ATPF_STAA8 Loading...

ATP synthase subunit b

F(1)F(0) ATP synthase produces ATP from ADP in the presence of a proton or sodium gradient. F-type ATPases consist of two structural domains, F(1) containing the extramembraneous catalytic core and F(0) containing the membrane proton channel, linked together by a central stalk and a peripheral stalk. During catalysis, ATP synthesis in the catalytic domain of F(1) is coupled via a rotary mechanism of the central stalk subunits to proton translocation. Component of the F(0) channel, it forms part of the peripheral stalk, linking F(1) to F(0).

AlphaFold DB , UniProt , Accession Q2G2F8, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene atpF, Length 173 aa.

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	38.1	Very low	41.1	Very low	242 Å²	242	151 Å²	151	100%	1.192	85%	0.852	S	S	*	*				0	82.1	0	-64.3	-169.1	-64.9	0	0	108
2	T	39.9	Very low	41	Very low	140 Å²	140	146.4 Å²	146.4	86%	0.859	85%	0.847	S	S	*	*			trans	-73.3	106.6	156.4	39.6	0	0	0	0	106.5
3	E	37.1	Very low	41.3	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	85%	0.847	S	S	*	*			trans	164.7	95.7	157.5	-97.4	178.8	-178.5	0	0	109.1
4	T	42.1	Very low	42.2	Very low	148 Å²	148	139.6 Å²	139.6	91%	0.908	86%	0.856	S	S	*	*	S	Bend	trans	-156.7	74.2	135.4	34.9	0	0	0	0	107.9
5	A	41	Very low	43	Very low	73 Å²	73	134.1 Å²	134.1	60%	0.603	84%	0.838	S	S	*	*			trans	51.1	105.5	140.8	0	0	0	0	0	118	L7	A5-L7 HydrophobicContact CB-CB 3.87Å; A5-L7 PolarHBondContact O-N 3.42Å
6	N	41.5	Very low	44.5	Very low	165 Å²	165	132.1 Å²	132.1	88%	0.882	82%	0.824	S	S	*	*			trans	-54.7	62.5	140	-77.5	-25.9	0	0	0	110.8	F8	N6-F8 PolarHBondContact O-N 2.86Å
7	L	45.1	Very low	46.2	Very low	141 Å²	141	131.9 Å²	131.9	74%	0.738	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-2.3	-172.7	-163.2	58.6	0	0	0	113.6	A5	A5-L7 HydrophobicContact CB-CB 3.87Å; A5-L7 PolarHBondContact O-N 3.42Å
8	F	48.4	Very low	48.1	Very low	183 Å²	183	135.9 Å²	135.9	80%	0.803	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	11.2	-174.6	-85.4	-78.7	0	0	0	115.4	N6	N6-F8 PolarHBondContact O-N 2.86Å
9	V	42	Very low	50	Low	132 Å²	132	131.1 Å²	131.1	80%	0.8	79%	0.791	S	S	*	*			trans	-139.4	49.8	179.3	-160.3	0	0	0	0	113.2
10	L	39.1	Very low	51.8	Low	172 Å²	172	128.1 Å²	128.1	90%	0.901	77%	0.773	S	S	*	*			trans	-122.5	125.9	160	-120	93.5	0	0	0	109.6
11	G	37.4	Very low	53.5	Low	79 Å²	79	124.8 Å²	124.8	81%	0.814	75%	0.753	S	S	*	*			trans	-64.6	157.9	-162.8	0	0	0	0	0	115.8
12	A	40.8	Very low	56.1	Low	96 Å²	96	118 Å²	118	79%	0.793	72%	0.721	S	S	*	*			trans	-168	117.7	133.3	0	0	0	0	0	108.7
13	A	43.9	Very low	58.5	Low	103 Å²	103	115.6 Å²	115.6	85%	0.851	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	35.4	102.3	142	0	0	0	0	0	118.9	G15	A13-G15 PolarHBondContact O-N 3.41Å
14	G	54.8	Low	61.1	Low	94 Å²	94	113.5 Å²	113.5	97%	0.969	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.9	-1.8	132.1	0	0	0	0	0	120.2
15	G	54	Low	63.6	Low	57 Å²	57	109.9 Å²	109.9	59%	0.588	67%	0.674	S	S	*	*			trans	-104.8	105.9	174.8	0	0	0	0	0	111.6	A13 E17	A13-G15 PolarHBondContact O-N 3.41Å; G15-E17 VanDerWaalsContact C-N 3.3Å; G15-E17 PolarHBondContact O-N 2.9Å
16	V	66	Low	66.1	Low	102 Å²	102	111.1 Å²	111.1	62%	0.618	67%	0.669	S	S	*	*			trans	-67.7	94.1	166.7	179.5	0	0	0	0	107.6	W18 V21	V16-W18 VanDerWaalsContact C-N 3.33Å; V16-W18 PolarHBondContact O-N 3.42Å; V16-V21 HydrophobicContact CG1-CG2 3.68Å
17	E	73.2	Confident	68.6	Low	130 Å²	130	107.5 Å²	107.5	61%	0.607	65%	0.653	S	S	*	*			trans	-65.3	91.7	170.1	-73.8	-72	147.5	0	0	108.2	G15 G19 T20 V21	G15-E17 VanDerWaalsContact C-N 3.3Å; G15-E17 PolarHBondContact O-N 2.9Å; E17-G19 PolarHBondContact O-N 2.97Å; E17-T20 HydrophobicContact CB-CG2 3.88Å; E17-T20 WeakPolarHBondContact CB-OG1 3.41Å; E17-T20 PolarHBondContact O-N 3.27Å; E17-T20 PolarHBondContact O-OG1 2.88Å; E17-V21 PolarHBondContact O-N 3.43Å
18	W	81.8	Confident	71	Confident	203 Å²	203	106.6 Å²	106.6	77%	0.769	64%	0.644	S	S	*	*	H	α-helix	trans	-48.5	-32.5	-177.5	-70.6	92.2	0	0	0	112.9	V16 V21 I22	V16-W18 VanDerWaalsContact C-N 3.33Å; V16-W18 PolarHBondContact O-N 3.42Å; W18-V21 PolarHBondContact O-N 2.97Å; W18-I22 WeakPolarHBondContact O-CD1 3.16Å; W18-I22 WeakPolarHBondContact O-CG1 3.21Å; W18-I22 PolarHBondContact O-N 3.41Å
19	G	83.2	Confident	73.2	Confident	45 Å²	45	102.3 Å²	102.3	46%	0.464	63%	0.628	S	S	.	*	H	α-helix	trans	-64	-44.4	174.9	0	0	0	0	0	114.1	E17 V21 I22 V23	E17-G19 PolarHBondContact O-N 2.97Å; G19-V21 VanDerWaalsContact C-N 3.35Å; G19-I22 PolarHBondContact O-N 2.94Å; G19-V23 WeakPolarHBondContact O-CG2 3.05Å; G19-V23 PolarHBondContact O-N 3.28Å; G19-V23 VanDerWaalsContact O-N 3.17Å
20	T	86.1	Confident	75.8	Confident	71 Å²	71	100.1 Å²	100.1	44%	0.436	62%	0.615	S	S	.	*	H	α-helix	trans	-66.6	-38.5	176.9	64.1	0	0	0	0	111.4	E17 V23 Q24	E17-T20 HydrophobicContact CB-CG2 3.88Å; E17-T20 WeakPolarHBondContact CB-OG1 3.41Å; E17-T20 PolarHBondContact O-N 3.27Å; E17-T20 PolarHBondContact O-OG1 2.88Å; T20-V23 PolarHBondContact O-N 3.46Å; T20-Q24 VanDerWaalsContact O-CB 3.27Å; T20-Q24 WeakPolarHBondContact O-CB 3.5Å; T20-Q24 PolarHBondContact O-N 3.01Å
21	V	88.7	Confident	78.4	Confident	58 Å²	58	96.2 Å²	96.2	35%	0.352	60%	0.595	S	S	.	*	H	α-helix	trans	-62.5	-44.9	176.3	179.5	0	0	0	0	110.9	V16 E17 W18 G19 Q24 V25	V16-V21 HydrophobicContact CG1-CG2 3.68Å; E17-V21 PolarHBondContact O-N 3.43Å; W18-V21 PolarHBondContact O-N 2.97Å; G19-V21 VanDerWaalsContact C-N 3.35Å; V21-Q24 PolarHBondContact O-N 3.36Å; V21-V25 HydrophobicContact CG1-CG2 4.29Å; V21-V25 WeakPolarHBondContact O-CB 3.49Å; V21-V25 WeakPolarHBondContact O-CG2 3.5Å; V21-V25 PolarHBondContact O-N 2.92Å
22	I	90.9	Very high	81.1	Confident	99 Å²	99	96.4 Å²	96.4	51%	0.508	58%	0.577	S	S	.	*	H	α-helix	trans	-62.2	-46.7	178.8	-69.1	161.7	0	0	0	111.2	W18 G19 Q24 V25 L26	W18-I22 WeakPolarHBondContact O-CD1 3.16Å; W18-I22 WeakPolarHBondContact O-CG1 3.21Å; W18-I22 PolarHBondContact O-N 3.41Å; G19-I22 PolarHBondContact O-N 2.94Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 2.97Å; I22-V25 PolarHBondContact O-N 3.24Å; I22-L26 HydrophobicContact CG2-CD1 4.14Å; I22-L26 WeakPolarHBondContact O-CG 3.47Å; I22-L26 PolarHBondContact O-N 3.47Å
23	V	91.5	Very high	83.6	Confident	90 Å²	90	94.6 Å²	94.6	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-39.6	179.2	175.3	0	0	0	0	111.2	G19 T20 L26 T27	G19-V23 WeakPolarHBondContact O-CG2 3.05Å; G19-V23 PolarHBondContact O-N 3.28Å; G19-V23 VanDerWaalsContact O-N 3.17Å; T20-V23 PolarHBondContact O-N 3.46Å; V23-L26 PolarHBondContact O-N 3.09Å; V23-T27 WeakPolarHBondContact O-CB 3.37Å; V23-T27 PolarHBondContact O-N 2.88Å; V23-T27 PolarHBondContact O-OG1 3.46Å
24	Q	91.2	Very high	86	Confident	142 Å²	142	93.9 Å²	93.9	66%	0.664	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-41.4	176.1	-173.4	163.6	-3.7	0	0	111.8	T20 V21 I22 T27 F28	T20-Q24 VanDerWaalsContact O-CB 3.27Å; T20-Q24 WeakPolarHBondContact O-CB 3.5Å; T20-Q24 PolarHBondContact O-N 3.01Å; V21-Q24 PolarHBondContact O-N 3.36Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 2.97Å; Q24-T27 PolarHBondContact O-N 3.42Å; Q24-F28 VanDerWaalsContact O-CB 3.28Å; Q24-F28 WeakPolarHBondContact O-CB 3.32Å; Q24-F28 PolarHBondContact O-N 3.03Å
25	V	93.9	Very high	87.7	Confident	73 Å²	73	93.5 Å²	93.5	44%	0.442	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-44.2	174.1	169.8	0	0	0	0	111.2	V21 I22 F28 I29	V21-V25 HydrophobicContact CG1-CG2 4.29Å; V21-V25 WeakPolarHBondContact O-CB 3.49Å; V21-V25 WeakPolarHBondContact O-CG2 3.5Å; V21-V25 PolarHBondContact O-N 2.92Å; I22-V25 PolarHBondContact O-N 3.24Å; V25-F28 WeakPolarHBondContact O-CB 3.45Å; V25-F28 PolarHBondContact O-N 3.45Å; V25-I29 HydrophobicContact CG1-CD1 3.84Å; V25-I29 HydrophobicContact CG1-CG1 4.44Å; V25-I29 VanDerWaalsContact O-CG1 3.28Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 2.93Å
26	L	94.8	Very high	89.4	Confident	98 Å²	98	97.2 Å²	97.2	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-61.2	-46.2	175.5	-77.5	171.9	0	0	0	111.9	I22 V23 F28 I29 V30	I22-L26 HydrophobicContact CG2-CD1 4.14Å; I22-L26 WeakPolarHBondContact O-CG 3.47Å; I22-L26 PolarHBondContact O-N 3.47Å; V23-L26 PolarHBondContact O-N 3.09Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 2.84Å; L26-I29 PolarHBondContact O-N 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 3.03Å
27	T	94	Very high	90.5	Very high	89 Å²	89	100.2 Å²	100.2	55%	0.546	52%	0.523	S	S	.	.	H	α-helix	trans	-59.7	-42.9	176.2	-56	0	0	0	0	110.9	V23 Q24 V30 L31	V23-T27 WeakPolarHBondContact O-CB 3.37Å; V23-T27 PolarHBondContact O-N 2.88Å; V23-T27 PolarHBondContact O-OG1 3.46Å; Q24-T27 PolarHBondContact O-N 3.42Å; T27-V30 PolarHBondContact O-N 2.74Å; T27-L31 WeakPolarHBondContact O-CB 3.46Å; T27-L31 PolarHBondContact O-N 2.92Å
28	F	94.6	Very high	91.4	Very high	122 Å²	122	101 Å²	101	54%	0.535	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-42.1	175.8	-172.9	-108.4	0	0	0	112.1	Q24 V25 L26 L31 L32	Q24-F28 VanDerWaalsContact O-CB 3.28Å; Q24-F28 WeakPolarHBondContact O-CB 3.32Å; Q24-F28 PolarHBondContact O-N 3.03Å; V25-F28 WeakPolarHBondContact O-CB 3.45Å; V25-F28 PolarHBondContact O-N 3.45Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 2.84Å; F28-L31 PolarHBondContact O-N 3.22Å; F28-L32 HydrophobicContact CD1-CD1 3.86Å; F28-L32 HydrophobicContact CD1-CG 4.37Å; F28-L32 HydrophobicContact CE1-CD1 3.52Å; F28-L32 HydrophobicContact CE1-CG 4.15Å; F28-L32 HydrophobicContact CZ-CD1 4.07Å; F28-L32 HydrophobicContact CZ-CD2 4.38Å; F28-L32 HydrophobicContact CZ-CG 4.31Å; F28-L32 WeakPolarHBondContact O-CB 3.44Å; F28-L32 VanDerWaalsContact O-CG 3.32Å; F28-L32 WeakPolarHBondContact O-CG 3.44Å; F28-L32 PolarHBondContact O-N 3.5Å
29	I	95.9	Very high	91.9	Very high	93 Å²	93	93.4 Å²	93.4	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-43.5	174.7	-70	166.2	0	0	0	111.3	V25 L26 L32 A33	V25-I29 HydrophobicContact CG1-CD1 3.84Å; V25-I29 HydrophobicContact CG1-CG1 4.44Å; V25-I29 VanDerWaalsContact O-CG1 3.28Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 2.93Å; L26-I29 PolarHBondContact O-N 3.25Å; I29-L32 PolarHBondContact O-N 3.19Å; I29-A33 WeakPolarHBondContact O-CB 3.19Å; I29-A33 PolarHBondContact O-N 3.04Å
30	V	95.3	Very high	92.2	Very high	86 Å²	86	99 Å²	99	52%	0.521	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-44.4	177	171.9	0	0	0	0	110.7	L26 T27 L32 A33 L34	L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 3.03Å; T27-V30 PolarHBondContact O-N 2.74Å; V30-L32 PolarHBondContact O-N 3.27Å; V30-A33 PolarHBondContact O-N 3.39Å; V30-L34 HydrophobicContact CG1-CD1 4.28Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3.39Å
31	L	94	Very high	92.3	Very high	91 Å²	91	97.6 Å²	97.6	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-58.8	-47.4	174.5	-177.8	68.1	0	0	0	111.3	T27 F28 A33 L34 L35	T27-L31 WeakPolarHBondContact O-CB 3.46Å; T27-L31 PolarHBondContact O-N 2.92Å; F28-L31 PolarHBondContact O-N 3.22Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.11Å; L31-L34 PolarHBondContact O-N 3.14Å; L31-L35 HydrophobicContact CG-CD1 4.25Å; L31-L35 WeakPolarHBondContact O-CG 3.36Å; L31-L35 PolarHBondContact O-N 2.92Å
32	L	93.8	Very high	92.3	Very high	83 Å²	83	98.5 Å²	98.5	44%	0.435	52%	0.519	S	S	.	.	H	α-helix	trans	-60.8	-39	176	-73.3	180	0	0	0	112.2	F28 I29 V30 K36	F28-L32 HydrophobicContact CD1-CD1 3.86Å; F28-L32 HydrophobicContact CD1-CG 4.37Å; F28-L32 HydrophobicContact CE1-CD1 3.52Å; F28-L32 HydrophobicContact CE1-CG 4.15Å; F28-L32 HydrophobicContact CZ-CD1 4.07Å; F28-L32 HydrophobicContact CZ-CD2 4.38Å; F28-L32 HydrophobicContact CZ-CG 4.31Å; F28-L32 WeakPolarHBondContact O-CB 3.44Å; F28-L32 VanDerWaalsContact O-CG 3.32Å; F28-L32 WeakPolarHBondContact O-CG 3.44Å; F28-L32 PolarHBondContact O-N 3.5Å; I29-L32 PolarHBondContact O-N 3.19Å; V30-L32 PolarHBondContact O-N 3.27Å; L32-K36 WeakPolarHBondContact O-CB 3.29Å; L32-K36 PolarHBondContact O-N 3.43Å
33	A	93.6	Very high	92.4	Very high	57 Å²	57	98.8 Å²	98.8	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-66.6	-40.3	176.3	0	0	0	0	0	112.2	I29 V30 L31 K36 K37	I29-A33 WeakPolarHBondContact O-CB 3.19Å; I29-A33 PolarHBondContact O-N 3.04Å; V30-A33 PolarHBondContact O-N 3.39Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.11Å; A33-K36 PolarHBondContact O-N 2.97Å; A33-K37 WeakPolarHBondContact O-CB 3.37Å; A33-K37 PolarHBondContact O-N 3.35Å
34	L	93.8	Very high	92.4	Very high	88 Å²	88	100.8 Å²	100.8	46%	0.461	52%	0.522	S	S	.	.	H	α-helix	trans	-65.9	-45.7	174.5	-72	175.1	0	0	0	111.4	V30 L31 K36 K37 F38	V30-L34 HydrophobicContact CG1-CD1 4.28Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3.39Å; L31-L34 PolarHBondContact O-N 3.14Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.4Å; L34-K37 PolarHBondContact O-N 3.48Å; L34-F38 HydrophobicContact CD2-CD2 4.21Å; L34-F38 HydrophobicContact CD2-CE2 4.04Å; L34-F38 WeakPolarHBondContact O-CB 3.26Å; L34-F38 PolarHBondContact O-N 3Å
35	L	91.7	Very high	92.5	Very high	86 Å²	86	98.6 Å²	98.6	45%	0.45	52%	0.515	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175	-70.2	176.7	0	0	0	111.6	L31 K37 A39 W40	L31-L35 HydrophobicContact CG-CD1 4.25Å; L31-L35 WeakPolarHBondContact O-CG 3.36Å; L31-L35 PolarHBondContact O-N 2.92Å; L35-K37 VanDerWaalsContact C-N 3.28Å; L35-K37 PolarHBondContact O-N 2.87Å; L35-A39 HydrophobicContact CD2-CB 4.39Å; L35-A39 WeakPolarHBondContact O-CA 3.5Å; L35-A39 WeakPolarHBondContact O-CB 3.4Å; L35-A39 PolarHBondContact O-N 2.93Å; L35-W40 PolarHBondContact O-N 3.2Å
36	K	89.7	Confident	92.4	Very high	135 Å²	135	99 Å²	99	59%	0.587	52%	0.518	S	S	*	.	H	α-helix	trans	-57.3	-41.2	174.4	169.2	165.2	-159.7	-177.6	0	112.4	L32 A33 L34 W40	L32-K36 WeakPolarHBondContact O-CB 3.29Å; L32-K36 PolarHBondContact O-N 3.43Å; A33-K36 PolarHBondContact O-N 2.97Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.4Å; K36-W40 HydrophobicContact CB-CE3 3.51Å; K36-W40 HydrophobicContact CB-CH2 4.42Å; K36-W40 HydrophobicContact CB-CZ3 3.44Å; K36-W40 VanDerWaalsContact CB-CZ3 3.44Å; K36-W40 HydrophobicContact CD-CE3 4.16Å; K36-W40 HydrophobicContact CD-CZ3 3.73Å; K36-W40 HydrophobicContact CG-CE3 3.49Å; K36-W40 VanDerWaalsContact CG-CE3 3.49Å; K36-W40 HydrophobicContact CG-CZ3 3.51Å
37	K	89.6	Confident	92.3	Very high	165 Å²	165	100.2 Å²	100.2	72%	0.717	52%	0.522	S	S	*	.	H	α-helix	trans	-80.7	-43.4	-178.3	-173.2	173.9	-179.6	178	0	113.1	A33 L34 L35	A33-K37 WeakPolarHBondContact O-CB 3.37Å; A33-K37 PolarHBondContact O-N 3.35Å; L34-K37 PolarHBondContact O-N 3.48Å; L35-K37 VanDerWaalsContact C-N 3.28Å; L35-K37 PolarHBondContact O-N 2.87Å
38	F	92.1	Very high	92.4	Very high	148 Å²	148	98.2 Å²	98.2	65%	0.649	51%	0.508	S	S	*	.	H	α-helix	trans	-95.8	-31	-171.7	-79.5	-86.7	0	0	0	114.4	L34 P42	L34-F38 HydrophobicContact CD2-CD2 4.21Å; L34-F38 HydrophobicContact CD2-CE2 4.04Å; L34-F38 WeakPolarHBondContact O-CB 3.26Å; L34-F38 PolarHBondContact O-N 3Å; F38-P42 WeakPolarHBondContact O-CD 3.45Å; F38-P42 VanDerWaalsContact O-CG 3.25Å; F38-P42 WeakPolarHBondContact O-CG 3.25Å
39	A	90.6	Very high	92.4	Very high	43 Å²	43	97.1 Å²	97.1	36%	0.355	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-46.1	-177.5	0	0	0	0	0	112.2	L35 G41 L43	L35-A39 HydrophobicContact CD2-CB 4.39Å; L35-A39 WeakPolarHBondContact O-CA 3.5Å; L35-A39 WeakPolarHBondContact O-CB 3.4Å; L35-A39 PolarHBondContact O-N 2.93Å; A39-G41 PolarHBondContact O-N 3.38Å; A39-L43 WeakPolarHBondContact O-CB 3.33Å; A39-L43 PolarHBondContact O-N 3.37Å
40	W	90	Very high	92.3	Very high	161 Å²	161	101.2 Å²	101.2	61%	0.61	51%	0.513	S	S	*	.	H	α-helix	trans	-69	-33.7	-176	-77.4	-31.9	0	0	0	114.4	L35 K36 K44	L35-W40 PolarHBondContact O-N 3.2Å; K36-W40 HydrophobicContact CB-CE3 3.51Å; K36-W40 HydrophobicContact CB-CH2 4.42Å; K36-W40 HydrophobicContact CB-CZ3 3.44Å; K36-W40 VanDerWaalsContact CB-CZ3 3.44Å; K36-W40 HydrophobicContact CD-CE3 4.16Å; K36-W40 HydrophobicContact CD-CZ3 3.73Å; K36-W40 HydrophobicContact CG-CE3 3.49Å; K36-W40 VanDerWaalsContact CG-CE3 3.49Å; K36-W40 HydrophobicContact CG-CZ3 3.51Å; W40-K44 VanDerWaalsContact O-CB 3.24Å; W40-K44 WeakPolarHBondContact O-CB 3.23Å; W40-K44 PolarHBondContact O-N 2.86Å
41	G	87.8	Confident	92.3	Very high	42 Å²	42	102.7 Å²	102.7	43%	0.433	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-61.9	176.8	0	0	0	0	0	112.3	A39 L43 K44 D45	A39-G41 PolarHBondContact O-N 3.38Å; G41-L43 PolarHBondContact O-N 3.4Å; G41-K44 PolarHBondContact O-N 3.44Å; G41-D45 PolarHBondContact O-N 2.92Å
42	P	90.2	Very high	92.4	Very high	77 Å²	77	104.4 Å²	104.4	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-36.6	178.8	-25.6	36.6	0	0	0	113.9	F38 D45 V46	F38-P42 WeakPolarHBondContact O-CD 3.45Å; F38-P42 VanDerWaalsContact O-CG 3.25Å; F38-P42 WeakPolarHBondContact O-CG 3.25Å; P42-D45 PolarHBondContact O-N 2.86Å; P42-V46 VanDerWaalsContact O-CG2 3.3Å; P42-V46 WeakPolarHBondContact O-CG2 3.35Å; P42-V46 PolarHBondContact O-N 3.04Å
43	L	92.5	Very high	92.4	Very high	105 Å²	105	103.2 Å²	103.2	55%	0.55	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-44.8	178.1	-177.8	62.6	0	0	0	111.5	A39 G41 V46 M47	A39-L43 WeakPolarHBondContact O-CB 3.33Å; A39-L43 PolarHBondContact O-N 3.37Å; G41-L43 PolarHBondContact O-N 3.4Å; L43-V46 PolarHBondContact O-N 2.87Å; L43-M47 WeakPolarHBondContact O-CG 3.38Å; L43-M47 PolarHBondContact O-N 3.24Å; L43-M47 VanDerWaalsContact O-N 3.13Å
44	K	91.4	Very high	92.5	Very high	132 Å²	132	105 Å²	105	57%	0.574	51%	0.509	S	S	*	.	H	α-helix	trans	-65.6	-43.7	176.5	-172.6	-178.6	178	-172.9	0	111.1	W40 G41 V46 M47 D48	W40-K44 VanDerWaalsContact O-CB 3.24Å; W40-K44 WeakPolarHBondContact O-CB 3.23Å; W40-K44 PolarHBondContact O-N 2.86Å; G41-K44 PolarHBondContact O-N 3.44Å; K44-V46 VanDerWaalsContact C-N 3.31Å; K44-V46 PolarHBondContact O-N 2.89Å; K44-M47 PolarHBondContact O-N 3.39Å; K44-M47 VanDerWaalsContact O-N 3.13Å; K44-D48 WeakPolarHBondContact CE-OD2 3.32Å; K44-D48 WeakPolarHBondContact O-CB 3.4Å; K44-D48 VanDerWaalsContact O-CG 3.27Å; K44-D48 PolarHBondContact O-N 3.28Å
45	D	92.8	Very high	92.6	Very high	96 Å²	96	104.4 Å²	104.4	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-39.4	179.4	-171.7	45.2	0	0	0	112.2	G41 P42 K49 R52	G41-D45 PolarHBondContact O-N 2.92Å; P42-D45 PolarHBondContact O-N 2.86Å; D45-K49 WeakPolarHBondContact O-CA 3.49Å; D45-K49 WeakPolarHBondContact O-CB 3.26Å; D45-K49 PolarHBondContact O-N 2.77Å; D45-R52 IonicContact OD1-NH2 2.74Å
46	V	92.8	Very high	92.8	Very high	82 Å²	82	107.9 Å²	107.9	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-38.9	174.8	172.8	0	0	0	0	112	P42 L43 K44 R50	P42-V46 VanDerWaalsContact O-CG2 3.3Å; P42-V46 WeakPolarHBondContact O-CG2 3.35Å; P42-V46 PolarHBondContact O-N 3.04Å; L43-V46 PolarHBondContact O-N 2.87Å; K44-V46 VanDerWaalsContact C-N 3.31Å; K44-V46 PolarHBondContact O-N 2.89Å; V46-R50 WeakPolarHBondContact O-CB 3.48Å; V46-R50 WeakPolarHBondContact O-CG 3.36Å; V46-R50 PolarHBondContact O-N 2.91Å
47	M	93	Very high	93.1	Very high	123 Å²	123	106.8 Å²	106.8	61%	0.606	51%	0.514	S	S	*	.	H	α-helix	trans	-67.6	-50.5	175.7	-69.1	-174.6	84.5	0	0	111.2	L43 K44 K49 R50 E51	L43-M47 WeakPolarHBondContact O-CG 3.38Å; L43-M47 PolarHBondContact O-N 3.24Å; L43-M47 VanDerWaalsContact O-N 3.13Å; K44-M47 PolarHBondContact O-N 3.39Å; K44-M47 VanDerWaalsContact O-N 3.13Å; M47-K49 VanDerWaalsContact C-N 3.26Å; M47-K49 PolarHBondContact O-N 3.43Å; M47-R50 PolarHBondContact O-N 2.72Å; M47-E51 WeakPolarHBondContact O-CB 3.25Å; M47-E51 PolarHBondContact O-N 2.92Å
48	D	94.9	Very high	93.4	Very high	48 Å²	48	103.4 Å²	103.4	26%	0.257	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-36.4	178.1	-65.6	-2.8	0	0	0	110.5	K44 R52	K44-D48 WeakPolarHBondContact CE-OD2 3.32Å; K44-D48 WeakPolarHBondContact O-CB 3.4Å; K44-D48 VanDerWaalsContact O-CG 3.27Å; K44-D48 PolarHBondContact O-N 3.28Å; D48-R52 WeakPolarHBondContact O-CB 3.35Å; D48-R52 VanDerWaalsContact O-CG 3.23Å; D48-R52 WeakPolarHBondContact O-CG 3.26Å; D48-R52 PolarHBondContact O-N 2.85Å
49	K	95	Very high	93.6	Very high	99 Å²	99	100.9 Å²	100.9	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-66.1	-45.6	175.5	-179.2	58.2	175.2	146	0	111.5	D45 M47 R52 D53	D45-K49 WeakPolarHBondContact O-CA 3.49Å; D45-K49 WeakPolarHBondContact O-CB 3.26Å; D45-K49 PolarHBondContact O-N 2.77Å; M47-K49 VanDerWaalsContact C-N 3.26Å; M47-K49 PolarHBondContact O-N 3.43Å; K49-R52 PolarHBondContact O-N 3.49Å; K49-D53 WeakPolarHBondContact CE-OD2 3.5Å; K49-D53 VanDerWaalsContact NZ-CG 3.31Å; K49-D53 IonicContact NZ-OD1 3.06Å; K49-D53 PolarHBondContact NZ-OD1 3.16Å; K49-D53 IonicContact NZ-OD2 3.8Å; K49-D53 PolarHBondContact NZ-OD2 2.99Å; K49-D53 WeakPolarHBondContact O-CB 3.45Å; K49-D53 PolarHBondContact O-N 2.97Å
50	R	94.3	Very high	93.9	Very high	179 Å²	179	102.3 Å²	102.3	68%	0.675	50%	0.498	S	S	*	.	H	α-helix	trans	-63.9	-42.8	175.1	-78.7	-179.3	170.9	-116.8	-1	112	V46 M47 D53 I54	V46-R50 WeakPolarHBondContact O-CB 3.48Å; V46-R50 WeakPolarHBondContact O-CG 3.36Å; V46-R50 PolarHBondContact O-N 2.91Å; M47-R50 PolarHBondContact O-N 2.72Å; R50-D53 PolarHBondContact O-N 2.89Å; R50-I54 WeakPolarHBondContact O-CB 3.47Å; R50-I54 WeakPolarHBondContact O-CD1 3.46Å; R50-I54 WeakPolarHBondContact O-CG1 3.24Å; R50-I54 PolarHBondContact O-N 3.25Å
51	E	94.1	Very high	94.1	Very high	116 Å²	116	97.6 Å²	97.6	54%	0.542	49%	0.493	S	S	.	.	H	α-helix	trans	-60.9	-47.7	176.1	-177	179	175	0	0	110.9	M47 D53 I54 N55	M47-E51 WeakPolarHBondContact O-CB 3.25Å; M47-E51 PolarHBondContact O-N 2.92Å; E51-D53 PolarHBondContact O-N 3.27Å; E51-I54 PolarHBondContact O-N 2.93Å; E51-N55 WeakPolarHBondContact O-CB 3.39Å; E51-N55 PolarHBondContact O-N 2.95Å; E51-N55 PolarHBondContact O-ND2 2.9Å
52	R	96.2	Very high	94.6	Very high	127 Å²	127	101.1 Å²	101.1	48%	0.479	50%	0.498	S	S	.	.	H	α-helix	trans	-61.4	-44.1	176.3	-76.3	-172.9	-56.8	-98.8	3	112.9	D45 D48 K49 R56	D45-R52 IonicContact OD1-NH2 2.74Å; D48-R52 WeakPolarHBondContact O-CB 3.35Å; D48-R52 VanDerWaalsContact O-CG 3.23Å; D48-R52 WeakPolarHBondContact O-CG 3.26Å; D48-R52 PolarHBondContact O-N 2.85Å; K49-R52 PolarHBondContact O-N 3.49Å; R52-R56 WeakPolarHBondContact O-CB 3.3Å; R52-R56 PolarHBondContact O-N 3.42Å
53	D	95.2	Very high	94.9	Very high	58 Å²	58	102.9 Å²	102.9	31%	0.31	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-41	-178.5	-68.5	-16.4	0	0	0	110.8	K49 R50 E51 R56 D57	K49-D53 WeakPolarHBondContact CE-OD2 3.5Å; K49-D53 VanDerWaalsContact NZ-CG 3.31Å; K49-D53 IonicContact NZ-OD1 3.06Å; K49-D53 PolarHBondContact NZ-OD1 3.16Å; K49-D53 IonicContact NZ-OD2 3.8Å; K49-D53 PolarHBondContact NZ-OD2 2.99Å; K49-D53 WeakPolarHBondContact O-CB 3.45Å; K49-D53 PolarHBondContact O-N 2.97Å; R50-D53 PolarHBondContact O-N 2.89Å; E51-D53 PolarHBondContact O-N 3.27Å; D53-R56 PolarHBondContact O-N 3.42Å; D53-D57 WeakPolarHBondContact O-CB 3.29Å; D53-D57 PolarHBondContact O-N 3.38Å
54	I	95.3	Very high	95.1	Very high	94 Å²	94	100.7 Å²	100.7	48%	0.482	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-47.5	175.2	-68.8	165.7	0	0	0	111.3	R50 E51 R56 D57 I58	R50-I54 WeakPolarHBondContact O-CB 3.47Å; R50-I54 WeakPolarHBondContact O-CD1 3.46Å; R50-I54 WeakPolarHBondContact O-CG1 3.24Å; R50-I54 PolarHBondContact O-N 3.25Å; E51-I54 PolarHBondContact O-N 2.93Å; I54-R56 VanDerWaalsContact C-N 3.3Å; I54-R56 PolarHBondContact O-N 3.22Å; I54-D57 PolarHBondContact O-N 3.01Å; I54-I58 HydrophobicContact CG2-CD1 3.76Å; I54-I58 HydrophobicContact CG2-CG1 4.48Å; I54-I58 VanDerWaalsContact O-CG1 3.27Å; I54-I58 WeakPolarHBondContact O-CG1 3.41Å; I54-I58 PolarHBondContact O-N 2.8Å
55	N	95.7	Very high	95.3	Very high	77 Å²	77	100.9 Å²	100.9	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-42.5	179	-72.2	-18.3	0	0	0	110.6	E51 I58 D59	E51-N55 WeakPolarHBondContact O-CB 3.39Å; E51-N55 PolarHBondContact O-N 2.95Å; E51-N55 PolarHBondContact O-ND2 2.9Å; N55-I58 PolarHBondContact O-N 3.41Å; N55-D59 WeakPolarHBondContact O-CB 3.21Å; N55-D59 PolarHBondContact O-N 2.94Å
56	R	96.6	Very high	95.5	Very high	159 Å²	159	100.8 Å²	100.8	60%	0.6	50%	0.496	S	S	*	.	H	α-helix	trans	-61.9	-46.3	175.3	-179.5	-179.3	175.7	175.4	2.2	112.3	R52 D53 I54 I58 D59 D60	R52-R56 WeakPolarHBondContact O-CB 3.3Å; R52-R56 PolarHBondContact O-N 3.42Å; D53-R56 PolarHBondContact O-N 3.42Å; I54-R56 VanDerWaalsContact C-N 3.3Å; I54-R56 PolarHBondContact O-N 3.22Å; R56-I58 VanDerWaalsContact C-N 3.27Å; R56-I58 PolarHBondContact O-N 3.3Å; R56-D59 PolarHBondContact O-N 3.41Å; R56-D60 WeakPolarHBondContact CG-OD2 3.49Å; R56-D60 IonicContact NE-OD2 2.71Å; R56-D60 PolarHBondContact NE-OD2 3.49Å; R56-D60 VanDerWaalsContact O-CB 3.22Å; R56-D60 WeakPolarHBondContact O-CB 3.44Å; R56-D60 VanDerWaalsContact O-CG 3.26Å; R56-D60 PolarHBondContact O-N 2.93Å
57	D	95.6	Very high	95.7	Very high	111 Å²	111	101 Å²	101	59%	0.594	50%	0.495	S	S	*	.	H	α-helix	trans	-63.2	-35.8	179.8	-73	-13.3	0	0	0	111.4	D53 I54 A61	D53-D57 WeakPolarHBondContact O-CB 3.29Å; D53-D57 PolarHBondContact O-N 3.38Å; I54-D57 PolarHBondContact O-N 3.01Å; D57-A61 WeakPolarHBondContact O-CB 3.47Å; D57-A61 PolarHBondContact O-N 3.32Å
58	I	95.6	Very high	95.8	Very high	94 Å²	94	98 Å²	98	48%	0.482	49%	0.49	S	S	.	.	H	α-helix	trans	-68.4	-49	174.6	-68.3	168.5	0	0	0	110.8	I54 N55 R56 A61 E62	I54-I58 HydrophobicContact CG2-CD1 3.76Å; I54-I58 HydrophobicContact CG2-CG1 4.48Å; I54-I58 VanDerWaalsContact O-CG1 3.27Å; I54-I58 WeakPolarHBondContact O-CG1 3.41Å; I54-I58 PolarHBondContact O-N 2.8Å; N55-I58 PolarHBondContact O-N 3.41Å; R56-I58 VanDerWaalsContact C-N 3.27Å; R56-I58 PolarHBondContact O-N 3.3Å; I58-A61 PolarHBondContact O-N 3.21Å; I58-E62 WeakPolarHBondContact O-CB 3.2Å; I58-E62 PolarHBondContact O-N 2.93Å
59	D	96.6	Very high	95.9	Very high	96 Å²	96	100.5 Å²	100.5	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-45.1	179.7	-70.5	-16.2	0	0	0	111	N55 R56 A61 E62 Q63	N55-D59 WeakPolarHBondContact O-CB 3.21Å; N55-D59 PolarHBondContact O-N 2.94Å; R56-D59 PolarHBondContact O-N 3.41Å; D59-A61 VanDerWaalsContact C-N 3.33Å; D59-A61 PolarHBondContact O-N 3.41Å; D59-E62 PolarHBondContact O-N 3.29Å; D59-Q63 VanDerWaalsContact O-CB 3.26Å; D59-Q63 WeakPolarHBondContact O-CB 3.26Å; D59-Q63 PolarHBondContact O-N 3.5Å
60	D	96.5	Very high	96	Very high	73 Å²	73	102 Å²	102	39%	0.39	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-40	177.2	-75.2	-15.9	0	0	0	110.3	R56 A64	R56-D60 WeakPolarHBondContact CG-OD2 3.49Å; R56-D60 IonicContact NE-OD2 2.71Å; R56-D60 PolarHBondContact NE-OD2 3.49Å; R56-D60 VanDerWaalsContact O-CB 3.22Å; R56-D60 WeakPolarHBondContact O-CB 3.44Å; R56-D60 VanDerWaalsContact O-CG 3.26Å; R56-D60 PolarHBondContact O-N 2.93Å; D60-A64 WeakPolarHBondContact O-CB 3.4Å; D60-A64 PolarHBondContact O-N 2.93Å
61	A	95.2	Very high	96.1	Very high	62 Å²	62	98 Å²	98	51%	0.512	50%	0.498	S	S	.	.	H	α-helix	trans	-69	-41.2	176.4	0	0	0	0	0	112.9	D57 I58 D59 A64 K65	D57-A61 WeakPolarHBondContact O-CB 3.47Å; D57-A61 PolarHBondContact O-N 3.32Å; I58-A61 PolarHBondContact O-N 3.21Å; D59-A61 VanDerWaalsContact C-N 3.33Å; D59-A61 PolarHBondContact O-N 3.41Å; A61-A64 PolarHBondContact O-N 3.48Å; A61-K65 WeakPolarHBondContact O-CB 3.48Å; A61-K65 PolarHBondContact O-N 3.03Å
62	E	96.4	Very high	96.2	Very high	116 Å²	116	97.2 Å²	97.2	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-45.7	175.9	-176.4	167.3	-166.6	0	0	110.8	I58 D59 A64 K65 L66	I58-E62 WeakPolarHBondContact O-CB 3.2Å; I58-E62 PolarHBondContact O-N 2.93Å; D59-E62 PolarHBondContact O-N 3.29Å; E62-A64 PolarHBondContact O-N 3.1Å; E62-K65 PolarHBondContact O-N 2.86Å; E62-L66 HydrophobicContact CG-CD1 4.18Å; E62-L66 WeakPolarHBondContact O-CG 3.41Å; E62-L66 PolarHBondContact O-N 3.4Å
63	Q	96.8	Very high	96.3	Very high	113 Å²	113	96.6 Å²	96.6	53%	0.528	50%	0.497	S	S	.	.	H	α-helix	trans	-62.8	-41.8	176.5	-171.2	176.5	6.1	0	0	111.6	D59 K65 L66 N67	D59-Q63 VanDerWaalsContact O-CB 3.26Å; D59-Q63 WeakPolarHBondContact O-CB 3.26Å; D59-Q63 PolarHBondContact O-N 3.5Å; Q63-K65 VanDerWaalsContact C-N 3.33Å; Q63-K65 PolarHBondContact O-N 3.29Å; Q63-L66 PolarHBondContact O-N 3.29Å; Q63-N67 VanDerWaalsContact O-CB 3.28Å; Q63-N67 WeakPolarHBondContact O-CB 3.5Å; Q63-N67 PolarHBondContact O-N 2.87Å; Q63-N67 PolarHBondContact O-ND2 3.39Å
64	A	96.2	Very high	96.3	Very high	59 Å²	59	98.3 Å²	98.3	49%	0.488	50%	0.503	S	S	.	.	H	α-helix	trans	-61.4	-41.8	175	0	0	0	0	0	111.8	D60 A61 E62 A68	D60-A64 WeakPolarHBondContact O-CB 3.4Å; D60-A64 PolarHBondContact O-N 2.93Å; A61-A64 PolarHBondContact O-N 3.48Å; E62-A64 PolarHBondContact O-N 3.1Å; A64-A68 VanDerWaalsContact O-CB 3.28Å; A64-A68 WeakPolarHBondContact O-CB 3.33Å; A64-A68 PolarHBondContact O-N 3.23Å
65	K	96.6	Very high	96.4	Very high	136 Å²	136	97.8 Å²	97.8	59%	0.591	50%	0.501	S	S	*	.	H	α-helix	trans	-64.9	-45.8	176.7	-175	-178.9	177.1	-174.2	0	111.9	A61 E62 Q63 A68 Q69	A61-K65 WeakPolarHBondContact O-CB 3.48Å; A61-K65 PolarHBondContact O-N 3.03Å; E62-K65 PolarHBondContact O-N 2.86Å; Q63-K65 VanDerWaalsContact C-N 3.33Å; Q63-K65 PolarHBondContact O-N 3.29Å; K65-A68 PolarHBondContact O-N 2.94Å; K65-Q69 WeakPolarHBondContact O-CG 3.48Å; K65-Q69 PolarHBondContact O-N 3.23Å
66	L	97.1	Very high	96.5	Very high	94 Å²	94	99.2 Å²	99.2	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-43.7	177.3	-71.7	173.8	0	0	0	111.6	E62 Q63 Q69 K70	E62-L66 HydrophobicContact CG-CD1 4.18Å; E62-L66 WeakPolarHBondContact O-CG 3.41Å; E62-L66 PolarHBondContact O-N 3.4Å; Q63-L66 PolarHBondContact O-N 3.29Å; L66-Q69 PolarHBondContact O-N 3.38Å; L66-K70 WeakPolarHBondContact O-CB 3.35Å; L66-K70 PolarHBondContact O-N 2.84Å
67	N	96.7	Very high	96.5	Very high	88 Å²	88	96.6 Å²	96.6	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.2	-72.9	-21.4	0	0	0	111.8	Q63 K70 L71	Q63-N67 VanDerWaalsContact O-CB 3.28Å; Q63-N67 WeakPolarHBondContact O-CB 3.5Å; Q63-N67 PolarHBondContact O-N 2.87Å; Q63-N67 PolarHBondContact O-ND2 3.39Å; N67-K70 PolarHBondContact O-N 3.48Å; N67-L71 VanDerWaalsContact O-CB 3.27Å; N67-L71 WeakPolarHBondContact O-CB 3.3Å; N67-L71 PolarHBondContact O-N 3.3Å
68	A	95.9	Very high	96.5	Very high	60 Å²	60	97.8 Å²	97.8	50%	0.496	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-44.5	176.3	0	0	0	0	0	111.7	A64 K65 L71 E72	A64-A68 VanDerWaalsContact O-CB 3.28Å; A64-A68 WeakPolarHBondContact O-CB 3.33Å; A64-A68 PolarHBondContact O-N 3.23Å; K65-A68 PolarHBondContact O-N 2.94Å; A68-L71 PolarHBondContact O-N 3.37Å; A68-E72 WeakPolarHBondContact O-CB 3.36Å; A68-E72 PolarHBondContact O-N 2.95Å
69	Q	96.7	Very high	96.5	Very high	100 Å²	100	98.5 Å²	98.5	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-43.8	176.2	-74	179.1	-18.9	0	0	112.1	K65 L66 E72 E73	K65-Q69 WeakPolarHBondContact O-CG 3.48Å; K65-Q69 PolarHBondContact O-N 3.23Å; L66-Q69 PolarHBondContact O-N 3.38Å; Q69-E72 PolarHBondContact O-N 2.88Å; Q69-E73 PolarHBondContact O-N 2.89Å
70	K	97.1	Very high	96.5	Very high	129 Å²	129	100 Å²	100	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-46.4	176.4	-176.9	179.9	173.4	-175.4	0	111.2	L66 N67 E72 E73 E74	L66-K70 WeakPolarHBondContact O-CB 3.35Å; L66-K70 PolarHBondContact O-N 2.84Å; N67-K70 PolarHBondContact O-N 3.48Å; K70-E72 VanDerWaalsContact C-N 3.34Å; K70-E72 PolarHBondContact O-N 2.87Å; K70-E73 PolarHBondContact O-N 2.88Å; K70-E74 WeakPolarHBondContact CE-OE1 3.35Å; K70-E74 HydrophobicContact CG-CG 4.5Å; K70-E74 IonicContact NZ-OE1 3.37Å; K70-E74 WeakPolarHBondContact O-CB 3.23Å; K70-E74 WeakPolarHBondContact O-CG 3.34Å; K70-E74 PolarHBondContact O-N 3.3Å
71	L	96.6	Very high	96.6	Very high	95 Å²	95	101.1 Å²	101.1	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-36.4	179	-174.3	63.9	0	0	0	111.9	N67 A68 N75	N67-L71 VanDerWaalsContact O-CB 3.27Å; N67-L71 WeakPolarHBondContact O-CB 3.3Å; N67-L71 PolarHBondContact O-N 3.3Å; A68-L71 PolarHBondContact O-N 3.37Å; L71-N75 VanDerWaalsContact O-CB 3.28Å; L71-N75 WeakPolarHBondContact O-CB 3.47Å; L71-N75 PolarHBondContact O-N 3.28Å; L71-N75 PolarHBondContact O-ND2 3.48Å
72	E	96.2	Very high	96.6	Very high	101 Å²	101	101.3 Å²	101.3	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-46.3	173.3	-170.6	-169.1	168	0	0	111.1	A68 Q69 K70 N75 K76	A68-E72 WeakPolarHBondContact O-CB 3.36Å; A68-E72 PolarHBondContact O-N 2.95Å; Q69-E72 PolarHBondContact O-N 2.88Å; K70-E72 VanDerWaalsContact C-N 3.34Å; K70-E72 PolarHBondContact O-N 2.87Å; E72-N75 PolarHBondContact O-N 3.4Å; E72-K76 HydrophobicContact CG-CD 4.47Å; E72-K76 WeakPolarHBondContact O-CG 3.39Å; E72-K76 PolarHBondContact O-N 2.93Å; E72-K76 WeakPolarHBondContact OE1-CE 3.3Å; E72-K76 IonicContact OE1-NZ 3.89Å; E72-K76 PolarHBondContact OE1-NZ 3.41Å
73	E	96.9	Very high	96.6	Very high	114 Å²	114	102.2 Å²	102.2	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-65.8	-45.7	178.7	-171.3	60.2	-159.9	0	0	111.9	Q69 K70 N75 K76 Q77	Q69-E73 PolarHBondContact O-N 2.89Å; K70-E73 PolarHBondContact O-N 2.88Å; E73-N75 VanDerWaalsContact C-N 3.3Å; E73-N75 PolarHBondContact O-N 3.22Å; E73-K76 PolarHBondContact O-N 3.32Å; E73-Q77 WeakPolarHBondContact O-CB 3.39Å; E73-Q77 PolarHBondContact O-N 2.99Å
74	E	96.8	Very high	96.7	Very high	94 Å²	94	101.8 Å²	101.8	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-59.3	-41.5	175.5	-75.5	177.9	176	0	0	111.6	K70 Q77 K78	K70-E74 WeakPolarHBondContact CE-OE1 3.35Å; K70-E74 HydrophobicContact CG-CG 4.5Å; K70-E74 IonicContact NZ-OE1 3.37Å; K70-E74 WeakPolarHBondContact O-CB 3.23Å; K70-E74 WeakPolarHBondContact O-CG 3.34Å; K70-E74 PolarHBondContact O-N 3.3Å; E74-Q77 PolarHBondContact O-N 3.21Å; E74-K78 VanDerWaalsContact O-CB 3.27Å; E74-K78 WeakPolarHBondContact O-CB 3.27Å; E74-K78 PolarHBondContact O-N 3.47Å
75	N	96.9	Very high	96.7	Very high	82 Å²	82	104.8 Å²	104.8	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-67	-42	176.2	-77.4	-39.4	0	0	0	112.1	L71 E72 E73 K78 L79	L71-N75 VanDerWaalsContact O-CB 3.28Å; L71-N75 WeakPolarHBondContact O-CB 3.47Å; L71-N75 PolarHBondContact O-N 3.28Å; L71-N75 PolarHBondContact O-ND2 3.48Å; E72-N75 PolarHBondContact O-N 3.4Å; E73-N75 VanDerWaalsContact C-N 3.3Å; E73-N75 PolarHBondContact O-N 3.22Å; N75-K78 PolarHBondContact O-N 3.02Å; N75-L79 WeakPolarHBondContact O-CB 3.44Å; N75-L79 VanDerWaalsContact O-CG 3.25Å; N75-L79 WeakPolarHBondContact O-CG 3.41Å; N75-L79 PolarHBondContact O-N 2.92Å
76	K	96.6	Very high	96.7	Very high	107 Å²	107	102.5 Å²	102.5	47%	0.465	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-44.7	175.2	-77.7	176.1	-175.7	166.8	0	111.5	E72 E73 L79 K80	E72-K76 HydrophobicContact CG-CD 4.47Å; E72-K76 WeakPolarHBondContact O-CG 3.39Å; E72-K76 PolarHBondContact O-N 2.93Å; E72-K76 WeakPolarHBondContact OE1-CE 3.3Å; E72-K76 IonicContact OE1-NZ 3.89Å; E72-K76 PolarHBondContact OE1-NZ 3.41Å; E73-K76 PolarHBondContact O-N 3.32Å; K76-L79 PolarHBondContact O-N 3.44Å; K76-K80 WeakPolarHBondContact O-CB 3.36Å; K76-K80 PolarHBondContact O-N 2.91Å
77	Q	97	Very high	96.7	Very high	105 Å²	105	104.4 Å²	104.4	49%	0.491	51%	0.512	S	S	.	.	H	α-helix	trans	-61	-49.3	176.7	-178.1	175.5	-5.5	0	0	110.7	E73 E74 L79 K80 E81	E73-Q77 WeakPolarHBondContact O-CB 3.39Å; E73-Q77 PolarHBondContact O-N 2.99Å; E74-Q77 PolarHBondContact O-N 3.21Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3Å; Q77-K80 WeakPolarHBondContact O-CB 3.49Å; Q77-K80 PolarHBondContact O-N 2.83Å; Q77-K80 VanDerWaalsContact O-N 3.13Å; Q77-E81 HydrophobicContact CG-CG 4.43Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.35Å; Q77-E81 PolarHBondContact NE2-OE1 3.48Å; Q77-E81 WeakPolarHBondContact O-CG 3.43Å; Q77-E81 PolarHBondContact O-N 2.94Å
78	K	96.1	Very high	96.8	Very high	136 Å²	136	106.6 Å²	106.6	59%	0.591	52%	0.517	S	S	*	.	H	α-helix	trans	-61.7	-39.4	178.6	-170.8	176.3	-176.1	178.2	0	112.7	E74 N75 T82	E74-K78 VanDerWaalsContact O-CB 3.27Å; E74-K78 WeakPolarHBondContact O-CB 3.27Å; E74-K78 PolarHBondContact O-N 3.47Å; N75-K78 PolarHBondContact O-N 3.02Å; K78-T82 WeakPolarHBondContact O-CB 3.32Å; K78-T82 PolarHBondContact O-N 3.3Å; K78-T82 PolarHBondContact O-OG1 2.88Å
79	L	96.3	Very high	96.9	Very high	108 Å²	108	108.5 Å²	108.5	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-63	-42.9	174.6	-78	170.8	0	0	0	111.4	N75 K76 Q77 T82 Q83	N75-L79 WeakPolarHBondContact O-CB 3.44Å; N75-L79 VanDerWaalsContact O-CG 3.25Å; N75-L79 WeakPolarHBondContact O-CG 3.41Å; N75-L79 PolarHBondContact O-N 2.92Å; K76-L79 PolarHBondContact O-N 3.44Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3Å; L79-T82 PolarHBondContact O-N 3.34Å; L79-Q83 VanDerWaalsContact O-CG 3.3Å; L79-Q83 WeakPolarHBondContact O-CG 3.24Å; L79-Q83 PolarHBondContact O-N 3.17Å
80	K	97	Very high	96.9	Very high	127 Å²	127	108.2 Å²	108.2	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-64.2	-47.5	176.7	-173.2	-177.7	174.6	-167	0	111.6	K76 Q77 T82 Q83 E84	K76-K80 WeakPolarHBondContact O-CB 3.36Å; K76-K80 PolarHBondContact O-N 2.91Å; Q77-K80 WeakPolarHBondContact O-CB 3.49Å; Q77-K80 PolarHBondContact O-N 2.83Å; Q77-K80 VanDerWaalsContact O-N 3.13Å; K80-T82 VanDerWaalsContact C-N 3.3Å; K80-T82 PolarHBondContact O-N 2.85Å; K80-Q83 WeakPolarHBondContact O-CB 3.32Å; K80-Q83 PolarHBondContact O-N 2.92Å; K80-Q83 VanDerWaalsContact O-N 3.13Å; K80-E84 WeakPolarHBondContact CE-OE1 3.4Å; K80-E84 IonicContact NZ-OE1 2.65Å; K80-E84 WeakPolarHBondContact O-CG 3.3Å; K80-E84 PolarHBondContact O-N 3.38Å
81	E	96.9	Very high	96.9	Very high	97 Å²	97	107.9 Å²	107.9	45%	0.453	52%	0.52	S	S	.	.	H	α-helix	trans	-58.6	-42.8	175.7	-72.7	172.7	-174.2	0	0	111.4	Q77 Q83 E84 E85	Q77-E81 HydrophobicContact CG-CG 4.43Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.35Å; Q77-E81 PolarHBondContact NE2-OE1 3.48Å; Q77-E81 WeakPolarHBondContact O-CG 3.43Å; Q77-E81 PolarHBondContact O-N 2.94Å; E81-Q83 VanDerWaalsContact C-N 3.35Å; E81-Q83 PolarHBondContact O-N 3.41Å; E81-E84 PolarHBondContact O-N 2.9Å; E81-E85 WeakPolarHBondContact O-CB 3.18Å; E81-E85 PolarHBondContact O-N 3.35Å
82	T	96	Very high	97	Very high	66 Å²	66	106.9 Å²	106.9	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-40.9	175.9	-56.1	0	0	0	0	111.4	K78 L79 K80 E85 V86	K78-T82 WeakPolarHBondContact O-CB 3.32Å; K78-T82 PolarHBondContact O-N 3.3Å; K78-T82 PolarHBondContact O-OG1 2.88Å; L79-T82 PolarHBondContact O-N 3.34Å; K80-T82 VanDerWaalsContact C-N 3.3Å; K80-T82 PolarHBondContact O-N 2.85Å; T82-E85 PolarHBondContact O-N 3.25Å; T82-V86 HydrophobicContact CG2-CG2 4.36Å; T82-V86 WeakPolarHBondContact O-CB 3.5Å; T82-V86 WeakPolarHBondContact O-CG2 3.32Å; T82-V86 PolarHBondContact O-N 3.03Å
83	Q	96.7	Very high	97.1	Very high	135 Å²	135	104.5 Å²	104.5	63%	0.631	51%	0.512	S	S	*	.	H	α-helix	trans	-65.5	-42.7	177.3	-74.6	174.4	5.3	0	0	111.9	L79 K80 E81 V86 Q87	L79-Q83 VanDerWaalsContact O-CG 3.3Å; L79-Q83 WeakPolarHBondContact O-CG 3.24Å; L79-Q83 PolarHBondContact O-N 3.17Å; K80-Q83 WeakPolarHBondContact O-CB 3.32Å; K80-Q83 PolarHBondContact O-N 2.92Å; K80-Q83 VanDerWaalsContact O-N 3.13Å; E81-Q83 VanDerWaalsContact C-N 3.35Å; E81-Q83 PolarHBondContact O-N 3.41Å; Q83-V86 PolarHBondContact O-N 3.35Å; Q83-Q87 WeakPolarHBondContact O-CB 3.41Å; Q83-Q87 PolarHBondContact O-N 2.84Å
84	E	97.4	Very high	97.1	Very high	105 Å²	105	104.3 Å²	104.3	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-43.2	175.7	-71.3	176.4	-175.3	0	0	111.4	K80 E81 Q87 K88	K80-E84 WeakPolarHBondContact CE-OE1 3.4Å; K80-E84 IonicContact NZ-OE1 2.65Å; K80-E84 WeakPolarHBondContact O-CG 3.3Å; K80-E84 PolarHBondContact O-N 3.38Å; E81-E84 PolarHBondContact O-N 2.9Å; E84-Q87 PolarHBondContact O-N 3.17Å; E84-K88 WeakPolarHBondContact O-CB 3.49Å; E84-K88 PolarHBondContact O-N 3.38Å
85	E	97.2	Very high	97.2	Very high	122 Å²	122	102.1 Å²	102.1	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-64.5	-45.4	176.5	-174.6	174.1	-166.3	0	0	111.8	E81 T82 Q87 K88 I89	E81-E85 WeakPolarHBondContact O-CB 3.18Å; E81-E85 PolarHBondContact O-N 3.35Å; T82-E85 PolarHBondContact O-N 3.25Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 2.96Å; E85-K88 PolarHBondContact O-N 2.89Å; E85-I89 HydrophobicContact CG-CD1 3.93Å; E85-I89 HydrophobicContact CG-CG1 4.49Å; E85-I89 VanDerWaalsContact O-CG1 3.27Å; E85-I89 WeakPolarHBondContact O-CG1 3.25Å; E85-I89 PolarHBondContact O-N 3.39Å
86	V	97.2	Very high	97.2	Very high	87 Å²	87	103.5 Å²	103.5	53%	0.527	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-42	175.5	167.7	0	0	0	0	111.2	T82 Q83 K88 I89 L90	T82-V86 HydrophobicContact CG2-CG2 4.36Å; T82-V86 WeakPolarHBondContact O-CB 3.5Å; T82-V86 WeakPolarHBondContact O-CG2 3.32Å; T82-V86 PolarHBondContact O-N 3.03Å; Q83-V86 PolarHBondContact O-N 3.35Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-I89 PolarHBondContact O-N 3.49Å; V86-L90 WeakPolarHBondContact O-CB 3.41Å; V86-L90 PolarHBondContact O-N 3.35Å
87	Q	97.3	Very high	97.2	Very high	134 Å²	134	100.9 Å²	100.9	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-63.1	-43	177.3	-174.6	169.6	12.8	0	0	111.3	Q83 E84 E85 L90 E91	Q83-Q87 WeakPolarHBondContact O-CB 3.41Å; Q83-Q87 PolarHBondContact O-N 2.84Å; E84-Q87 PolarHBondContact O-N 3.17Å; E85-Q87 VanDerWaalsContact C-N 3.32Å; E85-Q87 PolarHBondContact O-N 2.96Å; Q87-L90 PolarHBondContact O-N 3.42Å; Q87-E91 WeakPolarHBondContact O-CB 3.45Å; Q87-E91 PolarHBondContact O-N 3.24Å
88	K	97.8	Very high	97.3	Very high	135 Å²	135	101.8 Å²	101.8	59%	0.587	50%	0.503	S	S	*	.	H	α-helix	trans	-62.1	-47.5	175.5	-175.1	179.9	177.8	-175.7	0	112	E84 E85 V86 L90 E91 D92	E84-K88 WeakPolarHBondContact O-CB 3.49Å; E84-K88 PolarHBondContact O-N 3.38Å; E85-K88 PolarHBondContact O-N 2.89Å; V86-K88 VanDerWaalsContact C-N 3.34Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 2.84Å; K88-E91 PolarHBondContact O-N 2.88Å; K88-D92 WeakPolarHBondContact O-CB 3.47Å; K88-D92 PolarHBondContact O-N 3.39Å
89	I	97.7	Very high	97.4	Very high	99 Å²	99	100.8 Å²	100.8	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-59.1	-42.6	176.8	-69.1	166.7	0	0	0	110.7	E85 V86 A93	E85-I89 HydrophobicContact CG-CD1 3.93Å; E85-I89 HydrophobicContact CG-CG1 4.49Å; E85-I89 VanDerWaalsContact O-CG1 3.27Å; E85-I89 WeakPolarHBondContact O-CG1 3.25Å; E85-I89 PolarHBondContact O-N 3.39Å; V86-I89 PolarHBondContact O-N 3.49Å; I89-A93 VanDerWaalsContact O-CB 3.22Å; I89-A93 WeakPolarHBondContact O-CB 3.22Å; I89-A93 PolarHBondContact O-N 2.84Å
90	L	97.7	Very high	97.4	Very high	95 Å²	95	101.2 Å²	101.2	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-67.7	-38.1	179	-176.9	63.5	0	0	0	112.2	V86 Q87 K88 K94	V86-L90 WeakPolarHBondContact O-CB 3.41Å; V86-L90 PolarHBondContact O-N 3.35Å; Q87-L90 PolarHBondContact O-N 3.42Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 2.84Å; L90-K94 HydrophobicContact CG-CD 4.5Å; L90-K94 WeakPolarHBondContact O-CB 3.31Å; L90-K94 VanDerWaalsContact O-CG 3.25Å; L90-K94 WeakPolarHBondContact O-CG 3.42Å; L90-K94 PolarHBondContact O-N 3.41Å
91	E	97.6	Very high	97.5	Very high	122 Å²	122	100.9 Å²	100.9	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-66.9	-48.3	175.6	-174.3	170.3	-173.8	0	0	111.5	Q87 K88 A93 K94 V95	Q87-E91 WeakPolarHBondContact O-CB 3.45Å; Q87-E91 PolarHBondContact O-N 3.24Å; K88-E91 PolarHBondContact O-N 2.88Å; E91-A93 VanDerWaalsContact C-N 3.33Å; E91-A93 PolarHBondContact O-N 2.92Å; E91-K94 WeakPolarHBondContact O-CB 3.45Å; E91-K94 PolarHBondContact O-N 3.22Å; E91-K94 VanDerWaalsContact O-N 3.11Å; E91-V95 WeakPolarHBondContact O-CG2 3.44Å; E91-V95 PolarHBondContact O-N 2.87Å
92	D	97.7	Very high	97.5	Very high	74 Å²	74	102.4 Å²	102.4	40%	0.396	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-44.4	176.6	-73.2	-19.4	0	0	0	111	K88 K94 V95 Q96	K88-D92 WeakPolarHBondContact O-CB 3.47Å; K88-D92 PolarHBondContact O-N 3.39Å; D92-K94 VanDerWaalsContact C-N 3.34Å; D92-K94 PolarHBondContact O-N 3.46Å; D92-V95 PolarHBondContact O-N 3.31Å; D92-Q96 WeakPolarHBondContact O-CB 3.27Å; D92-Q96 VanDerWaalsContact O-CG 3.31Å; D92-Q96 WeakPolarHBondContact O-CG 3.41Å; D92-Q96 PolarHBondContact O-N 2.89Å
93	A	97.5	Very high	97.6	Very high	50 Å²	50	104.6 Å²	104.6	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-61.4	-40.2	175.6	0	0	0	0	0	112.3	I89 E91 A97	I89-A93 VanDerWaalsContact O-CB 3.22Å; I89-A93 WeakPolarHBondContact O-CB 3.22Å; I89-A93 PolarHBondContact O-N 2.84Å; E91-A93 VanDerWaalsContact C-N 3.33Å; E91-A93 PolarHBondContact O-N 2.92Å; A93-A97 VanDerWaalsContact O-CB 3.24Å; A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 2.86Å
94	K	97.9	Very high	97.7	Very high	111 Å²	111	103.2 Å²	103.2	48%	0.483	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-39.9	175.7	-77	171.8	-177.9	174.8	0	112.2	L90 E91 D92 R98	L90-K94 HydrophobicContact CG-CD 4.5Å; L90-K94 WeakPolarHBondContact O-CB 3.31Å; L90-K94 VanDerWaalsContact O-CG 3.25Å; L90-K94 WeakPolarHBondContact O-CG 3.42Å; L90-K94 PolarHBondContact O-N 3.41Å; E91-K94 WeakPolarHBondContact O-CB 3.45Å; E91-K94 PolarHBondContact O-N 3.22Å; E91-K94 VanDerWaalsContact O-N 3.11Å; D92-K94 VanDerWaalsContact C-N 3.34Å; D92-K94 PolarHBondContact O-N 3.46Å; K94-R98 WeakPolarHBondContact O-CG 3.34Å; K94-R98 PolarHBondContact O-N 3.07Å
95	V	97.9	Very high	97.7	Very high	48 Å²	48	102.3 Å²	102.3	29%	0.291	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-48.8	176.8	172.5	0	0	0	0	110.1	E91 D92 A97 R98 Q99	E91-V95 WeakPolarHBondContact O-CG2 3.44Å; E91-V95 PolarHBondContact O-N 2.87Å; D92-V95 PolarHBondContact O-N 3.31Å; V95-A97 VanDerWaalsContact C-N 3.35Å; V95-A97 PolarHBondContact O-N 3.11Å; V95-R98 PolarHBondContact O-N 3.23Å; V95-Q99 WeakPolarHBondContact O-CG 3.36Å; V95-Q99 PolarHBondContact O-N 3.26Å
96	Q	97.7	Very high	97.8	Very high	111 Å²	111	102.3 Å²	102.3	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-43.1	177.4	-71.3	176.9	25.9	0	0	111.8	D92 R98 Q99 Q100	D92-Q96 WeakPolarHBondContact O-CB 3.27Å; D92-Q96 VanDerWaalsContact O-CG 3.31Å; D92-Q96 WeakPolarHBondContact O-CG 3.41Å; D92-Q96 PolarHBondContact O-N 2.89Å; Q96-R98 VanDerWaalsContact C-N 3.35Å; Q96-R98 PolarHBondContact O-N 3.44Å; Q96-Q99 PolarHBondContact O-N 2.94Å; Q96-Q100 WeakPolarHBondContact O-CB 3.41Å; Q96-Q100 VanDerWaalsContact O-CG 3.32Å; Q96-Q100 WeakPolarHBondContact O-CG 3.3Å; Q96-Q100 PolarHBondContact O-N 3.06Å
97	A	97.4	Very high	97.8	Very high	52 Å²	52	102.2 Å²	102.2	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-41.6	176.8	0	0	0	0	0	112.3	A93 V95 Q101	A93-A97 VanDerWaalsContact O-CB 3.24Å; A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 2.86Å; V95-A97 VanDerWaalsContact C-N 3.35Å; V95-A97 PolarHBondContact O-N 3.11Å; A97-Q101 VanDerWaalsContact O-CB 3.32Å; A97-Q101 WeakPolarHBondContact O-CB 3.35Å; A97-Q101 PolarHBondContact O-N 3.42Å
98	R	97.9	Very high	97.8	Very high	124 Å²	124	97.9 Å²	97.9	47%	0.468	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-45.3	175.1	-75.8	-170.2	-62.8	-92.5	1.8	112	K94 V95 Q96 Q100 Q101 E102	K94-R98 WeakPolarHBondContact O-CG 3.34Å; K94-R98 PolarHBondContact O-N 3.07Å; V95-R98 PolarHBondContact O-N 3.23Å; Q96-R98 VanDerWaalsContact C-N 3.35Å; Q96-R98 PolarHBondContact O-N 3.44Å; R98-Q100 VanDerWaalsContact C-N 3.35Å; R98-Q100 PolarHBondContact O-N 2.9Å; R98-Q101 WeakPolarHBondContact O-CB 3.49Å; R98-Q101 PolarHBondContact O-N 2.9Å; R98-E102 WeakPolarHBondContact O-CB 3.2Å; R98-E102 WeakPolarHBondContact O-CG 3.36Å; R98-E102 PolarHBondContact O-N 2.88Å
99	Q	97.9	Very high	97.8	Very high	114 Å²	114	95.7 Å²	95.7	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-61	-43.9	177.4	-73.7	176.4	-15.8	0	0	111.8	V95 Q96 E102 Q103	V95-Q99 WeakPolarHBondContact O-CG 3.36Å; V95-Q99 PolarHBondContact O-N 3.26Å; Q96-Q99 PolarHBondContact O-N 2.94Å; Q99-E102 PolarHBondContact O-N 2.92Å; Q99-Q103 VanDerWaalsContact O-CB 3.32Å; Q99-Q103 WeakPolarHBondContact O-CB 3.37Å; Q99-Q103 PolarHBondContact O-N 3.21Å
100	Q	98	Very high	97.9	Very high	118 Å²	118	94.9 Å²	94.9	55%	0.551	48%	0.482	S	S	*	.	H	α-helix	trans	-63.1	-42.7	175.1	-74.6	179.3	-6.3	0	0	111.6	Q96 R98 Q103 I104	Q96-Q100 WeakPolarHBondContact O-CB 3.41Å; Q96-Q100 VanDerWaalsContact O-CG 3.32Å; Q96-Q100 WeakPolarHBondContact O-CG 3.3Å; Q96-Q100 PolarHBondContact O-N 3.06Å; R98-Q100 VanDerWaalsContact C-N 3.35Å; R98-Q100 PolarHBondContact O-N 2.9Å; Q100-Q103 PolarHBondContact O-N 2.91Å; Q100-I104 WeakPolarHBondContact O-CB 3.27Å; Q100-I104 WeakPolarHBondContact O-CD1 3.46Å; Q100-I104 WeakPolarHBondContact O-CG1 3.47Å; Q100-I104 PolarHBondContact O-N 2.93Å
101	Q	97.8	Very high	97.9	Very high	119 Å²	119	97.8 Å²	97.8	56%	0.556	49%	0.486	S	S	*	.	H	α-helix	trans	-61	-47.9	176.3	-178.6	178.5	38	0	0	111.6	A97 R98 Q103 I104 I105	A97-Q101 VanDerWaalsContact O-CB 3.32Å; A97-Q101 WeakPolarHBondContact O-CB 3.35Å; A97-Q101 PolarHBondContact O-N 3.42Å; R98-Q101 WeakPolarHBondContact O-CB 3.49Å; R98-Q101 PolarHBondContact O-N 2.9Å; Q101-Q103 VanDerWaalsContact C-N 3.34Å; Q101-Q103 PolarHBondContact O-N 3.42Å; Q101-I104 PolarHBondContact O-N 3.44Å; Q101-I105 HydrophobicContact CG-CD1 3.87Å; Q101-I105 WeakPolarHBondContact O-CB 3.25Å; Q101-I105 VanDerWaalsContact O-CG1 3.27Å; Q101-I105 WeakPolarHBondContact O-CG1 3.4Å; Q101-I105 PolarHBondContact O-N 3.42Å
102	E	97.8	Very high	97.9	Very high	130 Å²	130	93.7 Å²	93.7	61%	0.607	47%	0.473	S	S	*	.	H	α-helix	trans	-61.2	-43.1	177.3	-74.6	175.8	-176	0	0	111.5	R98 Q99 I105 H106	R98-E102 WeakPolarHBondContact O-CB 3.2Å; R98-E102 WeakPolarHBondContact O-CG 3.36Å; R98-E102 PolarHBondContact O-N 2.88Å; Q99-E102 PolarHBondContact O-N 2.92Å; E102-I105 PolarHBondContact O-N 2.86Å; E102-H106 VanDerWaalsContact O-CB 3.3Å; E102-H106 WeakPolarHBondContact O-CB 3.36Å; E102-H106 PolarHBondContact O-N 3.35Å
103	Q	98	Very high	97.9	Very high	112 Å²	112	95.1 Å²	95.1	52%	0.523	48%	0.481	S	S	.	.	H	α-helix	trans	-62.2	-46.9	176.3	-177.8	177.6	-8.6	0	0	111.7	Q99 Q100 Q101 I105 H106 E107	Q99-Q103 VanDerWaalsContact O-CB 3.32Å; Q99-Q103 WeakPolarHBondContact O-CB 3.37Å; Q99-Q103 PolarHBondContact O-N 3.21Å; Q100-Q103 PolarHBondContact O-N 2.91Å; Q101-Q103 VanDerWaalsContact C-N 3.34Å; Q101-Q103 PolarHBondContact O-N 3.42Å; Q103-I105 VanDerWaalsContact C-N 3.33Å; Q103-I105 PolarHBondContact O-N 2.86Å; Q103-H106 PolarHBondContact O-N 2.89Å; Q103-E107 HydrophobicContact CG-CG 4.39Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.44Å; Q103-E107 PolarHBondContact NE2-OE1 3.36Å; Q103-E107 WeakPolarHBondContact O-CB 3.46Å; Q103-E107 WeakPolarHBondContact O-CG 3.34Å; Q103-E107 PolarHBondContact O-N 3.43Å
104	I	98	Very high	97.9	Very high	105 Å²	105	94.1 Å²	94.1	54%	0.538	48%	0.475	S	S	.	.	H	α-helix	trans	-60.6	-43.9	178.2	-71	164.7	0	0	0	110.7	Q100 Q101 A108	Q100-I104 WeakPolarHBondContact O-CB 3.27Å; Q100-I104 WeakPolarHBondContact O-CD1 3.46Å; Q100-I104 WeakPolarHBondContact O-CG1 3.47Å; Q100-I104 PolarHBondContact O-N 2.93Å; Q101-I104 PolarHBondContact O-N 3.44Å; I104-A108 VanDerWaalsContact O-CB 3.23Å; I104-A108 WeakPolarHBondContact O-CB 3.28Å; I104-A108 PolarHBondContact O-N 3.37Å
105	I	98.1	Very high	97.9	Very high	86 Å²	86	95 Å²	95	44%	0.441	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-43.5	177.8	-69.4	168.2	0	0	0	110.5	Q101 E102 Q103 A108 N109	Q101-I105 HydrophobicContact CG-CD1 3.87Å; Q101-I105 WeakPolarHBondContact O-CB 3.25Å; Q101-I105 VanDerWaalsContact O-CG1 3.27Å; Q101-I105 WeakPolarHBondContact O-CG1 3.4Å; Q101-I105 PolarHBondContact O-N 3.42Å; E102-I105 PolarHBondContact O-N 2.86Å; Q103-I105 VanDerWaalsContact C-N 3.33Å; Q103-I105 PolarHBondContact O-N 2.86Å; I105-A108 PolarHBondContact O-N 2.92Å; I105-N109 WeakPolarHBondContact O-CB 3.18Å; I105-N109 VanDerWaalsContact O-CG 3.32Å; I105-N109 PolarHBondContact O-N 2.87Å; I105-N109 PolarHBondContact O-ND2 3.4Å
106	H	98.1	Very high	97.9	Very high	123 Å²	123	98 Å²	98	57%	0.569	50%	0.496	S	S	*	.	H	α-helix	trans	-61.1	-50.4	177.1	-178	72.3	0	0	0	111.5	E102 Q103 A108 N109 V110	E102-H106 VanDerWaalsContact O-CB 3.3Å; E102-H106 WeakPolarHBondContact O-CB 3.36Å; E102-H106 PolarHBondContact O-N 3.35Å; Q103-H106 PolarHBondContact O-N 2.89Å; H106-A108 VanDerWaalsContact C-N 3.3Å; H106-A108 PolarHBondContact O-N 3.48Å; H106-N109 PolarHBondContact O-N 2.93Å; H106-V110 WeakPolarHBondContact O-CG2 3.17Å; H106-V110 PolarHBondContact O-N 3.47Å
107	E	97.9	Very high	97.9	Very high	84 Å²	84	99.7 Å²	99.7	39%	0.393	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-35.9	177	-72.5	177.1	-166.8	0	0	112.5	Q103 R111	Q103-E107 HydrophobicContact CG-CG 4.39Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.44Å; Q103-E107 PolarHBondContact NE2-OE1 3.36Å; Q103-E107 WeakPolarHBondContact O-CB 3.46Å; Q103-E107 WeakPolarHBondContact O-CG 3.34Å; Q103-E107 PolarHBondContact O-N 3.43Å; E107-R111 WeakPolarHBondContact O-CB 3.36Å; E107-R111 VanDerWaalsContact O-CG 3.3Å; E107-R111 WeakPolarHBondContact O-CG 3.28Å; E107-R111 PolarHBondContact O-N 2.89Å; E107-R111 PolarHBondContact O-NE 3.38Å
108	A	97.6	Very high	97.9	Very high	43 Å²	43	100.9 Å²	100.9	36%	0.355	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-44.6	173.8	0	0	0	0	0	111.4	I104 I105 H106 R111 A112	I104-A108 VanDerWaalsContact O-CB 3.23Å; I104-A108 WeakPolarHBondContact O-CB 3.28Å; I104-A108 PolarHBondContact O-N 3.37Å; I105-A108 PolarHBondContact O-N 2.92Å; H106-A108 VanDerWaalsContact C-N 3.3Å; H106-A108 PolarHBondContact O-N 3.48Å; A108-R111 PolarHBondContact O-N 3.25Å; A108-A112 VanDerWaalsContact O-CB 3.3Å; A108-A112 WeakPolarHBondContact O-CB 3.36Å; A108-A112 PolarHBondContact O-N 2.89Å
109	N	98.2	Very high	97.9	Very high	89 Å²	89	97 Å²	97	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-65.4	-42.5	177.4	-74.6	-34.4	0	0	0	112.2	I105 H106 A112 N113	I105-N109 WeakPolarHBondContact O-CB 3.18Å; I105-N109 VanDerWaalsContact O-CG 3.32Å; I105-N109 PolarHBondContact O-N 2.87Å; I105-N109 PolarHBondContact O-ND2 3.4Å; H106-N109 PolarHBondContact O-N 2.93Å; N109-A112 PolarHBondContact O-N 3.46Å; N109-N113 WeakPolarHBondContact O-CB 3.4Å; N109-N113 VanDerWaalsContact O-CG 3.27Å; N109-N113 PolarHBondContact O-N 3.13Å; N109-N113 PolarHBondContact O-ND2 2.72Å
110	V	98.2	Very high	97.9	Very high	83 Å²	83	96.3 Å²	96.3	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-46.3	175.9	170.9	0	0	0	0	110.6	H106 N113 G114	H106-V110 WeakPolarHBondContact O-CG2 3.17Å; H106-V110 PolarHBondContact O-N 3.47Å; V110-N113 PolarHBondContact O-N 2.95Å; V110-G114 PolarHBondContact O-N 3.4Å
111	R	97.9	Very high	97.9	Very high	156 Å²	156	94.4 Å²	94.4	59%	0.589	50%	0.497	S	S	*	.	H	α-helix	trans	-64.4	-42.4	176.4	-74.9	-176.3	-70.2	173.2	-4.3	112.4	E107 A108 G114 M115	E107-R111 WeakPolarHBondContact O-CB 3.36Å; E107-R111 VanDerWaalsContact O-CG 3.3Å; E107-R111 WeakPolarHBondContact O-CG 3.28Å; E107-R111 PolarHBondContact O-N 2.89Å; E107-R111 PolarHBondContact O-NE 3.38Å; A108-R111 PolarHBondContact O-N 3.25Å; R111-G114 PolarHBondContact O-N 3.42Å; R111-M115 WeakPolarHBondContact O-CG 3.27Å; R111-M115 PolarHBondContact O-N 3.34Å
112	A	97.8	Very high	97.9	Very high	36 Å²	36	94.5 Å²	94.5	30%	0.298	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-47.3	177.5	0	0	0	0	0	111.6	A108 N109 M115 I116	A108-A112 VanDerWaalsContact O-CB 3.3Å; A108-A112 WeakPolarHBondContact O-CB 3.36Å; A108-A112 PolarHBondContact O-N 2.89Å; N109-A112 PolarHBondContact O-N 3.46Å; A112-M115 PolarHBondContact O-N 2.86Å; A112-I116 WeakPolarHBondContact O-CG1 3.36Å; A112-I116 PolarHBondContact O-N 2.98Å
113	N	98	Very high	97.9	Very high	104 Å²	104	93 Å²	93	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-63.4	-42.6	177	-70.6	-21.6	0	0	0	111.9	N109 V110 M115 I116 E117	N109-N113 WeakPolarHBondContact O-CB 3.4Å; N109-N113 VanDerWaalsContact O-CG 3.27Å; N109-N113 PolarHBondContact O-N 3.13Å; N109-N113 PolarHBondContact O-ND2 2.72Å; V110-N113 PolarHBondContact O-N 2.95Å; N113-M115 VanDerWaalsContact C-N 3.33Å; N113-M115 PolarHBondContact O-N 2.93Å; N113-I116 PolarHBondContact O-N 2.94Å; N113-E117 PolarHBondContact O-N 2.83Å
114	G	97.9	Very high	97.9	Very high	29 Å²	29	91.8 Å²	91.8	30%	0.299	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-37.1	175.9	0	0	0	0	0	113.3	V110 R111 T118	V110-G114 PolarHBondContact O-N 3.4Å; R111-G114 PolarHBondContact O-N 3.42Å; G114-T118 WeakPolarHBondContact O-CB 2.98Å; G114-T118 PolarHBondContact O-N 3.48Å; G114-T118 PolarHBondContact O-OG1 3.44Å
115	M	97.7	Very high	97.9	Very high	128 Å²	128	89.1 Å²	89.1	63%	0.631	48%	0.48	S	S	*	.	H	α-helix	trans	-65.3	-42.8	172.6	-75.6	-173.7	-66.6	0	0	111.8	R111 A112 N113 T118 A119	R111-M115 WeakPolarHBondContact O-CG 3.27Å; R111-M115 PolarHBondContact O-N 3.34Å; A112-M115 PolarHBondContact O-N 2.86Å; N113-M115 VanDerWaalsContact C-N 3.33Å; N113-M115 PolarHBondContact O-N 2.93Å; M115-T118 PolarHBondContact O-N 3.13Å; M115-A119 VanDerWaalsContact O-CB 3.26Å; M115-A119 WeakPolarHBondContact O-CB 3.46Å; M115-A119 PolarHBondContact O-N 2.97Å
116	I	97.9	Very high	97.8	Very high	112 Å²	112	90 Å²	90	57%	0.574	48%	0.483	S	S	*	.	H	α-helix	trans	-63.1	-45.4	177.4	-68.8	165.4	0	0	0	110.8	A112 N113 A119 Q120	A112-I116 WeakPolarHBondContact O-CG1 3.36Å; A112-I116 PolarHBondContact O-N 2.98Å; N113-I116 PolarHBondContact O-N 2.94Å; I116-A119 PolarHBondContact O-N 2.89Å; I116-Q120 WeakPolarHBondContact O-CB 3.28Å; I116-Q120 PolarHBondContact O-N 3.42Å
117	E	97.8	Very high	97.8	Very high	146 Å²	146	90.5 Å²	90.5	68%	0.682	48%	0.483	S	S	*	.	H	α-helix	trans	-62.7	-45	178.8	-175.7	176.6	-171.8	0	0	111.6	N113 Q120 S121	N113-E117 PolarHBondContact O-N 2.83Å; E117-Q120 PolarHBondContact O-N 2.88Å; E117-S121 WeakPolarHBondContact O-CB 3.33Å; E117-S121 PolarHBondContact O-N 3.35Å
118	T	97.9	Very high	97.8	Very high	78 Å²	78	93.6 Å²	93.6	48%	0.479	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-47.7	177	-60.2	0	0	0	0	110.8	G114 M115 Q120 S121 E122	G114-T118 WeakPolarHBondContact O-CB 2.98Å; G114-T118 PolarHBondContact O-N 3.48Å; G114-T118 PolarHBondContact O-OG1 3.44Å; M115-T118 PolarHBondContact O-N 3.13Å; T118-Q120 VanDerWaalsContact C-N 3.31Å; T118-Q120 PolarHBondContact O-N 2.97Å; T118-S121 WeakPolarHBondContact O-CB 3.34Å; T118-S121 PolarHBondContact O-N 3.2Å; T118-E122 WeakPolarHBondContact O-CG 3.19Å; T118-E122 PolarHBondContact O-N 2.92Å
119	A	97.7	Very high	97.8	Very high	43 Å²	43	98 Å²	98	36%	0.355	51%	0.505	S	S	.	.	H	α-helix	trans	-60.1	-40.4	176.5	0	0	0	0	0	112	M115 I116 E122 I123	M115-A119 VanDerWaalsContact O-CB 3.26Å; M115-A119 WeakPolarHBondContact O-CB 3.46Å; M115-A119 PolarHBondContact O-N 2.97Å; I116-A119 PolarHBondContact O-N 2.89Å; A119-E122 PolarHBondContact O-N 2.88Å; A119-I123 WeakPolarHBondContact O-CB 3.41Å; A119-I123 WeakPolarHBondContact O-CD1 3.16Å; A119-I123 WeakPolarHBondContact O-CG1 3.41Å; A119-I123 PolarHBondContact O-N 2.65Å
120	Q	97.9	Very high	97.7	Very high	98 Å²	98	96.1 Å²	96.1	46%	0.458	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-40.3	177.4	-174.1	59.6	61.4	0	0	112.1	I116 E117 T118 I123 N124	I116-Q120 WeakPolarHBondContact O-CB 3.28Å; I116-Q120 PolarHBondContact O-N 3.42Å; E117-Q120 PolarHBondContact O-N 2.88Å; T118-Q120 VanDerWaalsContact C-N 3.31Å; T118-Q120 PolarHBondContact O-N 2.97Å; Q120-I123 PolarHBondContact O-N 3.38Å; Q120-N124 PolarHBondContact NE2-OD1 3.41Å; Q120-N124 WeakPolarHBondContact O-CB 3.26Å; Q120-N124 VanDerWaalsContact O-CG 3.23Å; Q120-N124 PolarHBondContact O-N 3.35Å; Q120-N124 PolarHBondContact O-ND2 3.3Å
121	S	97.7	Very high	97.6	Very high	79 Å²	79	96 Å²	96	55%	0.552	50%	0.498	S	S	*	.	H	α-helix	trans	-63.4	-45	174.3	-174.5	0	0	0	0	111.5	E117 T118 N124 S125	E117-S121 WeakPolarHBondContact O-CB 3.33Å; E117-S121 PolarHBondContact O-N 3.35Å; T118-S121 WeakPolarHBondContact O-CB 3.34Å; T118-S121 PolarHBondContact O-N 3.2Å; S121-N124 PolarHBondContact O-N 2.9Å; S121-S125 PolarHBondContact O-N 3.44Å
122	E	97.8	Very high	97.6	Very high	120 Å²	120	91 Å²	91	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-61.3	-46.2	175.2	-73.8	-179.9	-175.8	0	0	111.7	T118 A119 N124 S125 Q126	T118-E122 WeakPolarHBondContact O-CG 3.19Å; T118-E122 PolarHBondContact O-N 2.92Å; A119-E122 PolarHBondContact O-N 2.88Å; E122-N124 VanDerWaalsContact C-N 3.3Å; E122-N124 PolarHBondContact O-N 3.5Å; E122-S125 PolarHBondContact O-N 2.89Å; E122-Q126 WeakPolarHBondContact O-CB 3.46Å; E122-Q126 WeakPolarHBondContact O-CG 3.19Å; E122-Q126 PolarHBondContact O-N 3.38Å
123	I	97.7	Very high	97.6	Very high	99 Å²	99	93.3 Å²	93.3	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-57.7	-43.9	176.2	-73.3	165	0	0	0	110.9	A119 Q120 Q126 K127	A119-I123 WeakPolarHBondContact O-CB 3.41Å; A119-I123 WeakPolarHBondContact O-CD1 3.16Å; A119-I123 WeakPolarHBondContact O-CG1 3.41Å; A119-I123 PolarHBondContact O-N 2.65Å; Q120-I123 PolarHBondContact O-N 3.38Å; I123-Q126 PolarHBondContact O-N 2.95Å; I123-K127 VanDerWaalsContact O-CB 3.29Å; I123-K127 WeakPolarHBondContact O-CB 3.22Å; I123-K127 PolarHBondContact O-N 2.89Å
124	N	97.7	Very high	97.5	Very high	86 Å²	86	92.9 Å²	92.9	46%	0.46	49%	0.493	S	S	.	.	H	α-helix	trans	-65	-44.3	178.6	-71.8	-20.4	0	0	0	111.7	Q120 S121 E122 Q126 K127 E128	Q120-N124 PolarHBondContact NE2-OD1 3.41Å; Q120-N124 WeakPolarHBondContact O-CB 3.26Å; Q120-N124 VanDerWaalsContact O-CG 3.23Å; Q120-N124 PolarHBondContact O-N 3.35Å; Q120-N124 PolarHBondContact O-ND2 3.3Å; S121-N124 PolarHBondContact O-N 2.9Å; E122-N124 VanDerWaalsContact C-N 3.3Å; E122-N124 PolarHBondContact O-N 3.5Å; N124-Q126 PolarHBondContact O-N 3.47Å; N124-K127 PolarHBondContact O-N 3.46Å; N124-E128 PolarHBondContact O-N 3.28Å
125	S	97.8	Very high	97.4	Very high	50 Å²	50	95.7 Å²	95.7	35%	0.35	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-40.6	175.6	173.9	0	0	0	0	112.5	S121 E122 R129	S121-S125 PolarHBondContact O-N 3.44Å; E122-S125 PolarHBondContact O-N 2.89Å; S125-R129 WeakPolarHBondContact O-CG 3.38Å; S125-R129 PolarHBondContact O-N 2.88Å; S125-R129 VanDerWaalsContact O-N 3.1Å; S125-R129 PolarHBondContact O-NE 2.88Å; S125-R129 PolarHBondContact OG-NH2 2.88Å
126	Q	97.2	Very high	97.4	Very high	105 Å²	105	94.8 Å²	94.8	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-69	-38.7	176.8	-67	-66.6	-5.2	0	0	111.3	E122 I123 N124 R129 A130	E122-Q126 WeakPolarHBondContact O-CB 3.46Å; E122-Q126 WeakPolarHBondContact O-CG 3.19Å; E122-Q126 PolarHBondContact O-N 3.38Å; I123-Q126 PolarHBondContact O-N 2.95Å; N124-Q126 PolarHBondContact O-N 3.47Å; Q126-R129 VanDerWaalsContact CD-CZ 3.46Å; Q126-R129 VanDerWaalsContact CD-NH2 3.25Å; Q126-R129 PolarHBondContact O-N 3.2Å; Q126-A130 WeakPolarHBondContact O-CB 3.19Å; Q126-A130 PolarHBondContact O-N 2.98Å
127	K	97.6	Very high	97.3	Very high	133 Å²	133	94 Å²	94	58%	0.578	49%	0.493	S	S	*	.	H	α-helix	trans	-61.8	-45.2	174.5	-179.6	-177.8	176.4	-176.4	0	111.7	I123 N124 A130 I131	I123-K127 VanDerWaalsContact O-CB 3.29Å; I123-K127 WeakPolarHBondContact O-CB 3.22Å; I123-K127 PolarHBondContact O-N 2.89Å; N124-K127 PolarHBondContact O-N 3.46Å; K127-A130 PolarHBondContact O-N 3.49Å; K127-I131 HydrophobicContact CG-CD1 3.98Å; K127-I131 VanDerWaalsContact O-CG1 3.3Å; K127-I131 WeakPolarHBondContact O-CG1 3.39Å; K127-I131 PolarHBondContact O-N 3.03Å
128	E	97.2	Very high	97.2	Very high	149 Å²	149	90.5 Å²	90.5	70%	0.696	48%	0.482	S	S	*	.	H	α-helix	trans	-61.9	-44.3	177.3	-173.8	175.6	-174.8	0	0	111.5	N124 A130 I131 A132	N124-E128 PolarHBondContact O-N 3.28Å; E128-A130 PolarHBondContact O-N 2.88Å; E128-I131 PolarHBondContact O-N 3.46Å; E128-A132 PolarHBondContact O-N 2.84Å
129	R	97.5	Very high	97	Very high	134 Å²	134	90.1 Å²	90.1	51%	0.506	48%	0.482	S	S	.	.	H	α-helix	trans	-60.1	-43.7	173.5	-79.6	-177.9	-83.2	177.8	-11.5	112.7	S125 Q126 I131 A132 D133	S125-R129 WeakPolarHBondContact O-CG 3.38Å; S125-R129 PolarHBondContact O-N 2.88Å; S125-R129 VanDerWaalsContact O-N 3.1Å; S125-R129 PolarHBondContact O-NE 2.88Å; S125-R129 PolarHBondContact OG-NH2 2.88Å; Q126-R129 VanDerWaalsContact CD-CZ 3.46Å; Q126-R129 VanDerWaalsContact CD-NH2 3.25Å; Q126-R129 PolarHBondContact O-N 3.2Å; R129-I131 PolarHBondContact O-N 3.26Å; R129-A132 PolarHBondContact O-N 3.4Å; R129-D133 WeakPolarHBondContact O-CB 3.27Å; R129-D133 PolarHBondContact O-N 3.35Å
130	A	96.7	Very high	97	Very high	50 Å²	50	94.1 Å²	94.1	41%	0.413	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-40.3	177.3	0	0	0	0	0	112	Q126 K127 E128 D133 I134	Q126-A130 WeakPolarHBondContact O-CB 3.19Å; Q126-A130 PolarHBondContact O-N 2.98Å; K127-A130 PolarHBondContact O-N 3.49Å; E128-A130 PolarHBondContact O-N 2.88Å; A130-D133 PolarHBondContact O-N 3.37Å; A130-I134 VanDerWaalsContact O-CG1 3.24Å; A130-I134 WeakPolarHBondContact O-CG1 3.14Å; A130-I134 PolarHBondContact O-N 3.32Å
131	I	97.1	Very high	96.8	Very high	82 Å²	82	94.2 Å²	94.2	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-43.4	175.5	-68.8	166.2	0	0	0	110.8	K127 E128 R129 D133 I134 N135	K127-I131 HydrophobicContact CG-CD1 3.98Å; K127-I131 VanDerWaalsContact O-CG1 3.3Å; K127-I131 WeakPolarHBondContact O-CG1 3.39Å; K127-I131 PolarHBondContact O-N 3.03Å; E128-I131 PolarHBondContact O-N 3.46Å; R129-I131 PolarHBondContact O-N 3.26Å; I131-D133 VanDerWaalsContact C-N 3.34Å; I131-D133 PolarHBondContact O-N 2.71Å; I131-I134 PolarHBondContact O-N 2.87Å; I131-N135 PolarHBondContact O-N 2.98Å; I131-N135 PolarHBondContact O-ND2 2.93Å
132	A	97	Very high	96.7	Very high	49 Å²	49	93.5 Å²	93.5	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-42.7	176.4	0	0	0	0	0	111.8	E128 R129 N135 N136	E128-A132 PolarHBondContact O-N 2.84Å; R129-A132 PolarHBondContact O-N 3.4Å; A132-N135 PolarHBondContact O-N 3.34Å; A132-N136 PolarHBondContact O-N 3.42Å; A132-N136 PolarHBondContact O-ND2 2.84Å
133	D	97.2	Very high	96.5	Very high	86 Å²	86	92.2 Å²	92.2	46%	0.46	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-43.3	176.9	-168.3	45.4	0	0	0	112.1	R129 A130 I131 N135 N136 Q137	R129-D133 WeakPolarHBondContact O-CB 3.27Å; R129-D133 PolarHBondContact O-N 3.35Å; A130-D133 PolarHBondContact O-N 3.37Å; I131-D133 VanDerWaalsContact C-N 3.34Å; I131-D133 PolarHBondContact O-N 2.71Å; D133-N135 VanDerWaalsContact C-N 3.34Å; D133-N135 PolarHBondContact O-N 3.39Å; D133-N136 WeakPolarHBondContact O-CB 3.37Å; D133-N136 PolarHBondContact O-N 2.88Å; D133-Q137 WeakPolarHBondContact O-CG 3.04Å; D133-Q137 PolarHBondContact O-N 2.8Å; D133-Q137 PolarHBondContact OD2-NE2 2.91Å
134	I	96.6	Very high	96.3	Very high	94 Å²	94	92 Å²	92	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-58.7	-44.9	173	-70.1	165.4	0	0	0	110.9	A130 I131 N136 Q137 V138	A130-I134 VanDerWaalsContact O-CG1 3.24Å; A130-I134 WeakPolarHBondContact O-CG1 3.14Å; A130-I134 PolarHBondContact O-N 3.32Å; I131-I134 PolarHBondContact O-N 2.87Å; I134-N136 VanDerWaalsContact C-N 3.32Å; I134-N136 PolarHBondContact O-N 3.3Å; I134-Q137 PolarHBondContact O-N 3.44Å; I134-V138 HydrophobicContact CG2-CG2 4.21Å; I134-V138 WeakPolarHBondContact O-CB 3.5Å; I134-V138 VanDerWaalsContact O-CG2 3.26Å; I134-V138 WeakPolarHBondContact O-CG2 3.23Å; I134-V138 PolarHBondContact O-N 3.46Å
135	N	96.3	Very high	96.2	Very high	89 Å²	89	93 Å²	93	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-37.9	178.7	-75.7	-35.4	0	0	0	112.4	I131 A132 D133 S139	I131-N135 PolarHBondContact O-N 2.98Å; I131-N135 PolarHBondContact O-ND2 2.93Å; A132-N135 PolarHBondContact O-N 3.34Å; D133-N135 VanDerWaalsContact C-N 3.34Å; D133-N135 PolarHBondContact O-N 3.39Å; N135-S139 WeakPolarHBondContact O-CB 3.39Å; N135-S139 PolarHBondContact O-N 3.5Å; N135-S139 PolarHBondContact O-OG 3.06Å
136	N	96.9	Very high	95.9	Very high	109 Å²	109	93.5 Å²	93.5	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-64.4	-48	174	-71.3	-24.8	0	0	0	111.1	A132 D133 I134 V138 S139 E140	A132-N136 PolarHBondContact O-N 3.42Å; A132-N136 PolarHBondContact O-ND2 2.84Å; D133-N136 WeakPolarHBondContact O-CB 3.37Å; D133-N136 PolarHBondContact O-N 2.88Å; I134-N136 VanDerWaalsContact C-N 3.32Å; I134-N136 PolarHBondContact O-N 3.3Å; N136-V138 VanDerWaalsContact C-N 3.34Å; N136-V138 PolarHBondContact O-N 3.44Å; N136-S139 WeakPolarHBondContact O-CB 3.34Å; N136-S139 PolarHBondContact O-N 2.91Å; N136-S139 VanDerWaalsContact O-N 3.16Å; N136-E140 PolarHBondContact O-N 2.9Å
137	Q	95.6	Very high	95.7	Very high	94 Å²	94	90.5 Å²	90.5	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-60.9	-41.3	177.5	-69.5	179.6	44.5	0	0	112	D133 I134 S139 E140 L141	D133-Q137 WeakPolarHBondContact O-CG 3.04Å; D133-Q137 PolarHBondContact O-N 2.8Å; D133-Q137 PolarHBondContact OD2-NE2 2.91Å; I134-Q137 PolarHBondContact O-N 3.44Å; Q137-S139 VanDerWaalsContact C-N 3.34Å; Q137-S139 PolarHBondContact O-N 2.91Å; Q137-E140 PolarHBondContact O-N 3.43Å; Q137-L141 WeakPolarHBondContact O-CB 3.32Å; Q137-L141 VanDerWaalsContact O-CG 3.25Å; Q137-L141 WeakPolarHBondContact O-CG 3.42Å; Q137-L141 PolarHBondContact O-N 3.02Å
138	V	95.9	Very high	95.4	Very high	74 Å²	74	91.7 Å²	91.7	45%	0.448	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-39.2	175.8	170	0	0	0	0	111.3	I134 N136 S142	I134-V138 HydrophobicContact CG2-CG2 4.21Å; I134-V138 WeakPolarHBondContact O-CB 3.5Å; I134-V138 VanDerWaalsContact O-CG2 3.26Å; I134-V138 WeakPolarHBondContact O-CG2 3.23Å; I134-V138 PolarHBondContact O-N 3.46Å; N136-V138 VanDerWaalsContact C-N 3.34Å; N136-V138 PolarHBondContact O-N 3.44Å; V138-S142 WeakPolarHBondContact O-CB 3.3Å; V138-S142 PolarHBondContact O-N 2.83Å; V138-S142 PolarHBondContact O-OG 3.34Å
139	S	94.9	Very high	95.2	Very high	69 Å²	69	88.5 Å²	88.5	48%	0.483	49%	0.489	S	S	.	.	H	α-helix	trans	-65.8	-45.2	177.1	-60.5	0	0	0	0	111.3	N135 N136 Q137 S142 V143	N135-S139 WeakPolarHBondContact O-CB 3.39Å; N135-S139 PolarHBondContact O-N 3.5Å; N135-S139 PolarHBondContact O-OG 3.06Å; N136-S139 WeakPolarHBondContact O-CB 3.34Å; N136-S139 PolarHBondContact O-N 2.91Å; N136-S139 VanDerWaalsContact O-N 3.16Å; Q137-S139 VanDerWaalsContact C-N 3.34Å; Q137-S139 PolarHBondContact O-N 2.91Å; S139-S142 WeakPolarHBondContact O-CB 3.38Å; S139-S142 PolarHBondContact O-N 3.18Å; S139-V143 VanDerWaalsContact O-CG2 3.26Å; S139-V143 WeakPolarHBondContact O-CG2 3.46Å; S139-V143 PolarHBondContact O-N 3.33Å
140	E	95.9	Very high	94.8	Very high	128 Å²	128	87.3 Å²	87.3	60%	0.598	49%	0.492	S	S	*	.	H	α-helix	trans	-60.9	-47	175.4	-175.1	176.9	-169.1	0	0	111.6	N136 Q137 S142 V143 L144	N136-E140 PolarHBondContact O-N 2.9Å; Q137-E140 PolarHBondContact O-N 3.43Å; E140-S142 VanDerWaalsContact C-N 3.31Å; E140-S142 PolarHBondContact O-N 3.13Å; E140-V143 PolarHBondContact O-N 3.13Å; E140-L144 HydrophobicContact CG-CD1 4.38Å; E140-L144 WeakPolarHBondContact O-CG 3.43Å; E140-L144 PolarHBondContact O-N 3.36Å
141	L	95.1	Very high	94.4	Very high	99 Å²	99	92.8 Å²	92.8	52%	0.518	50%	0.502	S	S	.	.	H	α-helix	trans	-60.4	-40.4	175.2	-73.9	171.2	0	0	0	111.9	Q137 L144 I145	Q137-L141 WeakPolarHBondContact O-CB 3.32Å; Q137-L141 VanDerWaalsContact O-CG 3.25Å; Q137-L141 WeakPolarHBondContact O-CG 3.42Å; Q137-L141 PolarHBondContact O-N 3.02Å; L141-L144 PolarHBondContact O-N 3.49Å; L141-I145 WeakPolarHBondContact O-CB 3.25Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.33Å; L141-I145 PolarHBondContact O-N 2.99Å
142	S	94.4	Very high	94	Very high	65 Å²	65	95.1 Å²	95.1	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-63.5	-42.4	177.4	-61.1	0	0	0	0	111.6	V138 S139 E140 I145 A146	V138-S142 WeakPolarHBondContact O-CB 3.3Å; V138-S142 PolarHBondContact O-N 2.83Å; V138-S142 PolarHBondContact O-OG 3.34Å; S139-S142 WeakPolarHBondContact O-CB 3.38Å; S139-S142 PolarHBondContact O-N 3.18Å; E140-S142 VanDerWaalsContact C-N 3.31Å; E140-S142 PolarHBondContact O-N 3.13Å; S142-I145 PolarHBondContact O-N 2.78Å; S142-A146 WeakPolarHBondContact O-CB 3.37Å; S142-A146 PolarHBondContact O-N 3.43Å
143	V	94.8	Very high	93.3	Very high	93 Å²	93	97.1 Å²	97.1	56%	0.564	51%	0.51	S	S	*	.	H	α-helix	trans	-63.8	-41.6	174.5	175.3	0	0	0	0	111.2	S139 E140 S147	S139-V143 VanDerWaalsContact O-CG2 3.26Å; S139-V143 WeakPolarHBondContact O-CG2 3.46Å; S139-V143 PolarHBondContact O-N 3.33Å; E140-V143 PolarHBondContact O-N 3.13Å; V143-S147 VanDerWaalsContact O-CB 3.25Å; V143-S147 WeakPolarHBondContact O-CB 3.12Å; V143-S147 PolarHBondContact O-N 3.02Å; V143-S147 PolarHBondContact O-OG 3.43Å
144	L	94.1	Very high	92.4	Very high	94 Å²	94	96.9 Å²	96.9	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-43.7	176.3	-72.8	173.7	0	0	0	111.9	E140 L141 S147 K148	E140-L144 HydrophobicContact CG-CD1 4.38Å; E140-L144 WeakPolarHBondContact O-CG 3.43Å; E140-L144 PolarHBondContact O-N 3.36Å; L141-L144 PolarHBondContact O-N 3.49Å; L144-S147 PolarHBondContact O-N 2.79Å; L144-K148 WeakPolarHBondContact O-CB 3.11Å; L144-K148 PolarHBondContact O-N 3.06Å
145	I	93.7	Very high	91.7	Very high	108 Å²	108	95.2 Å²	95.2	55%	0.554	50%	0.504	S	S	*	.	H	α-helix	trans	-63.1	-50.4	176.5	-69.1	164.5	0	0	0	110.1	L141 S142 S147 K148 V149	L141-I145 WeakPolarHBondContact O-CB 3.25Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.33Å; L141-I145 PolarHBondContact O-N 2.99Å; S142-I145 PolarHBondContact O-N 2.78Å; I145-S147 VanDerWaalsContact C-N 3.3Å; I145-S147 PolarHBondContact O-N 2.81Å; I145-K148 WeakPolarHBondContact O-CB 3.37Å; I145-K148 PolarHBondContact O-N 3.06Å; I145-V149 HydrophobicContact CG2-CG2 4.35Å; I145-V149 WeakPolarHBondContact O-CG2 3.41Å; I145-V149 PolarHBondContact O-N 2.78Å
146	A	92.9	Very high	90.9	Very high	59 Å²	59	94.5 Å²	94.5	49%	0.488	50%	0.498	S	S	.	.	H	α-helix	trans	-58.5	-43.3	177.9	0	0	0	0	0	111.4	S142 K148 V149 L150	S142-A146 WeakPolarHBondContact O-CB 3.37Å; S142-A146 PolarHBondContact O-N 3.43Å; A146-K148 VanDerWaalsContact C-N 3.29Å; A146-K148 PolarHBondContact O-N 3.36Å; A146-V149 PolarHBondContact O-N 3.25Å; A146-L150 WeakPolarHBondContact O-CB 3.24Å; A146-L150 PolarHBondContact O-N 2.85Å
147	S	92.6	Very high	90	Very high	42 Å²	42	95.2 Å²	95.2	29%	0.294	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-32.1	176	-60.9	0	0	0	0	112.7	V143 L144 I145 R151	V143-S147 VanDerWaalsContact O-CB 3.25Å; V143-S147 WeakPolarHBondContact O-CB 3.12Å; V143-S147 PolarHBondContact O-N 3.02Å; V143-S147 PolarHBondContact O-OG 3.43Å; L144-S147 PolarHBondContact O-N 2.79Å; I145-S147 VanDerWaalsContact C-N 3.3Å; I145-S147 PolarHBondContact O-N 2.81Å; S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 VanDerWaalsContact O-CG 3.29Å; S147-R151 WeakPolarHBondContact O-CG 3.2Å; S147-R151 PolarHBondContact O-N 3.47Å; S147-R151 PolarHBondContact O-NE 3.2Å
148	K	92.1	Very high	89.2	Confident	159 Å²	159	95.1 Å²	95.1	69%	0.691	50%	0.501	S	S	*	.	H	α-helix	trans	-75.6	-40.4	176.6	-167.4	173.5	-175.8	176.4	0	111.7	L144 I145 A146 K152	L144-K148 WeakPolarHBondContact O-CB 3.11Å; L144-K148 PolarHBondContact O-N 3.06Å; I145-K148 WeakPolarHBondContact O-CB 3.37Å; I145-K148 PolarHBondContact O-N 3.06Å; A146-K148 VanDerWaalsContact C-N 3.29Å; A146-K148 PolarHBondContact O-N 3.36Å; K148-K152 PolarHBondContact O-N 3.25Å; K148-K152 VanDerWaalsContact O-N 3.11Å
149	V	92.3	Very high	88.2	Confident	82 Å²	82	97.3 Å²	97.3	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-48.4	174.9	173.9	0	0	0	0	110.5	I145 A146 R151 K152 E153	I145-V149 HydrophobicContact CG2-CG2 4.35Å; I145-V149 WeakPolarHBondContact O-CG2 3.41Å; I145-V149 PolarHBondContact O-N 2.78Å; A146-V149 PolarHBondContact O-N 3.25Å; V149-R151 VanDerWaalsContact C-N 3.35Å; V149-R151 PolarHBondContact O-N 3.47Å; V149-K152 WeakPolarHBondContact O-CB 3.44Å; V149-K152 PolarHBondContact O-N 2.91Å; V149-E153 HydrophobicContact CG1-CG 4.47Å; V149-E153 PolarHBondContact O-N 3.37Å
150	L	88.8	Confident	87.5	Confident	108 Å²	108	101.5 Å²	101.5	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-60.1	-42.9	178.3	-175.9	63	0	0	0	112	A146 K152 E153 I154	A146-L150 WeakPolarHBondContact O-CB 3.24Å; A146-L150 PolarHBondContact O-N 2.85Å; L150-K152 VanDerWaalsContact C-N 3.29Å; L150-K152 PolarHBondContact O-N 3.35Å; L150-E153 PolarHBondContact O-N 3.22Å; L150-I154 HydrophobicContact CD1-CD1 4.12Å; L150-I154 HydrophobicContact CD1-CG1 4.34Å; L150-I154 HydrophobicContact CG-CD1 3.9Å; L150-I154 WeakPolarHBondContact O-CB 3.36Å; L150-I154 VanDerWaalsContact O-CG1 3.26Å; L150-I154 WeakPolarHBondContact O-CG1 3.21Å; L150-I154 PolarHBondContact O-N 3.48Å
151	R	89	Confident	86.8	Confident	165 Å²	165	98.4 Å²	98.4	62%	0.623	51%	0.511	S	S	*	.	H	α-helix	trans	-60.4	-36.5	173.6	-82.3	-178	-89.9	-130.8	5	112.9	S147 V149 S155	S147-R151 WeakPolarHBondContact O-CB 3.42Å; S147-R151 VanDerWaalsContact O-CG 3.29Å; S147-R151 WeakPolarHBondContact O-CG 3.2Å; S147-R151 PolarHBondContact O-N 3.47Å; S147-R151 PolarHBondContact O-NE 3.2Å; V149-R151 VanDerWaalsContact C-N 3.35Å; V149-R151 PolarHBondContact O-N 3.47Å; R151-S155 WeakPolarHBondContact O-CB 3.48Å; R151-S155 PolarHBondContact O-N 2.87Å; R151-S155 VanDerWaalsContact O-N 3.14Å
152	K	87.3	Confident	85.9	Confident	131 Å²	131	98.2 Å²	98.2	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-71	-46.7	177.5	-168.8	-175.1	176.4	-155.6	0	111.8	K148 V149 L150 I154 S155 E156	K148-K152 PolarHBondContact O-N 3.25Å; K148-K152 VanDerWaalsContact O-N 3.11Å; V149-K152 WeakPolarHBondContact O-CB 3.44Å; V149-K152 PolarHBondContact O-N 2.91Å; L150-K152 VanDerWaalsContact C-N 3.29Å; L150-K152 PolarHBondContact O-N 3.35Å; K152-I154 PolarHBondContact O-N 3.02Å; K152-S155 WeakPolarHBondContact O-CB 3.38Å; K152-S155 PolarHBondContact O-N 2.92Å; K152-E156 WeakPolarHBondContact CE-OE1 3.36Å; K152-E156 IonicContact NZ-OE1 4Å; K152-E156 PolarHBondContact O-N 3.42Å
153	E	82.9	Confident	85.3	Confident	92 Å²	92	99.1 Å²	99.1	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177.5	-73.6	-63.9	131.6	0	0	112.1	V149 L150 S155 E156 Q157	V149-E153 HydrophobicContact CG1-CG 4.47Å; V149-E153 PolarHBondContact O-N 3.37Å; L150-E153 PolarHBondContact O-N 3.22Å; E153-S155 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 3.49Å; E153-E156 PolarHBondContact O-N 2.86Å; E153-Q157 WeakPolarHBondContact O-CG 3.45Å; E153-Q157 PolarHBondContact O-N 2.73Å
154	I	78.6	Confident	84.7	Confident	80 Å²	80	98.5 Å²	98.5	41%	0.41	51%	0.507	S	S	.	.	H	α-helix	trans	-59.7	-46.2	173.8	-68.6	169.7	0	0	0	110	L150 K152 E156 Q157 D158	L150-I154 HydrophobicContact CD1-CD1 4.12Å; L150-I154 HydrophobicContact CD1-CG1 4.34Å; L150-I154 HydrophobicContact CG-CD1 3.9Å; L150-I154 WeakPolarHBondContact O-CB 3.36Å; L150-I154 VanDerWaalsContact O-CG1 3.26Å; L150-I154 WeakPolarHBondContact O-CG1 3.21Å; L150-I154 PolarHBondContact O-N 3.48Å; K152-I154 PolarHBondContact O-N 3.02Å; I154-E156 PolarHBondContact O-N 2.89Å; I154-Q157 PolarHBondContact O-N 2.8Å; I154-D158 WeakPolarHBondContact O-CB 3.41Å; I154-D158 PolarHBondContact O-N 2.86Å
155	S	81.7	Confident	84.1	Confident	59 Å²	59	100 Å²	100	41%	0.413	51%	0.509	S	S	.	.	H	α-helix	trans	-62.1	-37.1	177	-178.7	0	0	0	0	113.5	R151 K152 E153 Q159	R151-S155 WeakPolarHBondContact O-CB 3.48Å; R151-S155 PolarHBondContact O-N 2.87Å; R151-S155 VanDerWaalsContact O-N 3.14Å; K152-S155 WeakPolarHBondContact O-CB 3.38Å; K152-S155 PolarHBondContact O-N 2.92Å; E153-S155 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 3.49Å; S155-Q159 WeakPolarHBondContact O-CG 3.41Å; S155-Q159 PolarHBondContact O-N 2.87Å
156	E	78.8	Confident	83.4	Confident	74 Å²	74	102.4 Å²	102.4	35%	0.346	51%	0.513	S	S	.	.	H	α-helix	trans	-71.2	-36.9	176.5	-72.9	-172.5	-163.5	0	0	111.7	K152 E153 I154 Q159 K160	K152-E156 WeakPolarHBondContact CE-OE1 3.36Å; K152-E156 IonicContact NZ-OE1 4Å; K152-E156 PolarHBondContact O-N 3.42Å; E153-E156 PolarHBondContact O-N 2.86Å; I154-E156 PolarHBondContact O-N 2.89Å; E156-Q159 PolarHBondContact O-N 3.42Å; E156-K160 PolarHBondContact O-N 3.32Å
157	Q	78.9	Confident	82.8	Confident	124 Å²	124	105.2 Å²	105.2	58%	0.579	52%	0.519	S	S	*	.	H	α-helix	trans	-65.8	-42.4	172.4	-72	-180	11.9	0	0	111.7	E153 I154 Q159 K160 A161	E153-Q157 WeakPolarHBondContact O-CG 3.45Å; E153-Q157 PolarHBondContact O-N 2.73Å; I154-Q157 PolarHBondContact O-N 2.8Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 3.34Å; Q157-K160 PolarHBondContact O-N 3.31Å; Q157-A161 WeakPolarHBondContact O-CB 3.49Å; Q157-A161 PolarHBondContact O-N 2.91Å
158	D	78.7	Confident	82.3	Confident	93 Å²	93	109.7 Å²	109.7	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-61.9	-40.5	175.6	-69.2	-23.4	0	0	0	111.3	I154 A161 L162	I154-D158 WeakPolarHBondContact O-CB 3.41Å; I154-D158 PolarHBondContact O-N 2.86Å; D158-A161 PolarHBondContact O-N 3.21Å; D158-L162 VanDerWaalsContact O-CG 3.32Å; D158-L162 WeakPolarHBondContact O-CG 3.28Å; D158-L162 PolarHBondContact O-N 3.28Å
159	Q	75.1	Confident	81.7	Confident	120 Å²	120	108 Å²	108	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-43.5	173.5	-78.2	-179.4	-7	0	0	112.4	S155 E156 Q157 L162 V163	S155-Q159 WeakPolarHBondContact O-CG 3.41Å; S155-Q159 PolarHBondContact O-N 2.87Å; E156-Q159 PolarHBondContact O-N 3.42Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 3.34Å; Q159-L162 PolarHBondContact O-N 2.91Å; Q159-V163 WeakPolarHBondContact O-CG2 3.32Å; Q159-V163 PolarHBondContact O-N 2.9Å
160	K	79.5	Confident	80.9	Confident	157 Å²	157	107.5 Å²	107.5	68%	0.683	53%	0.532	S	S	*	.	H	α-helix	trans	-64.3	-41.6	175.6	-77.5	179.5	-179.2	171.6	0	112.2	E156 Q157 L162 V163 D164	E156-K160 PolarHBondContact O-N 3.32Å; Q157-K160 PolarHBondContact O-N 3.31Å; K160-L162 VanDerWaalsContact C-N 3.31Å; K160-L162 PolarHBondContact O-N 3.36Å; K160-V163 PolarHBondContact O-N 3.49Å; K160-D164 PolarHBondContact O-N 3.41Å
161	A	80.8	Confident	79.9	Confident	62 Å²	62	105.2 Å²	105.2	51%	0.512	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-38.9	176.5	0	0	0	0	0	111.8	Q157 D158 K165	Q157-A161 WeakPolarHBondContact O-CB 3.49Å; Q157-A161 PolarHBondContact O-N 2.91Å; D158-A161 PolarHBondContact O-N 3.21Å; A161-K165 WeakPolarHBondContact O-CB 3.27Å; A161-K165 PolarHBondContact O-N 3.17Å; A161-K165 VanDerWaalsContact O-N 3.09Å
162	L	77.1	Confident	78.5	Confident	95 Å²	95	104.5 Å²	104.5	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-62.6	-47.4	172.2	-75.4	162.6	0	0	0	111.5	D158 Q159 K160 K165 Y166	D158-L162 VanDerWaalsContact O-CG 3.32Å; D158-L162 WeakPolarHBondContact O-CG 3.28Å; D158-L162 PolarHBondContact O-N 3.28Å; Q159-L162 PolarHBondContact O-N 2.91Å; K160-L162 VanDerWaalsContact C-N 3.31Å; K160-L162 PolarHBondContact O-N 3.36Å; L162-K165 PolarHBondContact O-N 2.89Å; L162-Y166 WeakPolarHBondContact O-CD2 3.22Å; L162-Y166 PolarHBondContact O-N 3.22Å
163	V	81.2	Confident	76.7	Confident	84 Å²	84	110.1 Å²	110.1	51%	0.509	57%	0.567	S	S	.	*	H	α-helix	trans	-63.2	-43	179.6	173.4	0	0	0	0	112.2	Q159 K160 K165 Y166 L167	Q159-V163 WeakPolarHBondContact O-CG2 3.32Å; Q159-V163 PolarHBondContact O-N 2.9Å; K160-V163 PolarHBondContact O-N 3.49Å; V163-K165 VanDerWaalsContact C-N 3.31Å; V163-K165 PolarHBondContact O-N 3.43Å; V163-Y166 PolarHBondContact O-N 2.86Å; V163-L167 HydrophobicContact CG1-CD1 3.91Å; V163-L167 WeakPolarHBondContact O-CB 3.28Å; V163-L167 PolarHBondContact O-N 3.34Å
164	D	82.2	Confident	76.3	Confident	80 Å²	80	111 Å²	111	43%	0.428	57%	0.574	S	S	.	*	H	α-helix	trans	-62.4	-39.4	176.1	-172.5	62	0	0	0	111.6	K160 L167 K168	K160-D164 PolarHBondContact O-N 3.41Å; D164-L167 PolarHBondContact O-N 2.8Å; D164-K168 WeakPolarHBondContact O-CB 3.45Å; D164-K168 PolarHBondContact O-N 2.89Å; D164-K168 WeakPolarHBondContact OD2-CE 3.43Å; D164-K168 IonicContact OD2-NZ 3.56Å; D164-K168 PolarHBondContact OD2-NZ 3.42Å
165	K	82.2	Confident	76.2	Confident	126 Å²	126	112.6 Å²	112.6	55%	0.548	58%	0.583	S	S	.	*	H	α-helix	trans	-63.8	-43.9	174.4	-168.3	179.8	177.4	-174.2	0	111.9	A161 L162 V163 K168 E169	A161-K165 WeakPolarHBondContact O-CB 3.27Å; A161-K165 PolarHBondContact O-N 3.17Å; A161-K165 VanDerWaalsContact O-N 3.09Å; L162-K165 PolarHBondContact O-N 2.89Å; V163-K165 VanDerWaalsContact C-N 3.31Å; V163-K165 PolarHBondContact O-N 3.43Å; K165-K168 PolarHBondContact O-N 2.97Å; K165-E169 WeakPolarHBondContact CE-OE1 3.4Å; K165-E169 WeakPolarHBondContact O-CB 3.44Å; K165-E169 WeakPolarHBondContact O-CG 3.41Å; K165-E169 PolarHBondContact O-N 3.41Å
166	Y	78.2	Confident	75.9	Confident	159 Å²	159	115.6 Å²	115.6	62%	0.624	59%	0.592	S	S	*	*	H	α-helix	trans	-64.7	-39.8	175.2	-79.5	-68	0	0	0	112.8	L162 V163 E169 A170	L162-Y166 WeakPolarHBondContact O-CD2 3.22Å; L162-Y166 PolarHBondContact O-N 3.22Å; V163-Y166 PolarHBondContact O-N 2.86Å; Y166-E169 PolarHBondContact O-N 3.48Å; Y166-A170 WeakPolarHBondContact O-CB 3.22Å; Y166-A170 PolarHBondContact O-N 3.03Å
167	L	80.5	Confident	75.7	Confident	117 Å²	117	118.1 Å²	118.1	61%	0.613	61%	0.607	S	S	*	*	H	α-helix	trans	-64.6	-42.2	176.1	-84.8	160.7	0	0	0	111.9	V163 D164 A170 G171	V163-L167 HydrophobicContact CG1-CD1 3.91Å; V163-L167 WeakPolarHBondContact O-CB 3.28Å; V163-L167 PolarHBondContact O-N 3.34Å; D164-L167 PolarHBondContact O-N 2.8Å; L167-A170 PolarHBondContact O-N 2.9Å; L167-G171 PolarHBondContact O-N 2.92Å
168	K	82.7	Confident	75.5	Confident	137 Å²	137	117.7 Å²	117.7	60%	0.596	61%	0.608	S	S	*	*	H	α-helix	trans	-64.3	-42.3	174.4	-79	173.4	178.1	152	0	112.1	D164 K165 A170	D164-K168 WeakPolarHBondContact O-CB 3.45Å; D164-K168 PolarHBondContact O-N 2.89Å; D164-K168 WeakPolarHBondContact OD2-CE 3.43Å; D164-K168 IonicContact OD2-NZ 3.56Å; D164-K168 PolarHBondContact OD2-NZ 3.42Å; K165-K168 PolarHBondContact O-N 2.97Å; K168-A170 VanDerWaalsContact C-N 3.34Å
169	E	79.9	Confident	75.3	Confident	122 Å²	122	119.3 Å²	119.3	57%	0.57	62%	0.616	S	S	*	*	H	α-helix	trans	-71	-27.2	177.4	-72.6	177.4	-169.4	0	0	113.2	K165 Y166	K165-E169 WeakPolarHBondContact CE-OE1 3.4Å; K165-E169 WeakPolarHBondContact O-CB 3.44Å; K165-E169 WeakPolarHBondContact O-CG 3.41Å; K165-E169 PolarHBondContact O-N 3.41Å; Y166-E169 PolarHBondContact O-N 3.48Å
170	A	75.5	Confident	75.4	Confident	72 Å²	72	119.3 Å²	119.3	60%	0.595	62%	0.62	S	S	*	*	H	α-helix	trans	-89.1	-28.4	178.7	0	0	0	0	0	114.2	Y166 L167 K168	Y166-A170 WeakPolarHBondContact O-CB 3.22Å; Y166-A170 PolarHBondContact O-N 3.03Å; L167-A170 PolarHBondContact O-N 2.9Å; K168-A170 VanDerWaalsContact C-N 3.34Å
171	G	67.5	Low	75	Confident	60 Å²	60	116.4 Å²	116.4	62%	0.619	62%	0.615	S	S	*	*	H	α-helix	trans	-83	-7.5	179.5	0	0	0	0	0	114.8	L167 K173	L167-G171 PolarHBondContact O-N 2.92Å; G171-K173 VanDerWaalsContact C-N 3.32Å; G171-K173 PolarHBondContact O-N 3.02Å
172	D	59.2	Low	74.6	Confident	150 Å²	150	120.9 Å²	120.9	80%	0.802	62%	0.624	S	S	*	*			trans	-95.5	36.7	-178.7	-136.8	18.5	0	0	0	112.6
173	K	48.6	Very low	74.3	Confident	249 Å²	249	123.3 Å²	123.3	100%	1.083	64%	0.635	S	S	*	*			trans	-123.8	0	170.1	-69.5	-172.1	-177.3	175.8	0	110.5	G171	G171-K173 VanDerWaalsContact C-N 3.32Å; G171-K173 PolarHBondContact O-N 3.02Å

Retrieved 173 of 173 residues in 42.7 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).