A0A087WQJ0_MOUSE Loading...

ABPA11_a18

AlphaFold DB , UniProt , Accession A0A087WQJ0, Species MOUSE (Mus musculus, Mouse), Gene Scgb1b11, Length 93 aa.

						>A0A087WQJ0_MOUSE|A0A087WQJ0|Scgb1b11
MKLVAAVVILGAALLLLTSGGDCGICPAIKEDVRLFLNGTSEEYVEYVKQYKDDPVILENTAKINQCVDSTLTEKDMTHTTTFLKKIEDSLLC
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	63.7	Low	81.2	Confident	212 Å²	212	110.3 Å²	110.3	100%	1.044	62%	0.619	S	S	*	*				0	-46	0	-63.5	-165.1	-74.3	0	0	113.7	L3 V4 A5	M1-L3 PolarHBondContact O-N 3.05Å; M1-V4 PolarHBondContact O-N 3.28Å; M1-A5 PolarHBondContact O-N 2.95Å
2	K	78.4	Confident	81.2	Confident	192 Å²	192	104.9 Å²	104.9	84%	0.835	60%	0.599	S	S	*	*	H	α-helix	trans	-60.9	-37.8	-175.4	-155	171.1	179.8	172.8	0	115.1	A6	K2-A6 PolarHBondContact O-N 3.21Å
3	L	81.6	Confident	81	Confident	146 Å²	146	100.2 Å²	100.2	76%	0.764	58%	0.58	S	S	*	*	H	α-helix	trans	-69.4	-40.7	177.6	-64.9	177.3	0	0	0	112.8	M1 A5 A6 V7	M1-L3 PolarHBondContact O-N 3.05Å; L3-A5 VanDerWaalsContact C-N 3.35Å; L3-A5 PolarHBondContact O-N 3.14Å; L3-A6 PolarHBondContact O-N 3.05Å; L3-V7 WeakPolarHBondContact O-CG2 3.49Å; L3-V7 PolarHBondContact O-N 3.31Å
4	V	83.4	Confident	80.6	Confident	102 Å²	102	100.4 Å²	100.4	62%	0.618	58%	0.578	S	S	*	*	H	α-helix	trans	-63.3	-43.6	178.1	-179	0	0	0	0	110.3	M1 A6 V7 V8	M1-V4 PolarHBondContact O-N 3.28Å; V4-A6 PolarHBondContact O-N 3.01Å; V4-V7 PolarHBondContact O-N 3.25Å; V4-V8 HydrophobicContact CG1-CG2 4.46Å; V4-V8 VanDerWaalsContact O-CG2 3.28Å; V4-V8 WeakPolarHBondContact O-CG2 3.44Å; V4-V8 PolarHBondContact O-N 3.01Å
5	A	80.8	Confident	80.1	Confident	54 Å²	54	101.6 Å²	101.6	45%	0.446	58%	0.58	S	S	.	*	H	α-helix	trans	-60.3	-42.9	175.3	0	0	0	0	0	112.4	M1 L3 V8 I9	M1-A5 PolarHBondContact O-N 2.95Å; L3-A5 VanDerWaalsContact C-N 3.35Å; L3-A5 PolarHBondContact O-N 3.14Å; A5-V8 PolarHBondContact O-N 2.92Å; A5-I9 VanDerWaalsContact O-CG1 3.3Å; A5-I9 WeakPolarHBondContact O-CG1 3.4Å; A5-I9 PolarHBondContact O-N 3.39Å
6	A	83.8	Confident	79.4	Confident	46 Å²	46	103.3 Å²	103.3	38%	0.38	59%	0.586	S	S	.	*	H	α-helix	trans	-64	-42.5	177.8	0	0	0	0	0	112.6	K2 L3 V4 I9 L10	K2-A6 PolarHBondContact O-N 3.21Å; L3-A6 PolarHBondContact O-N 3.05Å; V4-A6 PolarHBondContact O-N 3.01Å; A6-I9 PolarHBondContact O-N 3.49Å; A6-L10 PolarHBondContact O-N 3.22Å
7	V	84.7	Confident	78.7	Confident	102 Å²	102	105.6 Å²	105.6	62%	0.618	60%	0.596	S	S	*	*	H	α-helix	trans	-65.1	-39.8	177.2	174.1	0	0	0	0	111.3	L3 V4 L10 G11	L3-V7 WeakPolarHBondContact O-CG2 3.49Å; L3-V7 PolarHBondContact O-N 3.31Å; V4-V7 PolarHBondContact O-N 3.25Å; V7-L10 PolarHBondContact O-N 3Å; V7-G11 PolarHBondContact O-N 3.44Å
8	V	85.4	Confident	77.9	Confident	93 Å²	93	105.8 Å²	105.8	56%	0.564	60%	0.6	S	S	*	*	H	α-helix	trans	-64.4	-41.3	176.4	172.8	0	0	0	0	111.4	V4 A5 G11 A12	V4-V8 HydrophobicContact CG1-CG2 4.46Å; V4-V8 VanDerWaalsContact O-CG2 3.28Å; V4-V8 WeakPolarHBondContact O-CG2 3.44Å; V4-V8 PolarHBondContact O-N 3.01Å; A5-V8 PolarHBondContact O-N 2.92Å; V8-G11 PolarHBondContact O-N 2.94Å; V8-A12 WeakPolarHBondContact O-CB 3.34Å; V8-A12 PolarHBondContact O-N 2.95Å
9	I	85.5	Confident	76.8	Confident	121 Å²	121	104.1 Å²	104.1	62%	0.621	60%	0.595	S	S	*	*	H	α-helix	trans	-65.1	-45.3	177.3	-67.1	165.8	0	0	0	111.1	A5 A6 A12 A13	A5-I9 VanDerWaalsContact O-CG1 3.3Å; A5-I9 WeakPolarHBondContact O-CG1 3.4Å; A5-I9 PolarHBondContact O-N 3.39Å; A6-I9 PolarHBondContact O-N 3.49Å; I9-A12 PolarHBondContact O-N 3.08Å; I9-A13 WeakPolarHBondContact O-CB 3.46Å; I9-A13 PolarHBondContact O-N 2.63Å
10	L	82.7	Confident	75.9	Confident	114 Å²	114	101.8 Å²	101.8	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-62.6	-41.5	176.2	-84.6	152.3	0	0	0	111.9	A6 V7 A13 L14	A6-L10 PolarHBondContact O-N 3.22Å; V7-L10 PolarHBondContact O-N 3Å; L10-A13 PolarHBondContact O-N 3.27Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.02Å
11	G	83.5	Confident	75.1	Confident	31 Å²	31	99.1 Å²	99.1	32%	0.32	59%	0.59	S	S	.	*	H	α-helix	trans	-64.5	-42.6	176.2	0	0	0	0	0	112.8	V7 V8 L14 L15	V7-G11 PolarHBondContact O-N 3.44Å; V8-G11 PolarHBondContact O-N 2.94Å; G11-L14 PolarHBondContact O-N 3.48Å; G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.41Å
12	A	80.9	Confident	75.2	Confident	46 Å²	46	97.8 Å²	97.8	38%	0.38	59%	0.587	S	S	.	*	H	α-helix	trans	-66.8	-40.8	175.6	0	0	0	0	0	112.1	V8 I9 L15 L16	V8-A12 WeakPolarHBondContact O-CB 3.34Å; V8-A12 PolarHBondContact O-N 2.95Å; I9-A12 PolarHBondContact O-N 3.08Å; A12-L15 PolarHBondContact O-N 2.99Å; A12-L16 WeakPolarHBondContact O-CB 3.2Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.41Å; A12-L16 PolarHBondContact O-N 3.18Å
13	A	78.5	Confident	74.6	Confident	43 Å²	43	92.1 Å²	92.1	36%	0.355	57%	0.57	S	S	.	*	H	α-helix	trans	-63.7	-42.6	175.3	0	0	0	0	0	111.6	I9 L10 L16 L17	I9-A13 WeakPolarHBondContact O-CB 3.46Å; I9-A13 PolarHBondContact O-N 2.63Å; L10-A13 PolarHBondContact O-N 3.27Å; A13-L16 PolarHBondContact O-N 2.83Å; A13-L17 WeakPolarHBondContact O-CB 3.27Å; A13-L17 WeakPolarHBondContact O-CG 3.33Å; A13-L17 PolarHBondContact O-N 3Å
14	L	75.3	Confident	74.4	Confident	104 Å²	104	86.7 Å²	86.7	55%	0.545	55%	0.55	S	S	.	*	H	α-helix	trans	-62.8	-44.3	173.6	-76.8	162.7	0	0	0	111.4	L10 G11 L16 L17 T18	L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.02Å; G11-L14 PolarHBondContact O-N 3.48Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.17Å; L14-L17 CarbonylContact O-C 3.34Å; L14-L17 PolarHBondContact O-N 3.43Å; L14-T18 WeakPolarHBondContact O-CB 3.21Å; L14-T18 VanDerWaalsContact O-CG2 3.27Å; L14-T18 WeakPolarHBondContact O-CG2 3.17Å; L14-T18 PolarHBondContact O-N 3.28Å; L14-T18 PolarHBondContact O-OG1 3Å
15	L	73.6	Confident	74.4	Confident	118 Å²	118	83.7 Å²	83.7	62%	0.618	53%	0.53	S	S	*	.	H	α-helix	trans	-58.7	-44.5	175.1	-80.5	166.1	0	0	0	111.5	G11 A12 L17 T18 S19	G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.41Å; A12-L15 PolarHBondContact O-N 2.99Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.43Å; L15-T18 WeakPolarHBondContact CA-OG1 3.37Å; L15-T18 CarbonylContact O-C 3.59Å; L15-T18 PolarHBondContact O-N 2.95Å; L15-T18 PolarHBondContact O-OG1 3.12Å; L15-T18 VanDerWaalsContact O-OG1 3.13Å; L15-S19 VanDerWaalsContact O-CB 3.3Å; L15-S19 WeakPolarHBondContact O-CB 3.44Å; L15-S19 PolarHBondContact O-N 3.24Å; L15-S19 PolarHBondContact O-OG 3.44Å
16	L	68.9	Low	74.6	Confident	128 Å²	128	84.6 Å²	84.6	67%	0.67	53%	0.532	S	S	*	.	H	α-helix	trans	-65.1	-35.5	176.3	-70.8	170.4	0	0	0	112.9	A12 A13 L14 S19	A12-L16 WeakPolarHBondContact O-CB 3.2Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.41Å; A12-L16 PolarHBondContact O-N 3.18Å; A13-L16 PolarHBondContact O-N 2.83Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.17Å; L16-S19 WeakPolarHBondContact CA-OG 3.48Å; L16-S19 PolarHBondContact O-OG 2.96Å
17	L	67.2	Low	74.9	Confident	144 Å²	144	87.4 Å²	87.4	75%	0.754	55%	0.547	S	S	*	.	H	α-helix	trans	-75.2	-28.9	175.8	-68.9	170.7	0	0	0	112.5	A13 L14 L15	A13-L17 WeakPolarHBondContact O-CB 3.27Å; A13-L17 WeakPolarHBondContact O-CG 3.33Å; A13-L17 PolarHBondContact O-N 3Å; L14-L17 CarbonylContact O-C 3.34Å; L14-L17 PolarHBondContact O-N 3.43Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.43Å
18	T	64.2	Low	75.3	Confident	108 Å²	108	83.9 Å²	83.9	66%	0.663	53%	0.528	S	S	*	.	H	α-helix	trans	-91.9	-21.5	178.3	60.1	0	0	0	0	113.6	L14 L15 G20	L14-T18 WeakPolarHBondContact O-CB 3.21Å; L14-T18 VanDerWaalsContact O-CG2 3.27Å; L14-T18 WeakPolarHBondContact O-CG2 3.17Å; L14-T18 PolarHBondContact O-N 3.28Å; L14-T18 PolarHBondContact O-OG1 3Å; L15-T18 WeakPolarHBondContact CA-OG1 3.37Å; L15-T18 CarbonylContact O-C 3.59Å; L15-T18 PolarHBondContact O-N 2.95Å; L15-T18 PolarHBondContact O-OG1 3.12Å; L15-T18 VanDerWaalsContact O-OG1 3.13Å; T18-G20 PolarHBondContact O-N 2.83Å
19	S	57.9	Low	75.6	Confident	73 Å²	73	83.8 Å²	83.8	51%	0.51	52%	0.524	S	S	.	.			trans	-74.8	64.9	162.2	70.1	0	0	0	0	107	L15 L16 G21	L15-S19 VanDerWaalsContact O-CB 3.3Å; L15-S19 WeakPolarHBondContact O-CB 3.44Å; L15-S19 PolarHBondContact O-N 3.24Å; L15-S19 PolarHBondContact O-OG 3.44Å; L16-S19 WeakPolarHBondContact CA-OG 3.48Å; L16-S19 PolarHBondContact O-OG 2.96Å; S19-G21 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact O-N 3.13Å
20	G	57.4	Low	75.9	Confident	59 Å²	59	83 Å²	83	61%	0.608	52%	0.516	S	S	*	.			trans	-50.5	111	151	0	0	0	0	0	104.3	T18	T18-G20 PolarHBondContact O-N 2.83Å
21	G	60.8	Low	76.4	Confident	46 Å²	46	80.5 Å²	80.5	47%	0.474	50%	0.501	S	S	.	.			trans	-56	172.5	166.2	0	0	0	0	0	108.1	S19 C23	S19-G21 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact O-N 3.13Å; G21-C23 PolarHBondContact O-N 3.44Å; G21-C23 PolarHBondContact O-SG 2.9Å
22	D	64.5	Low	77	Confident	183 Å²	183	81.2 Å²	81.2	98%	0.979	50%	0.497	S	S	*	.	S	Bend	trans	-64.3	71.6	159.2	-79.6	-37.3	0	0	0	108.2	G24	D22-G24 VanDerWaalsContact C-N 3.27Å
23	C	66.9	Low	77.7	Confident	73 Å²	73	80.6 Å²	80.6	49%	0.493	49%	0.489	S	S	.	.			trans	-90.3	-2.2	-179.9	-51.6	0	0	0	0	110.8	G21 C93	G21-C23 PolarHBondContact O-N 3.44Å; G21-C23 PolarHBondContact O-SG 2.9Å; C23-C93 CarbonylContact C-O 3.59Å; C23-C93 VanDerWaalsContact CB-C 3.42Å; C23-C93 WeakPolarHBondContact CB-O 3.25Å; C23-C93 WeakPolarHBondContact CB-OXT 3.39Å; C23-C93 CarbonylContact O-C 3.38Å
24	G	77	Confident	78.5	Confident	33 Å²	33	84 Å²	84	34%	0.34	49%	0.493	S	S	.	.	S	Bend	trans	-62.5	-178.2	166.9	0	0	0	0	0	113.3	D22 C26	D22-G24 VanDerWaalsContact C-N 3.27Å; G24-C26 PolarHBondContact O-N 3.24Å
25	I	82.4	Confident	79.5	Confident	39 Å²	39	79.5 Å²	79.5	20%	0.2	47%	0.469	C	S	.	.			trans	-62.4	129.7	178.1	-58.4	174.9	0	0	0	109	I29 K30 L84 I87 E88	I25-I29 HydrophobicContact CG2-CB 3.88Å; I25-I29 HydrophobicContact CG2-CG2 3.83Å; I25-K30 HydrophobicContact CG2-CB 4.17Å; I25-L84 HydrophobicContact CD1-CB 3.98Å; I25-L84 HydrophobicContact CD1-CD2 3.66Å; I25-L84 HydrophobicContact CD1-CG 4.37Å; I25-I87 HydrophobicContact CD1-CG2 4.46Å; I25-I87 HydrophobicContact CG1-CG2 4.19Å; I25-E88 HydrophobicContact CB-CG 4.43Å; I25-E88 HydrophobicContact CD1-CG 4.01Å; I25-E88 HydrophobicContact CG1-CG 4.16Å
26	C	86.1	Confident	80.6	Confident	72 Å²	72	76.2 Å²	76.2	49%	0.486	45%	0.45	S	S	.	.			trans	-51.9	132.2	174.1	176.8	0	0	0	0	110	G24 A28 I29 K30	G24-C26 PolarHBondContact O-N 3.24Å; C26-A28 PolarHBondContact O-N 3.12Å; C26-I29 HydrophobicContact CB-CB 4.35Å; C26-I29 HydrophobicContact CB-CG1 4.01Å; C26-I29 WeakPolarHBondContact O-CA 3.33Å; C26-I29 PolarHBondContact O-N 3.34Å; C26-K30 PolarHBondContact O-N 3.41Å
27	P	89.3	Confident	81.9	Confident	106 Å²	106	70.6 Å²	70.6	69%	0.688	42%	0.42	S	S	*	.	H	α-helix	trans	-52.5	-34.7	-177.8	-30.3	35.5	0	0	0	114.2	K30 E31	P27-K30 PolarHBondContact O-N 3.49Å; P27-E31 PolarHBondContact O-N 3.18Å
28	A	92.7	Very high	83.2	Confident	28 Å²	28	68.1 Å²	68.1	23%	0.231	41%	0.408	C	S	.	.	H	α-helix	trans	-63.7	-45.5	175.1	0	0	0	0	0	112.3	C26 K30 E31 D32 Y47 Y51	C26-A28 PolarHBondContact O-N 3.12Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.47Å; A28-E31 PolarHBondContact O-N 2.96Å; A28-D32 WeakPolarHBondContact O-CB 3.39Å; A28-D32 PolarHBondContact O-N 3.48Å; A28-Y47 WeakPolarHBondContact CA-OH 3.26Å; A28-Y47 PolarHBondContact O-OH 3.29Å; A28-Y51 WeakPolarHBondContact CB-OH 3.27Å
29	I	91.6	Very high	84.6	Confident	91 Å²	91	63.5 Å²	63.5	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-67.4	-36.1	177.5	-58.8	-59.3	0	0	0	111.1	I25 C26 E31 D32 V33	I25-I29 HydrophobicContact CG2-CB 3.88Å; I25-I29 HydrophobicContact CG2-CG2 3.83Å; C26-I29 HydrophobicContact CB-CB 4.35Å; C26-I29 HydrophobicContact CB-CG1 4.01Å; C26-I29 WeakPolarHBondContact O-CA 3.33Å; C26-I29 PolarHBondContact O-N 3.34Å; I29-E31 VanDerWaalsContact C-N 3.34Å; I29-E31 PolarHBondContact O-N 2.9Å; I29-D32 PolarHBondContact O-N 3.05Å; I29-V33 HydrophobicContact CG2-CG2 4.39Å; I29-V33 WeakPolarHBondContact O-CG2 3.48Å; I29-V33 PolarHBondContact O-N 3.01Å
30	K	91.7	Very high	86.3	Confident	103 Å²	103	63.4 Å²	63.4	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-47	175.1	-176.9	-176	-173.2	137.8	0	111.2	I25 C26 P27 A28 R34 E88	I25-K30 HydrophobicContact CG2-CB 4.17Å; C26-K30 PolarHBondContact O-N 3.41Å; P27-K30 PolarHBondContact O-N 3.49Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.47Å; K30-R34 WeakPolarHBondContact O-CB 3.46Å; K30-R34 PolarHBondContact O-N 2.96Å; K30-E88 WeakPolarHBondContact CD-OE1 3.49Å; K30-E88 WeakPolarHBondContact CE-OE1 3.46Å; K30-E88 IonicContact NZ-OE1 2.73Å; K30-E88 PolarHBondContact NZ-OE1 2.65Å; K30-E88 IonicContact NZ-OE2 2.63Å; K30-E88 PolarHBondContact NZ-OE2 2.87Å
31	E	94.8	Very high	88.1	Confident	63 Å²	63	62.2 Å²	62.2	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-69.4	-39.9	-179.9	-174.3	63.7	-178.6	0	0	112	P27 A28 I29 V33 R34 L35 Y47	P27-E31 PolarHBondContact O-N 3.18Å; A28-E31 PolarHBondContact O-N 2.96Å; I29-E31 VanDerWaalsContact C-N 3.34Å; I29-E31 PolarHBondContact O-N 2.9Å; E31-V33 PolarHBondContact O-N 3.46Å; E31-R34 WeakPolarHBondContact O-CB 3.45Å; E31-R34 PolarHBondContact O-N 3.36Å; E31-R34 IonicContact OE1-CZ 2.65Å; E31-R34 IonicContact OE1-NE 2.81Å; E31-R34 PolarHBondContact OE1-NE 3.05Å; E31-R34 IonicContact OE1-NH2 3.37Å; E31-R34 PolarHBondContact OE1-NH2 2.65Å; E31-R34 IonicContact OE2-CZ 3.64Å; E31-R34 IonicContact OE2-NE 3.41Å; E31-R34 PolarHBondContact OE2-NE 3.37Å; E31-R34 IonicContact OE2-NH2 2.78Å; E31-L35 HydrophobicContact CG-CD1 4.18Å; E31-L35 WeakPolarHBondContact O-CB 3.42Å; E31-L35 WeakPolarHBondContact O-CG 3.5Å; E31-L35 PolarHBondContact O-N 2.78Å; E31-Y47 HydrophobicContact CB-CE2 4Å; E31-Y47 HydrophobicContact CG-CD2 3.99Å; E31-Y47 HydrophobicContact CG-CE2 3.38Å
32	D	95.8	Very high	89.8	Confident	45 Å²	45	67.9 Å²	67.9	24%	0.241	37%	0.374	C	S	.	.	H	α-helix	trans	-53.5	-54.1	172.4	-176	76.8	0	0	0	111.2	A28 I29 R34 L35 F36 Y44 Y47	A28-D32 WeakPolarHBondContact O-CB 3.39Å; A28-D32 PolarHBondContact O-N 3.48Å; I29-D32 PolarHBondContact O-N 3.05Å; D32-R34 VanDerWaalsContact C-N 3.34Å; D32-R34 PolarHBondContact O-N 3.14Å; D32-L35 PolarHBondContact O-N 3.46Å; D32-F36 VanDerWaalsContact O-CB 3.23Å; D32-F36 WeakPolarHBondContact O-CB 3.48Å; D32-F36 PolarHBondContact O-N 2.93Å; D32-Y44 WeakPolarHBondContact OD1-CE2 3.49Å; D32-Y47 HydrophobicContact CB-CE1 3.89Å
33	V	94.8	Very high	91.4	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.2	35%	0.351	C	S	.	.	H	α-helix	trans	-67.5	-35.2	179.9	179.9	0	0	0	0	111.9	I29 E31 F36 L37 L84	I29-V33 HydrophobicContact CG2-CG2 4.39Å; I29-V33 WeakPolarHBondContact O-CG2 3.48Å; I29-V33 PolarHBondContact O-N 3.01Å; E31-V33 PolarHBondContact O-N 3.46Å; V33-F36 PolarHBondContact O-N 3.25Å; V33-L37 HydrophobicContact CG1-CD1 3.69Å; V33-L37 HydrophobicContact CG1-CG 4.17Å; V33-L37 WeakPolarHBondContact O-CB 3.5Å; V33-L37 WeakPolarHBondContact O-CG 3.18Å; V33-L37 PolarHBondContact O-N 3.49Å; V33-L37 VanDerWaalsContact O-N 3.07Å; V33-L84 HydrophobicContact CB-CD1 4.23Å; V33-L84 HydrophobicContact CG1-CD1 3.44Å; V33-L84 VanDerWaalsContact CG1-CD1 3.44Å
34	R	95.2	Very high	92.9	Very high	116 Å²	116	61.7 Å²	61.7	44%	0.438	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-48.7	175.9	-173.5	-169.2	72.7	76.6	-2.4	111	K30 E31 D32 N38	K30-R34 WeakPolarHBondContact O-CB 3.46Å; K30-R34 PolarHBondContact O-N 2.96Å; E31-R34 WeakPolarHBondContact O-CB 3.45Å; E31-R34 PolarHBondContact O-N 3.36Å; E31-R34 IonicContact OE1-CZ 2.65Å; E31-R34 IonicContact OE1-NE 2.81Å; E31-R34 PolarHBondContact OE1-NE 3.05Å; E31-R34 IonicContact OE1-NH2 3.37Å; E31-R34 PolarHBondContact OE1-NH2 2.65Å; E31-R34 IonicContact OE2-CZ 3.64Å; E31-R34 IonicContact OE2-NE 3.41Å; E31-R34 PolarHBondContact OE2-NE 3.37Å; E31-R34 IonicContact OE2-NH2 2.78Å; D32-R34 VanDerWaalsContact C-N 3.34Å; D32-R34 PolarHBondContact O-N 3.14Å; R34-N38 WeakPolarHBondContact O-CB 3.33Å; R34-N38 PolarHBondContact O-N 3.41Å
35	L	96.6	Very high	93.9	Very high	9 Å²	9	61.5 Å²	61.5	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-70.3	-39.4	179	-72.8	171.9	0	0	0	111.7	E31 D32 L37 G39 E43 Y44 Y47	E31-L35 HydrophobicContact CG-CD1 4.18Å; E31-L35 WeakPolarHBondContact O-CB 3.42Å; E31-L35 WeakPolarHBondContact O-CG 3.5Å; E31-L35 PolarHBondContact O-N 2.78Å; D32-L35 PolarHBondContact O-N 3.46Å; L35-L37 PolarHBondContact O-N 2.94Å; L35-G39 VanDerWaalsContact O-CA 3.26Å; L35-G39 WeakPolarHBondContact O-CA 3.04Å; L35-G39 PolarHBondContact O-N 2.84Å; L35-E43 HydrophobicContact CD2-CB 4.04Å; L35-Y44 HydrophobicContact CB-CD2 3.8Å; L35-Y44 HydrophobicContact CB-CG 4.45Å; L35-Y47 HydrophobicContact CD1-CD1 4.11Å; L35-Y47 HydrophobicContact CD1-CD2 3.58Å; L35-Y47 HydrophobicContact CD1-CE2 4.42Å; L35-Y47 HydrophobicContact CD1-CG 3.41Å; L35-Y47 VanDerWaalsContact CD1-CG 3.41Å
36	F	96.5	Very high	94.6	Very high	49 Å²	49	65.3 Å²	65.3	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-34.9	177.3	-176.6	-118.7	0	0	0	113.4	D32 V33 Y44 I64 N65 V68	D32-F36 VanDerWaalsContact O-CB 3.23Å; D32-F36 WeakPolarHBondContact O-CB 3.48Å; D32-F36 PolarHBondContact O-N 2.93Å; V33-F36 PolarHBondContact O-N 3.25Å; F36-Y44 HydrophobicContact CB-CD2 4.27Å; F36-Y44 HydrophobicContact CB-CE1 4.42Å; F36-Y44 HydrophobicContact CB-CE2 3.84Å; F36-Y44 HydrophobicContact CD2-CD1 4.09Å; F36-Y44 AromaticContact CD2-CE1 3.38Å; F36-Y44 HydrophobicContact CD2-CE1 3.38Å; F36-Y44 HydrophobicContact CD2-CE2 4.25Å; F36-Y44 AromaticContact CD2-CZ 3.47Å; F36-Y44 VanDerWaalsContact CD2-CZ 3.47Å; F36-Y44 HydrophobicContact CE2-CE1 4.04Å; F36-Y44 HydrophobicContact CG-CE1 4.35Å; F36-I64 HydrophobicContact CE2-CG2 3.73Å; F36-I64 HydrophobicContact CZ-CG2 3.85Å; F36-N65 HydrophobicContact CD2-CB 4.46Å; F36-N65 PolarHBondContact O-ND2 3.31Å; F36-V68 HydrophobicContact CE1-CG2 3.79Å; F36-V68 HydrophobicContact CE2-CG2 3.81Å; F36-V68 HydrophobicContact CZ-CG2 3.34Å
37	L	96	Very high	95.2	Very high	9 Å²	9	63.4 Å²	63.4	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-98.5	-32.8	-177.5	-63.2	177.6	0	0	0	113.9	V33 L35 V68 L72 T80	V33-L37 HydrophobicContact CG1-CD1 3.69Å; V33-L37 HydrophobicContact CG1-CG 4.17Å; V33-L37 WeakPolarHBondContact O-CB 3.5Å; V33-L37 WeakPolarHBondContact O-CG 3.18Å; V33-L37 PolarHBondContact O-N 3.49Å; V33-L37 VanDerWaalsContact O-N 3.07Å; L35-L37 PolarHBondContact O-N 2.94Å; L37-V68 HydrophobicContact CD2-CG1 4.42Å; L37-L72 HydrophobicContact CD2-CD1 4.06Å; L37-T80 HydrophobicContact CD1-CG2 3.59Å
38	N	94.3	Very high	95.6	Very high	93 Å²	93	59.2 Å²	59.2	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-129.8	-4.9	-171.1	-52.2	-80.1	0	0	0	113.8	R34	R34-N38 WeakPolarHBondContact O-CB 3.33Å; R34-N38 PolarHBondContact O-N 3.41Å
39	G	94	Very high	95.9	Very high	10 Å²	10	61.4 Å²	61.4	10%	0.103	30%	0.3	C	S	.	.	S	Bend	trans	-85.2	166.1	174	0	0	0	0	0	111.2	L35	L35-G39 VanDerWaalsContact O-CA 3.26Å; L35-G39 WeakPolarHBondContact O-CA 3.04Å; L35-G39 PolarHBondContact O-N 2.84Å
40	T	94.6	Very high	96.2	Very high	72 Å²	72	63 Å²	63	44%	0.442	31%	0.306	S	S	.	.			trans	-73.2	155.2	166	62	0	0	0	0	110.5	E42 E43 Y44	T40-E42 PolarHBondContact O-N 2.99Å; T40-E43 WeakPolarHBondContact CB-OE2 3.26Å; T40-E43 PolarHBondContact N-OE2 3.13Å; T40-E43 PolarHBondContact O-N 2.89Å; T40-E43 VanDerWaalsContact O-N 3.12Å; T40-E43 WeakPolarHBondContact OG1-CB 3.48Å; T40-E43 VanDerWaalsContact OG1-CD 3.29Å; T40-E43 WeakPolarHBondContact OG1-CG 3.43Å; T40-E43 PolarHBondContact OG1-N 3.01Å; T40-E43 PolarHBondContact OG1-OE2 3.5Å; T40-Y44 PolarHBondContact O-N 3.03Å
41	S	95.4	Very high	96.4	Very high	33 Å²	33	64.9 Å²	64.9	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-54.4	-36.3	174.9	-156.3	0	0	0	0	113	V45 N65	S41-V45 WeakPolarHBondContact O-CB 3.35Å; S41-V45 WeakPolarHBondContact O-CG2 3.44Å; S41-V45 PolarHBondContact O-N 3.3Å; S41-N65 WeakPolarHBondContact CA-OD1 3.47Å; S41-N65 WeakPolarHBondContact CB-OD1 3.28Å; S41-N65 PolarHBondContact N-OD1 2.88Å; S41-N65 PolarHBondContact OG-OD1 3.45Å; S41-N65 VanDerWaalsContact OG-OD1 3.14Å
42	E	96.5	Very high	96.5	Very high	166 Å²	166	67 Å²	67	78%	0.776	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-48.6	176.8	-66.3	172.7	-175.1	0	0	111.8	T40 Y44 V45 E46	T40-E42 PolarHBondContact O-N 2.99Å; E42-Y44 VanDerWaalsContact C-N 3.33Å; E42-Y44 PolarHBondContact O-N 3.46Å; E42-V45 PolarHBondContact O-N 3.34Å; E42-E46 WeakPolarHBondContact O-CB 3.23Å; E42-E46 PolarHBondContact O-N 3.42Å
43	E	97.7	Very high	96.6	Very high	103 Å²	103	70.2 Å²	70.2	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-41.2	177	-71.3	165.5	136.3	0	0	111.9	L35 T40 Y47	L35-E43 HydrophobicContact CD2-CB 4.04Å; T40-E43 WeakPolarHBondContact CB-OE2 3.26Å; T40-E43 PolarHBondContact N-OE2 3.13Å; T40-E43 PolarHBondContact O-N 2.89Å; T40-E43 VanDerWaalsContact O-N 3.12Å; T40-E43 WeakPolarHBondContact OG1-CB 3.48Å; T40-E43 VanDerWaalsContact OG1-CD 3.29Å; T40-E43 WeakPolarHBondContact OG1-CG 3.43Å; T40-E43 PolarHBondContact OG1-N 3.01Å; T40-E43 PolarHBondContact OG1-OE2 3.5Å; E43-Y47 WeakPolarHBondContact O-CB 3.34Å; E43-Y47 PolarHBondContact O-N 2.95Å
44	Y	97.8	Very high	96.8	Very high	23 Å²	23	71.2 Å²	71.2	9%	0.09	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-43	179.6	-179.3	-125.6	0	0	0	112.3	D32 L35 F36 T40 E42 Y47 V48 T61 N65	D32-Y44 WeakPolarHBondContact OD1-CE2 3.49Å; L35-Y44 HydrophobicContact CB-CD2 3.8Å; L35-Y44 HydrophobicContact CB-CG 4.45Å; F36-Y44 HydrophobicContact CB-CD2 4.27Å; F36-Y44 HydrophobicContact CB-CE1 4.42Å; F36-Y44 HydrophobicContact CB-CE2 3.84Å; F36-Y44 HydrophobicContact CD2-CD1 4.09Å; F36-Y44 AromaticContact CD2-CE1 3.38Å; F36-Y44 HydrophobicContact CD2-CE1 3.38Å; F36-Y44 HydrophobicContact CD2-CE2 4.25Å; F36-Y44 AromaticContact CD2-CZ 3.47Å; F36-Y44 VanDerWaalsContact CD2-CZ 3.47Å; F36-Y44 HydrophobicContact CE2-CE1 4.04Å; F36-Y44 HydrophobicContact CG-CE1 4.35Å; T40-Y44 PolarHBondContact O-N 3.03Å; E42-Y44 VanDerWaalsContact C-N 3.33Å; E42-Y44 PolarHBondContact O-N 3.46Å; Y44-Y47 WeakPolarHBondContact O-CB 3.17Å; Y44-Y47 PolarHBondContact O-N 3.07Å; Y44-V48 HydrophobicContact CD2-CG2 4.31Å; Y44-V48 HydrophobicContact CE2-CG2 3.88Å; Y44-V48 WeakPolarHBondContact O-CG2 3.32Å; Y44-V48 PolarHBondContact O-N 2.99Å; Y44-T61 HydrophobicContact CD1-CG2 3.54Å; Y44-T61 HydrophobicContact CE1-CG2 3.33Å; Y44-T61 HydrophobicContact CG-CG2 4.41Å; Y44-N65 HydrophobicContact CD1-CB 3.71Å; Y44-N65 HydrophobicContact CE1-CB 4.14Å
45	V	98.1	Very high	96.9	Very high	29 Å²	29	70.6 Å²	70.6	18%	0.176	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-43.3	175.9	169.8	0	0	0	0	111.2	S41 E42 Y47 V48 K49 L58 T61 A62	S41-V45 WeakPolarHBondContact O-CB 3.35Å; S41-V45 WeakPolarHBondContact O-CG2 3.44Å; S41-V45 PolarHBondContact O-N 3.3Å; E42-V45 PolarHBondContact O-N 3.34Å; V45-Y47 VanDerWaalsContact C-N 3.29Å; V45-Y47 PolarHBondContact O-N 3.46Å; V45-V48 PolarHBondContact O-N 2.9Å; V45-K49 WeakPolarHBondContact O-CB 3.49Å; V45-K49 PolarHBondContact O-N 3.47Å; V45-L58 HydrophobicContact CG1-CB 4.19Å; V45-L58 HydrophobicContact CG1-CD2 4.22Å; V45-T61 HydrophobicContact CG2-CG2 3.95Å; V45-A62 HydrophobicContact CG2-CB 3.8Å
46	E	98.3	Very high	97	Very high	119 Å²	119	74.3 Å²	74.3	56%	0.556	38%	0.375	S	S	*	.	H	α-helix	trans	-63.6	-37.2	177.4	-172	60.1	-158.9	0	0	111.4	E42 K49	E42-E46 WeakPolarHBondContact O-CB 3.23Å; E42-E46 PolarHBondContact O-N 3.42Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 3.19Å
47	Y	98.3	Very high	97	Very high	31 Å²	31	75 Å²	75	12%	0.122	38%	0.38	C	S	.	.	H	α-helix	trans	-64	-44.1	174	-177.5	-93.4	0	0	0	112.9	A28 E31 D32 L35 E43 Y44 V45 K49 Q50 Y51	A28-Y47 WeakPolarHBondContact CA-OH 3.26Å; A28-Y47 PolarHBondContact O-OH 3.29Å; E31-Y47 HydrophobicContact CB-CE2 4Å; E31-Y47 HydrophobicContact CG-CD2 3.99Å; E31-Y47 HydrophobicContact CG-CE2 3.38Å; D32-Y47 HydrophobicContact CB-CE1 3.89Å; L35-Y47 HydrophobicContact CD1-CD1 4.11Å; L35-Y47 HydrophobicContact CD1-CD2 3.58Å; L35-Y47 HydrophobicContact CD1-CE2 4.42Å; L35-Y47 HydrophobicContact CD1-CG 3.41Å; L35-Y47 VanDerWaalsContact CD1-CG 3.41Å; E43-Y47 WeakPolarHBondContact O-CB 3.34Å; E43-Y47 PolarHBondContact O-N 2.95Å; Y44-Y47 WeakPolarHBondContact O-CB 3.17Å; Y44-Y47 PolarHBondContact O-N 3.07Å; V45-Y47 VanDerWaalsContact C-N 3.29Å; V45-Y47 PolarHBondContact O-N 3.46Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 2.83Å; Y47-Q50 WeakPolarHBondContact O-CG 3.5Å; Y47-Q50 PolarHBondContact O-NE2 3.13Å; Y47-Y51 HydrophobicContact CD1-CE2 4.29Å; Y47-Y51 HydrophobicContact CE1-CD2 4.39Å; Y47-Y51 AromaticContact CE1-CE2 3.62Å; Y47-Y51 HydrophobicContact CE1-CE2 3.62Å; Y47-Y51 HydrophobicContact CE2-CE2 4.38Å; Y47-Y51 AromaticContact CZ-CE2 3.66Å; Y47-Y51 PolarHBondContact OH-OH 3.48Å
48	V	97.8	Very high	97.1	Very high	18 Å²	18	75.8 Å²	75.8	11%	0.109	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-36.7	177.8	172	0	0	0	0	111.3	Y44 V45 Q50 Y51 K52 I57 L58 T61	Y44-V48 HydrophobicContact CD2-CG2 4.31Å; Y44-V48 HydrophobicContact CE2-CG2 3.88Å; Y44-V48 WeakPolarHBondContact O-CG2 3.32Å; Y44-V48 PolarHBondContact O-N 2.99Å; V45-V48 PolarHBondContact O-N 2.9Å; V48-Q50 PolarHBondContact O-N 2.9Å; V48-Y51 PolarHBondContact O-N 3.28Å; V48-K52 PolarHBondContact O-N 3.15Å; V48-I57 HydrophobicContact CG1-CG2 4.31Å; V48-L58 HydrophobicContact CG1-CD2 4.26Å; V48-T61 HydrophobicContact CB-CG2 4.13Å; V48-T61 HydrophobicContact CG1-CG2 4.46Å; V48-T61 HydrophobicContact CG2-CG2 3.77Å
49	K	98	Very high	97.3	Very high	75 Å²	75	76.4 Å²	76.4	33%	0.326	38%	0.384	S	S	.	.	H	α-helix	trans	-56.8	-34.6	-179.7	-175.8	178.5	178.7	-171.1	0	113.6	V45 E46 Y47 Y51 K52 D53 L58	V45-K49 WeakPolarHBondContact O-CB 3.49Å; V45-K49 PolarHBondContact O-N 3.47Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 3.19Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 2.83Å; K49-Y51 PolarHBondContact O-N 3.04Å; K49-K52 CarbonylContact O-C 3.43Å; K49-K52 PolarHBondContact O-N 2.81Å; K49-D53 WeakPolarHBondContact CE-OD1 3.4Å; K49-D53 WeakPolarHBondContact CE-OD2 3.3Å; K49-D53 HydrophobicContact CG-CB 4.05Å; K49-D53 PolarHBondContact O-N 2.88Å; K49-L58 HydrophobicContact CB-CD1 4.17Å; K49-L58 HydrophobicContact CB-CD2 3.83Å; K49-L58 HydrophobicContact CD-CD1 4.1Å; K49-L58 HydrophobicContact CG-CD1 3.95Å; K49-L58 HydrophobicContact CG-CD2 4.44Å
50	Q	97.4	Very high	97.5	Very high	125 Å²	125	79.6 Å²	79.6	58%	0.584	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.1	178.2	88.2	-165.7	-52.4	0	0	113.1	Y47 V48	Y47-Q50 WeakPolarHBondContact O-CG 3.5Å; Y47-Q50 PolarHBondContact O-NE2 3.13Å; V48-Q50 PolarHBondContact O-N 2.9Å
51	Y	96.3	Very high	97.6	Very high	141 Å²	141	76.8 Å²	76.8	55%	0.553	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-34.6	176.7	-63.2	-79.4	0	0	0	111.9	A28 Y47 V48 K49	A28-Y51 WeakPolarHBondContact CB-OH 3.27Å; Y47-Y51 HydrophobicContact CD1-CE2 4.29Å; Y47-Y51 HydrophobicContact CE1-CD2 4.39Å; Y47-Y51 AromaticContact CE1-CE2 3.62Å; Y47-Y51 HydrophobicContact CE1-CE2 3.62Å; Y47-Y51 HydrophobicContact CE2-CE2 4.38Å; Y47-Y51 AromaticContact CZ-CE2 3.66Å; Y47-Y51 PolarHBondContact OH-OH 3.48Å; V48-Y51 PolarHBondContact O-N 3.28Å; K49-Y51 PolarHBondContact O-N 3.04Å
52	K	97	Very high	97.7	Very high	109 Å²	109	76.8 Å²	76.8	47%	0.474	38%	0.383	S	S	.	.			trans	-152.9	95.5	-175.9	-170.6	63.1	172.6	176.5	0	111.9	V48 K49 D54 I57	V48-K52 PolarHBondContact O-N 3.15Å; K49-K52 CarbonylContact O-C 3.43Å; K49-K52 PolarHBondContact O-N 2.81Å; K52-D54 VanDerWaalsContact C-N 3.29Å; K52-D54 HydrophobicContact CD-CB 4.4Å; K52-D54 HydrophobicContact CG-CB 4.09Å; K52-D54 PolarHBondContact O-N 2.71Å; K52-I57 HydrophobicContact CD-CD1 4.27Å; K52-I57 HydrophobicContact CG-CD1 3.47Å; K52-I57 VanDerWaalsContact CG-CD1 3.47Å
53	D	97.8	Very high	97.8	Very high	111 Å²	111	73.9 Å²	73.9	59%	0.594	37%	0.368	S	S	*	.			trans	-82.7	74.1	172.4	-164.1	8.6	0	0	0	110.7	K49	K49-D53 WeakPolarHBondContact CE-OD1 3.4Å; K49-D53 WeakPolarHBondContact CE-OD2 3.3Å; K49-D53 HydrophobicContact CG-CB 4.05Å; K49-D53 PolarHBondContact O-N 2.88Å
54	D	98.4	Very high	97.7	Very high	54 Å²	54	73.6 Å²	73.6	29%	0.289	37%	0.369	S	S	.	.			trans	-122.2	119.9	175.6	-179.6	-61.5	0	0	0	109.1	K52 V56 I57 L58	K52-D54 VanDerWaalsContact C-N 3.29Å; K52-D54 HydrophobicContact CD-CB 4.4Å; K52-D54 HydrophobicContact CG-CB 4.09Å; K52-D54 PolarHBondContact O-N 2.71Å; D54-V56 PolarHBondContact O-N 3.19Å; D54-V56 VanDerWaalsContact O-N 3.14Å; D54-V56 WeakPolarHBondContact OD1-CB 3.46Å; D54-V56 PolarHBondContact OD1-N 2.92Å; D54-I57 HydrophobicContact CB-CB 4.04Å; D54-I57 HydrophobicContact CB-CD1 3.93Å; D54-I57 HydrophobicContact CB-CG1 4.02Å; D54-I57 PolarHBondContact O-N 2.64Å; D54-I57 PolarHBondContact OD1-N 2.76Å; D54-L58 WeakPolarHBondContact O-CG 3.44Å; D54-L58 PolarHBondContact O-N 2.86Å
55	P	98.1	Very high	97.7	Very high	103 Å²	103	72.5 Å²	72.5	67%	0.669	36%	0.364	S	S	*	.	H	α-helix	trans	-55.5	-35.6	-174.1	-28.2	34.6	0	0	0	114.5	E59	P55-E59 WeakPolarHBondContact O-CB 3.44Å; P55-E59 PolarHBondContact O-N 2.81Å
56	V	98.2	Very high	97.6	Very high	88 Å²	88	77.3 Å²	77.3	53%	0.533	39%	0.385	S	S	.	.	H	α-helix	trans	-71.6	-38.8	-179.9	179.7	0	0	0	0	110.2	D54 N60	D54-V56 PolarHBondContact O-N 3.19Å; D54-V56 VanDerWaalsContact O-N 3.14Å; D54-V56 WeakPolarHBondContact OD1-CB 3.46Å; D54-V56 PolarHBondContact OD1-N 2.92Å; V56-N60 WeakPolarHBondContact O-CB 3.43Å; V56-N60 VanDerWaalsContact O-CG 3.24Å; V56-N60 PolarHBondContact O-N 3.46Å; V56-N60 VanDerWaalsContact O-N 3.13Å; V56-N60 PolarHBondContact O-ND2 3.22Å
57	I	97.9	Very high	97.4	Very high	63 Å²	63	75.1 Å²	75.1	32%	0.323	38%	0.382	S	S	.	.	H	α-helix	trans	-66.5	-48.1	176.1	-66.1	178.8	0	0	0	109.9	V48 K52 D54 E59 N60 T61	V48-I57 HydrophobicContact CG1-CG2 4.31Å; K52-I57 HydrophobicContact CD-CD1 4.27Å; K52-I57 HydrophobicContact CG-CD1 3.47Å; K52-I57 VanDerWaalsContact CG-CD1 3.47Å; D54-I57 HydrophobicContact CB-CB 4.04Å; D54-I57 HydrophobicContact CB-CD1 3.93Å; D54-I57 HydrophobicContact CB-CG1 4.02Å; D54-I57 PolarHBondContact O-N 2.64Å; D54-I57 PolarHBondContact OD1-N 2.76Å; I57-E59 PolarHBondContact O-N 3.05Å; I57-N60 PolarHBondContact O-N 3.3Å; I57-T61 WeakPolarHBondContact O-CB 3.46Å; I57-T61 PolarHBondContact O-N 3.49Å; I57-T61 PolarHBondContact O-OG1 3.36Å
58	L	98.4	Very high	97.3	Very high	25 Å²	25	74.4 Å²	74.4	13%	0.131	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-40.3	-178.9	-60.8	-176.9	0	0	0	112.6	V45 V48 K49 D54 N60 T61 A62	V45-L58 HydrophobicContact CG1-CB 4.19Å; V45-L58 HydrophobicContact CG1-CD2 4.22Å; V48-L58 HydrophobicContact CG1-CD2 4.26Å; K49-L58 HydrophobicContact CB-CD1 4.17Å; K49-L58 HydrophobicContact CB-CD2 3.83Å; K49-L58 HydrophobicContact CD-CD1 4.1Å; K49-L58 HydrophobicContact CG-CD1 3.95Å; K49-L58 HydrophobicContact CG-CD2 4.44Å; D54-L58 WeakPolarHBondContact O-CG 3.44Å; D54-L58 PolarHBondContact O-N 2.86Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.08Å; L58-T61 PolarHBondContact O-N 3.39Å; L58-A62 PolarHBondContact O-N 2.73Å; L58-A62 VanDerWaalsContact O-N 3.08Å
59	E	98	Very high	97.1	Very high	107 Å²	107	77.6 Å²	77.6	50%	0.5	40%	0.397	S	S	.	.	H	α-helix	trans	-61.7	-42.7	174.2	-173.3	-173.5	168	0	0	111.6	P55 I57 A62 K63	P55-E59 WeakPolarHBondContact O-CB 3.44Å; P55-E59 PolarHBondContact O-N 2.81Å; I57-E59 PolarHBondContact O-N 3.05Å; E59-A62 PolarHBondContact O-N 3.02Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 2.85Å; E59-K63 VanDerWaalsContact O-N 3.12Å; E59-K63 VanDerWaalsContact OE1-CE 3.27Å; E59-K63 WeakPolarHBondContact OE1-CE 2.75Å; E59-K63 IonicContact OE1-NZ 3.63Å; E59-K63 PolarHBondContact OE1-NZ 3.24Å
60	N	97.6	Very high	96.9	Very high	76 Å²	76	78.6 Å²	78.6	41%	0.406	41%	0.414	S	S	.	.	H	α-helix	trans	-69.5	-38.8	178.1	-73.6	-24.5	0	0	0	112.2	V56 I57 L58 A62 K63 I64	V56-N60 WeakPolarHBondContact O-CB 3.43Å; V56-N60 VanDerWaalsContact O-CG 3.24Å; V56-N60 PolarHBondContact O-N 3.46Å; V56-N60 VanDerWaalsContact O-N 3.13Å; V56-N60 PolarHBondContact O-ND2 3.22Å; I57-N60 PolarHBondContact O-N 3.3Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.08Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 2.91Å; N60-K63 PolarHBondContact O-N 2.95Å; N60-I64 VanDerWaalsContact O-CG1 3.25Å; N60-I64 WeakPolarHBondContact O-CG1 3.21Å; N60-I64 PolarHBondContact O-N 3.37Å
61	T	97.6	Very high	96.9	Very high	14 Å²	14	76.9 Å²	76.9	9%	0.086	41%	0.412	C	S	.	.	H	α-helix	trans	-55.4	-48.5	173.8	-63.9	0	0	0	0	110.7	Y44 V45 V48 I57 L58 K63 I64 N65	Y44-T61 HydrophobicContact CD1-CG2 3.54Å; Y44-T61 HydrophobicContact CE1-CG2 3.33Å; Y44-T61 HydrophobicContact CG-CG2 4.41Å; V45-T61 HydrophobicContact CG2-CG2 3.95Å; V48-T61 HydrophobicContact CB-CG2 4.13Å; V48-T61 HydrophobicContact CG1-CG2 4.46Å; V48-T61 HydrophobicContact CG2-CG2 3.77Å; I57-T61 WeakPolarHBondContact O-CB 3.46Å; I57-T61 PolarHBondContact O-N 3.49Å; I57-T61 PolarHBondContact O-OG1 3.36Å; L58-T61 PolarHBondContact O-N 3.39Å; T61-K63 PolarHBondContact O-N 3.36Å; T61-I64 PolarHBondContact O-N 3.31Å; T61-N65 WeakPolarHBondContact O-CB 3.38Å; T61-N65 PolarHBondContact O-N 3.04Å
62	A	97.6	Very high	96.9	Very high	33 Å²	33	73.1 Å²	73.1	27%	0.273	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-47.2	176.9	0	0	0	0	0	111.9	V45 L58 E59 N60 I64 N65 Q66	V45-A62 HydrophobicContact CG2-CB 3.8Å; L58-A62 PolarHBondContact O-N 2.73Å; L58-A62 VanDerWaalsContact O-N 3.08Å; E59-A62 PolarHBondContact O-N 3.02Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 2.91Å; A62-I64 PolarHBondContact O-N 3.38Å; A62-N65 PolarHBondContact O-N 2.9Å; A62-Q66 WeakPolarHBondContact O-CB 3.2Å; A62-Q66 PolarHBondContact O-N 3.39Å
63	K	97.6	Very high	96.8	Very high	105 Å²	105	71.4 Å²	71.4	46%	0.457	40%	0.4	S	S	.	.	H	α-helix	trans	-62.3	-41.9	179.5	-73.5	173.4	-175.6	167.7	0	113	E59 N60 T61 C67	E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 2.85Å; E59-K63 VanDerWaalsContact O-N 3.12Å; E59-K63 VanDerWaalsContact OE1-CE 3.27Å; E59-K63 WeakPolarHBondContact OE1-CE 2.75Å; E59-K63 IonicContact OE1-NZ 3.63Å; E59-K63 PolarHBondContact OE1-NZ 3.24Å; N60-K63 PolarHBondContact O-N 2.95Å; T61-K63 PolarHBondContact O-N 3.36Å; K63-C67 PolarHBondContact O-N 3.45Å
64	I	96.4	Very high	96.7	Very high	96 Å²	96	73.8 Å²	73.8	49%	0.492	41%	0.407	S	S	.	.	H	α-helix	trans	-67.1	-44.7	179.3	-66.2	167.1	0	0	0	109.6	F36 N60 T61 A62 C67 V68	F36-I64 HydrophobicContact CE2-CG2 3.73Å; F36-I64 HydrophobicContact CZ-CG2 3.85Å; N60-I64 VanDerWaalsContact O-CG1 3.25Å; N60-I64 WeakPolarHBondContact O-CG1 3.21Å; N60-I64 PolarHBondContact O-N 3.37Å; T61-I64 PolarHBondContact O-N 3.31Å; A62-I64 PolarHBondContact O-N 3.38Å; I64-C67 VanDerWaalsContact O-CB 3.26Å; I64-C67 WeakPolarHBondContact O-CB 3.47Å; I64-C67 PolarHBondContact O-N 3.34Å; I64-C67 VanDerWaalsContact O-N 3.13Å; I64-V68 WeakPolarHBondContact O-CG2 3.3Å; I64-V68 PolarHBondContact O-N 2.99Å
65	N	96.2	Very high	96.5	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-66.7	-37.6	178.3	174.4	-104.2	0	0	0	112	F36 S41 Y44 T61 A62 C67 V68 D69	F36-N65 HydrophobicContact CD2-CB 4.46Å; F36-N65 PolarHBondContact O-ND2 3.31Å; S41-N65 WeakPolarHBondContact CA-OD1 3.47Å; S41-N65 WeakPolarHBondContact CB-OD1 3.28Å; S41-N65 PolarHBondContact N-OD1 2.88Å; S41-N65 PolarHBondContact OG-OD1 3.45Å; S41-N65 VanDerWaalsContact OG-OD1 3.14Å; Y44-N65 HydrophobicContact CD1-CB 3.71Å; Y44-N65 HydrophobicContact CE1-CB 4.14Å; T61-N65 WeakPolarHBondContact O-CB 3.38Å; T61-N65 PolarHBondContact O-N 3.04Å; A62-N65 PolarHBondContact O-N 2.9Å; N65-C67 VanDerWaalsContact C-N 3.27Å; N65-C67 PolarHBondContact O-N 3.41Å; N65-V68 WeakPolarHBondContact O-CA 3.37Å; N65-V68 WeakPolarHBondContact O-CB 3.37Å; N65-V68 PolarHBondContact O-N 2.92Å; N65-V68 VanDerWaalsContact O-N 3.08Å; N65-D69 PolarHBondContact O-N 3.44Å
66	Q	95.8	Very high	96.5	Very high	131 Å²	131	75.7 Å²	75.7	61%	0.612	41%	0.406	S	S	*	.	H	α-helix	trans	-58.8	-38.9	170.1	-174.1	-176.9	3.3	0	0	112.4	A62 V68 D69 S70	A62-Q66 WeakPolarHBondContact O-CB 3.2Å; A62-Q66 PolarHBondContact O-N 3.39Å; Q66-V68 VanDerWaalsContact C-N 3.35Å; Q66-D69 PolarHBondContact O-N 3.43Å; Q66-S70 WeakPolarHBondContact O-CB 3.34Å; Q66-S70 PolarHBondContact O-N 2.89Å; Q66-S70 PolarHBondContact O-OG 2.89Å
67	C	95.7	Very high	96.3	Very high	73 Å²	73	73 Å²	73	49%	0.493	39%	0.387	S	S	.	.	H	α-helix	trans	-61.6	-45.2	174.7	-176.6	0	0	0	0	111	K63 I64 N65 S70 T71	K63-C67 PolarHBondContact O-N 3.45Å; I64-C67 VanDerWaalsContact O-CB 3.26Å; I64-C67 WeakPolarHBondContact O-CB 3.47Å; I64-C67 PolarHBondContact O-N 3.34Å; I64-C67 VanDerWaalsContact O-N 3.13Å; N65-C67 VanDerWaalsContact C-N 3.27Å; N65-C67 PolarHBondContact O-N 3.41Å; C67-S70 PolarHBondContact O-N 3.34Å; C67-S70 PolarHBondContact O-OG 3.32Å; C67-T71 WeakPolarHBondContact O-CB 3.43Å; C67-T71 PolarHBondContact O-N 2.96Å; C67-T71 PolarHBondContact O-OG1 3.19Å
68	V	94.8	Very high	96.1	Very high	16 Å²	16	74 Å²	74	10%	0.097	40%	0.397	C	S	.	.	H	α-helix	trans	-57.3	-52.5	175.5	170.6	0	0	0	0	110.9	F36 L37 I64 N65 Q66 S70 T71 L72	F36-V68 HydrophobicContact CE1-CG2 3.79Å; F36-V68 HydrophobicContact CE2-CG2 3.81Å; F36-V68 HydrophobicContact CZ-CG2 3.34Å; L37-V68 HydrophobicContact CD2-CG1 4.42Å; I64-V68 WeakPolarHBondContact O-CG2 3.3Å; I64-V68 PolarHBondContact O-N 2.99Å; N65-V68 WeakPolarHBondContact O-CA 3.37Å; N65-V68 WeakPolarHBondContact O-CB 3.37Å; N65-V68 PolarHBondContact O-N 2.92Å; N65-V68 VanDerWaalsContact O-N 3.08Å; Q66-V68 VanDerWaalsContact C-N 3.35Å; V68-S70 PolarHBondContact O-N 2.87Å; V68-T71 PolarHBondContact O-N 2.79Å; V68-L72 HydrophobicContact CG1-CB 4.44Å; V68-L72 HydrophobicContact CG1-CD1 3.78Å; V68-L72 HydrophobicContact CG1-CG 4.05Å; V68-L72 PolarHBondContact O-N 2.89Å
69	D	93.4	Very high	96	Very high	84 Å²	84	77.8 Å²	77.8	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-34.9	-179.1	-67.2	-10.4	0	0	0	112.3	N65 Q66	N65-D69 PolarHBondContact O-N 3.44Å; Q66-D69 PolarHBondContact O-N 3.43Å
70	S	95.4	Very high	95.8	Very high	96 Å²	96	75.2 Å²	75.2	67%	0.671	41%	0.405	S	S	*	.	H	α-helix	trans	-80.8	-18	179	71.3	0	0	0	0	114.4	Q66 C67 V68	Q66-S70 WeakPolarHBondContact O-CB 3.34Å; Q66-S70 PolarHBondContact O-N 2.89Å; Q66-S70 PolarHBondContact O-OG 2.89Å; C67-S70 PolarHBondContact O-N 3.34Å; C67-S70 PolarHBondContact O-OG 3.32Å; V68-S70 PolarHBondContact O-N 2.87Å
71	T	96.9	Very high	95.5	Very high	90 Å²	90	74.7 Å²	74.7	55%	0.552	41%	0.405	S	S	*	.	H	α-helix	trans	-113.4	-45.3	-169.2	-55.6	0	0	0	0	112.8	C67 V68	C67-T71 WeakPolarHBondContact O-CB 3.43Å; C67-T71 PolarHBondContact O-N 2.96Å; C67-T71 PolarHBondContact O-OG1 3.19Å; V68-T71 PolarHBondContact O-N 2.79Å
72	L	95.8	Very high	95.4	Very high	61 Å²	61	77.3 Å²	77.3	32%	0.319	42%	0.421	S	S	.	.			trans	-81.5	134.9	-174.9	-60.6	-163.6	0	0	0	110.3	L37 V68 D76 M77	L37-L72 HydrophobicContact CD2-CD1 4.06Å; V68-L72 HydrophobicContact CG1-CB 4.44Å; V68-L72 HydrophobicContact CG1-CD1 3.78Å; V68-L72 HydrophobicContact CG1-CG 4.05Å; V68-L72 PolarHBondContact O-N 2.89Å; L72-D76 HydrophobicContact CB-CB 4.25Å; L72-D76 HydrophobicContact CD2-CB 4.37Å; L72-M77 HydrophobicContact CB-CG 4.18Å
73	T	95.9	Very high	95.1	Very high	74 Å²	74	81.7 Å²	81.7	45%	0.454	43%	0.434	S	S	.	.			trans	-84	162	172	68.2	0	0	0	0	110.5	K75 D76 M77	T73-K75 PolarHBondContact O-N 3.2Å; T73-K75 PolarHBondContact OG1-N 3.13Å; T73-D76 WeakPolarHBondContact CB-OD2 3.41Å; T73-D76 PolarHBondContact N-OD2 3.32Å; T73-D76 WeakPolarHBondContact O-CB 3.19Å; T73-D76 PolarHBondContact O-N 3.22Å; T73-D76 VanDerWaalsContact OG1-CG 3.29Å; T73-D76 PolarHBondContact OG1-N 3.18Å; T73-D76 PolarHBondContact OG1-OD2 3.46Å; T73-M77 WeakPolarHBondContact O-CG 3.44Å; T73-M77 PolarHBondContact O-N 2.91Å; T73-M77 VanDerWaalsContact O-N 3.12Å
74	E	94	Very high	94.8	Very high	160 Å²	160	78.6 Å²	78.6	75%	0.748	42%	0.422	S	S	*	.	H	α-helix	trans	-51.5	-33.1	170.8	-67.1	-178.7	177.5	0	0	112.9	M77 T78	E74-M77 HydrophobicContact CB-CE 4.35Å; E74-M77 HydrophobicContact CG-CE 4.09Å; E74-T78 VanDerWaalsContact O-CB 3.3Å; E74-T78 WeakPolarHBondContact O-CB 3.27Å; E74-T78 PolarHBondContact O-N 3.48Å; E74-T78 PolarHBondContact O-OG1 3.31Å
75	K	96	Very high	94.4	Very high	136 Å²	136	79.4 Å²	79.4	59%	0.591	42%	0.422	S	S	*	.	H	α-helix	trans	-66	-42.8	176.4	-178.5	173.6	178.3	166.5	0	112	T73 T78 H79	T73-K75 PolarHBondContact O-N 3.2Å; T73-K75 PolarHBondContact OG1-N 3.13Å; K75-T78 PolarHBondContact O-N 3.04Å; K75-H79 WeakPolarHBondContact CE-CE1 3.29Å; K75-H79 WeakPolarHBondContact O-CB 3.41Å; K75-H79 PolarHBondContact O-N 3.2Å
76	D	96.3	Very high	94.1	Very high	62 Å²	62	86.5 Å²	86.5	33%	0.332	45%	0.453	S	S	.	.	H	α-helix	trans	-65.8	-41.6	179.2	-57.5	-49.6	0	0	0	111	L72 T73 H79 T80	L72-D76 HydrophobicContact CB-CB 4.25Å; L72-D76 HydrophobicContact CD2-CB 4.37Å; T73-D76 WeakPolarHBondContact CB-OD2 3.41Å; T73-D76 PolarHBondContact N-OD2 3.32Å; T73-D76 WeakPolarHBondContact O-CB 3.19Å; T73-D76 PolarHBondContact O-N 3.22Å; T73-D76 VanDerWaalsContact OG1-CG 3.29Å; T73-D76 PolarHBondContact OG1-N 3.18Å; T73-D76 PolarHBondContact OG1-OD2 3.46Å; D76-H79 PolarHBondContact O-N 3.29Å; D76-T80 WeakPolarHBondContact O-CB 3.48Å; D76-T80 PolarHBondContact O-N 3.4Å; D76-T80 PolarHBondContact O-OG1 3.11Å
77	M	94	Very high	93.6	Very high	30 Å²	30	82.6 Å²	82.6	15%	0.148	44%	0.436	C	S	.	.	H	α-helix	trans	-65.1	-43.5	176.7	-59.5	-174.5	-65.3	0	0	111.5	L72 T73 E74 T80 T81	L72-M77 HydrophobicContact CB-CG 4.18Å; T73-M77 WeakPolarHBondContact O-CG 3.44Å; T73-M77 PolarHBondContact O-N 2.91Å; T73-M77 VanDerWaalsContact O-N 3.12Å; E74-M77 HydrophobicContact CB-CE 4.35Å; E74-M77 HydrophobicContact CG-CE 4.09Å; M77-T80 PolarHBondContact O-N 3.33Å; M77-T81 WeakPolarHBondContact O-CB 3.42Å; M77-T81 PolarHBondContact O-N 2.96Å; M77-T81 PolarHBondContact O-OG1 2.8Å
78	T	94.6	Very high	93.1	Very high	84 Å²	84	82 Å²	82	52%	0.515	43%	0.426	S	S	.	.	H	α-helix	trans	-64.5	-43.5	176.9	-61.2	0	0	0	0	111.9	E74 K75 T80 T81 T82	E74-T78 VanDerWaalsContact O-CB 3.3Å; E74-T78 WeakPolarHBondContact O-CB 3.27Å; E74-T78 PolarHBondContact O-N 3.48Å; E74-T78 PolarHBondContact O-OG1 3.31Å; K75-T78 PolarHBondContact O-N 3.04Å; T78-T80 VanDerWaalsContact C-N 3.34Å; T78-T80 PolarHBondContact O-N 2.96Å; T78-T81 PolarHBondContact O-N 3.36Å; T78-T82 WeakPolarHBondContact O-CB 3.43Å; T78-T82 PolarHBondContact O-N 3.28Å; T78-T82 PolarHBondContact O-OG1 3.02Å
79	H	96.1	Very high	92.6	Very high	106 Å²	106	86.1 Å²	86.1	49%	0.491	45%	0.447	S	S	.	.	H	α-helix	trans	-61.9	-43.1	176.9	-75.7	177.8	0	0	0	111.7	K75 D76 T82 F83	K75-H79 WeakPolarHBondContact CE-CE1 3.29Å; K75-H79 WeakPolarHBondContact O-CB 3.41Å; K75-H79 PolarHBondContact O-N 3.2Å; D76-H79 PolarHBondContact O-N 3.29Å; H79-T82 PolarHBondContact O-N 3.17Å; H79-F83 WeakPolarHBondContact O-CB 3.45Å; H79-F83 PolarHBondContact O-N 3.48Å
80	T	93.5	Very high	92	Very high	53 Å²	53	83.9 Å²	83.9	33%	0.325	44%	0.438	S	S	.	.	H	α-helix	trans	-63.5	-46.9	177.5	-55.8	0	0	0	0	110.9	L37 D76 M77 T78 T82 F83 L84	L37-T80 HydrophobicContact CD1-CG2 3.59Å; D76-T80 WeakPolarHBondContact O-CB 3.48Å; D76-T80 PolarHBondContact O-N 3.4Å; D76-T80 PolarHBondContact O-OG1 3.11Å; M77-T80 PolarHBondContact O-N 3.33Å; T78-T80 VanDerWaalsContact C-N 3.34Å; T78-T80 PolarHBondContact O-N 2.96Å; T80-T82 VanDerWaalsContact C-N 3.3Å; T80-T82 PolarHBondContact O-N 3.1Å; T80-F83 WeakPolarHBondContact O-CB 3.49Å; T80-F83 PolarHBondContact O-N 3.41Å; T80-F83 VanDerWaalsContact O-N 3.11Å; T80-L84 HydrophobicContact CG2-CD1 4.41Å; T80-L84 WeakPolarHBondContact O-CG 3.48Å; T80-L84 PolarHBondContact O-N 3.33Å
81	T	92.6	Very high	90.9	Very high	65 Å²	65	87.7 Å²	87.7	40%	0.399	45%	0.45	S	S	.	.	H	α-helix	trans	-60.4	-40.7	176.5	-55.7	0	0	0	0	111.8	M77 T78 F83 L84 K85	M77-T81 WeakPolarHBondContact O-CB 3.42Å; M77-T81 PolarHBondContact O-N 2.96Å; M77-T81 PolarHBondContact O-OG1 2.8Å; T78-T81 PolarHBondContact O-N 3.36Å; T81-F83 VanDerWaalsContact C-N 3.34Å; T81-F83 PolarHBondContact O-N 2.85Å; T81-L84 PolarHBondContact O-N 2.89Å; T81-K85 PolarHBondContact O-N 3.49Å
82	T	94	Very high	89.8	Confident	68 Å²	68	91.4 Å²	91.4	42%	0.417	47%	0.466	S	S	.	.	H	α-helix	trans	-64.7	-38.7	176	-59.3	0	0	0	0	111.8	T78 H79 T80 K86	T78-T82 WeakPolarHBondContact O-CB 3.43Å; T78-T82 PolarHBondContact O-N 3.28Å; T78-T82 PolarHBondContact O-OG1 3.02Å; H79-T82 PolarHBondContact O-N 3.17Å; T80-T82 VanDerWaalsContact C-N 3.3Å; T80-T82 PolarHBondContact O-N 3.1Å; T82-K86 WeakPolarHBondContact O-CG 3.4Å; T82-K86 PolarHBondContact O-N 3.01Å
83	F	92.2	Very high	88.4	Confident	125 Å²	125	92 Å²	92	55%	0.548	47%	0.474	S	S	.	.	H	α-helix	trans	-64.4	-46.5	175.8	171.3	-104.8	0	0	0	111.8	H79 T80 T81 K85 K86 I87	H79-F83 WeakPolarHBondContact O-CB 3.45Å; H79-F83 PolarHBondContact O-N 3.48Å; T80-F83 WeakPolarHBondContact O-CB 3.49Å; T80-F83 PolarHBondContact O-N 3.41Å; T80-F83 VanDerWaalsContact O-N 3.11Å; T81-F83 VanDerWaalsContact C-N 3.34Å; T81-F83 PolarHBondContact O-N 2.85Å; F83-K85 VanDerWaalsContact C-N 3.31Å; F83-K85 PolarHBondContact O-N 2.9Å; F83-K86 WeakPolarHBondContact O-CB 3.49Å; F83-K86 PolarHBondContact O-N 2.8Å; F83-K86 VanDerWaalsContact O-N 3.1Å; F83-I87 HydrophobicContact CD1-CD1 4.1Å; F83-I87 HydrophobicContact CE1-CD1 3.47Å; F83-I87 VanDerWaalsContact CE1-CD1 3.47Å; F83-I87 HydrophobicContact CE2-CD1 4.23Å; F83-I87 HydrophobicContact CZ-CD1 3.56Å; F83-I87 HydrophobicContact CZ-CG1 4.33Å; F83-I87 PolarHBondContact O-N 3.45Å
84	L	90.1	Very high	88	Confident	41 Å²	41	92.9 Å²	92.9	22%	0.215	48%	0.475	C	S	.	.	H	α-helix	trans	-60	-43.2	176.6	-63.2	168.4	0	0	0	111.3	I25 V33 T80 T81 K86 I87 E88	I25-L84 HydrophobicContact CD1-CB 3.98Å; I25-L84 HydrophobicContact CD1-CD2 3.66Å; I25-L84 HydrophobicContact CD1-CG 4.37Å; V33-L84 HydrophobicContact CB-CD1 4.23Å; V33-L84 HydrophobicContact CG1-CD1 3.44Å; V33-L84 VanDerWaalsContact CG1-CD1 3.44Å; T80-L84 HydrophobicContact CG2-CD1 4.41Å; T80-L84 WeakPolarHBondContact O-CG 3.48Å; T80-L84 PolarHBondContact O-N 3.33Å; T81-L84 PolarHBondContact O-N 2.89Å; L84-K86 VanDerWaalsContact C-N 3.27Å; L84-K86 PolarHBondContact O-N 3.41Å; L84-I87 WeakPolarHBondContact O-CB 3.42Å; L84-I87 PolarHBondContact O-N 2.91Å; L84-E88 WeakPolarHBondContact O-CG 3.39Å; L84-E88 PolarHBondContact O-N 2.92Å
85	K	89.3	Confident	87.7	Confident	112 Å²	112	89.4 Å²	89.4	49%	0.487	46%	0.461	S	S	.	.	H	α-helix	trans	-57.6	-38.4	175.3	-179.7	165.8	174.5	43.3	0	112.7	T81 F83 I87 E88 D89	T81-K85 PolarHBondContact O-N 3.49Å; F83-K85 VanDerWaalsContact C-N 3.31Å; F83-K85 PolarHBondContact O-N 2.9Å; K85-I87 VanDerWaalsContact C-N 3.32Å; K85-I87 PolarHBondContact O-N 3.43Å; K85-E88 PolarHBondContact O-N 3.12Å; K85-D89 WeakPolarHBondContact CE-OD2 3.3Å; K85-D89 WeakPolarHBondContact CG-OD2 3.38Å; K85-D89 IonicContact NZ-OD1 3.28Å; K85-D89 PolarHBondContact NZ-OD1 2.93Å; K85-D89 IonicContact NZ-OD2 2.8Å; K85-D89 PolarHBondContact NZ-OD2 3.46Å; K85-D89 WeakPolarHBondContact O-CB 3.36Å; K85-D89 PolarHBondContact O-N 2.92Å
86	K	89.8	Confident	87.2	Confident	149 Å²	149	86.8 Å²	86.8	65%	0.648	45%	0.454	S	S	*	.	H	α-helix	trans	-66.8	-32.9	176.2	-72.2	176.4	178.6	-178.7	0	112.9	T82 F83 L84 S90	T82-K86 WeakPolarHBondContact O-CG 3.4Å; T82-K86 PolarHBondContact O-N 3.01Å; F83-K86 WeakPolarHBondContact O-CB 3.49Å; F83-K86 PolarHBondContact O-N 2.8Å; F83-K86 VanDerWaalsContact O-N 3.1Å; L84-K86 VanDerWaalsContact C-N 3.27Å; L84-K86 PolarHBondContact O-N 3.41Å; K86-S90 WeakPolarHBondContact O-CB 3.43Å; K86-S90 PolarHBondContact O-N 3.06Å
87	I	85.8	Confident	86.7	Confident	50 Å²	50	88.2 Å²	88.2	26%	0.256	46%	0.461	S	S	.	.	H	α-helix	trans	-68.5	-45.6	173.8	-66.4	172.4	0	0	0	109.5	I25 F83 L84 K85 D89 S90 C93	I25-I87 HydrophobicContact CD1-CG2 4.46Å; I25-I87 HydrophobicContact CG1-CG2 4.19Å; F83-I87 HydrophobicContact CD1-CD1 4.1Å; F83-I87 HydrophobicContact CE1-CD1 3.47Å; F83-I87 VanDerWaalsContact CE1-CD1 3.47Å; F83-I87 HydrophobicContact CE2-CD1 4.23Å; F83-I87 HydrophobicContact CZ-CD1 3.56Å; F83-I87 HydrophobicContact CZ-CG1 4.33Å; F83-I87 PolarHBondContact O-N 3.45Å; L84-I87 WeakPolarHBondContact O-CB 3.42Å; L84-I87 PolarHBondContact O-N 2.91Å; K85-I87 VanDerWaalsContact C-N 3.32Å; K85-I87 PolarHBondContact O-N 3.43Å; I87-D89 PolarHBondContact O-N 3.36Å; I87-S90 VanDerWaalsContact O-CB 3.29Å; I87-S90 WeakPolarHBondContact O-CB 3.37Å; I87-S90 PolarHBondContact O-N 3.18Å; I87-C93 HydrophobicContact CG2-CB 4.05Å; I87-C93 WeakPolarHBondContact O-CB 3.27Å
88	E	83.9	Confident	86.2	Confident	59 Å²	59	91.9 Å²	91.9	28%	0.276	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-38.6	178.7	-66.4	-177	150.3	0	0	113.2	I25 K30 L84 K85 S90	I25-E88 HydrophobicContact CB-CG 4.43Å; I25-E88 HydrophobicContact CD1-CG 4.01Å; I25-E88 HydrophobicContact CG1-CG 4.16Å; K30-E88 WeakPolarHBondContact CD-OE1 3.49Å; K30-E88 WeakPolarHBondContact CE-OE1 3.46Å; K30-E88 IonicContact NZ-OE1 2.73Å; K30-E88 PolarHBondContact NZ-OE1 2.65Å; K30-E88 IonicContact NZ-OE2 2.63Å; K30-E88 PolarHBondContact NZ-OE2 2.87Å; L84-E88 WeakPolarHBondContact O-CG 3.39Å; L84-E88 PolarHBondContact O-N 2.92Å; K85-E88 PolarHBondContact O-N 3.12Å; E88-S90 PolarHBondContact O-N 2.77Å
89	D	84.7	Confident	85.6	Confident	104 Å²	104	92.4 Å²	92.4	56%	0.556	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-4.6	179.4	-65	-22.4	0	0	0	112.2	K85 I87	K85-D89 WeakPolarHBondContact CE-OD2 3.3Å; K85-D89 WeakPolarHBondContact CG-OD2 3.38Å; K85-D89 IonicContact NZ-OD1 3.28Å; K85-D89 PolarHBondContact NZ-OD1 2.93Å; K85-D89 IonicContact NZ-OD2 2.8Å; K85-D89 PolarHBondContact NZ-OD2 3.46Å; K85-D89 WeakPolarHBondContact O-CB 3.36Å; K85-D89 PolarHBondContact O-N 2.92Å; I87-D89 PolarHBondContact O-N 3.36Å
90	S	81.1	Confident	84.9	Confident	37 Å²	37	91.4 Å²	91.4	26%	0.259	48%	0.477	S	S	.	.			trans	-80.1	120.8	-178.3	174.1	0	0	0	0	111.1	K86 I87 E88 L92 C93	K86-S90 WeakPolarHBondContact O-CB 3.43Å; K86-S90 PolarHBondContact O-N 3.06Å; I87-S90 VanDerWaalsContact O-CB 3.29Å; I87-S90 WeakPolarHBondContact O-CB 3.37Å; I87-S90 PolarHBondContact O-N 3.18Å; E88-S90 PolarHBondContact O-N 2.77Å; S90-L92 PolarHBondContact O-N 3.26Å; S90-L92 VanDerWaalsContact O-N 3.13Å; S90-L92 PolarHBondContact OG-N 3.44Å; S90-C93 PolarHBondContact O-N 3Å; S90-C93 PolarHBondContact OG-N 3.01Å
91	L	72.1	Confident	84.2	Confident	176 Å²	176	94.4 Å²	94.4	92%	0.921	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-12	172	-62.6	176.5	0	0	0	113.9
92	L	73.7	Confident	83.5	Confident	167 Å²	167	96.8 Å²	96.8	87%	0.874	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-13.9	-179.9	-59.5	-179.9	0	0	0	112.8	S90	S90-L92 PolarHBondContact O-N 3.26Å; S90-L92 VanDerWaalsContact O-N 3.13Å; S90-L92 PolarHBondContact OG-N 3.44Å
93	C	65.9	Low	82.6	Confident	74 Å²	74	99.5 Å²	99.5	50%	0.5	50%	0.504	S	S	.	.			trans	-94.3	0	176.6	-72.2	0	0	0	0	108	C23 I87 S90	C23-C93 CarbonylContact C-O 3.59Å; C23-C93 VanDerWaalsContact CB-C 3.42Å; C23-C93 WeakPolarHBondContact CB-O 3.25Å; C23-C93 WeakPolarHBondContact CB-OXT 3.39Å; C23-C93 CarbonylContact O-C 3.38Å; I87-C93 HydrophobicContact CG2-CB 4.05Å; I87-C93 WeakPolarHBondContact O-CB 3.27Å; S90-C93 PolarHBondContact O-N 3Å; S90-C93 PolarHBondContact OG-N 3.01Å

Retrieved 93 of 93 residues in 399.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).