O-N 3.49Å; E94-R96 VanDerWaalsContact O-N 3.07Å; R96-Y108 PolarHBondContact O-OH 3.44Å; R96-Y108 VanDerWaalsContact O-OH 3.13Å
97	L	92.4	Very high	92.4	Very high	12 Å²	12	79.4 Å²	79.4	6%	0.063	40%	0.4	C	S	.	.			trans	-140.9	105	-176.9	-174	63.3	0	0	0	109.9	L89 A90 T93 L99 F100 T104 Y108	L89-L97 CarbonylContact C-O 3.46Å; L89-L97 HydrophobicContact CD1-CD2 4.12Å; L89-L97 HydrophobicContact CD2-CD2 3.88Å; L89-L97 HydrophobicContact CD2-CG 3.83Å; L89-L97 HydrophobicContact CG-CD2 4.16Å; L89-L97 HydrophobicContact CG-CG 4.17Å; L89-L97 WeakPolarHBondContact CG-O 3.29Å; A90-L97 VanDerWaalsContact CA-O 3.26Å; A90-L97 WeakPolarHBondContact CA-O 3.42Å; A90-L97 PolarHBondContact N-O 3.27Å; T93-L97 HydrophobicContact CG2-CB 4Å; T93-L97 PolarHBondContact OG1-N 3.42Å; T93-L97 VanDerWaalsContact OG1-N 3.13Å; T93-L97 PolarHBondContact OG1-O 3.25Å; L97-L99 WeakPolarHBondContact CD1-O 3.4Å; L97-F100 HydrophobicContact CD2-CD2 4Å; L97-T104 HydrophobicContact CD1-CG2 3.98Å; L97-Y108 HydrophobicContact CD1-CD2 4.14Å; L97-Y108 HydrophobicContact CD1-CE2 3.56Å; L97-Y108 HydrophobicContact CD2-CD1 4.33Å; L97-Y108 HydrophobicContact CD2-CD2 4.45Å; L97-Y108 HydrophobicContact CD2-CE1 4.11Å; L97-Y108 HydrophobicContact CD2-CE2 4.25Å; L97-Y108 HydrophobicContact CD2-CG 4.49Å; L97-Y108 HydrophobicContact CG-CE2 4.34Å
98	S	91.8	Very high	92.2	Very high	48 Å²	48	78.1 Å²	78.1	34%	0.336	38%	0.382	S	S	.	.	S	Bend	trans	-94.8	-15.2	179.7	55.7	0	0	0	0	114	Q85 D86	Q85-S98 CarbonylContact C-O 3.54Å; Q85-S98 VanDerWaalsContact CA-O 3.3Å; Q85-S98 WeakPolarHBondContact CA-O 3.41Å; D86-S98 PolarHBondContact N-O 3.27Å
99	L	92.4	Very high	92.2	Very high	41 Å²	41	76.2 Å²	76.2	22%	0.215	37%	0.372	C	S	.	.			trans	-151	149.4	-179	60.4	95.4	0	0	0	109.8	L97 N101 T104	L97-L99 WeakPolarHBondContact CD1-O 3.4Å; L99-N101 HydrophobicContact CD1-CB 3.69Å; L99-N101 WeakPolarHBondContact CD1-ND2 3.43Å; L99-N101 WeakPolarHBondContact CD1-OD1 3.12Å; L99-T104 HydrophobicContact CD1-CG2 4.13Å; L99-T104 PolarHBondContact O-OG1 2.94Å
100	F	92.4	Very high	92.2	Very high	52 Å²	52	81.6 Å²	81.6	23%	0.228	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-123.1	82.5	-178.6	-165.1	-116.8	0	0	0	110.2	P78 L81 N82 L89 L97 V105	P78-F100 HydrophobicContact CB-CE1 3.97Å; P78-F100 HydrophobicContact CG-CE1 4Å; P78-F100 HydrophobicContact CG-CZ 4.33Å; L81-F100 CarbonylContact C-O 3.6Å; L81-F100 WeakPolarHBondContact CA-O 3.41Å; L81-F100 HydrophobicContact CD2-CD1 4.26Å; L81-F100 HydrophobicContact CD2-CE1 4.35Å; N82-F100 PolarHBondContact N-O 2.88Å; N82-F100 CarbonylContact O-C 3.43Å; N82-F100 PolarHBondContact O-N 3.4Å; L89-F100 HydrophobicContact CD2-CB 3.94Å; L97-F100 HydrophobicContact CD2-CD2 4Å; F100-V105 HydrophobicContact CD1-CG2 3.89Å; F100-V105 HydrophobicContact CD2-CG2 3.95Å; F100-V105 HydrophobicContact CE1-CG2 3.66Å; F100-V105 HydrophobicContact CE2-CB 4.45Å; F100-V105 HydrophobicContact CE2-CG2 3.72Å; F100-V105 HydrophobicContact CG-CG2 4.05Å; F100-V105 HydrophobicContact CZ-CB 4.37Å; F100-V105 HydrophobicContact CZ-CG2 3.58Å
101	N	93.3	Very high	92.2	Very high	28 Å²	28	87.9 Å²	87.9	15%	0.15	43%	0.428	C	S	.	.	S	Bend	trans	-118.7	-175.4	-170.2	78.1	-15.8	0	0	0	112.3	L99 D103 T104 V105	L99-N101 HydrophobicContact CD1-CB 3.69Å; L99-N101 WeakPolarHBondContact CD1-ND2 3.43Å; L99-N101 WeakPolarHBondContact CD1-OD1 3.12Å; N101-D103 PolarHBondContact ND2-OD2 3.09Å; N101-D103 PolarHBondContact O-N 3.5Å; N101-D103 VanDerWaalsContact O-N 3.13Å; N101-D103 PolarHBondContact OD1-N 2.95Å; N101-T104 PolarHBondContact N-OG1 2.66Å; N101-T104 PolarHBondContact O-N 3.25Å; N101-T104 PolarHBondContact O-OG1 2.9Å; N101-T104 PolarHBondContact OD1-N 3.42Å; N101-T104 PolarHBondContact OD1-OG1 3.43Å; N101-V105 WeakPolarHBondContact O-CB 3.36Å; N101-V105 WeakPolarHBondContact O-CG2 3.31Å; N101-V105 PolarHBondContact O-N 3.19Å
102	H	93.7	Very high	92.1	Very high	149 Å²	149	86 Å²	86	69%	0.69	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.5	179.7	-67.5	-77.3	0	0	0	115.1	L81 P106	L81-H102 WeakPolarHBondContact CD1-CE1 3.46Å; L81-H102 WeakPolarHBondContact CD1-ND1 3.43Å; H102-P106 WeakPolarHBondContact O-CD 3.45Å; H102-P106 WeakPolarHBondContact O-CG 3.37Å
103	D	92.6	Very high	92.2	Very high	116 Å²	116	85.3 Å²	85.3	62%	0.62	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-37.8	-179.5	-54	-47.4	0	0	0	112.2	N101	N101-D103 PolarHBondContact ND2-OD2 3.09Å; N101-D103 PolarHBondContact O-N 3.5Å; N101-D103 VanDerWaalsContact O-N 3.13Å; N101-D103 PolarHBondContact OD1-N 2.95Å
104	T	92.5	Very high	92.4	Very high	24 Å²	24	89.1 Å²	89.1	15%	0.147	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-37.2	-175.5	47.8	0	0	0	0	112.2	L97 L99 N101 Q107 Y108	L97-T104 HydrophobicContact CD1-CG2 3.98Å; L99-T104 HydrophobicContact CD1-CG2 4.13Å; L99-T104 PolarHBondContact O-OG1 2.94Å; N101-T104 PolarHBondContact N-OG1 2.66Å; N101-T104 PolarHBondContact O-N 3.25Å; N101-T104 PolarHBondContact O-OG1 2.9Å; N101-T104 PolarHBondContact OD1-N 3.42Å; N101-T104 PolarHBondContact OD1-OG1 3.43Å; T104-Q107 WeakPolarHBondContact O-CB 3.33Å; T104-Q107 PolarHBondContact O-N 3Å; T104-Y108 WeakPolarHBondContact O-CD2 3.37Å; T104-Y108 PolarHBondContact O-N 3.33Å; T104-Y108 VanDerWaalsContact O-N 3.1Å
105	V	92.7	Very high	92.6	Very high	19 Å²	19	88.9 Å²	88.9	12%	0.115	44%	0.442	C	S	.	.	H	α-helix	trans	-54	-48	-177.9	167.4	0	0	0	0	113.2	P78 L81 F100 N101 Q107 Y108 L109	P78-V105 HydrophobicContact CG-CG1 3.68Å; P78-V105 HydrophobicContact CG-CG2 4.38Å; L81-V105 HydrophobicContact CD2-CB 4.47Å; L81-V105 HydrophobicContact CD2-CG2 3.37Å; F100-V105 HydrophobicContact CD1-CG2 3.89Å; F100-V105 HydrophobicContact CD2-CG2 3.95Å; F100-V105 HydrophobicContact CE1-CG2 3.66Å; F100-V105 HydrophobicContact CE2-CB 4.45Å; F100-V105 HydrophobicContact CE2-CG2 3.72Å; F100-V105 HydrophobicContact CG-CG2 4.05Å; F100-V105 HydrophobicContact CZ-CB 4.37Å; F100-V105 HydrophobicContact CZ-CG2 3.58Å; N101-V105 WeakPolarHBondContact O-CB 3.36Å; N101-V105 WeakPolarHBondContact O-CG2 3.31Å; N101-V105 PolarHBondContact O-N 3.19Å; V105-Q107 PolarHBondContact O-N 3.11Å; V105-Y108 PolarHBondContact O-N 3.5Å; V105-L109 HydrophobicContact CG1-CD1 3.87Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 PolarHBondContact O-N 3.02Å
106	P	92.4	Very high	92.8	Very high	81 Å²	81	89.8 Å²	89.8	53%	0.526	44%	0.444	S	S	.	.	H	α-helix	trans	-62.8	-25.7	179.1	-22.9	35	0	0	0	113.4	H102 R110	H102-P106 WeakPolarHBondContact O-CD 3.45Å; H102-P106 WeakPolarHBondContact O-CG 3.37Å; P106-R110 WeakPolarHBondContact O-CB 3.36Å; P106-R110 PolarHBondContact O-N 2.8Å
107	Q	91	Very high	93	Very high	142 Å²	142	84.6 Å²	84.6	66%	0.664	43%	0.431	S	S	*	.	H	α-helix	trans	-77.5	-45	178	-58.2	-178	4.8	0	0	111.2	T104 V105 R110	T104-Q107 WeakPolarHBondContact O-CB 3.33Å; T104-Q107 PolarHBondContact O-N 3Å; V105-Q107 PolarHBondContact O-N 3.11Å; Q107-R110 WeakPolarHBondContact O-CB 3.35Å
108	Y	90.3	Very high	93.2	Very high	94 Å²	94	88.2 Å²	88.2	37%	0.369	45%	0.447	S	S	.	.	H	α-helix	trans	-78.7	-26	-177.7	-81.4	-95.2	0	0	0	113.7	R96 L97 T104 V105	R96-Y108 PolarHBondContact O-OH 3.44Å; R96-Y108 VanDerWaalsContact O-OH 3.13Å; L97-Y108 HydrophobicContact CD1-CD2 4.14Å; L97-Y108 HydrophobicContact CD1-CE2 3.56Å; L97-Y108 HydrophobicContact CD2-CD1 4.33Å; L97-Y108 HydrophobicContact CD2-CD2 4.45Å; L97-Y108 HydrophobicContact CD2-CE1 4.11Å; L97-Y108 HydrophobicContact CD2-CE2 4.25Å; L97-Y108 HydrophobicContact CD2-CG 4.49Å; L97-Y108 HydrophobicContact CG-CE2 4.34Å; T104-Y108 WeakPolarHBondContact O-CD2 3.37Å; T104-Y108 PolarHBondContact O-N 3.33Å; T104-Y108 VanDerWaalsContact O-N 3.1Å; V105-Y108 PolarHBondContact O-N 3.5Å
109	L	92.9	Very high	93.5	Very high	62 Å²	62	89.7 Å²	89.7	33%	0.325	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	13.2	175.4	-59.6	-173.7	0	0	0	113.2	L76 P78 V105 T111	L76-L109 HydrophobicContact CB-CD2 4.49Å; P78-L109 HydrophobicContact CG-CD1 3.66Å; V105-L109 HydrophobicContact CG1-CD1 3.87Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 PolarHBondContact O-N 3.02Å; L109-T111 PolarHBondContact O-N 3.49Å
110	R	93	Very high	93.7	Very high	143 Å²	143	93 Å²	93	54%	0.54	47%	0.472	S	S	.	.			trans	-62.5	124.6	-178.9	-172.8	-178.4	175.5	107.2	-5.3	111	P106 Q107 K112	P106-R110 WeakPolarHBondContact O-CB 3.36Å; P106-R110 PolarHBondContact O-N 2.8Å; Q107-R110 WeakPolarHBondContact O-CB 3.35Å; R110-K112 HydrophobicContact CG-CB 4.35Å; R110-K112 PolarHBondContact NE-O 3.42Å; R110-K112 VanDerWaalsContact NE-O 3.07Å
111	T	92.2	Very high	93.8	Very high	139 Å²	139	93.3 Å²	93.3	85%	0.853	48%	0.48	S	S	*	.			trans	-104.9	-11.4	172.4	56	0	0	0	0	113.4	L109 L113	L109-T111 PolarHBondContact O-N 3.49Å; T111-L113 PolarHBondContact O-N 3.18Å
112	K	92.8	Very high	94	Very high	120 Å²	120	94.5 Å²	94.5	52%	0.522	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-70.9	123	178.5	-177	170.3	-177	171.9	0	110.6	R110 E118	R110-K112 HydrophobicContact CG-CB 4.35Å; R110-K112 PolarHBondContact NE-O 3.42Å; R110-K112 VanDerWaalsContact NE-O 3.07Å; K112-E118 WeakPolarHBondContact CE-OE2 3.41Å; K112-E118 IonicContact NZ-OE2 3.71Å
113	L	93	Very high	94.1	Very high	91 Å²	91	90.6 Å²	90.6	48%	0.476	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-54.9	157.4	174.8	-62.4	176	0	0	0	112.1	T111 V117 E118	T111-L113 PolarHBondContact O-N 3.18Å; L113-V117 HydrophobicContact CD1-CG1 4.37Å; L113-E118 HydrophobicContact CB-CB 4.35Å
114	D	94.1	Very high	94.3	Very high	112 Å²	112	90.1 Å²	90.1	60%	0.599	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-61.8	140	169.5	-74.1	-50.4	0	0	0	110.4	K116 V117 E118	D114-K116 PolarHBondContact O-N 3.41Å; D114-V117 HydrophobicContact CB-CG2 4.17Å; D114-V117 WeakPolarHBondContact O-CA 3.41Å; D114-V117 PolarHBondContact O-N 3.4Å; D114-E118 PolarHBondContact O-N 3.04Å
115	P	96.1	Very high	94.4	Very high	88 Å²	88	92.6 Å²	92.6	57%	0.571	50%	0.496	S	S	*	.	H	α-helix	trans	-54.4	-34.3	-174.8	-28.4	34.7	0	0	0	114.3	S119	P115-S119 WeakPolarHBondContact O-CB 3.32Å; P115-S119 PolarHBondContact O-N 3.41Å
116	K	96.1	Very high	94.5	Very high	155 Å²	155	96.7 Å²	96.7	67%	0.674	52%	0.521	S	S	*	.	H	α-helix	trans	-65	-46.9	175.8	-175.7	178.9	175.3	-175	0	111.3	D114 S119 E120	D114-K116 PolarHBondContact O-N 3.41Å; K116-S119 PolarHBondContact O-N 3.48Å; K116-E120 WeakPolarHBondContact CE-OE1 3.49Å; K116-E120 WeakPolarHBondContact O-CG 3.29Å; K116-E120 PolarHBondContact O-N 3.24Å
117	V	95.8	Very high	94.6	Very high	60 Å²	60	100.9 Å²	100.9	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-66.9	-41.6	178.8	-177.9	0	0	0	0	110.4	L113 D114 S119 E120 C121	L113-V117 HydrophobicContact CD1-CG1 4.37Å; D114-V117 HydrophobicContact CB-CG2 4.17Å; D114-V117 WeakPolarHBondContact O-CA 3.41Å; D114-V117 PolarHBondContact O-N 3.4Å; V117-S119 VanDerWaalsContact C-N 3.35Å; V117-S119 PolarHBondContact O-N 2.99Å; V117-E120 PolarHBondContact O-N 3.17Å; V117-C121 WeakPolarHBondContact O-CB 3.44Å; V117-C121 PolarHBondContact O-N 2.82Å; V117-C121 PolarHBondContact O-SG 2.97Å
118	E	96.4	Very high	94.7	Very high	88 Å²	88	96.6 Å²	96.6	41%	0.411	52%	0.515	S	S	.	.	H	α-helix	trans	-58.1	-45.8	175.6	-174.3	173.5	-154.4	0	0	111.5	K112 L113 D114 C121 A122	K112-E118 WeakPolarHBondContact CE-OE2 3.41Å; K112-E118 IonicContact NZ-OE2 3.71Å; L113-E118 HydrophobicContact CB-CB 4.35Å; D114-E118 PolarHBondContact O-N 3.04Å; E118-C121 PolarHBondContact O-N 3.21Å; E118-A122 WeakPolarHBondContact O-CB 3.37Å; E118-A122 PolarHBondContact O-N 3.5Å
119	S	97.1	Very high	94.8	Very high	80 Å²	80	96.2 Å²	96.2	56%	0.559	53%	0.531	S	S	*	.	H	α-helix	trans	-62.4	-44.9	175.6	-176.8	0	0	0	0	112.5	P115 K116 V117 A122 S123	P115-S119 WeakPolarHBondContact O-CB 3.32Å; P115-S119 PolarHBondContact O-N 3.41Å; K116-S119 PolarHBondContact O-N 3.48Å; V117-S119 VanDerWaalsContact C-N 3.35Å; V117-S119 PolarHBondContact O-N 2.99Å; S119-A122 PolarHBondContact O-N 3.44Å; S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 3Å
120	E	97.1	Very high	94.8	Very high	109 Å²	109	96.3 Å²	96.3	51%	0.509	55%	0.547	S	S	.	.	H	α-helix	trans	-62.6	-43.7	176.4	-73.5	173.2	-174.6	0	0	111.6	K116 V117 A122 S123 Q124	K116-E120 WeakPolarHBondContact CE-OE1 3.49Å; K116-E120 WeakPolarHBondContact O-CG 3.29Å; K116-E120 PolarHBondContact O-N 3.24Å; V117-E120 PolarHBondContact O-N 3.17Å; E120-A122 PolarHBondContact O-N 3.29Å; E120-S123 PolarHBondContact O-N 3.31Å; E120-Q124 WeakPolarHBondContact O-CB 3.38Å; E120-Q124 PolarHBondContact O-N 2.94Å
121	C	95.6	Very high	94.7	Very high	59 Å²	59	93.1 Å²	93.1	40%	0.399	54%	0.54	S	S	.	.	H	α-helix	trans	-61.9	-41.8	174.7	-73.4	0	0	0	0	112.4	V117 E118 Q124 S125	V117-C121 WeakPolarHBondContact O-CB 3.44Å; V117-C121 PolarHBondContact O-N 2.82Å; V117-C121 PolarHBondContact O-SG 2.97Å; E118-C121 PolarHBondContact O-N 3.21Å; C121-Q124 PolarHBondContact O-N 2.95Å; C121-S125 VanDerWaalsContact O-CB 3.32Å; C121-S125 WeakPolarHBondContact O-CB 3.47Å; C121-S125 PolarHBondContact O-N 3.4Å; C121-S125 PolarHBondContact O-OG 3.2Å
122	A	96.1	Very high	94.7	Very high	54 Å²	54	89.7 Å²	89.7	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-66.9	-42.8	178	0	0	0	0	0	112	E118 S119 E120 S125 T126	E118-A122 WeakPolarHBondContact O-CB 3.37Å; E118-A122 PolarHBondContact O-N 3.5Å; S119-A122 PolarHBondContact O-N 3.44Å; E120-A122 PolarHBondContact O-N 3.29Å; A122-S125 PolarHBondContact O-N 3.48Å; A122-T126 PolarHBondContact O-N 2.91Å; A122-T126 PolarHBondContact O-OG1 2.81Å
123	S	96.7	Very high	94.6	Very high	67 Å²	67	88.4 Å²	88.4	47%	0.469	53%	0.526	S	S	.	.	H	α-helix	trans	-60.4	-47.1	173.8	-180	0	0	0	0	111.1	S119 E120 S125 T126 R127	S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 3Å; E120-S123 PolarHBondContact O-N 3.31Å; S123-S125 PolarHBondContact O-N 3.34Å; S123-T126 PolarHBondContact O-N 3.41Å; S123-R127 WeakPolarHBondContact O-CG 3.23Å; S123-R127 PolarHBondContact O-N 3.25Å
124	Q	95.7	Very high	94.5	Very high	105 Å²	105	90 Å²	90	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-64.6	-39.8	177.8	-174.5	58.2	29.4	0	0	112.4	E120 C121 R127 A128	E120-Q124 WeakPolarHBondContact O-CB 3.38Å; E120-Q124 PolarHBondContact O-N 2.94Å; C121-Q124 PolarHBondContact O-N 2.95Å; Q124-R127 PolarHBondContact O-N 2.85Å; Q124-A128 WeakPolarHBondContact O-CB 3.39Å; Q124-A128 PolarHBondContact O-N 3.39Å
125	S	95.4	Very high	94.4	Very high	76 Å²	76	90.1 Å²	90.1	53%	0.531	53%	0.528	S	S	.	.	H	α-helix	trans	-64.5	-40.9	176.8	-60.5	0	0	0	0	111.7	C121 A122 S123 A128 A129	C121-S125 VanDerWaalsContact O-CB 3.32Å; C121-S125 WeakPolarHBondContact O-CB 3.47Å; C121-S125 PolarHBondContact O-N 3.4Å; C121-S125 PolarHBondContact O-OG 3.2Å; A122-S125 PolarHBondContact O-N 3.48Å; S123-S125 PolarHBondContact O-N 3.34Å; S125-A128 PolarHBondContact O-N 2.93Å; S125-A129 WeakPolarHBondContact O-CB 3.49Å; S125-A129 PolarHBondContact O-N 3.23Å
126	T	95.7	Very high	94.2	Very high	105 Å²	105	88.3 Å²	88.3	64%	0.644	52%	0.515	S	S	*	.	H	α-helix	trans	-62.3	-45.5	174.8	-58.6	0	0	0	0	111.4	A122 S123 A128 A129 G130	A122-T126 PolarHBondContact O-N 2.91Å; A122-T126 PolarHBondContact O-OG1 2.81Å; S123-T126 PolarHBondContact O-N 3.41Å; T126-A128 PolarHBondContact O-N 3.04Å; T126-A129 PolarHBondContact O-N 3.42Å; T126-G130 PolarHBondContact O-N 2.89Å
127	R	93.9	Very high	94.1	Very high	170 Å²	170	85.5 Å²	85.5	64%	0.642	51%	0.508	S	S	*	.	H	α-helix	trans	-62.1	-42.9	176.4	-70.7	173.3	68.5	-162.9	4	111.9	S123 Q124 G130	S123-R127 WeakPolarHBondContact O-CG 3.23Å; S123-R127 PolarHBondContact O-N 3.25Å; Q124-R127 PolarHBondContact O-N 2.85Å; R127-G130 PolarHBondContact O-N 3.14Å
128	A	91.9	Very high	94	Very high	51 Å²	51	88.7 Å²	88.7	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-41.4	178.4	0	0	0	0	0	112.1	Q124 S125 T126 G130 I131	Q124-A128 WeakPolarHBondContact O-CB 3.39Å; Q124-A128 PolarHBondContact O-N 3.39Å; S125-A128 PolarHBondContact O-N 2.93Å; T126-A128 PolarHBondContact O-N 3.04Å; A128-G130 PolarHBondContact O-N 2.99Å; A128-I131 PolarHBondContact O-N 3.49Å
129	A	92.9	Very high	93.9	Very high	86 Å²	86	89.7 Å²	89.7	71%	0.711	52%	0.524	S	S	*	.	H	α-helix	trans	-64.8	-22.2	177.6	0	0	0	0	0	113.6	S125 T126 I131	S125-A129 WeakPolarHBondContact O-CB 3.49Å; S125-A129 PolarHBondContact O-N 3.23Å; T126-A129 PolarHBondContact O-N 3.42Å; A129-I131 VanDerWaalsContact C-N 3.25Å; A129-I131 PolarHBondContact O-N 2.89Å
130	G	92.7	Very high	93.8	Very high	64 Å²	64	89.7 Å²	89.7	66%	0.66	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.5	175.8	0	0	0	0	0	114.7	T126 R127 A128	T126-G130 PolarHBondContact O-N 2.89Å; R127-G130 PolarHBondContact O-N 3.14Å; A128-G130 PolarHBondContact O-N 2.99Å
131	I	92.3	Very high	93.7	Very high	76 Å²	76	88.8 Å²	88.8	39%	0.39	52%	0.516	S	S	.	.	S	Bend	trans	-96.8	120.7	-180	-51.5	172	0	0	0	108.9	A128 A129 S133 Q135 V136	A128-I131 PolarHBondContact O-N 3.49Å; A129-I131 VanDerWaalsContact C-N 3.25Å; A129-I131 PolarHBondContact O-N 2.89Å; I131-S133 PolarHBondContact O-N 3.21Å; I131-Q135 HydrophobicContact CG2-CB 4.1Å; I131-V136 HydrophobicContact CB-CG2 3.87Å; I131-V136 HydrophobicContact CG2-CG2 3.51Å
132	P	92.3	Very high	93.7	Very high	68 Å²	68	91.4 Å²	91.4	44%	0.442	53%	0.525	S	S	.	.			trans	-56.3	136.2	175.6	-25.3	34.1	0	0	0	112.1	E134 Q135 V136	P132-E134 PolarHBondContact O-N 2.89Å; P132-E134 VanDerWaalsContact O-N 3.13Å; P132-Q135 HydrophobicContact CB-CB 4.48Å; P132-Q135 HydrophobicContact CB-CG 4.17Å; P132-Q135 HydrophobicContact CG-CG 4.36Å; P132-Q135 WeakPolarHBondContact O-CA 3.43Å; P132-Q135 WeakPolarHBondContact O-CB 3.49Å; P132-Q135 PolarHBondContact O-N 3.17Å; P132-V136 PolarHBondContact O-N 2.92Å
133	S	89.9	Confident	93.8	Very high	92 Å²	92	91.6 Å²	91.6	64%	0.643	52%	0.523	S	S	*	.	H	α-helix	trans	-55.2	-35.6	-175.2	57.6	0	0	0	0	114	I131 Q135 V136 N137	I131-S133 PolarHBondContact O-N 3.21Å; S133-Q135 VanDerWaalsContact C-N 3.35Å; S133-V136 PolarHBondContact O-N 3.43Å; S133-N137 PolarHBondContact O-N 2.82Å; S133-N137 VanDerWaalsContact O-N 3.14Å; S133-N137 PolarHBondContact O-ND2 2.92Å
134	E	90.6	Very high	93.8	Very high	125 Å²	125	92.2 Å²	92.2	58%	0.584	52%	0.521	S	S	*	.	H	α-helix	trans	-64.6	-38.8	175.2	-165	-169.6	158.5	0	0	112	P132 K138	P132-E134 PolarHBondContact O-N 2.89Å; P132-E134 VanDerWaalsContact O-N 3.13Å; E134-K138 WeakPolarHBondContact O-CG 3.43Å; E134-K138 PolarHBondContact O-N 3.28Å; E134-K138 VanDerWaalsContact O-N 3.17Å; E134-K138 VanDerWaalsContact OE1-CE 3.25Å; E134-K138 WeakPolarHBondContact OE1-CE 3.25Å; E134-K138 IonicContact OE1-NZ 2.66Å; E134-K138 PolarHBondContact OE1-NZ 3.34Å
135	Q	92.8	Very high	93.8	Very high	115 Å²	115	95.2 Å²	95.2	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-68.9	-39.2	176	-64.8	-177.3	8.1	0	0	111.2	I131 P132 S133 N137 K138 L139	I131-Q135 HydrophobicContact CG2-CB 4.1Å; P132-Q135 HydrophobicContact CB-CB 4.48Å; P132-Q135 HydrophobicContact CB-CG 4.17Å; P132-Q135 HydrophobicContact CG-CG 4.36Å; P132-Q135 WeakPolarHBondContact O-CA 3.43Å; P132-Q135 WeakPolarHBondContact O-CB 3.49Å; P132-Q135 PolarHBondContact O-N 3.17Å; S133-Q135 VanDerWaalsContact C-N 3.35Å; Q135-N137 PolarHBondContact O-N 3.31Å; Q135-K138 PolarHBondContact O-N 2.63Å; Q135-L139 WeakPolarHBondContact O-CB 3.36Å; Q135-L139 PolarHBondContact O-N 2.63Å
136	V	92.1	Very high	93.9	Very high	49 Å²	49	94.3 Å²	94.3	30%	0.297	53%	0.525	S	S	.	.	H	α-helix	trans	-56.6	-51.8	175.8	175.8	0	0	0	0	110.8	I131 P132 S133 K138 L139 I140	I131-V136 HydrophobicContact CB-CG2 3.87Å; I131-V136 HydrophobicContact CG2-CG2 3.51Å; P132-V136 PolarHBondContact O-N 2.92Å; S133-V136 PolarHBondContact O-N 3.43Å; V136-K138 PolarHBondContact O-N 3Å; V136-L139 PolarHBondContact O-N 2.68Å; V136-I140 HydrophobicContact CG1-CD1 3.67Å; V136-I140 HydrophobicContact CG1-CG1 4.33Å; V136-I140 VanDerWaalsContact O-CG1 3.31Å; V136-I140 WeakPolarHBondContact O-CG1 3.28Å; V136-I140 PolarHBondContact O-N 2.82Å
137	N	92.7	Very high	93.9	Very high	96 Å²	96	93.8 Å²	93.8	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-41.2	-179.6	-73.3	-40.5	0	0	0	112.6	S133 Q135 L139 N141	S133-N137 PolarHBondContact O-N 2.82Å; S133-N137 VanDerWaalsContact O-N 3.14Å; S133-N137 PolarHBondContact O-ND2 2.92Å; Q135-N137 PolarHBondContact O-N 3.31Å; N137-L139 VanDerWaalsContact C-N 3.35Å; N137-N141 WeakPolarHBondContact O-CB 3.5Å; N137-N141 VanDerWaalsContact O-CG 3.31Å; N137-N141 PolarHBondContact O-N 2.87Å; N137-N141 VanDerWaalsContact O-N 3.08Å; N137-N141 PolarHBondContact O-ND2 2.94Å; N137-N141 VanDerWaalsContact O-ND2 3.09Å
138	K	95	Very high	94.1	Very high	127 Å²	127	90 Å²	90	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-60.6	-44.9	174.8	-74.3	176.5	-174.1	170.9	0	111.3	E134 Q135 V136 N141 L142	E134-K138 WeakPolarHBondContact O-CG 3.43Å; E134-K138 PolarHBondContact O-N 3.28Å; E134-K138 VanDerWaalsContact O-N 3.17Å; E134-K138 VanDerWaalsContact OE1-CE 3.25Å; E134-K138 WeakPolarHBondContact OE1-CE 3.25Å; E134-K138 IonicContact OE1-NZ 2.66Å; E134-K138 PolarHBondContact OE1-NZ 3.34Å; Q135-K138 PolarHBondContact O-N 2.63Å; V136-K138 PolarHBondContact O-N 3Å; K138-N141 PolarHBondContact O-N 3.2Å; K138-L142 WeakPolarHBondContact O-CB 3.37Å; K138-L142 PolarHBondContact O-N 3.4Å
139	L	93.4	Very high	94.3	Very high	109 Å²	109	91.4 Å²	91.4	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-66.4	-43.9	-179.5	-175.3	62.3	0	0	0	112.2	Q135 V136 N137 N141 L142 S143	Q135-L139 WeakPolarHBondContact O-CB 3.36Å; Q135-L139 PolarHBondContact O-N 2.63Å; V136-L139 PolarHBondContact O-N 2.68Å; N137-L139 VanDerWaalsContact C-N 3.35Å; L139-N141 PolarHBondContact O-N 2.95Å; L139-L142 PolarHBondContact O-N 2.9Å; L139-S143 VanDerWaalsContact O-CB 3.25Å; L139-S143 WeakPolarHBondContact O-CB 3.44Å; L139-S143 PolarHBondContact O-N 2.96Å
140	I	95	Very high	94.5	Very high	81 Å²	81	90.5 Å²	90.5	42%	0.415	51%	0.505	S	S	.	.	H	α-helix	trans	-57.9	-50.3	175.7	-70.7	169.7	0	0	0	110.2	V136 L142 S143 N144	V136-I140 HydrophobicContact CG1-CD1 3.67Å; V136-I140 HydrophobicContact CG1-CG1 4.33Å; V136-I140 VanDerWaalsContact O-CG1 3.31Å; V136-I140 WeakPolarHBondContact O-CG1 3.28Å; V136-I140 PolarHBondContact O-N 2.82Å; I140-L142 PolarHBondContact O-N 2.9Å; I140-S143 PolarHBondContact O-N 3.14Å; I140-N144 WeakPolarHBondContact O-CB 3.3Å; I140-N144 VanDerWaalsContact O-CG 3.28Å; I140-N144 PolarHBondContact O-N 2.89Å; I140-N144 PolarHBondContact O-ND2 3.29Å
141	N	95.4	Very high	94.7	Very high	89 Å²	89	92.1 Å²	92.1	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-41.1	-178.4	-73.9	-33.8	0	0	0	112.6	N137 K138 L139 R145	N137-N141 WeakPolarHBondContact O-CB 3.5Å; N137-N141 VanDerWaalsContact O-CG 3.31Å; N137-N141 PolarHBondContact O-N 2.87Å; N137-N141 VanDerWaalsContact O-N 3.08Å; N137-N141 PolarHBondContact O-ND2 2.94Å; N137-N141 VanDerWaalsContact O-ND2 3.09Å; K138-N141 PolarHBondContact O-N 3.2Å; L139-N141 PolarHBondContact O-N 2.95Å; N141-R145 VanDerWaalsContact O-CG 3.31Å; N141-R145 WeakPolarHBondContact O-CG 3.41Å; N141-R145 PolarHBondContact O-N 3.28Å; N141-R145 VanDerWaalsContact O-N 3.15Å
142	L	96.2	Very high	94.9	Very high	114 Å²	114	95 Å²	95	60%	0.597	51%	0.507	S	S	*	.	H	α-helix	trans	-65.9	-43.5	176.6	-170.8	74.1	0	0	0	111.2	K138 L139 I140 R145 A146	K138-L142 WeakPolarHBondContact O-CB 3.37Å; K138-L142 PolarHBondContact O-N 3.4Å; L139-L142 PolarHBondContact O-N 2.9Å; I140-L142 PolarHBondContact O-N 2.9Å; L142-R145 PolarHBondContact O-N 2.83Å; L142-A146 PolarHBondContact O-N 3.34Å
143	S	96.5	Very high	95.1	Very high	58 Å²	58	97.7 Å²	97.7	41%	0.406	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-46.1	179.4	-176.7	0	0	0	0	111.8	L139 I140 R145 A146 I147	L139-S143 VanDerWaalsContact O-CB 3.25Å; L139-S143 WeakPolarHBondContact O-CB 3.44Å; L139-S143 PolarHBondContact O-N 2.96Å; I140-S143 PolarHBondContact O-N 3.14Å; S143-R145 PolarHBondContact O-N 2.95Å; S143-A146 PolarHBondContact O-N 3.24Å; S143-I147 WeakPolarHBondContact O-CG1 3.28Å; S143-I147 PolarHBondContact O-N 3.3Å
144	N	97	Very high	95.4	Very high	80 Å²	80	97.8 Å²	97.8	43%	0.428	51%	0.51	S	S	.	.	H	α-helix	trans	-59.5	-45.6	176.3	-71.6	-16.9	0	0	0	111.4	I140 A146 I147 D148	I140-N144 WeakPolarHBondContact O-CB 3.3Å; I140-N144 VanDerWaalsContact O-CG 3.28Å; I140-N144 PolarHBondContact O-N 2.89Å; I140-N144 PolarHBondContact O-ND2 3.29Å; N144-A146 VanDerWaalsContact C-N 3.33Å; N144-A146 PolarHBondContact O-N 3.33Å; N144-I147 PolarHBondContact O-N 2.66Å; N144-D148 WeakPolarHBondContact O-CB 3.38Å; N144-D148 PolarHBondContact O-N 2.87Å
145	R	96.8	Very high	95.6	Very high	169 Å²	169	95.3 Å²	95.3	64%	0.638	50%	0.501	S	S	*	.	H	α-helix	trans	-59.9	-42.3	175.7	-73	176.9	-166.6	171.3	4	112.5	N141 L142 S143 D148 C149	N141-R145 VanDerWaalsContact O-CG 3.31Å; N141-R145 WeakPolarHBondContact O-CG 3.41Å; N141-R145 PolarHBondContact O-N 3.28Å; N141-R145 VanDerWaalsContact O-N 3.15Å; L142-R145 PolarHBondContact O-N 2.83Å; S143-R145 PolarHBondContact O-N 2.95Å; R145-D148 PolarHBondContact O-N 3.13Å; R145-C149 WeakPolarHBondContact O-CB 3.33Å; R145-C149 PolarHBondContact O-N 3.41Å; R145-C149 PolarHBondContact O-SG 3.49Å
146	A	96.5	Very high	95.8	Very high	56 Å²	56	94.6 Å²	94.6	46%	0.463	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-45.6	178.1	0	0	0	0	0	111.3	L142 S143 N144 D148 C149 S150	L142-A146 PolarHBondContact O-N 3.34Å; S143-A146 PolarHBondContact O-N 3.24Å; N144-A146 VanDerWaalsContact C-N 3.33Å; N144-A146 PolarHBondContact O-N 3.33Å; A146-D148 PolarHBondContact O-N 3.04Å; A146-C149 PolarHBondContact O-N 3.23Å; A146-S150 PolarHBondContact O-N 2.92Å; A146-S150 PolarHBondContact O-OG 3.17Å; A146-S150 VanDerWaalsContact O-OG 3.12Å
147	I	97.2	Very high	95.9	Very high	95 Å²	95	96.9 Å²	96.9	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-60.3	-46.4	176.1	-67.5	165.6	0	0	0	110.5	S143 N144 C149 S150 L151	S143-I147 WeakPolarHBondContact O-CG1 3.28Å; S143-I147 PolarHBondContact O-N 3.3Å; N144-I147 PolarHBondContact O-N 2.66Å; I147-C149 PolarHBondContact O-N 2.97Å; I147-S150 PolarHBondContact O-N 3.35Å; I147-L151 VanDerWaalsContact O-CB 3.25Å; I147-L151 WeakPolarHBondContact O-CB 3.44Å; I147-L151 PolarHBondContact O-N 3.05Å
148	D	96.6	Very high	96	Very high	89 Å²	89	97.9 Å²	97.9	48%	0.476	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-41.3	179.5	-71.2	-24.8	0	0	0	112.2	N144 R145 A146 K152	N144-D148 WeakPolarHBondContact O-CB 3.38Å; N144-D148 PolarHBondContact O-N 2.87Å; R145-D148 PolarHBondContact O-N 3.13Å; A146-D148 PolarHBondContact O-N 3.04Å; D148-K152 VanDerWaalsContact O-CG 3.3Å; D148-K152 WeakPolarHBondContact O-CG 3.5Å; D148-K152 PolarHBondContact O-N 2.78Å
149	C	96.3	Very high	96	Very high	82 Å²	82	97.6 Å²	97.6	55%	0.554	51%	0.511	S	S	*	.	H	α-helix	trans	-63.1	-49.3	175.3	-74.5	0	0	0	0	111.5	R145 A146 I147 L151 K152 E153	R145-C149 WeakPolarHBondContact O-CB 3.33Å; R145-C149 PolarHBondContact O-N 3.41Å; R145-C149 PolarHBondContact O-SG 3.49Å; A146-C149 PolarHBondContact O-N 3.23Å; I147-C149 PolarHBondContact O-N 2.97Å; C149-L151 VanDerWaalsContact C-N 3.32Å; C149-L151 PolarHBondContact O-N 3.4Å; C149-K152 WeakPolarHBondContact O-CB 3.47Å; C149-K152 PolarHBondContact O-N 3.34Å; C149-E153 PolarHBondContact O-N 3.43Å
150	S	96.7	Very high	96	Very high	67 Å²	67	97.1 Å²	97.1	47%	0.469	51%	0.509	S	S	.	.	H	α-helix	trans	-63.1	-39	178.5	-59.6	0	0	0	0	112	A146 I147 K152 E153 V154	A146-S150 PolarHBondContact O-N 2.92Å; A146-S150 PolarHBondContact O-OG 3.17Å; A146-S150 VanDerWaalsContact O-OG 3.12Å; I147-S150 PolarHBondContact O-N 3.35Å; S150-K152 VanDerWaalsContact C-N 3.33Å; S150-K152 PolarHBondContact O-N 3.22Å; S150-E153 PolarHBondContact O-N 2.63Å; S150-V154 WeakPolarHBondContact O-CG2 3.41Å; S150-V154 PolarHBondContact O-N 3.03Å
151	L	96.8	Very high	95.8	Very high	97 Å²	97	98.8 Å²	98.8	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-65.8	-36.9	177.5	-174.4	143.9	0	0	0	111.6	I147 C149 N155	I147-L151 VanDerWaalsContact O-CB 3.25Å; I147-L151 WeakPolarHBondContact O-CB 3.44Å; I147-L151 PolarHBondContact O-N 3.05Å; C149-L151 VanDerWaalsContact C-N 3.32Å; C149-L151 PolarHBondContact O-N 3.4Å; L151-N155 WeakPolarHBondContact CD2-ND2 3.33Å; L151-N155 WeakPolarHBondContact O-CB 3.39Å; L151-N155 VanDerWaalsContact O-CG 3.28Å; L151-N155 PolarHBondContact O-N 3.27Å; L151-N155 PolarHBondContact O-ND2 3.43Å
152	K	96.3	Very high	95.6	Very high	137 Å²	137	99.5 Å²	99.5	60%	0.596	52%	0.519	S	S	*	.	H	α-helix	trans	-62.6	-45.9	171.8	-74.4	171.9	-175.1	177.7	0	111.7	D148 C149 S150 N155 L156	D148-K152 VanDerWaalsContact O-CG 3.3Å; D148-K152 WeakPolarHBondContact O-CG 3.5Å; D148-K152 PolarHBondContact O-N 2.78Å; C149-K152 WeakPolarHBondContact O-CB 3.47Å; C149-K152 PolarHBondContact O-N 3.34Å; S150-K152 VanDerWaalsContact C-N 3.33Å; S150-K152 PolarHBondContact O-N 3.22Å; K152-N155 PolarHBondContact O-N 3.15Å; K152-L156 WeakPolarHBondContact O-CG 3.35Å; K152-L156 PolarHBondContact O-N 3.31Å
153	E	96.8	Very high	95.3	Very high	125 Å²	125	96.6 Å²	96.6	58%	0.584	51%	0.511	S	S	*	.	H	α-helix	trans	-61.7	-46.4	178.1	-173.1	177.2	-176.6	0	0	111.8	C149 S150 N155 L156 L157	C149-E153 PolarHBondContact O-N 3.43Å; S150-E153 PolarHBondContact O-N 2.63Å; E153-N155 VanDerWaalsContact C-N 3.3Å; E153-N155 PolarHBondContact O-N 3.15Å; E153-L156 PolarHBondContact O-N 3.18Å; E153-L157 HydrophobicContact CG-CD1 4.35Å; E153-L157 WeakPolarHBondContact O-CG 3.36Å; E153-L157 PolarHBondContact O-N 3.41Å
154	V	96.7	Very high	94.9	Very high	94 Å²	94	98 Å²	98	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-59.7	-40.7	175.6	170.2	0	0	0	0	111.6	S150 K158	S150-V154 WeakPolarHBondContact O-CG2 3.41Å; S150-V154 PolarHBondContact O-N 3.03Å; V154-K158 WeakPolarHBondContact O-CB 3.26Å; V154-K158 PolarHBondContact O-N 3.39Å
155	N	95.6	Very high	94.2	Very high	72 Å²	72	100.7 Å²	100.7	39%	0.385	52%	0.522	S	S	.	.	H	α-helix	trans	-68.4	-37.1	177	-77.3	-39.3	0	0	0	112.8	L151 K152 E153 K158 Q159	L151-N155 WeakPolarHBondContact CD2-ND2 3.33Å; L151-N155 WeakPolarHBondContact O-CB 3.39Å; L151-N155 VanDerWaalsContact O-CG 3.28Å; L151-N155 PolarHBondContact O-N 3.27Å; L151-N155 PolarHBondContact O-ND2 3.43Å; K152-N155 PolarHBondContact O-N 3.15Å; E153-N155 VanDerWaalsContact C-N 3.3Å; E153-N155 PolarHBondContact O-N 3.15Å; N155-K158 PolarHBondContact O-N 2.94Å; N155-Q159 WeakPolarHBondContact O-CG 3.36Å; N155-Q159 PolarHBondContact O-N 3.08Å
156	L	95.8	Very high	93.5	Very high	101 Å²	101	95.5 Å²	95.5	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-48.6	173.8	-72.6	170.3	0	0	0	110.8	K152 E153 K158 Q159 D160	K152-L156 WeakPolarHBondContact O-CG 3.35Å; K152-L156 PolarHBondContact O-N 3.31Å; E153-L156 PolarHBondContact O-N 3.18Å; L156-K158 VanDerWaalsContact C-N 3.26Å; L156-K158 PolarHBondContact O-N 3.26Å; L156-Q159 WeakPolarHBondContact O-CB 3.49Å; L156-Q159 PolarHBondContact O-N 3.03Å; L156-D160 PolarHBondContact O-N 3.26Å
157	L	94.9	Very high	92.7	Very high	96 Å²	96	97 Å²	97	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-58.3	-38.8	175.8	-72.1	170.6	0	0	0	112.3	E153 D160 L161	E153-L157 HydrophobicContact CG-CD1 4.35Å; E153-L157 WeakPolarHBondContact O-CG 3.36Å; E153-L157 PolarHBondContact O-N 3.41Å; L157-D160 PolarHBondContact O-N 3.46Å; L157-L161 WeakPolarHBondContact O-CB 3.16Å; L157-L161 VanDerWaalsContact O-CG 3.29Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 2.77Å
158	K	94.4	Very high	91.7	Very high	118 Å²	118	100.6 Å²	100.6	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-44.8	174	-179	-175.6	168.2	-173.8	0	111.5	V154 N155 L156 L161 E162	V154-K158 WeakPolarHBondContact O-CB 3.26Å; V154-K158 PolarHBondContact O-N 3.39Å; N155-K158 PolarHBondContact O-N 2.94Å; L156-K158 VanDerWaalsContact C-N 3.26Å; L156-K158 PolarHBondContact O-N 3.26Å; K158-L161 PolarHBondContact O-N 2.89Å; K158-E162 WeakPolarHBondContact CE-OE1 3.41Å; K158-E162 IonicContact NZ-OE1 2.69Å; K158-E162 WeakPolarHBondContact O-CG 3.32Å; K158-E162 PolarHBondContact O-N 3.31Å
159	Q	94.5	Very high	90.5	Very high	120 Å²	120	102.4 Å²	102.4	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-64.2	-42.6	178.3	-72.2	173.9	12.7	0	0	111.8	N155 L156 L161 E162 A163	N155-Q159 WeakPolarHBondContact O-CG 3.36Å; N155-Q159 PolarHBondContact O-N 3.08Å; L156-Q159 WeakPolarHBondContact O-CB 3.49Å; L156-Q159 PolarHBondContact O-N 3.03Å; Q159-L161 PolarHBondContact O-N 2.93Å; Q159-E162 PolarHBondContact O-N 3.23Å; Q159-A163 WeakPolarHBondContact O-CB 3.3Å; Q159-A163 PolarHBondContact O-N 3.31Å
160	D	93.1	Very high	89	Confident	99 Å²	99	104.3 Å²	104.3	53%	0.529	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177	-68.5	-19.6	0	0	0	111.4	L156 L157 A163 D164	L156-D160 PolarHBondContact O-N 3.26Å; L157-D160 PolarHBondContact O-N 3.46Å; D160-A163 PolarHBondContact O-N 3.4Å; D160-D164 WeakPolarHBondContact O-CB 3.04Å; D160-D164 PolarHBondContact O-N 2.83Å
161	L	91.8	Very high	87.4	Confident	117 Å²	117	109.1 Å²	109.1	61%	0.613	54%	0.542	S	S	*	.	H	α-helix	trans	-64.6	-39	175.6	-73.3	172.7	0	0	0	112.7	L157 K158 Q159 F165	L157-L161 WeakPolarHBondContact O-CB 3.16Å; L157-L161 VanDerWaalsContact O-CG 3.29Å; L157-L161 WeakPolarHBondContact O-CG 3.44Å; L157-L161 PolarHBondContact O-N 2.77Å; K158-L161 PolarHBondContact O-N 2.89Å; Q159-L161 PolarHBondContact O-N 2.93Å; L161-F165 WeakPolarHBondContact O-CB 3.39Å; L161-F165 PolarHBondContact O-N 2.9Å
162	E	91.7	Very high	85.6	Confident	104 Å²	104	110.7 Å²	110.7	49%	0.486	55%	0.55	S	S	.	.	H	α-helix	trans	-67	-37.2	175.7	-75.2	174.5	172.7	0	0	111.8	K158 Q159 S166	K158-E162 WeakPolarHBondContact CE-OE1 3.41Å; K158-E162 IonicContact NZ-OE1 2.69Å; K158-E162 WeakPolarHBondContact O-CG 3.32Å; K158-E162 PolarHBondContact O-N 3.31Å; Q159-E162 PolarHBondContact O-N 3.23Å; E162-S166 PolarHBondContact O-N 3.37Å; E162-S166 VanDerWaalsContact O-N 3.09Å; E162-S166 PolarHBondContact O-OG 3.45Å
163	A	89.8	Confident	83.8	Confident	52 Å²	52	108.8 Å²	108.8	43%	0.43	55%	0.553	S	S	.	*	H	α-helix	trans	-66	-47.7	173.7	0	0	0	0	0	111.8	Q159 D160 F165 S166 D167	Q159-A163 WeakPolarHBondContact O-CB 3.3Å; Q159-A163 PolarHBondContact O-N 3.31Å; D160-A163 PolarHBondContact O-N 3.4Å; A163-F165 VanDerWaalsContact C-N 3.28Å; A163-F165 PolarHBondContact O-N 3.49Å; A163-S166 WeakPolarHBondContact O-CB 3.46Å; A163-S166 PolarHBondContact O-N 2.85Å; A163-S166 VanDerWaalsContact O-N 3.14Å; A163-D167 PolarHBondContact O-N 2.89Å
164	D	86.7	Confident	82.1	Confident	88 Å²	88	108.1 Å²	108.1	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-58.3	-39.4	175.4	-88.5	-7.3	0	0	0	112.3	D160 R168	D160-D164 WeakPolarHBondContact O-CB 3.04Å; D160-D164 PolarHBondContact O-N 2.83Å; D164-R168 VanDerWaalsContact O-CG 3.29Å; D164-R168 WeakPolarHBondContact O-CG 3.46Å; D164-R168 PolarHBondContact O-N 3.23Å
165	F	83	Confident	80.7	Confident	137 Å²	137	107.2 Å²	107.2	60%	0.601	55%	0.554	S	S	*	*	H	α-helix	trans	-66.5	-40.9	177.6	-143.8	-87.1	0	0	0	111.6	L161 A163 R168 Q169	L161-F165 WeakPolarHBondContact O-CB 3.39Å; L161-F165 PolarHBondContact O-N 2.9Å; A163-F165 VanDerWaalsContact C-N 3.28Å; A163-F165 PolarHBondContact O-N 3.49Å; F165-R168 PolarHBondContact O-N 3.13Å; F165-Q169 PolarHBondContact O-N 3.48Å
166	S	81.9	Confident	79.7	Confident	60 Å²	60	109.7 Å²	109.7	42%	0.42	57%	0.567	S	S	.	*	H	α-helix	trans	-65.6	-42.9	177.3	-57.5	0	0	0	0	111.6	E162 A163 R168 Q169 N170	E162-S166 PolarHBondContact O-N 3.37Å; E162-S166 VanDerWaalsContact O-N 3.09Å; E162-S166 PolarHBondContact O-OG 3.45Å; A163-S166 WeakPolarHBondContact O-CB 3.46Å; A163-S166 PolarHBondContact O-N 2.85Å; A163-S166 VanDerWaalsContact O-N 3.14Å; S166-R168 PolarHBondContact O-N 3.13Å; S166-Q169 PolarHBondContact O-N 3.35Å; S166-N170 PolarHBondContact O-N 3.2Å; S166-N170 PolarHBondContact O-ND2 3.28Å
167	D	79.9	Confident	78.8	Confident	87 Å²	87	110 Å²	110	47%	0.465	57%	0.57	S	S	.	*	H	α-helix	trans	-63.9	-38	176	-89.8	1.9	0	0	0	112.7	A163 N170 K171	A163-D167 PolarHBondContact O-N 2.89Å; D167-N170 PolarHBondContact O-N 3.29Å; D167-K171 WeakPolarHBondContact O-CG 3.37Å; D167-K171 PolarHBondContact O-N 3.38Å
168	R	75.6	Confident	78	Confident	171 Å²	171	110.3 Å²	110.3	65%	0.645	57%	0.572	S	S	*	*	H	α-helix	trans	-65.8	-43.1	174.1	-73.2	175.9	-169.4	-144.7	5.1	111.6	D164 F165 S166 N170 K171 I172	D164-R168 VanDerWaalsContact O-CG 3.29Å; D164-R168 WeakPolarHBondContact O-CG 3.46Å; D164-R168 PolarHBondContact O-N 3.23Å; F165-R168 PolarHBondContact O-N 3.13Å; S166-R168 PolarHBondContact O-N 3.13Å; R168-N170 VanDerWaalsContact C-N 3.3Å; R168-N170 PolarHBondContact O-N 2.92Å; R168-K171 PolarHBondContact O-N 2.75Å; R168-I172 VanDerWaalsContact O-CD1 3.26Å; R168-I172 WeakPolarHBondContact O-CD1 3.38Å; R168-I172 WeakPolarHBondContact O-CG1 3.41Å; R168-I172 PolarHBondContact O-N 3.35Å; R168-I172 VanDerWaalsContact O-N 3.13Å
169	Q	71.4	Confident	77.3	Confident	127 Å²	127	109.5 Å²	109.5	59%	0.593	57%	0.572	S	S	*	*	H	α-helix	trans	-60.9	-40.7	175.8	-76	-175.6	-16.9	0	0	111.8	F165 S166 K171 I172	F165-Q169 PolarHBondContact O-N 3.48Å; S166-Q169 PolarHBondContact O-N 3.35Å; Q169-K171 VanDerWaalsContact C-N 3.34Å; Q169-K171 PolarHBondContact O-N 3.07Å; Q169-I172 PolarHBondContact O-N 3.31Å
170	N	66.4	Low	76.7	Confident	122 Å²	122	106.9 Å²	106.9	65%	0.652	57%	0.565	S	S	*	*	H	α-helix	trans	-66.6	-33.2	176.9	-70.9	-26.5	0	0	0	113	S166 D167 R168	S166-N170 PolarHBondContact O-N 3.2Å; S166-N170 PolarHBondContact O-ND2 3.28Å; D167-N170 PolarHBondContact O-N 3.29Å; R168-N170 VanDerWaalsContact C-N 3.3Å; R168-N170 PolarHBondContact O-N 2.92Å
171	K	62	Low	76.1	Confident	167 Å²	167	105.7 Å²	105.7	73%	0.726	56%	0.561	S	S	*	*	H	α-helix	trans	-81.3	-13.5	178.4	-71.3	174.9	-174.1	173.1	0	114.5	D167 R168 Q169 S173	D167-K171 WeakPolarHBondContact O-CG 3.37Å; D167-K171 PolarHBondContact O-N 3.38Å; R168-K171 PolarHBondContact O-N 2.75Å; Q169-K171 VanDerWaalsContact C-N 3.34Å; Q169-K171 PolarHBondContact O-N 3.07Å; K171-S173 PolarHBondContact O-N 3.28Å
172	I	59.7	Low	75.5	Confident	131 Å²	131	105 Å²	105	67%	0.672	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	9.3	177.7	-64.2	159.3	0	0	0	111.9	R168 Q169 S174	R168-I172 VanDerWaalsContact O-CD1 3.26Å; R168-I172 WeakPolarHBondContact O-CD1 3.38Å; R168-I172 WeakPolarHBondContact O-CG1 3.41Å; R168-I172 PolarHBondContact O-N 3.35Å; R168-I172 VanDerWaalsContact O-N 3.13Å; Q169-I172 PolarHBondContact O-N 3.31Å; I172-S174 PolarHBondContact O-N 3.31Å
173	S	58.1	Low	75	Confident	96 Å²	96	104 Å²	104	67%	0.671	55%	0.554	S	S	*	*			trans	-62.3	99.1	163.7	179.9	0	0	0	0	109	K171 N175	K171-S173 PolarHBondContact O-N 3.28Å; S173-N175 PolarHBondContact O-N 2.83Å
174	S	60.4	Low	74.6	Confident	112 Å²	112	105.7 Å²	105.7	78%	0.783	56%	0.556	S	S	*	*			trans	-57.1	105.5	174.2	38.8	0	0	0	0	109	I172 L176	I172-S174 PolarHBondContact O-N 3.31Å; S174-L176 PolarHBondContact O-N 3.35Å; S174-L176 VanDerWaalsContact O-N 3.1Å
175	N	69	Low	74.3	Confident	74 Å²	74	105.2 Å²	105.2	40%	0.396	55%	0.553	S	S	.	*			trans	-69.1	108.6	174.2	-175.3	6.4	0	0	0	108.3	S173 D177 D178 L179	S173-N175 PolarHBondContact O-N 2.83Å; N175-D177 PolarHBondContact O-N 3.38Å; N175-D177 WeakPolarHBondContact OD1-CB 3.43Å; N175-D177 PolarHBondContact OD1-N 3.37Å; N175-D178 HydrophobicContact CB-CB 4.16Å; N175-D178 WeakPolarHBondContact CB-OD2 3.4Å; N175-D178 VanDerWaalsContact ND2-CG 3.27Å; N175-D178 PolarHBondContact ND2-OD2 3.34Å; N175-D178 PolarHBondContact O-N 2.92Å; N175-D178 VanDerWaalsContact O-N 3.15Å; N175-L179 PolarHBondContact O-N 3.42Å
176	L	73.8	Confident	74.1	Confident	124 Å²	124	104.6 Å²	104.6	65%	0.649	55%	0.554	S	S	*	*	H	α-helix	trans	-59.3	-29.1	-179.7	-166.9	71.1	0	0	0	111.4	S174 L179 T180	S174-L176 PolarHBondContact O-N 3.35Å; S174-L176 VanDerWaalsContact O-N 3.1Å; L176-L179 HydrophobicContact CD1-CD2 4.42Å; L176-L179 PolarHBondContact O-N 3.1Å; L176-T180 PolarHBondContact O-N 3Å; L176-T180 PolarHBondContact O-OG1 3.5Å
177	D	77.4	Confident	74.1	Confident	109 Å²	109	105.2 Å²	105.2	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-70.1	-37.3	178.7	-64.1	-25.3	0	0	0	112	N175 T180 T181	N175-D177 PolarHBondContact O-N 3.38Å; N175-D177 WeakPolarHBondContact OD1-CB 3.43Å; N175-D177 PolarHBondContact OD1-N 3.37Å; D177-T180 VanDerWaalsContact CA-OG1 3.26Å; D177-T180 WeakPolarHBondContact CA-OG1 3.23Å; D177-T180 PolarHBondContact O-N 3.07Å; D177-T180 PolarHBondContact O-OG1 3.01Å; D177-T181 WeakPolarHBondContact O-CB 3.47Å; D177-T181 PolarHBondContact O-N 2.93Å; D177-T181 PolarHBondContact O-OG1 2.91Å
178	D	78.1	Confident	73.7	Confident	102 Å²	102	107.5 Å²	107.5	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-68.7	-39.8	176.1	-70.1	-29.4	0	0	0	110.6	N175 T181 L182	N175-D178 HydrophobicContact CB-CB 4.16Å; N175-D178 WeakPolarHBondContact CB-OD2 3.4Å; N175-D178 VanDerWaalsContact ND2-CG 3.27Å; N175-D178 PolarHBondContact ND2-OD2 3.34Å; N175-D178 PolarHBondContact O-N 2.92Å; N175-D178 VanDerWaalsContact O-N 3.15Å; D178-T181 PolarHBondContact O-N 2.91Å; D178-L182 WeakPolarHBondContact O-CB 3.35Å; D178-L182 PolarHBondContact O-N 3.06Å
179	L	79.7	Confident	72.9	Confident	101 Å²	101	108.8 Å²	108.8	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-61.2	-47.5	173.7	-172.5	90.4	0	0	0	111.1	N175 L176 T181 L182 I183	N175-L179 PolarHBondContact O-N 3.42Å; L176-L179 HydrophobicContact CD1-CD2 4.42Å; L176-L179 PolarHBondContact O-N 3.1Å; L179-T181 VanDerWaalsContact C-N 3.33Å; L179-T181 PolarHBondContact O-N 3.34Å; L179-L182 PolarHBondContact O-N 3.44Å; L179-I183 HydrophobicContact CD2-CD1 4.13Å; L179-I183 HydrophobicContact CG-CD1 4.04Å; L179-I183 VanDerWaalsContact O-CG1 3.28Å; L179-I183 WeakPolarHBondContact O-CG1 3Å; L179-I183 PolarHBondContact O-N 3.4Å
180	T	81.5	Confident	72.2	Confident	65 Å²	65	110.7 Å²	110.7	40%	0.399	58%	0.583	S	S	.	*	H	α-helix	trans	-65	-37.6	178.3	23.2	0	0	0	0	111.8	L176 D177 I183 N184	L176-T180 PolarHBondContact O-N 3Å; L176-T180 PolarHBondContact O-OG1 3.5Å; D177-T180 VanDerWaalsContact CA-OG1 3.26Å; D177-T180 WeakPolarHBondContact CA-OG1 3.23Å; D177-T180 PolarHBondContact O-N 3.07Å; D177-T180 PolarHBondContact O-OG1 3.01Å; T180-I183 PolarHBondContact O-N 3.03Å; T180-N184 WeakPolarHBondContact O-CB 3.37Å; T180-N184 VanDerWaalsContact O-CG 3.3Å; T180-N184 PolarHBondContact O-N 3.32Å; T180-N184 PolarHBondContact O-ND2 3Å
181	T	81.2	Confident	71.8	Confident	74 Å²	74	107 Å²	107	45%	0.454	57%	0.574	S	S	.	*	H	α-helix	trans	-62.1	-44.8	174.5	-58.6	0	0	0	0	111.3	D177 D178 L179 N184 I185	D177-T181 WeakPolarHBondContact O-CB 3.47Å; D177-T181 PolarHBondContact O-N 2.93Å; D177-T181 PolarHBondContact O-OG1 2.91Å; D178-T181 PolarHBondContact O-N 2.91Å; L179-T181 VanDerWaalsContact C-N 3.33Å; L179-T181 PolarHBondContact O-N 3.34Å; T181-N184 PolarHBondContact O-N 2.96Å; T181-I185 HydrophobicContact CG2-CD1 4.04Å; T181-I185 VanDerWaalsContact O-CG1 3.3Å; T181-I185 WeakPolarHBondContact O-CG1 3.36Å; T181-I185 PolarHBondContact O-N 2.88Å
182	L	79.2	Confident	71.6	Confident	103 Å²	103	104.5 Å²	104.5	54%	0.539	58%	0.575	S	S	.	*	H	α-helix	trans	-62.3	-45.3	175.2	-111.7	159.5	0	0	0	112.2	D178 L179 N184 I185 I186	D178-L182 WeakPolarHBondContact O-CB 3.35Å; D178-L182 PolarHBondContact O-N 3.06Å; L179-L182 PolarHBondContact O-N 3.44Å; L182-N184 VanDerWaalsContact C-N 3.29Å; L182-N184 PolarHBondContact O-N 3.26Å; L182-I185 PolarHBondContact O-N 3.06Å; L182-I186 HydrophobicContact CD2-CD1 3.98Å; L182-I186 VanDerWaalsContact O-CG1 3.28Å; L182-I186 WeakPolarHBondContact O-CG1 3.34Å; L182-I186 PolarHBondContact O-N 2.86Å
183	I	81.2	Confident	71.1	Confident	82 Å²	82	104.9 Å²	104.9	42%	0.421	58%	0.578	S	S	.	*	H	α-helix	trans	-59.6	-42.3	176	-69.3	169.2	0	0	0	110.4	L179 T180 I186 S187	L179-I183 HydrophobicContact CD2-CD1 4.13Å; L179-I183 HydrophobicContact CG-CD1 4.04Å; L179-I183 VanDerWaalsContact O-CG1 3.28Å; L179-I183 WeakPolarHBondContact O-CG1 3Å; L179-I183 PolarHBondContact O-N 3.4Å; T180-I183 PolarHBondContact O-N 3.03Å; I183-I186 PolarHBondContact O-N 3.23Å; I183-S187 WeakPolarHBondContact O-CB 3.4Å; I183-S187 PolarHBondContact O-N 2.95Å; I183-S187 PolarHBondContact O-OG 3.02Å
184	N	80.2	Confident	70.7	Confident	87 Å²	87	107.1 Å²	107.1	47%	0.465	59%	0.588	S	S	.	*	H	α-helix	trans	-65.8	-40.8	177.6	-77.3	-26.3	0	0	0	112.4	T180 T181 L182 H188	T180-N184 WeakPolarHBondContact O-CB 3.37Å; T180-N184 VanDerWaalsContact O-CG 3.3Å; T180-N184 PolarHBondContact O-N 3.32Å; T180-N184 PolarHBondContact O-ND2 3Å; T181-N184 PolarHBondContact O-N 2.96Å; L182-N184 VanDerWaalsContact C-N 3.29Å; L182-N184 PolarHBondContact O-N 3.26Å; N184-H188 WeakPolarHBondContact O-CB 3.21Å; N184-H188 PolarHBondContact O-N 3.3Å
185	I	79.8	Confident	69.8	Low	78 Å²	78	105.7 Å²	105.7	40%	0.4	58%	0.578	S	S	.	*	H	α-helix	trans	-62.9	-44.8	175.9	-69.4	165.4	0	0	0	110.7	T181 L182 K189	T181-I185 HydrophobicContact CG2-CD1 4.04Å; T181-I185 VanDerWaalsContact O-CG1 3.3Å; T181-I185 WeakPolarHBondContact O-CG1 3.36Å; T181-I185 PolarHBondContact O-N 2.88Å; L182-I185 PolarHBondContact O-N 3.06Å; I185-K189 WeakPolarHBondContact O-CA 3.13Å; I185-K189 PolarHBondContact O-N 2.87Å; I185-K189 VanDerWaalsContact O-N 3.1Å
186	I	80.6	Confident	68.4	Low	124 Å²	124	109.9 Å²	109.9	64%	0.636	60%	0.6	S	S	*	*	H	α-helix	trans	-68.3	-43.5	-179.9	-66.7	165.7	0	0	0	111.1	L182 I183	L182-I186 HydrophobicContact CD2-CD1 3.98Å; L182-I186 VanDerWaalsContact O-CG1 3.28Å; L182-I186 WeakPolarHBondContact O-CG1 3.34Å; L182-I186 PolarHBondContact O-N 2.86Å; I183-I186 PolarHBondContact O-N 3.23Å
187	S	80.1	Confident	66.5	Low	73 Å²	73	115.7 Å²	115.7	51%	0.51	63%	0.631	S	S	.	*	H	α-helix	trans	-78.9	-33.6	-173.4	-54.5	0	0	0	0	113.1	I183	I183-S187 WeakPolarHBondContact O-CB 3.4Å; I183-S187 PolarHBondContact O-N 2.95Å; I183-S187 PolarHBondContact O-OG 3.02Å
188	H	72.9	Confident	66	Low	136 Å²	136	116 Å²	116	63%	0.63	63%	0.633	S	S	*	*	H	α-helix	trans	-115	-2.3	-171	-64	-45.6	0	0	0	114.9	N184 K190	N184-H188 WeakPolarHBondContact O-CB 3.21Å; N184-H188 PolarHBondContact O-N 3.3Å; H188-K190 PolarHBondContact O-N 3.05Å
189	K	58.8	Low	65.3	Low	198 Å²	198	116.7 Å²	116.7	86%	0.861	64%	0.638	S	S	*	*			trans	46.1	21.6	179.7	-73.9	-167.5	177.8	-176.8	0	114.8	I185	I185-K189 WeakPolarHBondContact O-CA 3.13Å; I185-K189 PolarHBondContact O-N 2.87Å; I185-K189 VanDerWaalsContact O-N 3.1Å
190	K	55.6	Low	64.5	Low	167 Å²	167	117.6 Å²	117.6	73%	0.726	64%	0.644	S	S	*	*			trans	-101.4	103	172.9	-94.8	-179.2	170.9	177.9	0	107.5	H188	H188-K190 PolarHBondContact O-N 3.05Å
191	G	58.5	Low	63.5	Low	45 Å²	45	120.7 Å²	120.7	46%	0.464	66%	0.658	S	S	.	*			trans	-61.9	159.1	163.7	0	0	0	0	0	110.5	N193	G191-N193 PolarHBondContact O-N 3.13Å
192	P	58.4	Low	62.4	Low	113 Å²	113	123.6 Å²	123.6	73%	0.734	67%	0.671	S	S	*	*			trans	-58.1	123.5	178.9	23.7	-31.9	0	0	0	109.6	T194	P192-T194 PolarHBondContact O-N 3.02Å
193	N	49.5	Very low	61.3	Low	139 Å²	139	125 Å²	125	74%	0.743	68%	0.68	S	S	*	*			trans	-61.8	102	170.3	-80.6	-21.9	0	0	0	107.8	G191 S195	G191-N193 PolarHBondContact O-N 3.13Å; N193-S195 PolarHBondContact O-N 3.01Å
194	T	49.4	Very low	59.9	Low	144 Å²	144	128.1 Å²	128.1	88%	0.883	70%	0.698	S	S	*	*			trans	-71	76.3	161.3	53.2	0	0	0	0	107.7	P192	P192-T194 PolarHBondContact O-N 3.02Å
195	S	40.5	Very low	58.3	Low	81 Å²	81	131.2 Å²	131.2	57%	0.566	72%	0.716	S	S	*	*			trans	-128.5	81.5	167.3	53.6	0	0	0	0	106.4	N193	N193-S195 PolarHBondContact O-N 3.01Å
196	N	40.5	Very low	56.5	Low	162 Å²	162	135.7 Å²	135.7	87%	0.866	74%	0.742	S	S	*	*			trans	-171.2	109.7	143.9	-85.5	-20.7	0	0	0	108.1
197	L	33.4	Very low	54.3	Low	246 Å²	246	136.7 Å²	136.7	100%	1.288	75%	0.752	S	S	*	*			trans	-54.3	0	135.5	-90.9	142.6	0	0	0	109.5

Retrieved 197 of 197 residues in 59.9 ms (Link to these results)

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