A0A077Z994_TRITR Loading...

V-type proton ATPase subunit G

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment.

AlphaFold DB , UniProt , Accession A0A077Z994, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 aa.

						>A0A077Z994_TRITR|A0A077Z994
MASATDGIQQLLQAEKTASEKVGEARKRKEKRMKQAKIEAQQEIEKYREEREAQFREHESKHLKSTDDVSVRIEQEAAEKLKRTQYIASLNKGKVIEMLLKLTCDVTPKLHANVRA
					

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	56.4	Low	80.1	Confident	218 Å²	218	103.1 Å²	103.1	100%	1.074	60%	0.601	S	S	*	*				0	-34.8	0	-67.2	-68.7	-152.5	0	0	113
2	A	61.5	Low	81.3	Confident	81 Å²	81	102.7 Å²	102.7	67%	0.669	59%	0.594	S	S	*	*	H	α-helix	trans	-67.3	-33.6	-178.7	0	0	0	0	0	115.4	A4 T5 D6	A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.42Å; A2-T5 PolarHBondContact O-N 3.35Å; A2-D6 PolarHBondContact O-N 3.28Å
3	S	65.6	Low	82.3	Confident	107 Å²	107	105.2 Å²	105.2	75%	0.748	60%	0.596	S	S	*	*	H	α-helix	trans	-68.1	-28	-176	-43.8	0	0	0	0	114.1	G7	S3-G7 PolarHBondContact O-N 3.36Å
4	A	73.6	Confident	83.2	Confident	69 Å²	69	101.4 Å²	101.4	57%	0.57	58%	0.584	S	S	*	*	H	α-helix	trans	-70.7	-36.2	177.2	0	0	0	0	0	111.5	A2 I8	A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.42Å; A4-I8 WeakPolarHBondContact O-CD1 3.46Å; A4-I8 WeakPolarHBondContact O-CG1 3.45Å; A4-I8 PolarHBondContact O-N 3.29Å
5	T	81.9	Confident	84	Confident	81 Å²	81	103.4 Å²	103.4	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-71	-38.8	-179.7	-42.3	0	0	0	0	112.1	A2 I8 Q9	A2-T5 PolarHBondContact O-N 3.35Å; T5-I8 PolarHBondContact O-N 3.11Å; T5-Q9 WeakPolarHBondContact O-CG 3.38Å; T5-Q9 PolarHBondContact O-N 3.1Å; T5-Q9 VanDerWaalsContact O-N 3.1Å
6	D	85.6	Confident	84.8	Confident	85 Å²	85	105.4 Å²	105.4	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-66.2	-42.3	178.9	-168.2	27.2	0	0	0	112	A2 I8 Q9 Q10	A2-D6 PolarHBondContact O-N 3.28Å; D6-I8 VanDerWaalsContact C-N 3.34Å; D6-I8 PolarHBondContact O-N 3.01Å; D6-Q9 PolarHBondContact O-N 3.18Å; D6-Q10 WeakPolarHBondContact O-CG 3.48Å; D6-Q10 PolarHBondContact O-N 3.37Å
7	G	89.6	Confident	85.5	Confident	31 Å²	31	103.7 Å²	103.7	32%	0.32	58%	0.58	S	S	.	*	H	α-helix	trans	-60.7	-39.5	175.1	0	0	0	0	0	113.4	S3 Q10 L11	S3-G7 PolarHBondContact O-N 3.36Å; G7-Q10 PolarHBondContact O-N 3.4Å; G7-L11 WeakPolarHBondContact O-CG 3.27Å; G7-L11 PolarHBondContact O-N 3.47Å; G7-L11 VanDerWaalsContact O-N 3.11Å
8	I	89.6	Confident	86.1	Confident	102 Å²	102	100.9 Å²	100.9	52%	0.523	57%	0.572	S	S	.	*	H	α-helix	trans	-66.1	-41.9	175.6	-66.7	165.7	0	0	0	110.8	A4 T5 D6 Q10 L11 L12	A4-I8 WeakPolarHBondContact O-CD1 3.46Å; A4-I8 WeakPolarHBondContact O-CG1 3.45Å; A4-I8 PolarHBondContact O-N 3.29Å; T5-I8 PolarHBondContact O-N 3.11Å; D6-I8 VanDerWaalsContact C-N 3.34Å; D6-I8 PolarHBondContact O-N 3.01Å; I8-Q10 PolarHBondContact O-N 3.37Å; I8-L11 PolarHBondContact O-N 3.46Å; I8-L12 HydrophobicContact CG2-CD1 3.99Å; I8-L12 HydrophobicContact CG2-CG 4.36Å; I8-L12 WeakPolarHBondContact O-CG 3.37Å; I8-L12 PolarHBondContact O-N 3.46Å
9	Q	90.6	Very high	86.6	Confident	119 Å²	119	99.8 Å²	99.8	56%	0.556	57%	0.572	S	S	*	*	H	α-helix	trans	-61.9	-41.7	177.2	-74	-177	-10.6	0	0	112.2	T5 D6 L12 Q13	T5-Q9 WeakPolarHBondContact O-CG 3.38Å; T5-Q9 PolarHBondContact O-N 3.1Å; T5-Q9 VanDerWaalsContact O-N 3.1Å; D6-Q9 PolarHBondContact O-N 3.18Å; Q9-L12 PolarHBondContact O-N 2.84Å; Q9-Q13 WeakPolarHBondContact O-CB 3.38Å; Q9-Q13 PolarHBondContact O-N 2.93Å
10	Q	93	Very high	87.1	Confident	115 Å²	115	100 Å²	100	54%	0.537	57%	0.567	S	S	.	*	H	α-helix	trans	-62.6	-42.3	175.4	-69.6	177.6	16	0	0	112.3	D6 G7 I8 Q13 A14	D6-Q10 WeakPolarHBondContact O-CG 3.48Å; D6-Q10 PolarHBondContact O-N 3.37Å; G7-Q10 PolarHBondContact O-N 3.4Å; I8-Q10 PolarHBondContact O-N 3.37Å; Q10-Q13 PolarHBondContact O-N 3.48Å; Q10-A14 WeakPolarHBondContact O-CB 3.44Å; Q10-A14 PolarHBondContact O-N 2.9Å
11	L	93.8	Very high	87.6	Confident	126 Å²	126	102.9 Å²	102.9	66%	0.66	57%	0.573	S	S	*	*	H	α-helix	trans	-63.7	-42.6	175.8	-70.8	173.8	0	0	0	112.1	G7 I8 Q13 A14 E15	G7-L11 WeakPolarHBondContact O-CG 3.27Å; G7-L11 PolarHBondContact O-N 3.47Å; G7-L11 VanDerWaalsContact O-N 3.11Å; I8-L11 PolarHBondContact O-N 3.46Å; L11-Q13 VanDerWaalsContact C-N 3.35Å; L11-Q13 PolarHBondContact O-N 3.29Å; L11-A14 PolarHBondContact O-N 3.48Å; L11-E15 WeakPolarHBondContact O-CB 3.5Å; L11-E15 PolarHBondContact O-N 3.35Å
12	L	94.2	Very high	89.6	Confident	98 Å²	98	96.2 Å²	96.2	51%	0.513	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-38.5	176.3	-70.5	171.8	0	0	0	112.1	I8 Q9 E15 K16	I8-L12 HydrophobicContact CG2-CD1 3.99Å; I8-L12 HydrophobicContact CG2-CG 4.36Å; I8-L12 WeakPolarHBondContact O-CG 3.37Å; I8-L12 PolarHBondContact O-N 3.46Å; Q9-L12 PolarHBondContact O-N 2.84Å; L12-E15 PolarHBondContact O-N 2.96Å; L12-K16 WeakPolarHBondContact O-CB 3.41Å; L12-K16 PolarHBondContact O-N 2.93Å
13	Q	94.4	Very high	91.3	Very high	135 Å²	135	93.8 Å²	93.8	63%	0.631	53%	0.528	S	S	*	.	H	α-helix	trans	-68.3	-39.8	174.9	-172	175.2	3.8	0	0	111.7	Q9 Q10 L11 K16 T17	Q9-Q13 WeakPolarHBondContact O-CB 3.38Å; Q9-Q13 PolarHBondContact O-N 2.93Å; Q10-Q13 PolarHBondContact O-N 3.48Å; L11-Q13 VanDerWaalsContact C-N 3.35Å; L11-Q13 PolarHBondContact O-N 3.29Å; Q13-K16 PolarHBondContact O-N 3.02Å; Q13-T17 VanDerWaalsContact O-CG2 3.31Å; Q13-T17 WeakPolarHBondContact O-CG2 3.35Å; Q13-T17 PolarHBondContact O-N 3.34Å; Q13-T17 PolarHBondContact O-OG1 2.86Å
14	A	95.3	Very high	92.8	Very high	52 Å²	52	93.7 Å²	93.7	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-41.3	173.6	0	0	0	0	0	111.9	Q10 L11 T17 A18	Q10-A14 WeakPolarHBondContact O-CB 3.44Å; Q10-A14 PolarHBondContact O-N 2.9Å; L11-A14 PolarHBondContact O-N 3.48Å; A14-T17 WeakPolarHBondContact CA-OG1 3.35Å; A14-T17 PolarHBondContact O-N 3.36Å; A14-T17 PolarHBondContact O-OG1 3.49Å; A14-A18 VanDerWaalsContact O-CB 3.27Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 2.96Å
15	E	95.7	Very high	93.9	Very high	132 Å²	132	93 Å²	93	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-62.6	-45.5	175.1	-174.9	179.2	-174.9	0	0	111.4	L11 L12 A18 S19	L11-E15 WeakPolarHBondContact O-CB 3.5Å; L11-E15 PolarHBondContact O-N 3.35Å; L12-E15 PolarHBondContact O-N 2.96Å; E15-A18 PolarHBondContact O-N 3.41Å; E15-S19 VanDerWaalsContact O-CB 3.26Å; E15-S19 WeakPolarHBondContact O-CB 3.34Å; E15-S19 PolarHBondContact O-N 3.42Å
16	K	96.3	Very high	94.7	Very high	136 Å²	136	98 Å²	98	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-60.3	-49	176.9	-174.9	178.6	175.5	-176.8	0	111.9	L12 Q13 A18 S19 E20	L12-K16 WeakPolarHBondContact O-CB 3.41Å; L12-K16 PolarHBondContact O-N 2.93Å; Q13-K16 PolarHBondContact O-N 3.02Å; K16-A18 PolarHBondContact O-N 2.98Å; K16-S19 PolarHBondContact O-N 2.98Å; K16-E20 WeakPolarHBondContact CE-OE1 3.46Å; K16-E20 WeakPolarHBondContact O-CB 3.31Å; K16-E20 WeakPolarHBondContact O-CG 3.36Å; K16-E20 PolarHBondContact O-N 2.98Å
17	T	96.1	Very high	95.2	Very high	76 Å²	76	101.5 Å²	101.5	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-38.3	179.6	53.5	0	0	0	0	112.3	Q13 A14 K21	Q13-T17 VanDerWaalsContact O-CG2 3.31Å; Q13-T17 WeakPolarHBondContact O-CG2 3.35Å; Q13-T17 PolarHBondContact O-N 3.34Å; Q13-T17 PolarHBondContact O-OG1 2.86Å; A14-T17 WeakPolarHBondContact CA-OG1 3.35Å; A14-T17 PolarHBondContact O-N 3.36Å; A14-T17 PolarHBondContact O-OG1 3.49Å; T17-K21 WeakPolarHBondContact O-CB 3.43Å; T17-K21 PolarHBondContact O-N 3.29Å
18	A	96.3	Very high	95.6	Very high	53 Å²	53	107.8 Å²	107.8	44%	0.438	55%	0.545	S	S	.	.	H	α-helix	trans	-65	-44.4	173.7	0	0	0	0	0	111.7	A14 E15 K16 K21 V22	A14-A18 VanDerWaalsContact O-CB 3.27Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 2.96Å; E15-A18 PolarHBondContact O-N 3.41Å; K16-A18 PolarHBondContact O-N 2.98Å; A18-K21 PolarHBondContact O-N 2.98Å; A18-V22 WeakPolarHBondContact O-CG2 3.26Å; A18-V22 PolarHBondContact O-N 2.88Å
19	S	96.3	Very high	96	Very high	81 Å²	81	110.1 Å²	110.1	57%	0.566	55%	0.551	S	S	*	*	H	α-helix	trans	-61.1	-45.2	176.6	-173.6	0	0	0	0	111.7	E15 K16 V22 G23	E15-S19 VanDerWaalsContact O-CB 3.26Å; E15-S19 WeakPolarHBondContact O-CB 3.34Å; E15-S19 PolarHBondContact O-N 3.42Å; K16-S19 PolarHBondContact O-N 2.98Å; S19-V22 PolarHBondContact O-N 3.3Å; S19-G23 PolarHBondContact O-N 2.84Å
20	E	96.9	Very high	96.3	Very high	103 Å²	103	109.6 Å²	109.6	48%	0.481	55%	0.548	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175	-74.9	172.6	-179.1	0	0	111.7	K16 V22 G23 E24	K16-E20 WeakPolarHBondContact CE-OE1 3.46Å; K16-E20 WeakPolarHBondContact O-CB 3.31Å; K16-E20 WeakPolarHBondContact O-CG 3.36Å; K16-E20 PolarHBondContact O-N 2.98Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-V22 PolarHBondContact O-N 3.04Å; E20-G23 PolarHBondContact O-N 2.92Å; E20-G23 VanDerWaalsContact O-N 3.14Å; E20-E24 PolarHBondContact O-N 3.4Å
21	K	97.3	Very high	96.5	Very high	161 Å²	161	111.6 Å²	111.6	70%	0.7	56%	0.555	S	S	*	*	H	α-helix	trans	-60.3	-41.9	177.8	-171.8	175.9	-176.8	177.1	0	112.3	T17 A18 A25	T17-K21 WeakPolarHBondContact O-CB 3.43Å; T17-K21 PolarHBondContact O-N 3.29Å; A18-K21 PolarHBondContact O-N 2.98Å; K21-A25 WeakPolarHBondContact O-CB 3.08Å; K21-A25 PolarHBondContact O-N 3.36Å
22	V	97.4	Very high	96.7	Very high	78 Å²	78	114.8 Å²	114.8	47%	0.473	56%	0.559	S	S	.	*	H	α-helix	trans	-67.9	-40.6	175.2	173.3	0	0	0	0	110.9	A18 S19 E20 A25 R26	A18-V22 WeakPolarHBondContact O-CG2 3.26Å; A18-V22 PolarHBondContact O-N 2.88Å; S19-V22 PolarHBondContact O-N 3.3Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-V22 PolarHBondContact O-N 3.04Å; V22-A25 PolarHBondContact O-N 2.96Å; V22-R26 WeakPolarHBondContact O-CG 3.4Å; V22-R26 PolarHBondContact O-N 2.98Å
23	G	97.2	Very high	96.8	Very high	30 Å²	30	115.5 Å²	115.5	31%	0.309	56%	0.561	S	S	.	*	H	α-helix	trans	-60	-46.3	175.5	0	0	0	0	0	112.6	S19 E20 R26 K27	S19-G23 PolarHBondContact O-N 2.84Å; E20-G23 PolarHBondContact O-N 2.92Å; E20-G23 VanDerWaalsContact O-N 3.14Å; G23-R26 PolarHBondContact O-N 3.39Å; G23-K27 WeakPolarHBondContact O-CG 3.43Å; G23-K27 PolarHBondContact O-N 2.88Å
24	E	97.1	Very high	97	Very high	104 Å²	104	114.7 Å²	114.7	49%	0.486	56%	0.555	S	S	.	*	H	α-helix	trans	-61.5	-44.1	173.8	-73.5	-168.6	176.5	0	0	112.3	E20 R26 K27 R28	E20-E24 PolarHBondContact O-N 3.4Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R26 PolarHBondContact O-N 3.36Å; E24-K27 PolarHBondContact O-N 3.14Å; E24-R28 WeakPolarHBondContact O-CG 3.35Å; E24-R28 PolarHBondContact O-N 3.4Å; E24-R28 IonicContact OE2-CZ 3.81Å; E24-R28 IonicContact OE2-NH2 2.69Å; E24-R28 PolarHBondContact OE2-NH2 2.96Å
25	A	97.4	Very high	97.1	Very high	55 Å²	55	115.9 Å²	115.9	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-60.3	-41.8	177.6	0	0	0	0	0	111.8	K21 V22 R28 K29	K21-A25 WeakPolarHBondContact O-CB 3.08Å; K21-A25 PolarHBondContact O-N 3.36Å; V22-A25 PolarHBondContact O-N 2.96Å; A25-R28 PolarHBondContact O-N 3.27Å; A25-K29 PolarHBondContact O-N 2.85Å
26	R	97.6	Very high	97.2	Very high	186 Å²	186	112.1 Å²	112.1	70%	0.702	54%	0.543	S	S	*	.	H	α-helix	trans	-62.7	-46.8	174.6	-72	178.7	-177.9	-163.1	1.9	111.9	V22 G23 E24 R28 K29 E30	V22-R26 WeakPolarHBondContact O-CG 3.4Å; V22-R26 PolarHBondContact O-N 2.98Å; G23-R26 PolarHBondContact O-N 3.39Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R26 PolarHBondContact O-N 3.36Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-R28 PolarHBondContact O-N 3.42Å; R26-K29 PolarHBondContact O-N 3.28Å; R26-E30 PolarHBondContact O-N 2.96Å
27	K	97.3	Very high	97.2	Very high	158 Å²	158	113 Å²	113	69%	0.687	55%	0.547	S	S	*	.	H	α-helix	trans	-59.5	-42.4	175.8	-72.8	179.1	-178.7	178.5	0	112	G23 E24 E30 K31	G23-K27 WeakPolarHBondContact O-CG 3.43Å; G23-K27 PolarHBondContact O-N 2.88Å; E24-K27 PolarHBondContact O-N 3.14Å; K27-E30 PolarHBondContact O-N 3.02Å; K27-K31 WeakPolarHBondContact O-CB 3.39Å; K27-K31 PolarHBondContact O-N 3.43Å
28	R	97.4	Very high	97.3	Very high	164 Å²	164	113.4 Å²	113.4	62%	0.619	55%	0.545	S	S	*	.	H	α-helix	trans	-63.4	-43.3	176.2	-72.9	179.4	-169.8	152.2	14.2	111.8	E24 A25 R26 K31 R32	E24-R28 WeakPolarHBondContact O-CG 3.35Å; E24-R28 PolarHBondContact O-N 3.4Å; E24-R28 IonicContact OE2-CZ 3.81Å; E24-R28 IonicContact OE2-NH2 2.69Å; E24-R28 PolarHBondContact OE2-NH2 2.96Å; A25-R28 PolarHBondContact O-N 3.27Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-R28 PolarHBondContact O-N 3.42Å; R28-K31 PolarHBondContact O-N 3.4Å; R28-R32 WeakPolarHBondContact O-CG 3.49Å; R28-R32 PolarHBondContact O-N 2.96Å
29	K	97.7	Very high	97.3	Very high	151 Å²	151	115.6 Å²	115.6	66%	0.657	55%	0.547	S	S	*	.	H	α-helix	trans	-60.1	-47.4	175.2	-175.4	-177.4	178	-178.4	0	111.1	A25 R26 K31 R32 M33	A25-K29 PolarHBondContact O-N 2.85Å; R26-K29 PolarHBondContact O-N 3.28Å; K29-K31 PolarHBondContact O-N 3.48Å; K29-R32 PolarHBondContact O-N 2.96Å; K29-M33 WeakPolarHBondContact O-CG 3.36Å; K29-M33 PolarHBondContact O-N 3.24Å
30	E	97.4	Very high	97.3	Very high	107 Å²	107	114 Å²	114	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-61.3	-44.2	178.1	-168.5	-170.5	159.6	0	0	111.9	R26 K27 R32 M33 K34	R26-E30 PolarHBondContact O-N 2.96Å; K27-E30 PolarHBondContact O-N 3.02Å; E30-R32 PolarHBondContact O-N 3.22Å; E30-M33 PolarHBondContact O-N 3.38Å; E30-K34 PolarHBondContact O-N 2.96Å; E30-K34 WeakPolarHBondContact OE1-CE 3.45Å; E30-K34 IonicContact OE1-NZ 2.64Å; E30-K34 PolarHBondContact OE1-NZ 2.95Å
31	K	97.7	Very high	97.3	Very high	157 Å²	157	113.4 Å²	113.4	68%	0.683	54%	0.535	S	S	*	.	H	α-helix	trans	-59.4	-44.4	175.7	-175.7	176.3	175.9	177	0	111.8	K27 R28 K29 K34 Q35	K27-K31 WeakPolarHBondContact O-CB 3.39Å; K27-K31 PolarHBondContact O-N 3.43Å; R28-K31 PolarHBondContact O-N 3.4Å; K29-K31 PolarHBondContact O-N 3.48Å; K31-K34 PolarHBondContact O-N 3.45Å; K31-Q35 WeakPolarHBondContact O-CB 3.47Å; K31-Q35 PolarHBondContact O-N 3.49Å
32	R	97.4	Very high	97.4	Very high	194 Å²	194	110.4 Å²	110.4	73%	0.732	52%	0.524	S	S	*	.	H	α-helix	trans	-63.3	-40.6	176.7	-75.4	-72.1	-173.9	178.5	0.9	112.3	R28 K29 E30 Q35 A36	R28-R32 WeakPolarHBondContact O-CG 3.49Å; R28-R32 PolarHBondContact O-N 2.96Å; K29-R32 PolarHBondContact O-N 2.96Å; E30-R32 PolarHBondContact O-N 3.22Å; R32-Q35 PolarHBondContact O-N 3.26Å; R32-A36 WeakPolarHBondContact O-CB 3.15Å; R32-A36 PolarHBondContact O-N 2.92Å
33	M	96.9	Very high	97.3	Very high	112 Å²	112	113.5 Å²	113.5	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-64.3	-40.8	175.3	-70.6	-61.9	-60.6	0	0	112.5	K29 E30 K37	K29-M33 WeakPolarHBondContact O-CG 3.36Å; K29-M33 PolarHBondContact O-N 3.24Å; E30-M33 PolarHBondContact O-N 3.38Å; M33-K37 WeakPolarHBondContact O-CG 3.47Å; M33-K37 PolarHBondContact O-N 3.34Å
34	K	97.5	Very high	97.3	Very high	118 Å²	118	115.9 Å²	115.9	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-65	-44.2	174.8	-72.2	178.8	-175.6	170.2	0	111.3	E30 K31 A36 K37 I38	E30-K34 PolarHBondContact O-N 2.96Å; E30-K34 WeakPolarHBondContact OE1-CE 3.45Å; E30-K34 IonicContact OE1-NZ 2.64Å; E30-K34 PolarHBondContact OE1-NZ 2.95Å; K31-K34 PolarHBondContact O-N 3.45Å; K34-A36 PolarHBondContact O-N 2.69Å; K34-K37 PolarHBondContact O-N 2.79Å; K34-I38 WeakPolarHBondContact O-CG1 3.34Å; K34-I38 PolarHBondContact O-N 3.29Å
35	Q	97.5	Very high	97.3	Very high	77 Å²	77	115.2 Å²	115.2	36%	0.36	54%	0.535	S	S	.	.	H	α-helix	trans	-59.3	-47.6	177.8	-174	61.9	35.9	0	0	111.5	K31 R32 K37 I38 E39	K31-Q35 WeakPolarHBondContact O-CB 3.47Å; K31-Q35 PolarHBondContact O-N 3.49Å; R32-Q35 PolarHBondContact O-N 3.26Å; Q35-K37 VanDerWaalsContact C-N 3.3Å; Q35-K37 PolarHBondContact O-N 3.02Å; Q35-I38 PolarHBondContact O-N 3.44Å; Q35-I38 VanDerWaalsContact O-N 3.11Å; Q35-E39 HydrophobicContact CG-CG 4.46Å; Q35-E39 VanDerWaalsContact CG-OE1 3.24Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.29Å; Q35-E39 PolarHBondContact NE2-OE1 3.23Å; Q35-E39 WeakPolarHBondContact O-CG 3.38Å; Q35-E39 PolarHBondContact O-N 2.9Å
36	A	97.4	Very high	97.3	Very high	53 Å²	53	118.9 Å²	118.9	44%	0.438	54%	0.541	S	S	.	.	H	α-helix	trans	-59.4	-37.8	177.3	0	0	0	0	0	112.9	R32 K34 A40	R32-A36 WeakPolarHBondContact O-CB 3.15Å; R32-A36 PolarHBondContact O-N 2.92Å; K34-A36 PolarHBondContact O-N 2.69Å; A36-A40 WeakPolarHBondContact O-CB 3.24Å; A36-A40 PolarHBondContact O-N 3.05Å
37	K	97.4	Very high	97.3	Very high	155 Å²	155	116 Å²	116	67%	0.674	53%	0.531	S	S	*	.	H	α-helix	trans	-65.6	-41.5	174.7	-73.2	-176.3	178.3	-170.5	0	112.4	M33 K34 Q35 Q41	M33-K37 WeakPolarHBondContact O-CG 3.47Å; M33-K37 PolarHBondContact O-N 3.34Å; K34-K37 PolarHBondContact O-N 2.79Å; Q35-K37 VanDerWaalsContact C-N 3.3Å; Q35-K37 PolarHBondContact O-N 3.02Å; K37-Q41 WeakPolarHBondContact O-CB 3.44Å; K37-Q41 PolarHBondContact O-N 3.38Å
38	I	97.3	Very high	97.3	Very high	84 Å²	84	116.4 Å²	116.4	43%	0.431	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-45.8	178.6	-66.8	165.8	0	0	0	110.1	K34 Q35 Q41 Q42	K34-I38 WeakPolarHBondContact O-CG1 3.34Å; K34-I38 PolarHBondContact O-N 3.29Å; Q35-I38 PolarHBondContact O-N 3.44Å; Q35-I38 VanDerWaalsContact O-N 3.11Å; I38-Q41 PolarHBondContact O-N 2.96Å; I38-Q42 HydrophobicContact CG2-CG 4.41Å; I38-Q42 VanDerWaalsContact O-CG 3.3Å; I38-Q42 WeakPolarHBondContact O-CG 3.42Å; I38-Q42 PolarHBondContact O-N 3.04Å
39	E	96.9	Very high	97.3	Very high	100 Å²	100	115.1 Å²	115.1	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-45.3	178.6	-73.2	170.1	-174.4	0	0	111.8	Q35 Q41 Q42 E43	Q35-E39 HydrophobicContact CG-CG 4.46Å; Q35-E39 VanDerWaalsContact CG-OE1 3.24Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.29Å; Q35-E39 PolarHBondContact NE2-OE1 3.23Å; Q35-E39 WeakPolarHBondContact O-CG 3.38Å; Q35-E39 PolarHBondContact O-N 2.9Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.11Å; E39-Q42 PolarHBondContact O-N 3.06Å; E39-E43 PolarHBondContact O-N 3.32Å
40	A	97.2	Very high	97.2	Very high	47 Å²	47	113.2 Å²	113.2	39%	0.388	52%	0.523	S	S	.	.	H	α-helix	trans	-61.4	-41.4	175.6	0	0	0	0	0	112.3	A36 E43 I44	A36-A40 WeakPolarHBondContact O-CB 3.24Å; A36-A40 PolarHBondContact O-N 3.05Å; A40-E43 PolarHBondContact O-N 3.49Å; A40-I44 VanDerWaalsContact O-CG1 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 3.39Å; A40-I44 PolarHBondContact O-N 3.45Å
41	Q	97.2	Very high	97.2	Very high	90 Å²	90	113.8 Å²	113.8	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-65.1	-42	177.4	-175.6	59.7	32.8	0	0	111.7	K37 I38 E39 E43 I44 E45	K37-Q41 WeakPolarHBondContact O-CB 3.44Å; K37-Q41 PolarHBondContact O-N 3.38Å; I38-Q41 PolarHBondContact O-N 2.96Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.11Å; Q41-E43 VanDerWaalsContact C-N 3.33Å; Q41-E43 PolarHBondContact O-N 3.37Å; Q41-I44 PolarHBondContact O-N 2.92Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.3Å; Q41-E45 PolarHBondContact NE2-OE1 2.96Å; Q41-E45 WeakPolarHBondContact O-CG 3.41Å; Q41-E45 PolarHBondContact O-N 3.39Å
42	Q	97.4	Very high	97.1	Very high	98 Å²	98	110.8 Å²	110.8	46%	0.458	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-39.3	175.6	-74	174.9	-8	0	0	112.2	I38 E39 E45 K46	I38-Q42 HydrophobicContact CG2-CG 4.41Å; I38-Q42 VanDerWaalsContact O-CG 3.3Å; I38-Q42 WeakPolarHBondContact O-CG 3.42Å; I38-Q42 PolarHBondContact O-N 3.04Å; E39-Q42 PolarHBondContact O-N 3.06Å; Q42-E45 PolarHBondContact O-N 3.32Å; Q42-K46 WeakPolarHBondContact O-CG 3.31Å; Q42-K46 PolarHBondContact O-N 3.47Å
43	E	96.6	Very high	97.1	Very high	143 Å²	143	103.9 Å²	103.9	67%	0.668	49%	0.493	S	S	*	.	H	α-helix	trans	-66.4	-41.7	176.6	-170.7	173.7	-174.3	0	0	111.7	E39 A40 Q41 E45 K46 Y47	E39-E43 PolarHBondContact O-N 3.32Å; A40-E43 PolarHBondContact O-N 3.49Å; Q41-E43 VanDerWaalsContact C-N 3.33Å; Q41-E43 PolarHBondContact O-N 3.37Å; E43-E45 PolarHBondContact O-N 3.47Å; E43-K46 PolarHBondContact O-N 3Å; E43-Y47 WeakPolarHBondContact O-CB 3.39Å; E43-Y47 PolarHBondContact O-N 3Å
44	I	97.1	Very high	97	Very high	80 Å²	80	102.9 Å²	102.9	41%	0.41	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-43.8	174.7	-69	165.8	0	0	0	111.2	A40 Q41 Y47 R48	A40-I44 VanDerWaalsContact O-CG1 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 3.39Å; A40-I44 PolarHBondContact O-N 3.45Å; Q41-I44 PolarHBondContact O-N 2.92Å; I44-Y47 PolarHBondContact O-N 2.95Å; I44-R48 WeakPolarHBondContact O-CG 3.34Å; I44-R48 PolarHBondContact O-N 2.96Å
45	E	97.2	Very high	96.9	Very high	91 Å²	91	102.8 Å²	102.8	43%	0.425	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-47.1	179	-77.2	168.1	-168.6	0	0	111.7	Q41 Q42 E43 Y47 R48 E49	Q41-E45 WeakPolarHBondContact CG-OE1 3.3Å; Q41-E45 PolarHBondContact NE2-OE1 2.96Å; Q41-E45 WeakPolarHBondContact O-CG 3.41Å; Q41-E45 PolarHBondContact O-N 3.39Å; Q42-E45 PolarHBondContact O-N 3.32Å; E43-E45 PolarHBondContact O-N 3.47Å; E45-Y47 VanDerWaalsContact C-N 3.32Å; E45-Y47 PolarHBondContact O-N 2.86Å; E45-R48 WeakPolarHBondContact O-CB 3.48Å; E45-R48 PolarHBondContact O-N 3.26Å; E45-R48 VanDerWaalsContact O-N 3.14Å; E45-E49 WeakPolarHBondContact O-CG 3.34Å; E45-E49 PolarHBondContact O-N 3.01Å
46	K	97.6	Very high	96.7	Very high	131 Å²	131	105.8 Å²	105.8	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-56.9	-45.7	173.7	-74.6	176.8	-179.2	-179.1	0	112	Q42 E43 R48 E49 E50	Q42-K46 WeakPolarHBondContact O-CG 3.31Å; Q42-K46 PolarHBondContact O-N 3.47Å; E43-K46 PolarHBondContact O-N 3Å; K46-R48 VanDerWaalsContact C-N 3.31Å; K46-R48 PolarHBondContact O-N 3.06Å; K46-E49 PolarHBondContact O-N 2.97Å; K46-E50 WeakPolarHBondContact O-CG 3.45Å; K46-E50 PolarHBondContact O-N 2.92Å
47	Y	97.3	Very high	96.4	Very high	125 Å²	125	108.1 Å²	108.1	49%	0.49	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-38.7	178.4	-174	-100.8	0	0	0	112.2	E43 I44 E45 R51	E43-Y47 WeakPolarHBondContact O-CB 3.39Å; E43-Y47 PolarHBondContact O-N 3Å; I44-Y47 PolarHBondContact O-N 2.95Å; E45-Y47 VanDerWaalsContact C-N 3.32Å; E45-Y47 PolarHBondContact O-N 2.86Å; Y47-R51 HydrophobicContact CD1-CG 4.16Å; Y47-R51 HydrophobicContact CE1-CG 3.79Å; Y47-R51 HydrophobicContact CE2-CG 4.35Å; Y47-R51 VanDerWaalsContact CZ-NE 3.28Å; Y47-R51 WeakPolarHBondContact O-CB 3.25Å; Y47-R51 VanDerWaalsContact O-CG 3.25Å; Y47-R51 WeakPolarHBondContact O-CG 3.46Å; Y47-R51 PolarHBondContact O-N 3.4Å; Y47-R51 PolarHBondContact OH-NE 3.49Å; Y47-R51 PolarHBondContact OH-NH2 2.64Å
48	R	97.2	Very high	96.1	Very high	168 Å²	168	106.1 Å²	106.1	63%	0.634	49%	0.489	S	S	*	.	H	α-helix	trans	-63.4	-45.6	174.2	-75.6	175.5	178	-170.3	-0.2	111.7	I44 E45 K46 R51 E52	I44-R48 WeakPolarHBondContact O-CG 3.34Å; I44-R48 PolarHBondContact O-N 2.96Å; E45-R48 WeakPolarHBondContact O-CB 3.48Å; E45-R48 PolarHBondContact O-N 3.26Å; E45-R48 VanDerWaalsContact O-N 3.14Å; K46-R48 VanDerWaalsContact C-N 3.31Å; K46-R48 PolarHBondContact O-N 3.06Å; R48-R51 PolarHBondContact O-N 3.14Å; R48-E52 VanDerWaalsContact O-CB 3.32Å; R48-E52 WeakPolarHBondContact O-CB 3.45Å; R48-E52 PolarHBondContact O-N 3.31Å
49	E	97.2	Very high	95.7	Very high	136 Å²	136	107 Å²	107	64%	0.636	49%	0.491	S	S	*	.	H	α-helix	trans	-61.4	-44.1	177.7	-71.7	176.5	179.3	0	0	112.1	E45 K46 R51 E52 A53	E45-E49 WeakPolarHBondContact O-CG 3.34Å; E45-E49 PolarHBondContact O-N 3.01Å; K46-E49 PolarHBondContact O-N 2.97Å; E49-R51 PolarHBondContact O-N 2.86Å; E49-E52 PolarHBondContact O-N 3.41Å; E49-A53 WeakPolarHBondContact O-CB 3.48Å; E49-A53 PolarHBondContact O-N 3.4Å
50	E	96.9	Very high	95.3	Very high	112 Å²	112	104.6 Å²	104.6	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-43.9	175.5	-74.6	177.1	-176.2	0	0	111.9	K46 A53 Q54	K46-E50 WeakPolarHBondContact O-CG 3.45Å; K46-E50 PolarHBondContact O-N 2.92Å; E50-A53 PolarHBondContact O-N 3.24Å; E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.35Å; E50-Q54 PolarHBondContact O-N 2.93Å
51	R	96.5	Very high	94.8	Very high	119 Å²	119	108.2 Å²	108.2	45%	0.449	49%	0.493	S	S	.	.	H	α-helix	trans	-69.3	-38.4	178.4	-68.8	-62.2	173.7	-174.8	4	112.8	Y47 R48 E49 A53 Q54 F55	Y47-R51 HydrophobicContact CD1-CG 4.16Å; Y47-R51 HydrophobicContact CE1-CG 3.79Å; Y47-R51 HydrophobicContact CE2-CG 4.35Å; Y47-R51 VanDerWaalsContact CZ-NE 3.28Å; Y47-R51 WeakPolarHBondContact O-CB 3.25Å; Y47-R51 VanDerWaalsContact O-CG 3.25Å; Y47-R51 WeakPolarHBondContact O-CG 3.46Å; Y47-R51 PolarHBondContact O-N 3.4Å; Y47-R51 PolarHBondContact OH-NE 3.49Å; Y47-R51 PolarHBondContact OH-NH2 2.64Å; R48-R51 PolarHBondContact O-N 3.14Å; E49-R51 PolarHBondContact O-N 2.86Å; R51-A53 VanDerWaalsContact C-N 3.34Å; R51-Q54 PolarHBondContact O-N 3.4Å; R51-F55 VanDerWaalsContact O-CB 3.31Å; R51-F55 WeakPolarHBondContact O-CB 3.49Å; R51-F55 PolarHBondContact O-N 3.35Å
52	E	96.4	Very high	94	Very high	94 Å²	94	108.9 Å²	108.9	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-66.7	-36.9	174.5	-172	59.5	-148.4	0	0	111.6	R48 E49 F55 R56	R48-E52 VanDerWaalsContact O-CB 3.32Å; R48-E52 WeakPolarHBondContact O-CB 3.45Å; R48-E52 PolarHBondContact O-N 3.31Å; E49-E52 PolarHBondContact O-N 3.41Å; E52-F55 PolarHBondContact O-N 3.39Å; E52-R56 WeakPolarHBondContact O-CB 3.32Å; E52-R56 WeakPolarHBondContact O-CG 3.23Å; E52-R56 PolarHBondContact O-N 3.38Å; E52-R56 PolarHBondContact O-NE 3.17Å
53	A	96.5	Very high	93.2	Very high	48 Å²	48	110 Å²	110	40%	0.397	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-46.6	172.9	0	0	0	0	0	111.7	E49 E50 R51 F55 R56 E57	E49-A53 WeakPolarHBondContact O-CB 3.48Å; E49-A53 PolarHBondContact O-N 3.4Å; E50-A53 PolarHBondContact O-N 3.24Å; R51-A53 VanDerWaalsContact C-N 3.34Å; A53-F55 VanDerWaalsContact C-N 3.33Å; A53-F55 PolarHBondContact O-N 3.47Å; A53-R56 PolarHBondContact O-N 2.94Å; A53-E57 WeakPolarHBondContact O-CB 3.34Å; A53-E57 PolarHBondContact O-N 2.87Å
54	Q	95.3	Very high	92.1	Very high	91 Å²	91	110 Å²	110	43%	0.425	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175.2	-72.7	171.1	19.5	0	0	112.1	E50 R51 E57 H58	E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.35Å; E50-Q54 PolarHBondContact O-N 2.93Å; R51-Q54 PolarHBondContact O-N 3.4Å; Q54-E57 PolarHBondContact O-N 3.35Å; Q54-H58 WeakPolarHBondContact O-CB 3.35Å; Q54-H58 PolarHBondContact O-N 3.07Å
55	F	94.2	Very high	91	Very high	117 Å²	117	108.8 Å²	108.8	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-49	177.4	179.4	-100.7	0	0	0	111.3	R51 E52 A53 E57 H58 E59	R51-F55 VanDerWaalsContact O-CB 3.31Å; R51-F55 WeakPolarHBondContact O-CB 3.49Å; R51-F55 PolarHBondContact O-N 3.35Å; E52-F55 PolarHBondContact O-N 3.39Å; A53-F55 VanDerWaalsContact C-N 3.33Å; A53-F55 PolarHBondContact O-N 3.47Å; F55-E57 VanDerWaalsContact C-N 3.35Å; F55-E57 PolarHBondContact O-N 3.44Å; F55-H58 WeakPolarHBondContact O-CB 3.45Å; F55-H58 PolarHBondContact O-N 2.97Å; F55-E59 WeakPolarHBondContact O-CB 3.43Å; F55-E59 PolarHBondContact O-N 3.35Å
56	R	93.7	Very high	90	Very high	140 Å²	140	108.2 Å²	108.2	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-38	176.8	-73.6	-177.2	-67.5	-168.6	-2	112.9	E52 A53 S60	E52-R56 WeakPolarHBondContact O-CB 3.32Å; E52-R56 WeakPolarHBondContact O-CG 3.23Å; E52-R56 PolarHBondContact O-N 3.38Å; E52-R56 PolarHBondContact O-NE 3.17Å; A53-R56 PolarHBondContact O-N 2.94Å; R56-S60 WeakPolarHBondContact O-CB 3.37Å; R56-S60 PolarHBondContact O-N 3.11Å; R56-S60 PolarHBondContact O-OG 3.3Å
57	E	92.4	Very high	89.2	Confident	102 Å²	102	107.1 Å²	107.1	48%	0.477	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-47.3	174.7	-171.8	-175.3	172	0	0	110.7	A53 Q54 F55 S60 K61	A53-E57 WeakPolarHBondContact O-CB 3.34Å; A53-E57 PolarHBondContact O-N 2.87Å; Q54-E57 PolarHBondContact O-N 3.35Å; F55-E57 VanDerWaalsContact C-N 3.35Å; F55-E57 PolarHBondContact O-N 3.44Å; E57-S60 PolarHBondContact O-N 2.95Å; E57-S60 PolarHBondContact O-OG 3.48Å; E57-K61 HydrophobicContact CG-CD 4.46Å; E57-K61 WeakPolarHBondContact O-CG 3.28Å; E57-K61 PolarHBondContact O-N 3.34Å; E57-K61 VanDerWaalsContact OE1-CE 3.23Å; E57-K61 WeakPolarHBondContact OE1-CE 3.31Å; E57-K61 IonicContact OE1-NZ 3.07Å; E57-K61 PolarHBondContact OE1-NZ 2.84Å
58	H	90.5	Very high	88.6	Confident	113 Å²	113	106.3 Å²	106.3	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-60.4	-50.2	176.5	-175.5	-89.9	0	0	0	111.2	Q54 F55 S60 K61 H62	Q54-H58 WeakPolarHBondContact O-CB 3.35Å; Q54-H58 PolarHBondContact O-N 3.07Å; F55-H58 WeakPolarHBondContact O-CB 3.45Å; F55-H58 PolarHBondContact O-N 2.97Å; H58-S60 VanDerWaalsContact C-N 3.31Å; H58-S60 PolarHBondContact O-N 3.16Å; H58-K61 PolarHBondContact O-N 2.9Å; H58-K61 VanDerWaalsContact O-N 3.16Å; H58-H62 AromaticContact CD2-CD2 3.58Å; H58-H62 AromaticContact CD2-NE2 3.44Å; H58-H62 PolarHBondContact CD2-NE2 3.37Å; H58-H62 AromaticContact CE1-CD2 3.17Å; H58-H62 PolarHBondContact CE1-CD2 2.78Å; H58-H62 AromaticContact CE1-NE2 3.39Å; H58-H62 PolarHBondContact CE1-NE2 3.34Å; H58-H62 AromaticContact CG-CD2 3.6Å; H58-H62 AromaticContact CG-NE2 3.97Å; H58-H62 AromaticContact ND1-CD2 3.35Å; H58-H62 PolarHBondContact ND1-CD2 3.05Å; H58-H62 AromaticContact ND1-NE2 3.94Å; H58-H62 AromaticContact NE2-CD2 3.35Å; H58-H62 PolarHBondContact NE2-CD2 3.44Å; H58-H62 AromaticContact NE2-NE2 3.07Å; H58-H62 PolarHBondContact NE2-NE2 3.43Å; H58-H62 PolarHBondContact O-CD2 3.41Å; H58-H62 PolarHBondContact O-N 3.24Å
59	E	89.2	Confident	88.2	Confident	101 Å²	101	101.1 Å²	101.1	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-53.5	-48	175.5	-174.5	-178.3	-149.1	0	0	111.3	F55 K61 H62 L63	F55-E59 WeakPolarHBondContact O-CB 3.43Å; F55-E59 PolarHBondContact O-N 3.35Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 2.81Å; E59-H62 PolarHBondContact O-N 3.32Å; E59-L63 VanDerWaalsContact O-CB 3.24Å; E59-L63 WeakPolarHBondContact O-CB 3.33Å; E59-L63 PolarHBondContact O-N 3.07Å
60	S	87.7	Confident	87.8	Confident	51 Å²	51	97.4 Å²	97.4	36%	0.357	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-35.2	-179.8	77.5	0	0	0	0	113.7	R56 E57 H58 K64	R56-S60 WeakPolarHBondContact O-CB 3.37Å; R56-S60 PolarHBondContact O-N 3.11Å; R56-S60 PolarHBondContact O-OG 3.3Å; E57-S60 PolarHBondContact O-N 2.95Å; E57-S60 PolarHBondContact O-OG 3.48Å; H58-S60 VanDerWaalsContact C-N 3.31Å; H58-S60 PolarHBondContact O-N 3.16Å; S60-K64 WeakPolarHBondContact O-CB 3.15Å; S60-K64 VanDerWaalsContact O-CG 3.28Å; S60-K64 WeakPolarHBondContact O-CG 3.48Å; S60-K64 PolarHBondContact O-N 2.99Å
61	K	85.9	Confident	87.5	Confident	122 Å²	122	95.4 Å²	95.4	53%	0.53	48%	0.479	S	S	.	.	H	α-helix	trans	-70.8	-42	177.1	-74.5	176.7	-175.6	170.1	0	111.2	E57 H58 E59 S65	E57-K61 HydrophobicContact CG-CD 4.46Å; E57-K61 WeakPolarHBondContact O-CG 3.28Å; E57-K61 PolarHBondContact O-N 3.34Å; E57-K61 VanDerWaalsContact OE1-CE 3.23Å; E57-K61 WeakPolarHBondContact OE1-CE 3.31Å; E57-K61 IonicContact OE1-NZ 3.07Å; E57-K61 PolarHBondContact OE1-NZ 2.84Å; H58-K61 PolarHBondContact O-N 2.9Å; H58-K61 VanDerWaalsContact O-N 3.16Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 2.81Å; K61-S65 WeakPolarHBondContact O-CB 3.38Å; K61-S65 PolarHBondContact O-N 3.46Å
62	H	82.1	Confident	87.3	Confident	105 Å²	105	96.1 Å²	96.1	49%	0.486	48%	0.482	S	S	.	.	H	α-helix	trans	-77.4	-36.5	-177.5	-73.6	-68.8	0	0	0	112.9	H58 E59 S65 T66	H58-H62 AromaticContact CD2-CD2 3.58Å; H58-H62 AromaticContact CD2-NE2 3.44Å; H58-H62 PolarHBondContact CD2-NE2 3.37Å; H58-H62 AromaticContact CE1-CD2 3.17Å; H58-H62 PolarHBondContact CE1-CD2 2.78Å; H58-H62 AromaticContact CE1-NE2 3.39Å; H58-H62 PolarHBondContact CE1-NE2 3.34Å; H58-H62 AromaticContact CG-CD2 3.6Å; H58-H62 AromaticContact CG-NE2 3.97Å; H58-H62 AromaticContact ND1-CD2 3.35Å; H58-H62 PolarHBondContact ND1-CD2 3.05Å; H58-H62 AromaticContact ND1-NE2 3.94Å; H58-H62 AromaticContact NE2-CD2 3.35Å; H58-H62 PolarHBondContact NE2-CD2 3.44Å; H58-H62 AromaticContact NE2-NE2 3.07Å; H58-H62 PolarHBondContact NE2-NE2 3.43Å; H58-H62 PolarHBondContact O-CD2 3.41Å; H58-H62 PolarHBondContact O-N 3.24Å; E59-H62 PolarHBondContact O-N 3.32Å; H62-S65 PolarHBondContact O-N 3.07Å; H62-T66 PolarHBondContact O-N 3.18Å
63	L	79.2	Confident	87.3	Confident	120 Å²	120	96.5 Å²	96.5	63%	0.628	49%	0.486	S	S	*	.	H	α-helix	trans	-65.8	-38.7	175.8	-164.3	74.7	0	0	0	111.8	E59 S65 T66	E59-L63 VanDerWaalsContact O-CB 3.24Å; E59-L63 WeakPolarHBondContact O-CB 3.33Å; E59-L63 PolarHBondContact O-N 3.07Å; L63-S65 VanDerWaalsContact C-N 3.34Å; L63-T66 PolarHBondContact O-OG1 3.3Å
64	K	73.5	Confident	87.2	Confident	144 Å²	144	100.8 Å²	100.8	63%	0.626	50%	0.498	S	S	*	.	H	α-helix	trans	-68.8	-34	173.9	-72.2	177.6	-178	-179.6	0	112.6	S60 T66 D67 D68	S60-K64 WeakPolarHBondContact O-CB 3.15Å; S60-K64 VanDerWaalsContact O-CG 3.28Å; S60-K64 WeakPolarHBondContact O-CG 3.48Å; S60-K64 PolarHBondContact O-N 2.99Å; K64-T66 VanDerWaalsContact C-N 3.27Å; K64-T66 PolarHBondContact O-N 2.85Å; K64-D67 PolarHBondContact O-N 3.17Å; K64-D68 PolarHBondContact O-N 3.03Å
65	S	74.6	Confident	87.3	Confident	55 Å²	55	102 Å²	102	39%	0.385	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-27.9	-177.8	-175	0	0	0	0	113.3	K61 H62 L63 V69	K61-S65 WeakPolarHBondContact O-CB 3.38Å; K61-S65 PolarHBondContact O-N 3.46Å; H62-S65 PolarHBondContact O-N 3.07Å; L63-S65 VanDerWaalsContact C-N 3.34Å; S65-V69 WeakPolarHBondContact O-CB 3.45Å; S65-V69 WeakPolarHBondContact O-CG2 3.37Å; S65-V69 PolarHBondContact O-N 3.26Å
66	T	76.6	Confident	87.4	Confident	79 Å²	79	100.3 Å²	100.3	49%	0.485	50%	0.497	S	S	.	.	H	α-helix	trans	-70.6	-37.1	179.1	51.3	0	0	0	0	112	H62 L63 K64 S70	H62-T66 PolarHBondContact O-N 3.18Å; L63-T66 PolarHBondContact O-OG1 3.3Å; K64-T66 VanDerWaalsContact C-N 3.27Å; K64-T66 PolarHBondContact O-N 2.85Å; T66-S70 WeakPolarHBondContact O-CB 3.41Å; T66-S70 PolarHBondContact O-N 3.01Å; T66-S70 PolarHBondContact O-OG 2.89Å
67	D	80.2	Confident	87.6	Confident	107 Å²	107	96.2 Å²	96.2	57%	0.572	49%	0.493	S	S	*	.	H	α-helix	trans	-70.1	-45.9	177.7	-69.3	-8.9	0	0	0	110.2	K64 V69 S70 V71	K64-D67 PolarHBondContact O-N 3.17Å; D67-V69 VanDerWaalsContact C-N 3.31Å; D67-V69 PolarHBondContact O-N 3.34Å; D67-S70 PolarHBondContact O-N 3.21Å; D67-S70 VanDerWaalsContact O-N 3.14Å; D67-V71 WeakPolarHBondContact O-CG2 3.24Å; D67-V71 PolarHBondContact O-N 2.92Å
68	D	85.3	Confident	87.8	Confident	108 Å²	108	93.7 Å²	93.7	58%	0.578	49%	0.49	S	S	*	.	H	α-helix	trans	-60.2	-40.4	177.4	-73.9	-18.9	0	0	0	112.3	K64 R72	K64-D68 PolarHBondContact O-N 3.03Å; D68-R72 WeakPolarHBondContact O-CB 3.26Å; D68-R72 WeakPolarHBondContact O-CG 3.35Å; D68-R72 PolarHBondContact O-N 3.14Å
69	V	87.4	Confident	88.2	Confident	59 Å²	59	95 Å²	95	36%	0.358	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-42.3	176.1	169.6	0	0	0	0	111	S65 D67 R72 I73	S65-V69 WeakPolarHBondContact O-CB 3.45Å; S65-V69 WeakPolarHBondContact O-CG2 3.37Å; S65-V69 PolarHBondContact O-N 3.26Å; D67-V69 VanDerWaalsContact C-N 3.31Å; D67-V69 PolarHBondContact O-N 3.34Å; V69-R72 PolarHBondContact O-N 3.35Å; V69-I73 HydrophobicContact CG1-CD1 3.75Å; V69-I73 HydrophobicContact CG1-CG1 4.4Å; V69-I73 VanDerWaalsContact O-CG1 3.26Å; V69-I73 WeakPolarHBondContact O-CG1 3.34Å; V69-I73 PolarHBondContact O-N 3Å
70	S	89.3	Confident	88.6	Confident	59 Å²	59	96.5 Å²	96.5	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-46	179	-57.9	0	0	0	0	111.3	T66 D67 R72 I73 E74	T66-S70 WeakPolarHBondContact O-CB 3.41Å; T66-S70 PolarHBondContact O-N 3.01Å; T66-S70 PolarHBondContact O-OG 2.89Å; D67-S70 PolarHBondContact O-N 3.21Å; D67-S70 VanDerWaalsContact O-N 3.14Å; S70-R72 VanDerWaalsContact C-N 3.33Å; S70-R72 PolarHBondContact O-N 2.92Å; S70-I73 PolarHBondContact O-N 2.92Å; S70-I73 VanDerWaalsContact O-N 3.17Å; S70-E74 WeakPolarHBondContact O-CG 3.44Å; S70-E74 PolarHBondContact O-N 3.45Å
71	V	91.5	Very high	89	Confident	70 Å²	70	98.8 Å²	98.8	42%	0.424	51%	0.509	S	S	.	.	H	α-helix	trans	-59.5	-43.4	175.4	172.1	0	0	0	0	111.2	D67 E74 Q75	D67-V71 WeakPolarHBondContact O-CG2 3.24Å; D67-V71 PolarHBondContact O-N 2.92Å; V71-E74 PolarHBondContact O-N 3.31Å; V71-Q75 VanDerWaalsContact O-CG 3.3Å; V71-Q75 WeakPolarHBondContact O-CG 3.3Å; V71-Q75 PolarHBondContact O-N 3.23Å
72	R	92.5	Very high	89.6	Confident	134 Å²	134	100 Å²	100	51%	0.506	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-43.4	175.3	-81.3	-176.6	54.7	-122	-19.2	112.5	D68 V69 S70 E74 Q75 E76	D68-R72 WeakPolarHBondContact O-CB 3.26Å; D68-R72 WeakPolarHBondContact O-CG 3.35Å; D68-R72 PolarHBondContact O-N 3.14Å; V69-R72 PolarHBondContact O-N 3.35Å; S70-R72 VanDerWaalsContact C-N 3.33Å; S70-R72 PolarHBondContact O-N 2.92Å; R72-E74 VanDerWaalsContact C-N 3.34Å; R72-Q75 PolarHBondContact O-N 3.39Å; R72-E76 IonicContact NH2-OE1 2.92Å; R72-E76 PolarHBondContact NH2-OE1 2.78Å; R72-E76 WeakPolarHBondContact O-CB 3.41Å; R72-E76 WeakPolarHBondContact O-CG 3.18Å; R72-E76 PolarHBondContact O-N 3.36Å
73	I	95	Very high	90.3	Very high	102 Å²	102	103.5 Å²	103.5	52%	0.523	52%	0.523	S	S	.	.	H	α-helix	trans	-62.3	-43.7	177.5	-71.1	166.7	0	0	0	110.4	V69 S70 E76 A77	V69-I73 HydrophobicContact CG1-CD1 3.75Å; V69-I73 HydrophobicContact CG1-CG1 4.4Å; V69-I73 VanDerWaalsContact O-CG1 3.26Å; V69-I73 WeakPolarHBondContact O-CG1 3.34Å; V69-I73 PolarHBondContact O-N 3Å; S70-I73 PolarHBondContact O-N 2.92Å; S70-I73 VanDerWaalsContact O-N 3.17Å; I73-E76 PolarHBondContact O-N 2.84Å; I73-A77 WeakPolarHBondContact O-CB 3.43Å; I73-A77 PolarHBondContact O-N 3.34Å
74	E	95.9	Very high	91.2	Very high	137 Å²	137	102.3 Å²	102.3	64%	0.64	52%	0.521	S	S	*	.	H	α-helix	trans	-62.4	-43.5	177.4	-73.6	-179.9	-179.5	0	0	112.1	S70 V71 R72 A77 A78	S70-E74 WeakPolarHBondContact O-CG 3.44Å; S70-E74 PolarHBondContact O-N 3.45Å; V71-E74 PolarHBondContact O-N 3.31Å; R72-E74 VanDerWaalsContact C-N 3.34Å; E74-A77 PolarHBondContact O-N 2.97Å; E74-A78 VanDerWaalsContact O-CB 3.32Å; E74-A78 WeakPolarHBondContact O-CB 3.46Å; E74-A78 PolarHBondContact O-N 2.97Å
75	Q	96.4	Very high	92.3	Very high	118 Å²	118	101.1 Å²	101.1	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-62.2	-50.4	175.8	-72.9	174.5	-2.8	0	0	111.6	V71 R72 A77 A78 E79	V71-Q75 VanDerWaalsContact O-CG 3.3Å; V71-Q75 WeakPolarHBondContact O-CG 3.3Å; V71-Q75 PolarHBondContact O-N 3.23Å; R72-Q75 PolarHBondContact O-N 3.39Å; Q75-A77 VanDerWaalsContact C-N 3.31Å; Q75-A77 PolarHBondContact O-N 3.37Å; Q75-A78 PolarHBondContact O-N 2.96Å; Q75-E79 WeakPolarHBondContact O-CG 3.47Å; Q75-E79 PolarHBondContact O-N 3.41Å
76	E	97	Very high	93.4	Very high	81 Å²	81	105.4 Å²	105.4	38%	0.379	53%	0.526	S	S	.	.	H	α-helix	trans	-61.5	-39	177.6	-73.3	-179.1	-155.2	0	0	111.8	R72 I73 K80	R72-E76 IonicContact NH2-OE1 2.92Å; R72-E76 PolarHBondContact NH2-OE1 2.78Å; R72-E76 WeakPolarHBondContact O-CB 3.41Å; R72-E76 WeakPolarHBondContact O-CG 3.18Å; R72-E76 PolarHBondContact O-N 3.36Å; I73-E76 PolarHBondContact O-N 2.84Å; E76-K80 WeakPolarHBondContact O-CB 3.27Å; E76-K80 VanDerWaalsContact O-CG 3.27Å; E76-K80 WeakPolarHBondContact O-CG 3.45Å; E76-K80 PolarHBondContact O-N 2.91Å
77	A	97	Very high	94.4	Very high	54 Å²	54	105.2 Å²	105.2	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-44	176	0	0	0	0	0	111.5	I73 E74 Q75 E79 K80 L81	I73-A77 WeakPolarHBondContact O-CB 3.43Å; I73-A77 PolarHBondContact O-N 3.34Å; E74-A77 PolarHBondContact O-N 2.97Å; Q75-A77 VanDerWaalsContact C-N 3.31Å; Q75-A77 PolarHBondContact O-N 3.37Å; A77-E79 PolarHBondContact O-N 3.42Å; A77-K80 PolarHBondContact O-N 3.31Å; A77-L81 VanDerWaalsContact O-CB 3.29Å; A77-L81 WeakPolarHBondContact O-CB 3.35Å; A77-L81 PolarHBondContact O-N 2.98Å
78	A	97.4	Very high	95.2	Very high	49 Å²	49	103 Å²	103	41%	0.405	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.6	0	0	0	0	0	111.8	E74 Q75 L81 K82	E74-A78 VanDerWaalsContact O-CB 3.32Å; E74-A78 WeakPolarHBondContact O-CB 3.46Å; E74-A78 PolarHBondContact O-N 2.97Å; Q75-A78 PolarHBondContact O-N 2.96Å; A78-L81 PolarHBondContact O-N 2.91Å; A78-K82 WeakPolarHBondContact O-CG 3.33Å; A78-K82 PolarHBondContact O-N 3.36Å
79	E	97.7	Very high	95.7	Very high	139 Å²	139	101.4 Å²	101.4	65%	0.65	52%	0.515	S	S	*	.	H	α-helix	trans	-63.9	-46.6	174.8	-73.4	-177.1	176.7	0	0	112.3	Q75 A77 L81 K82 R83	Q75-E79 WeakPolarHBondContact O-CG 3.47Å; Q75-E79 PolarHBondContact O-N 3.41Å; A77-E79 PolarHBondContact O-N 3.42Å; E79-L81 VanDerWaalsContact C-N 3.29Å; E79-L81 PolarHBondContact O-N 3.45Å; E79-K82 PolarHBondContact O-N 3.49Å; E79-R83 WeakPolarHBondContact O-CB 3.43Å; E79-R83 PolarHBondContact O-N 2.88Å
80	K	97.6	Very high	96.2	Very high	133 Å²	133	103.1 Å²	103.1	58%	0.578	52%	0.522	S	S	*	.	H	α-helix	trans	-61.6	-37.9	176.6	-75.4	173.2	-174.9	167.1	0	112	E76 A77 R83 T84	E76-K80 WeakPolarHBondContact O-CB 3.27Å; E76-K80 VanDerWaalsContact O-CG 3.27Å; E76-K80 WeakPolarHBondContact O-CG 3.45Å; E76-K80 PolarHBondContact O-N 2.91Å; A77-K80 PolarHBondContact O-N 3.31Å; K80-R83 PolarHBondContact O-N 3.42Å; K80-T84 WeakPolarHBondContact O-CB 3.36Å; K80-T84 PolarHBondContact O-N 2.92Å; K80-T84 PolarHBondContact O-OG1 2.88Å
81	L	97.5	Very high	96.6	Very high	100 Å²	100	103.5 Å²	103.5	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-66.8	-46.4	176.9	-172.7	141.3	0	0	0	111.1	A77 A78 E79 R83 T84 Q85	A77-L81 VanDerWaalsContact O-CB 3.29Å; A77-L81 WeakPolarHBondContact O-CB 3.35Å; A77-L81 PolarHBondContact O-N 2.98Å; A78-L81 PolarHBondContact O-N 2.91Å; E79-L81 VanDerWaalsContact C-N 3.29Å; E79-L81 PolarHBondContact O-N 3.45Å; L81-R83 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 2.94Å; L81-T84 PolarHBondContact O-N 2.91Å; L81-Q85 HydrophobicContact CD2-CG 4.35Å; L81-Q85 VanDerWaalsContact CD2-NE2 3.33Å; L81-Q85 WeakPolarHBondContact O-CG 3.32Å; L81-Q85 PolarHBondContact O-N 3.4Å
82	K	97.8	Very high	96.8	Very high	146 Å²	146	106.8 Å²	106.8	64%	0.635	53%	0.528	S	S	*	.	H	α-helix	trans	-57.6	-45	173.3	-75.2	176.4	-178.7	177	0	111.8	A78 E79 Q85 Y86	A78-K82 WeakPolarHBondContact O-CG 3.33Å; A78-K82 PolarHBondContact O-N 3.36Å; E79-K82 PolarHBondContact O-N 3.49Å; K82-Q85 PolarHBondContact O-N 3.44Å; K82-Y86 WeakPolarHBondContact O-CB 3.48Å; K82-Y86 PolarHBondContact O-N 2.86Å
83	R	97.6	Very high	97	Very high	180 Å²	180	102.7 Å²	102.7	68%	0.679	53%	0.527	S	S	*	.	H	α-helix	trans	-62	-44.5	177.2	-177.1	175.8	178.7	169	-0.1	111.8	E79 K80 L81 Y86 I87	E79-R83 WeakPolarHBondContact O-CB 3.43Å; E79-R83 PolarHBondContact O-N 2.88Å; K80-R83 PolarHBondContact O-N 3.42Å; L81-R83 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 2.94Å; R83-Y86 PolarHBondContact O-N 2.82Å; R83-I87 HydrophobicContact CG-CD1 3.97Å; R83-I87 WeakPolarHBondContact O-CG1 3.35Å; R83-I87 PolarHBondContact O-N 3.24Å
84	T	97.2	Very high	97.1	Very high	94 Å²	94	104.8 Å²	104.8	58%	0.577	53%	0.532	S	S	*	.	H	α-helix	trans	-61.9	-45	177.4	-58.5	0	0	0	0	111.2	K80 L81 Y86 I87 A88	K80-T84 WeakPolarHBondContact O-CB 3.36Å; K80-T84 PolarHBondContact O-N 2.92Å; K80-T84 PolarHBondContact O-OG1 2.88Å; L81-T84 PolarHBondContact O-N 2.91Å; T84-Y86 VanDerWaalsContact C-N 3.35Å; T84-Y86 PolarHBondContact O-N 3.45Å; T84-I87 PolarHBondContact O-N 3.44Å; T84-A88 WeakPolarHBondContact O-CB 3.49Å; T84-A88 PolarHBondContact O-N 3Å
85	Q	97.5	Very high	97.1	Very high	119 Å²	119	101.6 Å²	101.6	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-61.7	-41.3	176.6	-74	177.2	-15.2	0	0	112.3	L81 K82 A88 S89	L81-Q85 HydrophobicContact CD2-CG 4.35Å; L81-Q85 VanDerWaalsContact CD2-NE2 3.33Å; L81-Q85 WeakPolarHBondContact O-CG 3.32Å; L81-Q85 PolarHBondContact O-N 3.4Å; K82-Q85 PolarHBondContact O-N 3.44Å; Q85-A88 PolarHBondContact O-N 3.46Å; Q85-S89 WeakPolarHBondContact O-CB 3.29Å; Q85-S89 PolarHBondContact O-N 3.37Å; Q85-S89 PolarHBondContact O-OG 3.18Å
86	Y	97.7	Very high	97.1	Very high	145 Å²	145	100 Å²	100	57%	0.569	52%	0.516	S	S	*	.	H	α-helix	trans	-63.1	-46.3	175.5	176.2	-106.4	0	0	0	112.4	K82 R83 T84 A88 S89 L90	K82-Y86 WeakPolarHBondContact O-CB 3.48Å; K82-Y86 PolarHBondContact O-N 2.86Å; R83-Y86 PolarHBondContact O-N 2.82Å; T84-Y86 VanDerWaalsContact C-N 3.35Å; T84-Y86 PolarHBondContact O-N 3.45Å; Y86-A88 VanDerWaalsContact C-N 3.32Å; Y86-A88 PolarHBondContact O-N 3.02Å; Y86-S89 PolarHBondContact O-N 3.22Å; Y86-S89 PolarHBondContact O-OG 2.92Å; Y86-L90 HydrophobicContact CD1-CD1 3.9Å; Y86-L90 HydrophobicContact CD1-CG 4.49Å; Y86-L90 HydrophobicContact CD2-CG 4.46Å; Y86-L90 HydrophobicContact CE1-CD1 3.32Å; Y86-L90 HydrophobicContact CE1-CG 4.13Å; Y86-L90 HydrophobicContact CE2-CD1 4.13Å; Y86-L90 HydrophobicContact CE2-CD2 4.25Å; Y86-L90 HydrophobicContact CE2-CG 4.09Å; Y86-L90 VanDerWaalsContact CZ-CD1 3.45Å; Y86-L90 WeakPolarHBondContact O-CB 3.4Å; Y86-L90 WeakPolarHBondContact O-CG 3.33Å; Y86-L90 PolarHBondContact O-N 3.32Å
87	I	97.2	Very high	97.1	Very high	76 Å²	76	102.8 Å²	102.8	39%	0.39	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-39.8	177.1	-66.6	168	0	0	0	110.8	R83 T84 N91	R83-I87 HydrophobicContact CG-CD1 3.97Å; R83-I87 WeakPolarHBondContact O-CG1 3.35Å; R83-I87 PolarHBondContact O-N 3.24Å; T84-I87 PolarHBondContact O-N 3.44Å; I87-N91 PolarHBondContact O-N 2.98Å; I87-N91 PolarHBondContact O-ND2 2.9Å
88	A	96.9	Very high	97.1	Very high	60 Å²	60	105.3 Å²	105.3	50%	0.496	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-44	176.6	0	0	0	0	0	111.4	T84 Q85 Y86 N91 K92	T84-A88 WeakPolarHBondContact O-CB 3.49Å; T84-A88 PolarHBondContact O-N 3Å; Q85-A88 PolarHBondContact O-N 3.46Å; Y86-A88 VanDerWaalsContact C-N 3.32Å; Y86-A88 PolarHBondContact O-N 3.02Å; A88-N91 PolarHBondContact O-N 3.25Å; A88-K92 WeakPolarHBondContact O-CB 3.44Å; A88-K92 PolarHBondContact O-N 2.95Å
89	S	96.7	Very high	97	Very high	75 Å²	75	107.5 Å²	107.5	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-66.5	-41.7	179.3	70.5	0	0	0	0	112.3	Q85 Y86 N91 K92	Q85-S89 WeakPolarHBondContact O-CB 3.29Å; Q85-S89 PolarHBondContact O-N 3.37Å; Q85-S89 PolarHBondContact O-OG 3.18Å; Y86-S89 PolarHBondContact O-N 3.22Å; Y86-S89 PolarHBondContact O-OG 2.92Å; S89-N91 VanDerWaalsContact C-N 3.32Å; S89-N91 PolarHBondContact O-N 3.42Å; S89-K92 PolarHBondContact O-N 3.41Å
90	L	97	Very high	96.9	Very high	95 Å²	95	105.7 Å²	105.7	50%	0.497	53%	0.532	S	S	.	.	H	α-helix	trans	-59.5	-40.3	176.2	-77.3	-179.1	0	0	0	113	Y86	Y86-L90 HydrophobicContact CD1-CD1 3.9Å; Y86-L90 HydrophobicContact CD1-CG 4.49Å; Y86-L90 HydrophobicContact CD2-CG 4.46Å; Y86-L90 HydrophobicContact CE1-CD1 3.32Å; Y86-L90 HydrophobicContact CE1-CG 4.13Å; Y86-L90 HydrophobicContact CE2-CD1 4.13Å; Y86-L90 HydrophobicContact CE2-CD2 4.25Å; Y86-L90 HydrophobicContact CE2-CG 4.09Å; Y86-L90 VanDerWaalsContact CZ-CD1 3.45Å; Y86-L90 WeakPolarHBondContact O-CB 3.4Å; Y86-L90 WeakPolarHBondContact O-CG 3.33Å; Y86-L90 PolarHBondContact O-N 3.32Å
91	N	97	Very high	96.8	Very high	66 Å²	66	106.8 Å²	106.8	35%	0.353	54%	0.537	S	S	.	.	H	α-helix	trans	-94.8	-12.2	-174.2	-66.4	-53.8	0	0	0	113.7	I87 A88 S89 G93 K94 V95	I87-N91 PolarHBondContact O-N 2.98Å; I87-N91 PolarHBondContact O-ND2 2.9Å; A88-N91 PolarHBondContact O-N 3.25Å; S89-N91 VanDerWaalsContact C-N 3.32Å; S89-N91 PolarHBondContact O-N 3.42Å; N91-G93 VanDerWaalsContact C-N 3.32Å; N91-G93 PolarHBondContact O-N 3.18Å; N91-K94 PolarHBondContact O-N 3.4Å; N91-V95 WeakPolarHBondContact O-CG2 3.34Å; N91-V95 PolarHBondContact O-N 2.92Å
92	K	96.9	Very high	96.7	Very high	140 Å²	140	107.7 Å²	107.7	61%	0.609	54%	0.542	S	S	*	.	H	α-helix	trans	-50	-49.6	-177.7	-177.2	175.8	179.7	-178.3	0	112.4	A88 S89 V95 I96	A88-K92 WeakPolarHBondContact O-CB 3.44Å; A88-K92 PolarHBondContact O-N 2.95Å; S89-K92 PolarHBondContact O-N 3.41Å; K92-V95 PolarHBondContact O-N 2.9Å; K92-I96 HydrophobicContact CG-CD1 3.76Å; K92-I96 WeakPolarHBondContact O-CB 3.36Å; K92-I96 VanDerWaalsContact O-CG1 3.23Å; K92-I96 WeakPolarHBondContact O-CG1 3.28Å; K92-I96 PolarHBondContact O-N 3.45Å
93	G	95.9	Very high	96.5	Very high	47 Å²	47	105.5 Å²	105.5	49%	0.485	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-48.4	-179.2	0	0	0	0	0	112.9	N91 V95 I96 E97	N91-G93 VanDerWaalsContact C-N 3.32Å; N91-G93 PolarHBondContact O-N 3.18Å; G93-V95 VanDerWaalsContact C-N 3.32Å; G93-V95 PolarHBondContact O-N 3.34Å; G93-I96 PolarHBondContact O-N 3.48Å; G93-E97 PolarHBondContact O-N 3.42Å
94	K	96.6	Very high	96.3	Very high	146 Å²	146	101.7 Å²	101.7	64%	0.635	54%	0.54	S	S	*	.	H	α-helix	trans	-60.5	-41.6	179.3	-62.9	179.8	-177.8	175.9	0	112.1	N91 M98	N91-K94 PolarHBondContact O-N 3.4Å; K94-M98 WeakPolarHBondContact O-CB 3.23Å; K94-M98 PolarHBondContact O-N 3Å
95	V	97.2	Very high	96.1	Very high	71 Å²	71	102.1 Å²	102.1	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-68.1	-42.1	178.5	174.5	0	0	0	0	110.8	N91 K92 G93 M98 L99	N91-V95 WeakPolarHBondContact O-CG2 3.34Å; N91-V95 PolarHBondContact O-N 2.92Å; K92-V95 PolarHBondContact O-N 2.9Å; G93-V95 VanDerWaalsContact C-N 3.32Å; G93-V95 PolarHBondContact O-N 3.34Å; V95-M98 PolarHBondContact O-N 2.94Å; V95-L99 HydrophobicContact CG1-CD1 3.94Å; V95-L99 HydrophobicContact CG1-CG 4.38Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.28Å; V95-L99 WeakPolarHBondContact O-CG 3.33Å; V95-L99 PolarHBondContact O-N 3.39Å
96	I	96.8	Very high	95.8	Very high	83 Å²	83	102 Å²	102	43%	0.426	55%	0.546	S	S	.	.	H	α-helix	trans	-61.4	-47.7	176.2	-70.8	168.2	0	0	0	110.8	K92 G93 M98 L99 L100	K92-I96 HydrophobicContact CG-CD1 3.76Å; K92-I96 WeakPolarHBondContact O-CB 3.36Å; K92-I96 VanDerWaalsContact O-CG1 3.23Å; K92-I96 WeakPolarHBondContact O-CG1 3.28Å; K92-I96 PolarHBondContact O-N 3.45Å; G93-I96 PolarHBondContact O-N 3.48Å; I96-M98 PolarHBondContact O-N 3.39Å; I96-L99 PolarHBondContact O-N 3.49Å; I96-L100 HydrophobicContact CG2-CD1 3.87Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CB 3.41Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 2.99Å
97	E	96.3	Very high	95.3	Very high	141 Å²	141	99.2 Å²	99.2	66%	0.659	54%	0.544	S	S	*	.	H	α-helix	trans	-60.7	-45.4	178.8	-174	-175.6	172.2	0	0	111.8	G93 L99 L100 K101	G93-E97 PolarHBondContact O-N 3.42Å; E97-L99 PolarHBondContact O-N 3.5Å; E97-L100 PolarHBondContact O-N 3.48Å; E97-K101 WeakPolarHBondContact O-CB 3.42Å; E97-K101 PolarHBondContact O-N 3.44Å
98	M	96.3	Very high	95	Very high	106 Å²	106	101.3 Å²	101.3	52%	0.522	56%	0.563	S	S	.	*	H	α-helix	trans	-59.7	-46.4	176	-176.6	-169.9	75.2	0	0	111.7	K94 V95 I96 K101 L102	K94-M98 WeakPolarHBondContact O-CB 3.23Å; K94-M98 PolarHBondContact O-N 3Å; V95-M98 PolarHBondContact O-N 2.94Å; I96-M98 PolarHBondContact O-N 3.39Å; M98-K101 PolarHBondContact O-N 3.49Å; M98-L102 HydrophobicContact CG-CD1 4.22Å; M98-L102 WeakPolarHBondContact O-CG 3.48Å; M98-L102 PolarHBondContact O-N 2.9Å
99	L	96.2	Very high	94.6	Very high	95 Å²	95	107.1 Å²	107.1	50%	0.497	58%	0.577	S	S	.	*	H	α-helix	trans	-62.2	-47.2	178.2	-74.7	171.3	0	0	0	111.2	V95 I96 E97 K101 L102 T103	V95-L99 HydrophobicContact CG1-CD1 3.94Å; V95-L99 HydrophobicContact CG1-CG 4.38Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.28Å; V95-L99 WeakPolarHBondContact O-CG 3.33Å; V95-L99 PolarHBondContact O-N 3.39Å; I96-L99 PolarHBondContact O-N 3.49Å; E97-L99 PolarHBondContact O-N 3.5Å; L99-K101 VanDerWaalsContact C-N 3.35Å; L99-K101 PolarHBondContact O-N 3.43Å; L99-L102 PolarHBondContact O-N 3.05Å; L99-T103 WeakPolarHBondContact O-CG2 3.25Å; L99-T103 PolarHBondContact O-N 2.93Å; L99-T103 PolarHBondContact O-OG1 3.24Å; L99-T103 VanDerWaalsContact O-OG1 3.05Å
100	L	96.1	Very high	94.2	Very high	102 Å²	102	110.4 Å²	110.4	53%	0.534	59%	0.588	S	S	.	*	H	α-helix	trans	-60.2	-43.4	178.3	-73.2	173.8	0	0	0	112	I96 E97 L102 T103 C104	I96-L100 HydrophobicContact CG2-CD1 3.87Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CB 3.41Å; I96-L100 WeakPolarHBondContact O-CG 3.49Å; I96-L100 PolarHBondContact O-N 2.99Å; E97-L100 PolarHBondContact O-N 3.48Å; L100-L102 PolarHBondContact O-N 2.92Å; L100-T103 WeakPolarHBondContact CA-OG1 3.37Å; L100-T103 PolarHBondContact O-N 2.93Å; L100-T103 PolarHBondContact O-OG1 3.09Å; L100-C104 WeakPolarHBondContact O-CB 3.37Å; L100-C104 PolarHBondContact O-N 3.26Å; L100-C104 PolarHBondContact O-SG 3.07Å; L100-C104 VanDerWaalsContact O-SG 3.35Å
101	K	95.4	Very high	93.9	Very high	156 Å²	156	112.3 Å²	112.3	68%	0.678	59%	0.594	S	S	*	*	H	α-helix	trans	-60.2	-46	177	-174.1	176.9	180	178.2	0	111.4	E97 M98 L99 D105	E97-K101 WeakPolarHBondContact O-CB 3.42Å; E97-K101 PolarHBondContact O-N 3.44Å; M98-K101 PolarHBondContact O-N 3.49Å; L99-K101 VanDerWaalsContact C-N 3.35Å; L99-K101 PolarHBondContact O-N 3.43Å; K101-D105 VanDerWaalsContact O-CB 3.25Å; K101-D105 WeakPolarHBondContact O-CB 3.34Å; K101-D105 PolarHBondContact O-N 3.44Å; K101-D105 VanDerWaalsContact O-N 3.09Å
102	L	94.2	Very high	93.7	Very high	119 Å²	119	113.9 Å²	113.9	62%	0.623	62%	0.616	S	S	*	*	H	α-helix	trans	-67.1	-35.3	178.6	-71.7	172.1	0	0	0	112.8	M98 L99 L100	M98-L102 HydrophobicContact CG-CD1 4.22Å; M98-L102 WeakPolarHBondContact O-CG 3.48Å; M98-L102 PolarHBondContact O-N 2.9Å; L99-L102 PolarHBondContact O-N 3.05Å; L100-L102 PolarHBondContact O-N 2.92Å
103	T	94.2	Very high	93.5	Very high	100 Å²	100	113.2 Å²	113.2	61%	0.613	62%	0.619	S	S	*	*	H	α-helix	trans	-77.6	-28.3	179.8	52.4	0	0	0	0	113.5	L99 L100	L99-T103 WeakPolarHBondContact O-CG2 3.25Å; L99-T103 PolarHBondContact O-N 2.93Å; L99-T103 PolarHBondContact O-OG1 3.24Å; L99-T103 VanDerWaalsContact O-OG1 3.05Å; L100-T103 WeakPolarHBondContact CA-OG1 3.37Å; L100-T103 PolarHBondContact O-N 2.93Å; L100-T103 PolarHBondContact O-OG1 3.09Å
104	C	93.9	Very high	93.2	Very high	99 Å²	99	115.2 Å²	115.2	67%	0.669	62%	0.622	S	S	*	*	H	α-helix	trans	-92.6	-16	-179.5	-65.1	0	0	0	0	113.5	L100 V106	L100-C104 WeakPolarHBondContact O-CB 3.37Å; L100-C104 PolarHBondContact O-N 3.26Å; L100-C104 PolarHBondContact O-SG 3.07Å; L100-C104 VanDerWaalsContact O-SG 3.35Å; C104-V106 VanDerWaalsContact C-N 3.31Å; C104-V106 PolarHBondContact O-N 3.05Å
105	D	92.6	Very high	92.6	Very high	103 Å²	103	119.5 Å²	119.5	55%	0.551	63%	0.634	S	S	*	*			trans	-81.7	74.9	176.1	-170.9	14.9	0	0	0	111.1	K101 T107	K101-D105 VanDerWaalsContact O-CB 3.25Å; K101-D105 WeakPolarHBondContact O-CB 3.34Å; K101-D105 PolarHBondContact O-N 3.44Å; K101-D105 VanDerWaalsContact O-N 3.09Å; D105-T107 PolarHBondContact O-N 3.3Å; D105-T107 VanDerWaalsContact O-N 3.09Å
106	V	90	Very high	91.6	Very high	118 Å²	118	124.4 Å²	124.4	72%	0.715	68%	0.682	S	S	*	*			trans	-75.4	100.3	177	-175.9	0	0	0	0	108.8	C104 P108	C104-V106 VanDerWaalsContact C-N 3.31Å; C104-V106 PolarHBondContact O-N 3.05Å; V106-P108 WeakPolarHBondContact O-CD 3.06Å
107	T	89	Confident	91.4	Very high	86 Å²	86	126.5 Å²	126.5	53%	0.528	70%	0.695	S	S	.	*			trans	-97.4	90.5	169.7	63.5	0	0	0	0	109.9	D105 K109	D105-T107 PolarHBondContact O-N 3.3Å; D105-T107 VanDerWaalsContact O-N 3.09Å; T107-K109 PolarHBondContact O-N 3.09Å
108	P	89.3	Confident	91.1	Very high	119 Å²	119	125.7 Å²	125.7	77%	0.773	70%	0.697	S	S	*	*			trans	-63.2	124.2	175.5	27.5	-33.4	0	0	0	108.7	V106	V106-P108 WeakPolarHBondContact O-CD 3.06Å
109	K	89.8	Confident	90.8	Very high	182 Å²	182	126.8 Å²	126.8	79%	0.791	71%	0.707	S	S	*	*			trans	-116.9	132.7	173.1	-68.2	-175.8	-178.2	178.7	0	108.1	T107	T107-K109 PolarHBondContact O-N 3.09Å
110	L	87.3	Confident	90.5	Very high	145 Å²	145	128.7 Å²	128.7	76%	0.759	72%	0.719	S	S	*	*			trans	-59.5	142	168.1	-74.3	164.4	0	0	0	108.6	A112 V114	L110-A112 PolarHBondContact O-N 3.2Å; L110-V114 HydrophobicContact CB-CG2 4.35Å; L110-V114 HydrophobicContact CD2-CG1 4.43Å; L110-V114 HydrophobicContact CD2-CG2 4.17Å
111	H	91.4	Very high	90.2	Very high	135 Å²	135	130.4 Å²	130.4	63%	0.625	73%	0.731	S	S	*	*			trans	-59.1	140.2	173.7	-171.2	-89.1	0	0	0	109.1	N113 V114	H111-N113 PolarHBondContact ND1-N 3Å; H111-N113 PolarHBondContact O-N 2.98Å; H111-V114 HydrophobicContact CB-CG2 4.3Å; H111-V114 WeakPolarHBondContact O-CG2 3.36Å; H111-V114 PolarHBondContact O-N 3.35Å
112	A	92.1	Very high	89.8	Confident	99 Å²	99	128.7 Å²	128.7	82%	0.818	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-19.3	-171.5	0	0	0	0	0	114.6	L110	L110-A112 PolarHBondContact O-N 3.2Å
113	N	93.5	Very high	89.5	Confident	125 Å²	125	129.4 Å²	129.4	67%	0.668	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	11.9	-176.4	-60.5	-21	0	0	0	114.3	H111 R115	H111-N113 PolarHBondContact ND1-N 3Å; H111-N113 PolarHBondContact O-N 2.98Å; N113-R115 PolarHBondContact O-N 3.33Å
114	V	89.7	Confident	89.2	Confident	90 Å²	90	131.6 Å²	131.6	55%	0.545	75%	0.752	S	S	.	*			trans	-62.2	121.3	176.4	163	0	0	0	0	109.7	L110 H111	L110-V114 HydrophobicContact CB-CG2 4.35Å; L110-V114 HydrophobicContact CD2-CG1 4.43Å; L110-V114 HydrophobicContact CD2-CG2 4.17Å; H111-V114 HydrophobicContact CB-CG2 4.3Å; H111-V114 WeakPolarHBondContact O-CG2 3.36Å; H111-V114 PolarHBondContact O-N 3.35Å
115	R	83.8	Confident	88.8	Confident	235 Å²	235	134.3 Å²	134.3	89%	0.887	76%	0.759	S	S	*	*			trans	-105.5	140.7	170.9	-64.5	-177.4	179	-176.2	-0.8	108.3	N113	N113-R115 PolarHBondContact O-N 3.33Å
116	A	76.9	Confident	88.4	Confident	175 Å²	175	137.2 Å²	137.2	100%	1.446	78%	0.778	S	S	*	*			trans	-64	0	179.5	0	0	0	0	0	112.7

Retrieved 116 of 116 residues in 183.1 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).