A0A087WPK7_MOUSE Loading...

Protein phosphatase 4, regulatory subunit 4

AlphaFold DB , UniProt , Accession A0A087WPK7, Species MOUSE (Mus musculus, Mouse), Gene Ppp4r4, Length 115 aa.

						>A0A087WPK7_MOUSE|A0A087WPK7|Ppp4r4
LTHDPVANVSCLLMDFSVGFITRMKLCYLLPKVKSALKIPADMHLLQQLEMCVRKLLCQEKDKDVLAIVKKTVLELDRMEMSMDMFQKKNYEKDLLDQEKEREELLFLEMEQLEK
					

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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	L	37	Very low	41.5	Very low	230 Å²	230	103.9 Å²	103.9	100%	1.204	60%	0.603	S	S	*	*				0	71.3	0	-71.2	162.5	0	0	0	107.8	H3	L1-H3 PolarHBondContact O-N 3.46Å
2	T	36.5	Very low	42.1	Very low	126 Å²	126	103.5 Å²	103.5	77%	0.773	60%	0.596	S	S	*	*			trans	-79.3	112.4	175	42.1	0	0	0	0	106.7	D4	T2-D4 VanDerWaalsContact C-N 3.28Å; T2-D4 PolarHBondContact O-N 3.4Å
3	H	44.2	Very low	42.5	Very low	180 Å²	180	98.9 Å²	98.9	83%	0.833	57%	0.568	S	S	*	*			trans	-74.2	86.8	-179.8	-137.3	-89.6	0	0	0	107	L1 P5	L1-H3 PolarHBondContact O-N 3.46Å; H3-P5 WeakPolarHBondContact O-CD 3.36Å
4	D	39.7	Very low	42.6	Very low	92 Å²	92	104.2 Å²	104.2	49%	0.492	59%	0.588	S	S	.	*			trans	-74.4	107.9	-175.4	-130.1	-63.6	0	0	0	109.7	T2 V6 A7	T2-D4 VanDerWaalsContact C-N 3.28Å; T2-D4 PolarHBondContact O-N 3.4Å; D4-V6 PolarHBondContact O-N 3.08Å; D4-A7 HydrophobicContact CB-CB 4.27Å; D4-A7 PolarHBondContact O-N 3Å
5	P	45.3	Very low	42.6	Very low	82 Å²	82	104.2 Å²	104.2	53%	0.532	59%	0.586	S	S	.	*	H	α-helix	trans	-66.3	-24.4	-177.7	27.2	-32.7	0	0	0	111.7	H3 N8 V9	H3-P5 WeakPolarHBondContact O-CD 3.36Å; P5-N8 PolarHBondContact O-N 2.65Å; P5-V9 WeakPolarHBondContact O-CG2 3.39Å; P5-V9 PolarHBondContact O-N 2.99Å
6	V	38.4	Very low	42.7	Very low	74 Å²	74	101.2 Å²	101.2	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-69.3	-39.9	-179.4	-173.9	0	0	0	0	111.4	D4 N8 V9 S10 L45	D4-V6 PolarHBondContact O-N 3.08Å; V6-N8 VanDerWaalsContact C-N 3.29Å; V6-N8 PolarHBondContact O-N 2.9Å; V6-V9 PolarHBondContact O-N 3.42Å; V6-S10 PolarHBondContact O-N 3.42Å; V6-L45 HydrophobicContact CG2-CD1 4.47Å
7	A	42.4	Very low	42.7	Very low	61 Å²	61	102.6 Å²	102.6	50%	0.504	58%	0.583	S	S	.	*	H	α-helix	trans	-65.1	-36	176.6	0	0	0	0	0	111.7	D4 S10 C11	D4-A7 HydrophobicContact CB-CB 4.27Å; D4-A7 PolarHBondContact O-N 3Å; A7-S10 PolarHBondContact O-N 2.94Å; A7-C11 WeakPolarHBondContact O-CB 3.37Å; A7-C11 PolarHBondContact O-N 3.37Å
8	N	43.3	Very low	42.8	Very low	100 Å²	100	102.6 Å²	102.6	54%	0.535	59%	0.585	S	S	.	*	H	α-helix	trans	-69.9	-36.7	179.4	-147.7	24.5	0	0	0	111.8	P5 V6 L12	P5-N8 PolarHBondContact O-N 2.65Å; V6-N8 VanDerWaalsContact C-N 3.29Å; V6-N8 PolarHBondContact O-N 2.9Å; N8-L12 WeakPolarHBondContact O-CD1 3.32Å; N8-L12 PolarHBondContact O-N 2.9Å
9	V	48.6	Very low	43.3	Very low	61 Å²	61	99.4 Å²	99.4	37%	0.37	58%	0.577	S	S	.	*	H	α-helix	trans	-71.1	-40.6	176	176.7	0	0	0	0	111.5	P5 V6 L12 L13 L45	P5-V9 WeakPolarHBondContact O-CG2 3.39Å; P5-V9 PolarHBondContact O-N 2.99Å; V6-V9 PolarHBondContact O-N 3.42Å; V9-L12 PolarHBondContact O-N 3.24Å; V9-L13 HydrophobicContact CG1-CD1 4.12Å; V9-L13 WeakPolarHBondContact O-CB 3.17Å; V9-L13 WeakPolarHBondContact O-CG 3.37Å; V9-L13 PolarHBondContact O-N 3.47Å; V9-L45 HydrophobicContact CB-CD2 4.29Å; V9-L45 HydrophobicContact CG1-CD2 4.22Å; V9-L45 HydrophobicContact CG2-CD2 4.21Å
10	S	40.5	Very low	43.5	Very low	63 Å²	63	98.9 Å²	98.9	44%	0.441	57%	0.567	S	S	.	*	H	α-helix	trans	-63.2	-38.9	173.4	-95.6	0	0	0	0	112.7	V6 A7 L13 M14	V6-S10 PolarHBondContact O-N 3.42Å; A7-S10 PolarHBondContact O-N 2.94Å; S10-L13 PolarHBondContact O-N 3.07Å; S10-M14 PolarHBondContact O-N 3.21Å
11	C	40.8	Very low	43.5	Very low	74 Å²	74	99.6 Å²	99.6	50%	0.5	57%	0.568	S	S	.	*	H	α-helix	trans	-62.4	-47.4	171.2	-104.1	0	0	0	0	111.6	A7 L13 M14 D15	A7-C11 WeakPolarHBondContact O-CB 3.37Å; A7-C11 PolarHBondContact O-N 3.37Å; C11-L13 PolarHBondContact O-N 3.37Å; C11-M14 PolarHBondContact O-N 2.91Å; C11-M14 VanDerWaalsContact O-N 3.11Å; C11-D15 PolarHBondContact O-N 3.28Å; C11-D15 VanDerWaalsContact O-N 3.11Å
12	L	48.2	Very low	44.2	Very low	99 Å²	99	92 Å²	92	52%	0.518	53%	0.532	S	S	.	.	H	α-helix	trans	-59.3	-30.7	175.5	-100.8	103.4	0	0	0	113.5	N8 V9	N8-L12 WeakPolarHBondContact O-CD1 3.32Å; N8-L12 PolarHBondContact O-N 2.9Å; V9-L12 PolarHBondContact O-N 3.24Å
13	L	47.9	Very low	44.9	Very low	44 Å²	44	88.3 Å²	88.3	23%	0.23	50%	0.504	C	S	.	.	H	α-helix	trans	-81.5	-23.4	177.4	-75.6	172.9	0	0	0	113.8	V9 S10 C11 F16 C52	V9-L13 HydrophobicContact CG1-CD1 4.12Å; V9-L13 WeakPolarHBondContact O-CB 3.17Å; V9-L13 WeakPolarHBondContact O-CG 3.37Å; V9-L13 PolarHBondContact O-N 3.47Å; S10-L13 PolarHBondContact O-N 3.07Å; C11-L13 PolarHBondContact O-N 3.37Å; L13-F16 HydrophobicContact CD2-CD2 3.93Å; L13-F16 HydrophobicContact CD2-CE2 3.89Å; L13-F16 WeakPolarHBondContact O-CB 3.3Å; L13-C52 HydrophobicContact CD2-CB 4.31Å; L13-C52 WeakPolarHBondContact CD2-SG 3.5Å
14	M	44.1	Very low	45	Very low	173 Å²	173	81.6 Å²	81.6	85%	0.852	47%	0.473	S	S	*	.	H	α-helix	trans	-79.9	-28	171.2	-76.7	-177.5	120	0	0	111.8	S10 C11 F16	S10-M14 PolarHBondContact O-N 3.21Å; C11-M14 PolarHBondContact O-N 2.91Å; C11-M14 VanDerWaalsContact O-N 3.11Å; M14-F16 PolarHBondContact O-N 2.97Å
15	D	41.5	Very low	45.5	Very low	104 Å²	104	83.9 Å²	83.9	56%	0.556	48%	0.479	S	S	*	.	S	Bend	trans	-78.4	5.2	173.3	-68.2	-44.5	0	0	0	113.9	C11 S17 V18	C11-D15 PolarHBondContact O-N 3.28Å; C11-D15 VanDerWaalsContact O-N 3.11Å; D15-S17 PolarHBondContact O-N 3.42Å; D15-V18 WeakPolarHBondContact O-CG2 3.43Å; D15-V18 PolarHBondContact O-N 2.94Å
16	F	44.3	Very low	45.9	Very low	56 Å²	56	82.8 Å²	82.8	25%	0.246	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	0.7	-174	-129.2	-101.7	0	0	0	115.6	L13 M14 V18 R23 L26 L56	L13-F16 HydrophobicContact CD2-CD2 3.93Å; L13-F16 HydrophobicContact CD2-CE2 3.89Å; L13-F16 WeakPolarHBondContact O-CB 3.3Å; M14-F16 PolarHBondContact O-N 2.97Å; F16-V18 PolarHBondContact O-N 3.43Å; F16-R23 HydrophobicContact CD1-CG 4.45Å; F16-R23 HydrophobicContact CE1-CG 3.65Å; F16-R23 HydrophobicContact CZ-CG 4.03Å; F16-L26 HydrophobicContact CE2-CD2 4.09Å; F16-L26 HydrophobicContact CZ-CD2 4.02Å; F16-L56 HydrophobicContact CE1-CD1 3.86Å; F16-L56 HydrophobicContact CZ-CD1 4.28Å
17	S	43.3	Very low	46.5	Very low	125 Å²	125	79.7 Å²	79.7	87%	0.874	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13.1	160.8	-90.1	0	0	0	0	113	D15 G19	D15-S17 PolarHBondContact O-N 3.42Å; S17-G19 VanDerWaalsContact C-N 3.29Å; S17-G19 PolarHBondContact O-N 3.37Å
18	V	44.1	Very low	46.9	Very low	103 Å²	103	85.4 Å²	85.4	62%	0.624	46%	0.459	S	S	*	.	S	Bend	trans	-85.4	74.8	177	-167.3	0	0	0	0	110.8	D15 F16 T22	D15-V18 WeakPolarHBondContact O-CG2 3.43Å; D15-V18 PolarHBondContact O-N 2.94Å; F16-V18 PolarHBondContact O-N 3.43Å; V18-T22 PolarHBondContact O-OG1 3.29Å
19	G	53.1	Low	47.2	Very low	41 Å²	41	85.1 Å²	85.1	42%	0.423	46%	0.457	S	S	.	.			trans	39.4	100.7	144.4	0	0	0	0	0	119.2	S17 I21	S17-G19 VanDerWaalsContact C-N 3.29Å; S17-G19 PolarHBondContact O-N 3.37Å; G19-I21 VanDerWaalsContact C-N 3.28Å; G19-I21 PolarHBondContact O-N 2.93Å
20	F	46.8	Very low	47.6	Very low	89 Å²	89	82.7 Å²	82.7	39%	0.39	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	-55.1	141.4	-165.9	-103.7	0	0	0	120.5	R23 M24 V65	F20-R23 WeakPolarHBondContact O-CB 3.45Å; F20-R23 PolarHBondContact O-N 2.99Å; F20-M24 PolarHBondContact O-N 3.06Å; F20-V65 HydrophobicContact CE2-CB 4.1Å; F20-V65 HydrophobicContact CE2-CG1 3.64Å; F20-V65 HydrophobicContact CE2-CG2 3.32Å; F20-V65 HydrophobicContact CZ-CG1 4.31Å; F20-V65 HydrophobicContact CZ-CG2 3.42Å; F20-V65 VanDerWaalsContact CZ-CG2 3.42Å
21	I	42.8	Very low	48.1	Very low	115 Å²	115	82 Å²	82	59%	0.59	44%	0.436	S	S	*	.	H	α-helix	trans	-67.4	-38.7	-178.6	-62.6	168.5	0	0	0	110.8	G19 R23 M24 K25	G19-I21 VanDerWaalsContact C-N 3.28Å; G19-I21 PolarHBondContact O-N 2.93Å; I21-R23 PolarHBondContact O-N 3.22Å; I21-M24 PolarHBondContact O-N 3.33Å; I21-K25 PolarHBondContact O-N 3.28Å; I21-K25 VanDerWaalsContact O-N 3.08Å
22	T	51.8	Low	48.6	Very low	70 Å²	70	85.9 Å²	85.9	43%	0.429	44%	0.444	S	S	.	.	H	α-helix	trans	-63.9	-34	175.7	-28	0	0	0	0	110.7	V18 L26	V18-T22 PolarHBondContact O-OG1 3.29Å; T22-L26 VanDerWaalsContact O-CB 3.29Å; T22-L26 WeakPolarHBondContact O-CB 3.34Å; T22-L26 PolarHBondContact O-N 3.06Å
23	R	51.8	Low	48.9	Very low	49 Å²	49	84 Å²	84	19%	0.185	44%	0.437	C	S	.	.	H	α-helix	trans	-69.5	-43.2	179	-60.5	-167.2	-82.3	-110.6	20.3	112.7	F16 F20 I21 L26 C27 L56 E60	F16-R23 HydrophobicContact CD1-CG 4.45Å; F16-R23 HydrophobicContact CE1-CG 3.65Å; F16-R23 HydrophobicContact CZ-CG 4.03Å; F20-R23 WeakPolarHBondContact O-CB 3.45Å; F20-R23 PolarHBondContact O-N 2.99Å; I21-R23 PolarHBondContact O-N 3.22Å; R23-L26 PolarHBondContact O-N 2.76Å; R23-C27 PolarHBondContact O-N 2.76Å; R23-C27 PolarHBondContact O-SG 3.46Å; R23-L56 HydrophobicContact CB-CD1 4.13Å; R23-L56 VanDerWaalsContact CD-CD1 3.45Å; R23-L56 HydrophobicContact CG-CD1 3.93Å; R23-E60 IonicContact CZ-OE1 3.53Å; R23-E60 IonicContact NE-OE1 3.37Å; R23-E60 PolarHBondContact NE-OE1 3.11Å; R23-E60 IonicContact NH2-OE1 3.93Å; R23-E60 PolarHBondContact NH2-OE1 3.31Å; R23-E60 IonicContact NH2-OE2 2.91Å
24	M	47.1	Very low	49.2	Very low	38 Å²	38	83.3 Å²	83.3	19%	0.187	43%	0.432	C	S	.	.	H	α-helix	trans	-67.7	-42.6	175.8	-75.7	-72.7	106.7	0	0	112.1	F20 I21 L26 C27 Y28 V65 I68 V69	F20-M24 PolarHBondContact O-N 3.06Å; I21-M24 PolarHBondContact O-N 3.33Å; M24-L26 VanDerWaalsContact C-N 3.28Å; M24-L26 PolarHBondContact O-N 3.42Å; M24-C27 PolarHBondContact O-N 3.11Å; M24-Y28 PolarHBondContact O-N 3.01Å; M24-Y28 VanDerWaalsContact O-N 3.1Å; M24-V65 HydrophobicContact CE-CG1 4.37Å; M24-I68 HydrophobicContact CE-CB 4.42Å; M24-I68 HydrophobicContact CE-CG2 3.89Å; M24-I68 HydrophobicContact SD-CG2 3.77Å; M24-V69 HydrophobicContact CE-CG2 3.81Å
25	K	48.6	Very low	49.6	Very low	141 Å²	141	79.5 Å²	79.5	61%	0.613	42%	0.422	S	S	*	.	H	α-helix	trans	-62	-37.9	173.5	-80.3	-176.8	172	178.1	0	111.9	I21 Y28 L29	I21-K25 PolarHBondContact O-N 3.28Å; I21-K25 VanDerWaalsContact O-N 3.08Å; K25-Y28 PolarHBondContact O-N 3.43Å; K25-L29 WeakPolarHBondContact O-CB 3.46Å; K25-L29 WeakPolarHBondContact O-CD1 3.46Å; K25-L29 PolarHBondContact O-N 2.83Å
26	L	54.2	Low	50	Low	59 Å²	59	78.3 Å²	78.3	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-43.8	175.6	-168.3	66.2	0	0	0	111.5	F16 T22 R23 M24 Y28 L29 L30 L49	F16-L26 HydrophobicContact CE2-CD2 4.09Å; F16-L26 HydrophobicContact CZ-CD2 4.02Å; T22-L26 VanDerWaalsContact O-CB 3.29Å; T22-L26 WeakPolarHBondContact O-CB 3.34Å; T22-L26 PolarHBondContact O-N 3.06Å; R23-L26 PolarHBondContact O-N 2.76Å; M24-L26 VanDerWaalsContact C-N 3.28Å; M24-L26 PolarHBondContact O-N 3.42Å; L26-Y28 VanDerWaalsContact C-N 3.25Å; L26-Y28 PolarHBondContact O-N 3.25Å; L26-L29 PolarHBondContact O-N 3.3Å; L26-L30 HydrophobicContact CG-CD1 4.34Å; L26-L30 WeakPolarHBondContact O-CA 3.41Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.37Å; L26-L30 WeakPolarHBondContact O-CG 3.29Å; L26-L30 PolarHBondContact O-N 3.34Å; L26-L49 HydrophobicContact CD1-CD1 4.49Å; L26-L49 HydrophobicContact CD2-CD1 3.96Å; L26-L49 HydrophobicContact CG-CD1 4.29Å
27	C	50.9	Low	50.4	Low	8 Å²	8	78.1 Å²	78.1	5%	0.054	43%	0.428	C	S	.	.	H	α-helix	trans	-58.1	-34.3	174.4	-70.8	0	0	0	0	113.2	R23 M24 P31 T72	R23-C27 PolarHBondContact O-N 2.76Å; R23-C27 PolarHBondContact O-SG 3.46Å; M24-C27 PolarHBondContact O-N 3.11Å; C27-P31 VanDerWaalsContact O-CD 3.29Å; C27-P31 WeakPolarHBondContact O-CD 3.4Å; C27-T72 HydrophobicContact CB-CG2 3.87Å
28	Y	51.1	Low	50.7	Low	181 Å²	181	80.9 Å²	80.9	71%	0.71	42%	0.424	S	S	*	.	H	α-helix	trans	-84.4	-31.3	176.3	-93.8	-86.5	0	0	0	114.3	M24 K25 L26 L30	M24-Y28 PolarHBondContact O-N 3.01Å; M24-Y28 VanDerWaalsContact O-N 3.1Å; K25-Y28 PolarHBondContact O-N 3.43Å; L26-Y28 VanDerWaalsContact C-N 3.25Å; L26-Y28 PolarHBondContact O-N 3.25Å; Y28-L30 VanDerWaalsContact C-N 3.34Å
29	L	50.4	Low	50.9	Low	94 Å²	94	80.2 Å²	80.2	49%	0.492	42%	0.416	S	S	.	.	H	α-helix	trans	-76.6	-26.4	173.3	-100.8	94.2	0	0	0	111.7	K25 L26 K32 V33	K25-L29 WeakPolarHBondContact O-CB 3.46Å; K25-L29 WeakPolarHBondContact O-CD1 3.46Å; K25-L29 PolarHBondContact O-N 2.83Å; L26-L29 PolarHBondContact O-N 3.3Å; L29-K32 CarbonylContact O-C 3.56Å; L29-K32 WeakPolarHBondContact O-CA 3.14Å; L29-K32 WeakPolarHBondContact O-CB 3.23Å; L29-K32 PolarHBondContact O-N 3.1Å; L29-V33 HydrophobicContact CB-CG2 4.35Å; L29-V33 HydrophobicContact CD2-CG2 4.33Å; L29-V33 WeakPolarHBondContact O-CB 3.48Å; L29-V33 WeakPolarHBondContact O-CG2 3.48Å; L29-V33 PolarHBondContact O-N 2.97Å
30	L	55.7	Low	50.6	Low	11 Å²	11	83.4 Å²	83.4	6%	0.058	43%	0.43	C	S	.	.	H	α-helix	trans	-49.8	-52	-177.5	-114.1	151.2	0	0	0	113.5	L26 Y28 K32 V33 K34 L49 V53 L76	L26-L30 HydrophobicContact CG-CD1 4.34Å; L26-L30 WeakPolarHBondContact O-CA 3.41Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.37Å; L26-L30 WeakPolarHBondContact O-CG 3.29Å; L26-L30 PolarHBondContact O-N 3.34Å; Y28-L30 VanDerWaalsContact C-N 3.34Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.82Å; L30-V33 PolarHBondContact O-N 3.21Å; L30-K34 WeakPolarHBondContact O-CB 3.41Å; L30-K34 PolarHBondContact O-N 2.85Å; L30-L49 HydrophobicContact CD1-CD1 4.28Å; L30-L49 HydrophobicContact CD1-CD2 4.38Å; L30-L49 HydrophobicContact CD1-CG 4.27Å; L30-L49 HydrophobicContact CD2-CD1 4.43Å; L30-L49 HydrophobicContact CD2-CD2 3.14Å; L30-L49 HydrophobicContact CD2-CG 3.63Å; L30-L49 HydrophobicContact CG-CD1 4.36Å; L30-L49 HydrophobicContact CG-CD2 3.66Å; L30-L49 HydrophobicContact CG-CG 4.09Å; L30-V53 HydrophobicContact CD1-CG2 4.03Å; L30-L76 HydrophobicContact CB-CD2 4.49Å; L30-L76 HydrophobicContact CD1-CD1 4.31Å; L30-L76 HydrophobicContact CD2-CD1 3.99Å; L30-L76 HydrophobicContact CD2-CD2 4Å
31	P	52.1	Low	50.8	Low	48 Å²	48	83.3 Å²	83.3	31%	0.312	45%	0.445	S	S	.	.	H	α-helix	trans	-65.4	-35.8	177	-20	32.7	0	0	0	112.3	C27 S35	C27-P31 VanDerWaalsContact O-CD 3.29Å; C27-P31 WeakPolarHBondContact O-CD 3.4Å; P31-S35 WeakPolarHBondContact O-CB 3.44Å; P31-S35 PolarHBondContact O-N 3.32Å; P31-S35 PolarHBondContact O-OG 3.03Å
32	K	50.6	Low	51.3	Low	155 Å²	155	79.6 Å²	79.6	67%	0.674	43%	0.426	S	S	*	.	H	α-helix	trans	-69.9	-42.7	178.8	-71.3	-175.8	175.5	-178.2	0	112	L29 L30 S35 A36	L29-K32 CarbonylContact O-C 3.56Å; L29-K32 WeakPolarHBondContact O-CA 3.14Å; L29-K32 WeakPolarHBondContact O-CB 3.23Å; L29-K32 PolarHBondContact O-N 3.1Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.82Å; K32-S35 WeakPolarHBondContact CA-OG 3.29Å; K32-S35 PolarHBondContact O-N 3.22Å; K32-S35 PolarHBondContact O-OG 3.05Å; K32-A36 VanDerWaalsContact O-CB 3.3Å; K32-A36 WeakPolarHBondContact O-CB 3.25Å; K32-A36 PolarHBondContact O-N 2.78Å
33	V	53.8	Low	51.3	Low	60 Å²	60	79.5 Å²	79.5	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-67.7	-44.7	175.5	174.1	0	0	0	0	109.5	L29 L30 S35 A36 L37	L29-V33 HydrophobicContact CB-CG2 4.35Å; L29-V33 HydrophobicContact CD2-CG2 4.33Å; L29-V33 WeakPolarHBondContact O-CB 3.48Å; L29-V33 WeakPolarHBondContact O-CG2 3.48Å; L29-V33 PolarHBondContact O-N 2.97Å; L30-V33 PolarHBondContact O-N 3.21Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.28Å; V33-A36 CarbonylContact O-C 3.59Å; V33-A36 PolarHBondContact O-N 2.94Å; V33-L37 HydrophobicContact CG1-CD1 3.63Å; V33-L37 HydrophobicContact CG1-CG 3.98Å; V33-L37 WeakPolarHBondContact O-CG 3.45Å; V33-L37 PolarHBondContact O-N 3.38Å
34	K	55.7	Low	51.5	Low	30 Å²	30	83.8 Å²	83.8	13%	0.13	44%	0.444	C	S	.	.	H	α-helix	trans	-61.4	-32.7	174.6	-173.7	157.8	-176.6	161	0	113	L30 L46 L76 E80 M83	L30-K34 WeakPolarHBondContact O-CB 3.41Å; L30-K34 PolarHBondContact O-N 2.85Å; K34-L46 HydrophobicContact CB-CD1 4.43Å; K34-L46 HydrophobicContact CD-CD1 3.88Å; K34-L46 HydrophobicContact CD-CD2 4.4Å; K34-L46 HydrophobicContact CD-CG 4.39Å; K34-L46 HydrophobicContact CG-CD1 3.87Å; K34-L76 HydrophobicContact CD-CD2 4.42Å; K34-E80 IonicContact NZ-OE2 3.83Å; K34-M83 WeakPolarHBondContact CE-SD 3.38Å
35	S	52.4	Low	51.8	Low	93 Å²	93	83.6 Å²	83.6	65%	0.65	44%	0.444	S	S	*	.	H	α-helix	trans	-77.4	-19.6	172.1	69.7	0	0	0	0	114.6	P31 K32 V33	P31-S35 WeakPolarHBondContact O-CB 3.44Å; P31-S35 PolarHBondContact O-N 3.32Å; P31-S35 PolarHBondContact O-OG 3.03Å; K32-S35 WeakPolarHBondContact CA-OG 3.29Å; K32-S35 PolarHBondContact O-N 3.22Å; K32-S35 PolarHBondContact O-OG 3.05Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 3.28Å
36	A	49.6	Very low	52.3	Low	78 Å²	78	77.8 Å²	77.8	65%	0.645	42%	0.419	S	S	*	.	H	α-helix	trans	-97.5	-22.1	-178.7	0	0	0	0	0	113.2	K32 V33	K32-A36 VanDerWaalsContact O-CB 3.3Å; K32-A36 WeakPolarHBondContact O-CB 3.25Å; K32-A36 PolarHBondContact O-N 2.78Å; V33-A36 CarbonylContact O-C 3.59Å; V33-A36 PolarHBondContact O-N 2.94Å
37	L	52.4	Low	52.6	Low	52 Å²	52	79.7 Å²	79.7	27%	0.272	43%	0.426	S	S	.	.	S	Bend	trans	-74.7	128.5	175.3	-69.1	165.3	0	0	0	110	V33 D42	V33-L37 HydrophobicContact CG1-CD1 3.63Å; V33-L37 HydrophobicContact CG1-CG 3.98Å; V33-L37 WeakPolarHBondContact O-CG 3.45Å; V33-L37 PolarHBondContact O-N 3.38Å; L37-D42 HydrophobicContact CB-CB 3.9Å; L37-D42 HydrophobicContact CD1-CB 4.18Å; L37-D42 HydrophobicContact CD2-CB 3.7Å; L37-D42 VanDerWaalsContact CD2-OD2 3.28Å; L37-D42 WeakPolarHBondContact CD2-OD2 3.34Å; L37-D42 HydrophobicContact CG-CB 4.11Å
38	K	49.2	Very low	52.8	Low	183 Å²	183	84.2 Å²	84.2	80%	0.796	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-95.2	119.2	178.6	-79.1	-177.1	176.5	-179.8	0	109.4
39	I	48.6	Very low	53.2	Low	89 Å²	89	77.4 Å²	77.4	46%	0.456	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	135.2	172.1	-61.7	-70.2	0	0	0	109.1	M83	I39-M83 HydrophobicContact CD1-CE 3.13Å; I39-M83 HydrophobicContact CG1-CE 3.77Å
40	P	46.5	Very low	53.7	Low	109 Å²	109	75 Å²	75	71%	0.708	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	cis	-111.6	-2.8	22.8	36.6	-26.5	0	0	0	117.3	D42	P40-D42 VanDerWaalsContact C-N 3.28Å; P40-D42 PolarHBondContact O-N 3.38Å
41	A	51	Low	53.7	Low	87 Å²	87	79.1 Å²	79.1	72%	0.719	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.2	-171.3	0	0	0	0	0	114.2
42	D	53.1	Low	54.2	Low	36 Å²	36	78.1 Å²	78.1	19%	0.193	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	9.9	-170.1	-63.4	-55.3	0	0	0	114.3	L37 P40 H44 L45 L46	L37-D42 HydrophobicContact CB-CB 3.9Å; L37-D42 HydrophobicContact CD1-CB 4.18Å; L37-D42 HydrophobicContact CD2-CB 3.7Å; L37-D42 VanDerWaalsContact CD2-OD2 3.28Å; L37-D42 WeakPolarHBondContact CD2-OD2 3.34Å; L37-D42 HydrophobicContact CG-CB 4.11Å; P40-D42 VanDerWaalsContact C-N 3.28Å; P40-D42 PolarHBondContact O-N 3.38Å; D42-H44 VanDerWaalsContact C-N 3.32Å; D42-H44 PolarHBondContact O-N 3.35Å; D42-L45 HydrophobicContact CB-CD1 4.42Å; D42-L45 WeakPolarHBondContact O-CB 3.44Å; D42-L45 PolarHBondContact O-N 3.01Å; D42-L45 WeakPolarHBondContact OD1-CD1 3.15Å; D42-L46 PolarHBondContact O-N 3.27Å; D42-L46 VanDerWaalsContact O-N 3.13Å
43	M	52.6	Low	54.8	Low	69 Å²	69	71.3 Å²	71.3	34%	0.34	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-39	-177.9	-167.5	177.9	103.8	0	0	112.6	L46 Q47 Q87	M43-L46 VanDerWaalsContact O-CB 3.25Å; M43-L46 WeakPolarHBondContact O-CB 3.46Å; M43-L46 PolarHBondContact O-N 3.04Å; M43-Q47 PolarHBondContact O-N 3.5Å; M43-Q47 VanDerWaalsContact O-N 3.14Å; M43-Q87 PolarHBondContact SD-OE1 2.87Å; M43-Q87 VanDerWaalsContact SD-OE1 3.37Å
44	H	55.2	Low	55.1	Low	138 Å²	138	74.8 Å²	74.8	64%	0.639	40%	0.401	S	S	*	.	H	α-helix	trans	-66.6	-36.3	177.2	-106.3	-77	0	0	0	112.9	D42 L46 Q47 Q48	D42-H44 VanDerWaalsContact C-N 3.32Å; D42-H44 PolarHBondContact O-N 3.35Å; H44-L46 VanDerWaalsContact C-N 3.29Å; H44-Q47 PolarHBondContact O-N 3.15Å; H44-Q48 WeakPolarHBondContact O-CB 3.19Å; H44-Q48 WeakPolarHBondContact O-CG 3.26Å; H44-Q48 PolarHBondContact O-N 3.18Å
45	L	55.1	Low	55.3	Low	35 Å²	35	80 Å²	80	18%	0.183	42%	0.423	C	S	.	.	H	α-helix	trans	-65.5	-37.1	175.2	-79.9	156.6	0	0	0	110.9	V6 V9 D42 L49	V6-L45 HydrophobicContact CG2-CD1 4.47Å; V9-L45 HydrophobicContact CB-CD2 4.29Å; V9-L45 HydrophobicContact CG1-CD2 4.22Å; V9-L45 HydrophobicContact CG2-CD2 4.21Å; D42-L45 HydrophobicContact CB-CD1 4.42Å; D42-L45 WeakPolarHBondContact O-CB 3.44Å; D42-L45 PolarHBondContact O-N 3.01Å; D42-L45 WeakPolarHBondContact OD1-CD1 3.15Å; L45-L49 VanDerWaalsContact O-CB 3.28Å; L45-L49 WeakPolarHBondContact O-CB 3.4Å; L45-L49 PolarHBondContact O-N 2.98Å; L45-L49 VanDerWaalsContact O-N 3.09Å
46	L	58.8	Low	55.7	Low	19 Å²	19	76.4 Å²	76.4	10%	0.099	40%	0.397	C	S	.	.	H	α-helix	trans	-62	-48.7	175.4	-142.4	91.9	0	0	0	112	K34 D42 M43 H44 L49 E50 M83	K34-L46 HydrophobicContact CB-CD1 4.43Å; K34-L46 HydrophobicContact CD-CD1 3.88Å; K34-L46 HydrophobicContact CD-CD2 4.4Å; K34-L46 HydrophobicContact CD-CG 4.39Å; K34-L46 HydrophobicContact CG-CD1 3.87Å; D42-L46 PolarHBondContact O-N 3.27Å; D42-L46 VanDerWaalsContact O-N 3.13Å; M43-L46 VanDerWaalsContact O-CB 3.25Å; M43-L46 WeakPolarHBondContact O-CB 3.46Å; M43-L46 PolarHBondContact O-N 3.04Å; H44-L46 VanDerWaalsContact C-N 3.29Å; L46-L49 WeakPolarHBondContact O-CB 3.28Å; L46-L49 PolarHBondContact O-N 3.24Å; L46-E50 PolarHBondContact O-N 3.49Å; L46-M83 HydrophobicContact CD2-CE 3.76Å; L46-M83 HydrophobicContact CD2-SD 3.73Å
47	Q	59	Low	56.2	Low	99 Å²	99	74.8 Å²	74.8	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-40.9	179.3	-75.7	-175.6	-22.5	0	0	112.6	M43 H44 L49 E50 M51	M43-Q47 PolarHBondContact O-N 3.5Å; M43-Q47 VanDerWaalsContact O-N 3.14Å; H44-Q47 PolarHBondContact O-N 3.15Å; Q47-L49 VanDerWaalsContact C-N 3.25Å; Q47-L49 PolarHBondContact O-N 3.32Å; Q47-E50 PolarHBondContact O-N 2.87Å; Q47-M51 WeakPolarHBondContact O-CG 3.36Å; Q47-M51 PolarHBondContact O-N 3.33Å
48	Q	56.4	Low	56.6	Low	102 Å²	102	78 Å²	78	48%	0.477	40%	0.402	S	S	.	.	H	α-helix	trans	-57	-43.4	173.8	-76.5	-100	-7.9	0	0	111.1	H44 M51 C52	H44-Q48 WeakPolarHBondContact O-CB 3.19Å; H44-Q48 WeakPolarHBondContact O-CG 3.26Å; H44-Q48 PolarHBondContact O-N 3.18Å; Q48-M51 WeakPolarHBondContact O-CB 3.44Å; Q48-M51 PolarHBondContact O-N 2.85Å; Q48-C52 PolarHBondContact O-N 3Å; Q48-C52 PolarHBondContact O-SG 3.28Å
49	L	59.9	Low	57.1	Low	38 Å²	38	77 Å²	77	20%	0.199	40%	0.401	C	S	.	.	H	α-helix	trans	-69.1	-40.6	-178.5	-171.8	59.1	0	0	0	112.3	L26 L30 L45 L46 Q47 M51 C52 V53	L26-L49 HydrophobicContact CD1-CD1 4.49Å; L26-L49 HydrophobicContact CD2-CD1 3.96Å; L26-L49 HydrophobicContact CG-CD1 4.29Å; L30-L49 HydrophobicContact CD1-CD1 4.28Å; L30-L49 HydrophobicContact CD1-CD2 4.38Å; L30-L49 HydrophobicContact CD1-CG 4.27Å; L30-L49 HydrophobicContact CD2-CD1 4.43Å; L30-L49 HydrophobicContact CD2-CD2 3.14Å; L30-L49 HydrophobicContact CD2-CG 3.63Å; L30-L49 HydrophobicContact CG-CD1 4.36Å; L30-L49 HydrophobicContact CG-CD2 3.66Å; L30-L49 HydrophobicContact CG-CG 4.09Å; L45-L49 VanDerWaalsContact O-CB 3.28Å; L45-L49 WeakPolarHBondContact O-CB 3.4Å; L45-L49 PolarHBondContact O-N 2.98Å; L45-L49 VanDerWaalsContact O-N 3.09Å; L46-L49 WeakPolarHBondContact O-CB 3.28Å; L46-L49 PolarHBondContact O-N 3.24Å; Q47-L49 VanDerWaalsContact C-N 3.25Å; Q47-L49 PolarHBondContact O-N 3.32Å; L49-M51 VanDerWaalsContact C-N 3.33Å; L49-M51 PolarHBondContact O-N 2.91Å; L49-C52 WeakPolarHBondContact O-CB 3.21Å; L49-C52 PolarHBondContact O-N 2.84Å; L49-V53 WeakPolarHBondContact O-CG2 3.19Å; L49-V53 PolarHBondContact O-N 3.25Å
50	E	60.1	Low	57.8	Low	43 Å²	43	74.5 Å²	74.5	20%	0.201	39%	0.387	C	S	.	.	H	α-helix	trans	-58.3	-45.7	171	-74	-144.6	108.3	0	0	112.3	L46 Q47 C52 V53 R54 E80	L46-E50 PolarHBondContact O-N 3.49Å; Q47-E50 PolarHBondContact O-N 2.87Å; E50-C52 VanDerWaalsContact C-N 3.27Å; E50-C52 PolarHBondContact O-N 3.2Å; E50-V53 PolarHBondContact O-N 3.32Å; E50-R54 WeakPolarHBondContact O-CG 3.34Å; E50-R54 PolarHBondContact O-N 2.81Å; E50-R54 IonicContact OE1-NH2 3.73Å; E50-R54 IonicContact OE2-CZ 2.86Å; E50-R54 IonicContact OE2-NH2 3.99Å; E50-R54 PolarHBondContact OE2-NH2 2.91Å; E50-E80 VanDerWaalsContact CD-OE2 3.25Å
51	M	56.5	Low	58.6	Low	98 Å²	98	79.2 Å²	79.2	48%	0.483	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-38.9	178.1	-77	-67.4	-67.9	0	0	111.5	Q47 Q48 L49 K55	Q47-M51 WeakPolarHBondContact O-CG 3.36Å; Q47-M51 PolarHBondContact O-N 3.33Å; Q48-M51 WeakPolarHBondContact O-CB 3.44Å; Q48-M51 PolarHBondContact O-N 2.85Å; L49-M51 VanDerWaalsContact C-N 3.33Å; L49-M51 PolarHBondContact O-N 2.91Å; M51-K55 WeakPolarHBondContact O-CB 3.21Å; M51-K55 WeakPolarHBondContact O-CG 3.23Å; M51-K55 PolarHBondContact O-N 2.85Å
52	C	61	Low	59.6	Low	28 Å²	28	78.9 Å²	78.9	19%	0.189	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-45.6	173.9	-72.8	0	0	0	0	111.8	L13 Q48 L49 E50 K55 L56	L13-C52 HydrophobicContact CD2-CB 4.31Å; L13-C52 WeakPolarHBondContact CD2-SG 3.5Å; Q48-C52 PolarHBondContact O-N 3Å; Q48-C52 PolarHBondContact O-SG 3.28Å; L49-C52 WeakPolarHBondContact O-CB 3.21Å; L49-C52 PolarHBondContact O-N 2.84Å; E50-C52 VanDerWaalsContact C-N 3.27Å; E50-C52 PolarHBondContact O-N 3.2Å; C52-K55 PolarHBondContact O-N 3.09Å; C52-L56 VanDerWaalsContact O-CB 3.25Å; C52-L56 WeakPolarHBondContact O-CB 3.41Å; C52-L56 PolarHBondContact O-N 3.26Å
53	V	64.1	Low	60.5	Low	11 Å²	11	85.7 Å²	85.7	7%	0.067	41%	0.41	C	S	.	.	H	α-helix	trans	-63.7	-42.8	178.3	175.6	0	0	0	0	111.3	L30 L49 E50 K55 L56 L57 V69 V73	L30-V53 HydrophobicContact CD1-CG2 4.03Å; L49-V53 WeakPolarHBondContact O-CG2 3.19Å; L49-V53 PolarHBondContact O-N 3.25Å; E50-V53 PolarHBondContact O-N 3.32Å; V53-K55 PolarHBondContact O-N 2.94Å; V53-L56 WeakPolarHBondContact O-CB 3.46Å; V53-L56 PolarHBondContact O-N 3.38Å; V53-L57 WeakPolarHBondContact O-CB 3.47Å; V53-L57 PolarHBondContact O-N 3.48Å; V53-V69 HydrophobicContact CG1-CG1 4.24Å; V53-V73 HydrophobicContact CG1-CG2 3.3Å
54	R	60.5	Low	61.3	Low	134 Å²	134	88.3 Å²	88.3	51%	0.506	43%	0.426	S	S	.	.	H	α-helix	trans	-61.7	-42.9	175.6	-70.2	-179	-142.3	-172.9	4.7	112.2	E50 L57 C58	E50-R54 WeakPolarHBondContact O-CG 3.34Å; E50-R54 PolarHBondContact O-N 2.81Å; E50-R54 IonicContact OE1-NH2 3.73Å; E50-R54 IonicContact OE2-CZ 2.86Å; E50-R54 IonicContact OE2-NH2 3.99Å; E50-R54 PolarHBondContact OE2-NH2 2.91Å; R54-L57 WeakPolarHBondContact O-CB 3.28Å; R54-L57 PolarHBondContact O-N 3.37Å; R54-C58 PolarHBondContact O-N 3.47Å; R54-C58 VanDerWaalsContact O-N 3.09Å
55	K	60	Low	61.7	Low	138 Å²	138	82.1 Å²	82.1	60%	0.6	40%	0.398	S	S	*	.	H	α-helix	trans	-63	-41.9	176	-80.7	179.3	178.1	179.3	0	112.2	M51 C52 V53 L57 C58 Q59	M51-K55 WeakPolarHBondContact O-CB 3.21Å; M51-K55 WeakPolarHBondContact O-CG 3.23Å; M51-K55 PolarHBondContact O-N 2.85Å; C52-K55 PolarHBondContact O-N 3.09Å; V53-K55 PolarHBondContact O-N 2.94Å; K55-L57 VanDerWaalsContact C-N 3.35Å; K55-C58 WeakPolarHBondContact O-CB 3.46Å; K55-C58 PolarHBondContact O-N 3.24Å; K55-Q59 PolarHBondContact O-N 2.94Å; K55-Q59 VanDerWaalsContact O-N 3.14Å
56	L	60.4	Low	62.3	Low	19 Å²	19	82.4 Å²	82.4	10%	0.099	40%	0.399	C	S	.	.	H	α-helix	trans	-63	-43.1	177.4	-161	168.1	0	0	0	110.4	F16 R23 C52 V53 C58 Q59 E60 V69	F16-L56 HydrophobicContact CE1-CD1 3.86Å; F16-L56 HydrophobicContact CZ-CD1 4.28Å; R23-L56 HydrophobicContact CB-CD1 4.13Å; R23-L56 VanDerWaalsContact CD-CD1 3.45Å; R23-L56 HydrophobicContact CG-CD1 3.93Å; C52-L56 VanDerWaalsContact O-CB 3.25Å; C52-L56 WeakPolarHBondContact O-CB 3.41Å; C52-L56 PolarHBondContact O-N 3.26Å; V53-L56 WeakPolarHBondContact O-CB 3.46Å; V53-L56 PolarHBondContact O-N 3.38Å; L56-C58 VanDerWaalsContact C-N 3.27Å; L56-C58 PolarHBondContact O-N 3.39Å; L56-Q59 PolarHBondContact O-N 3.01Å; L56-Q59 VanDerWaalsContact O-N 3.15Å; L56-E60 WeakPolarHBondContact O-CB 3.39Å; L56-E60 PolarHBondContact O-N 2.88Å; L56-V69 HydrophobicContact CD2-CG2 4.36Å
57	L	59.1	Low	62.8	Low	44 Å²	44	84 Å²	84	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-59.2	-35.2	173.1	-127.6	144.9	0	0	0	113.2	V53 R54 K55 L66 V69 K70 V73	V53-L57 WeakPolarHBondContact O-CB 3.47Å; V53-L57 PolarHBondContact O-N 3.48Å; R54-L57 WeakPolarHBondContact O-CB 3.28Å; R54-L57 PolarHBondContact O-N 3.37Å; K55-L57 VanDerWaalsContact C-N 3.35Å; L57-L66 HydrophobicContact CD2-CD1 3.49Å; L57-L66 VanDerWaalsContact CD2-CD1 3.49Å; L57-L66 HydrophobicContact CG-CD1 4.08Å; L57-V69 HydrophobicContact CB-CG1 4.5Å; L57-V69 HydrophobicContact CD1-CG1 3.55Å; L57-V69 HydrophobicContact CG-CG1 3.77Å; L57-K70 HydrophobicContact CD2-CG 4.08Å; L57-V73 HydrophobicContact CD1-CB 4.41Å; L57-V73 HydrophobicContact CD1-CG2 3.64Å
58	C	61.9	Low	63.1	Low	118 Å²	118	83.1 Å²	83.1	80%	0.797	41%	0.413	S	S	*	.	H	α-helix	trans	-76.7	-23.6	177.3	-78.2	0	0	0	0	113.9	R54 K55 L56	R54-C58 PolarHBondContact O-N 3.47Å; R54-C58 VanDerWaalsContact O-N 3.09Å; K55-C58 WeakPolarHBondContact O-CB 3.46Å; K55-C58 PolarHBondContact O-N 3.24Å; L56-C58 VanDerWaalsContact C-N 3.27Å; L56-C58 PolarHBondContact O-N 3.39Å
59	Q	59.3	Low	63.6	Low	164 Å²	164	78.4 Å²	78.4	77%	0.766	39%	0.391	S	S	*	.	H	α-helix	trans	-98.6	-16.9	-179	-63.7	-148.4	-40.9	0	0	113.8	K55 L56 K61	K55-Q59 PolarHBondContact O-N 2.94Å; K55-Q59 VanDerWaalsContact O-N 3.14Å; L56-Q59 PolarHBondContact O-N 3.01Å; L56-Q59 VanDerWaalsContact O-N 3.15Å; Q59-K61 PolarHBondContact O-N 3.49Å
60	E	64	Low	64	Low	35 Å²	35	81.7 Å²	81.7	16%	0.164	40%	0.404	C	S	.	.			trans	-78.4	117.9	-176.5	-127.2	61	165.7	0	0	112.2	R23 L56 V65	R23-E60 IonicContact CZ-OE1 3.53Å; R23-E60 IonicContact NE-OE1 3.37Å; R23-E60 PolarHBondContact NE-OE1 3.11Å; R23-E60 IonicContact NH2-OE1 3.93Å; R23-E60 PolarHBondContact NH2-OE1 3.31Å; R23-E60 IonicContact NH2-OE2 2.91Å; L56-E60 WeakPolarHBondContact O-CB 3.39Å; L56-E60 PolarHBondContact O-N 2.88Å; E60-V65 HydrophobicContact CG-CB 4.24Å; E60-V65 HydrophobicContact CG-CG1 3.72Å
61	K	62.1	Low	64.4	Low	208 Å²	208	86.3 Å²	86.3	90%	0.904	42%	0.423	S	S	*	.			trans	-93.7	-9.9	177.8	-68.7	-169	178.1	173	0	113.9	Q59	Q59-K61 PolarHBondContact O-N 3.49Å
62	D	73	Confident	64.8	Low	81 Å²	81	82.5 Å²	82.5	43%	0.433	41%	0.406	S	S	.	.			trans	-83.9	124.1	-179.4	-166.6	-56	0	0	0	110.5	D64 V65 L66	D62-D64 PolarHBondContact OD1-N 2.91Å; D62-V65 HydrophobicContact CB-CB 3.98Å; D62-V65 HydrophobicContact CB-CG2 3.66Å; D62-V65 PolarHBondContact OD1-N 3.18Å; D62-L66 VanDerWaalsContact O-CB 3.23Å; D62-L66 WeakPolarHBondContact O-CB 3.44Å; D62-L66 PolarHBondContact O-N 3.29Å
63	K	72.1	Confident	65	Low	178 Å²	178	83.3 Å²	83.3	77%	0.774	41%	0.41	S	S	*	.	H	α-helix	trans	-68.5	-36.7	-173.3	-79.8	-174.3	173.2	-180	0	113	A67	K63-A67 WeakPolarHBondContact O-CB 3.41Å; K63-A67 PolarHBondContact O-N 2.97Å
64	D	68.6	Low	65.1	Low	124 Å²	124	88.5 Å²	88.5	66%	0.663	44%	0.436	S	S	*	.	H	α-helix	trans	-74.3	-36.6	-177.6	-70.1	-48	0	0	0	110.5	D62 A67 I68	D62-D64 PolarHBondContact OD1-N 2.91Å; D64-A67 WeakPolarHBondContact O-CB 3.21Å; D64-A67 PolarHBondContact O-N 3.33Å; D64-I68 WeakPolarHBondContact O-CG1 3.46Å; D64-I68 PolarHBondContact O-N 3.34Å
65	V	63	Low	65.2	Low	9 Å²	9	88 Å²	88	6%	0.055	44%	0.439	C	S	.	.	H	α-helix	trans	-68.5	-45	176.2	-174.8	0	0	0	0	110	F20 M24 E60 D62 A67 I68 V69	F20-V65 HydrophobicContact CE2-CB 4.1Å; F20-V65 HydrophobicContact CE2-CG1 3.64Å; F20-V65 HydrophobicContact CE2-CG2 3.32Å; F20-V65 HydrophobicContact CZ-CG1 4.31Å; F20-V65 HydrophobicContact CZ-CG2 3.42Å; F20-V65 VanDerWaalsContact CZ-CG2 3.42Å; M24-V65 HydrophobicContact CE-CG1 4.37Å; E60-V65 HydrophobicContact CG-CB 4.24Å; E60-V65 HydrophobicContact CG-CG1 3.72Å; D62-V65 HydrophobicContact CB-CB 3.98Å; D62-V65 HydrophobicContact CB-CG2 3.66Å; D62-V65 PolarHBondContact OD1-N 3.18Å; V65-A67 PolarHBondContact O-N 3.36Å; V65-I68 PolarHBondContact O-N 3.03Å; V65-V69 HydrophobicContact CG1-CG2 4.25Å; V65-V69 WeakPolarHBondContact O-CB 3.45Å; V65-V69 VanDerWaalsContact O-CG2 3.23Å; V65-V69 WeakPolarHBondContact O-CG2 3.4Å; V65-V69 PolarHBondContact O-N 3.14Å
66	L	68.1	Low	65.2	Low	40 Å²	40	82.1 Å²	82.1	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-58.4	-38.1	174.4	-173	68.6	0	0	0	111.3	L57 D62 K70	L57-L66 HydrophobicContact CD2-CD1 3.49Å; L57-L66 VanDerWaalsContact CD2-CD1 3.49Å; L57-L66 HydrophobicContact CG-CD1 4.08Å; D62-L66 VanDerWaalsContact O-CB 3.23Å; D62-L66 WeakPolarHBondContact O-CB 3.44Å; D62-L66 PolarHBondContact O-N 3.29Å; L66-K70 HydrophobicContact CG-CD 4.21Å; L66-K70 WeakPolarHBondContact O-CB 3.46Å; L66-K70 WeakPolarHBondContact O-CG 3.49Å; L66-K70 PolarHBondContact O-N 3.18Å
67	A	68.9	Low	65.3	Low	54 Å²	54	85.1 Å²	85.1	45%	0.446	43%	0.431	S	S	.	.	H	α-helix	trans	-66.5	-44.2	177.2	0	0	0	0	0	112.3	K63 D64 V65 K70 K71	K63-A67 WeakPolarHBondContact O-CB 3.41Å; K63-A67 PolarHBondContact O-N 2.97Å; D64-A67 WeakPolarHBondContact O-CB 3.21Å; D64-A67 PolarHBondContact O-N 3.33Å; V65-A67 PolarHBondContact O-N 3.36Å; A67-K70 PolarHBondContact O-N 2.96Å; A67-K71 WeakPolarHBondContact O-CB 3.31Å; A67-K71 PolarHBondContact O-N 3.33Å
68	I	67.3	Low	65.6	Low	79 Å²	79	93.1 Å²	93.1	41%	0.405	46%	0.458	S	S	.	.	H	α-helix	trans	-66.3	-43	177.2	-64.6	165.8	0	0	0	111	M24 D64 V65 K71 T72	M24-I68 HydrophobicContact CE-CB 4.42Å; M24-I68 HydrophobicContact CE-CG2 3.89Å; M24-I68 HydrophobicContact SD-CG2 3.77Å; D64-I68 WeakPolarHBondContact O-CG1 3.46Å; D64-I68 PolarHBondContact O-N 3.34Å; V65-I68 PolarHBondContact O-N 3.03Å; I68-K71 PolarHBondContact O-N 3.11Å; I68-T72 PolarHBondContact O-N 3.21Å; I68-T72 PolarHBondContact O-OG1 3.25Å
69	V	65.3	Low	65.1	Low	3 Å²	3	92 Å²	92	2%	0.018	44%	0.442	C	S	.	.	H	α-helix	trans	-65.4	-44.6	177.4	175.9	0	0	0	0	110.2	M24 V53 L56 L57 V65 K71 T72 V73	M24-V69 HydrophobicContact CE-CG2 3.81Å; V53-V69 HydrophobicContact CG1-CG1 4.24Å; L56-V69 HydrophobicContact CD2-CG2 4.36Å; L57-V69 HydrophobicContact CB-CG1 4.5Å; L57-V69 HydrophobicContact CD1-CG1 3.55Å; L57-V69 HydrophobicContact CG-CG1 3.77Å; V65-V69 HydrophobicContact CG1-CG2 4.25Å; V65-V69 WeakPolarHBondContact O-CB 3.45Å; V65-V69 VanDerWaalsContact O-CG2 3.23Å; V65-V69 WeakPolarHBondContact O-CG2 3.4Å; V65-V69 PolarHBondContact O-N 3.14Å; V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.41Å; V69-T72 PolarHBondContact O-N 3.46Å; V69-V73 HydrophobicContact CG1-CG2 4.36Å; V69-V73 WeakPolarHBondContact O-CB 3.48Å; V69-V73 WeakPolarHBondContact O-CG2 3.47Å; V69-V73 PolarHBondContact O-N 3.22Å
70	K	68.3	Low	64.8	Low	108 Å²	108	86.3 Å²	86.3	47%	0.47	42%	0.416	S	S	.	.	H	α-helix	trans	-58.8	-41.1	174.2	-81.2	177.7	177.2	-177.7	0	112.4	L57 L66 A67 V73 L74	L57-K70 HydrophobicContact CD2-CG 4.08Å; L66-K70 HydrophobicContact CG-CD 4.21Å; L66-K70 WeakPolarHBondContact O-CB 3.46Å; L66-K70 WeakPolarHBondContact O-CG 3.49Å; L66-K70 PolarHBondContact O-N 3.18Å; A67-K70 PolarHBondContact O-N 2.96Å; K70-V73 PolarHBondContact O-N 3.09Å; K70-L74 WeakPolarHBondContact O-CB 3.25Å; K70-L74 WeakPolarHBondContact O-CG 3.41Å; K70-L74 PolarHBondContact O-N 3.38Å
71	K	69	Low	64	Low	139 Å²	139	91 Å²	91	60%	0.604	44%	0.439	S	S	*	.	H	α-helix	trans	-63.5	-45.6	176	-173.3	179.6	177.1	-177.5	0	111.3	A67 I68 V69 L74 E75	A67-K71 WeakPolarHBondContact O-CB 3.31Å; A67-K71 PolarHBondContact O-N 3.33Å; I68-K71 PolarHBondContact O-N 3.11Å; V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.41Å; K71-L74 PolarHBondContact O-N 2.77Å; K71-E75 PolarHBondContact O-N 2.76Å
72	T	64.4	Low	63.4	Low	19 Å²	19	84 Å²	84	12%	0.117	42%	0.417	C	S	.	.	H	α-helix	trans	-63	-43.2	177.2	-50.2	0	0	0	0	111.1	C27 I68 V69 L74 E75 L76	C27-T72 HydrophobicContact CB-CG2 3.87Å; I68-T72 PolarHBondContact O-N 3.21Å; I68-T72 PolarHBondContact O-OG1 3.25Å; V69-T72 PolarHBondContact O-N 3.46Å; T72-L74 VanDerWaalsContact C-N 3.35Å; T72-L74 PolarHBondContact O-N 3Å; T72-E75 PolarHBondContact O-N 2.91Å; T72-L76 HydrophobicContact CG2-CD1 4.07Å; T72-L76 HydrophobicContact CG2-CG 4.46Å; T72-L76 WeakPolarHBondContact O-CB 3.32Å; T72-L76 VanDerWaalsContact O-CG 3.26Å; T72-L76 WeakPolarHBondContact O-CG 3.44Å; T72-L76 PolarHBondContact O-N 3.44Å
73	V	65.6	Low	62.3	Low	45 Å²	45	81.6 Å²	81.6	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-61.3	-43.1	175.5	168.4	0	0	0	0	111.2	V53 L57 V69 K70 E75 L76 D77	V53-V73 HydrophobicContact CG1-CG2 3.3Å; L57-V73 HydrophobicContact CD1-CB 4.41Å; L57-V73 HydrophobicContact CD1-CG2 3.64Å; V69-V73 HydrophobicContact CG1-CG2 4.36Å; V69-V73 WeakPolarHBondContact O-CB 3.48Å; V69-V73 WeakPolarHBondContact O-CG2 3.47Å; V69-V73 PolarHBondContact O-N 3.22Å; K70-V73 PolarHBondContact O-N 3.09Å; V73-E75 VanDerWaalsContact C-N 3.34Å; V73-E75 PolarHBondContact O-N 3.27Å; V73-L76 CarbonylContact O-C 3.58Å; V73-L76 PolarHBondContact O-N 3.13Å; V73-D77 VanDerWaalsContact O-CB 3.25Å; V73-D77 WeakPolarHBondContact O-CB 3.41Å; V73-D77 PolarHBondContact O-N 2.74Å
74	L	65.4	Low	61.3	Low	119 Å²	119	77.6 Å²	77.6	62%	0.623	39%	0.39	S	S	*	.	H	α-helix	trans	-62.7	-39.1	175.8	-81.9	164.9	0	0	0	112.6	K70 K71 T72 R78	K70-L74 WeakPolarHBondContact O-CB 3.25Å; K70-L74 WeakPolarHBondContact O-CG 3.41Å; K70-L74 PolarHBondContact O-N 3.38Å; K71-L74 PolarHBondContact O-N 2.77Å; T72-L74 VanDerWaalsContact C-N 3.35Å; T72-L74 PolarHBondContact O-N 3Å; L74-R78 WeakPolarHBondContact O-CB 3.25Å; L74-R78 PolarHBondContact O-N 3.14Å
75	E	63.6	Low	60.2	Low	123 Å²	123	77.9 Å²	77.9	58%	0.575	39%	0.389	S	S	*	.	H	α-helix	trans	-68	-37.5	174.3	-70.1	-165.6	93.2	0	0	111.9	K71 T72 V73 M79	K71-E75 PolarHBondContact O-N 2.76Å; T72-E75 PolarHBondContact O-N 2.91Å; V73-E75 VanDerWaalsContact C-N 3.34Å; V73-E75 PolarHBondContact O-N 3.27Å; E75-M79 PolarHBondContact O-N 3.38Å; E75-M79 VanDerWaalsContact O-N 3.11Å
76	L	60.8	Low	59.5	Low	16 Å²	16	84.9 Å²	84.9	8%	0.084	42%	0.419	C	S	.	.	H	α-helix	trans	-66.9	-40.9	174.6	-71.9	169.2	0	0	0	112.4	L30 K34 T72 V73 M79 E80	L30-L76 HydrophobicContact CB-CD2 4.49Å; L30-L76 HydrophobicContact CD1-CD1 4.31Å; L30-L76 HydrophobicContact CD2-CD1 3.99Å; L30-L76 HydrophobicContact CD2-CD2 4Å; K34-L76 HydrophobicContact CD-CD2 4.42Å; T72-L76 HydrophobicContact CG2-CD1 4.07Å; T72-L76 HydrophobicContact CG2-CG 4.46Å; T72-L76 WeakPolarHBondContact O-CB 3.32Å; T72-L76 VanDerWaalsContact O-CG 3.26Å; T72-L76 WeakPolarHBondContact O-CG 3.44Å; T72-L76 PolarHBondContact O-N 3.44Å; V73-L76 CarbonylContact O-C 3.58Å; V73-L76 PolarHBondContact O-N 3.13Å; L76-M79 CarbonylContact O-C 3.54Å; L76-M79 PolarHBondContact O-N 3.02Å; L76-E80 VanDerWaalsContact O-CB 3.31Å; L76-E80 WeakPolarHBondContact O-CB 3.38Å; L76-E80 PolarHBondContact O-N 3.43Å
77	D	62.7	Low	58.6	Low	81 Å²	81	86.2 Å²	86.2	43%	0.433	42%	0.424	S	S	.	.	H	α-helix	trans	-65.9	-41.8	177.7	-173.1	-89.3	0	0	0	111	V73 M79 E80 M81	V73-D77 VanDerWaalsContact O-CB 3.25Å; V73-D77 WeakPolarHBondContact O-CB 3.41Å; V73-D77 PolarHBondContact O-N 2.74Å; D77-M79 VanDerWaalsContact C-N 3.33Å; D77-M79 PolarHBondContact O-N 3.03Å; D77-E80 WeakPolarHBondContact O-CB 3.28Å; D77-E80 PolarHBondContact O-N 2.84Å; D77-E80 VanDerWaalsContact O-N 3.15Å; D77-M81 PolarHBondContact O-N 2.62Å
78	R	64.5	Low	57.6	Low	212 Å²	212	89.9 Å²	89.9	80%	0.8	43%	0.43	S	S	*	.	H	α-helix	trans	-64.2	-37	174.8	-155.1	178.7	-149.1	-117.1	3.7	112.5	L74	L74-R78 WeakPolarHBondContact O-CB 3.25Å; L74-R78 PolarHBondContact O-N 3.14Å
79	M	51.9	Low	56.7	Low	96 Å²	96	93.3 Å²	93.3	47%	0.473	44%	0.442	S	S	.	.	H	α-helix	trans	-73.3	-36.6	171.5	-79.4	-178	116.2	0	0	112	E75 L76 D77 S82 M83	E75-M79 PolarHBondContact O-N 3.38Å; E75-M79 VanDerWaalsContact O-N 3.11Å; L76-M79 CarbonylContact O-C 3.54Å; L76-M79 PolarHBondContact O-N 3.02Å; D77-M79 VanDerWaalsContact C-N 3.33Å; D77-M79 PolarHBondContact O-N 3.03Å; M79-S82 PolarHBondContact O-N 3.17Å; M79-S82 PolarHBondContact O-OG 2.77Å; M79-M83 PolarHBondContact O-N 2.87Å; M79-M83 VanDerWaalsContact O-N 3.16Å
80	E	51.8	Low	55.8	Low	44 Å²	44	97.8 Å²	97.8	21%	0.206	47%	0.466	C	S	.	.	H	α-helix	trans	-61.2	-42.5	175.3	179	161.4	110.6	0	0	111.8	K34 E50 L76 D77 S82 M83 D84	K34-E80 IonicContact NZ-OE2 3.83Å; E50-E80 VanDerWaalsContact CD-OE2 3.25Å; L76-E80 VanDerWaalsContact O-CB 3.31Å; L76-E80 WeakPolarHBondContact O-CB 3.38Å; L76-E80 PolarHBondContact O-N 3.43Å; D77-E80 WeakPolarHBondContact O-CB 3.28Å; D77-E80 PolarHBondContact O-N 2.84Å; D77-E80 VanDerWaalsContact O-N 3.15Å; E80-S82 PolarHBondContact O-N 3.22Å; E80-M83 CarbonylContact O-C 3.48Å; E80-M83 WeakPolarHBondContact O-CA 3.34Å; E80-M83 VanDerWaalsContact O-CB 3.28Å; E80-M83 WeakPolarHBondContact O-CB 3.44Å; E80-M83 PolarHBondContact O-N 3.15Å; E80-D84 PolarHBondContact O-N 3.16Å
81	M	47.2	Very low	54.8	Low	132 Å²	132	101.2 Å²	101.2	65%	0.65	48%	0.477	S	S	*	.	H	α-helix	trans	-60.7	-29.7	177.1	-168.9	161.7	-90.6	0	0	112.9	D77 M85	D77-M81 PolarHBondContact O-N 2.62Å; M81-M85 PolarHBondContact O-N 3.37Å
82	S	50.3	Low	53.9	Low	63 Å²	63	99.7 Å²	99.7	44%	0.441	47%	0.472	S	S	.	.	H	α-helix	trans	-71.8	-37.3	170.3	74.7	0	0	0	0	112	M79 E80 M85 F86	M79-S82 PolarHBondContact O-N 3.17Å; M79-S82 PolarHBondContact O-OG 2.77Å; E80-S82 PolarHBondContact O-N 3.22Å; S82-M85 WeakPolarHBondContact O-CB 3.39Å; S82-M85 PolarHBondContact O-N 3.47Å; S82-F86 VanDerWaalsContact O-CD2 3.27Å; S82-F86 WeakPolarHBondContact O-CD2 3.44Å; S82-F86 PolarHBondContact O-N 3.46Å
83	M	49.8	Very low	53.2	Low	30 Å²	30	105.3 Å²	105.3	15%	0.148	50%	0.495	C	S	.	.	H	α-helix	trans	-74	-36.9	-178.4	-162.4	174.9	-179.8	0	0	113	K34 I39 L46 M79 E80 M85 F86 Q87	K34-M83 WeakPolarHBondContact CE-SD 3.38Å; I39-M83 HydrophobicContact CD1-CE 3.13Å; I39-M83 HydrophobicContact CG1-CE 3.77Å; L46-M83 HydrophobicContact CD2-CE 3.76Å; L46-M83 HydrophobicContact CD2-SD 3.73Å; M79-M83 PolarHBondContact O-N 2.87Å; M79-M83 VanDerWaalsContact O-N 3.16Å; E80-M83 CarbonylContact O-C 3.48Å; E80-M83 WeakPolarHBondContact O-CA 3.34Å; E80-M83 VanDerWaalsContact O-CB 3.28Å; E80-M83 WeakPolarHBondContact O-CB 3.44Å; E80-M83 PolarHBondContact O-N 3.15Å; M83-M85 VanDerWaalsContact C-N 3.28Å; M83-M85 PolarHBondContact O-N 3Å; M83-F86 PolarHBondContact O-N 3.24Å; M83-Q87 WeakPolarHBondContact O-CG 3.16Å; M83-Q87 PolarHBondContact O-N 3.5Å
84	D	50.8	Low	52.8	Low	93 Å²	93	108 Å²	108	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-62.5	-38.8	173.2	-142.3	-87.6	0	0	0	110.3	E80 F86 Q87 K88	E80-D84 PolarHBondContact O-N 3.16Å; D84-F86 PolarHBondContact O-N 3.16Å; D84-Q87 PolarHBondContact O-N 2.79Å; D84-K88 WeakPolarHBondContact O-CB 3.27Å; D84-K88 PolarHBondContact O-N 3.36Å
85	M	46.6	Very low	52.3	Low	130 Å²	130	107.2 Å²	107.2	64%	0.64	50%	0.504	S	S	*	.	H	α-helix	trans	-65.5	-35.8	174.3	-151.2	-171.2	-59.7	0	0	112.6	M81 S82 M83 K89	M81-M85 PolarHBondContact O-N 3.37Å; S82-M85 WeakPolarHBondContact O-CB 3.39Å; S82-M85 PolarHBondContact O-N 3.47Å; M83-M85 VanDerWaalsContact C-N 3.28Å; M83-M85 PolarHBondContact O-N 3Å; M85-K89 WeakPolarHBondContact O-CB 3.43Å; M85-K89 PolarHBondContact O-N 3.2Å; M85-K89 VanDerWaalsContact O-N 3.16Å
86	F	46.3	Very low	52.2	Low	156 Å²	156	106.7 Å²	106.7	68%	0.684	50%	0.504	S	S	*	.	H	α-helix	trans	-72.3	-41.7	173.5	-89	-83.2	0	0	0	112.3	S82 M83 D84 K89 N90	S82-F86 VanDerWaalsContact O-CD2 3.27Å; S82-F86 WeakPolarHBondContact O-CD2 3.44Å; S82-F86 PolarHBondContact O-N 3.46Å; M83-F86 PolarHBondContact O-N 3.24Å; D84-F86 PolarHBondContact O-N 3.16Å; F86-K89 PolarHBondContact O-N 3.44Å; F86-N90 PolarHBondContact O-N 3.46Å
87	Q	49.6	Very low	52.6	Low	68 Å²	68	110.9 Å²	110.9	32%	0.318	53%	0.527	S	S	.	.	H	α-helix	trans	-66.6	-44.8	177.1	-75.5	-178.4	64.6	0	0	111.7	M43 M83 D84 K89 N90 Y91	M43-Q87 PolarHBondContact SD-OE1 2.87Å; M43-Q87 VanDerWaalsContact SD-OE1 3.37Å; M83-Q87 WeakPolarHBondContact O-CG 3.16Å; M83-Q87 PolarHBondContact O-N 3.5Å; D84-Q87 PolarHBondContact O-N 2.79Å; Q87-K89 VanDerWaalsContact C-N 3.33Å; Q87-K89 PolarHBondContact O-N 3.04Å; Q87-N90 PolarHBondContact O-N 2.82Å; Q87-N90 VanDerWaalsContact O-N 3.15Å; Q87-Y91 WeakPolarHBondContact O-CB 3.44Å; Q87-Y91 PolarHBondContact O-N 3.15Å
88	K	49.1	Very low	52.6	Low	132 Å²	132	112.8 Å²	112.8	57%	0.574	53%	0.533	S	S	*	.	H	α-helix	trans	-60.4	-42.5	175.5	-173.1	176.1	178.6	178.6	0	111.7	D84 N90 Y91 E92	D84-K88 WeakPolarHBondContact O-CB 3.27Å; D84-K88 PolarHBondContact O-N 3.36Å; K88-N90 VanDerWaalsContact C-N 3.34Å; K88-N90 PolarHBondContact O-N 2.9Å; K88-Y91 PolarHBondContact O-N 3.17Å; K88-E92 WeakPolarHBondContact O-CB 3.4Å; K88-E92 PolarHBondContact O-N 3.04Å
89	K	47.5	Very low	52.7	Low	151 Å²	151	107.2 Å²	107.2	66%	0.657	52%	0.516	S	S	*	.	H	α-helix	trans	-62.3	-39.3	173.5	-109.1	-177.2	173.4	177.3	0	113.1	M85 F86 Q87 K93	M85-K89 WeakPolarHBondContact O-CB 3.43Å; M85-K89 PolarHBondContact O-N 3.2Å; M85-K89 VanDerWaalsContact O-N 3.16Å; F86-K89 PolarHBondContact O-N 3.44Å; Q87-K89 VanDerWaalsContact C-N 3.33Å; Q87-K89 PolarHBondContact O-N 3.04Å; K89-K93 WeakPolarHBondContact O-CB 3.37Å; K89-K93 PolarHBondContact O-N 3.45Å
90	N	46.7	Very low	53.7	Low	97 Å²	97	108.4 Å²	108.4	52%	0.519	52%	0.518	S	S	.	.	H	α-helix	trans	-68.5	-42.2	176.5	-110.3	54	0	0	0	111.3	F86 Q87 K88 K93 D94	F86-N90 PolarHBondContact O-N 3.46Å; Q87-N90 PolarHBondContact O-N 2.82Å; Q87-N90 VanDerWaalsContact O-N 3.15Å; K88-N90 VanDerWaalsContact C-N 3.34Å; K88-N90 PolarHBondContact O-N 2.9Å; N90-K93 WeakPolarHBondContact O-CB 3.44Å; N90-K93 PolarHBondContact O-N 3.34Å; N90-D94 PolarHBondContact O-N 3.37Å
91	Y	47.8	Very low	54.4	Low	180 Å²	180	112.3 Å²	112.3	71%	0.706	54%	0.537	S	S	*	.	H	α-helix	trans	-65.4	-41.2	177.6	-141.2	-85.7	0	0	0	112	Q87 K88 K93 L95	Q87-Y91 WeakPolarHBondContact O-CB 3.44Å; Q87-Y91 PolarHBondContact O-N 3.15Å; K88-Y91 PolarHBondContact O-N 3.17Å; Y91-K93 VanDerWaalsContact C-N 3.31Å; Y91-L95 WeakPolarHBondContact O-CB 3.4Å; Y91-L95 PolarHBondContact O-N 2.86Å
92	E	49.5	Very low	55.5	Low	106 Å²	106	112.2 Å²	112.2	50%	0.495	53%	0.529	S	S	.	.	H	α-helix	trans	-62.9	-38.1	171.8	-85.7	179.4	88.3	0	0	111.7	K88 L95 L96	K88-E92 WeakPolarHBondContact O-CB 3.4Å; K88-E92 PolarHBondContact O-N 3.04Å; E92-L95 PolarHBondContact O-N 3.49Å; E92-L96 WeakPolarHBondContact O-CB 3.49Å; E92-L96 WeakPolarHBondContact O-CG 3.49Å; E92-L96 PolarHBondContact O-N 3.09Å
93	K	49.6	Very low	56.4	Low	137 Å²	137	115.6 Å²	115.6	60%	0.596	54%	0.538	S	S	*	.	H	α-helix	trans	-65.3	-47.8	176.6	-115.9	-177	174	-177.5	0	112.4	K89 N90 Y91 L95 L96 D97	K89-K93 WeakPolarHBondContact O-CB 3.37Å; K89-K93 PolarHBondContact O-N 3.45Å; N90-K93 WeakPolarHBondContact O-CB 3.44Å; N90-K93 PolarHBondContact O-N 3.34Å; Y91-K93 VanDerWaalsContact C-N 3.31Å; K93-L95 VanDerWaalsContact C-N 3.25Å; K93-L95 PolarHBondContact O-N 3.47Å; K93-L96 PolarHBondContact O-N 3.07Å; K93-D97 PolarHBondContact O-N 3.39Å
94	D	57.4	Low	57.5	Low	101 Å²	101	119.1 Å²	119.1	54%	0.54	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-37	179.1	-70	-9.7	0	0	0	110.7	N90 Q98	N90-D94 PolarHBondContact O-N 3.37Å; D94-Q98 WeakPolarHBondContact O-CB 3.48Å; D94-Q98 PolarHBondContact O-N 3.2Å
95	L	55.8	Low	58.9	Low	104 Å²	104	120.3 Å²	120.3	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-67.5	-41.7	175.5	-155.5	78.3	0	0	0	112.2	Y91 E92 K93 Q98 E99	Y91-L95 WeakPolarHBondContact O-CB 3.4Å; Y91-L95 PolarHBondContact O-N 2.86Å; E92-L95 PolarHBondContact O-N 3.49Å; K93-L95 VanDerWaalsContact C-N 3.25Å; K93-L95 PolarHBondContact O-N 3.47Å; L95-Q98 PolarHBondContact O-N 3.12Å; L95-E99 PolarHBondContact O-N 2.92Å; L95-E99 VanDerWaalsContact O-N 3.12Å
96	L	61.3	Low	60.4	Low	111 Å²	111	119.4 Å²	119.4	58%	0.581	56%	0.557	S	S	*	*	H	α-helix	trans	-65.4	-41.5	177.2	-91.3	159.3	0	0	0	112.5	E92 K93 Q98 E99 K100	E92-L96 WeakPolarHBondContact O-CB 3.49Å; E92-L96 WeakPolarHBondContact O-CG 3.49Å; E92-L96 PolarHBondContact O-N 3.09Å; K93-L96 PolarHBondContact O-N 3.07Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.37Å; L96-E99 PolarHBondContact O-N 3.47Å; L96-K100 WeakPolarHBondContact O-CB 3.34Å; L96-K100 PolarHBondContact O-N 3.21Å; L96-K100 VanDerWaalsContact O-N 3.09Å
97	D	68	Low	61.7	Low	105 Å²	105	119.3 Å²	119.3	56%	0.561	56%	0.557	S	S	*	*	H	α-helix	trans	-63.9	-38.7	177	-81.1	-9	0	0	0	110.8	K93 E99 K100 E101	K93-D97 PolarHBondContact O-N 3.39Å; D97-E99 PolarHBondContact O-N 2.95Å; D97-K100 PolarHBondContact O-N 3.49Å; D97-E101 PolarHBondContact O-N 3.4Å; D97-E101 VanDerWaalsContact O-N 3.07Å
98	Q	62.6	Low	63.1	Low	121 Å²	121	121.1 Å²	121.1	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-68.5	-33.7	178.6	-140.4	178.4	23.9	0	0	113.5	D94 L95 L96 R102	D94-Q98 WeakPolarHBondContact O-CB 3.48Å; D94-Q98 PolarHBondContact O-N 3.2Å; L95-Q98 PolarHBondContact O-N 3.12Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.37Å; Q98-R102 PolarHBondContact O-N 3.45Å
99	E	66.9	Low	64.5	Low	94 Å²	94	121 Å²	121	44%	0.439	57%	0.569	S	S	.	*	H	α-helix	trans	-70.8	-41.1	175.5	-171.6	131.8	-107.4	0	0	111.3	L95 L96 D97 R102 E103	L95-E99 PolarHBondContact O-N 2.92Å; L95-E99 VanDerWaalsContact O-N 3.12Å; L96-E99 PolarHBondContact O-N 3.47Å; D97-E99 PolarHBondContact O-N 2.95Å; E99-R102 WeakPolarHBondContact O-CB 3.47Å; E99-R102 PolarHBondContact O-N 3.49Å; E99-R102 IonicContact OE1-CZ 2.74Å; E99-R102 IonicContact OE1-NH1 3.86Å; E99-R102 PolarHBondContact OE1-NH1 3.11Å; E99-E103 PolarHBondContact O-N 3.04Å
100	K	74.1	Confident	65.8	Low	121 Å²	121	119.5 Å²	119.5	53%	0.526	57%	0.566	S	S	.	*	H	α-helix	trans	-64.7	-42.1	179	-165.8	-177	179.5	-153.1	0	112.5	L96 D97 R102 E103 E104	L96-K100 WeakPolarHBondContact O-CB 3.34Å; L96-K100 PolarHBondContact O-N 3.21Å; L96-K100 VanDerWaalsContact O-N 3.09Å; D97-K100 PolarHBondContact O-N 3.49Å; K100-R102 PolarHBondContact O-N 3.01Å; K100-E103 PolarHBondContact O-N 3.25Å; K100-E104 IonicContact NZ-OE1 3.95Å; K100-E104 WeakPolarHBondContact O-CG 3.35Å; K100-E104 PolarHBondContact O-N 3.37Å
101	E	65.9	Low	67.1	Low	126 Å²	126	119.9 Å²	119.9	59%	0.589	57%	0.565	S	S	*	*	H	α-helix	trans	-62.9	-35	176.6	-156.2	173.8	-148.1	0	0	111.3	D97 L105	D97-E101 PolarHBondContact O-N 3.4Å; D97-E101 VanDerWaalsContact O-N 3.07Å; E101-L105 PolarHBondContact O-N 3.2Å; E101-L105 VanDerWaalsContact O-N 3.11Å
102	R	69.9	Low	68.1	Low	130 Å²	130	117.6 Å²	117.6	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-67.4	-42	175.2	-163.7	-165.8	-52.3	123	3.6	112.3	Q98 E99 K100 L105 L106	Q98-R102 PolarHBondContact O-N 3.45Å; E99-R102 WeakPolarHBondContact O-CB 3.47Å; E99-R102 PolarHBondContact O-N 3.49Å; E99-R102 IonicContact OE1-CZ 2.74Å; E99-R102 IonicContact OE1-NH1 3.86Å; E99-R102 PolarHBondContact OE1-NH1 3.11Å; K100-R102 PolarHBondContact O-N 3.01Å; R102-L105 PolarHBondContact O-N 3.39Å; R102-L106 PolarHBondContact O-N 3.49Å; R102-L106 VanDerWaalsContact O-N 3.1Å
103	E	69.1	Low	69.1	Low	134 Å²	134	119.6 Å²	119.6	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-64.6	-42.6	175.9	-79.3	-174.5	105.9	0	0	111.8	E99 K100 L105 L106 F107	E99-E103 PolarHBondContact O-N 3.04Å; K100-E103 PolarHBondContact O-N 3.25Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.86Å; E103-L106 PolarHBondContact O-N 3.32Å; E103-F107 WeakPolarHBondContact O-CB 3.48Å; E103-F107 PolarHBondContact O-N 3.09Å
104	E	72.4	Confident	69.4	Low	105 Å²	105	121.1 Å²	121.1	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-62	-40.5	177.6	-73.3	178.1	178.9	0	0	111.8	K100 F107 L108	K100-E104 IonicContact NZ-OE1 3.95Å; K100-E104 WeakPolarHBondContact O-CG 3.35Å; K100-E104 PolarHBondContact O-N 3.37Å; E104-F107 PolarHBondContact O-N 3.07Å; E104-L108 WeakPolarHBondContact O-CD1 3.47Å; E104-L108 PolarHBondContact O-N 3.32Å; E104-L108 VanDerWaalsContact O-N 3.08Å
105	L	81.1	Confident	69.2	Low	118 Å²	118	126.7 Å²	126.7	62%	0.618	60%	0.602	S	S	*	*	H	α-helix	trans	-61.3	-46.5	173.5	-97.2	147.3	0	0	0	112.5	E101 R102 E103 F107 L108 E109	E101-L105 PolarHBondContact O-N 3.2Å; E101-L105 VanDerWaalsContact O-N 3.11Å; R102-L105 PolarHBondContact O-N 3.39Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.86Å; L105-F107 VanDerWaalsContact C-N 3.29Å; L105-F107 PolarHBondContact O-N 3.49Å; L105-L108 PolarHBondContact O-N 3.08Å; L105-E109 PolarHBondContact O-N 2.98Å; L105-E109 VanDerWaalsContact O-N 3.09Å
106	L	77.9	Confident	69.8	Low	111 Å²	111	127.8 Å²	127.8	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-62.6	-39	178.8	-127	104.2	0	0	0	111.7	R102 E103 E109 M110	R102-L106 PolarHBondContact O-N 3.49Å; R102-L106 VanDerWaalsContact O-N 3.1Å; E103-L106 PolarHBondContact O-N 3.32Å; L106-E109 PolarHBondContact O-N 3.26Å; L106-M110 WeakPolarHBondContact O-CG 3.42Å; L106-M110 PolarHBondContact O-N 3.49Å; L106-M110 VanDerWaalsContact O-N 3.12Å
107	F	74	Confident	70.3	Confident	154 Å²	154	128.7 Å²	128.7	68%	0.675	61%	0.607	S	S	*	*	H	α-helix	trans	-66.4	-40.6	179.3	-153.8	-89.5	0	0	0	111.6	E103 E104 L105 E109 M110 E111	E103-F107 WeakPolarHBondContact O-CB 3.48Å; E103-F107 PolarHBondContact O-N 3.09Å; E104-F107 PolarHBondContact O-N 3.07Å; L105-F107 VanDerWaalsContact C-N 3.29Å; L105-F107 PolarHBondContact O-N 3.49Å; F107-E109 VanDerWaalsContact C-N 3.33Å; F107-E109 PolarHBondContact O-N 3.1Å; F107-M110 PolarHBondContact O-N 3.35Å; F107-E111 PolarHBondContact O-N 3.04Å; F107-E111 VanDerWaalsContact O-N 3.08Å
108	L	77.7	Confident	70.4	Confident	105 Å²	105	130 Å²	130	55%	0.55	61%	0.609	S	S	.	*	H	α-helix	trans	-64.5	-35.6	173.7	-106.7	98.3	0	0	0	113.1	E104 L105 E111 Q112	E104-L108 WeakPolarHBondContact O-CD1 3.47Å; E104-L108 PolarHBondContact O-N 3.32Å; E104-L108 VanDerWaalsContact O-N 3.08Å; L105-L108 PolarHBondContact O-N 3.08Å; L108-E111 PolarHBondContact O-N 3.42Å; L108-Q112 WeakPolarHBondContact O-CG 3.42Å; L108-Q112 PolarHBondContact O-N 3.4Å; L108-Q112 VanDerWaalsContact O-N 3.07Å
109	E	78.9	Confident	70.9	Confident	129 Å²	129	130.5 Å²	130.5	60%	0.603	61%	0.612	S	S	*	*	H	α-helix	trans	-68.7	-40.4	179.3	-167.4	169.5	161.6	0	0	111.2	L105 L106 F107 Q112 L113	L105-E109 PolarHBondContact O-N 2.98Å; L105-E109 VanDerWaalsContact O-N 3.09Å; L106-E109 PolarHBondContact O-N 3.26Å; F107-E109 VanDerWaalsContact C-N 3.33Å; F107-E109 PolarHBondContact O-N 3.1Å; E109-Q112 PolarHBondContact O-N 3.46Å; E109-L113 PolarHBondContact O-N 3.06Å
110	M	76.1	Confident	71.1	Confident	120 Å²	120	132.8 Å²	132.8	59%	0.591	62%	0.623	S	S	*	*	H	α-helix	trans	-63.6	-43.7	173	-68.2	-108.4	-71.8	0	0	111.9	L106 F107 Q112 L113 E114	L106-M110 WeakPolarHBondContact O-CG 3.42Å; L106-M110 PolarHBondContact O-N 3.49Å; L106-M110 VanDerWaalsContact O-N 3.12Å; F107-M110 PolarHBondContact O-N 3.35Å; M110-Q112 VanDerWaalsContact C-N 3.28Å; M110-Q112 PolarHBondContact O-N 3.12Å; M110-L113 PolarHBondContact O-N 3.37Å; M110-L113 VanDerWaalsContact O-N 3.14Å; M110-E114 PolarHBondContact O-N 3.08Å
111	E	72.8	Confident	70.9	Confident	105 Å²	105	133.6 Å²	133.6	49%	0.491	63%	0.629	S	S	.	*	H	α-helix	trans	-64.6	-31.8	178.3	-161.2	-169.5	97.5	0	0	112.6	F107 L108 K115	F107-E111 PolarHBondContact O-N 3.04Å; F107-E111 VanDerWaalsContact O-N 3.08Å; L108-E111 PolarHBondContact O-N 3.42Å; E111-K115 PolarHBondContact O-N 3.14Å; E111-K115 IonicContact OE1-NZ 3.82Å
112	Q	68.6	Low	71.3	Confident	133 Å²	133	134.1 Å²	134.1	62%	0.621	63%	0.632	S	S	*	*	H	α-helix	trans	-75.3	-29.6	174.3	-78.3	-177.3	77.7	0	0	113.2	L108 E109 M110 E114	L108-Q112 WeakPolarHBondContact O-CG 3.42Å; L108-Q112 PolarHBondContact O-N 3.4Å; L108-Q112 VanDerWaalsContact O-N 3.07Å; E109-Q112 PolarHBondContact O-N 3.46Å; M110-Q112 VanDerWaalsContact C-N 3.28Å; M110-Q112 PolarHBondContact O-N 3.12Å; Q112-E114 VanDerWaalsContact C-N 3.35Å
113	L	70.6	Confident	71.4	Confident	148 Å²	148	134.5 Å²	134.5	78%	0.775	64%	0.643	S	S	*	*	H	α-helix	trans	-76.9	-23.3	175	-124.1	75.8	0	0	0	112.7	E109 M110	E109-L113 PolarHBondContact O-N 3.06Å; M110-L113 PolarHBondContact O-N 3.37Å; M110-L113 VanDerWaalsContact O-N 3.14Å
114	E	56.7	Low	71.6	Confident	168 Å²	168	134.5 Å²	134.5	79%	0.785	64%	0.644	S	S	*	*			trans	-86.6	-4.6	175.2	-81.4	-175.6	79	0	0	114.2	M110 Q112	M110-E114 PolarHBondContact O-N 3.08Å; Q112-E114 VanDerWaalsContact C-N 3.35Å
115	K	52	Low	71.5	Confident	218 Å²	218	137.2 Å²	137.2	95%	0.948	66%	0.658	S	S	*	*			trans	-96.7	0	172.9	-93.9	177.4	-180	151	0	112.6	E111	E111-K115 PolarHBondContact O-N 3.14Å; E111-K115 IonicContact OE1-NZ 3.82Å

Retrieved 115 of 115 residues in 253.1 ms (Link to these results)

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