A0A087WP21_MOUSE Loading...

ABPA12

AlphaFold DB , UniProt , Accession A0A087WP21, Species MOUSE (Mus musculus, Mouse), Gene Scgb1b12, Length 93 aa.

						>A0A087WP21_MOUSE|A0A087WP21|Scgb1b12
MKLAGAMVILGAALLLLTSGGDCGICPAIKEDVRLFLNGTSEAYVEYVKQYKDDPVTLENTAKIKQCVDSTLTEEDRAHATTFIEKIEASPLC
					

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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	58.7	Low	79.1	Confident	225 Å²	225	114.1 Å²	114.1	100%	1.108	64%	0.641	S	S	*	*				0	-29.4	0	-64.7	-150.5	-82.1	0	0	114.8	L3	M1-L3 PolarHBondContact O-N 2.63Å
2	K	72.1	Confident	79.2	Confident	201 Å²	201	108.4 Å²	108.4	87%	0.874	62%	0.619	S	S	*	*	H	α-helix	trans	-63.4	-36.4	178.7	-77.2	-179	169.1	178	0	115.2	G5 A6	K2-G5 PolarHBondContact O-N 3.17Å; K2-A6 PolarHBondContact O-N 2.96Å
3	L	77.7	Confident	79.2	Confident	149 Å²	149	103.2 Å²	103.2	78%	0.78	60%	0.598	S	S	*	*	H	α-helix	trans	-65.9	-39	-179.4	-79.1	163.9	0	0	0	113.3	M1 G5 A6 M7	M1-L3 PolarHBondContact O-N 2.63Å; L3-G5 PolarHBondContact O-N 3.09Å; L3-A6 PolarHBondContact O-N 3.41Å; L3-M7 PolarHBondContact O-N 2.95Å; L3-M7 VanDerWaalsContact O-N 3.11Å
4	A	80.8	Confident	79	Confident	64 Å²	64	103 Å²	103	53%	0.529	59%	0.592	S	S	.	*	H	α-helix	trans	-63.8	-42.1	179.5	0	0	0	0	0	111.7	A6 M7 V8	A4-A6 PolarHBondContact O-N 3.38Å; A4-M7 PolarHBondContact O-N 3.21Å; A4-V8 WeakPolarHBondContact O-CG2 3.25Å; A4-V8 PolarHBondContact O-N 3.4Å; A4-V8 VanDerWaalsContact O-N 3.08Å
5	G	79.3	Confident	78.5	Confident	38 Å²	38	104.3 Å²	104.3	39%	0.392	60%	0.596	S	S	.	*	H	α-helix	trans	-61.9	-41.3	176.1	0	0	0	0	0	112.8	K2 L3 M7 V8 I9	K2-G5 PolarHBondContact O-N 3.17Å; L3-G5 PolarHBondContact O-N 3.09Å; G5-M7 PolarHBondContact O-N 3.15Å; G5-V8 PolarHBondContact O-N 2.89Å; G5-I9 WeakPolarHBondContact O-CG1 3.4Å; G5-I9 PolarHBondContact O-N 3.02Å; G5-I9 VanDerWaalsContact O-N 3.09Å
6	A	83.4	Confident	77.9	Confident	51 Å²	51	105.8 Å²	105.8	42%	0.421	60%	0.6	S	S	.	*	H	α-helix	trans	-63.6	-39.5	176.6	0	0	0	0	0	112.5	K2 L3 A4 I9 L10	K2-A6 PolarHBondContact O-N 2.96Å; L3-A6 PolarHBondContact O-N 3.41Å; A4-A6 PolarHBondContact O-N 3.38Å; A6-I9 PolarHBondContact O-N 3.38Å; A6-L10 PolarHBondContact O-N 3.14Å
7	M	81.9	Confident	77.3	Confident	152 Å²	152	107.9 Å²	107.9	75%	0.749	61%	0.609	S	S	*	*	H	α-helix	trans	-64.5	-40	175	-94.4	176.4	166.4	0	0	112.8	L3 A4 G5 L10 G11	L3-M7 PolarHBondContact O-N 2.95Å; L3-M7 VanDerWaalsContact O-N 3.11Å; A4-M7 PolarHBondContact O-N 3.21Å; G5-M7 PolarHBondContact O-N 3.15Å; M7-L10 PolarHBondContact O-N 3.41Å; M7-G11 PolarHBondContact O-N 2.67Å
8	V	85.2	Confident	76.6	Confident	104 Å²	104	107.6 Å²	107.6	63%	0.63	61%	0.61	S	S	*	*	H	α-helix	trans	-64.3	-42.9	176.7	174.2	0	0	0	0	111	A4 G5 G11 A12	A4-V8 WeakPolarHBondContact O-CG2 3.25Å; A4-V8 PolarHBondContact O-N 3.4Å; A4-V8 VanDerWaalsContact O-N 3.08Å; G5-V8 PolarHBondContact O-N 2.89Å; V8-G11 PolarHBondContact O-N 3.04Å; V8-A12 WeakPolarHBondContact O-CB 3.34Å; V8-A12 PolarHBondContact O-N 3.2Å
9	I	84.9	Confident	75.7	Confident	122 Å²	122	105.4 Å²	105.4	63%	0.626	60%	0.602	S	S	*	*	H	α-helix	trans	-64.6	-43.5	177.5	-64.4	168.2	0	0	0	110.8	G5 A6 G11 A12 A13	G5-I9 WeakPolarHBondContact O-CG1 3.4Å; G5-I9 PolarHBondContact O-N 3.02Å; G5-I9 VanDerWaalsContact O-N 3.09Å; A6-I9 PolarHBondContact O-N 3.38Å; I9-G11 VanDerWaalsContact C-N 3.32Å; I9-G11 PolarHBondContact O-N 3.28Å; I9-A12 PolarHBondContact O-N 2.97Å; I9-A13 WeakPolarHBondContact O-CB 3.4Å; I9-A13 PolarHBondContact O-N 3.42Å
10	L	83.2	Confident	74.9	Confident	117 Å²	117	101.9 Å²	101.9	61%	0.613	59%	0.59	S	S	*	*	H	α-helix	trans	-61.8	-41.6	175.6	-118.6	92.8	0	0	0	111.7	A6 M7 A13 L14	A6-L10 PolarHBondContact O-N 3.14Å; M7-L10 PolarHBondContact O-N 3.41Å; L10-A13 PolarHBondContact O-N 2.94Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CD1 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 2.9Å
11	G	83.2	Confident	74.2	Confident	32 Å²	32	99.7 Å²	99.7	33%	0.33	59%	0.589	S	S	.	*	H	α-helix	trans	-63.7	-43.6	177.3	0	0	0	0	0	112.5	M7 V8 I9 L14 L15	M7-G11 PolarHBondContact O-N 2.67Å; V8-G11 PolarHBondContact O-N 3.04Å; I9-G11 VanDerWaalsContact C-N 3.32Å; I9-G11 PolarHBondContact O-N 3.28Å; G11-L14 PolarHBondContact O-N 2.91Å; G11-L15 WeakPolarHBondContact O-CB 3.12Å; G11-L15 WeakPolarHBondContact O-CG 3.4Å; G11-L15 PolarHBondContact O-N 3.07Å
12	A	80.8	Confident	74.4	Confident	46 Å²	46	93.3 Å²	93.3	38%	0.38	56%	0.559	S	S	.	*	H	α-helix	trans	-66	-41.4	175.3	0	0	0	0	0	112.1	V8 I9 L15 L16	V8-A12 WeakPolarHBondContact O-CB 3.34Å; V8-A12 PolarHBondContact O-N 3.2Å; I9-A12 PolarHBondContact O-N 2.97Å; A12-L15 PolarHBondContact O-N 3.44Å; A12-L16 WeakPolarHBondContact O-CB 3.31Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.48Å; A12-L16 PolarHBondContact O-N 2.95Å
13	A	78.1	Confident	74.4	Confident	41 Å²	41	88.7 Å²	88.7	34%	0.339	55%	0.552	S	S	.	*	H	α-helix	trans	-63.9	-43	175.6	0	0	0	0	0	111.5	I9 L10 L16 L17	I9-A13 WeakPolarHBondContact O-CB 3.4Å; I9-A13 PolarHBondContact O-N 3.42Å; L10-A13 PolarHBondContact O-N 2.94Å; A13-L16 PolarHBondContact O-N 3.47Å; A13-L17 VanDerWaalsContact O-CB 3.28Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 WeakPolarHBondContact O-CD1 3.41Å; A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.08Å
14	L	76.8	Confident	74.4	Confident	100 Å²	100	83.3 Å²	83.3	52%	0.524	53%	0.532	S	S	.	.	H	α-helix	trans	-60.5	-46.7	173.8	-80	160	0	0	0	111.1	L10 G11 L16 L17 T18	L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CD1 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 2.9Å; G11-L14 PolarHBondContact O-N 2.91Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 3.22Å; L14-L17 PolarHBondContact O-N 3.46Å; L14-T18 WeakPolarHBondContact O-CB 3.23Å; L14-T18 VanDerWaalsContact O-CG2 3.31Å; L14-T18 WeakPolarHBondContact O-CG2 3.47Å; L14-T18 PolarHBondContact O-N 3.02Å; L14-T18 PolarHBondContact O-OG1 2.94Å
15	L	71.8	Confident	74.5	Confident	123 Å²	123	85 Å²	85	64%	0.644	53%	0.531	S	S	*	.	H	α-helix	trans	-58.1	-45	176.1	-78.3	165.1	0	0	0	112	G11 A12 T18 S19	G11-L15 WeakPolarHBondContact O-CB 3.12Å; G11-L15 WeakPolarHBondContact O-CG 3.4Å; G11-L15 PolarHBondContact O-N 3.07Å; A12-L15 PolarHBondContact O-N 3.44Å; L15-T18 WeakPolarHBondContact CA-OG1 3.33Å; L15-T18 PolarHBondContact O-N 3.41Å; L15-T18 PolarHBondContact O-OG1 3.19Å; L15-T18 VanDerWaalsContact O-OG1 3.11Å; L15-S19 WeakPolarHBondContact O-CB 3.02Å; L15-S19 PolarHBondContact O-N 3.04Å; L15-S19 PolarHBondContact O-OG 2.84Å
16	L	69.1	Low	74.9	Confident	127 Å²	127	83.9 Å²	83.9	67%	0.665	52%	0.517	S	S	*	.	H	α-helix	trans	-68.2	-35.2	177.9	-71.3	169	0	0	0	113	A12 A13 L14 S19	A12-L16 WeakPolarHBondContact O-CB 3.31Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.48Å; A12-L16 PolarHBondContact O-N 2.95Å; A13-L16 PolarHBondContact O-N 3.47Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 3.22Å; L16-S19 WeakPolarHBondContact CA-OG 3.3Å; L16-S19 PolarHBondContact O-OG 3.46Å
17	L	67.3	Low	75.1	Confident	143 Å²	143	84.6 Å²	84.6	75%	0.749	52%	0.517	S	S	*	.	H	α-helix	trans	-74.7	-32	176.7	-71.1	168.9	0	0	0	111.8	A13 L14	A13-L17 VanDerWaalsContact O-CB 3.28Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 WeakPolarHBondContact O-CD1 3.41Å; A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.08Å; L14-L17 PolarHBondContact O-N 3.46Å
18	T	64.4	Low	75.4	Confident	102 Å²	102	79.1 Å²	79.1	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-86.6	-22.3	176.6	57.6	0	0	0	0	113.3	L14 L15 G20	L14-T18 WeakPolarHBondContact O-CB 3.23Å; L14-T18 VanDerWaalsContact O-CG2 3.31Å; L14-T18 WeakPolarHBondContact O-CG2 3.47Å; L14-T18 PolarHBondContact O-N 3.02Å; L14-T18 PolarHBondContact O-OG1 2.94Å; L15-T18 WeakPolarHBondContact CA-OG1 3.33Å; L15-T18 PolarHBondContact O-N 3.41Å; L15-T18 PolarHBondContact O-OG1 3.19Å; L15-T18 VanDerWaalsContact O-OG1 3.11Å; T18-G20 PolarHBondContact O-N 3.22Å
19	S	60.7	Low	75.6	Confident	65 Å²	65	77.6 Å²	77.6	46%	0.455	48%	0.484	S	S	.	.	S	Bend	trans	-73.3	71.9	160.4	68.9	0	0	0	0	106.5	L15 L16 G21	L15-S19 WeakPolarHBondContact O-CB 3.02Å; L15-S19 PolarHBondContact O-N 3.04Å; L15-S19 PolarHBondContact O-OG 2.84Å; L16-S19 WeakPolarHBondContact CA-OG 3.3Å; L16-S19 PolarHBondContact O-OG 3.46Å; S19-G21 VanDerWaalsContact C-N 3.34Å; S19-G21 PolarHBondContact O-N 3.09Å
20	G	59.2	Low	75.8	Confident	35 Å²	35	76.3 Å²	76.3	36%	0.361	47%	0.474	S	S	.	.			trans	-45	112.8	156.1	0	0	0	0	0	104.8	T18 D22	T18-G20 PolarHBondContact O-N 3.22Å; G20-D22 PolarHBondContact O-N 2.89Å
21	G	58.9	Low	76.3	Confident	56 Å²	56	73.7 Å²	73.7	58%	0.577	46%	0.459	S	S	*	.			trans	-61.7	104.8	-167.3	0	0	0	0	0	107.6	S19 C23	S19-G21 VanDerWaalsContact C-N 3.34Å; S19-G21 PolarHBondContact O-N 3.09Å; G21-C23 PolarHBondContact O-N 3.41Å; G21-C23 PolarHBondContact O-SG 3.43Å; G21-C23 VanDerWaalsContact O-SG 3.41Å
22	D	63.1	Low	76.9	Confident	91 Å²	91	74.7 Å²	74.7	49%	0.487	46%	0.456	S	S	.	.			trans	-60.3	94.3	168.1	177.7	-2.1	0	0	0	105.5	G20 G24 P27	G20-D22 PolarHBondContact O-N 2.89Å; D22-G24 PolarHBondContact O-N 3.4Å; D22-G24 WeakPolarHBondContact OD1-CA 3.27Å; D22-G24 PolarHBondContact OD1-N 2.93Å; D22-P27 VanDerWaalsContact OD1-CD 3.3Å; D22-P27 WeakPolarHBondContact OD1-CD 3.46Å
23	C	72	Confident	77.5	Confident	105 Å²	105	73.8 Å²	73.8	71%	0.709	45%	0.446	S	S	*	.			trans	-70.9	12.3	177.8	-73.1	0	0	0	0	111	G21 I25	G21-C23 PolarHBondContact O-N 3.41Å; G21-C23 PolarHBondContact O-SG 3.43Å; G21-C23 VanDerWaalsContact O-SG 3.41Å; C23-I25 HydrophobicContact CB-CD1 3.87Å; C23-I25 HydrophobicContact CB-CG1 3.87Å; C23-I25 PolarHBondContact O-N 3.45Å
24	G	78.4	Confident	78.4	Confident	36 Å²	36	77.3 Å²	77.3	37%	0.371	45%	0.45	S	S	.	.	S	Bend	trans	72.3	4	-169.3	0	0	0	0	0	112.9	D22 A28	D22-G24 PolarHBondContact O-N 3.4Å; D22-G24 WeakPolarHBondContact OD1-CA 3.27Å; D22-G24 PolarHBondContact OD1-N 2.93Å; G24-A28 WeakPolarHBondContact O-CB 3.34Å; G24-A28 PolarHBondContact O-N 2.73Å; G24-A28 VanDerWaalsContact O-N 3.14Å
25	I	83.2	Confident	79.4	Confident	98 Å²	98	73.3 Å²	73.3	50%	0.503	43%	0.43	S	S	.	.	H	α-helix	trans	-70	-46.3	-175.2	-66.8	174.6	0	0	0	109.7	C23 A28 I29	C23-I25 HydrophobicContact CB-CD1 3.87Å; C23-I25 HydrophobicContact CB-CG1 3.87Å; C23-I25 PolarHBondContact O-N 3.45Å; I25-A28 WeakPolarHBondContact O-CB 3.42Å; I25-A28 PolarHBondContact O-N 3.38Å; I25-I29 HydrophobicContact CG2-CD1 3.6Å; I25-I29 HydrophobicContact CG2-CG1 4.21Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.26Å; I25-I29 PolarHBondContact O-N 3.45Å
26	C	86.9	Confident	80.6	Confident	16 Å²	16	69.8 Å²	69.8	11%	0.108	41%	0.409	C	S	.	.	H	α-helix	trans	-69.2	-42.8	-179.1	-76.8	0	0	0	0	114.3	A28 I29 K30 C93	C26-A28 PolarHBondContact O-N 3.01Å; C26-I29 PolarHBondContact O-N 3.05Å; C26-K30 WeakPolarHBondContact O-CB 3.36Å; C26-K30 PolarHBondContact O-N 2.73Å; C26-C93 HydrophobicContact CB-CB 3.55Å; C26-C93 VanDerWaalsContact CB-OXT 3.3Å; C26-C93 WeakPolarHBondContact CB-OXT 3.16Å; C26-C93 WeakPolarHBondContact CB-SG 3.42Å; C26-C93 VanDerWaalsContact SG-C 3.52Å; C26-C93 WeakPolarHBondContact SG-CA 3.3Å; C26-C93 WeakPolarHBondContact SG-CB 3.48Å; C26-C93 PolarHBondContact SG-OXT 2.59Å; C26-C93 CovalentContact SG-SG 2Å; C26-C93 PolarHBondContact SG-SG 2.91Å
27	P	87.4	Confident	81.9	Confident	65 Å²	65	64.2 Å²	64.2	42%	0.422	38%	0.38	S	S	.	.	H	α-helix	trans	-54.5	-40.1	168.4	-28.3	35.3	0	0	0	113	D22 E31	D22-P27 VanDerWaalsContact OD1-CD 3.3Å; D22-P27 WeakPolarHBondContact OD1-CD 3.46Å; P27-E31 PolarHBondContact O-N 2.96Å; P27-E31 VanDerWaalsContact O-N 3.14Å
28	A	89.5	Confident	83.3	Confident	37 Å²	37	61.7 Å²	61.7	31%	0.306	37%	0.367	S	S	.	.	H	α-helix	trans	-67.3	-46.5	176.7	0	0	0	0	0	112.4	G24 I25 C26 K30 E31 D32 Y47	G24-A28 WeakPolarHBondContact O-CB 3.34Å; G24-A28 PolarHBondContact O-N 2.73Å; G24-A28 VanDerWaalsContact O-N 3.14Å; I25-A28 WeakPolarHBondContact O-CB 3.42Å; I25-A28 PolarHBondContact O-N 3.38Å; C26-A28 PolarHBondContact O-N 3.01Å; A28-K30 VanDerWaalsContact C-N 3.32Å; A28-K30 PolarHBondContact O-N 2.74Å; A28-E31 PolarHBondContact O-N 3.31Å; A28-D32 WeakPolarHBondContact O-CB 3.43Å; A28-D32 PolarHBondContact O-N 3.05Å; A28-Y47 PolarHBondContact O-OH 2.97Å; A28-Y47 VanDerWaalsContact O-OH 3.11Å
29	I	88.3	Confident	84.9	Confident	73 Å²	73	57.6 Å²	57.6	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-42.6	176.5	-69.7	170.8	0	0	0	110.8	I25 C26 E31 D32 V33	I25-I29 HydrophobicContact CG2-CD1 3.6Å; I25-I29 HydrophobicContact CG2-CG1 4.21Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.26Å; I25-I29 PolarHBondContact O-N 3.45Å; C26-I29 PolarHBondContact O-N 3.05Å; I29-E31 VanDerWaalsContact C-N 3.32Å; I29-E31 PolarHBondContact O-N 3.34Å; I29-D32 PolarHBondContact O-N 3.37Å; I29-V33 HydrophobicContact CG2-CG2 4.25Å; I29-V33 WeakPolarHBondContact O-CG2 3.4Å; I29-V33 PolarHBondContact O-N 3.14Å
30	K	89.8	Confident	86.6	Confident	95 Å²	95	58.3 Å²	58.3	41%	0.413	35%	0.347	S	S	.	.	H	α-helix	trans	-56.4	-50.6	176.7	-174.4	-158.9	-161.9	84.4	0	110.6	C26 A28 R34 E88	C26-K30 WeakPolarHBondContact O-CB 3.36Å; C26-K30 PolarHBondContact O-N 2.73Å; A28-K30 VanDerWaalsContact C-N 3.32Å; A28-K30 PolarHBondContact O-N 2.74Å; K30-R34 WeakPolarHBondContact O-CB 3.37Å; K30-R34 PolarHBondContact O-N 3.35Å; K30-E88 VanDerWaalsContact CB-OE1 3.25Å; K30-E88 WeakPolarHBondContact CB-OE1 3.34Å; K30-E88 WeakPolarHBondContact CD-OE1 3.37Å; K30-E88 WeakPolarHBondContact CE-OE1 3.47Å; K30-E88 WeakPolarHBondContact CG-OE1 3.35Å; K30-E88 IonicContact NZ-OE1 2.7Å; K30-E88 PolarHBondContact NZ-OE1 3.48Å; K30-E88 IonicContact NZ-OE2 2.81Å; K30-E88 PolarHBondContact NZ-OE2 3.29Å
31	E	93.5	Very high	88.4	Confident	62 Å²	62	58.2 Å²	58.2	29%	0.29	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-41.2	-176.7	-173.3	62.8	-177.1	0	0	111.8	P27 A28 I29 R34 L35 Y47	P27-E31 PolarHBondContact O-N 2.96Å; P27-E31 VanDerWaalsContact O-N 3.14Å; A28-E31 PolarHBondContact O-N 3.31Å; I29-E31 VanDerWaalsContact C-N 3.32Å; I29-E31 PolarHBondContact O-N 3.34Å; E31-R34 PolarHBondContact O-N 2.73Å; E31-R34 IonicContact OE1-CZ 3.82Å; E31-R34 IonicContact OE1-NE 3.49Å; E31-R34 IonicContact OE1-NH2 3.35Å; E31-R34 PolarHBondContact OE1-NH2 3.4Å; E31-R34 IonicContact OE2-CZ 2.73Å; E31-R34 IonicContact OE2-NE 3.66Å; E31-R34 PolarHBondContact OE2-NE 3.42Å; E31-R34 IonicContact OE2-NH2 2.78Å; E31-R34 PolarHBondContact OE2-NH2 2.93Å; E31-L35 HydrophobicContact CG-CD1 4.08Å; E31-L35 WeakPolarHBondContact O-CB 3.49Å; E31-L35 WeakPolarHBondContact O-CG 3.47Å; E31-L35 PolarHBondContact O-N 3.43Å; E31-Y47 HydrophobicContact CB-CE2 4.25Å; E31-Y47 HydrophobicContact CG-CD2 4.25Å; E31-Y47 HydrophobicContact CG-CE2 3.63Å
32	D	95.1	Very high	90.3	Very high	52 Å²	52	61.9 Å²	61.9	28%	0.278	34%	0.343	S	S	.	.	H	α-helix	trans	-56.9	-53.9	173.9	-179.5	58.6	0	0	0	111	A28 I29 R34 L35 F36 Y44 Y47	A28-D32 WeakPolarHBondContact O-CB 3.43Å; A28-D32 PolarHBondContact O-N 3.05Å; I29-D32 PolarHBondContact O-N 3.37Å; D32-R34 PolarHBondContact O-N 3.41Å; D32-L35 PolarHBondContact O-N 2.66Å; D32-F36 WeakPolarHBondContact O-CB 3.46Å; D32-F36 PolarHBondContact O-N 3.21Å; D32-Y44 WeakPolarHBondContact OD1-CE2 3.45Å; D32-Y44 PolarHBondContact OD1-OH 3.34Å; D32-Y47 HydrophobicContact CB-CE1 3.82Å
33	V	94.6	Very high	92	Very high	28 Å²	28	59.6 Å²	59.6	17%	0.17	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-38.7	-179.4	179.4	0	0	0	0	111.6	I29 L35 F36 L37 I84	I29-V33 HydrophobicContact CG2-CG2 4.25Å; I29-V33 WeakPolarHBondContact O-CG2 3.4Å; I29-V33 PolarHBondContact O-N 3.14Å; V33-L35 PolarHBondContact O-N 3.44Å; V33-F36 PolarHBondContact O-N 2.96Å; V33-L37 HydrophobicContact CG1-CD1 3.48Å; V33-L37 VanDerWaalsContact CG1-CD1 3.48Å; V33-L37 HydrophobicContact CG1-CG 3.9Å; V33-L37 WeakPolarHBondContact O-CB 3.17Å; V33-L37 WeakPolarHBondContact O-CG 3.17Å; V33-L37 PolarHBondContact O-N 3.37Å; V33-I84 HydrophobicContact CB-CG1 4.13Å; V33-I84 HydrophobicContact CG1-CD1 4.45Å; V33-I84 HydrophobicContact CG1-CG1 3.68Å; V33-I84 HydrophobicContact CG2-CD1 4.1Å; V33-I84 HydrophobicContact CG2-CG1 4.1Å
34	R	95.8	Very high	93.3	Very high	114 Å²	114	55.7 Å²	55.7	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-48.4	177.3	-173.9	-169.5	72.8	76.2	-1.5	111.1	K30 E31 D32 N38	K30-R34 WeakPolarHBondContact O-CB 3.37Å; K30-R34 PolarHBondContact O-N 3.35Å; E31-R34 PolarHBondContact O-N 2.73Å; E31-R34 IonicContact OE1-CZ 3.82Å; E31-R34 IonicContact OE1-NE 3.49Å; E31-R34 IonicContact OE1-NH2 3.35Å; E31-R34 PolarHBondContact OE1-NH2 3.4Å; E31-R34 IonicContact OE2-CZ 2.73Å; E31-R34 IonicContact OE2-NE 3.66Å; E31-R34 PolarHBondContact OE2-NE 3.42Å; E31-R34 IonicContact OE2-NH2 2.78Å; E31-R34 PolarHBondContact OE2-NH2 2.93Å; D32-R34 PolarHBondContact O-N 3.41Å; R34-N38 WeakPolarHBondContact O-CB 2.97Å; R34-N38 PolarHBondContact O-N 2.91Å
35	L	97.7	Very high	94.2	Very high	16 Å²	16	55.1 Å²	55.1	8%	0.084	30%	0.296	C	S	.	.	H	α-helix	trans	-70.8	-36.9	178.5	-71.3	169.7	0	0	0	111.9	E31 D32 V33 G39 A43 Y44 Y47 K65	E31-L35 HydrophobicContact CG-CD1 4.08Å; E31-L35 WeakPolarHBondContact O-CB 3.49Å; E31-L35 WeakPolarHBondContact O-CG 3.47Å; E31-L35 PolarHBondContact O-N 3.43Å; D32-L35 PolarHBondContact O-N 2.66Å; V33-L35 PolarHBondContact O-N 3.44Å; L35-G39 WeakPolarHBondContact O-CA 3.44Å; L35-G39 PolarHBondContact O-N 3.16Å; L35-A43 HydrophobicContact CD2-CB 4.39Å; L35-Y44 HydrophobicContact CB-CD2 3.64Å; L35-Y44 HydrophobicContact CB-CE2 4.37Å; L35-Y47 HydrophobicContact CD1-CD1 4.06Å; L35-Y47 HydrophobicContact CD1-CD2 3.52Å; L35-Y47 HydrophobicContact CD1-CE2 4.2Å; L35-Y47 HydrophobicContact CD1-CG 3.42Å; L35-Y47 VanDerWaalsContact CD1-CG 3.42Å; L35-K65 VanDerWaalsContact O-CE 3.3Å; L35-K65 WeakPolarHBondContact O-CE 2.97Å
36	F	97.5	Very high	94.9	Very high	49 Å²	49	55.5 Å²	55.5	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-44.3	178.2	-177.4	-120.6	0	0	0	112.7	D32 V33 Y44 I64 K65 V68	D32-F36 WeakPolarHBondContact O-CB 3.46Å; D32-F36 PolarHBondContact O-N 3.21Å; V33-F36 PolarHBondContact O-N 2.96Å; F36-Y44 HydrophobicContact CB-CD2 4.29Å; F36-Y44 HydrophobicContact CB-CE1 4.29Å; F36-Y44 HydrophobicContact CB-CE2 3.79Å; F36-Y44 AromaticContact CD2-CD1 3.99Å; F36-Y44 HydrophobicContact CD2-CD1 3.99Å; F36-Y44 AromaticContact CD2-CE1 3.37Å; F36-Y44 HydrophobicContact CD2-CE1 3.37Å; F36-Y44 HydrophobicContact CD2-CE2 4.39Å; F36-Y44 AromaticContact CD2-CZ 3.62Å; F36-Y44 HydrophobicContact CE2-CE1 4.08Å; F36-Y44 HydrophobicContact CG-CE1 4.27Å; F36-I64 HydrophobicContact CE2-CG2 3.74Å; F36-I64 HydrophobicContact CZ-CG2 3.83Å; F36-K65 HydrophobicContact CD2-CD 4.18Å; F36-K65 WeakPolarHBondContact O-CD 3.11Å; F36-K65 WeakPolarHBondContact O-CE 2.93Å; F36-V68 HydrophobicContact CE1-CG2 3.79Å; F36-V68 HydrophobicContact CE2-CG2 3.73Å; F36-V68 HydrophobicContact CZ-CB 4.35Å; F36-V68 HydrophobicContact CZ-CG2 3.22Å
37	L	97.2	Very high	95.5	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-82.3	-42.1	-178.7	-63.3	177.9	0	0	0	112.2	V33 L72 R77 A80	V33-L37 HydrophobicContact CG1-CD1 3.48Å; V33-L37 VanDerWaalsContact CG1-CD1 3.48Å; V33-L37 HydrophobicContact CG1-CG 3.9Å; V33-L37 WeakPolarHBondContact O-CB 3.17Å; V33-L37 WeakPolarHBondContact O-CG 3.17Å; V33-L37 PolarHBondContact O-N 3.37Å; L37-L72 HydrophobicContact CD2-CD1 3.96Å; L37-R77 HydrophobicContact CB-CG 4.35Å; L37-R77 WeakPolarHBondContact O-CD 3.27Å; L37-A80 HydrophobicContact CD1-CB 3.64Å; L37-A80 HydrophobicContact CD2-CB 4.44Å
38	N	96.1	Very high	95.9	Very high	91 Å²	91	53.8 Å²	53.8	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-122.4	-7.7	-165.6	-57.6	-51.5	0	0	0	114.4	R34	R34-N38 WeakPolarHBondContact O-CB 2.97Å; R34-N38 PolarHBondContact O-N 2.91Å
39	G	97.1	Very high	96.3	Very high	15 Å²	15	55.4 Å²	55.4	16%	0.155	28%	0.281	C	S	.	.	S	Bend	trans	-79.2	169.1	176.5	0	0	0	0	0	112.7	L35 K65	L35-G39 WeakPolarHBondContact O-CA 3.44Å; L35-G39 PolarHBondContact O-N 3.16Å; G39-K65 VanDerWaalsContact O-CE 3.27Å; G39-K65 WeakPolarHBondContact O-CE 3.39Å; G39-K65 PolarHBondContact O-NZ 3.23Å
40	T	97.7	Very high	96.7	Very high	80 Å²	80	59 Å²	59	49%	0.491	30%	0.297	S	S	.	.			trans	-76.2	162.5	167.8	78.4	0	0	0	0	110.4	E42 A43 Y44	T40-E42 VanDerWaalsContact C-N 3.27Å; T40-E42 WeakPolarHBondContact CB-OE2 3.43Å; T40-E42 PolarHBondContact O-N 3.42Å; T40-E42 PolarHBondContact OG1-OE2 3Å; T40-A43 PolarHBondContact O-N 3.04Å; T40-A43 PolarHBondContact OG1-N 2.93Å; T40-Y44 PolarHBondContact O-N 3.25Å
41	S	97.7	Very high	96.9	Very high	33 Å²	33	61.9 Å²	61.9	23%	0.231	31%	0.306	C	S	.	.	H	α-helix	trans	-57.7	-42.2	176	-172.8	0	0	0	0	112	Y44 V45	S41-Y44 PolarHBondContact O-N 2.97Å; S41-V45 WeakPolarHBondContact O-CB 3.42Å; S41-V45 VanDerWaalsContact O-CG2 3.23Å; S41-V45 WeakPolarHBondContact O-CG2 3.46Å; S41-V45 PolarHBondContact O-N 2.96Å
42	E	98.1	Very high	97.1	Very high	134 Å²	134	64.4 Å²	64.4	63%	0.626	32%	0.316	S	S	*	.	H	α-helix	trans	-65.1	-46	-179.9	-57.2	74.1	-161.2	0	0	111.2	T40 Y44 V45 E46	T40-E42 VanDerWaalsContact C-N 3.27Å; T40-E42 WeakPolarHBondContact CB-OE2 3.43Å; T40-E42 PolarHBondContact O-N 3.42Å; T40-E42 PolarHBondContact OG1-OE2 3Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.19Å; E42-V45 PolarHBondContact O-N 2.9Å; E42-E46 WeakPolarHBondContact O-CB 3.46Å; E42-E46 WeakPolarHBondContact O-CG 3.42Å; E42-E46 PolarHBondContact O-N 3.32Å
43	A	98.4	Very high	97.2	Very high	42 Å²	42	67.4 Å²	67.4	35%	0.347	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-40.3	179.6	0	0	0	0	0	111.8	L35 T40 Y47	L35-A43 HydrophobicContact CD2-CB 4.39Å; T40-A43 PolarHBondContact O-N 3.04Å; T40-A43 PolarHBondContact OG1-N 2.93Å; A43-Y47 WeakPolarHBondContact O-CB 3.19Å; A43-Y47 PolarHBondContact O-N 3.27Å
44	Y	98.5	Very high	97.4	Very high	23 Å²	23	68.6 Å²	68.6	9%	0.09	34%	0.337	C	S	.	.	H	α-helix	trans	-70.8	-41.2	178.8	-172	-123	0	0	0	112.6	D32 L35 F36 T40 S41 E42 Y47 V48 T61 K65	D32-Y44 WeakPolarHBondContact OD1-CE2 3.45Å; D32-Y44 PolarHBondContact OD1-OH 3.34Å; L35-Y44 HydrophobicContact CB-CD2 3.64Å; L35-Y44 HydrophobicContact CB-CE2 4.37Å; F36-Y44 HydrophobicContact CB-CD2 4.29Å; F36-Y44 HydrophobicContact CB-CE1 4.29Å; F36-Y44 HydrophobicContact CB-CE2 3.79Å; F36-Y44 AromaticContact CD2-CD1 3.99Å; F36-Y44 HydrophobicContact CD2-CD1 3.99Å; F36-Y44 AromaticContact CD2-CE1 3.37Å; F36-Y44 HydrophobicContact CD2-CE1 3.37Å; F36-Y44 HydrophobicContact CD2-CE2 4.39Å; F36-Y44 AromaticContact CD2-CZ 3.62Å; F36-Y44 HydrophobicContact CE2-CE1 4.08Å; F36-Y44 HydrophobicContact CG-CE1 4.27Å; T40-Y44 PolarHBondContact O-N 3.25Å; S41-Y44 PolarHBondContact O-N 2.97Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.19Å; Y44-Y47 HydrophobicContact CD2-CD1 4.43Å; Y44-Y47 HydrophobicContact CE2-CD1 4.29Å; Y44-Y47 WeakPolarHBondContact O-CB 3.43Å; Y44-Y47 PolarHBondContact O-N 2.79Å; Y44-V48 HydrophobicContact CD2-CG2 4.49Å; Y44-V48 HydrophobicContact CE1-CG2 4.18Å; Y44-V48 HydrophobicContact CE2-CG2 4.08Å; Y44-V48 WeakPolarHBondContact O-CG2 3.39Å; Y44-V48 PolarHBondContact O-N 2.82Å; Y44-T61 HydrophobicContact CD1-CG2 3.62Å; Y44-T61 HydrophobicContact CE1-CG2 3.63Å; Y44-K65 HydrophobicContact CD1-CB 4.14Å; Y44-K65 HydrophobicContact CD1-CD 4.05Å; Y44-K65 HydrophobicContact CD1-CG 4.2Å; Y44-K65 HydrophobicContact CG-CD 4.39Å
45	V	98.4	Very high	97.5	Very high	25 Å²	25	68 Å²	68	15%	0.152	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-44.3	176.4	171.6	0	0	0	0	111.3	S41 E42 Y47 V48 K49 L58 T61 A62	S41-V45 WeakPolarHBondContact O-CB 3.42Å; S41-V45 VanDerWaalsContact O-CG2 3.23Å; S41-V45 WeakPolarHBondContact O-CG2 3.46Å; S41-V45 PolarHBondContact O-N 2.96Å; E42-V45 PolarHBondContact O-N 2.9Å; V45-Y47 VanDerWaalsContact C-N 3.29Å; V45-Y47 PolarHBondContact O-N 2.89Å; V45-V48 PolarHBondContact O-N 3.22Å; V45-K49 WeakPolarHBondContact O-CB 3.42Å; V45-K49 PolarHBondContact O-N 3.23Å; V45-L58 HydrophobicContact CG1-CB 4.23Å; V45-L58 HydrophobicContact CG1-CD2 4.15Å; V45-T61 HydrophobicContact CG2-CG2 3.94Å; V45-A62 HydrophobicContact CG2-CB 3.91Å
46	E	98.4	Very high	97.5	Very high	105 Å²	105	71.4 Å²	71.4	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-31.3	176.3	-75.6	-62.9	134.4	0	0	112.7	E42 K49 Q50	E42-E46 WeakPolarHBondContact O-CB 3.46Å; E42-E46 WeakPolarHBondContact O-CG 3.42Å; E42-E46 PolarHBondContact O-N 3.32Å; E46-K49 IonicContact OE1-NZ 2.59Å; E46-Q50 PolarHBondContact O-NE2 3.27Å
47	Y	98.1	Very high	97.5	Very high	24 Å²	24	71.2 Å²	71.2	9%	0.094	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-51.6	171.2	173.7	-96.4	0	0	0	111.7	A28 E31 D32 L35 A43 Y44 V45 K49 Q50 Y51	A28-Y47 PolarHBondContact O-OH 2.97Å; A28-Y47 VanDerWaalsContact O-OH 3.11Å; E31-Y47 HydrophobicContact CB-CE2 4.25Å; E31-Y47 HydrophobicContact CG-CD2 4.25Å; E31-Y47 HydrophobicContact CG-CE2 3.63Å; D32-Y47 HydrophobicContact CB-CE1 3.82Å; L35-Y47 HydrophobicContact CD1-CD1 4.06Å; L35-Y47 HydrophobicContact CD1-CD2 3.52Å; L35-Y47 HydrophobicContact CD1-CE2 4.2Å; L35-Y47 HydrophobicContact CD1-CG 3.42Å; L35-Y47 VanDerWaalsContact CD1-CG 3.42Å; A43-Y47 WeakPolarHBondContact O-CB 3.19Å; A43-Y47 PolarHBondContact O-N 3.27Å; Y44-Y47 HydrophobicContact CD2-CD1 4.43Å; Y44-Y47 HydrophobicContact CE2-CD1 4.29Å; Y44-Y47 WeakPolarHBondContact O-CB 3.43Å; Y44-Y47 PolarHBondContact O-N 2.79Å; V45-Y47 VanDerWaalsContact C-N 3.29Å; V45-Y47 PolarHBondContact O-N 2.89Å; Y47-K49 VanDerWaalsContact C-N 3.27Å; Y47-K49 PolarHBondContact O-N 3.48Å; Y47-Q50 WeakPolarHBondContact O-CB 3.34Å; Y47-Q50 PolarHBondContact O-N 3.47Å; Y47-Y51 HydrophobicContact CD1-CE2 4.43Å; Y47-Y51 HydrophobicContact CD2-CE2 4.42Å; Y47-Y51 AromaticContact CE1-CE2 3.91Å; Y47-Y51 HydrophobicContact CE1-CE2 3.91Å; Y47-Y51 AromaticContact CE2-CE2 3.93Å; Y47-Y51 HydrophobicContact CE2-CE2 3.93Å; Y47-Y51 AromaticContact CZ-CE2 3.65Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.36Å
48	V	97.5	Very high	97.6	Very high	22 Å²	22	72 Å²	72	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-61.6	-37.1	179.5	173	0	0	0	0	111.7	Y44 V45 Q50 Y51 K52 T57 L58 T61	Y44-V48 HydrophobicContact CD2-CG2 4.49Å; Y44-V48 HydrophobicContact CE1-CG2 4.18Å; Y44-V48 HydrophobicContact CE2-CG2 4.08Å; Y44-V48 WeakPolarHBondContact O-CG2 3.39Å; Y44-V48 PolarHBondContact O-N 2.82Å; V45-V48 PolarHBondContact O-N 3.22Å; V48-Q50 PolarHBondContact O-N 2.67Å; V48-Y51 PolarHBondContact O-N 2.9Å; V48-K52 PolarHBondContact O-N 3.24Å; V48-T57 HydrophobicContact CG1-CG2 4.31Å; V48-L58 HydrophobicContact CG1-CD2 4.37Å; V48-T61 HydrophobicContact CB-CG2 4.17Å; V48-T61 HydrophobicContact CG1-CG2 4.5Å; V48-T61 HydrophobicContact CG2-CG2 3.83Å
49	K	98	Very high	97.7	Very high	71 Å²	71	72.8 Å²	72.8	31%	0.309	38%	0.377	S	S	.	.	H	α-helix	trans	-56.1	-33	178.4	-175.4	175.8	179.3	-175.6	0	113.9	V45 E46 Y47 Y51 K52 D53 L58	V45-K49 WeakPolarHBondContact O-CB 3.42Å; V45-K49 PolarHBondContact O-N 3.23Å; E46-K49 IonicContact OE1-NZ 2.59Å; Y47-K49 VanDerWaalsContact C-N 3.27Å; Y47-K49 PolarHBondContact O-N 3.48Å; K49-Y51 PolarHBondContact O-N 2.95Å; K49-K52 CarbonylContact O-C 3.46Å; K49-K52 PolarHBondContact O-N 2.74Å; K49-D53 VanDerWaalsContact CE-CG 3.5Å; K49-D53 VanDerWaalsContact CE-OD1 3.3Å; K49-D53 WeakPolarHBondContact CE-OD1 3.18Å; K49-D53 WeakPolarHBondContact CE-OD2 3.46Å; K49-D53 HydrophobicContact CG-CB 3.94Å; K49-D53 PolarHBondContact O-N 3.42Å; K49-L58 HydrophobicContact CB-CD1 4.24Å; K49-L58 HydrophobicContact CB-CD2 3.8Å; K49-L58 HydrophobicContact CD-CD1 4.06Å; K49-L58 HydrophobicContact CG-CD1 4Å; K49-L58 HydrophobicContact CG-CD2 4.41Å
50	Q	96.1	Very high	97.8	Very high	149 Å²	149	75.5 Å²	75.5	70%	0.696	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.3	177.3	-65.9	169.1	52.2	0	0	112.6	E46 Y47 V48	E46-Q50 PolarHBondContact O-NE2 3.27Å; Y47-Q50 WeakPolarHBondContact O-CB 3.34Å; Y47-Q50 PolarHBondContact O-N 3.47Å; V48-Q50 PolarHBondContact O-N 2.67Å
51	Y	94.2	Very high	97.8	Very high	155 Å²	155	72.5 Å²	72.5	61%	0.608	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-34.2	176.8	-58	-82.2	0	0	0	112.2	Y47 V48 K49	Y47-Y51 HydrophobicContact CD1-CE2 4.43Å; Y47-Y51 HydrophobicContact CD2-CE2 4.42Å; Y47-Y51 AromaticContact CE1-CE2 3.91Å; Y47-Y51 HydrophobicContact CE1-CE2 3.91Å; Y47-Y51 AromaticContact CE2-CE2 3.93Å; Y47-Y51 HydrophobicContact CE2-CE2 3.93Å; Y47-Y51 AromaticContact CZ-CE2 3.65Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.36Å; V48-Y51 PolarHBondContact O-N 2.9Å; K49-Y51 PolarHBondContact O-N 2.95Å
52	K	96.3	Very high	97.8	Very high	115 Å²	115	72.4 Å²	72.4	50%	0.5	37%	0.371	S	S	.	.			trans	-148.5	90.8	-176.7	-171	62.8	172.2	174	0	111.9	V48 K49 D54 T57	V48-K52 PolarHBondContact O-N 3.24Å; K49-K52 CarbonylContact O-C 3.46Å; K49-K52 PolarHBondContact O-N 2.74Å; K52-D54 VanDerWaalsContact C-N 3.27Å; K52-D54 HydrophobicContact CD-CB 4.14Å; K52-D54 HydrophobicContact CG-CB 3.98Å; K52-D54 PolarHBondContact O-N 3.21Å; K52-T57 HydrophobicContact CB-CG2 4.29Å; K52-T57 HydrophobicContact CG-CG2 3.9Å
53	D	97.9	Very high	97.8	Very high	115 Å²	115	71 Å²	71	62%	0.615	36%	0.363	S	S	*	.			trans	-82.1	73.3	170.9	-163.1	6.8	0	0	0	110.6	K49	K49-D53 VanDerWaalsContact CE-CG 3.5Å; K49-D53 VanDerWaalsContact CE-OD1 3.3Å; K49-D53 WeakPolarHBondContact CE-OD1 3.18Å; K49-D53 WeakPolarHBondContact CE-OD2 3.46Å; K49-D53 HydrophobicContact CG-CB 3.94Å; K49-D53 PolarHBondContact O-N 3.42Å
54	D	98.1	Very high	97.8	Very high	52 Å²	52	73.4 Å²	73.4	28%	0.278	37%	0.369	S	S	.	.			trans	-126.5	125.1	177.5	168	71.5	0	0	0	109.7	K52 V56 T57 L58	K52-D54 VanDerWaalsContact C-N 3.27Å; K52-D54 HydrophobicContact CD-CB 4.14Å; K52-D54 HydrophobicContact CG-CB 3.98Å; K52-D54 PolarHBondContact O-N 3.21Å; D54-V56 VanDerWaalsContact C-N 3.29Å; D54-V56 PolarHBondContact O-N 2.91Å; D54-V56 PolarHBondContact OD2-N 3.35Å; D54-T57 WeakPolarHBondContact O-CB 3.45Å; D54-T57 PolarHBondContact O-N 3.42Å; D54-T57 VanDerWaalsContact O-N 3.07Å; D54-T57 WeakPolarHBondContact OD2-CB 3.45Å; D54-T57 PolarHBondContact OD2-N 2.89Å; D54-T57 PolarHBondContact OD2-OG1 3.11Å; D54-L58 WeakPolarHBondContact O-CG 3.31Å; D54-L58 PolarHBondContact O-N 2.89Å
55	P	98.1	Very high	97.8	Very high	102 Å²	102	72.3 Å²	72.3	66%	0.662	37%	0.365	S	S	*	.	H	α-helix	trans	-55.8	-39.6	-173.2	-28.2	34.8	0	0	0	114.4	L58 E59	P55-L58 PolarHBondContact O-N 2.9Å; P55-E59 WeakPolarHBondContact O-CB 3.34Å; P55-E59 PolarHBondContact O-N 3.34Å
56	V	98.3	Very high	97.8	Very high	88 Å²	88	77.5 Å²	77.5	53%	0.533	39%	0.387	S	S	.	.	H	α-helix	trans	-69.5	-40.6	-179.1	179.2	0	0	0	0	110.4	D54 N60	D54-V56 VanDerWaalsContact C-N 3.29Å; D54-V56 PolarHBondContact O-N 2.91Å; D54-V56 PolarHBondContact OD2-N 3.35Å; V56-N60 WeakPolarHBondContact O-CB 3.49Å; V56-N60 VanDerWaalsContact O-CG 3.28Å; V56-N60 PolarHBondContact O-N 3.1Å; V56-N60 VanDerWaalsContact O-N 3.08Å; V56-N60 PolarHBondContact O-ND2 2.99Å; V56-N60 VanDerWaalsContact O-ND2 3.15Å
57	T	98	Very high	97.8	Very high	45 Å²	45	76 Å²	76	28%	0.276	39%	0.388	S	S	.	.	H	α-helix	trans	-60.6	-51.4	174.7	-57.1	0	0	0	0	110.6	V48 K52 D54 E59 N60 T61	V48-T57 HydrophobicContact CG1-CG2 4.31Å; K52-T57 HydrophobicContact CB-CG2 4.29Å; K52-T57 HydrophobicContact CG-CG2 3.9Å; D54-T57 WeakPolarHBondContact O-CB 3.45Å; D54-T57 PolarHBondContact O-N 3.42Å; D54-T57 VanDerWaalsContact O-N 3.07Å; D54-T57 WeakPolarHBondContact OD2-CB 3.45Å; D54-T57 PolarHBondContact OD2-N 2.89Å; D54-T57 PolarHBondContact OD2-OG1 3.11Å; T57-E59 PolarHBondContact O-N 3.05Å; T57-N60 PolarHBondContact O-N 3.21Å; T57-T61 PolarHBondContact O-N 3.39Å; T57-T61 PolarHBondContact O-OG1 3.48Å; T57-T61 VanDerWaalsContact O-OG1 3.04Å
58	L	98.6	Very high	97.7	Very high	25 Å²	25	75.6 Å²	75.6	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-65.9	-38.6	-177.3	-60.9	-177.4	0	0	0	112.9	V45 V48 K49 D54 P55 T61 A62	V45-L58 HydrophobicContact CG1-CB 4.23Å; V45-L58 HydrophobicContact CG1-CD2 4.15Å; V48-L58 HydrophobicContact CG1-CD2 4.37Å; K49-L58 HydrophobicContact CB-CD1 4.24Å; K49-L58 HydrophobicContact CB-CD2 3.8Å; K49-L58 HydrophobicContact CD-CD1 4.06Å; K49-L58 HydrophobicContact CG-CD1 4Å; K49-L58 HydrophobicContact CG-CD2 4.41Å; D54-L58 WeakPolarHBondContact O-CG 3.31Å; D54-L58 PolarHBondContact O-N 2.89Å; P55-L58 PolarHBondContact O-N 2.9Å; L58-T61 PolarHBondContact O-N 3.35Å; L58-A62 PolarHBondContact O-N 2.78Å
59	E	98.3	Very high	97.7	Very high	108 Å²	108	77.8 Å²	77.8	51%	0.505	40%	0.399	S	S	.	.	H	α-helix	trans	-61.3	-44.8	173.8	-174.5	-173.2	164.4	0	0	111.2	P55 T57 A62 K63	P55-E59 WeakPolarHBondContact O-CB 3.34Å; P55-E59 PolarHBondContact O-N 3.34Å; T57-E59 PolarHBondContact O-N 3.05Å; E59-A62 PolarHBondContact O-N 3.44Å; E59-K63 WeakPolarHBondContact O-CG 3.46Å; E59-K63 PolarHBondContact O-N 3.25Å; E59-K63 VanDerWaalsContact O-N 3.09Å; E59-K63 VanDerWaalsContact OE1-CE 3.25Å; E59-K63 WeakPolarHBondContact OE1-CE 3.07Å; E59-K63 IonicContact OE1-NZ 2.63Å; E59-K63 PolarHBondContact OE1-NZ 3.14Å
60	N	98.3	Very high	97.7	Very high	73 Å²	73	78.9 Å²	78.9	39%	0.39	42%	0.415	S	S	.	.	H	α-helix	trans	-68.5	-39.2	178.3	-73.1	-28	0	0	0	112.1	V56 T57 A62 K63 I64	V56-N60 WeakPolarHBondContact O-CB 3.49Å; V56-N60 VanDerWaalsContact O-CG 3.28Å; V56-N60 PolarHBondContact O-N 3.1Å; V56-N60 VanDerWaalsContact O-N 3.08Å; V56-N60 PolarHBondContact O-ND2 2.99Å; V56-N60 VanDerWaalsContact O-ND2 3.15Å; T57-N60 PolarHBondContact O-N 3.21Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 3.44Å; N60-K63 PolarHBondContact O-N 2.97Å; N60-I64 VanDerWaalsContact O-CG1 3.26Å; N60-I64 WeakPolarHBondContact O-CG1 3.25Å; N60-I64 PolarHBondContact O-N 3.44Å
61	T	98.3	Very high	97.8	Very high	16 Å²	16	76.1 Å²	76.1	10%	0.098	41%	0.409	C	S	.	.	H	α-helix	trans	-56.1	-47.7	173.3	-65.8	0	0	0	0	110.9	Y44 V45 V48 T57 L58 K63 I64 K65	Y44-T61 HydrophobicContact CD1-CG2 3.62Å; Y44-T61 HydrophobicContact CE1-CG2 3.63Å; V45-T61 HydrophobicContact CG2-CG2 3.94Å; V48-T61 HydrophobicContact CB-CG2 4.17Å; V48-T61 HydrophobicContact CG1-CG2 4.5Å; V48-T61 HydrophobicContact CG2-CG2 3.83Å; T57-T61 PolarHBondContact O-N 3.39Å; T57-T61 PolarHBondContact O-OG1 3.48Å; T57-T61 VanDerWaalsContact O-OG1 3.04Å; L58-T61 PolarHBondContact O-N 3.35Å; T61-K63 PolarHBondContact O-N 3.28Å; T61-I64 PolarHBondContact O-N 2.84Å; T61-K65 VanDerWaalsContact O-CB 3.31Å; T61-K65 WeakPolarHBondContact O-CB 3.38Å; T61-K65 PolarHBondContact O-N 3.28Å
62	A	98.5	Very high	98	Very high	32 Å²	32	71.4 Å²	71.4	26%	0.264	39%	0.394	S	S	.	.	H	α-helix	trans	-60.5	-44.2	177.1	0	0	0	0	0	112.1	V45 L58 E59 N60 K65 Q66	V45-A62 HydrophobicContact CG2-CB 3.91Å; L58-A62 PolarHBondContact O-N 2.78Å; E59-A62 PolarHBondContact O-N 3.44Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 3.44Å; A62-K65 PolarHBondContact O-N 3.42Å; A62-Q66 WeakPolarHBondContact O-CB 3.42Å; A62-Q66 PolarHBondContact O-N 2.84Å
63	K	98.4	Very high	98	Very high	103 Å²	103	69.4 Å²	69.4	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-63.4	-44.3	177.9	-72.3	173.3	-175.6	167.9	0	112.9	E59 N60 T61 K65 Q66 C67	E59-K63 WeakPolarHBondContact O-CG 3.46Å; E59-K63 PolarHBondContact O-N 3.25Å; E59-K63 VanDerWaalsContact O-N 3.09Å; E59-K63 VanDerWaalsContact OE1-CE 3.25Å; E59-K63 WeakPolarHBondContact OE1-CE 3.07Å; E59-K63 IonicContact OE1-NZ 2.63Å; E59-K63 PolarHBondContact OE1-NZ 3.14Å; N60-K63 PolarHBondContact O-N 2.97Å; T61-K63 PolarHBondContact O-N 3.28Å; K63-K65 VanDerWaalsContact C-N 3.35Å; K63-Q66 PolarHBondContact O-N 3.26Å; K63-C67 PolarHBondContact O-N 2.7Å
64	I	98.1	Very high	97.9	Very high	93 Å²	93	71.3 Å²	71.3	48%	0.477	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-44	178.8	-65.1	166.4	0	0	0	109.5	F36 N60 T61 Q66 C67 V68	F36-I64 HydrophobicContact CE2-CG2 3.74Å; F36-I64 HydrophobicContact CZ-CG2 3.83Å; N60-I64 VanDerWaalsContact O-CG1 3.26Å; N60-I64 WeakPolarHBondContact O-CG1 3.25Å; N60-I64 PolarHBondContact O-N 3.44Å; T61-I64 PolarHBondContact O-N 2.84Å; I64-Q66 VanDerWaalsContact C-N 3.34Å; I64-Q66 PolarHBondContact O-N 3.14Å; I64-C67 WeakPolarHBondContact O-CB 3.44Å; I64-C67 PolarHBondContact O-N 3.25Å; I64-C67 VanDerWaalsContact O-N 3.14Å; I64-V68 VanDerWaalsContact O-CG2 3.32Å; I64-V68 WeakPolarHBondContact O-CG2 3.06Å; I64-V68 PolarHBondContact O-N 2Å
65	K	98.1	Very high	97.9	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-60.7	-43.4	176.8	-174	57.8	171.3	80.8	0	112	L35 F36 G39 Y44 T61 A62 K63 C67 V68 D69	L35-K65 VanDerWaalsContact O-CE 3.3Å; L35-K65 WeakPolarHBondContact O-CE 2.97Å; F36-K65 HydrophobicContact CD2-CD 4.18Å; F36-K65 WeakPolarHBondContact O-CD 3.11Å; F36-K65 WeakPolarHBondContact O-CE 2.93Å; G39-K65 VanDerWaalsContact O-CE 3.27Å; G39-K65 WeakPolarHBondContact O-CE 3.39Å; G39-K65 PolarHBondContact O-NZ 3.23Å; Y44-K65 HydrophobicContact CD1-CB 4.14Å; Y44-K65 HydrophobicContact CD1-CD 4.05Å; Y44-K65 HydrophobicContact CD1-CG 4.2Å; Y44-K65 HydrophobicContact CG-CD 4.39Å; T61-K65 VanDerWaalsContact O-CB 3.31Å; T61-K65 WeakPolarHBondContact O-CB 3.38Å; T61-K65 PolarHBondContact O-N 3.28Å; A62-K65 PolarHBondContact O-N 3.42Å; K63-K65 VanDerWaalsContact C-N 3.35Å; K65-C67 VanDerWaalsContact C-N 3.3Å; K65-C67 PolarHBondContact O-N 3.24Å; K65-V68 WeakPolarHBondContact O-CB 3.44Å; K65-V68 PolarHBondContact O-N 3.42Å; K65-D69 IonicContact NZ-OD1 3.57Å; K65-D69 PolarHBondContact NZ-OD1 3.48Å; K65-D69 IonicContact NZ-OD2 2.67Å; K65-D69 PolarHBondContact NZ-OD2 2.88Å; K65-D69 VanDerWaalsContact O-CG 3.28Å; K65-D69 PolarHBondContact O-N 3.3Å
66	Q	98.2	Very high	97.9	Very high	134 Å²	134	73.4 Å²	73.4	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-58	-42.9	173.7	-177	-177.2	4.8	0	0	112	A62 K63 I64 D69 S70	A62-Q66 WeakPolarHBondContact O-CB 3.42Å; A62-Q66 PolarHBondContact O-N 2.84Å; K63-Q66 PolarHBondContact O-N 3.26Å; I64-Q66 VanDerWaalsContact C-N 3.34Å; I64-Q66 PolarHBondContact O-N 3.14Å; Q66-D69 PolarHBondContact O-N 2.81Å; Q66-S70 WeakPolarHBondContact O-CB 3.3Å; Q66-S70 PolarHBondContact O-N 3.03Å; Q66-S70 PolarHBondContact O-OG 2.9Å
67	C	97.7	Very high	97.8	Very high	73 Å²	73	71.4 Å²	71.4	49%	0.493	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-43.7	177	-177.3	0	0	0	0	111.8	K63 I64 K65 S70 T71	K63-C67 PolarHBondContact O-N 2.7Å; I64-C67 WeakPolarHBondContact O-CB 3.44Å; I64-C67 PolarHBondContact O-N 3.25Å; I64-C67 VanDerWaalsContact O-N 3.14Å; K65-C67 VanDerWaalsContact C-N 3.3Å; K65-C67 PolarHBondContact O-N 3.24Å; C67-S70 PolarHBondContact O-N 3.26Å; C67-S70 PolarHBondContact O-OG 3.14Å; C67-S70 VanDerWaalsContact O-OG 3.09Å; C67-T71 WeakPolarHBondContact O-CB 3.3Å; C67-T71 PolarHBondContact O-N 3.3Å; C67-T71 PolarHBondContact O-OG1 2.84Å
68	V	97.4	Very high	97.7	Very high	16 Å²	16	71.6 Å²	71.6	10%	0.097	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-46.5	177.1	169.8	0	0	0	0	110.7	F36 I64 K65 S70 T71 L72	F36-V68 HydrophobicContact CE1-CG2 3.79Å; F36-V68 HydrophobicContact CE2-CG2 3.73Å; F36-V68 HydrophobicContact CZ-CB 4.35Å; F36-V68 HydrophobicContact CZ-CG2 3.22Å; I64-V68 VanDerWaalsContact O-CG2 3.32Å; I64-V68 WeakPolarHBondContact O-CG2 3.06Å; I64-V68 PolarHBondContact O-N 2Å; K65-V68 WeakPolarHBondContact O-CB 3.44Å; K65-V68 PolarHBondContact O-N 3.42Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.38Å; V68-T71 PolarHBondContact O-N 3Å; V68-L72 HydrophobicContact CG1-CD1 3.8Å; V68-L72 HydrophobicContact CG1-CG 4.13Å; V68-L72 WeakPolarHBondContact O-CB 3.21Å; V68-L72 PolarHBondContact O-N 3.1Å
69	D	97.6	Very high	97.6	Very high	69 Å²	69	75.9 Å²	75.9	37%	0.369	41%	0.406	S	S	.	.	H	α-helix	trans	-65.9	-33.8	-179.2	-69.6	-18.3	0	0	0	112.8	K65 Q66	K65-D69 IonicContact NZ-OD1 3.57Å; K65-D69 PolarHBondContact NZ-OD1 3.48Å; K65-D69 IonicContact NZ-OD2 2.67Å; K65-D69 PolarHBondContact NZ-OD2 2.88Å; K65-D69 VanDerWaalsContact O-CG 3.28Å; K65-D69 PolarHBondContact O-N 3.3Å; Q66-D69 PolarHBondContact O-N 2.81Å
70	S	97.5	Very high	97.4	Very high	94 Å²	94	72.3 Å²	72.3	66%	0.657	40%	0.396	S	S	*	.	H	α-helix	trans	-82.5	-18.9	178.5	68.1	0	0	0	0	114.1	Q66 C67 V68	Q66-S70 WeakPolarHBondContact O-CB 3.3Å; Q66-S70 PolarHBondContact O-N 3.03Å; Q66-S70 PolarHBondContact O-OG 2.9Å; C67-S70 PolarHBondContact O-N 3.26Å; C67-S70 PolarHBondContact O-OG 3.14Å; C67-S70 VanDerWaalsContact O-OG 3.09Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.38Å
71	T	97.9	Very high	97.1	Very high	90 Å²	90	70.8 Å²	70.8	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-113.4	-44.2	-167.8	-50.4	0	0	0	0	112.8	C67 V68	C67-T71 WeakPolarHBondContact O-CB 3.3Å; C67-T71 PolarHBondContact O-N 3.3Å; C67-T71 PolarHBondContact O-OG1 2.84Å; V68-T71 PolarHBondContact O-N 3Å
72	L	97.4	Very high	96.9	Very high	56 Å²	56	73 Å²	73	29%	0.293	40%	0.403	S	S	.	.			trans	-75.4	133	-176.4	-62.9	-165.7	0	0	0	110.4	L37 V68 D76 R77	L37-L72 HydrophobicContact CD2-CD1 3.96Å; V68-L72 HydrophobicContact CG1-CD1 3.8Å; V68-L72 HydrophobicContact CG1-CG 4.13Å; V68-L72 WeakPolarHBondContact O-CB 3.21Å; V68-L72 PolarHBondContact O-N 3.1Å; L72-D76 HydrophobicContact CB-CB 4.16Å; L72-D76 HydrophobicContact CD2-CB 4.14Å; L72-R77 HydrophobicContact CB-CG 4.16Å; L72-R77 HydrophobicContact CD1-CG 4.39Å; L72-R77 PolarHBondContact O-NH1 2.78Å
73	T	97.5	Very high	96.6	Very high	73 Å²	73	77.5 Å²	77.5	45%	0.448	42%	0.416	S	S	.	.			trans	-76.3	169.6	169.6	67.6	0	0	0	0	110.6	E75 D76 R77	T73-E75 PolarHBondContact O-N 3.41Å; T73-E75 PolarHBondContact OG1-N 3.01Å; T73-D76 WeakPolarHBondContact CB-OD2 2.99Å; T73-D76 PolarHBondContact N-OD2 3.28Å; T73-D76 PolarHBondContact O-N 2.99Å; T73-D76 PolarHBondContact OG1-N 3.23Å; T73-D76 VanDerWaalsContact OG1-N 3.14Å; T73-D76 PolarHBondContact OG1-OD2 2.86Å; T73-R77 WeakPolarHBondContact O-CG 3.31Å; T73-R77 PolarHBondContact O-N 3.42Å; T73-R77 VanDerWaalsContact O-N 3.16Å
74	E	96.2	Very high	96.2	Very high	156 Å²	156	73.8 Å²	73.8	73%	0.729	40%	0.401	S	S	*	.	H	α-helix	trans	-60.8	-35.7	171.2	-68.5	-177.2	148.9	0	0	111.9	R77 A78	E74-R77 PolarHBondContact O-N 2.81Å; E74-A78 WeakPolarHBondContact O-CB 3.4Å; E74-A78 PolarHBondContact O-N 2.83Å
75	E	97.2	Very high	95.9	Very high	127 Å²	127	74.5 Å²	74.5	59%	0.593	40%	0.402	S	S	*	.	H	α-helix	trans	-65.1	-44.8	177	-176.3	176.7	178.1	0	0	111.5	T73 R77 A78 H79	T73-E75 PolarHBondContact O-N 3.41Å; T73-E75 PolarHBondContact OG1-N 3.01Å; E75-R77 VanDerWaalsContact C-N 3.32Å; E75-R77 PolarHBondContact O-N 3.01Å; E75-A78 PolarHBondContact O-N 3.24Å; E75-H79 VanDerWaalsContact CG-CE1 3.46Å; E75-H79 WeakPolarHBondContact CG-CE1 3.44Å; E75-H79 PolarHBondContact O-N 2.76Å; E75-H79 IonicContact OE1-CE1 3.35Å; E75-H79 PolarHBondContact OE1-CE1 2.81Å
76	D	97.9	Very high	95.5	Very high	70 Å²	70	81.6 Å²	81.6	37%	0.374	43%	0.433	S	S	.	.	H	α-helix	trans	-60.3	-43.3	177	-61.7	-50	0	0	0	111.6	L72 T73 H79 A80	L72-D76 HydrophobicContact CB-CB 4.16Å; L72-D76 HydrophobicContact CD2-CB 4.14Å; T73-D76 WeakPolarHBondContact CB-OD2 2.99Å; T73-D76 PolarHBondContact N-OD2 3.28Å; T73-D76 PolarHBondContact O-N 2.99Å; T73-D76 PolarHBondContact OG1-N 3.23Å; T73-D76 VanDerWaalsContact OG1-N 3.14Å; T73-D76 PolarHBondContact OG1-OD2 2.86Å; D76-H79 PolarHBondContact O-N 2.89Å; D76-A80 WeakPolarHBondContact O-CB 3.38Å; D76-A80 PolarHBondContact O-N 3.11Å
77	R	96.5	Very high	94.9	Very high	46 Å²	46	78.6 Å²	78.6	17%	0.174	42%	0.421	C	S	.	.	H	α-helix	trans	-64.2	-40.9	176.8	-71.9	-170.8	-72.3	-87.4	-0.5	112	L37 L72 T73 E74 E75 A80 T81	L37-R77 HydrophobicContact CB-CG 4.35Å; L37-R77 WeakPolarHBondContact O-CD 3.27Å; L72-R77 HydrophobicContact CB-CG 4.16Å; L72-R77 HydrophobicContact CD1-CG 4.39Å; L72-R77 PolarHBondContact O-NH1 2.78Å; T73-R77 WeakPolarHBondContact O-CG 3.31Å; T73-R77 PolarHBondContact O-N 3.42Å; T73-R77 VanDerWaalsContact O-N 3.16Å; E74-R77 PolarHBondContact O-N 2.81Å; E75-R77 VanDerWaalsContact C-N 3.32Å; E75-R77 PolarHBondContact O-N 3.01Å; R77-A80 PolarHBondContact O-N 2.88Å; R77-T81 WeakPolarHBondContact O-CB 3.36Å; R77-T81 PolarHBondContact O-N 2.92Å; R77-T81 PolarHBondContact O-OG1 3.22Å
78	A	95.7	Very high	94.3	Very high	50 Å²	50	77.7 Å²	77.7	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-46.1	176.7	0	0	0	0	0	111.2	E74 E75 A80 T81 T82	E74-A78 WeakPolarHBondContact O-CB 3.4Å; E74-A78 PolarHBondContact O-N 2.83Å; E75-A78 PolarHBondContact O-N 3.24Å; A78-A80 PolarHBondContact O-N 3.34Å; A78-T81 PolarHBondContact O-N 2.86Å; A78-T82 PolarHBondContact O-N 3.33Å; A78-T82 PolarHBondContact O-OG1 2.9Å
79	H	96.6	Very high	93.7	Very high	114 Å²	114	80.9 Å²	80.9	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-44.5	176.5	-70.4	160.6	0	0	0	112.7	E75 D76 T82 F83	E75-H79 VanDerWaalsContact CG-CE1 3.46Å; E75-H79 WeakPolarHBondContact CG-CE1 3.44Å; E75-H79 PolarHBondContact O-N 2.76Å; E75-H79 IonicContact OE1-CE1 3.35Å; E75-H79 PolarHBondContact OE1-CE1 2.81Å; D76-H79 PolarHBondContact O-N 2.89Å; H79-T82 PolarHBondContact O-N 3.42Å; H79-F83 PolarHBondContact O-N 3.41Å
80	A	94.2	Very high	93	Very high	34 Å²	34	79.7 Å²	79.7	28%	0.281	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-42.2	175.8	0	0	0	0	0	111.7	L37 D76 R77 A78 F83 I84	L37-A80 HydrophobicContact CD1-CB 3.64Å; L37-A80 HydrophobicContact CD2-CB 4.44Å; D76-A80 WeakPolarHBondContact O-CB 3.38Å; D76-A80 PolarHBondContact O-N 3.11Å; R77-A80 PolarHBondContact O-N 2.88Å; A78-A80 PolarHBondContact O-N 3.34Å; A80-F83 WeakPolarHBondContact O-CB 3.4Å; A80-F83 PolarHBondContact O-N 2.88Å; A80-I84 PolarHBondContact O-N 3.31Å
81	T	93.2	Very high	91.9	Very high	41 Å²	41	80.4 Å²	80.4	25%	0.252	44%	0.437	S	S	.	.	H	α-helix	trans	-60.5	-49.2	176.2	-57.5	0	0	0	0	111.2	R77 A78 F83 I84 E85	R77-T81 WeakPolarHBondContact O-CB 3.36Å; R77-T81 PolarHBondContact O-N 2.92Å; R77-T81 PolarHBondContact O-OG1 3.22Å; A78-T81 PolarHBondContact O-N 2.86Å; T81-F83 PolarHBondContact O-N 3.38Å; T81-I84 PolarHBondContact O-N 2.91Å; T81-I84 VanDerWaalsContact O-N 3.1Å; T81-E85 WeakPolarHBondContact O-CG 3.36Å; T81-E85 PolarHBondContact O-N 2.99Å
82	T	94	Very high	90.8	Very high	63 Å²	63	83.6 Å²	83.6	39%	0.387	45%	0.45	S	S	.	.	H	α-helix	trans	-61	-33.3	176.5	-63.4	0	0	0	0	112.7	A78 H79 K86	A78-T82 PolarHBondContact O-N 3.33Å; A78-T82 PolarHBondContact O-OG1 2.9Å; H79-T82 PolarHBondContact O-N 3.42Å; T82-K86 WeakPolarHBondContact O-CG 3.47Å; T82-K86 PolarHBondContact O-N 3.44Å
83	F	91.5	Very high	89.7	Confident	126 Å²	126	82.5 Å²	82.5	55%	0.553	45%	0.446	S	S	*	.	H	α-helix	trans	-66.1	-43	174.3	178.1	-106.2	0	0	0	111.8	H79 A80 T81 K86 I87	H79-F83 PolarHBondContact O-N 3.41Å; A80-F83 WeakPolarHBondContact O-CB 3.4Å; A80-F83 PolarHBondContact O-N 2.88Å; T81-F83 PolarHBondContact O-N 3.38Å; F83-K86 WeakPolarHBondContact O-CB 3.49Å; F83-K86 PolarHBondContact O-N 2.9Å; F83-I87 HydrophobicContact CD1-CD1 4.07Å; F83-I87 HydrophobicContact CE1-CD1 3.52Å; F83-I87 HydrophobicContact CE1-CG1 4.4Å; F83-I87 HydrophobicContact CZ-CD1 3.88Å; F83-I87 HydrophobicContact CZ-CG1 4.43Å; F83-I87 PolarHBondContact O-N 3.47Å
84	I	90.5	Very high	89.4	Confident	25 Å²	25	83 Å²	83	13%	0.128	45%	0.446	C	S	.	.	H	α-helix	trans	-63.1	-43.2	174.9	-64.5	-50.1	0	0	0	111.6	V33 A80 T81 K86 I87 E88	V33-I84 HydrophobicContact CB-CG1 4.13Å; V33-I84 HydrophobicContact CG1-CD1 4.45Å; V33-I84 HydrophobicContact CG1-CG1 3.68Å; V33-I84 HydrophobicContact CG2-CD1 4.1Å; V33-I84 HydrophobicContact CG2-CG1 4.1Å; A80-I84 PolarHBondContact O-N 3.31Å; T81-I84 PolarHBondContact O-N 2.91Å; T81-I84 VanDerWaalsContact O-N 3.1Å; I84-K86 PolarHBondContact O-N 3.42Å; I84-K86 VanDerWaalsContact O-N 3.14Å; I84-I87 HydrophobicContact CD1-CD1 4.15Å; I84-I87 WeakPolarHBondContact O-CA 3.12Å; I84-I87 WeakPolarHBondContact O-CB 3.28Å; I84-I87 PolarHBondContact O-N 3.43Å; I84-E88 HydrophobicContact CG2-CG 4.16Å; I84-E88 WeakPolarHBondContact O-CG 3.47Å; I84-E88 PolarHBondContact O-N 3.32Å
85	E	90.4	Very high	89	Confident	108 Å²	108	79.1 Å²	79.1	51%	0.505	43%	0.431	S	S	.	.	H	α-helix	trans	-56.6	-33.3	176.9	-70.5	173.4	162.6	0	0	112.3	T81 E88 A89	T81-E85 WeakPolarHBondContact O-CG 3.36Å; T81-E85 PolarHBondContact O-N 2.99Å; E85-E88 PolarHBondContact O-N 3.08Å; E85-A89 PolarHBondContact O-N 3.11Å
86	K	90.1	Very high	88.5	Confident	149 Å²	149	76.4 Å²	76.4	65%	0.648	42%	0.422	S	S	*	.	H	α-helix	trans	-70.8	-35.3	173.9	-70.1	174.6	-178.3	176.6	0	113	T82 F83 I84	T82-K86 WeakPolarHBondContact O-CG 3.47Å; T82-K86 PolarHBondContact O-N 3.44Å; F83-K86 WeakPolarHBondContact O-CB 3.49Å; F83-K86 PolarHBondContact O-N 2.9Å; I84-K86 PolarHBondContact O-N 3.42Å; I84-K86 VanDerWaalsContact O-N 3.14Å
87	I	85.4	Confident	88	Confident	71 Å²	71	76.8 Å²	76.8	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-66.6	-43.5	173.6	-66	174.8	0	0	0	109.4	F83 I84 A89 S90 C93	F83-I87 HydrophobicContact CD1-CD1 4.07Å; F83-I87 HydrophobicContact CE1-CD1 3.52Å; F83-I87 HydrophobicContact CE1-CG1 4.4Å; F83-I87 HydrophobicContact CZ-CD1 3.88Å; F83-I87 HydrophobicContact CZ-CG1 4.43Å; F83-I87 PolarHBondContact O-N 3.47Å; I84-I87 HydrophobicContact CD1-CD1 4.15Å; I84-I87 WeakPolarHBondContact O-CA 3.12Å; I84-I87 WeakPolarHBondContact O-CB 3.28Å; I84-I87 PolarHBondContact O-N 3.43Å; I87-A89 VanDerWaalsContact C-N 3.29Å; I87-A89 PolarHBondContact O-N 3.34Å; I87-S90 WeakPolarHBondContact O-CB 3.48Å; I87-S90 PolarHBondContact O-N 3.09Å; I87-C93 PolarHBondContact O-SG 3.46Å; I87-C93 VanDerWaalsContact O-SG 3.42Å
88	E	85.1	Confident	87.5	Confident	53 Å²	53	78.8 Å²	78.8	25%	0.248	44%	0.441	C	S	.	.	H	α-helix	trans	-64.5	-31.3	178.1	-66.4	-171.6	96.7	0	0	113.4	K30 I84 E85 S90	K30-E88 VanDerWaalsContact CB-OE1 3.25Å; K30-E88 WeakPolarHBondContact CB-OE1 3.34Å; K30-E88 WeakPolarHBondContact CD-OE1 3.37Å; K30-E88 WeakPolarHBondContact CE-OE1 3.47Å; K30-E88 WeakPolarHBondContact CG-OE1 3.35Å; K30-E88 IonicContact NZ-OE1 2.7Å; K30-E88 PolarHBondContact NZ-OE1 3.48Å; K30-E88 IonicContact NZ-OE2 2.81Å; K30-E88 PolarHBondContact NZ-OE2 3.29Å; I84-E88 HydrophobicContact CG2-CG 4.16Å; I84-E88 WeakPolarHBondContact O-CG 3.47Å; I84-E88 PolarHBondContact O-N 3.32Å; E85-E88 PolarHBondContact O-N 3.08Å; E88-S90 PolarHBondContact O-N 3.46Å
89	A	85.2	Confident	86.9	Confident	84 Å²	84	80.7 Å²	80.7	69%	0.694	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.9	174.1	0	0	0	0	0	113.2	E85 I87	E85-A89 PolarHBondContact O-N 3.11Å; I87-A89 VanDerWaalsContact C-N 3.29Å; I87-A89 PolarHBondContact O-N 3.34Å
90	S	82.6	Confident	86.2	Confident	44 Å²	44	78.3 Å²	78.3	31%	0.308	44%	0.437	S	S	.	.	S	Bend	trans	-68.5	134.9	176.2	-175.6	0	0	0	0	110.8	I87 E88 L92 C93	I87-S90 WeakPolarHBondContact O-CB 3.48Å; I87-S90 PolarHBondContact O-N 3.09Å; E88-S90 PolarHBondContact O-N 3.46Å; S90-L92 PolarHBondContact O-N 3.48Å; S90-L92 PolarHBondContact OG-N 3.31Å; S90-C93 WeakPolarHBondContact O-CB 3.38Å; S90-C93 PolarHBondContact O-N 3.5Å; S90-C93 VanDerWaalsContact O-N 3.1Å
91	P	76	Confident	85.6	Confident	109 Å²	109	81.7 Å²	81.7	71%	0.708	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-9.5	170.4	-22.3	33.3	0	0	0	114.6
92	L	74.6	Confident	85	Confident	157 Å²	157	85.1 Å²	85.1	82%	0.822	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.4	178.5	-58.5	177.7	0	0	0	113.2	S90	S90-L92 PolarHBondContact O-N 3.48Å; S90-L92 PolarHBondContact OG-N 3.31Å
93	C	74.4	Confident	84.2	Confident	32 Å²	32	87.1 Å²	87.1	22%	0.216	47%	0.472	C	S	.	.			trans	-88.2	0	-173.6	-125.4	0	0	0	0	114.7	C26 I87 S90	C26-C93 HydrophobicContact CB-CB 3.55Å; C26-C93 VanDerWaalsContact CB-OXT 3.3Å; C26-C93 WeakPolarHBondContact CB-OXT 3.16Å; C26-C93 WeakPolarHBondContact CB-SG 3.42Å; C26-C93 VanDerWaalsContact SG-C 3.52Å; C26-C93 WeakPolarHBondContact SG-CA 3.3Å; C26-C93 WeakPolarHBondContact SG-CB 3.48Å; C26-C93 PolarHBondContact SG-OXT 2.59Å; C26-C93 CovalentContact SG-SG 2Å; C26-C93 PolarHBondContact SG-SG 2.91Å; I87-C93 PolarHBondContact O-SG 3.46Å; I87-C93 VanDerWaalsContact O-SG 3.42Å; S90-C93 WeakPolarHBondContact O-CB 3.38Å; S90-C93 PolarHBondContact O-N 3.5Å; S90-C93 VanDerWaalsContact O-N 3.1Å

Retrieved 93 of 93 residues in 105.3 ms (Link to these results)

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