A0A2K5LC90_CERAT Loading...

Guanosine-3',5'-bis(diphosphate) 3'-pyrophosphohydrolase MESH1

ppGpp hydrolyzing enzyme involved in starvation response.

AlphaFold DB , UniProt , Accession A0A2K5LC90, Species CERAT (Cercocebus atys, Sooty mangabey), Gene HDDC3, Length 179 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	56.3	Low	92.5	Very high	238 Å²	238	83.5 Å²	83.5	100%	1.172	48%	0.482	S	S	*	.				0	124.9	0	-75.4	179.1	-83.9	0	0	107
2	G	79.4	Confident	93.1	Very high	52 Å²	52	78.8 Å²	78.8	54%	0.536	46%	0.459	S	S	.	.			trans	-70.1	178.8	177.7	0	0	0	0	0	111.8
3	S	95.9	Very high	93.5	Very high	76 Å²	76	78.9 Å²	78.9	53%	0.531	46%	0.457	S	S	.	.			trans	-68.2	157.3	172.4	61.1	0	0	0	0	111.4	A5 A6 Q7	S3-A5 PolarHBondContact O-N 3.47Å; S3-A6 WeakPolarHBondContact O-CA 3.17Å; S3-A6 WeakPolarHBondContact O-CB 3.39Å; S3-A6 PolarHBondContact O-N 3.17Å; S3-A6 PolarHBondContact OG-N 3.39Å; S3-Q7 WeakPolarHBondContact O-CG 3.34Å; S3-Q7 PolarHBondContact O-N 2.91Å
4	E	96.5	Very high	93.9	Very high	124 Å²	124	73.3 Å²	73.3	58%	0.579	43%	0.425	S	S	*	.	H	α-helix	trans	-55.4	-38.1	174.8	-69.4	-173.9	150.7	0	0	112	A6 Q7 L8	E4-A6 PolarHBondContact O-N 3.13Å; E4-Q7 PolarHBondContact O-N 2.88Å; E4-L8 PolarHBondContact O-N 3.05Å
5	A	98.1	Very high	94.2	Very high	59 Å²	59	68.4 Å²	68.4	49%	0.488	40%	0.396	S	S	.	.	H	α-helix	trans	-59.9	-44.7	174.5	0	0	0	0	0	111.9	S3 Q7 L8 L9	S3-A5 PolarHBondContact O-N 3.47Å; A5-Q7 VanDerWaalsContact C-N 3.34Å; A5-L8 PolarHBondContact O-N 2.75Å; A5-L9 WeakPolarHBondContact O-CB 3.25Å; A5-L9 VanDerWaalsContact O-CG 3.24Å; A5-L9 WeakPolarHBondContact O-CG 3.39Å; A5-L9 PolarHBondContact O-N 2.62Å
6	A	98.3	Very high	94.5	Very high	45 Å²	45	66.4 Å²	66.4	37%	0.372	39%	0.39	S	S	.	.	H	α-helix	trans	-64.3	-40.3	176.6	0	0	0	0	0	111.6	S3 E4 L9 E10	S3-A6 WeakPolarHBondContact O-CA 3.17Å; S3-A6 WeakPolarHBondContact O-CB 3.39Å; S3-A6 PolarHBondContact O-N 3.17Å; S3-A6 PolarHBondContact OG-N 3.39Å; E4-A6 PolarHBondContact O-N 3.13Å; A6-L9 PolarHBondContact O-N 2.95Å; A6-E10 WeakPolarHBondContact O-CB 3.42Å; A6-E10 PolarHBondContact O-N 3.33Å
7	Q	98.5	Very high	94.8	Very high	56 Å²	56	68.5 Å²	68.5	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-40.8	178.2	-68.8	174.3	-89.5	0	0	112.7	S3 E4 A5 A11 I52 Q56	S3-Q7 WeakPolarHBondContact O-CG 3.34Å; S3-Q7 PolarHBondContact O-N 2.91Å; E4-Q7 PolarHBondContact O-N 2.88Å; A5-Q7 VanDerWaalsContact C-N 3.34Å; Q7-A11 PolarHBondContact O-N 3.39Å; Q7-I52 HydrophobicContact CB-CD1 3.86Å; Q7-I52 HydrophobicContact CB-CG1 3.85Å; Q7-Q56 PolarHBondContact O-NE2 2.83Å
8	L	98.7	Very high	95	Very high	58 Å²	58	66.4 Å²	66.4	30%	0.304	38%	0.376	S	S	.	.	H	α-helix	trans	-68.5	-44.2	174.9	-74.5	175.4	0	0	0	112.1	E4 A5 E10 A11 A12 I52 L55 L59	E4-L8 PolarHBondContact O-N 3.05Å; A5-L8 PolarHBondContact O-N 2.75Å; L8-E10 VanDerWaalsContact C-N 3.29Å; L8-E10 PolarHBondContact O-N 2.79Å; L8-A11 PolarHBondContact O-N 3.36Å; L8-A12 WeakPolarHBondContact O-CB 3.35Å; L8-A12 PolarHBondContact O-N 3.08Å; L8-I52 HydrophobicContact CD1-CD1 4.46Å; L8-I52 HydrophobicContact CD2-CD1 3.59Å; L8-I52 HydrophobicContact CG-CD1 3.55Å; L8-L55 HydrophobicContact CD2-CB 3.76Å; L8-L55 HydrophobicContact CD2-CD1 4.38Å; L8-L59 HydrophobicContact CD2-CD1 4.18Å
9	L	98.7	Very high	95.2	Very high	122 Å²	122	63.1 Å²	63.1	64%	0.639	36%	0.357	S	S	*	.	H	α-helix	trans	-63.3	-37.2	179.6	-73.3	171	0	0	0	111.8	A5 A6 A12 D13	A5-L9 WeakPolarHBondContact O-CB 3.25Å; A5-L9 VanDerWaalsContact O-CG 3.24Å; A5-L9 WeakPolarHBondContact O-CG 3.39Å; A5-L9 PolarHBondContact O-N 2.62Å; A6-L9 PolarHBondContact O-N 2.95Å; L9-A12 PolarHBondContact O-N 2.95Å; L9-D13 VanDerWaalsContact O-CB 3.3Å; L9-D13 WeakPolarHBondContact O-CB 3.49Å; L9-D13 PolarHBondContact O-N 3.25Å
10	E	98.8	Very high	95.4	Very high	89 Å²	89	67.5 Å²	67.5	42%	0.416	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-47.7	175.1	-169.7	63.7	-145.3	0	0	111.6	A6 L8 F14 F78	A6-E10 WeakPolarHBondContact O-CB 3.42Å; A6-E10 PolarHBondContact O-N 3.33Å; L8-E10 VanDerWaalsContact C-N 3.29Å; L8-E10 PolarHBondContact O-N 2.79Å; E10-F14 VanDerWaalsContact O-CB 3.27Å; E10-F14 WeakPolarHBondContact O-CB 3.37Å; E10-F14 PolarHBondContact O-N 3.26Å; E10-F78 HydrophobicContact CB-CE1 4.4Å; E10-F78 HydrophobicContact CG-CE1 3.95Å
11	A	98.8	Very high	95.5	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-39.7	178.2	0	0	0	0	0	112.2	Q7 L8 A15 Q56 L59 L60 F78	Q7-A11 PolarHBondContact O-N 3.39Å; L8-A11 PolarHBondContact O-N 3.36Å; A11-A15 WeakPolarHBondContact O-CB 3.39Å; A11-A15 PolarHBondContact O-N 3.32Å; A11-Q56 HydrophobicContact CB-CB 4.15Å; A11-Q56 HydrophobicContact CB-CG 3.91Å; A11-L59 HydrophobicContact CB-CB 4.23Å; A11-L59 HydrophobicContact CB-CD1 3.94Å; A11-L60 HydrophobicContact CB-CD1 4.26Å; A11-L60 HydrophobicContact CB-CD2 4.42Å; A11-L60 HydrophobicContact CB-CG 4.24Å; A11-F78 HydrophobicContact CB-CD1 4.45Å; A11-F78 HydrophobicContact CB-CE1 3.89Å; A11-F78 HydrophobicContact CB-CZ 4.45Å
12	A	98.9	Very high	97.5	Very high	26 Å²	26	62.5 Å²	62.5	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-45.2	178.2	0	0	0	0	0	112	L8 L9 A16 L59	L8-A12 WeakPolarHBondContact O-CB 3.35Å; L8-A12 PolarHBondContact O-N 3.08Å; L9-A12 PolarHBondContact O-N 2.95Å; A12-A16 VanDerWaalsContact O-CB 3.25Å; A12-A16 WeakPolarHBondContact O-CB 3.32Å; A12-A16 PolarHBondContact O-N 3.43Å; A12-L59 HydrophobicContact CB-CD1 4.23Å
13	D	98.9	Very high	98.4	Very high	81 Å²	81	66 Å²	66	43%	0.433	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-44.2	175.8	175.1	72.8	0	0	0	111.4	L9 A16 R17	L9-D13 VanDerWaalsContact O-CB 3.3Å; L9-D13 WeakPolarHBondContact O-CB 3.49Å; L9-D13 PolarHBondContact O-N 3.25Å; D13-A16 PolarHBondContact O-N 3.12Å; D13-R17 WeakPolarHBondContact O-CG 3.27Å; D13-R17 PolarHBondContact O-N 2.89Å; D13-R17 IonicContact OD1-NE 2.95Å; D13-R17 IonicContact OD2-CZ 3.89Å; D13-R17 IonicContact OD2-NE 2.79Å; D13-R17 PolarHBondContact OD2-NE 2.9Å; D13-R17 IonicContact OD2-NH2 2.72Å; D13-R17 PolarHBondContact OD2-NH2 2.86Å
14	F	98.9	Very high	98.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.9	-52.4	175.8	-174.4	-80.2	0	0	0	111.7	E10 A16 R17 K18 L60 T63 T69 E73 F78	E10-F14 VanDerWaalsContact O-CB 3.27Å; E10-F14 WeakPolarHBondContact O-CB 3.37Å; E10-F14 PolarHBondContact O-N 3.26Å; F14-A16 VanDerWaalsContact C-N 3.29Å; F14-A16 PolarHBondContact O-N 3.2Å; F14-R17 PolarHBondContact O-N 3.44Å; F14-K18 HydrophobicContact CD1-CG 3.97Å; F14-K18 HydrophobicContact CE1-CD 4.4Å; F14-K18 HydrophobicContact CE1-CG 3.64Å; F14-K18 HydrophobicContact CZ-CD 4.46Å; F14-K18 HydrophobicContact CZ-CG 4.14Å; F14-K18 WeakPolarHBondContact O-CG 3.42Å; F14-K18 PolarHBondContact O-N 3.3Å; F14-L60 HydrophobicContact CB-CD2 4.38Å; F14-L60 HydrophobicContact CD1-CD2 3.58Å; F14-L60 HydrophobicContact CE1-CD2 4.29Å; F14-L60 HydrophobicContact CG-CD2 4.31Å; F14-T63 HydrophobicContact CD1-CG2 4.49Å; F14-T63 HydrophobicContact CE1-CG2 4.47Å; F14-T69 HydrophobicContact CE1-CG2 3.86Å; F14-T69 HydrophobicContact CZ-CG2 3.86Å; F14-E73 HydrophobicContact CE2-CG 4.15Å; F14-E73 HydrophobicContact CZ-CG 3.97Å; F14-F78 HydrophobicContact CB-CE2 4.35Å; F14-F78 HydrophobicContact CB-CZ 3.7Å; F14-F78 HydrophobicContact CD1-CE2 4.09Å; F14-F78 HydrophobicContact CD1-CZ 4.28Å; F14-F78 AromaticContact CD2-CE2 3.99Å; F14-F78 HydrophobicContact CD2-CE2 3.99Å; F14-F78 AromaticContact CD2-CZ 3.99Å; F14-F78 HydrophobicContact CD2-CZ 3.99Å; F14-F78 HydrophobicContact CE1-CE2 4.39Å; F14-F78 HydrophobicContact CE2-CE2 4.31Å; F14-F78 AromaticContact CG-CE2 3.88Å; F14-F78 HydrophobicContact CG-CE2 3.88Å; F14-F78 AromaticContact CG-CZ 3.74Å; F14-F78 HydrophobicContact CG-CZ 3.74Å
15	A	98.9	Very high	98.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-41.9	177.1	0	0	0	0	0	111.5	A11 R17 K18 H19 I33 L59 L60 T63	A11-A15 WeakPolarHBondContact O-CB 3.39Å; A11-A15 PolarHBondContact O-N 3.32Å; A15-R17 PolarHBondContact O-N 3.17Å; A15-K18 PolarHBondContact O-N 3.21Å; A15-H19 WeakPolarHBondContact O-CB 3.45Å; A15-H19 PolarHBondContact O-CD2 3.41Å; A15-H19 VanDerWaalsContact O-CD2 3.27Å; A15-H19 PolarHBondContact O-N 2.65Å; A15-I33 HydrophobicContact CB-CD1 3.71Å; A15-L59 WeakPolarHBondContact CB-O 3.14Å; A15-L60 HydrophobicContact CB-CD2 4.32Å; A15-T63 HydrophobicContact CB-CG2 4.27Å
16	A	98.9	Very high	98.5	Very high	36 Å²	36	62.1 Å²	62.1	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-43.7	178.7	0	0	0	0	0	112	A12 D13 F14 R20 I33	A12-A16 VanDerWaalsContact O-CB 3.25Å; A12-A16 WeakPolarHBondContact O-CB 3.32Å; A12-A16 PolarHBondContact O-N 3.43Å; D13-A16 PolarHBondContact O-N 3.12Å; F14-A16 VanDerWaalsContact C-N 3.29Å; F14-A16 PolarHBondContact O-N 3.2Å; A16-R20 WeakPolarHBondContact O-CA 3.15Å; A16-R20 WeakPolarHBondContact O-CB 3.11Å; A16-R20 PolarHBondContact O-N 2.97Å; A16-I33 HydrophobicContact CB-CD1 4.01Å; A16-I33 HydrophobicContact CB-CG1 3.83Å
17	R	98.8	Very high	98.4	Very high	103 Å²	103	64.2 Å²	64.2	39%	0.389	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-44	176.8	-76.2	-175.1	-78	113.3	-5.9	112.1	D13 F14 A15 R20	D13-R17 WeakPolarHBondContact O-CG 3.27Å; D13-R17 PolarHBondContact O-N 2.89Å; D13-R17 IonicContact OD1-NE 2.95Å; D13-R17 IonicContact OD2-CZ 3.89Å; D13-R17 IonicContact OD2-NE 2.79Å; D13-R17 PolarHBondContact OD2-NE 2.9Å; D13-R17 IonicContact OD2-NH2 2.72Å; D13-R17 PolarHBondContact OD2-NH2 2.86Å; F14-R17 PolarHBondContact O-N 3.44Å; A15-R17 PolarHBondContact O-N 3.17Å; R17-R20 WeakPolarHBondContact O-CB 3.36Å; R17-R20 WeakPolarHBondContact O-CD 3.27Å; R17-R20 WeakPolarHBondContact O-CG 3.37Å; R17-R20 PolarHBondContact O-NH1 3.31Å
18	K	98.8	Very high	98.3	Very high	30 Å²	30	69.3 Å²	69.3	13%	0.13	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-43.1	-179.9	-68.5	-65.5	-169.8	156.5	0	111.9	F14 A15 R20 T63 T67 D68 T69 E73	F14-K18 HydrophobicContact CD1-CG 3.97Å; F14-K18 HydrophobicContact CE1-CD 4.4Å; F14-K18 HydrophobicContact CE1-CG 3.64Å; F14-K18 HydrophobicContact CZ-CD 4.46Å; F14-K18 HydrophobicContact CZ-CG 4.14Å; F14-K18 WeakPolarHBondContact O-CG 3.42Å; F14-K18 PolarHBondContact O-N 3.3Å; A15-K18 PolarHBondContact O-N 3.21Å; K18-R20 PolarHBondContact O-N 3.09Å; K18-T63 HydrophobicContact CB-CG2 4.41Å; K18-T67 HydrophobicContact CB-CG2 4.03Å; K18-D68 WeakPolarHBondContact CD-OD1 3.38Å; K18-D68 IonicContact NZ-OD1 2.97Å; K18-D68 PolarHBondContact NZ-OD1 2.84Å; K18-T69 WeakPolarHBondContact CD-OG1 3.41Å; K18-T69 WeakPolarHBondContact CE-OG1 3.3Å; K18-T69 WeakPolarHBondContact CG-OG1 3.47Å; K18-T69 PolarHBondContact NZ-OG1 3.14Å; K18-E73 VanDerWaalsContact CE-OE1 3.25Å; K18-E73 WeakPolarHBondContact CE-OE1 3.34Å; K18-E73 VanDerWaalsContact NZ-CD 3.27Å; K18-E73 IonicContact NZ-OE1 2.99Å; K18-E73 PolarHBondContact NZ-OE1 3.11Å; K18-E73 IonicContact NZ-OE2 2.95Å; K18-E73 PolarHBondContact NZ-OE2 3.2Å
19	H	98.8	Very high	98.3	Very high	3 Å²	3	67.7 Å²	67.7	1%	0.014	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	9.6	179.4	-65.8	-66.5	0	0	0	114.8	A15 Q21 Q22 Y32 D62 T67	A15-H19 WeakPolarHBondContact O-CB 3.45Å; A15-H19 PolarHBondContact O-CD2 3.41Å; A15-H19 VanDerWaalsContact O-CD2 3.27Å; A15-H19 PolarHBondContact O-N 2.65Å; H19-Q21 PolarHBondContact O-N 3.49Å; H19-Q22 HydrophobicContact CB-CB 4.44Å; H19-Q22 PolarHBondContact CE1-OE1 3.49Å; H19-Q22 PolarHBondContact ND1-OE1 2.9Å; H19-Q22 PolarHBondContact O-N 3.39Å; H19-Y32 HydrophobicContact CB-CD1 4.26Å; H19-Y32 AromaticContact CE1-CD1 3.9Å; H19-Y32 AromaticContact CE1-CE1 3.91Å; H19-Y32 AromaticContact CG-CD1 3.81Å; H19-Y32 AromaticContact ND1-CD1 3.57Å; H19-D62 PolarHBondContact CE1-O 3.38Å; H19-T67 VanDerWaalsContact CE1-CG2 3.41Å; H19-T67 WeakPolarHBondContact CE1-CG2 3.25Å; H19-T67 WeakPolarHBondContact ND1-CG2 3.37Å
20	R	98.6	Very high	98.3	Very high	151 Å²	151	63.2 Å²	63.2	57%	0.57	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.4	-172	75.1	-169.6	175.8	-79.2	-1.1	114.6	A16 R17 K18 R23	A16-R20 WeakPolarHBondContact O-CA 3.15Å; A16-R20 WeakPolarHBondContact O-CB 3.11Å; A16-R20 PolarHBondContact O-N 2.97Å; R17-R20 WeakPolarHBondContact O-CB 3.36Å; R17-R20 WeakPolarHBondContact O-CD 3.27Å; R17-R20 WeakPolarHBondContact O-CG 3.37Å; R17-R20 PolarHBondContact O-NH1 3.31Å; K18-R20 PolarHBondContact O-N 3.09Å; R20-R23 PolarHBondContact O-NH1 2.86Å
21	Q	98.3	Very high	98.3	Very high	158 Å²	158	61.8 Å²	61.8	74%	0.738	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.9	179.6	-67.5	179.5	-30.9	0	0	113.4	H19	H19-Q21 PolarHBondContact O-N 3.49Å
22	Q	98.6	Very high	98.3	Very high	43 Å²	43	63 Å²	63	20%	0.201	31%	0.308	C	S	.	.			trans	-82.5	145.6	-177.1	-167	173.9	-8.9	0	0	110.6	H19 Y32 D66	H19-Q22 HydrophobicContact CB-CB 4.44Å; H19-Q22 PolarHBondContact CE1-OE1 3.49Å; H19-Q22 PolarHBondContact ND1-OE1 2.9Å; H19-Q22 PolarHBondContact O-N 3.39Å; Q22-Y32 HydrophobicContact CB-CG 4.14Å; Q22-Y32 HydrophobicContact CG-CD1 4.35Å; Q22-Y32 HydrophobicContact CG-CD2 3.72Å; Q22-Y32 HydrophobicContact CG-CE2 4.47Å; Q22-Y32 HydrophobicContact CG-CG 3.65Å; Q22-Y32 VanDerWaalsContact NE2-CE2 3.31Å; Q22-Y32 WeakPolarHBondContact O-CB 3.34Å; Q22-Y32 PolarHBondContact O-N 2.67Å; Q22-Y32 VanDerWaalsContact O-N 3.13Å; Q22-D66 PolarHBondContact NE2-OD2 2.97Å
23	R	98.4	Very high	98.3	Very high	126 Å²	126	63.1 Å²	63.1	48%	0.475	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-128	153.1	175.3	-59.9	-56.9	-177.7	-99.9	1.9	110.4	R20 G29 T30	R20-R23 PolarHBondContact O-NH1 2.86Å; R23-G29 WeakPolarHBondContact CD-O 3.37Å; R23-T30 CarbonylContact C-O 3.32Å; R23-T30 WeakPolarHBondContact CA-O 3.41Å
24	R	98.4	Very high	98.3	Very high	29 Å²	29	62.6 Å²	62.6	11%	0.109	30%	0.302	C	S	.	.			trans	-68.7	166.3	167	-64.5	-67.6	-70.5	-162.6	-5.4	109.2	D26 T30 Y32 H35 N126 D129	R24-D26 VanDerWaalsContact C-N 3.34Å; R24-D26 WeakPolarHBondContact CB-OD1 3.4Å; R24-T30 WeakPolarHBondContact CB-O 3.39Å; R24-T30 WeakPolarHBondContact CG-O 3.22Å; R24-T30 PolarHBondContact N-O 2.78Å; R24-Y32 HydrophobicContact CG-CD2 4.4Å; R24-H35 PolarHBondContact NH1-ND1 2.72Å; R24-N126 PolarHBondContact NH1-OD1 2.89Å; R24-N126 PolarHBondContact NH2-OD1 3.32Å; R24-D129 IonicContact CZ-OD2 3.54Å; R24-D129 IonicContact NE-OD2 3.86Å; R24-D129 IonicContact NH2-OD2 2.71Å; R24-D129 PolarHBondContact NH2-OD2 3.36Å
25	K	96.7	Very high	98.3	Very high	141 Å²	141	62.6 Å²	62.6	61%	0.613	30%	0.302	S	S	*	.	S	Bend	trans	-96.5	10.1	-175.7	-62.8	175.3	-176.7	164	0	112.5	P135 E136	K25-P135 HydrophobicContact CB-CB 3.9Å; K25-P135 CarbonylContact O-C 3.51Å; K25-P135 WeakPolarHBondContact O-CA 3.3Å; K25-P135 WeakPolarHBondContact O-CB 3.38Å; K25-E136 PolarHBondContact O-N 3.01Å
26	D	97.1	Very high	98.3	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.037	30%	0.302	C	S	.	.	S	Bend	trans	-71.7	158.2	170.8	63.5	-40.6	0	0	0	110.3	R24 E28 G29 T30 R132	R24-D26 VanDerWaalsContact C-N 3.34Å; R24-D26 WeakPolarHBondContact CB-OD1 3.4Å; D26-E28 PolarHBondContact O-N 2.97Å; D26-E28 VanDerWaalsContact O-N 3.1Å; D26-G29 WeakPolarHBondContact O-CA 3.06Å; D26-G29 PolarHBondContact O-N 2.54Å; D26-T30 WeakPolarHBondContact OD1-CB 3.39Å; D26-T30 PolarHBondContact OD1-N 2.83Å; D26-T30 PolarHBondContact OD1-OG1 3.25Å; D26-T30 WeakPolarHBondContact OD2-CB 3.46Å; D26-T30 PolarHBondContact OD2-OG1 3.15Å; D26-R132 IonicContact OD2-NH2 3.09Å; D26-R132 PolarHBondContact OD2-NH2 3.37Å; D26-R132 VanDerWaalsContact OD2-NH2 3.12Å
27	P	96.2	Very high	98.3	Very high	89 Å²	89	64.8 Å²	64.8	58%	0.578	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.5	-172.9	-27.4	36.2	0	0	0	115	G29 C133	P27-G29 VanDerWaalsContact C-N 3.27Å; P27-C133 WeakPolarHBondContact CD-SG 3.43Å
28	E	97.1	Very high	98.3	Very high	163 Å²	163	60.4 Å²	60.4	76%	0.762	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.8	177	-66.3	177.4	-153.6	0	0	112.7	D26	D26-E28 PolarHBondContact O-N 2.97Å; D26-E28 VanDerWaalsContact O-N 3.1Å
29	G	97.6	Very high	98.3	Very high	24 Å²	24	59 Å²	59	25%	0.247	29%	0.289	C	S	.	.			trans	57.3	57.3	-172.8	0	0	0	0	0	110.7	R23 D26 P27	R23-G29 WeakPolarHBondContact CD-O 3.37Å; D26-G29 WeakPolarHBondContact O-CA 3.06Å; D26-G29 PolarHBondContact O-N 2.54Å; P27-G29 VanDerWaalsContact C-N 3.27Å
30	T	98.4	Very high	98.3	Very high	28 Å²	28	59.4 Å²	59.4	17%	0.172	29%	0.293	C	S	.	.			trans	-56.5	138.9	-177.1	-67.3	0	0	0	0	110.5	R23 R24 D26 Y32 N34	R23-T30 CarbonylContact C-O 3.32Å; R23-T30 WeakPolarHBondContact CA-O 3.41Å; R24-T30 WeakPolarHBondContact CB-O 3.39Å; R24-T30 WeakPolarHBondContact CG-O 3.22Å; R24-T30 PolarHBondContact N-O 2.78Å; D26-T30 WeakPolarHBondContact OD1-CB 3.39Å; D26-T30 PolarHBondContact OD1-N 2.83Å; D26-T30 PolarHBondContact OD1-OG1 3.25Å; D26-T30 WeakPolarHBondContact OD2-CB 3.46Å; D26-T30 PolarHBondContact OD2-OG1 3.15Å; T30-Y32 PolarHBondContact O-N 2.9Å; T30-N34 HydrophobicContact CG2-CB 3.98Å; T30-N34 WeakPolarHBondContact CG2-ND2 3.44Å
31	P	98.8	Very high	98.3	Very high	59 Å²	59	58.4 Å²	58.4	38%	0.383	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-51.8	131.4	175.8	-28.6	36.3	0	0	0	112.7	I33 N34	P31-I33 HydrophobicContact CB-CG2 4.17Å; P31-I33 PolarHBondContact O-N 2.99Å; P31-N34 WeakPolarHBondContact O-CB 2.92Å; P31-N34 PolarHBondContact O-N 2.91Å; P31-N34 VanDerWaalsContact O-N 3.11Å; P31-N34 PolarHBondContact O-OD1 3.12Å
32	Y	98.8	Very high	98.3	Very high	25 Å²	25	51.2 Å²	51.2	10%	0.098	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.5	-170.7	-165.1	-92.4	0	0	0	113.3	H19 Q22 R24 T30 N34 H35 P36 D62	H19-Y32 HydrophobicContact CB-CD1 4.26Å; H19-Y32 AromaticContact CE1-CD1 3.9Å; H19-Y32 AromaticContact CE1-CE1 3.91Å; H19-Y32 AromaticContact CG-CD1 3.81Å; H19-Y32 AromaticContact ND1-CD1 3.57Å; Q22-Y32 HydrophobicContact CB-CG 4.14Å; Q22-Y32 HydrophobicContact CG-CD1 4.35Å; Q22-Y32 HydrophobicContact CG-CD2 3.72Å; Q22-Y32 HydrophobicContact CG-CE2 4.47Å; Q22-Y32 HydrophobicContact CG-CG 3.65Å; Q22-Y32 VanDerWaalsContact NE2-CE2 3.31Å; Q22-Y32 WeakPolarHBondContact O-CB 3.34Å; Q22-Y32 PolarHBondContact O-N 2.67Å; Q22-Y32 VanDerWaalsContact O-N 3.13Å; R24-Y32 HydrophobicContact CG-CD2 4.4Å; T30-Y32 PolarHBondContact O-N 2.9Å; Y32-N34 PolarHBondContact O-N 3.47Å; Y32-H35 AromaticContact CZ-CD2 3.93Å; Y32-H35 WeakPolarHBondContact O-CB 3.45Å; Y32-H35 PolarHBondContact O-N 3.48Å; Y32-P36 HydrophobicContact CE1-CG 4.4Å; Y32-P36 WeakPolarHBondContact O-CD 3.32Å; Y32-D62 HydrophobicContact CE1-CB 3.92Å; Y32-D62 VanDerWaalsContact CE1-OD2 3.28Å; Y32-D62 WeakPolarHBondContact CE1-OD2 3.46Å; Y32-D62 VanDerWaalsContact CZ-OD2 3.3Å; Y32-D62 PolarHBondContact OH-OD2 3.45Å
33	I	98.8	Very high	98.3	Very high	29 Å²	29	49.1 Å²	49.1	15%	0.149	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.7	176.9	-171.3	54.8	0	0	0	113.9	A15 A16 P31 H35 P36 I37	A15-I33 HydrophobicContact CB-CD1 3.71Å; A16-I33 HydrophobicContact CB-CD1 4.01Å; A16-I33 HydrophobicContact CB-CG1 3.83Å; P31-I33 HydrophobicContact CB-CG2 4.17Å; P31-I33 PolarHBondContact O-N 2.99Å; I33-H35 PolarHBondContact O-N 3.06Å; I33-P36 WeakPolarHBondContact O-CD 3.48Å; I33-I37 HydrophobicContact CD1-CD1 4.41Å; I33-I37 HydrophobicContact CD1-CG1 4.36Å; I33-I37 HydrophobicContact CG1-CD1 3.84Å; I33-I37 HydrophobicContact CG1-CG1 4.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.36Å; I33-I37 PolarHBondContact O-N 2.9Å
34	N	98.9	Very high	98.4	Very high	71 Å²	71	45.7 Å²	45.7	38%	0.38	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-29.2	175.1	-68.4	33.8	0	0	0	112.3	T30 P31 Y32 G38 Y125	T30-N34 HydrophobicContact CG2-CB 3.98Å; T30-N34 WeakPolarHBondContact CG2-ND2 3.44Å; P31-N34 WeakPolarHBondContact O-CB 2.92Å; P31-N34 PolarHBondContact O-N 2.91Å; P31-N34 VanDerWaalsContact O-N 3.11Å; P31-N34 PolarHBondContact O-OD1 3.12Å; Y32-N34 PolarHBondContact O-N 3.47Å; N34-G38 PolarHBondContact O-N 3.07Å; N34-Y125 PolarHBondContact O-OH 3.45Å
35	H	98.9	Very high	98.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.9	-59.4	177.8	166.1	73.3	0	0	0	112.6	R24 Y32 I33 I37 G38 V39 H61 D62 D122 Y125	R24-H35 PolarHBondContact NH1-ND1 2.72Å; Y32-H35 AromaticContact CZ-CD2 3.93Å; Y32-H35 WeakPolarHBondContact O-CB 3.45Å; Y32-H35 PolarHBondContact O-N 3.48Å; I33-H35 PolarHBondContact O-N 3.06Å; H35-I37 VanDerWaalsContact C-N 3.26Å; H35-I37 PolarHBondContact O-N 3.47Å; H35-G38 CarbonylContact O-C 3.49Å; H35-G38 WeakPolarHBondContact O-CA 3.33Å; H35-G38 PolarHBondContact O-N 2.81Å; H35-V39 VanDerWaalsContact CE1-CG2 3.44Å; H35-V39 WeakPolarHBondContact CE1-CG2 3.38Å; H35-V39 WeakPolarHBondContact O-CG2 3.46Å; H35-V39 PolarHBondContact O-N 2.72Å; H35-H61 AromaticContact CD2-CE1 3.62Å; H35-H61 AromaticContact CD2-NE2 3.69Å; H35-H61 AromaticContact CE1-NE2 3.91Å; H35-H61 AromaticContact NE2-CE1 3.26Å; H35-H61 PolarHBondContact NE2-CE1 3.08Å; H35-H61 VanDerWaalsContact NE2-CE1 3.26Å; H35-H61 AromaticContact NE2-NE2 2.95Å; H35-H61 PolarHBondContact NE2-NE2 3.23Å; H35-D62 IonicContact CD2-OD2 3.98Å; H35-D62 PolarHBondContact CD2-OD2 2.96Å; H35-D62 IonicContact NE2-OD2 2.7Å; H35-D62 PolarHBondContact NE2-OD2 2.89Å; H35-D122 IonicContact CE1-OD1 2.65Å; H35-D122 PolarHBondContact CE1-OD1 3.31Å; H35-D122 IonicContact NE2-OD1 3.58Å; H35-D122 PolarHBondContact NE2-OD1 3.27Å; H35-Y125 HydrophobicContact CB-CE1 3.99Å; H35-Y125 AromaticContact CE1-CD1 3.95Å; H35-Y125 AromaticContact ND1-CD1 3.1Å; H35-Y125 WeakPolarHBondContact ND1-CD1 3.22Å; H35-Y125 AromaticContact ND1-CE1 3.47Å; H35-Y125 WeakPolarHBondContact ND1-CE1 3.41Å; H35-Y125 AromaticContact ND1-CG 3.81Å
36	P	98.9	Very high	98.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.9	-37.6	177.4	-25.7	34	0	0	0	113.8	Y32 I33 G38 V39 A40 L59	Y32-P36 HydrophobicContact CE1-CG 4.4Å; Y32-P36 WeakPolarHBondContact O-CD 3.32Å; I33-P36 WeakPolarHBondContact O-CD 3.48Å; P36-G38 VanDerWaalsContact C-N 3.35Å; P36-G38 PolarHBondContact O-N 3.32Å; P36-V39 PolarHBondContact O-N 3.31Å; P36-A40 PolarHBondContact O-N 2.93Å; P36-L59 VanDerWaalsContact CB-O 3.23Å; P36-L59 WeakPolarHBondContact CB-O 3.21Å
37	I	98.9	Very high	98.5	Very high	82 Å²	82	46.4 Å²	46.4	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-60.5	-46	172.3	-68.5	173.6	0	0	0	110.7	I33 H35 A40 R41 L59	I33-I37 HydrophobicContact CD1-CD1 4.41Å; I33-I37 HydrophobicContact CD1-CG1 4.36Å; I33-I37 HydrophobicContact CG1-CD1 3.84Å; I33-I37 HydrophobicContact CG1-CG1 4.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.36Å; I33-I37 PolarHBondContact O-N 2.9Å; H35-I37 VanDerWaalsContact C-N 3.26Å; H35-I37 PolarHBondContact O-N 3.47Å; I37-A40 PolarHBondContact O-N 3.16Å; I37-R41 VanDerWaalsContact O-CB 3.29Å; I37-R41 WeakPolarHBondContact O-CB 3.4Å; I37-R41 PolarHBondContact O-N 2.84Å; I37-L59 HydrophobicContact CG1-CD2 4.18Å
38	G	98.9	Very high	98.6	Very high	11 Å²	11	44.9 Å²	44.9	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-41.2	177.6	0	0	0	0	0	113.7	N34 H35 P36 R41 I42	N34-G38 PolarHBondContact O-N 3.07Å; H35-G38 CarbonylContact O-C 3.49Å; H35-G38 WeakPolarHBondContact O-CA 3.33Å; H35-G38 PolarHBondContact O-N 2.81Å; P36-G38 VanDerWaalsContact C-N 3.35Å; P36-G38 PolarHBondContact O-N 3.32Å; G38-R41 WeakPolarHBondContact O-CB 3.43Å; G38-R41 PolarHBondContact O-N 3.12Å; G38-I42 WeakPolarHBondContact O-CG1 3.4Å; G38-I42 PolarHBondContact O-N 3.31Å
39	V	98.9	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-49.4	175.8	176.7	0	0	0	0	110.7	H35 P36 R41 I42 L43 A58 A121 D122 Y125	H35-V39 VanDerWaalsContact CE1-CG2 3.44Å; H35-V39 WeakPolarHBondContact CE1-CG2 3.38Å; H35-V39 WeakPolarHBondContact O-CG2 3.46Å; H35-V39 PolarHBondContact O-N 2.72Å; P36-V39 PolarHBondContact O-N 3.31Å; V39-R41 VanDerWaalsContact C-N 3.27Å; V39-R41 PolarHBondContact O-N 3.4Å; V39-I42 WeakPolarHBondContact O-CB 3.43Å; V39-I42 PolarHBondContact O-N 2.9Å; V39-L43 PolarHBondContact O-N 2.82Å; V39-L43 VanDerWaalsContact O-N 3.14Å; V39-A58 HydrophobicContact CG1-CB 4.16Å; V39-A121 HydrophobicContact CG1-CB 3.79Å; V39-D122 HydrophobicContact CG2-CB 4.47Å; V39-Y125 HydrophobicContact CG2-CG 4.3Å
40	A	98.9	Very high	98.8	Very high	12 Å²	12	42.9 Å²	42.9	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-34.8	175.6	0	0	0	0	0	112.5	P36 I37 L43 T44 A58 L59	P36-A40 PolarHBondContact O-N 2.93Å; I37-A40 PolarHBondContact O-N 3.16Å; A40-L43 PolarHBondContact O-N 3.28Å; A40-T44 PolarHBondContact O-N 3.24Å; A40-T44 VanDerWaalsContact O-N 3.1Å; A40-T44 PolarHBondContact O-OG1 3.13Å; A40-T44 VanDerWaalsContact O-OG1 3.08Å; A40-A58 HydrophobicContact CB-CB 4.06Å; A40-L59 HydrophobicContact CB-CD2 3.82Å; A40-L59 HydrophobicContact CB-CG 3.86Å
41	R	98.9	Very high	98.8	Very high	130 Å²	130	45.5 Å²	45.5	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-65.6	-42.3	174.3	-173.5	-177.6	174.1	-82	-2	112.1	I37 G38 V39 L43 T44 H45	I37-R41 VanDerWaalsContact O-CB 3.29Å; I37-R41 WeakPolarHBondContact O-CB 3.4Å; I37-R41 PolarHBondContact O-N 2.84Å; G38-R41 WeakPolarHBondContact O-CB 3.43Å; G38-R41 PolarHBondContact O-N 3.12Å; V39-R41 VanDerWaalsContact C-N 3.27Å; V39-R41 PolarHBondContact O-N 3.4Å; R41-L43 VanDerWaalsContact C-N 3.28Å; R41-L43 PolarHBondContact O-N 3.03Å; R41-T44 WeakPolarHBondContact CA-OG1 3.45Å; R41-T44 PolarHBondContact O-N 2.78Å; R41-T44 PolarHBondContact O-OG1 3.3Å; R41-H45 WeakPolarHBondContact CG-ND1 3.33Å; R41-H45 VanDerWaalsContact O-CB 3.32Å; R41-H45 WeakPolarHBondContact O-CB 3.11Å; R41-H45 PolarHBondContact O-N 3.02Å; R41-H45 PolarHBondContact O-ND1 2.91Å
42	I	98.9	Very high	98.8	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-45.2	174.8	-76.4	169.1	0	0	0	110.1	G38 V39 T44 E46 A47 A121 L124 Y125 L164	G38-I42 WeakPolarHBondContact O-CG1 3.4Å; G38-I42 PolarHBondContact O-N 3.31Å; V39-I42 WeakPolarHBondContact O-CB 3.43Å; V39-I42 PolarHBondContact O-N 2.9Å; I42-T44 PolarHBondContact O-N 3.43Å; I42-E46 WeakPolarHBondContact O-CA 3.48Å; I42-E46 WeakPolarHBondContact O-CB 3.26Å; I42-E46 PolarHBondContact O-N 2.77Å; I42-A47 PolarHBondContact O-N 3.2Å; I42-A47 VanDerWaalsContact O-N 3.15Å; I42-A121 HydrophobicContact CB-CB 4.29Å; I42-A121 HydrophobicContact CG2-CB 3.77Å; I42-L124 HydrophobicContact CD1-CG 4.39Å; I42-L124 HydrophobicContact CG2-CD2 3.98Å; I42-Y125 HydrophobicContact CD1-CD2 3.89Å; I42-Y125 HydrophobicContact CD1-CG 4.32Å; I42-L164 HydrophobicContact CG2-CD2 3.42Å; I42-L164 VanDerWaalsContact CG2-CD2 3.42Å
43	L	98.9	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-44.6	179.1	-69.5	175	0	0	0	112.4	V39 A40 R41 A47 G48 I49 V54 L55 A58 L117 V118 A121 L164	V39-L43 PolarHBondContact O-N 2.82Å; V39-L43 VanDerWaalsContact O-N 3.14Å; A40-L43 PolarHBondContact O-N 3.28Å; R41-L43 VanDerWaalsContact C-N 3.28Å; R41-L43 PolarHBondContact O-N 3.03Å; L43-A47 HydrophobicContact CD2-CB 4.49Å; L43-A47 CarbonylContact O-C 3.56Å; L43-A47 WeakPolarHBondContact O-CB 3.26Å; L43-A47 PolarHBondContact O-N 2.63Å; L43-G48 PolarHBondContact O-N 3.34Å; L43-G48 VanDerWaalsContact O-N 3.13Å; L43-I49 HydrophobicContact CB-CB 4.19Å; L43-I49 HydrophobicContact CB-CG1 4.31Å; L43-I49 HydrophobicContact CD2-CG1 4.25Å; L43-I49 WeakPolarHBondContact O-CB 3.28Å; L43-I49 PolarHBondContact O-N 2.65Å; L43-V54 HydrophobicContact CD1-CG1 4.13Å; L43-L55 HydrophobicContact CB-CD2 3.8Å; L43-L55 HydrophobicContact CD1-CD2 4.35Å; L43-A58 HydrophobicContact CD1-CB 3.51Å; L43-L117 HydrophobicContact CD2-CB 4Å; L43-V118 HydrophobicContact CD1-CG2 4.44Å; L43-A121 HydrophobicContact CD1-CB 4.44Å; L43-A121 HydrophobicContact CD2-CB 3.65Å; L43-A121 HydrophobicContact CG-CB 3.72Å; L43-L164 HydrophobicContact CD2-CD1 4.13Å
44	T	98.7	Very high	98.8	Very high	53 Å²	53	43.1 Å²	43.1	33%	0.325	24%	0.239	S	C	.	.	H	α-helix	trans	-72.6	-49.1	179.4	46.1	0	0	0	0	112.9	A40 R41 I42 L55	A40-T44 PolarHBondContact O-N 3.24Å; A40-T44 VanDerWaalsContact O-N 3.1Å; A40-T44 PolarHBondContact O-OG1 3.13Å; A40-T44 VanDerWaalsContact O-OG1 3.08Å; R41-T44 WeakPolarHBondContact CA-OG1 3.45Å; R41-T44 PolarHBondContact O-N 2.78Å; R41-T44 PolarHBondContact O-OG1 3.3Å; I42-T44 PolarHBondContact O-N 3.43Å; T44-L55 HydrophobicContact CG2-CD1 3.6Å; T44-L55 HydrophobicContact CG2-CD2 3.6Å; T44-L55 HydrophobicContact CG2-CG 4.25Å
45	H	98.7	Very high	98.8	Very high	126 Å²	126	40.1 Å²	40.1	58%	0.583	22%	0.223	S	C	*	.	H	α-helix	trans	-87	-29.3	-167.7	-68.8	61.5	0	0	0	114	R41	R41-H45 WeakPolarHBondContact CG-ND1 3.33Å; R41-H45 VanDerWaalsContact O-CB 3.32Å; R41-H45 WeakPolarHBondContact O-CB 3.11Å; R41-H45 PolarHBondContact O-N 3.02Å; R41-H45 PolarHBondContact O-ND1 2.91Å
46	E	98.7	Very high	98.8	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-40.6	-175.3	-58.8	-179.9	-140.2	0	0	111.5	I42 R128 Q163	I42-E46 WeakPolarHBondContact O-CA 3.48Å; I42-E46 WeakPolarHBondContact O-CB 3.26Å; I42-E46 PolarHBondContact O-N 2.77Å; E46-R128 IonicContact OE1-CZ 3.68Å; E46-R128 IonicContact OE1-NH1 2.93Å; E46-R128 PolarHBondContact OE1-NH1 3.21Å; E46-R128 IonicContact OE1-NH2 3.52Å; E46-R128 IonicContact OE2-CZ 3.08Å; E46-R128 VanDerWaalsContact OE2-CZ 3.27Å; E46-R128 IonicContact OE2-NH1 2.8Å; E46-R128 PolarHBondContact OE2-NH1 2.85Å; E46-R128 IonicContact OE2-NH2 3.58Å; E46-R128 PolarHBondContact OE2-NH2 3.44Å; E46-Q163 VanDerWaalsContact O-CB 3.32Å; E46-Q163 WeakPolarHBondContact O-CB 3.34Å
47	A	98.5	Very high	98.8	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	23%	0.226	C	C	.	.	S	Bend	trans	-90.5	-12.1	-177.8	0	0	0	0	0	114.2	I42 L43 I49 N161 L164	I42-A47 PolarHBondContact O-N 3.2Å; I42-A47 VanDerWaalsContact O-N 3.15Å; L43-A47 HydrophobicContact CD2-CB 4.49Å; L43-A47 CarbonylContact O-C 3.56Å; L43-A47 WeakPolarHBondContact O-CB 3.26Å; L43-A47 PolarHBondContact O-N 2.63Å; A47-I49 HydrophobicContact CB-CD1 4.49Å; A47-I49 HydrophobicContact CB-CG1 3.88Å; A47-N161 PolarHBondContact O-ND2 3.45Å; A47-N161 VanDerWaalsContact O-ND2 3.16Å; A47-L164 HydrophobicContact CB-CD1 3.84Å; A47-L164 HydrophobicContact CB-CD2 3.95Å; A47-L164 HydrophobicContact CB-CG 3.74Å
48	G	98.5	Very high	98.8	Very high	58 Å²	58	36.9 Å²	36.9	60%	0.598	21%	0.206	S	C	*	.			trans	70.9	25.8	179.6	0	0	0	0	0	114.3	L43	L43-G48 PolarHBondContact O-N 3.34Å; L43-G48 VanDerWaalsContact O-N 3.13Å
49	I	98.7	Very high	98.8	Very high	28 Å²	28	36.9 Å²	36.9	14%	0.144	20%	0.203	C	C	.	.			trans	-83.1	128.3	-177.6	-54.9	-55.1	0	0	0	110.7	L43 A47 D51 V54 L55 L117	L43-I49 HydrophobicContact CB-CB 4.19Å; L43-I49 HydrophobicContact CB-CG1 4.31Å; L43-I49 HydrophobicContact CD2-CG1 4.25Å; L43-I49 WeakPolarHBondContact O-CB 3.28Å; L43-I49 PolarHBondContact O-N 2.65Å; A47-I49 HydrophobicContact CB-CD1 4.49Å; A47-I49 HydrophobicContact CB-CG1 3.88Å; I49-D51 HydrophobicContact CG2-CB 4.3Å; I49-V54 HydrophobicContact CG2-CB 4.28Å; I49-V54 HydrophobicContact CG2-CG1 4.18Å; I49-L55 HydrophobicContact CG2-CD2 4.24Å; I49-L117 HydrophobicContact CD1-CD1 3.73Å; I49-L117 HydrophobicContact CD1-CD2 3.93Å; I49-L117 HydrophobicContact CD1-CG 4.5Å; I49-L117 HydrophobicContact CG1-CD1 4.19Å; I49-L117 HydrophobicContact CG1-CD2 4.26Å
50	T	98.6	Very high	98.8	Very high	117 Å²	117	36.9 Å²	36.9	72%	0.718	20%	0.203	S	C	*	.			trans	-117.3	-3	175.2	61.4	0	0	0	0	113.1	I52	T50-I52 PolarHBondContact O-N 3.04Å; T50-I52 VanDerWaalsContact O-N 3.13Å
51	D	98.7	Very high	98.8	Very high	83 Å²	83	36.5 Å²	36.5	44%	0.444	20%	0.2	S	C	.	.			trans	-66.4	112.2	179.8	-174	-43.7	0	0	0	110.4	I49 V53 V54 L55	I49-D51 HydrophobicContact CG2-CB 4.3Å; D51-V53 VanDerWaalsContact C-N 3.26Å; D51-V53 PolarHBondContact O-N 2.9Å; D51-V53 WeakPolarHBondContact OD1-CA 3.46Å; D51-V53 VanDerWaalsContact OD1-CB 3.32Å; D51-V53 WeakPolarHBondContact OD1-CB 3.41Å; D51-V53 PolarHBondContact OD1-N 3.27Å; D51-V54 HydrophobicContact CB-CB 4.21Å; D51-V54 HydrophobicContact CB-CG2 3.99Å; D51-V54 PolarHBondContact O-N 3.47Å; D51-V54 PolarHBondContact OD1-N 2.91Å; D51-L55 WeakPolarHBondContact O-CG 3.45Å; D51-L55 PolarHBondContact O-N 3.25Å
52	I	98.7	Very high	98.8	Very high	29 Å²	29	30.9 Å²	30.9	15%	0.149	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-34.2	-176.5	-171.9	57.8	0	0	0	113	Q7 L8 T50 L55 Q56	Q7-I52 HydrophobicContact CB-CD1 3.86Å; Q7-I52 HydrophobicContact CB-CG1 3.85Å; L8-I52 HydrophobicContact CD1-CD1 4.46Å; L8-I52 HydrophobicContact CD2-CD1 3.59Å; L8-I52 HydrophobicContact CG-CD1 3.55Å; T50-I52 PolarHBondContact O-N 3.04Å; T50-I52 VanDerWaalsContact O-N 3.13Å; I52-L55 PolarHBondContact O-N 2.9Å; I52-Q56 HydrophobicContact CD1-CG 4.16Å; I52-Q56 HydrophobicContact CG1-CG 4.3Å; I52-Q56 WeakPolarHBondContact O-CB 3.25Å; I52-Q56 VanDerWaalsContact O-CG 3.25Å; I52-Q56 WeakPolarHBondContact O-CG 3.3Å; I52-Q56 PolarHBondContact O-N 2.88Å
53	V	98.8	Very high	98.8	Very high	25 Å²	25	30.6 Å²	30.6	15%	0.152	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-43.8	179.9	-178.3	0	0	0	0	109.6	D51 A57 Q81 V82 L85	D51-V53 VanDerWaalsContact C-N 3.26Å; D51-V53 PolarHBondContact O-N 2.9Å; D51-V53 WeakPolarHBondContact OD1-CA 3.46Å; D51-V53 VanDerWaalsContact OD1-CB 3.32Å; D51-V53 WeakPolarHBondContact OD1-CB 3.41Å; D51-V53 PolarHBondContact OD1-N 3.27Å; V53-A57 WeakPolarHBondContact O-CB 3.4Å; V53-A57 PolarHBondContact O-N 2.71Å; V53-Q81 HydrophobicContact CG1-CB 3.71Å; V53-Q81 HydrophobicContact CG2-CB 4.42Å; V53-V82 HydrophobicContact CB-CG2 4.33Å; V53-V82 HydrophobicContact CG1-CB 4.48Å; V53-V82 HydrophobicContact CG1-CG2 3.69Å; V53-L85 HydrophobicContact CG1-CD1 3.82Å
54	V	98.9	Very high	98.8	Very high	8 Å²	8	32 Å²	32	5%	0.048	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-41.1	177.7	179.8	0	0	0	0	111	L43 I49 D51 A57 A58 L85 L117 V118	L43-V54 HydrophobicContact CD1-CG1 4.13Å; I49-V54 HydrophobicContact CG2-CB 4.28Å; I49-V54 HydrophobicContact CG2-CG1 4.18Å; D51-V54 HydrophobicContact CB-CB 4.21Å; D51-V54 HydrophobicContact CB-CG2 3.99Å; D51-V54 PolarHBondContact O-N 3.47Å; D51-V54 PolarHBondContact OD1-N 2.91Å; V54-A57 PolarHBondContact O-N 3.06Å; V54-A58 WeakPolarHBondContact O-CB 3.4Å; V54-A58 PolarHBondContact O-N 3.43Å; V54-L85 HydrophobicContact CG2-CD1 4.17Å; V54-L117 HydrophobicContact CG1-CB 4.19Å; V54-L117 HydrophobicContact CG1-CD1 4.19Å; V54-V118 HydrophobicContact CG1-CG2 4.15Å
55	L	98.9	Very high	98.7	Very high	9 Å²	9	31 Å²	31	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-68.7	-39.6	179.2	-63.1	179.8	0	0	0	112.5	L8 L43 T44 I49 D51 I52 A58 L59	L8-L55 HydrophobicContact CD2-CB 3.76Å; L8-L55 HydrophobicContact CD2-CD1 4.38Å; L43-L55 HydrophobicContact CB-CD2 3.8Å; L43-L55 HydrophobicContact CD1-CD2 4.35Å; T44-L55 HydrophobicContact CG2-CD1 3.6Å; T44-L55 HydrophobicContact CG2-CD2 3.6Å; T44-L55 HydrophobicContact CG2-CG 4.25Å; I49-L55 HydrophobicContact CG2-CD2 4.24Å; D51-L55 WeakPolarHBondContact O-CG 3.45Å; D51-L55 PolarHBondContact O-N 3.25Å; I52-L55 PolarHBondContact O-N 2.9Å; L55-A58 PolarHBondContact O-N 2.94Å; L55-L59 PolarHBondContact O-N 3.34Å; L55-L59 VanDerWaalsContact O-N 3.11Å
56	Q	98.9	Very high	98.7	Very high	13 Å²	13	27.8 Å²	27.8	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-45.5	171.9	-73.1	-179.2	-49.8	0	0	111	Q7 A11 I52 A58 L59 L60 V82	Q7-Q56 PolarHBondContact O-NE2 2.83Å; A11-Q56 HydrophobicContact CB-CB 4.15Å; A11-Q56 HydrophobicContact CB-CG 3.91Å; I52-Q56 HydrophobicContact CD1-CG 4.16Å; I52-Q56 HydrophobicContact CG1-CG 4.3Å; I52-Q56 WeakPolarHBondContact O-CB 3.25Å; I52-Q56 VanDerWaalsContact O-CG 3.25Å; I52-Q56 WeakPolarHBondContact O-CG 3.3Å; I52-Q56 PolarHBondContact O-N 2.88Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 3.42Å; Q56-L59 PolarHBondContact O-N 3.45Å; Q56-L59 VanDerWaalsContact O-N 3.13Å; Q56-L60 WeakPolarHBondContact O-CB 3.23Å; Q56-L60 VanDerWaalsContact O-CG 3.22Å; Q56-L60 WeakPolarHBondContact O-CG 3.33Å; Q56-L60 PolarHBondContact O-N 2.72Å; Q56-V82 HydrophobicContact CB-CG1 4.25Å; Q56-V82 HydrophobicContact CB-CG2 4.1Å
57	A	98.9	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-38.4	175.8	0	0	0	0	0	112.1	V53 V54 L60 H61 L85 V86 V118	V53-A57 WeakPolarHBondContact O-CB 3.4Å; V53-A57 PolarHBondContact O-N 2.71Å; V54-A57 PolarHBondContact O-N 3.06Å; A57-L60 CarbonylContact O-C 3.55Å; A57-L60 PolarHBondContact O-N 2.9Å; A57-H61 WeakPolarHBondContact O-CA 3.36Å; A57-H61 WeakPolarHBondContact O-CB 3.5Å; A57-H61 PolarHBondContact O-N 3.43Å; A57-L85 HydrophobicContact CB-CB 3.6Å; A57-L85 HydrophobicContact CB-CD1 3.9Å; A57-L85 HydrophobicContact CB-CG 4.43Å; A57-V86 HydrophobicContact CB-CG2 4.35Å; A57-V118 HydrophobicContact CB-CG2 4.44Å
58	A	98.9	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-37.7	175	0	0	0	0	0	113.4	V39 A40 L43 V54 L55 Q56 L60 H61 V118	V39-A58 HydrophobicContact CG1-CB 4.16Å; A40-A58 HydrophobicContact CB-CB 4.06Å; L43-A58 HydrophobicContact CD1-CB 3.51Å; V54-A58 WeakPolarHBondContact O-CB 3.4Å; V54-A58 PolarHBondContact O-N 3.43Å; L55-A58 PolarHBondContact O-N 2.94Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 3.42Å; A58-L60 VanDerWaalsContact C-N 3.26Å; A58-L60 PolarHBondContact O-N 3.3Å; A58-H61 PolarHBondContact O-ND1 2.95Å; A58-V118 HydrophobicContact CB-CG2 4.23Å
59	L	98.9	Very high	98.6	Very high	11 Å²	11	29.5 Å²	29.5	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-68.9	-27.8	174	-70.7	166.9	0	0	0	112.3	L8 A11 A12 A15 P36 I37 A40 L55 Q56	L8-L59 HydrophobicContact CD2-CD1 4.18Å; A11-L59 HydrophobicContact CB-CB 4.23Å; A11-L59 HydrophobicContact CB-CD1 3.94Å; A12-L59 HydrophobicContact CB-CD1 4.23Å; A15-L59 WeakPolarHBondContact CB-O 3.14Å; P36-L59 VanDerWaalsContact CB-O 3.23Å; P36-L59 WeakPolarHBondContact CB-O 3.21Å; I37-L59 HydrophobicContact CG1-CD2 4.18Å; A40-L59 HydrophobicContact CB-CD2 3.82Å; A40-L59 HydrophobicContact CB-CG 3.86Å; L55-L59 PolarHBondContact O-N 3.34Å; L55-L59 VanDerWaalsContact O-N 3.11Å; Q56-L59 PolarHBondContact O-N 3.45Å; Q56-L59 VanDerWaalsContact O-N 3.13Å
60	L	98.9	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-103.1	-4.3	-172.9	-61.2	170.4	0	0	0	114	A11 F14 A15 Q56 A57 A58 D62 T63 F78 V82 V86	A11-L60 HydrophobicContact CB-CD1 4.26Å; A11-L60 HydrophobicContact CB-CD2 4.42Å; A11-L60 HydrophobicContact CB-CG 4.24Å; F14-L60 HydrophobicContact CB-CD2 4.38Å; F14-L60 HydrophobicContact CD1-CD2 3.58Å; F14-L60 HydrophobicContact CE1-CD2 4.29Å; F14-L60 HydrophobicContact CG-CD2 4.31Å; A15-L60 HydrophobicContact CB-CD2 4.32Å; Q56-L60 WeakPolarHBondContact O-CB 3.23Å; Q56-L60 VanDerWaalsContact O-CG 3.22Å; Q56-L60 WeakPolarHBondContact O-CG 3.33Å; Q56-L60 PolarHBondContact O-N 2.72Å; A57-L60 CarbonylContact O-C 3.55Å; A57-L60 PolarHBondContact O-N 2.9Å; A58-L60 VanDerWaalsContact C-N 3.26Å; A58-L60 PolarHBondContact O-N 3.3Å; L60-D62 PolarHBondContact O-N 3.36Å; L60-T63 HydrophobicContact CB-CG2 4.45Å; L60-T63 HydrophobicContact CD2-CG2 4.11Å; L60-T63 WeakPolarHBondContact O-CB 3.42Å; L60-T63 PolarHBondContact O-N 3.24Å; L60-T63 PolarHBondContact O-OG1 2.98Å; L60-F78 HydrophobicContact CD1-CD1 4.12Å; L60-F78 HydrophobicContact CD1-CD2 3.53Å; L60-F78 HydrophobicContact CD1-CE1 4.22Å; L60-F78 HydrophobicContact CD1-CE2 3.64Å; L60-F78 HydrophobicContact CD1-CG 3.79Å; L60-F78 HydrophobicContact CD1-CZ 3.99Å; L60-F78 HydrophobicContact CD2-CE2 4.05Å; L60-F78 HydrophobicContact CD2-CZ 4.15Å; L60-V82 HydrophobicContact CD1-CG1 3.81Å; L60-V86 HydrophobicContact CB-CG2 3.93Å
61	H	98.9	Very high	98.6	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.023	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.1	-164.5	72.9	-77.7	0	0	0	114.8	H35 A57 A58 V89 V118 D122	H35-H61 AromaticContact CD2-CE1 3.62Å; H35-H61 AromaticContact CD2-NE2 3.69Å; H35-H61 AromaticContact CE1-NE2 3.91Å; H35-H61 AromaticContact NE2-CE1 3.26Å; H35-H61 PolarHBondContact NE2-CE1 3.08Å; H35-H61 VanDerWaalsContact NE2-CE1 3.26Å; H35-H61 AromaticContact NE2-NE2 2.95Å; H35-H61 PolarHBondContact NE2-NE2 3.23Å; A57-H61 WeakPolarHBondContact O-CA 3.36Å; A57-H61 WeakPolarHBondContact O-CB 3.5Å; A57-H61 PolarHBondContact O-N 3.43Å; A58-H61 PolarHBondContact O-ND1 2.95Å; H61-V89 HydrophobicContact CB-CG2 3.65Å; H61-V118 HydrophobicContact CB-CG1 3.89Å; H61-D122 IonicContact NE2-OD1 2.78Å
62	D	98.8	Very high	98.6	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.064	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-2.2	179.5	-71.9	-29.5	0	0	0	113.9	H19 Y32 H35 L60 E65 D66	H19-D62 PolarHBondContact CE1-O 3.38Å; Y32-D62 HydrophobicContact CE1-CB 3.92Å; Y32-D62 VanDerWaalsContact CE1-OD2 3.28Å; Y32-D62 WeakPolarHBondContact CE1-OD2 3.46Å; Y32-D62 VanDerWaalsContact CZ-OD2 3.3Å; Y32-D62 PolarHBondContact OH-OD2 3.45Å; H35-D62 IonicContact CD2-OD2 3.98Å; H35-D62 PolarHBondContact CD2-OD2 2.96Å; H35-D62 IonicContact NE2-OD2 2.7Å; H35-D62 PolarHBondContact NE2-OD2 2.89Å; L60-D62 PolarHBondContact O-N 3.36Å; D62-E65 PolarHBondContact O-N 2.98Å; D62-D66 PolarHBondContact O-N 3.47Å
63	T	98.8	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-48.2	-172.5	55.5	0	0	0	0	111.6	F14 A15 K18 L60 E65 T67	F14-T63 HydrophobicContact CD1-CG2 4.49Å; F14-T63 HydrophobicContact CE1-CG2 4.47Å; A15-T63 HydrophobicContact CB-CG2 4.27Å; K18-T63 HydrophobicContact CB-CG2 4.41Å; L60-T63 HydrophobicContact CB-CG2 4.45Å; L60-T63 HydrophobicContact CD2-CG2 4.11Å; L60-T63 WeakPolarHBondContact O-CB 3.42Å; L60-T63 PolarHBondContact O-N 3.24Å; L60-T63 PolarHBondContact O-OG1 2.98Å; T63-E65 VanDerWaalsContact C-N 3.32Å; T63-T67 VanDerWaalsContact O-CB 3.3Å; T63-T67 WeakPolarHBondContact O-CB 3.4Å; T63-T67 PolarHBondContact O-N 3.23Å; T63-T67 VanDerWaalsContact O-N 3.15Å; T63-T67 PolarHBondContact O-OG1 2.67Å
64	V	98.7	Very high	98.6	Very high	30 Å²	30	29.2 Å²	29.2	18%	0.182	16%	0.158	C	C	.	.	H	α-helix	trans	-70.3	-33.5	177.3	-180	0	0	0	0	111.1	T69 L71 V74 V86 T90	V64-T69 HydrophobicContact CG2-CG2 4.05Å; V64-L71 HydrophobicContact CG1-CD2 4.37Å; V64-L71 HydrophobicContact CG1-CG 4.21Å; V64-L71 HydrophobicContact CG2-CD2 4.04Å; V64-L71 HydrophobicContact CG2-CG 4.46Å; V64-V74 HydrophobicContact CG2-CG2 3.84Å; V64-V86 HydrophobicContact CB-CG1 4.38Å; V64-V86 HydrophobicContact CG2-CG1 3.8Å; V64-T90 HydrophobicContact CB-CG2 4.25Å; V64-T90 HydrophobicContact CG1-CG2 3.99Å
65	E	97.8	Very high	98.6	Very high	32 Å²	32	32.1 Å²	32.1	15%	0.15	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-43.8	-176.7	-177.8	167.3	151.9	0	0	112.9	D62 T63 T90 D91 K93	D62-E65 PolarHBondContact O-N 2.98Å; T63-E65 VanDerWaalsContact C-N 3.32Å; E65-T90 HydrophobicContact CB-CG2 4.05Å; E65-D91 WeakPolarHBondContact OE2-CB 3.43Å; E65-D91 PolarHBondContact OE2-N 2.99Å; E65-K93 HydrophobicContact CG-CD 3.98Å; E65-K93 HydrophobicContact CG-CG 4.2Å; E65-K93 WeakPolarHBondContact O-CE 3.34Å; E65-K93 WeakPolarHBondContact O-CG 3.4Å; E65-K93 IonicContact OE1-NZ 3.46Å; E65-K93 PolarHBondContact OE1-NZ 3.13Å
66	D	97.4	Very high	98.6	Very high	57 Å²	57	38.5 Å²	38.5	31%	0.305	21%	0.205	S	C	.	.	H	α-helix	trans	-117.4	2.1	-167.1	-75.9	-20	0	0	0	114.5	Q22 D62 K93	Q22-D66 PolarHBondContact NE2-OD2 2.97Å; D62-D66 PolarHBondContact O-N 3.47Å; D66-K93 WeakPolarHBondContact OD1-CE 3.48Å; D66-K93 IonicContact OD1-NZ 2.93Å; D66-K93 PolarHBondContact OD1-NZ 3.26Å
67	T	98.3	Very high	98.6	Very high	33 Å²	33	42.2 Å²	42.2	20%	0.202	22%	0.222	C	C	.	.	S	Bend	trans	-130.5	-171.6	-178.1	84.6	0	0	0	0	112.3	K18 H19 T63 T69	K18-T67 HydrophobicContact CB-CG2 4.03Å; H19-T67 VanDerWaalsContact CE1-CG2 3.41Å; H19-T67 WeakPolarHBondContact CE1-CG2 3.25Å; H19-T67 WeakPolarHBondContact ND1-CG2 3.37Å; T63-T67 VanDerWaalsContact O-CB 3.3Å; T63-T67 WeakPolarHBondContact O-CB 3.4Å; T63-T67 PolarHBondContact O-N 3.23Å; T63-T67 VanDerWaalsContact O-N 3.15Å; T63-T67 PolarHBondContact O-OG1 2.67Å; T67-T69 PolarHBondContact O-N 3.19Å; T67-T69 WeakPolarHBondContact OG1-CB 3.32Å; T67-T69 PolarHBondContact OG1-N 3.04Å; T67-T69 PolarHBondContact OG1-OG1 2.74Å
68	D	98	Very high	98.6	Very high	120 Å²	120	43.3 Å²	43.3	64%	0.642	23%	0.227	S	C	*	.	S	Bend	trans	-82.6	9.5	176	65.4	-4.9	0	0	0	113.7	K18	K18-D68 WeakPolarHBondContact CD-OD1 3.38Å; K18-D68 IonicContact NZ-OD1 2.97Å; K18-D68 PolarHBondContact NZ-OD1 2.84Å
69	T	98.7	Very high	98.5	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.043	24%	0.241	C	C	.	.			trans	-73.1	138.4	-177.4	-53.5	0	0	0	0	111.6	F14 K18 V64 T67 E73 V74	F14-T69 HydrophobicContact CE1-CG2 3.86Å; F14-T69 HydrophobicContact CZ-CG2 3.86Å; K18-T69 WeakPolarHBondContact CD-OG1 3.41Å; K18-T69 WeakPolarHBondContact CE-OG1 3.3Å; K18-T69 WeakPolarHBondContact CG-OG1 3.47Å; K18-T69 PolarHBondContact NZ-OG1 3.14Å; V64-T69 HydrophobicContact CG2-CG2 4.05Å; T67-T69 PolarHBondContact O-N 3.19Å; T67-T69 WeakPolarHBondContact OG1-CB 3.32Å; T67-T69 PolarHBondContact OG1-N 3.04Å; T67-T69 PolarHBondContact OG1-OG1 2.74Å; T69-E73 WeakPolarHBondContact CA-OE2 3.28Å; T69-E73 HydrophobicContact CG2-CB 4.47Å; T69-V74 HydrophobicContact CG2-CG2 3.81Å
70	T	98.7	Very high	98.5	Very high	72 Å²	72	46.9 Å²	46.9	44%	0.442	26%	0.255	S	S	.	.			trans	-105.8	158.3	172.6	70.7	0	0	0	0	111.6	D72 E73 V74	T70-D72 PolarHBondContact O-N 3.47Å; T70-E73 WeakPolarHBondContact O-CB 3.46Å; T70-E73 PolarHBondContact O-N 3.33Å; T70-E73 PolarHBondContact OG1-N 3.11Å; T70-E73 VanDerWaalsContact OG1-N 3.13Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.08Å
71	L	98.6	Very high	98.5	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.188	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-35.4	173.5	-71.3	170.7	0	0	0	111.9	V64 E73 V74 E75 R83 V86 E87	V64-L71 HydrophobicContact CG1-CD2 4.37Å; V64-L71 HydrophobicContact CG1-CG 4.21Å; V64-L71 HydrophobicContact CG2-CD2 4.04Å; V64-L71 HydrophobicContact CG2-CG 4.46Å; L71-E73 VanDerWaalsContact C-N 3.32Å; L71-E73 PolarHBondContact O-N 2.89Å; L71-V74 PolarHBondContact O-N 2.91Å; L71-E75 PolarHBondContact O-N 3.03Å; L71-R83 HydrophobicContact CB-CG 4.11Å; L71-R83 HydrophobicContact CD2-CG 4.23Å; L71-R83 WeakPolarHBondContact O-CG 3.33Å; L71-V86 HydrophobicContact CD2-CG1 4.38Å; L71-E87 HydrophobicContact CD1-CB 4.13Å; L71-E87 HydrophobicContact CD1-CG 3.86Å; L71-E87 WeakPolarHBondContact CD1-OE1 3.24Å; L71-E87 HydrophobicContact CD2-CB 3.86Å; L71-E87 HydrophobicContact CD2-CG 4.49Å
72	D	98.7	Very high	98.5	Very high	119 Å²	119	53.3 Å²	53.3	64%	0.636	29%	0.285	S	S	*	.	H	α-helix	trans	-64.9	-37	176.7	-62.8	-14.1	0	0	0	111.6	T70 E75 L76	T70-D72 PolarHBondContact O-N 3.47Å; D72-E75 PolarHBondContact O-N 3.39Å; D72-L76 WeakPolarHBondContact O-CB 3.45Å; D72-L76 PolarHBondContact O-N 2.92Å
73	E	98.8	Very high	98.5	Very high	50 Å²	50	55 Å²	55	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-43.6	172.6	-171.4	-178.6	-170.4	0	0	110.7	F14 K18 T69 T70 L71 E75 L76 H77	F14-E73 HydrophobicContact CE2-CG 4.15Å; F14-E73 HydrophobicContact CZ-CG 3.97Å; K18-E73 VanDerWaalsContact CE-OE1 3.25Å; K18-E73 WeakPolarHBondContact CE-OE1 3.34Å; K18-E73 VanDerWaalsContact NZ-CD 3.27Å; K18-E73 IonicContact NZ-OE1 2.99Å; K18-E73 PolarHBondContact NZ-OE1 3.11Å; K18-E73 IonicContact NZ-OE2 2.95Å; K18-E73 PolarHBondContact NZ-OE2 3.2Å; T69-E73 WeakPolarHBondContact CA-OE2 3.28Å; T69-E73 HydrophobicContact CG2-CB 4.47Å; T70-E73 WeakPolarHBondContact O-CB 3.46Å; T70-E73 PolarHBondContact O-N 3.33Å; T70-E73 PolarHBondContact OG1-N 3.11Å; T70-E73 VanDerWaalsContact OG1-N 3.13Å; L71-E73 VanDerWaalsContact C-N 3.32Å; L71-E73 PolarHBondContact O-N 2.89Å; E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 3.36Å; E73-L76 PolarHBondContact O-N 3.11Å; E73-H77 PolarHBondContact O-CD2 3.13Å; E73-H77 VanDerWaalsContact O-CD2 3.25Å; E73-H77 PolarHBondContact O-N 2.76Å; E73-H77 VanDerWaalsContact O-N 3.17Å
74	V	98.8	Very high	98.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-44.2	175.4	178.2	0	0	0	0	111.1	V64 T69 T70 L71 H77 F78 V82 R83 V86	V64-V74 HydrophobicContact CG2-CG2 3.84Å; T69-V74 HydrophobicContact CG2-CG2 3.81Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.08Å; L71-V74 PolarHBondContact O-N 2.91Å; V74-H77 PolarHBondContact O-N 3.26Å; V74-F78 HydrophobicContact CG1-CD2 4.09Å; V74-F78 WeakPolarHBondContact O-CB 3.44Å; V74-F78 WeakPolarHBondContact O-CD2 3.34Å; V74-F78 PolarHBondContact O-N 3.41Å; V74-V82 HydrophobicContact CG1-CG1 4.17Å; V74-R83 HydrophobicContact CB-CB 4.44Å; V74-R83 HydrophobicContact CG1-CB 4.07Å; V74-V86 HydrophobicContact CG1-CB 4.43Å; V74-V86 HydrophobicContact CG1-CG2 4.19Å
75	E	98.7	Very high	98.5	Very high	69 Å²	69	61.6 Å²	61.6	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-39.8	178.3	-178.3	155.8	-166.6	0	0	112.5	L71 D72 E73 H77 G79 T80 R83	L71-E75 PolarHBondContact O-N 3.03Å; D72-E75 PolarHBondContact O-N 3.39Å; E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 3.36Å; E75-H77 VanDerWaalsContact C-N 3.32Å; E75-H77 PolarHBondContact O-N 2.84Å; E75-G79 WeakPolarHBondContact O-CA 3.45Å; E75-G79 PolarHBondContact O-N 3.18Å; E75-T80 WeakPolarHBondContact OE1-CB 3.35Å; E75-T80 PolarHBondContact OE1-OG1 3.31Å; E75-R83 HydrophobicContact CB-CB 3.85Å; E75-R83 HydrophobicContact CB-CG 3.89Å; E75-R83 IonicContact OE2-NE 3.78Å
76	L	98.4	Very high	98.6	Very high	142 Å²	142	60.1 Å²	60.1	74%	0.743	31%	0.306	S	S	*	.	H	α-helix	trans	-59.4	-42.4	177.8	178.8	64.5	0	0	0	112.2	D72 E73	D72-L76 WeakPolarHBondContact O-CB 3.45Å; D72-L76 PolarHBondContact O-N 2.92Å; E73-L76 PolarHBondContact O-N 3.11Å
77	H	98.4	Very high	98.6	Very high	92 Å²	92	61.3 Å²	61.3	43%	0.426	31%	0.31	S	S	.	.	H	α-helix	trans	-89.4	-35.5	-175.1	-75.2	-86.3	0	0	0	113.7	E73 V74 E75	E73-H77 PolarHBondContact O-CD2 3.13Å; E73-H77 VanDerWaalsContact O-CD2 3.25Å; E73-H77 PolarHBondContact O-N 2.76Å; E73-H77 VanDerWaalsContact O-N 3.17Å; V74-H77 PolarHBondContact O-N 3.26Å; E75-H77 VanDerWaalsContact C-N 3.32Å; E75-H77 PolarHBondContact O-N 2.84Å
78	F	98.6	Very high	98.7	Very high	23 Å²	23	62.8 Å²	62.8	10%	0.101	32%	0.315	C	S	.	.	H	α-helix	trans	-122.4	-6.2	-168	-52	-73.6	0	0	0	113.9	E10 A11 F14 L60 V74 V82	E10-F78 HydrophobicContact CB-CE1 4.4Å; E10-F78 HydrophobicContact CG-CE1 3.95Å; A11-F78 HydrophobicContact CB-CD1 4.45Å; A11-F78 HydrophobicContact CB-CE1 3.89Å; A11-F78 HydrophobicContact CB-CZ 4.45Å; F14-F78 HydrophobicContact CB-CE2 4.35Å; F14-F78 HydrophobicContact CB-CZ 3.7Å; F14-F78 HydrophobicContact CD1-CE2 4.09Å; F14-F78 HydrophobicContact CD1-CZ 4.28Å; F14-F78 AromaticContact CD2-CE2 3.99Å; F14-F78 HydrophobicContact CD2-CE2 3.99Å; F14-F78 AromaticContact CD2-CZ 3.99Å; F14-F78 HydrophobicContact CD2-CZ 3.99Å; F14-F78 HydrophobicContact CE1-CE2 4.39Å; F14-F78 HydrophobicContact CE2-CE2 4.31Å; F14-F78 AromaticContact CG-CE2 3.88Å; F14-F78 HydrophobicContact CG-CE2 3.88Å; F14-F78 AromaticContact CG-CZ 3.74Å; F14-F78 HydrophobicContact CG-CZ 3.74Å; L60-F78 HydrophobicContact CD1-CD1 4.12Å; L60-F78 HydrophobicContact CD1-CD2 3.53Å; L60-F78 HydrophobicContact CD1-CE1 4.22Å; L60-F78 HydrophobicContact CD1-CE2 3.64Å; L60-F78 HydrophobicContact CD1-CG 3.79Å; L60-F78 HydrophobicContact CD1-CZ 3.99Å; L60-F78 HydrophobicContact CD2-CE2 4.05Å; L60-F78 HydrophobicContact CD2-CZ 4.15Å; V74-F78 HydrophobicContact CG1-CD2 4.09Å; V74-F78 WeakPolarHBondContact O-CB 3.44Å; V74-F78 WeakPolarHBondContact O-CD2 3.34Å; V74-F78 PolarHBondContact O-N 3.41Å; F78-V82 HydrophobicContact CB-CB 3.74Å; F78-V82 HydrophobicContact CB-CG1 3.73Å; F78-V82 HydrophobicContact CB-CG2 4.05Å; F78-V82 HydrophobicContact CG-CG1 4.38Å
79	G	98.6	Very high	98.7	Very high	29 Å²	29	58 Å²	58	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	81.9	167.7	178.7	0	0	0	0	0	114.4	E75 Q81 V82 R83	E75-G79 WeakPolarHBondContact O-CA 3.45Å; E75-G79 PolarHBondContact O-N 3.18Å; G79-Q81 VanDerWaalsContact C-N 3.28Å; G79-Q81 PolarHBondContact O-N 3.04Å; G79-V82 PolarHBondContact O-N 3.39Å; G79-R83 PolarHBondContact O-N 3.42Å; G79-R83 VanDerWaalsContact O-N 3.09Å
80	T	98.7	Very high	98.7	Very high	56 Å²	56	59.4 Å²	59.4	34%	0.344	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-33.9	-171.2	-42.9	0	0	0	0	113.6	E75 R83 R84	E75-T80 WeakPolarHBondContact OE1-CB 3.35Å; E75-T80 PolarHBondContact OE1-OG1 3.31Å; T80-R83 PolarHBondContact O-N 2.96Å; T80-R84 HydrophobicContact CG2-CG 4.45Å; T80-R84 VanDerWaalsContact O-CG 3.3Å; T80-R84 WeakPolarHBondContact O-CG 3.5Å; T80-R84 PolarHBondContact O-N 2.91Å
81	Q	98.6	Very high	98.6	Very high	140 Å²	140	57.4 Å²	57.4	65%	0.654	29%	0.285	S	S	*	.	H	α-helix	trans	-66.8	-45.7	-178	-64.3	-177.5	52.1	0	0	111.5	V53 G79 R84 L85	V53-Q81 HydrophobicContact CG1-CB 3.71Å; V53-Q81 HydrophobicContact CG2-CB 4.42Å; G79-Q81 VanDerWaalsContact C-N 3.28Å; G79-Q81 PolarHBondContact O-N 3.04Å; Q81-R84 PolarHBondContact O-N 3.47Å; Q81-L85 PolarHBondContact O-N 3.34Å
82	V	98.9	Very high	98.4	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-66.6	-44.9	175.9	177.2	0	0	0	0	110.1	V53 Q56 L60 V74 F78 G79 R84 L85 V86	V53-V82 HydrophobicContact CB-CG2 4.33Å; V53-V82 HydrophobicContact CG1-CB 4.48Å; V53-V82 HydrophobicContact CG1-CG2 3.69Å; Q56-V82 HydrophobicContact CB-CG1 4.25Å; Q56-V82 HydrophobicContact CB-CG2 4.1Å; L60-V82 HydrophobicContact CD1-CG1 3.81Å; V74-V82 HydrophobicContact CG1-CG1 4.17Å; F78-V82 HydrophobicContact CB-CB 3.74Å; F78-V82 HydrophobicContact CB-CG1 3.73Å; F78-V82 HydrophobicContact CB-CG2 4.05Å; F78-V82 HydrophobicContact CG-CG1 4.38Å; G79-V82 PolarHBondContact O-N 3.39Å; V82-R84 VanDerWaalsContact C-N 3.31Å; V82-R84 PolarHBondContact O-N 2.91Å; V82-L85 PolarHBondContact O-N 3.48Å; V82-L85 VanDerWaalsContact O-N 3.16Å; V82-V86 HydrophobicContact CG1-CG2 4.2Å; V82-V86 WeakPolarHBondContact O-CG2 3.46Å; V82-V86 PolarHBondContact O-N 3.18Å
83	R	98.8	Very high	98.1	Very high	48 Å²	48	58 Å²	58	18%	0.181	28%	0.284	C	S	.	.	H	α-helix	trans	-54.9	-43.8	177.1	178.1	-101.2	-172.6	-141.7	-13.1	112.9	L71 V74 E75 G79 T80 V86 E87	L71-R83 HydrophobicContact CB-CG 4.11Å; L71-R83 HydrophobicContact CD2-CG 4.23Å; L71-R83 WeakPolarHBondContact O-CG 3.33Å; V74-R83 HydrophobicContact CB-CB 4.44Å; V74-R83 HydrophobicContact CG1-CB 4.07Å; E75-R83 HydrophobicContact CB-CB 3.85Å; E75-R83 HydrophobicContact CB-CG 3.89Å; E75-R83 IonicContact OE2-NE 3.78Å; G79-R83 PolarHBondContact O-N 3.42Å; G79-R83 VanDerWaalsContact O-N 3.09Å; T80-R83 PolarHBondContact O-N 2.96Å; R83-V86 PolarHBondContact O-N 3.38Å; R83-E87 IonicContact CZ-OE1 3.26Å; R83-E87 VanDerWaalsContact CZ-OE1 3.26Å; R83-E87 IonicContact CZ-OE2 3.64Å; R83-E87 IonicContact NH1-OE1 3.05Å; R83-E87 PolarHBondContact NH1-OE1 3.29Å; R83-E87 IonicContact NH1-OE2 2.75Å; R83-E87 PolarHBondContact NH1-OE2 2.85Å; R83-E87 IonicContact NH2-OE1 2.83Å; R83-E87 PolarHBondContact NH2-OE1 3.37Å; R83-E87 IonicContact NH2-OE2 3.97Å; R83-E87 WeakPolarHBondContact O-CB 3.26Å; R83-E87 PolarHBondContact O-N 3Å
84	R	98.8	Very high	97.9	Very high	151 Å²	151	61.4 Å²	61.4	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-63.8	-43.7	177.4	-75	175.7	-174.9	175.7	4.1	112.3	T80 Q81 V82 V86 E87 E88	T80-R84 HydrophobicContact CG2-CG 4.45Å; T80-R84 VanDerWaalsContact O-CG 3.3Å; T80-R84 WeakPolarHBondContact O-CG 3.5Å; T80-R84 PolarHBondContact O-N 2.91Å; Q81-R84 PolarHBondContact O-N 3.47Å; V82-R84 VanDerWaalsContact C-N 3.31Å; V82-R84 PolarHBondContact O-N 2.91Å; R84-V86 VanDerWaalsContact C-N 3.35Å; R84-E87 WeakPolarHBondContact O-CB 3.42Å; R84-E87 PolarHBondContact O-N 3.26Å; R84-E88 WeakPolarHBondContact O-CG 3.46Å; R84-E88 PolarHBondContact O-N 2.83Å
85	L	98.9	Very high	97.8	Very high	17 Å²	17	63.8 Å²	63.8	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-41.6	176.5	-70.4	-177	0	0	0	111.8	V53 V54 A57 Q81 V82 E87 E88 V89 S112 A115	V53-L85 HydrophobicContact CG1-CD1 3.82Å; V54-L85 HydrophobicContact CG2-CD1 4.17Å; A57-L85 HydrophobicContact CB-CB 3.6Å; A57-L85 HydrophobicContact CB-CD1 3.9Å; A57-L85 HydrophobicContact CB-CG 4.43Å; Q81-L85 PolarHBondContact O-N 3.34Å; V82-L85 PolarHBondContact O-N 3.48Å; V82-L85 VanDerWaalsContact O-N 3.16Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E88 PolarHBondContact O-N 3.13Å; L85-V89 WeakPolarHBondContact O-CG2 3.12Å; L85-V89 PolarHBondContact O-N 3.06Å; L85-S112 WeakPolarHBondContact CD2-OG 3.48Å; L85-A115 HydrophobicContact CD2-CB 4.27Å
86	V	98.9	Very high	97.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-41.6	175.7	173.9	0	0	0	0	111	A57 L60 V64 L71 V74 V82 R83 R84 E88 V89 T90	A57-V86 HydrophobicContact CB-CG2 4.35Å; L60-V86 HydrophobicContact CB-CG2 3.93Å; V64-V86 HydrophobicContact CB-CG1 4.38Å; V64-V86 HydrophobicContact CG2-CG1 3.8Å; L71-V86 HydrophobicContact CD2-CG1 4.38Å; V74-V86 HydrophobicContact CG1-CB 4.43Å; V74-V86 HydrophobicContact CG1-CG2 4.19Å; V82-V86 HydrophobicContact CG1-CG2 4.2Å; V82-V86 WeakPolarHBondContact O-CG2 3.46Å; V82-V86 PolarHBondContact O-N 3.18Å; R83-V86 PolarHBondContact O-N 3.38Å; R84-V86 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 3.27Å; V86-V89 WeakPolarHBondContact O-CG2 3.24Å; V86-V89 PolarHBondContact O-N 3.24Å; V86-T90 WeakPolarHBondContact O-CB 3.28Å; V86-T90 PolarHBondContact O-N 3.14Å; V86-T90 VanDerWaalsContact O-N 3.08Å; V86-T90 PolarHBondContact O-OG1 3.29Å
87	E	98.7	Very high	97.4	Very high	83 Å²	83	63.5 Å²	63.5	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-45	174.4	-174	173.9	-121.4	0	0	112	L71 R83 R84 L85 V89 T90	L71-E87 HydrophobicContact CD1-CB 4.13Å; L71-E87 HydrophobicContact CD1-CG 3.86Å; L71-E87 WeakPolarHBondContact CD1-OE1 3.24Å; L71-E87 HydrophobicContact CD2-CB 3.86Å; L71-E87 HydrophobicContact CD2-CG 4.49Å; R83-E87 IonicContact CZ-OE1 3.26Å; R83-E87 VanDerWaalsContact CZ-OE1 3.26Å; R83-E87 IonicContact CZ-OE2 3.64Å; R83-E87 IonicContact NH1-OE1 3.05Å; R83-E87 PolarHBondContact NH1-OE1 3.29Å; R83-E87 IonicContact NH1-OE2 2.75Å; R83-E87 PolarHBondContact NH1-OE2 2.85Å; R83-E87 IonicContact NH2-OE1 2.83Å; R83-E87 PolarHBondContact NH2-OE1 3.37Å; R83-E87 IonicContact NH2-OE2 3.97Å; R83-E87 WeakPolarHBondContact O-CB 3.26Å; R83-E87 PolarHBondContact O-N 3Å; R84-E87 WeakPolarHBondContact O-CB 3.42Å; R84-E87 PolarHBondContact O-N 3.26Å; L85-E87 VanDerWaalsContact C-N 3.34Å; E87-V89 PolarHBondContact O-N 3.48Å; E87-T90 PolarHBondContact O-N 2.92Å
88	E	98.7	Very high	97.3	Very high	64 Å²	64	66 Å²	66	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-65.7	-20.8	179.9	-72.5	-173.6	-100.6	0	0	114.6	R84 L85 V86 S112 A115 K119	R84-E88 WeakPolarHBondContact O-CG 3.46Å; R84-E88 PolarHBondContact O-N 2.83Å; L85-E88 PolarHBondContact O-N 3.13Å; V86-E88 PolarHBondContact O-N 3.27Å; E88-S112 VanDerWaalsContact CD-OG 3.28Å; E88-S112 VanDerWaalsContact OE1-CB 3.26Å; E88-S112 WeakPolarHBondContact OE1-CB 3.41Å; E88-S112 PolarHBondContact OE1-OG 3.23Å; E88-S112 WeakPolarHBondContact OE2-CB 3.24Å; E88-S112 PolarHBondContact OE2-N 3.06Å; E88-S112 PolarHBondContact OE2-OG 3.28Å; E88-A115 HydrophobicContact CB-CB 3.67Å; E88-A115 HydrophobicContact CG-CB 4.37Å; E88-K119 WeakPolarHBondContact O-CE 3.21Å; E88-K119 PolarHBondContact O-NZ 3.24Å
89	V	98.6	Very high	97.2	Very high	18 Å²	18	67.6 Å²	67.6	11%	0.109	35%	0.345	C	S	.	.	H	α-helix	trans	-107.6	0.5	-179.1	-55.5	0	0	0	0	113.5	H61 L85 V86 E87 A115 V118 K119	H61-V89 HydrophobicContact CB-CG2 3.65Å; L85-V89 WeakPolarHBondContact O-CG2 3.12Å; L85-V89 PolarHBondContact O-N 3.06Å; V86-V89 WeakPolarHBondContact O-CG2 3.24Å; V86-V89 PolarHBondContact O-N 3.24Å; E87-V89 PolarHBondContact O-N 3.48Å; V89-A115 HydrophobicContact CG1-CB 4.1Å; V89-V118 HydrophobicContact CG1-CB 4.17Å; V89-V118 HydrophobicContact CG1-CG1 4.1Å; V89-K119 HydrophobicContact CG1-CG 4.04Å
90	T	98.5	Very high	97.1	Very high	37 Å²	37	68.5 Å²	68.5	23%	0.227	34%	0.34	C	S	.	.			trans	-90.6	121.9	176.3	-64.3	0	0	0	0	110	V64 E65 V86 E87	V64-T90 HydrophobicContact CB-CG2 4.25Å; V64-T90 HydrophobicContact CG1-CG2 3.99Å; E65-T90 HydrophobicContact CB-CG2 4.05Å; V86-T90 WeakPolarHBondContact O-CB 3.28Å; V86-T90 PolarHBondContact O-N 3.14Å; V86-T90 VanDerWaalsContact O-N 3.08Å; V86-T90 PolarHBondContact O-OG1 3.29Å; E87-T90 PolarHBondContact O-N 2.92Å
91	D	96.7	Very high	97	Very high	30 Å²	30	68.1 Å²	68.1	16%	0.16	33%	0.333	C	S	.	.			trans	-73.9	141.8	170.6	-80.9	-7.7	0	0	0	111.4	E65 K93 Q104	E65-D91 WeakPolarHBondContact OE2-CB 3.43Å; E65-D91 PolarHBondContact OE2-N 2.99Å; D91-K93 PolarHBondContact O-N 3.5Å; D91-Q104 VanDerWaalsContact CG-NE2 3.29Å; D91-Q104 VanDerWaalsContact OD1-CG 3.32Å; D91-Q104 WeakPolarHBondContact OD1-CG 3.08Å; D91-Q104 PolarHBondContact OD1-NE2 3.33Å; D91-Q104 VanDerWaalsContact OD1-NE2 3.11Å; D91-Q104 PolarHBondContact OD2-NE2 3.42Å
92	D	94.9	Very high	97	Very high	83 Å²	83	67.1 Å²	67.1	44%	0.444	32%	0.324	S	S	.	.			trans	-69.9	99.4	170.9	-179.4	-5.7	0	0	0	111	T94 L95 R100	D92-T94 VanDerWaalsContact CG-OG1 3.25Å; D92-T94 PolarHBondContact O-N 3.32Å; D92-T94 VanDerWaalsContact O-N 3.12Å; D92-T94 VanDerWaalsContact OD1-CB 3.27Å; D92-T94 WeakPolarHBondContact OD1-CB 3.44Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.44Å; D92-T94 PolarHBondContact OD1-N 3.18Å; D92-T94 PolarHBondContact OD1-OG1 3.25Å; D92-T94 PolarHBondContact OD2-OG1 3.24Å; D92-L95 HydrophobicContact CB-CD1 4.05Å; D92-L95 HydrophobicContact CB-CG 4.26Å; D92-L95 PolarHBondContact O-N 2.89Å; D92-L95 VanDerWaalsContact O-N 3.14Å; D92-R100 WeakPolarHBondContact O-CD 3.46Å
93	K	92	Very high	96.9	Very high	85 Å²	85	69.4 Å²	69.4	37%	0.37	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.1	-179	-68.2	-62.2	-149.6	-155.3	0	114.5	E65 D66 D91 L95	E65-K93 HydrophobicContact CG-CD 3.98Å; E65-K93 HydrophobicContact CG-CG 4.2Å; E65-K93 WeakPolarHBondContact O-CE 3.34Å; E65-K93 WeakPolarHBondContact O-CG 3.4Å; E65-K93 IonicContact OE1-NZ 3.46Å; E65-K93 PolarHBondContact OE1-NZ 3.13Å; D66-K93 WeakPolarHBondContact OD1-CE 3.48Å; D66-K93 IonicContact OD1-NZ 2.93Å; D66-K93 PolarHBondContact OD1-NZ 3.26Å; D91-K93 PolarHBondContact O-N 3.5Å; K93-L95 PolarHBondContact O-N 2.88Å
94	T	94.9	Very high	96.9	Very high	121 Å²	121	68.7 Å²	68.7	74%	0.742	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.8	175	74.1	0	0	0	0	112.4	D92	D92-T94 VanDerWaalsContact CG-OG1 3.25Å; D92-T94 PolarHBondContact O-N 3.32Å; D92-T94 VanDerWaalsContact O-N 3.12Å; D92-T94 VanDerWaalsContact OD1-CB 3.27Å; D92-T94 WeakPolarHBondContact OD1-CB 3.44Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.44Å; D92-T94 PolarHBondContact OD1-N 3.18Å; D92-T94 PolarHBondContact OD1-OG1 3.25Å; D92-T94 PolarHBondContact OD2-OG1 3.24Å
95	L	96.1	Very high	96.8	Very high	51 Å²	51	63.4 Å²	63.4	27%	0.267	32%	0.319	S	S	.	.	S	Bend	trans	-85.5	150.2	-179.6	-62.2	176.2	0	0	0	112.6	D92 K93 E99 R100 L103	D92-L95 HydrophobicContact CB-CD1 4.05Å; D92-L95 HydrophobicContact CB-CG 4.26Å; D92-L95 PolarHBondContact O-N 2.89Å; D92-L95 VanDerWaalsContact O-N 3.14Å; K93-L95 PolarHBondContact O-N 2.88Å; L95-E99 HydrophobicContact CB-CB 4.39Å; L95-E99 HydrophobicContact CB-CG 4.3Å; L95-E99 HydrophobicContact CD1-CG 4.16Å; L95-R100 HydrophobicContact CB-CG 3.85Å; L95-R100 PolarHBondContact O-NH1 3.44Å; L95-L103 HydrophobicContact CD1-CD1 3.4Å; L95-L103 VanDerWaalsContact CD1-CD1 3.4Å
96	P	96.9	Very high	96.8	Very high	92 Å²	92	66.5 Å²	66.5	60%	0.597	33%	0.333	S	S	*	.			trans	-57.3	146.9	172.3	-23.7	33.7	0	0	0	112.3	L98 E99 R100	P96-L98 VanDerWaalsContact C-N 3.27Å; P96-L98 PolarHBondContact O-N 3.01Å; P96-L98 VanDerWaalsContact O-N 3.12Å; P96-E99 HydrophobicContact CB-CB 4.46Å; P96-E99 WeakPolarHBondContact O-CA 3.36Å; P96-E99 WeakPolarHBondContact O-CB 3.27Å; P96-E99 PolarHBondContact O-N 3.22Å; P96-R100 PolarHBondContact O-N 3.3Å
97	K	93.1	Very high	96.7	Very high	112 Å²	112	71.2 Å²	71.2	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-52.4	-40.4	-177.2	-177	-177.2	175.7	-169	0	114.2	E99 K101	K97-E99 VanDerWaalsContact C-N 3.31Å; K97-K101 PolarHBondContact O-N 2.56Å; K97-K101 VanDerWaalsContact O-N 3.11Å
98	L	95	Very high	96.7	Very high	146 Å²	146	67.3 Å²	67.3	76%	0.764	34%	0.336	S	S	*	.	H	α-helix	trans	-65.1	-37.4	178.3	-70.2	175.9	0	0	0	111.7	P96 K101 R102	P96-L98 VanDerWaalsContact C-N 3.27Å; P96-L98 PolarHBondContact O-N 3.01Å; P96-L98 VanDerWaalsContact O-N 3.12Å; L98-K101 PolarHBondContact O-N 3.38Å; L98-R102 PolarHBondContact O-N 2.77Å
99	E	97.3	Very high	96.6	Very high	55 Å²	55	67.2 Å²	67.2	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-69.2	-42.5	178.7	-175.2	62.8	-177.5	0	0	111.5	L95 P96 K97 K101 R102 L103	L95-E99 HydrophobicContact CB-CB 4.39Å; L95-E99 HydrophobicContact CB-CG 4.3Å; L95-E99 HydrophobicContact CD1-CG 4.16Å; P96-E99 HydrophobicContact CB-CB 4.46Å; P96-E99 WeakPolarHBondContact O-CA 3.36Å; P96-E99 WeakPolarHBondContact O-CB 3.27Å; P96-E99 PolarHBondContact O-N 3.22Å; K97-E99 VanDerWaalsContact C-N 3.31Å; E99-K101 VanDerWaalsContact C-N 3.32Å; E99-K101 PolarHBondContact O-N 3.19Å; E99-R102 VanDerWaalsContact CD-NH2 3.34Å; E99-R102 WeakPolarHBondContact O-CB 3.39Å; E99-R102 PolarHBondContact O-N 3.26Å; E99-R102 VanDerWaalsContact O-N 3.12Å; E99-R102 IonicContact OE1-CZ 3.22Å; E99-R102 IonicContact OE1-NE 2.84Å; E99-R102 IonicContact OE1-NH2 3.46Å; E99-R102 PolarHBondContact OE1-NH2 3.3Å; E99-R102 IonicContact OE2-CZ 3.27Å; E99-R102 IonicContact OE2-NE 2.7Å; E99-R102 PolarHBondContact OE2-NE 3.26Å; E99-R102 IonicContact OE2-NH2 3.58Å; E99-R102 PolarHBondContact OE2-NH2 3.08Å; E99-L103 HydrophobicContact CG-CD1 4.42Å; E99-L103 WeakPolarHBondContact O-CG 3.26Å; E99-L103 PolarHBondContact O-N 2.95Å
100	R	97.1	Very high	96.6	Very high	49 Å²	49	73.3 Å²	73.3	19%	0.185	37%	0.368	C	S	.	.	H	α-helix	trans	-59.9	-43.3	174	-55.7	-167	-43.7	-136.8	10.5	111.9	D92 L95 P96 R102 L103 Q104	D92-R100 WeakPolarHBondContact O-CD 3.46Å; L95-R100 HydrophobicContact CB-CG 3.85Å; L95-R100 PolarHBondContact O-NH1 3.44Å; P96-R100 PolarHBondContact O-N 3.3Å; R100-R102 VanDerWaalsContact C-N 3.31Å; R100-R102 PolarHBondContact O-N 3.18Å; R100-L103 PolarHBondContact O-N 3.02Å; R100-Q104 PolarHBondContact O-N 3.42Å
101	K	96.1	Very high	96.6	Very high	47 Å²	47	72.1 Å²	72.1	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-58.9	-41	174.4	-82.2	-161.9	162.4	-150.5	0	112.7	K97 L98 E99 W149	K97-K101 PolarHBondContact O-N 2.56Å; K97-K101 VanDerWaalsContact O-N 3.11Å; L98-K101 PolarHBondContact O-N 3.38Å; E99-K101 VanDerWaalsContact C-N 3.32Å; E99-K101 PolarHBondContact O-N 3.19Å; K101-W149 HydrophobicContact CD-CD2 4Å; K101-W149 HydrophobicContact CD-CG 3.93Å; K101-W149 HydrophobicContact CG-CD2 4.2Å; K101-W149 HydrophobicContact CG-CG 4.41Å; K101-W149 HydrophobicContact CG-CZ2 3.97Å; K101-W149 PolarHBondContact O-NE1 3.49Å
102	R	97.8	Very high	96.7	Very high	120 Å²	120	72.4 Å²	72.4	45%	0.453	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-48.2	176.3	-177.3	175.4	77.6	105.3	-8.4	111.2	L98 E99 R100 Q104 V105 E106	L98-R102 PolarHBondContact O-N 2.77Å; E99-R102 VanDerWaalsContact CD-NH2 3.34Å; E99-R102 WeakPolarHBondContact O-CB 3.39Å; E99-R102 PolarHBondContact O-N 3.26Å; E99-R102 VanDerWaalsContact O-N 3.12Å; E99-R102 IonicContact OE1-CZ 3.22Å; E99-R102 IonicContact OE1-NE 2.84Å; E99-R102 IonicContact OE1-NH2 3.46Å; E99-R102 PolarHBondContact OE1-NH2 3.3Å; E99-R102 IonicContact OE2-CZ 3.27Å; E99-R102 IonicContact OE2-NE 2.7Å; E99-R102 PolarHBondContact OE2-NE 3.26Å; E99-R102 IonicContact OE2-NH2 3.58Å; E99-R102 PolarHBondContact OE2-NH2 3.08Å; R100-R102 VanDerWaalsContact C-N 3.31Å; R100-R102 PolarHBondContact O-N 3.18Å; R102-Q104 VanDerWaalsContact C-N 3.33Å; R102-Q104 PolarHBondContact O-N 2.89Å; R102-V105 WeakPolarHBondContact O-CB 3.46Å; R102-V105 PolarHBondContact O-N 3.5Å; R102-E106 WeakPolarHBondContact CG-OE1 3.49Å; R102-E106 IonicContact CZ-OE1 2.83Å; R102-E106 IonicContact NE-OE1 3.79Å; R102-E106 IonicContact NH1-OE1 3.24Å; R102-E106 PolarHBondContact NH1-OE1 2.87Å; R102-E106 IonicContact NH1-OE2 3.66Å; R102-E106 PolarHBondContact O-N 3.09Å
103	L	97.6	Very high	96.9	Very high	48 Å²	48	73.2 Å²	73.2	25%	0.251	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-37.5	178.4	-71.7	173.8	0	0	0	112.7	L95 E99 R100 V105 E106 Q107	L95-L103 HydrophobicContact CD1-CD1 3.4Å; L95-L103 VanDerWaalsContact CD1-CD1 3.4Å; E99-L103 HydrophobicContact CG-CD1 4.42Å; E99-L103 WeakPolarHBondContact O-CG 3.26Å; E99-L103 PolarHBondContact O-N 2.95Å; R100-L103 PolarHBondContact O-N 3.02Å; L103-V105 PolarHBondContact O-N 3.01Å; L103-E106 PolarHBondContact O-N 3.15Å; L103-Q107 VanDerWaalsContact O-CB 3.28Å; L103-Q107 WeakPolarHBondContact O-CB 3.43Å; L103-Q107 VanDerWaalsContact O-CG 3.26Å; L103-Q107 WeakPolarHBondContact O-CG 3.49Å; L103-Q107 PolarHBondContact O-N 3.5Å
104	Q	97.8	Very high	97.2	Very high	33 Å²	33	69.7 Å²	69.7	15%	0.154	36%	0.364	C	S	.	.	H	α-helix	trans	-58.8	-35.6	174.2	-76.3	-165.9	38	0	0	112.6	D91 R100 R102 A108 W149 V153	D91-Q104 VanDerWaalsContact CG-NE2 3.29Å; D91-Q104 VanDerWaalsContact OD1-CG 3.32Å; D91-Q104 WeakPolarHBondContact OD1-CG 3.08Å; D91-Q104 PolarHBondContact OD1-NE2 3.33Å; D91-Q104 VanDerWaalsContact OD1-NE2 3.11Å; D91-Q104 PolarHBondContact OD2-NE2 3.42Å; R100-Q104 PolarHBondContact O-N 3.42Å; R102-Q104 VanDerWaalsContact C-N 3.33Å; R102-Q104 PolarHBondContact O-N 2.89Å; Q104-A108 WeakPolarHBondContact O-CB 3.13Å; Q104-A108 PolarHBondContact O-N 3.3Å; Q104-W149 HydrophobicContact CB-CZ2 4.2Å; Q104-W149 HydrophobicContact CG-CZ2 4.35Å; Q104-W149 VanDerWaalsContact OE1-CZ2 3.23Å; Q104-V153 HydrophobicContact CB-CG2 3.99Å
105	V	98.3	Very high	97.4	Very high	40 Å²	40	64 Å²	64	24%	0.242	33%	0.329	C	S	.	.	H	α-helix	trans	-72.3	-47	176.2	178.8	0	0	0	0	110.6	R102 L103 Q107 Q152 V153	R102-V105 WeakPolarHBondContact O-CB 3.46Å; R102-V105 PolarHBondContact O-N 3.5Å; L103-V105 PolarHBondContact O-N 3.01Å; V105-Q107 PolarHBondContact O-N 3.3Å; V105-Q152 HydrophobicContact CG1-CB 4.16Å; V105-Q152 HydrophobicContact CG2-CB 3.82Å; V105-V153 HydrophobicContact CG2-CG2 3.63Å
106	E	98	Very high	97.5	Very high	83 Å²	83	63 Å²	63	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-65.7	-37.5	-177.9	-68.7	176.4	-172.2	0	0	112.4	R102 L103 P109 H110	R102-E106 WeakPolarHBondContact CG-OE1 3.49Å; R102-E106 IonicContact CZ-OE1 2.83Å; R102-E106 IonicContact NE-OE1 3.79Å; R102-E106 IonicContact NH1-OE1 3.24Å; R102-E106 PolarHBondContact NH1-OE1 2.87Å; R102-E106 IonicContact NH1-OE2 3.66Å; R102-E106 PolarHBondContact O-N 3.09Å; L103-E106 PolarHBondContact O-N 3.15Å; E106-P109 WeakPolarHBondContact O-CD 3.49Å; E106-H110 PolarHBondContact O-CD2 2.92Å; E106-H110 VanDerWaalsContact O-CD2 3.3Å
107	Q	97.3	Very high	97.6	Very high	99 Å²	99	59.6 Å²	59.6	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-88	-15.3	-176.9	-61.3	-60.8	-24.6	0	0	114.1	L103 V105 H110 S111	L103-Q107 VanDerWaalsContact O-CB 3.28Å; L103-Q107 WeakPolarHBondContact O-CB 3.43Å; L103-Q107 VanDerWaalsContact O-CG 3.26Å; L103-Q107 WeakPolarHBondContact O-CG 3.49Å; L103-Q107 PolarHBondContact O-N 3.5Å; V105-Q107 PolarHBondContact O-N 3.3Å; Q107-H110 PolarHBondContact O-N 3.16Å; Q107-H110 VanDerWaalsContact O-N 3.14Å; Q107-S111 PolarHBondContact O-N 3.4Å; Q107-S111 VanDerWaalsContact O-N 3.13Å; Q107-S111 PolarHBondContact O-OG 3.36Å
108	A	97.8	Very high	97.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-52	178	0	0	0	0	0	113.9	Q104 H110 S111 K116 V153 G156 L157	Q104-A108 WeakPolarHBondContact O-CB 3.13Å; Q104-A108 PolarHBondContact O-N 3.3Å; A108-H110 VanDerWaalsContact C-N 3.25Å; A108-H110 PolarHBondContact O-N 3.25Å; A108-S111 PolarHBondContact O-N 2.87Å; A108-K116 VanDerWaalsContact O-CE 3.24Å; A108-K116 WeakPolarHBondContact O-CE 3.1Å; A108-V153 HydrophobicContact CB-CG1 4.35Å; A108-V153 WeakPolarHBondContact CB-O 3.47Å; A108-G156 CarbonylContact C-O 3.5Å; A108-L157 HydrophobicContact CB-CD2 3.72Å; A108-L157 HydrophobicContact CB-CG 4.04Å
109	P	98.2	Very high	98.1	Very high	63 Å²	63	48.6 Å²	48.6	41%	0.409	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27	-179.5	25.9	-34.9	0	0	0	113.8	E106 K116 G156	E106-P109 WeakPolarHBondContact O-CD 3.49Å; P109-K116 WeakPolarHBondContact O-CE 3.48Å; P109-K116 PolarHBondContact O-NZ 3.37Å; P109-G156 VanDerWaalsContact CA-O 3.24Å; P109-G156 WeakPolarHBondContact CA-O 3.48Å
110	H	98.2	Very high	98.2	Very high	145 Å²	145	46 Å²	46	67%	0.671	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-9	-175.2	-56.5	-55	0	0	0	114.3	E106 Q107 A108	E106-H110 PolarHBondContact O-CD2 2.92Å; E106-H110 VanDerWaalsContact O-CD2 3.3Å; Q107-H110 PolarHBondContact O-N 3.16Å; Q107-H110 VanDerWaalsContact O-N 3.14Å; A108-H110 VanDerWaalsContact C-N 3.25Å; A108-H110 PolarHBondContact O-N 3.25Å
111	S	98.1	Very high	98.3	Very high	13 Å²	13	43.7 Å²	43.7	9%	0.091	22%	0.224	C	C	.	.	S	Bend	trans	-67.2	148.9	178.9	-56.8	0	0	0	0	111.5	Q107 A108 K116 K119	Q107-S111 PolarHBondContact O-N 3.4Å; Q107-S111 VanDerWaalsContact O-N 3.13Å; Q107-S111 PolarHBondContact O-OG 3.36Å; A108-S111 PolarHBondContact O-N 2.87Å; S111-K116 WeakPolarHBondContact O-CE 3.36Å; S111-K119 PolarHBondContact OG-NZ 2.86Å
112	S	98.7	Very high	98.4	Very high	35 Å²	35	42.5 Å²	42.5	25%	0.245	22%	0.22	C	C	.	.			trans	-62	158.1	173.5	73.1	0	0	0	0	112	L85 E88 G114 A115 K116	L85-S112 WeakPolarHBondContact CD2-OG 3.48Å; E88-S112 VanDerWaalsContact CD-OG 3.28Å; E88-S112 VanDerWaalsContact OE1-CB 3.26Å; E88-S112 WeakPolarHBondContact OE1-CB 3.41Å; E88-S112 PolarHBondContact OE1-OG 3.23Å; E88-S112 WeakPolarHBondContact OE2-CB 3.24Å; E88-S112 PolarHBondContact OE2-N 3.06Å; E88-S112 PolarHBondContact OE2-OG 3.28Å; S112-G114 VanDerWaalsContact C-N 3.28Å; S112-G114 PolarHBondContact O-N 3.48Å; S112-A115 PolarHBondContact O-N 3.47Å; S112-A115 VanDerWaalsContact O-N 3.13Å; S112-A115 WeakPolarHBondContact OG-CB 3.46Å; S112-A115 PolarHBondContact OG-N 3Å; S112-K116 WeakPolarHBondContact O-CG 3.18Å; S112-K116 PolarHBondContact O-N 2.77Å
113	P	98.8	Very high	98.4	Very high	101 Å²	101	37 Å²	37	66%	0.656	20%	0.199	S	C	*	.	H	α-helix	trans	-55.3	-40.8	179.5	-27.1	35.2	0	0	0	113.8	K116 L117	P113-K116 PolarHBondContact O-N 3.38Å; P113-L117 PolarHBondContact O-N 3.31Å; P113-L117 VanDerWaalsContact O-N 3.09Å
114	G	98.8	Very high	98.5	Very high	11 Å²	11	34.7 Å²	34.7	11%	0.113	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-44.4	176.5	0	0	0	0	0	112.5	S112 K116 L117 V118	S112-G114 VanDerWaalsContact C-N 3.28Å; S112-G114 PolarHBondContact O-N 3.48Å; G114-K116 VanDerWaalsContact C-N 3.34Å; G114-K116 PolarHBondContact O-N 3.11Å; G114-L117 WeakPolarHBondContact O-CB 3.5Å; G114-L117 PolarHBondContact O-N 2.72Å; G114-V118 PolarHBondContact O-N 3.44Å
115	A	98.8	Very high	98.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-37.2	177	0	0	0	0	0	111.8	L85 E88 V89 S112 L117 V118 K119	L85-A115 HydrophobicContact CD2-CB 4.27Å; E88-A115 HydrophobicContact CB-CB 3.67Å; E88-A115 HydrophobicContact CG-CB 4.37Å; V89-A115 HydrophobicContact CG1-CB 4.1Å; S112-A115 PolarHBondContact O-N 3.47Å; S112-A115 VanDerWaalsContact O-N 3.13Å; S112-A115 WeakPolarHBondContact OG-CB 3.46Å; S112-A115 PolarHBondContact OG-N 3Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-L117 PolarHBondContact O-N 3.08Å; A115-V118 PolarHBondContact O-N 3.49Å; A115-K119 WeakPolarHBondContact O-CB 3.35Å; A115-K119 VanDerWaalsContact O-CG 3.28Å; A115-K119 WeakPolarHBondContact O-CG 3.47Å; A115-K119 PolarHBondContact O-N 2.97Å
116	K	98.9	Very high	98.6	Very high	31 Å²	31	34.6 Å²	34.6	14%	0.135	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-40.8	174.1	-67.9	-169.1	-175.8	-164.9	0	112.2	A108 P109 S111 S112 P113 G114 K119 L120 G156 L157 T160	A108-K116 VanDerWaalsContact O-CE 3.24Å; A108-K116 WeakPolarHBondContact O-CE 3.1Å; P109-K116 WeakPolarHBondContact O-CE 3.48Å; P109-K116 PolarHBondContact O-NZ 3.37Å; S111-K116 WeakPolarHBondContact O-CE 3.36Å; S112-K116 WeakPolarHBondContact O-CG 3.18Å; S112-K116 PolarHBondContact O-N 2.77Å; P113-K116 PolarHBondContact O-N 3.38Å; G114-K116 VanDerWaalsContact C-N 3.34Å; G114-K116 PolarHBondContact O-N 3.11Å; K116-K119 PolarHBondContact O-N 2.8Å; K116-L120 WeakPolarHBondContact O-CB 3.29Å; K116-L120 VanDerWaalsContact O-CG 3.26Å; K116-L120 WeakPolarHBondContact O-CG 3.47Å; K116-L120 PolarHBondContact O-N 2.91Å; K116-G156 PolarHBondContact NZ-O 2.82Å; K116-L157 HydrophobicContact CB-CD2 4.2Å; K116-L157 HydrophobicContact CD-CD2 4.37Å; K116-L157 HydrophobicContact CG-CD2 3.81Å; K116-T160 HydrophobicContact CB-CG2 3.67Å; K116-T160 VanDerWaalsContact CD-OG1 3.26Å; K116-T160 WeakPolarHBondContact CD-OG1 3.47Å
117	L	98.9	Very high	98.6	Very high	21 Å²	21	30.7 Å²	30.7	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-50.1	174.6	-74.1	169.6	0	0	0	111.5	L43 I49 V54 P113 G114 A115 K119 L120 A121 T160 N161	L43-L117 HydrophobicContact CD2-CB 4Å; I49-L117 HydrophobicContact CD1-CD1 3.73Å; I49-L117 HydrophobicContact CD1-CD2 3.93Å; I49-L117 HydrophobicContact CD1-CG 4.5Å; I49-L117 HydrophobicContact CG1-CD1 4.19Å; I49-L117 HydrophobicContact CG1-CD2 4.26Å; V54-L117 HydrophobicContact CG1-CB 4.19Å; V54-L117 HydrophobicContact CG1-CD1 4.19Å; P113-L117 PolarHBondContact O-N 3.31Å; P113-L117 VanDerWaalsContact O-N 3.09Å; G114-L117 WeakPolarHBondContact O-CB 3.5Å; G114-L117 PolarHBondContact O-N 2.72Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-L117 PolarHBondContact O-N 3.08Å; L117-K119 PolarHBondContact O-N 3.01Å; L117-L120 PolarHBondContact O-N 3.3Å; L117-A121 PolarHBondContact O-N 2.99Å; L117-T160 HydrophobicContact CD2-CG2 3.94Å; L117-T160 HydrophobicContact CG-CG2 3.9Å; L117-N161 HydrophobicContact CD2-CB 3.7Å
118	V	98.9	Very high	98.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-46.8	178.8	178.6	0	0	0	0	110.9	L43 V54 A57 A58 H61 V89 G114 A115 L120 A121 D122	L43-V118 HydrophobicContact CD1-CG2 4.44Å; V54-V118 HydrophobicContact CG1-CG2 4.15Å; A57-V118 HydrophobicContact CB-CG2 4.44Å; A58-V118 HydrophobicContact CB-CG2 4.23Å; H61-V118 HydrophobicContact CB-CG1 3.89Å; V89-V118 HydrophobicContact CG1-CB 4.17Å; V89-V118 HydrophobicContact CG1-CG1 4.1Å; G114-V118 PolarHBondContact O-N 3.44Å; A115-V118 PolarHBondContact O-N 3.49Å; V118-L120 PolarHBondContact O-N 2.93Å; V118-A121 PolarHBondContact O-N 3.33Å; V118-D122 WeakPolarHBondContact O-CB 3.39Å; V118-D122 PolarHBondContact O-N 2.87Å
119	K	98.9	Very high	98.7	Very high	25 Å²	25	31.3 Å²	31.3	11%	0.109	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-40.9	177.8	-71	175.9	-176.1	-177.2	0	112.5	E88 V89 S111 A115 K116 L117 K123 L157	E88-K119 WeakPolarHBondContact O-CE 3.21Å; E88-K119 PolarHBondContact O-NZ 3.24Å; V89-K119 HydrophobicContact CG1-CG 4.04Å; S111-K119 PolarHBondContact OG-NZ 2.86Å; A115-K119 WeakPolarHBondContact O-CB 3.35Å; A115-K119 VanDerWaalsContact O-CG 3.28Å; A115-K119 WeakPolarHBondContact O-CG 3.47Å; A115-K119 PolarHBondContact O-N 2.97Å; K116-K119 PolarHBondContact O-N 2.8Å; L117-K119 PolarHBondContact O-N 3.01Å; K119-K123 VanDerWaalsContact O-CG 3.27Å; K119-K123 WeakPolarHBondContact O-CG 3.29Å; K119-K123 PolarHBondContact O-N 3.18Å; K119-L157 HydrophobicContact CB-CD1 3.67Å; K119-L157 HydrophobicContact CB-CD2 4.28Å; K119-L157 HydrophobicContact CD-CD2 4.19Å
120	L	98.9	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-47.4	176.5	-76.7	169.2	0	0	0	111.4	K116 L117 V118 K123 L124 V154 L157 T160 L164 E165 L168	K116-L120 WeakPolarHBondContact O-CB 3.29Å; K116-L120 VanDerWaalsContact O-CG 3.26Å; K116-L120 WeakPolarHBondContact O-CG 3.47Å; K116-L120 PolarHBondContact O-N 2.91Å; L117-L120 PolarHBondContact O-N 3.3Å; V118-L120 PolarHBondContact O-N 2.93Å; L120-K123 PolarHBondContact O-N 3.08Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 PolarHBondContact O-N 3.37Å; L120-V154 HydrophobicContact CD2-CG1 4.1Å; L120-V154 HydrophobicContact CD2-CG2 4.48Å; L120-L157 HydrophobicContact CD1-CB 4.42Å; L120-L157 HydrophobicContact CD2-CB 3.71Å; L120-L157 HydrophobicContact CD2-CD1 4.01Å; L120-L157 HydrophobicContact CG-CB 3.92Å; L120-L157 HydrophobicContact CG-CD1 4.06Å; L120-T160 HydrophobicContact CD1-CG2 4.21Å; L120-L164 HydrophobicContact CB-CB 4.28Å; L120-L164 HydrophobicContact CB-CD1 3.83Å; L120-E165 HydrophobicContact CD1-CG 4.43Å; L120-E165 HydrophobicContact CD2-CG 4.4Å; L120-L168 HydrophobicContact CB-CD1 4.47Å; L120-L168 HydrophobicContact CD2-CD1 3.57Å
121	A	98.9	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.4	-40.1	179.9	0	0	0	0	0	112.4	V39 I42 L43 L117 V118 L124 Y125 L164	V39-A121 HydrophobicContact CG1-CB 3.79Å; I42-A121 HydrophobicContact CB-CB 4.29Å; I42-A121 HydrophobicContact CG2-CB 3.77Å; L43-A121 HydrophobicContact CD1-CB 4.44Å; L43-A121 HydrophobicContact CD2-CB 3.65Å; L43-A121 HydrophobicContact CG-CB 3.72Å; L117-A121 PolarHBondContact O-N 2.99Å; V118-A121 PolarHBondContact O-N 3.33Å; A121-L124 PolarHBondContact O-N 3.2Å; A121-Y125 WeakPolarHBondContact O-CB 3.43Å; A121-Y125 PolarHBondContact O-N 3.36Å; A121-L164 HydrophobicContact CB-CD1 4.4Å
122	D	98.9	Very high	98.6	Very high	22 Å²	22	31 Å²	31	12%	0.118	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-49.9	173.1	167.5	57.8	0	0	0	111.5	H35 V39 H61 V118 L124 Y125 N126	H35-D122 IonicContact CE1-OD1 2.65Å; H35-D122 PolarHBondContact CE1-OD1 3.31Å; H35-D122 IonicContact NE2-OD1 3.58Å; H35-D122 PolarHBondContact NE2-OD1 3.27Å; V39-D122 HydrophobicContact CG2-CB 4.47Å; H61-D122 IonicContact NE2-OD1 2.78Å; V118-D122 WeakPolarHBondContact O-CB 3.39Å; V118-D122 PolarHBondContact O-N 2.87Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-L124 PolarHBondContact O-N 3.36Å; D122-Y125 PolarHBondContact O-N 2.9Å; D122-N126 WeakPolarHBondContact O-CB 3.49Å; D122-N126 PolarHBondContact O-N 3.42Å; D122-N126 PolarHBondContact O-ND2 3.32Å; D122-N126 PolarHBondContact OD1-ND2 3.43Å
123	K	98.9	Very high	98.4	Very high	4 Å²	4	31 Å²	31	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-44	177	-67.8	-64.4	177.8	-69.4	0	111.1	K119 L120 Y125 N126 L127 W149 A150 V154 L168	K119-K123 VanDerWaalsContact O-CG 3.27Å; K119-K123 WeakPolarHBondContact O-CG 3.29Å; K119-K123 PolarHBondContact O-N 3.18Å; L120-K123 PolarHBondContact O-N 3.08Å; K123-Y125 PolarHBondContact O-N 2.98Å; K123-N126 PolarHBondContact O-N 3.05Å; K123-L127 WeakPolarHBondContact O-CB 3.47Å; K123-L127 WeakPolarHBondContact O-CG 3.42Å; K123-L127 PolarHBondContact O-N 3.1Å; K123-W149 HydrophobicContact CD-CZ3 4.36Å; K123-A150 HydrophobicContact CD-CB 4.15Å; K123-V154 HydrophobicContact CB-CG2 4.26Å; K123-V154 HydrophobicContact CG-CG2 4.4Å; K123-L168 HydrophobicContact CB-CD2 4.37Å
124	L	98.9	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-44.9	178.7	-178.8	57.6	0	0	0	111.7	I42 L120 A121 D122 R128 L164 A167 L168 L171	I42-L124 HydrophobicContact CD1-CG 4.39Å; I42-L124 HydrophobicContact CG2-CD2 3.98Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 PolarHBondContact O-N 3.37Å; A121-L124 PolarHBondContact O-N 3.2Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-L124 PolarHBondContact O-N 3.36Å; L124-R128 HydrophobicContact CD1-CG 4.34Å; L124-R128 WeakPolarHBondContact O-CB 3.37Å; L124-R128 WeakPolarHBondContact O-CG 3.5Å; L124-R128 PolarHBondContact O-N 2.92Å; L124-L164 HydrophobicContact CD2-CD2 3.78Å; L124-A167 HydrophobicContact CD1-CB 3.97Å; L124-A167 HydrophobicContact CD2-CB 3.95Å; L124-L168 HydrophobicContact CB-CD2 3.99Å; L124-L168 HydrophobicContact CB-CG 4.19Å; L124-L168 HydrophobicContact CD1-CD2 4.14Å; L124-L168 HydrophobicContact CD1-CG 4.2Å; L124-L171 HydrophobicContact CD1-CD1 3.68Å
125	Y	98.9	Very high	98.3	Very high	51 Å²	51	29.3 Å²	29.3	20%	0.2	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-50.9	177	-170.3	-85.1	0	0	0	111.2	N34 H35 V39 I42 A121 D122 K123 L127 R128 D129	N34-Y125 PolarHBondContact O-OH 3.45Å; H35-Y125 HydrophobicContact CB-CE1 3.99Å; H35-Y125 AromaticContact CE1-CD1 3.95Å; H35-Y125 AromaticContact ND1-CD1 3.1Å; H35-Y125 WeakPolarHBondContact ND1-CD1 3.22Å; H35-Y125 AromaticContact ND1-CE1 3.47Å; H35-Y125 WeakPolarHBondContact ND1-CE1 3.41Å; H35-Y125 AromaticContact ND1-CG 3.81Å; V39-Y125 HydrophobicContact CG2-CG 4.3Å; I42-Y125 HydrophobicContact CD1-CD2 3.89Å; I42-Y125 HydrophobicContact CD1-CG 4.32Å; A121-Y125 WeakPolarHBondContact O-CB 3.43Å; A121-Y125 PolarHBondContact O-N 3.36Å; D122-Y125 PolarHBondContact O-N 2.9Å; K123-Y125 PolarHBondContact O-N 2.98Å; Y125-L127 PolarHBondContact O-N 2.97Å; Y125-R128 PolarHBondContact O-N 2.92Å; Y125-D129 PolarHBondContact O-N 3.33Å
126	N	98.8	Very high	98.2	Very high	21 Å²	21	36.7 Å²	36.7	11%	0.112	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-39.2	-177.3	-73.2	-37.9	0	0	0	112.7	R24 D122 K123 D129 L130 Y146	R24-N126 PolarHBondContact NH1-OD1 2.89Å; R24-N126 PolarHBondContact NH2-OD1 3.32Å; D122-N126 WeakPolarHBondContact O-CB 3.49Å; D122-N126 PolarHBondContact O-N 3.42Å; D122-N126 PolarHBondContact O-ND2 3.32Å; D122-N126 PolarHBondContact OD1-ND2 3.43Å; K123-N126 PolarHBondContact O-N 3.05Å; N126-D129 PolarHBondContact O-N 2.9Å; N126-L130 VanDerWaalsContact O-CG 3.3Å; N126-L130 WeakPolarHBondContact O-CG 3.32Å; N126-L130 PolarHBondContact O-N 3.15Å; N126-Y146 HydrophobicContact CB-CE1 4.3Å
127	L	98.7	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-37.4	176.7	-66	-179.2	0	0	0	112.2	K123 Y125 L130 N131 Y146 F147 A150 L168 L171 F172	K123-L127 WeakPolarHBondContact O-CB 3.47Å; K123-L127 WeakPolarHBondContact O-CG 3.42Å; K123-L127 PolarHBondContact O-N 3.1Å; Y125-L127 PolarHBondContact O-N 2.97Å; L127-L130 HydrophobicContact CD2-CD1 4.33Å; L127-L130 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-N 3.07Å; L127-N131 VanDerWaalsContact O-N 3.12Å; L127-Y146 HydrophobicContact CD2-CD1 3.62Å; L127-Y146 HydrophobicContact CD2-CE1 3.72Å; L127-F147 HydrophobicContact CB-CE1 3.87Å; L127-F147 HydrophobicContact CB-CZ 3.91Å; L127-F147 HydrophobicContact CD1-CD1 4.2Å; L127-F147 HydrophobicContact CD1-CE1 4.14Å; L127-F147 HydrophobicContact CD2-CD1 3.66Å; L127-F147 HydrophobicContact CD2-CD2 3.9Å; L127-F147 HydrophobicContact CD2-CE1 3.68Å; L127-F147 HydrophobicContact CD2-CE2 3.9Å; L127-F147 HydrophobicContact CD2-CG 3.78Å; L127-F147 HydrophobicContact CD2-CZ 3.79Å; L127-F147 HydrophobicContact CG-CD1 4.36Å; L127-F147 HydrophobicContact CG-CE1 4.09Å; L127-F147 HydrophobicContact CG-CZ 4.36Å; L127-A150 HydrophobicContact CD1-CB 4.13Å; L127-A150 HydrophobicContact CD2-CB 3.98Å; L127-A150 HydrophobicContact CG-CB 4.42Å; L127-L168 HydrophobicContact CD1-CD2 3.77Å; L127-L171 HydrophobicContact CB-CD1 4.04Å; L127-F172 HydrophobicContact CD1-CD1 4.37Å; L127-F172 HydrophobicContact CD1-CE1 3.49Å; L127-F172 VanDerWaalsContact CD1-CE1 3.49Å; L127-F172 HydrophobicContact CD1-CE2 4.44Å; L127-F172 HydrophobicContact CD1-CZ 3.53Å
128	R	98.7	Very high	98	Very high	88 Å²	88	40 Å²	40	33%	0.332	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-42.9	171.3	-75.3	175.8	170.3	157.8	-1.8	111.5	E46 L124 Y125 N131 R132 L171	E46-R128 IonicContact OE1-CZ 3.68Å; E46-R128 IonicContact OE1-NH1 2.93Å; E46-R128 PolarHBondContact OE1-NH1 3.21Å; E46-R128 IonicContact OE1-NH2 3.52Å; E46-R128 IonicContact OE2-CZ 3.08Å; E46-R128 VanDerWaalsContact OE2-CZ 3.27Å; E46-R128 IonicContact OE2-NH1 2.8Å; E46-R128 PolarHBondContact OE2-NH1 2.85Å; E46-R128 IonicContact OE2-NH2 3.58Å; E46-R128 PolarHBondContact OE2-NH2 3.44Å; L124-R128 HydrophobicContact CD1-CG 4.34Å; L124-R128 WeakPolarHBondContact O-CB 3.37Å; L124-R128 WeakPolarHBondContact O-CG 3.5Å; L124-R128 PolarHBondContact O-N 2.92Å; Y125-R128 PolarHBondContact O-N 2.92Å; R128-N131 PolarHBondContact O-N 3.14Å; R128-R132 WeakPolarHBondContact O-CB 3.44Å; R128-R132 PolarHBondContact O-N 3.44Å; R128-L171 HydrophobicContact CG-CD1 3.97Å
129	D	98.2	Very high	98	Very high	24 Å²	24	43.1 Å²	43.1	13%	0.128	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-41.2	178.5	-161.1	32.1	0	0	0	111.5	R24 Y125 N126 N131 R132 C133	R24-D129 IonicContact CZ-OD2 3.54Å; R24-D129 IonicContact NE-OD2 3.86Å; R24-D129 IonicContact NH2-OD2 2.71Å; R24-D129 PolarHBondContact NH2-OD2 3.36Å; Y125-D129 PolarHBondContact O-N 3.33Å; N126-D129 PolarHBondContact O-N 2.9Å; D129-N131 VanDerWaalsContact C-N 3.33Å; D129-N131 PolarHBondContact O-N 3.13Å; D129-R132 WeakPolarHBondContact O-CB 3.36Å; D129-R132 PolarHBondContact O-N 3.47Å; D129-R132 VanDerWaalsContact O-N 3.17Å; D129-R132 IonicContact OD1-CZ 2.67Å; D129-R132 IonicContact OD1-NE 3.19Å; D129-R132 PolarHBondContact OD1-NE 3.45Å; D129-R132 IonicContact OD1-NH2 3.3Å; D129-R132 PolarHBondContact OD1-NH2 2.91Å; D129-C133 PolarHBondContact O-N 2.95Å; D129-C133 VanDerWaalsContact O-O 3.08Å
130	L	98.2	Very high	97.9	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-34.2	174.7	-73.8	177.7	0	0	0	113.6	N126 L127 P135 W138 V143 Y146 F147	N126-L130 VanDerWaalsContact O-CG 3.3Å; N126-L130 WeakPolarHBondContact O-CG 3.32Å; N126-L130 PolarHBondContact O-N 3.15Å; L127-L130 HydrophobicContact CD2-CD1 4.33Å; L127-L130 PolarHBondContact O-N 2.93Å; L130-P135 VanDerWaalsContact CD2-CD 3.47Å; L130-P135 HydrophobicContact CD2-CG 3.51Å; L130-W138 HydrophobicContact CD2-CZ3 4.37Å; L130-V143 HydrophobicContact CB-CG1 4.11Å; L130-V143 HydrophobicContact CD1-CG1 4.41Å; L130-V143 HydrophobicContact CD2-CG2 4.43Å; L130-Y146 HydrophobicContact CD1-CD1 3.24Å; L130-Y146 HydrophobicContact CD1-CD2 4.38Å; L130-Y146 HydrophobicContact CD1-CE1 3.77Å; L130-Y146 HydrophobicContact CD1-CG 3.59Å; L130-F147 HydrophobicContact CB-CE2 3.96Å; L130-F147 HydrophobicContact CD1-CD2 4.45Å; L130-F147 HydrophobicContact CD1-CE2 4.15Å
131	N	96.3	Very high	97.8	Very high	64 Å²	64	56 Å²	56	34%	0.342	29%	0.289	S	S	.	.	H	α-helix	trans	-75	-33.8	173.4	-82.9	-5.2	0	0	0	112.2	L127 R128 D129 F147 R175	L127-N131 PolarHBondContact O-N 3.07Å; L127-N131 VanDerWaalsContact O-N 3.12Å; R128-N131 PolarHBondContact O-N 3.14Å; D129-N131 VanDerWaalsContact C-N 3.33Å; D129-N131 PolarHBondContact O-N 3.13Å; N131-F147 WeakPolarHBondContact OD1-CZ 3.46Å; N131-R175 PolarHBondContact OD1-NE 3.49Å; N131-R175 VanDerWaalsContact OD1-NE 3.09Å; N131-R175 PolarHBondContact OD1-NH2 3.05Å
132	R	97	Very high	97.7	Very high	139 Å²	139	60 Å²	60	53%	0.525	30%	0.304	S	S	.	.	H	α-helix	trans	-67.8	-46.8	176.1	-179.6	-167.1	69.7	93.4	-6.2	111.3	D26 R128 D129	D26-R132 IonicContact OD2-NH2 3.09Å; D26-R132 PolarHBondContact OD2-NH2 3.37Å; D26-R132 VanDerWaalsContact OD2-NH2 3.12Å; R128-R132 WeakPolarHBondContact O-CB 3.44Å; R128-R132 PolarHBondContact O-N 3.44Å; D129-R132 WeakPolarHBondContact O-CB 3.36Å; D129-R132 PolarHBondContact O-N 3.47Å; D129-R132 VanDerWaalsContact O-N 3.17Å; D129-R132 IonicContact OD1-CZ 2.67Å; D129-R132 IonicContact OD1-NE 3.19Å; D129-R132 PolarHBondContact OD1-NE 3.45Å; D129-R132 IonicContact OD1-NH2 3.3Å; D129-R132 PolarHBondContact OD1-NH2 2.91Å
133	C	96.1	Very high	97.7	Very high	35 Å²	35	59 Å²	59	24%	0.236	30%	0.299	C	S	.	.			trans	-152.1	128.2	-175.4	-161.1	0	0	0	0	111.3	P27 D129	P27-C133 WeakPolarHBondContact CD-SG 3.43Å; D129-C133 PolarHBondContact O-N 2.95Å; D129-C133 VanDerWaalsContact O-O 3.08Å
134	T	97.1	Very high	97.7	Very high	59 Å²	59	60.9 Å²	60.9	36%	0.362	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-70.7	129.1	173.1	-65.6	0	0	0	0	109.4	W138 V143	T134-W138 HydrophobicContact CG2-CB 4Å; T134-W138 WeakPolarHBondContact CG2-O 3.36Å; T134-V143 HydrophobicContact CG2-CG2 3.86Å
135	P	97.6	Very high	97.6	Very high	17 Å²	17	65 Å²	65	11%	0.11	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-60.3	151.5	179.1	-25	34.2	0	0	0	113	K25 L130 G137 W138	K25-P135 HydrophobicContact CB-CB 3.9Å; K25-P135 CarbonylContact O-C 3.51Å; K25-P135 WeakPolarHBondContact O-CA 3.3Å; K25-P135 WeakPolarHBondContact O-CB 3.38Å; L130-P135 VanDerWaalsContact CD2-CD 3.47Å; L130-P135 HydrophobicContact CD2-CG 3.51Å; P135-G137 PolarHBondContact O-N 3.29Å; P135-W138 HydrophobicContact CB-CB 4.36Å; P135-W138 HydrophobicContact CB-CD2 4.14Å; P135-W138 HydrophobicContact CB-CG 3.88Å; P135-W138 HydrophobicContact CG-CD2 4.12Å; P135-W138 HydrophobicContact CG-CE3 4.39Å; P135-W138 HydrophobicContact CG-CG 4.27Å; P135-W138 WeakPolarHBondContact O-CB 3.24Å; P135-W138 PolarHBondContact O-N 2.84Å
136	E	96.7	Very high	97.6	Very high	155 Å²	155	64.1 Å²	64.1	72%	0.724	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	130.9	178.8	-166.5	173.8	-162.5	0	0	111.3	K25 W138	K25-E136 PolarHBondContact O-N 3.01Å; E136-W138 VanDerWaalsContact C-N 3.27Å; E136-W138 PolarHBondContact O-N 3.2Å
137	G	96.4	Very high	97.6	Very high	76 Å²	76	63.1 Å²	63.1	78%	0.784	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	9.7	-177.6	0	0	0	0	0	115.3	P135	P135-G137 PolarHBondContact O-N 3.29Å
138	W	98.1	Very high	97.6	Very high	45 Å²	45	67.2 Å²	67.2	17%	0.17	34%	0.337	C	S	.	.			trans	-96.5	139.9	172.5	-72.2	44.9	0	0	0	111.1	L130 T134 P135 E136 R142 V143 Y146	L130-W138 HydrophobicContact CD2-CZ3 4.37Å; T134-W138 HydrophobicContact CG2-CB 4Å; T134-W138 WeakPolarHBondContact CG2-O 3.36Å; P135-W138 HydrophobicContact CB-CB 4.36Å; P135-W138 HydrophobicContact CB-CD2 4.14Å; P135-W138 HydrophobicContact CB-CG 3.88Å; P135-W138 HydrophobicContact CG-CD2 4.12Å; P135-W138 HydrophobicContact CG-CE3 4.39Å; P135-W138 HydrophobicContact CG-CG 4.27Å; P135-W138 WeakPolarHBondContact O-CB 3.24Å; P135-W138 PolarHBondContact O-N 2.84Å; E136-W138 VanDerWaalsContact C-N 3.27Å; E136-W138 PolarHBondContact O-N 3.2Å; W138-R142 HydrophobicContact CD2-CG 3.9Å; W138-R142 VanDerWaalsContact CD2-NE 3.34Å; W138-R142 VanDerWaalsContact CE2-NH2 3.3Å; W138-R142 HydrophobicContact CE3-CB 4.15Å; W138-R142 HydrophobicContact CE3-CG 3.57Å; W138-R142 HydrophobicContact CG-CG 4.41Å; W138-R142 HydrophobicContact CZ3-CG 3.99Å; W138-V143 HydrophobicContact CE3-CG2 4.28Å; W138-Y146 AromaticContact CH2-CD2 3.92Å; W138-Y146 HydrophobicContact CH2-CD2 3.92Å; W138-Y146 HydrophobicContact CZ3-CD2 4.14Å; W138-Y146 HydrophobicContact CZ3-CG 4.43Å
139	S	97.7	Very high	97.6	Very high	67 Å²	67	64.2 Å²	64.2	47%	0.469	33%	0.326	S	S	.	.			trans	-85.7	160.5	166.3	62.4	0	0	0	0	110.6	H141 R142 V143	S139-H141 PolarHBondContact O-N 2.9Å; S139-R142 WeakPolarHBondContact O-CB 3.47Å; S139-R142 PolarHBondContact O-N 3Å; S139-R142 PolarHBondContact OG-N 3.47Å; S139-V143 PolarHBondContact O-N 3.16Å; S139-V143 VanDerWaalsContact O-N 3.09Å
140	E	96.3	Very high	97.6	Very high	166 Å²	166	63 Å²	63	78%	0.776	32%	0.32	S	S	*	.	H	α-helix	trans	-56.2	-36.9	172.2	-65.4	-175.8	168.7	0	0	112.2	R142 V143 Q144	E140-R142 VanDerWaalsContact C-N 3.33Å; E140-R142 PolarHBondContact O-N 2.8Å; E140-V143 WeakPolarHBondContact O-CB 3.4Å; E140-V143 PolarHBondContact O-N 3.05Å; E140-Q144 PolarHBondContact O-N 3.42Å
141	H	97.6	Very high	97.6	Very high	129 Å²	129	63 Å²	63	60%	0.597	32%	0.321	S	S	*	.	H	α-helix	trans	-58	-45.8	174.2	-174.4	-90.7	0	0	0	111.6	S139 V143 Q144 E145	S139-H141 PolarHBondContact O-N 2.9Å; H141-V143 VanDerWaalsContact C-N 3.28Å; H141-V143 PolarHBondContact O-N 3.35Å; H141-Q144 WeakPolarHBondContact O-CB 3.34Å; H141-Q144 PolarHBondContact O-N 3Å; H141-Q144 VanDerWaalsContact O-N 3.11Å; H141-E145 IonicContact CE1-OE1 3.35Å; H141-E145 PolarHBondContact CE1-OE1 3.33Å; H141-E145 IonicContact ND1-OE1 3.26Å; H141-E145 PolarHBondContact ND1-OE1 2.9Å; H141-E145 WeakPolarHBondContact O-CG 3.5Å; H141-E145 PolarHBondContact O-N 3.49Å
142	R	97.6	Very high	97.7	Very high	84 Å²	84	65.2 Å²	65.2	32%	0.317	33%	0.33	S	S	.	.	H	α-helix	trans	-67.2	-31.1	179	-171.2	178.3	166.9	174.3	-4.2	112.4	W138 S139 E140 Y146	W138-R142 HydrophobicContact CD2-CG 3.9Å; W138-R142 VanDerWaalsContact CD2-NE 3.34Å; W138-R142 VanDerWaalsContact CE2-NH2 3.3Å; W138-R142 HydrophobicContact CE3-CB 4.15Å; W138-R142 HydrophobicContact CE3-CG 3.57Å; W138-R142 HydrophobicContact CG-CG 4.41Å; W138-R142 HydrophobicContact CZ3-CG 3.99Å; S139-R142 WeakPolarHBondContact O-CB 3.47Å; S139-R142 PolarHBondContact O-N 3Å; S139-R142 PolarHBondContact OG-N 3.47Å; E140-R142 VanDerWaalsContact C-N 3.33Å; E140-R142 PolarHBondContact O-N 2.8Å; R142-Y146 PolarHBondContact O-N 3Å
143	V	98.2	Very high	97.8	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-48.3	170	176.8	0	0	0	0	109.6	L130 T134 W138 S139 E140 H141 E145 Y146 F147	L130-V143 HydrophobicContact CB-CG1 4.11Å; L130-V143 HydrophobicContact CD1-CG1 4.41Å; L130-V143 HydrophobicContact CD2-CG2 4.43Å; T134-V143 HydrophobicContact CG2-CG2 3.86Å; W138-V143 HydrophobicContact CE3-CG2 4.28Å; S139-V143 PolarHBondContact O-N 3.16Å; S139-V143 VanDerWaalsContact O-N 3.09Å; E140-V143 WeakPolarHBondContact O-CB 3.4Å; E140-V143 PolarHBondContact O-N 3.05Å; H141-V143 VanDerWaalsContact C-N 3.28Å; H141-V143 PolarHBondContact O-N 3.35Å; V143-E145 PolarHBondContact O-N 3.33Å; V143-Y146 WeakPolarHBondContact O-CA 3.24Å; V143-Y146 VanDerWaalsContact O-CB 3.29Å; V143-Y146 WeakPolarHBondContact O-CB 3.4Å; V143-Y146 PolarHBondContact O-N 3.14Å; V143-F147 HydrophobicContact CG1-CD2 4.07Å; V143-F147 HydrophobicContact CG1-CE2 3.92Å; V143-F147 WeakPolarHBondContact O-CD2 3.43Å; V143-F147 PolarHBondContact O-N 3.23Å; V143-F147 VanDerWaalsContact O-N 3.14Å
144	Q	98.1	Very high	97.9	Very high	44 Å²	44	57 Å²	57	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-43.7	178	-172.4	63.4	18.3	0	0	112.7	E140 H141 Y146 F147 E148 R175	E140-Q144 PolarHBondContact O-N 3.42Å; H141-Q144 WeakPolarHBondContact O-CB 3.34Å; H141-Q144 PolarHBondContact O-N 3Å; H141-Q144 VanDerWaalsContact O-N 3.11Å; Q144-Y146 PolarHBondContact O-N 2.85Å; Q144-F147 WeakPolarHBondContact O-CA 3.22Å; Q144-F147 WeakPolarHBondContact O-CB 3.4Å; Q144-F147 PolarHBondContact O-N 3.1Å; Q144-E148 WeakPolarHBondContact O-CG 3.21Å; Q144-E148 PolarHBondContact O-N 3.12Å; Q144-R175 PolarHBondContact NE2-O 3.42Å; Q144-R175 VanDerWaalsContact OE1-NH1 3.1Å
145	E	98.1	Very high	98	Very high	87 Å²	87	60.3 Å²	60.3	41%	0.407	30%	0.303	S	S	.	.	H	α-helix	trans	-56.8	-33.5	173.3	-73.2	175.7	175.1	0	0	112.4	H141 V143 W149	H141-E145 IonicContact CE1-OE1 3.35Å; H141-E145 PolarHBondContact CE1-OE1 3.33Å; H141-E145 IonicContact ND1-OE1 3.26Å; H141-E145 PolarHBondContact ND1-OE1 2.9Å; H141-E145 WeakPolarHBondContact O-CG 3.5Å; H141-E145 PolarHBondContact O-N 3.49Å; V143-E145 PolarHBondContact O-N 3.33Å; E145-W149 WeakPolarHBondContact O-CB 3.47Å; E145-W149 PolarHBondContact O-N 3.06Å
146	Y	98.4	Very high	98	Very high	33 Å²	33	60.4 Å²	60.4	13%	0.129	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-42.9	174.9	-170.4	-79.2	0	0	0	111.3	N126 L127 L130 W138 R142 V143 Q144 W149 A150	N126-Y146 HydrophobicContact CB-CE1 4.3Å; L127-Y146 HydrophobicContact CD2-CD1 3.62Å; L127-Y146 HydrophobicContact CD2-CE1 3.72Å; L130-Y146 HydrophobicContact CD1-CD1 3.24Å; L130-Y146 HydrophobicContact CD1-CD2 4.38Å; L130-Y146 HydrophobicContact CD1-CE1 3.77Å; L130-Y146 HydrophobicContact CD1-CG 3.59Å; W138-Y146 AromaticContact CH2-CD2 3.92Å; W138-Y146 HydrophobicContact CH2-CD2 3.92Å; W138-Y146 HydrophobicContact CZ3-CD2 4.14Å; W138-Y146 HydrophobicContact CZ3-CG 4.43Å; R142-Y146 PolarHBondContact O-N 3Å; V143-Y146 WeakPolarHBondContact O-CA 3.24Å; V143-Y146 VanDerWaalsContact O-CB 3.29Å; V143-Y146 WeakPolarHBondContact O-CB 3.4Å; V143-Y146 PolarHBondContact O-N 3.14Å; Q144-Y146 PolarHBondContact O-N 2.85Å; Y146-W149 HydrophobicContact CD2-CE3 4.12Å; Y146-W149 HydrophobicContact CD2-CZ3 4.12Å; Y146-W149 HydrophobicContact CE1-CE3 4.44Å; Y146-W149 HydrophobicContact CE1-CZ3 4.17Å; Y146-W149 HydrophobicContact CE2-CE3 4.03Å; Y146-W149 AromaticContact CE2-CZ3 3.56Å; Y146-W149 HydrophobicContact CE2-CZ3 3.56Å; Y146-W149 HydrophobicContact CG-CE3 4.37Å; Y146-W149 AromaticContact CZ-CZ3 3.6Å; Y146-W149 PolarHBondContact O-N 3.35Å; Y146-A150 HydrophobicContact CD1-CB 4.45Å; Y146-A150 HydrophobicContact CE1-CB 4.4Å; Y146-A150 VanDerWaalsContact O-CB 3.24Å; Y146-A150 WeakPolarHBondContact O-CB 3.45Å; Y146-A150 PolarHBondContact O-N 3.03Å
147	F	98.7	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-43.7	174.9	-86.2	-96.4	0	0	0	111.9	L127 L130 N131 V143 Q144 W149 A150 A151 L171 F172 R175 L177	L127-F147 HydrophobicContact CB-CE1 3.87Å; L127-F147 HydrophobicContact CB-CZ 3.91Å; L127-F147 HydrophobicContact CD1-CD1 4.2Å; L127-F147 HydrophobicContact CD1-CE1 4.14Å; L127-F147 HydrophobicContact CD2-CD1 3.66Å; L127-F147 HydrophobicContact CD2-CD2 3.9Å; L127-F147 HydrophobicContact CD2-CE1 3.68Å; L127-F147 HydrophobicContact CD2-CE2 3.9Å; L127-F147 HydrophobicContact CD2-CG 3.78Å; L127-F147 HydrophobicContact CD2-CZ 3.79Å; L127-F147 HydrophobicContact CG-CD1 4.36Å; L127-F147 HydrophobicContact CG-CE1 4.09Å; L127-F147 HydrophobicContact CG-CZ 4.36Å; L130-F147 HydrophobicContact CB-CE2 3.96Å; L130-F147 HydrophobicContact CD1-CD2 4.45Å; L130-F147 HydrophobicContact CD1-CE2 4.15Å; N131-F147 WeakPolarHBondContact OD1-CZ 3.46Å; V143-F147 HydrophobicContact CG1-CD2 4.07Å; V143-F147 HydrophobicContact CG1-CE2 3.92Å; V143-F147 WeakPolarHBondContact O-CD2 3.43Å; V143-F147 PolarHBondContact O-N 3.23Å; V143-F147 VanDerWaalsContact O-N 3.14Å; Q144-F147 WeakPolarHBondContact O-CA 3.22Å; Q144-F147 WeakPolarHBondContact O-CB 3.4Å; Q144-F147 PolarHBondContact O-N 3.1Å; F147-W149 PolarHBondContact O-N 2.81Å; F147-A150 PolarHBondContact O-N 3.27Å; F147-A151 WeakPolarHBondContact O-CB 3.47Å; F147-A151 PolarHBondContact O-N 2.68Å; F147-L171 HydrophobicContact CE1-CB 4.36Å; F147-F172 HydrophobicContact CD1-CD1 4.06Å; F147-F172 HydrophobicContact CD1-CE1 4.21Å; F147-F172 WeakPolarHBondContact O-CE1 3.47Å; F147-R175 HydrophobicContact CD1-CG 4.5Å; F147-R175 VanDerWaalsContact CD2-CD 3.48Å; F147-R175 VanDerWaalsContact CE1-CD 3.43Å; F147-R175 VanDerWaalsContact CE2-CZ 3.5Å; F147-L177 HydrophobicContact CB-CD1 3.77Å
148	E	98.6	Very high	98.2	Very high	85 Å²	85	53.4 Å²	53.4	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-45.6	177.1	-72.4	168.6	-178.6	0	0	112.2	Q144 A151 Q152 L177	Q144-E148 WeakPolarHBondContact O-CG 3.21Å; Q144-E148 PolarHBondContact O-N 3.12Å; E148-A151 PolarHBondContact O-N 3.09Å; E148-Q152 PolarHBondContact O-N 2.91Å; E148-L177 HydrophobicContact CG-CD1 4.11Å; E148-L177 HydrophobicContact CG-CD2 3.84Å
149	W	98.5	Very high	98.2	Very high	25 Å²	25	54.9 Å²	54.9	10%	0.095	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-44.2	174.9	165.7	69.4	0	0	0	112	K101 Q104 K123 E145 Y146 F147 A151 Q152 V153	K101-W149 HydrophobicContact CD-CD2 4Å; K101-W149 HydrophobicContact CD-CG 3.93Å; K101-W149 HydrophobicContact CG-CD2 4.2Å; K101-W149 HydrophobicContact CG-CG 4.41Å; K101-W149 HydrophobicContact CG-CZ2 3.97Å; K101-W149 PolarHBondContact O-NE1 3.49Å; Q104-W149 HydrophobicContact CB-CZ2 4.2Å; Q104-W149 HydrophobicContact CG-CZ2 4.35Å; Q104-W149 VanDerWaalsContact OE1-CZ2 3.23Å; K123-W149 HydrophobicContact CD-CZ3 4.36Å; E145-W149 WeakPolarHBondContact O-CB 3.47Å; E145-W149 PolarHBondContact O-N 3.06Å; Y146-W149 HydrophobicContact CD2-CE3 4.12Å; Y146-W149 HydrophobicContact CD2-CZ3 4.12Å; Y146-W149 HydrophobicContact CE1-CE3 4.44Å; Y146-W149 HydrophobicContact CE1-CZ3 4.17Å; Y146-W149 HydrophobicContact CE2-CE3 4.03Å; Y146-W149 AromaticContact CE2-CZ3 3.56Å; Y146-W149 HydrophobicContact CE2-CZ3 3.56Å; Y146-W149 HydrophobicContact CG-CE3 4.37Å; Y146-W149 AromaticContact CZ-CZ3 3.6Å; Y146-W149 PolarHBondContact O-N 3.35Å; F147-W149 PolarHBondContact O-N 2.81Å; W149-A151 VanDerWaalsContact C-N 3.28Å; W149-A151 PolarHBondContact O-N 2.97Å; W149-Q152 WeakPolarHBondContact O-CB 3.41Å; W149-Q152 PolarHBondContact O-N 3.27Å; W149-Q152 VanDerWaalsContact O-N 3.16Å; W149-V153 HydrophobicContact CD2-CG2 4.49Å; W149-V153 HydrophobicContact CZ2-CG2 4.13Å; W149-V153 PolarHBondContact O-N 2.85Å; W149-V153 VanDerWaalsContact O-N 3.15Å
150	A	98.6	Very high	98.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-37.3	178.9	0	0	0	0	0	111.6	K123 L127 Y146 F147 Q152 V153 V154 F172	K123-A150 HydrophobicContact CD-CB 4.15Å; L127-A150 HydrophobicContact CD1-CB 4.13Å; L127-A150 HydrophobicContact CD2-CB 3.98Å; L127-A150 HydrophobicContact CG-CB 4.42Å; Y146-A150 HydrophobicContact CD1-CB 4.45Å; Y146-A150 HydrophobicContact CE1-CB 4.4Å; Y146-A150 VanDerWaalsContact O-CB 3.24Å; Y146-A150 WeakPolarHBondContact O-CB 3.45Å; Y146-A150 PolarHBondContact O-N 3.03Å; F147-A150 PolarHBondContact O-N 3.27Å; A150-Q152 VanDerWaalsContact C-N 3.34Å; A150-Q152 PolarHBondContact O-N 3.17Å; A150-V153 PolarHBondContact O-N 3.41Å; A150-V154 WeakPolarHBondContact O-CB 3.45Å; A150-V154 VanDerWaalsContact O-CG2 3.24Å; A150-V154 WeakPolarHBondContact O-CG2 3.48Å; A150-V154 PolarHBondContact O-N 3.28Å; A150-F172 HydrophobicContact CB-CE1 4.07Å; A150-F172 HydrophobicContact CB-CZ 4.09Å
151	A	98.6	Very high	98.4	Very high	12 Å²	12	46.6 Å²	46.6	10%	0.099	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-41.4	175.3	0	0	0	0	0	112.1	F147 E148 W149 V153 V154 K155 F172 L177 L179	F147-A151 WeakPolarHBondContact O-CB 3.47Å; F147-A151 PolarHBondContact O-N 2.68Å; E148-A151 PolarHBondContact O-N 3.09Å; W149-A151 VanDerWaalsContact C-N 3.28Å; W149-A151 PolarHBondContact O-N 2.97Å; A151-V153 PolarHBondContact O-N 2.92Å; A151-V154 PolarHBondContact O-N 3.44Å; A151-K155 PolarHBondContact O-N 3.48Å; A151-F172 HydrophobicContact CB-CD1 3.94Å; A151-F172 HydrophobicContact CB-CE1 3.78Å; A151-F172 HydrophobicContact CB-CE2 4.38Å; A151-F172 HydrophobicContact CB-CG 4.34Å; A151-F172 HydrophobicContact CB-CZ 4.02Å; A151-L177 HydrophobicContact CB-CD1 4.47Å; A151-L179 HydrophobicContact CB-CD2 4.13Å; A151-L179 WeakPolarHBondContact O-CD2 3.4Å
152	Q	98.4	Very high	98.4	Very high	111 Å²	111	48.8 Å²	48.8	52%	0.519	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-42.8	176.2	-66.8	174.9	53.7	0	0	112	V105 E148 W149 A150	V105-Q152 HydrophobicContact CG1-CB 4.16Å; V105-Q152 HydrophobicContact CG2-CB 3.82Å; E148-Q152 PolarHBondContact O-N 2.91Å; W149-Q152 WeakPolarHBondContact O-CB 3.41Å; W149-Q152 PolarHBondContact O-N 3.27Å; W149-Q152 VanDerWaalsContact O-N 3.16Å; A150-Q152 VanDerWaalsContact C-N 3.34Å; A150-Q152 PolarHBondContact O-N 3.17Å
153	V	98.5	Very high	98.5	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-51.1	175.7	178	0	0	0	0	110.3	Q104 V105 A108 W149 A150 A151 K155 G156 L157	Q104-V153 HydrophobicContact CB-CG2 3.99Å; V105-V153 HydrophobicContact CG2-CG2 3.63Å; A108-V153 HydrophobicContact CB-CG1 4.35Å; A108-V153 WeakPolarHBondContact CB-O 3.47Å; W149-V153 HydrophobicContact CD2-CG2 4.49Å; W149-V153 HydrophobicContact CZ2-CG2 4.13Å; W149-V153 PolarHBondContact O-N 2.85Å; W149-V153 VanDerWaalsContact O-N 3.15Å; A150-V153 PolarHBondContact O-N 3.41Å; A151-V153 PolarHBondContact O-N 2.92Å; V153-K155 PolarHBondContact O-N 3.32Å; V153-G156 PolarHBondContact O-N 2.94Å; V153-L157 HydrophobicContact CG1-CD1 4.04Å; V153-L157 WeakPolarHBondContact O-CG 3.32Å; V153-L157 PolarHBondContact O-N 3.3Å
154	V	98.6	Very high	98.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-32.7	-176.4	170.7	0	0	0	0	112.1	L120 K123 A150 A151 G156 L157 Q158 L168 F172 L179	L120-V154 HydrophobicContact CD2-CG1 4.1Å; L120-V154 HydrophobicContact CD2-CG2 4.48Å; K123-V154 HydrophobicContact CB-CG2 4.26Å; K123-V154 HydrophobicContact CG-CG2 4.4Å; A150-V154 WeakPolarHBondContact O-CB 3.45Å; A150-V154 VanDerWaalsContact O-CG2 3.24Å; A150-V154 WeakPolarHBondContact O-CG2 3.48Å; A150-V154 PolarHBondContact O-N 3.28Å; A151-V154 PolarHBondContact O-N 3.44Å; V154-G156 VanDerWaalsContact C-N 3.26Å; V154-G156 PolarHBondContact O-N 3.43Å; V154-L157 WeakPolarHBondContact O-CA 3.3Å; V154-L157 WeakPolarHBondContact O-CB 3.34Å; V154-L157 PolarHBondContact O-N 2.99Å; V154-Q158 PolarHBondContact O-N 2.87Å; V154-L168 HydrophobicContact CG1-CB 4.44Å; V154-L168 HydrophobicContact CG1-CD1 3.93Å; V154-L168 HydrophobicContact CG2-CD1 3.91Å; V154-L168 HydrophobicContact CG2-CD2 4.37Å; V154-F172 HydrophobicContact CB-CE2 4.05Å; V154-F172 HydrophobicContact CB-CZ 4.35Å; V154-F172 HydrophobicContact CG1-CE2 4.1Å; V154-F172 HydrophobicContact CG2-CE2 4.07Å; V154-F172 HydrophobicContact CG2-CZ 4.06Å; V154-L179 HydrophobicContact CB-CD2 4.01Å; V154-L179 HydrophobicContact CG1-CD1 3.76Å; V154-L179 HydrophobicContact CG1-CD2 3.85Å; V154-L179 HydrophobicContact CG1-CG 4.49Å
155	K	98.4	Very high	98.5	Very high	129 Å²	129	49 Å²	49	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-56.2	-39.1	173.8	-170.9	172.7	-175.9	171.4	0	112.8	A151 V153 L157 Q158	A151-K155 PolarHBondContact O-N 3.48Å; V153-K155 PolarHBondContact O-N 3.32Å; K155-L157 VanDerWaalsContact C-N 3.26Å; K155-L157 PolarHBondContact O-N 3.39Å; K155-Q158 PolarHBondContact O-OE1 3.11Å
156	G	98.4	Very high	98.5	Very high	19 Å²	19	49.3 Å²	49.3	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-74.3	-14.3	174.8	0	0	0	0	0	114.4	A108 P109 K116 V153 V154	A108-G156 CarbonylContact C-O 3.5Å; P109-G156 VanDerWaalsContact CA-O 3.24Å; P109-G156 WeakPolarHBondContact CA-O 3.48Å; K116-G156 PolarHBondContact NZ-O 2.82Å; V153-G156 PolarHBondContact O-N 2.94Å; V154-G156 VanDerWaalsContact C-N 3.26Å; V154-G156 PolarHBondContact O-N 3.43Å
157	L	98.6	Very high	98.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-97	-5.8	-178.4	-56.1	176.8	0	0	0	113.4	A108 K116 K119 L120 V153 V154 K155 T160	A108-L157 HydrophobicContact CB-CD2 3.72Å; A108-L157 HydrophobicContact CB-CG 4.04Å; K116-L157 HydrophobicContact CB-CD2 4.2Å; K116-L157 HydrophobicContact CD-CD2 4.37Å; K116-L157 HydrophobicContact CG-CD2 3.81Å; K119-L157 HydrophobicContact CB-CD1 3.67Å; K119-L157 HydrophobicContact CB-CD2 4.28Å; K119-L157 HydrophobicContact CD-CD2 4.19Å; L120-L157 HydrophobicContact CD1-CB 4.42Å; L120-L157 HydrophobicContact CD2-CB 3.71Å; L120-L157 HydrophobicContact CD2-CD1 4.01Å; L120-L157 HydrophobicContact CG-CB 3.92Å; L120-L157 HydrophobicContact CG-CD1 4.06Å; V153-L157 HydrophobicContact CG1-CD1 4.04Å; V153-L157 WeakPolarHBondContact O-CG 3.32Å; V153-L157 PolarHBondContact O-N 3.3Å; V154-L157 WeakPolarHBondContact O-CA 3.3Å; V154-L157 WeakPolarHBondContact O-CB 3.34Å; V154-L157 PolarHBondContact O-N 2.99Å; K155-L157 VanDerWaalsContact C-N 3.26Å; K155-L157 PolarHBondContact O-N 3.39Å; L157-T160 WeakPolarHBondContact O-CB 3.48Å; L157-T160 PolarHBondContact O-OG1 2.94Å
158	Q	98.2	Very high	98.6	Very high	84 Å²	84	48.9 Å²	48.9	39%	0.393	25%	0.253	S	S	.	.			trans	-58.4	154	-178.2	-72.4	179.3	-42	0	0	113.3	V154 K155	V154-Q158 PolarHBondContact O-N 2.87Å; K155-Q158 PolarHBondContact O-OE1 3.11Å
159	G	98.3	Very high	98.6	Very high	76 Å²	76	50.8 Å²	50.8	78%	0.784	26%	0.26	S	S	*	.	S	Bend	trans	79.3	18.3	-178.1	0	0	0	0	0	113.8	E165	G159-E165 PolarHBondContact N-OE1 3.21Å; G159-E165 PolarHBondContact N-OE2 3.45Å; G159-E165 VanDerWaalsContact N-OE2 3.08Å
160	T	98.6	Very high	98.5	Very high	42 Å²	42	55 Å²	55	26%	0.258	28%	0.281	S	S	.	.	S	Bend	trans	-105	-50.6	-179.5	-53.9	0	0	0	0	111.7	K116 L117 L120 L157 E165	K116-T160 HydrophobicContact CB-CG2 3.67Å; K116-T160 VanDerWaalsContact CD-OG1 3.26Å; K116-T160 WeakPolarHBondContact CD-OG1 3.47Å; L117-T160 HydrophobicContact CD2-CG2 3.94Å; L117-T160 HydrophobicContact CG-CG2 3.9Å; L120-T160 HydrophobicContact CD1-CG2 4.21Å; L157-T160 WeakPolarHBondContact O-CB 3.48Å; L157-T160 PolarHBondContact O-OG1 2.94Å; T160-E165 PolarHBondContact N-OE1 3.35Å
161	N	98.8	Very high	98.5	Very high	17 Å²	17	55.9 Å²	55.9	9%	0.091	29%	0.285	C	S	.	.			trans	-151.7	113.4	-179.4	-173.2	-81.5	0	0	0	110.8	A47 L117 Q163 L164 E165	A47-N161 PolarHBondContact O-ND2 3.45Å; A47-N161 VanDerWaalsContact O-ND2 3.16Å; L117-N161 HydrophobicContact CD2-CB 3.7Å; N161-Q163 VanDerWaalsContact C-N 3.35Å; N161-Q163 PolarHBondContact O-N 3.04Å; N161-Q163 PolarHBondContact OD1-N 3.18Å; N161-Q163 PolarHBondContact OD1-OE1 3.06Å; N161-L164 HydrophobicContact CB-CB 4.43Å; N161-L164 HydrophobicContact CB-CD1 4.25Å; N161-L164 HydrophobicContact CB-CG 4.34Å; N161-L164 PolarHBondContact O-N 3.14Å; N161-L164 WeakPolarHBondContact OD1-CG 3.42Å; N161-L164 PolarHBondContact OD1-N 2.7Å; N161-L164 VanDerWaalsContact OD1-N 3.14Å; N161-E165 PolarHBondContact N-OE1 3.5Å; N161-E165 WeakPolarHBondContact O-CB 3.48Å; N161-E165 WeakPolarHBondContact O-CG 3.48Å; N161-E165 PolarHBondContact O-N 2.91Å
162	R	98.6	Very high	98.5	Very high	175 Å²	175	55.4 Å²	55.4	66%	0.66	28%	0.281	S	S	*	.	H	α-helix	trans	-58.1	-44.3	-174.7	179.5	-176.3	168	126.1	3.8	112.5	E165 E166	R162-E165 PolarHBondContact O-N 3.33Å; R162-E166 HydrophobicContact CG-CG 4.17Å; R162-E166 IonicContact CZ-OE1 3.12Å; R162-E166 IonicContact NE-OE1 3.32Å; R162-E166 PolarHBondContact NE-OE1 2.93Å; R162-E166 IonicContact NE-OE2 3.81Å; R162-E166 PolarHBondContact NE-OE2 2.85Å; R162-E166 IonicContact NH2-OE1 2.67Å; R162-E166 PolarHBondContact NH2-OE1 3.28Å; R162-E166 IonicContact NH2-OE2 2.96Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 WeakPolarHBondContact O-CG 3.39Å; R162-E166 PolarHBondContact O-N 2.92Å
163	Q	98.7	Very high	98.5	Very high	100 Å²	100	57.8 Å²	57.8	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-45.5	-174.2	-66.2	87.5	-39.8	0	0	111.3	E46 N161 A167	E46-Q163 VanDerWaalsContact O-CB 3.32Å; E46-Q163 WeakPolarHBondContact O-CB 3.34Å; N161-Q163 VanDerWaalsContact C-N 3.35Å; N161-Q163 PolarHBondContact O-N 3.04Å; N161-Q163 PolarHBondContact OD1-N 3.18Å; N161-Q163 PolarHBondContact OD1-OE1 3.06Å; Q163-A167 WeakPolarHBondContact O-CB 3.32Å; Q163-A167 PolarHBondContact O-N 3.38Å; Q163-A167 VanDerWaalsContact O-N 3.09Å
164	L	98.8	Very high	98.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-43.5	175.9	-61.7	-178.7	0	0	0	111.6	I42 L43 A47 L120 A121 L124 N161 E166 A167 L168	I42-L164 HydrophobicContact CG2-CD2 3.42Å; I42-L164 VanDerWaalsContact CG2-CD2 3.42Å; L43-L164 HydrophobicContact CD2-CD1 4.13Å; A47-L164 HydrophobicContact CB-CD1 3.84Å; A47-L164 HydrophobicContact CB-CD2 3.95Å; A47-L164 HydrophobicContact CB-CG 3.74Å; L120-L164 HydrophobicContact CB-CB 4.28Å; L120-L164 HydrophobicContact CB-CD1 3.83Å; A121-L164 HydrophobicContact CB-CD1 4.4Å; L124-L164 HydrophobicContact CD2-CD2 3.78Å; N161-L164 HydrophobicContact CB-CB 4.43Å; N161-L164 HydrophobicContact CB-CD1 4.25Å; N161-L164 HydrophobicContact CB-CG 4.34Å; N161-L164 PolarHBondContact O-N 3.14Å; N161-L164 WeakPolarHBondContact OD1-CG 3.42Å; N161-L164 PolarHBondContact OD1-N 2.7Å; N161-L164 VanDerWaalsContact OD1-N 3.14Å; L164-E166 PolarHBondContact O-N 2.7Å; L164-A167 PolarHBondContact O-N 3.17Å; L164-L168 WeakPolarHBondContact O-CB 3.47Å; L164-L168 WeakPolarHBondContact O-CG 3.02Å; L164-L168 PolarHBondContact O-N 3.35Å
165	E	98.7	Very high	98.3	Very high	33 Å²	33	66.7 Å²	66.7	15%	0.154	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-40.1	179.8	-72	169.6	-137.2	0	0	112	L120 G159 T160 N161 R162 K169	L120-E165 HydrophobicContact CD1-CG 4.43Å; L120-E165 HydrophobicContact CD2-CG 4.4Å; G159-E165 PolarHBondContact N-OE1 3.21Å; G159-E165 PolarHBondContact N-OE2 3.45Å; G159-E165 VanDerWaalsContact N-OE2 3.08Å; T160-E165 PolarHBondContact N-OE1 3.35Å; N161-E165 PolarHBondContact N-OE1 3.5Å; N161-E165 WeakPolarHBondContact O-CB 3.48Å; N161-E165 WeakPolarHBondContact O-CG 3.48Å; N161-E165 PolarHBondContact O-N 2.91Å; R162-E165 PolarHBondContact O-N 3.33Å; E165-K169 WeakPolarHBondContact O-CB 3.41Å; E165-K169 PolarHBondContact O-N 2.81Å
166	E	98.6	Very high	98.3	Very high	93 Å²	93	63.8 Å²	63.8	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-66.4	-42.8	175.5	-75.6	-179.3	150.9	0	0	111.9	R162 L164 K169 H170	R162-E166 HydrophobicContact CG-CG 4.17Å; R162-E166 IonicContact CZ-OE1 3.12Å; R162-E166 IonicContact NE-OE1 3.32Å; R162-E166 PolarHBondContact NE-OE1 2.93Å; R162-E166 IonicContact NE-OE2 3.81Å; R162-E166 PolarHBondContact NE-OE2 2.85Å; R162-E166 IonicContact NH2-OE1 2.67Å; R162-E166 PolarHBondContact NH2-OE1 3.28Å; R162-E166 IonicContact NH2-OE2 2.96Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 WeakPolarHBondContact O-CG 3.39Å; R162-E166 PolarHBondContact O-N 2.92Å; L164-E166 PolarHBondContact O-N 2.7Å; E166-K169 PolarHBondContact O-N 3.09Å; E166-H170 PolarHBondContact O-N 3.16Å
167	A	98.6	Very high	98.2	Very high	24 Å²	24	64.5 Å²	64.5	20%	0.198	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-45.3	175.8	0	0	0	0	0	111.7	L124 Q163 L164 H170 L171	L124-A167 HydrophobicContact CD1-CB 3.97Å; L124-A167 HydrophobicContact CD2-CB 3.95Å; Q163-A167 WeakPolarHBondContact O-CB 3.32Å; Q163-A167 PolarHBondContact O-N 3.38Å; Q163-A167 VanDerWaalsContact O-N 3.09Å; L164-A167 PolarHBondContact O-N 3.17Å; A167-H170 WeakPolarHBondContact O-CB 3.46Å; A167-H170 PolarHBondContact O-N 3.09Å; A167-L171 PolarHBondContact O-N 2.85Å
168	L	98.8	Very high	97.8	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.3	-46.4	175.3	-77.4	164.5	0	0	0	111.6	L120 K123 L124 L127 V154 L164 H170 L171 F172	L120-L168 HydrophobicContact CB-CD1 4.47Å; L120-L168 HydrophobicContact CD2-CD1 3.57Å; K123-L168 HydrophobicContact CB-CD2 4.37Å; L124-L168 HydrophobicContact CB-CD2 3.99Å; L124-L168 HydrophobicContact CB-CG 4.19Å; L124-L168 HydrophobicContact CD1-CD2 4.14Å; L124-L168 HydrophobicContact CD1-CG 4.2Å; L127-L168 HydrophobicContact CD1-CD2 3.77Å; V154-L168 HydrophobicContact CG1-CB 4.44Å; V154-L168 HydrophobicContact CG1-CD1 3.93Å; V154-L168 HydrophobicContact CG2-CD1 3.91Å; V154-L168 HydrophobicContact CG2-CD2 4.37Å; L164-L168 WeakPolarHBondContact O-CB 3.47Å; L164-L168 WeakPolarHBondContact O-CG 3.02Å; L164-L168 PolarHBondContact O-N 3.35Å; L168-H170 PolarHBondContact O-N 2.96Å; L168-L171 PolarHBondContact O-N 3.06Å; L168-L171 VanDerWaalsContact O-N 3.17Å; L168-F172 HydrophobicContact CB-CD2 4.29Å; L168-F172 HydrophobicContact CB-CE2 3.92Å; L168-F172 HydrophobicContact CD2-CE2 4.22Å; L168-F172 HydrophobicContact CD2-CZ 4.36Å; L168-F172 WeakPolarHBondContact O-CD2 3.33Å; L168-F172 WeakPolarHBondContact O-CG 3.2Å; L168-F172 PolarHBondContact O-N 3.12Å
169	K	98.4	Very high	97.1	Very high	125 Å²	125	68.9 Å²	68.9	54%	0.543	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-37.7	177.7	-173.9	173.9	-177.9	172.6	0	111.9	E165 E166 K173 L179	E165-K169 WeakPolarHBondContact O-CB 3.41Å; E165-K169 PolarHBondContact O-N 2.81Å; E166-K169 PolarHBondContact O-N 3.09Å; K169-K173 WeakPolarHBondContact O-CB 3.39Å; K169-K173 PolarHBondContact O-N 3.44Å; K169-L179 HydrophobicContact CB-CD1 4.1Å
170	H	98.4	Very high	97.1	Very high	114 Å²	114	68.5 Å²	68.5	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-51.8	175.3	-173.6	66.2	0	0	0	111.6	E166 A167 L168 F172 K173 E174	E166-H170 PolarHBondContact O-N 3.16Å; A167-H170 WeakPolarHBondContact O-CB 3.46Å; A167-H170 PolarHBondContact O-N 3.09Å; L168-H170 PolarHBondContact O-N 2.96Å; H170-F172 VanDerWaalsContact C-N 3.32Å; H170-F172 PolarHBondContact O-N 3.17Å; H170-K173 WeakPolarHBondContact O-CB 3.5Å; H170-K173 PolarHBondContact O-N 2.91Å; H170-K173 VanDerWaalsContact O-N 3.14Å; H170-E174 IonicContact CD2-OE1 2.81Å; H170-E174 IonicContact CE1-OE1 4Å; H170-E174 IonicContact NE2-OE1 3.33Å; H170-E174 PolarHBondContact NE2-OE1 3.31Å; H170-E174 PolarHBondContact O-N 3.06Å; H170-E174 VanDerWaalsContact O-N 3.13Å
171	L	98.4	Very high	97	Very high	19 Å²	19	69.9 Å²	69.9	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-38	178.8	-64.1	179.5	0	0	0	112.9	L124 L127 R128 F147 A167 L168	L124-L171 HydrophobicContact CD1-CD1 3.68Å; L127-L171 HydrophobicContact CB-CD1 4.04Å; R128-L171 HydrophobicContact CG-CD1 3.97Å; F147-L171 HydrophobicContact CE1-CB 4.36Å; A167-L171 PolarHBondContact O-N 2.85Å; L168-L171 PolarHBondContact O-N 3.06Å; L168-L171 VanDerWaalsContact O-N 3.17Å
172	F	98.6	Very high	96.9	Very high	1 Å²	1	72.8 Å²	72.8	0%	0.004	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-42	175.4	-69.9	-48.6	0	0	0	111.9	L127 F147 A150 A151 V154 L168 H170 E174 R175 G176 L177 L179	L127-F172 HydrophobicContact CD1-CD1 4.37Å; L127-F172 HydrophobicContact CD1-CE1 3.49Å; L127-F172 VanDerWaalsContact CD1-CE1 3.49Å; L127-F172 HydrophobicContact CD1-CE2 4.44Å; L127-F172 HydrophobicContact CD1-CZ 3.53Å; F147-F172 HydrophobicContact CD1-CD1 4.06Å; F147-F172 HydrophobicContact CD1-CE1 4.21Å; F147-F172 WeakPolarHBondContact O-CE1 3.47Å; A150-F172 HydrophobicContact CB-CE1 4.07Å; A150-F172 HydrophobicContact CB-CZ 4.09Å; A151-F172 HydrophobicContact CB-CD1 3.94Å; A151-F172 HydrophobicContact CB-CE1 3.78Å; A151-F172 HydrophobicContact CB-CE2 4.38Å; A151-F172 HydrophobicContact CB-CG 4.34Å; A151-F172 HydrophobicContact CB-CZ 4.02Å; V154-F172 HydrophobicContact CB-CE2 4.05Å; V154-F172 HydrophobicContact CB-CZ 4.35Å; V154-F172 HydrophobicContact CG1-CE2 4.1Å; V154-F172 HydrophobicContact CG2-CE2 4.07Å; V154-F172 HydrophobicContact CG2-CZ 4.06Å; L168-F172 HydrophobicContact CB-CD2 4.29Å; L168-F172 HydrophobicContact CB-CE2 3.92Å; L168-F172 HydrophobicContact CD2-CE2 4.22Å; L168-F172 HydrophobicContact CD2-CZ 4.36Å; L168-F172 WeakPolarHBondContact O-CD2 3.33Å; L168-F172 WeakPolarHBondContact O-CG 3.2Å; L168-F172 PolarHBondContact O-N 3.12Å; H170-F172 VanDerWaalsContact C-N 3.32Å; H170-F172 PolarHBondContact O-N 3.17Å; F172-E174 VanDerWaalsContact C-N 3.33Å; F172-E174 PolarHBondContact O-N 3.4Å; F172-R175 CarbonylContact O-C 3.47Å; F172-R175 PolarHBondContact O-N 3.41Å; F172-G176 PolarHBondContact O-N 3.36Å; F172-L177 CarbonylContact C-O 3.47Å; F172-L177 HydrophobicContact CB-CB 3.98Å; F172-L177 HydrophobicContact CD1-CD1 4.11Å; F172-L177 WeakPolarHBondContact O-CB 3.38Å; F172-L177 PolarHBondContact O-N 2.67Å; F172-L179 HydrophobicContact CD2-CD1 3.72Å; F172-L179 HydrophobicContact CD2-CD2 3.72Å; F172-L179 HydrophobicContact CD2-CG 3.65Å; F172-L179 HydrophobicContact CE2-CD1 3.99Å; F172-L179 HydrophobicContact CE2-CD2 3.7Å; F172-L179 HydrophobicContact CE2-CG 4.08Å
173	K	98	Very high	96.8	Very high	162 Å²	162	66.8 Å²	66.8	70%	0.704	35%	0.345	S	S	*	.	H	α-helix	trans	-62.8	-38.3	179.2	-172.1	-179	178.4	-174.9	0	112.4	K169 H170 R175 G176 L177	K169-K173 WeakPolarHBondContact O-CB 3.39Å; K169-K173 PolarHBondContact O-N 3.44Å; H170-K173 WeakPolarHBondContact O-CB 3.5Å; H170-K173 PolarHBondContact O-N 2.91Å; H170-K173 VanDerWaalsContact O-N 3.14Å; K173-R175 PolarHBondContact O-N 3.13Å; K173-R175 VanDerWaalsContact O-N 3.16Å; K173-G176 PolarHBondContact O-N 2.99Å; K173-L177 PolarHBondContact N-O 3.33Å
174	E	97.1	Very high	96.7	Very high	116 Å²	116	64.8 Å²	64.8	54%	0.542	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-24.9	175.3	-69.6	178.6	154.9	0	0	112.9	H170 F172	H170-E174 IonicContact CD2-OE1 2.81Å; H170-E174 IonicContact CE1-OE1 4Å; H170-E174 IonicContact NE2-OE1 3.33Å; H170-E174 PolarHBondContact NE2-OE1 3.31Å; H170-E174 PolarHBondContact O-N 3.06Å; H170-E174 VanDerWaalsContact O-N 3.13Å; F172-E174 VanDerWaalsContact C-N 3.33Å; F172-E174 PolarHBondContact O-N 3.4Å
175	R	96.2	Very high	96.5	Very high	71 Å²	71	69.1 Å²	69.1	27%	0.268	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	17.5	178.6	-73.1	176.8	173.4	-90.7	2	113.7	N131 Q144 F147 F172 K173 L177	N131-R175 PolarHBondContact OD1-NE 3.49Å; N131-R175 VanDerWaalsContact OD1-NE 3.09Å; N131-R175 PolarHBondContact OD1-NH2 3.05Å; Q144-R175 PolarHBondContact NE2-O 3.42Å; Q144-R175 VanDerWaalsContact OE1-NH1 3.1Å; F147-R175 HydrophobicContact CD1-CG 4.5Å; F147-R175 VanDerWaalsContact CD2-CD 3.48Å; F147-R175 VanDerWaalsContact CE1-CD 3.43Å; F147-R175 VanDerWaalsContact CE2-CZ 3.5Å; F172-R175 CarbonylContact O-C 3.47Å; F172-R175 PolarHBondContact O-N 3.41Å; K173-R175 PolarHBondContact O-N 3.13Å; K173-R175 VanDerWaalsContact O-N 3.16Å; R175-L177 VanDerWaalsContact C-N 3.29Å; R175-L177 PolarHBondContact O-N 3.14Å
176	G	97.3	Very high	96.4	Very high	69 Å²	69	71.6 Å²	71.6	71%	0.711	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	18.4	176.6	0	0	0	0	0	114.7	F172 K173	F172-G176 PolarHBondContact O-N 3.36Å; K173-G176 PolarHBondContact O-N 2.99Å
177	L	97.1	Very high	96.2	Very high	34 Å²	34	70 Å²	70	18%	0.178	37%	0.37	C	S	.	.			trans	-103	146.8	179.4	-58.2	174.3	0	0	0	111.1	F147 E148 A151 F172 K173 R175	F147-L177 HydrophobicContact CB-CD1 3.77Å; E148-L177 HydrophobicContact CG-CD1 4.11Å; E148-L177 HydrophobicContact CG-CD2 3.84Å; A151-L177 HydrophobicContact CB-CD1 4.47Å; F172-L177 CarbonylContact C-O 3.47Å; F172-L177 HydrophobicContact CB-CB 3.98Å; F172-L177 HydrophobicContact CD1-CD1 4.11Å; F172-L177 WeakPolarHBondContact O-CB 3.38Å; F172-L177 PolarHBondContact O-N 2.67Å; K173-L177 PolarHBondContact N-O 3.33Å; R175-L177 VanDerWaalsContact C-N 3.29Å; R175-L177 PolarHBondContact O-N 3.14Å
178	T	91.1	Very high	96	Very high	129 Å²	129	73.8 Å²	73.8	79%	0.791	38%	0.384	S	S	*	.			trans	-123.7	134.9	176	7.1	0	0	0	0	110.3
179	L	82.8	Confident	95.7	Very high	46 Å²	46	80.5 Å²	80.5	24%	0.241	42%	0.419	C	S	.	.			trans	-81.9	0	171.2	-68.5	176.1	0	0	0	111.4	A151 V154 K169 F172	A151-L179 HydrophobicContact CB-CD2 4.13Å; A151-L179 WeakPolarHBondContact O-CD2 3.4Å; V154-L179 HydrophobicContact CB-CD2 4.01Å; V154-L179 HydrophobicContact CG1-CD1 3.76Å; V154-L179 HydrophobicContact CG1-CD2 3.85Å; V154-L179 HydrophobicContact CG1-CG 4.49Å; K169-L179 HydrophobicContact CB-CD1 4.1Å; F172-L179 HydrophobicContact CD2-CD1 3.72Å; F172-L179 HydrophobicContact CD2-CD2 3.72Å; F172-L179 HydrophobicContact CD2-CG 3.65Å; F172-L179 HydrophobicContact CE2-CD1 3.99Å; F172-L179 HydrophobicContact CE2-CD2 3.7Å; F172-L179 HydrophobicContact CE2-CG 4.08Å

Retrieved 179 of 179 residues in 36.3 ms (Link to these results)

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