A0A077ZFM4_TRITR Loading...

Vacuolar protein-sorting-associated protein 25

AlphaFold DB , UniProt , Accession A0A077ZFM4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 aa.

						>A0A077ZFM4_TRITR|A0A077ZFM4
MQPNICSLQPNVETRRKQLEAWASLVLKYAEEKKISQLVVLDAQQCELFHNVKLNSRVIWMDKQRSRCRIYWKSPAEWAELIYDWVTGLMICNRASRIGFRGTVCTLYEITHGPDCAGERRLTFVSANFHANGYL
					

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	35.2	Very low	44.6	Very low	241 Å²	241	110.7 Å²	110.7	100%	1.187	62%	0.619	S	S	*	*				0	111.4	0	-83.9	171	168.1	0	0	108.2
2	Q	38.4	Very low	46	Very low	158 Å²	158	111.2 Å²	111.2	74%	0.738	63%	0.626	S	S	*	*			trans	-112.5	119.7	165.2	-74.3	-144.4	-31.4	0	0	108.4	N4	Q2-N4 VanDerWaalsContact C-N 3.25Å; Q2-N4 PolarHBondContact O-N 3.15Å; Q2-N4 VanDerWaalsContact O-N 3.14Å
3	P	40.9	Very low	47	Very low	139 Å²	139	113.3 Å²	113.3	90%	0.903	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	14.6	-167.4	-12.9	29.7	0	0	0	116.1
4	N	47.1	Very low	47.7	Very low	86 Å²	86	109.1 Å²	109.1	46%	0.46	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.7	6.7	-167.9	63.9	-12.4	0	0	0	114.8	Q2 Q18	Q2-N4 VanDerWaalsContact C-N 3.25Å; Q2-N4 PolarHBondContact O-N 3.15Å; Q2-N4 VanDerWaalsContact O-N 3.14Å; N4-Q18 PolarHBondContact O-NE2 3.36Å
5	I	42.9	Very low	48.2	Very low	56 Å²	56	107.4 Å²	107.4	29%	0.287	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	-20.2	-169.3	-121.4	171.1	0	0	0	113.1	W22	I5-W22 HydrophobicContact CB-CZ2 4.28Å; I5-W22 HydrophobicContact CG2-CD2 4.41Å; I5-W22 HydrophobicContact CG2-CH2 3.8Å; I5-W22 HydrophobicContact CG2-CZ2 3.18Å; I5-W22 WeakPolarHBondContact O-CZ2 3.31Å; I5-W22 PolarHBondContact O-NE1 3.49Å
6	C	39.5	Very low	48.7	Very low	116 Å²	116	108.5 Å²	108.5	78%	0.784	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	2.7	-178.9	-62.1	0	0	0	0	115.3
7	S	43.4	Very low	49.6	Very low	74 Å²	74	109.8 Å²	109.8	52%	0.517	58%	0.58	S	S	.	*	S	Bend	trans	-109.7	110.8	175.6	-179.5	0	0	0	0	109.6	Q9 Q18	S7-Q9 PolarHBondContact O-N 3.14Å; S7-Q9 VanDerWaalsContact O-N 3.1Å; S7-Q9 PolarHBondContact O-NE2 2.76Å; S7-Q18 PolarHBondContact O-NE2 2.85Å; S7-Q18 VanDerWaalsContact O-NE2 3.11Å
8	L	49.6	Very low	49.7	Very low	89 Å²	89	104.8 Å²	104.8	47%	0.466	55%	0.552	S	S	.	*			trans	-60.3	110.3	-178.4	-153	81.3	0	0	0	109.8	E47	L8-E47 VanDerWaalsContact CD1-OE2 3.26Å; L8-E47 WeakPolarHBondContact CD1-OE2 3.36Å; L8-E47 WeakPolarHBondContact CD2-OE1 3.37Å
9	Q	46.2	Very low	49.9	Very low	64 Å²	64	101.9 Å²	101.9	30%	0.299	54%	0.537	S	S	.	.			trans	-71.4	135.2	-176.9	-62.7	-68.1	-63.8	0	0	110	S7 N11 T14 R15 Q18	S7-Q9 PolarHBondContact O-N 3.14Å; S7-Q9 VanDerWaalsContact O-N 3.1Å; S7-Q9 PolarHBondContact O-NE2 2.76Å; Q9-N11 PolarHBondContact O-N 3.2Å; Q9-T14 HydrophobicContact CB-CG2 3.91Å; Q9-T14 HydrophobicContact CG-CG2 3.74Å; Q9-R15 PolarHBondContact O-NE 3.1Å; Q9-R15 PolarHBondContact O-NH2 3.3Å; Q9-Q18 VanDerWaalsContact CG-CD 3.49Å; Q9-Q18 VanDerWaalsContact CG-NE2 3.32Å; Q9-Q18 VanDerWaalsContact CG-OE1 3.32Å
10	P	49.5	Very low	50.4	Low	110 Å²	110	100 Å²	100	71%	0.714	53%	0.525	S	S	*	.	S	Bend	trans	-67.1	-24.5	178.1	25.1	-32.1	0	0	0	112	V12	P10-V12 PolarHBondContact O-N 3.4Å
11	N	57.8	Low	50.9	Low	85 Å²	85	97.2 Å²	97.2	46%	0.455	52%	0.517	S	S	.	.	S	Bend	trans	-76.1	122	177.8	-175.1	-24.7	0	0	0	111.3	Q9 E13 T14 R15	Q9-N11 PolarHBondContact O-N 3.2Å; N11-E13 VanDerWaalsContact C-N 3.33Å; N11-E13 PolarHBondContact O-N 2.97Å; N11-E13 PolarHBondContact OD1-N 3.42Å; N11-T14 PolarHBondContact O-N 3.08Å; N11-T14 VanDerWaalsContact O-N 3.15Å; N11-R15 WeakPolarHBondContact O-CB 3.17Å; N11-R15 PolarHBondContact O-N 2.69Å
12	V	61.8	Low	51.8	Low	116 Å²	116	89.8 Å²	89.8	70%	0.703	48%	0.476	S	S	*	.	H	α-helix	trans	-55.1	-42.9	-179.3	179.2	0	0	0	0	112.6	P10 T14 R15 R16	P10-V12 PolarHBondContact O-N 3.4Å; V12-T14 VanDerWaalsContact C-N 3.35Å; V12-T14 PolarHBondContact O-N 3.35Å; V12-R15 PolarHBondContact O-N 3.07Å; V12-R16 PolarHBondContact O-N 3.2Å
13	E	58.9	Low	52.7	Low	139 Å²	139	82.9 Å²	82.9	65%	0.65	45%	0.445	S	S	*	.	H	α-helix	trans	-68.9	-37	-179.4	-66.7	-165	145.2	0	0	112.2	N11 K17	N11-E13 VanDerWaalsContact C-N 3.33Å; N11-E13 PolarHBondContact O-N 2.97Å; N11-E13 PolarHBondContact OD1-N 3.42Å; E13-K17 PolarHBondContact O-N 2.81Å
14	T	56.5	Low	53.7	Low	54 Å²	54	79.8 Å²	79.8	33%	0.331	43%	0.427	S	S	.	.	H	α-helix	trans	-74.2	-38.9	179.8	-52	0	0	0	0	110.5	Q9 N11 V12 R16 K17 Q18	Q9-T14 HydrophobicContact CB-CG2 3.91Å; Q9-T14 HydrophobicContact CG-CG2 3.74Å; N11-T14 PolarHBondContact O-N 3.08Å; N11-T14 VanDerWaalsContact O-N 3.15Å; V12-T14 VanDerWaalsContact C-N 3.35Å; V12-T14 PolarHBondContact O-N 3.35Å; T14-R16 VanDerWaalsContact C-N 3.34Å; T14-R16 PolarHBondContact O-N 3.24Å; T14-K17 PolarHBondContact O-N 3.4Å; T14-Q18 PolarHBondContact O-N 3.42Å
15	R	55	Low	54.4	Low	84 Å²	84	80 Å²	80	32%	0.317	43%	0.427	S	S	.	.	H	α-helix	trans	-59.5	-43	172.5	-170.4	-176.5	-55.8	-174.4	3.5	111.7	Q9 N11 V12 K17 Q18 L19	Q9-R15 PolarHBondContact O-NE 3.1Å; Q9-R15 PolarHBondContact O-NH2 3.3Å; N11-R15 WeakPolarHBondContact O-CB 3.17Å; N11-R15 PolarHBondContact O-N 2.69Å; V12-R15 PolarHBondContact O-N 3.07Å; R15-K17 VanDerWaalsContact C-N 3.34Å; R15-K17 PolarHBondContact O-N 2.84Å; R15-Q18 PolarHBondContact O-N 3.44Å; R15-L19 HydrophobicContact CG-CD1 4.07Å; R15-L19 HydrophobicContact CG-CG 4.36Å; R15-L19 WeakPolarHBondContact O-CB 3.34Å; R15-L19 WeakPolarHBondContact O-CG 3.2Å; R15-L19 PolarHBondContact O-N 3.31Å
16	R	56.9	Low	55.1	Low	125 Å²	125	79.6 Å²	79.6	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-57.7	-46.8	174.9	-173.1	-173.1	65.5	75.9	2.2	111.5	V12 T14 L19 E20	V12-R16 PolarHBondContact O-N 3.2Å; T14-R16 VanDerWaalsContact C-N 3.34Å; T14-R16 PolarHBondContact O-N 3.24Å; R16-L19 PolarHBondContact O-N 2.78Å; R16-E20 IonicContact CZ-OE1 3.88Å; R16-E20 IonicContact CZ-OE2 3.54Å; R16-E20 IonicContact NH1-OE1 2.78Å; R16-E20 PolarHBondContact NH1-OE1 3.03Å; R16-E20 IonicContact NH1-OE2 2.9Å; R16-E20 PolarHBondContact NH1-OE2 2.75Å; R16-E20 WeakPolarHBondContact O-CB 3.43Å; R16-E20 WeakPolarHBondContact O-CG 3.32Å; R16-E20 PolarHBondContact O-N 3.49Å
17	K	63.1	Low	56.2	Low	131 Å²	131	75.5 Å²	75.5	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-63.5	-40.5	177.5	-70.4	-179.2	-178.3	176.6	0	112	E13 T14 R15 A21	E13-K17 PolarHBondContact O-N 2.81Å; T14-K17 PolarHBondContact O-N 3.4Å; R15-K17 VanDerWaalsContact C-N 3.34Å; R15-K17 PolarHBondContact O-N 2.84Å; K17-A21 WeakPolarHBondContact O-CB 3.17Å; K17-A21 PolarHBondContact O-N 3.4Å
18	Q	51.8	Low	57.2	Low	19 Å²	19	78.2 Å²	78.2	9%	0.089	40%	0.4	C	S	.	.	H	α-helix	trans	-61.9	-48.6	174.1	-75.9	-177	-39.9	0	0	111.4	N4 S7 Q9 T14 R15 E20 A21 W22	N4-Q18 PolarHBondContact O-NE2 3.36Å; S7-Q18 PolarHBondContact O-NE2 2.85Å; S7-Q18 VanDerWaalsContact O-NE2 3.11Å; Q9-Q18 VanDerWaalsContact CG-CD 3.49Å; Q9-Q18 VanDerWaalsContact CG-NE2 3.32Å; Q9-Q18 VanDerWaalsContact CG-OE1 3.32Å; T14-Q18 PolarHBondContact O-N 3.42Å; R15-Q18 PolarHBondContact O-N 3.44Å; Q18-E20 VanDerWaalsContact C-N 3.34Å; Q18-E20 PolarHBondContact O-N 3.44Å; Q18-A21 WeakPolarHBondContact O-CB 3.47Å; Q18-A21 PolarHBondContact O-N 2.8Å; Q18-W22 WeakPolarHBondContact O-CB 3.2Å; Q18-W22 PolarHBondContact O-N 3.42Å
19	L	54.2	Low	57.5	Low	50 Å²	50	79.9 Å²	79.9	26%	0.262	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-37.7	179.5	-71.2	172.6	0	0	0	112.3	R15 R16 W22 A23 E47	R15-L19 HydrophobicContact CG-CD1 4.07Å; R15-L19 HydrophobicContact CG-CG 4.36Å; R15-L19 WeakPolarHBondContact O-CB 3.34Å; R15-L19 WeakPolarHBondContact O-CG 3.2Å; R15-L19 PolarHBondContact O-N 3.31Å; R16-L19 PolarHBondContact O-N 2.78Å; L19-W22 PolarHBondContact O-N 3.2Å; L19-A23 VanDerWaalsContact O-CB 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.1Å; L19-E47 HydrophobicContact CD2-CB 4.5Å
20	E	59.8	Low	58.2	Low	63 Å²	63	77.6 Å²	77.6	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-40.2	173.6	-77.5	175.4	178.7	0	0	112	R16 Q18 S24	R16-E20 IonicContact CZ-OE1 3.88Å; R16-E20 IonicContact CZ-OE2 3.54Å; R16-E20 IonicContact NH1-OE1 2.78Å; R16-E20 PolarHBondContact NH1-OE1 3.03Å; R16-E20 IonicContact NH1-OE2 2.9Å; R16-E20 PolarHBondContact NH1-OE2 2.75Å; R16-E20 WeakPolarHBondContact O-CB 3.43Å; R16-E20 WeakPolarHBondContact O-CG 3.32Å; R16-E20 PolarHBondContact O-N 3.49Å; Q18-E20 VanDerWaalsContact C-N 3.34Å; Q18-E20 PolarHBondContact O-N 3.44Å; E20-S24 WeakPolarHBondContact O-CB 3.44Å; E20-S24 PolarHBondContact O-N 3.04Å; E20-S24 PolarHBondContact O-OG 2.98Å
21	A	59.8	Low	58.8	Low	43 Å²	43	77.7 Å²	77.7	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-43.4	174.8	0	0	0	0	0	111.7	K17 Q18 S24 L25	K17-A21 WeakPolarHBondContact O-CB 3.17Å; K17-A21 PolarHBondContact O-N 3.4Å; Q18-A21 WeakPolarHBondContact O-CB 3.47Å; Q18-A21 PolarHBondContact O-N 2.8Å; A21-S24 PolarHBondContact O-N 3.18Å; A21-L25 WeakPolarHBondContact O-CB 3.22Å; A21-L25 PolarHBondContact O-N 3.23Å
22	W	54.2	Low	59.3	Low	85 Å²	85	80.6 Å²	80.6	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-44.6	174.3	-85.7	110.6	0	0	0	112.1	I5 Q18 L19 S24 L25 V26	I5-W22 HydrophobicContact CB-CZ2 4.28Å; I5-W22 HydrophobicContact CG2-CD2 4.41Å; I5-W22 HydrophobicContact CG2-CH2 3.8Å; I5-W22 HydrophobicContact CG2-CZ2 3.18Å; I5-W22 WeakPolarHBondContact O-CZ2 3.31Å; I5-W22 PolarHBondContact O-NE1 3.49Å; Q18-W22 WeakPolarHBondContact O-CB 3.2Å; Q18-W22 PolarHBondContact O-N 3.42Å; L19-W22 PolarHBondContact O-N 3.2Å; W22-S24 VanDerWaalsContact C-N 3.31Å; W22-S24 PolarHBondContact O-N 3.44Å; W22-L25 HydrophobicContact CE3-CD2 4.2Å; W22-L25 HydrophobicContact CZ3-CD2 4.26Å; W22-L25 PolarHBondContact O-N 3.11Å; W22-V26 WeakPolarHBondContact O-CB 3.1Å; W22-V26 VanDerWaalsContact O-CG2 3.31Å; W22-V26 WeakPolarHBondContact O-CG2 3.33Å; W22-V26 PolarHBondContact O-N 3.07Å
23	A	58.1	Low	59.2	Low	12 Å²	12	81 Å²	81	10%	0.099	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-44	175.5	0	0	0	0	0	110.8	L19 L25 V26 L27 L54	L19-A23 VanDerWaalsContact O-CB 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.1Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.31Å; A23-V26 PolarHBondContact O-N 2.97Å; A23-L27 VanDerWaalsContact O-CB 3.31Å; A23-L27 WeakPolarHBondContact O-CB 3.34Å; A23-L27 WeakPolarHBondContact O-CD1 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.2Å; A23-L27 PolarHBondContact O-N 2.71Å; A23-L54 HydrophobicContact CB-CD1 4.35Å
24	S	61.2	Low	59.3	Low	74 Å²	74	81.6 Å²	81.6	52%	0.517	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-38.5	176.2	-57.3	0	0	0	0	111.9	E20 A21 W22 K28	E20-S24 WeakPolarHBondContact O-CB 3.44Å; E20-S24 PolarHBondContact O-N 3.04Å; E20-S24 PolarHBondContact O-OG 2.98Å; A21-S24 PolarHBondContact O-N 3.18Å; W22-S24 VanDerWaalsContact C-N 3.31Å; W22-S24 PolarHBondContact O-N 3.44Å; S24-K28 WeakPolarHBondContact O-CB 3.48Å; S24-K28 PolarHBondContact O-N 3.03Å
25	L	61.3	Low	59.4	Low	90 Å²	90	82.1 Å²	82.1	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-67.9	-44	176.7	-173.2	70.4	0	0	0	111.6	A21 W22 A23 L27 K28 Y29	A21-L25 WeakPolarHBondContact O-CB 3.22Å; A21-L25 PolarHBondContact O-N 3.23Å; W22-L25 HydrophobicContact CE3-CD2 4.2Å; W22-L25 HydrophobicContact CZ3-CD2 4.26Å; W22-L25 PolarHBondContact O-N 3.11Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.31Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-K28 PolarHBondContact O-N 3.33Å; L25-Y29 WeakPolarHBondContact O-CB 3.1Å; L25-Y29 PolarHBondContact O-N 3.1Å
26	V	59	Low	59.5	Low	48 Å²	48	79.7 Å²	79.7	29%	0.291	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-41.3	176.2	171.6	0	0	0	0	110.4	W22 A23 Y29 A30 L48	W22-V26 WeakPolarHBondContact O-CB 3.1Å; W22-V26 VanDerWaalsContact O-CG2 3.31Å; W22-V26 WeakPolarHBondContact O-CG2 3.33Å; W22-V26 PolarHBondContact O-N 3.07Å; A23-V26 PolarHBondContact O-N 2.97Å; V26-Y29 PolarHBondContact O-N 2.87Å; V26-A30 WeakPolarHBondContact O-CB 3.17Å; V26-A30 PolarHBondContact O-N 3.32Å; V26-L48 HydrophobicContact CG1-CD2 4.14Å; V26-L48 HydrophobicContact CG2-CD1 4.3Å; V26-L48 HydrophobicContact CG2-CD2 4.41Å
27	L	61.2	Low	59.2	Low	31 Å²	31	77.9 Å²	77.9	16%	0.162	38%	0.381	C	S	.	.	H	α-helix	trans	-64.8	-46.7	175.6	-72.4	168.8	0	0	0	111.6	A23 L25 Y29 A30 E31 W72	A23-L27 VanDerWaalsContact O-CB 3.31Å; A23-L27 WeakPolarHBondContact O-CB 3.34Å; A23-L27 WeakPolarHBondContact O-CD1 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.2Å; A23-L27 PolarHBondContact O-N 2.71Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L27-Y29 VanDerWaalsContact C-N 3.33Å; L27-Y29 PolarHBondContact O-N 3.19Å; L27-A30 PolarHBondContact O-N 3.18Å; L27-E31 WeakPolarHBondContact O-CB 3.4Å; L27-E31 PolarHBondContact O-N 3.19Å; L27-W72 HydrophobicContact CD2-CB 4.44Å
28	K	65.5	Low	58.9	Low	131 Å²	131	75.2 Å²	75.2	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-64.1	-38.8	176.1	-173.1	177.3	179.6	179.6	0	111.7	S24 L25 E31 E32	S24-K28 WeakPolarHBondContact O-CB 3.48Å; S24-K28 PolarHBondContact O-N 3.03Å; L25-K28 PolarHBondContact O-N 3.33Å; K28-E31 PolarHBondContact O-N 3.12Å; K28-E32 WeakPolarHBondContact O-CB 3.42Å; K28-E32 PolarHBondContact O-N 3.33Å
29	Y	56	Low	59	Low	124 Å²	124	78.7 Å²	78.7	49%	0.486	40%	0.395	S	S	.	.	H	α-helix	trans	-67.8	-41.1	175.6	-175.9	-97.7	0	0	0	111.5	L25 V26 L27 E31 E32 K33 I35	L25-Y29 WeakPolarHBondContact O-CB 3.1Å; L25-Y29 PolarHBondContact O-N 3.1Å; V26-Y29 PolarHBondContact O-N 2.87Å; L27-Y29 VanDerWaalsContact C-N 3.33Å; L27-Y29 PolarHBondContact O-N 3.19Å; Y29-E31 VanDerWaalsContact C-N 3.35Å; Y29-E32 PolarHBondContact O-N 3.07Å; Y29-K33 HydrophobicContact CD1-CG 4.19Å; Y29-K33 HydrophobicContact CD2-CG 4.03Å; Y29-K33 HydrophobicContact CE1-CB 4.44Å; Y29-K33 HydrophobicContact CE1-CG 3.86Å; Y29-K33 HydrophobicContact CE2-CD 4.29Å; Y29-K33 HydrophobicContact CE2-CG 3.68Å; Y29-K33 HydrophobicContact CG-CG 4.27Å; Y29-K33 WeakPolarHBondContact O-CB 3.48Å; Y29-K33 WeakPolarHBondContact O-CG 3.47Å; Y29-K33 PolarHBondContact O-N 3.07Å; Y29-I35 HydrophobicContact CD1-CD1 4.07Å; Y29-I35 HydrophobicContact CE1-CD1 3.64Å
30	A	59.8	Low	59	Low	16 Å²	16	76.7 Å²	76.7	13%	0.132	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-38.5	175	0	0	0	0	0	111.7	V26 L27 K34 I35	V26-A30 WeakPolarHBondContact O-CB 3.17Å; V26-A30 PolarHBondContact O-N 3.32Å; L27-A30 PolarHBondContact O-N 3.18Å; A30-K34 WeakPolarHBondContact O-CA 3.34Å; A30-K34 PolarHBondContact O-N 3.04Å; A30-I35 PolarHBondContact O-N 2.99Å
31	E	63.9	Low	58.6	Low	111 Å²	111	79.7 Å²	79.7	52%	0.519	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-49.8	172.3	-178	179	-163.2	0	0	111.2	L27 K28 Y29 K34	L27-E31 WeakPolarHBondContact O-CB 3.4Å; L27-E31 PolarHBondContact O-N 3.19Å; K28-E31 PolarHBondContact O-N 3.12Å; Y29-E31 VanDerWaalsContact C-N 3.35Å; E31-K34 PolarHBondContact O-N 3.26Å
32	E	67.2	Low	58.1	Low	147 Å²	147	84.9 Å²	84.9	69%	0.687	42%	0.424	S	S	*	.	H	α-helix	trans	-71	-36.6	-176.3	-169.8	166.3	-175.3	0	0	112.6	K28 Y29	K28-E32 WeakPolarHBondContact O-CB 3.42Å; K28-E32 PolarHBondContact O-N 3.33Å; Y29-E32 PolarHBondContact O-N 3.07Å
33	K	58.9	Low	57.9	Low	123 Å²	123	81.5 Å²	81.5	54%	0.535	41%	0.414	S	S	.	.	H	α-helix	trans	-90.6	-0.8	178.5	-65.6	-74.1	-174.6	177.9	0	113.8	Y29 I35	Y29-K33 HydrophobicContact CD1-CG 4.19Å; Y29-K33 HydrophobicContact CD2-CG 4.03Å; Y29-K33 HydrophobicContact CE1-CB 4.44Å; Y29-K33 HydrophobicContact CE1-CG 3.86Å; Y29-K33 HydrophobicContact CE2-CD 4.29Å; Y29-K33 HydrophobicContact CE2-CG 3.68Å; Y29-K33 HydrophobicContact CG-CG 4.27Å; Y29-K33 WeakPolarHBondContact O-CB 3.48Å; Y29-K33 WeakPolarHBondContact O-CG 3.47Å; Y29-K33 PolarHBondContact O-N 3.07Å; K33-I35 HydrophobicContact CB-CD1 3.57Å; K33-I35 HydrophobicContact CB-CG1 3.6Å; K33-I35 HydrophobicContact CG-CD1 4.29Å; K33-I35 PolarHBondContact O-N 2.83Å
34	K	61.8	Low	57.4	Low	153 Å²	153	90 Å²	90	67%	0.665	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	36.4	-176.4	-54.3	-178	180	178.4	0	112.7	A30 E31 S36 F124	A30-K34 WeakPolarHBondContact O-CA 3.34Å; A30-K34 PolarHBondContact O-N 3.04Å; E31-K34 PolarHBondContact O-N 3.26Å; K34-S36 PolarHBondContact O-N 3.29Å; K34-F124 HydrophobicContact CD-CE2 4.29Å; K34-F124 HydrophobicContact CG-CE2 4.22Å
35	I	57.7	Low	56.7	Low	64 Å²	64	95.5 Å²	95.5	33%	0.328	47%	0.469	S	S	.	.			trans	-79.4	104.9	-177.7	-62.7	168.3	0	0	0	107.6	Y29 A30 K33 Q37	Y29-I35 HydrophobicContact CD1-CD1 4.07Å; Y29-I35 HydrophobicContact CE1-CD1 3.64Å; A30-I35 PolarHBondContact O-N 2.99Å; K33-I35 HydrophobicContact CB-CD1 3.57Å; K33-I35 HydrophobicContact CB-CG1 3.6Å; K33-I35 HydrophobicContact CG-CD1 4.29Å; K33-I35 PolarHBondContact O-N 2.83Å; I35-Q37 WeakPolarHBondContact CG2-O 3.22Å
36	S	57.3	Low	56.1	Low	34 Å²	34	94.2 Å²	94.2	24%	0.238	47%	0.467	C	S	.	.			trans	-89	-14.1	-179.6	54.8	0	0	0	0	113.6	K34	K34-S36 PolarHBondContact O-N 3.29Å
37	Q	51.8	Low	55.9	Low	86 Å²	86	96.3 Å²	96.3	40%	0.402	47%	0.473	S	S	.	.			trans	-140.6	129.2	-174.7	-60.9	-176.2	-8.4	0	0	109.8	I35 R69 N132	I35-Q37 WeakPolarHBondContact CG2-O 3.22Å; Q37-R69 HydrophobicContact CG-CG 4.39Å; Q37-R69 VanDerWaalsContact NE2-NH2 3.19Å; Q37-N132 PolarHBondContact NE2-OD1 3.47Å
38	L	56.1	Low	55.5	Low	76 Å²	76	96.5 Å²	96.5	40%	0.398	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.3	169.5	-164	81.7	0	0	0	107.7	V40 I70	L38-V40 PolarHBondContact O-N 3.33Å; L38-I70 HydrophobicContact CB-CD1 4.24Å; L38-I70 HydrophobicContact CD2-CD1 3.82Å
39	V	53.4	Low	54.8	Low	91 Å²	91	93.9 Å²	93.9	55%	0.552	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.6	174.1	178.9	0	0	0	0	107.7	L41	V39-L41 VanDerWaalsContact C-N 3.25Å; V39-L41 HydrophobicContact CG1-CB 4.13Å; V39-L41 HydrophobicContact CG1-CD1 3.8Å; V39-L41 HydrophobicContact CG1-CG 3.93Å; V39-L41 PolarHBondContact O-N 3.42Å
40	V	55.6	Low	54.3	Low	9 Å²	9	96.2 Å²	96.2	6%	0.055	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-87.1	10.5	-170.6	175.4	0	0	0	0	112.2	L38 D42 A43 F49 W60 S66 C68	L38-V40 PolarHBondContact O-N 3.33Å; V40-D42 PolarHBondContact O-N 2.86Å; V40-D42 VanDerWaalsContact O-N 3.15Å; V40-A43 HydrophobicContact CG1-CB 4.13Å; V40-A43 PolarHBondContact O-N 3Å; V40-A43 VanDerWaalsContact O-N 3.08Å; V40-F49 HydrophobicContact CG1-CE2 4.13Å; V40-F49 HydrophobicContact CG1-CZ 4.05Å; V40-F49 HydrophobicContact CG2-CZ 3.89Å; V40-W60 HydrophobicContact CG1-CH2 4.28Å; V40-W60 HydrophobicContact CG1-CZ3 4.08Å; V40-W60 HydrophobicContact CG2-CZ3 4.47Å; V40-S66 PolarHBondContact N-O 3.01Å; V40-C68 HydrophobicContact CG2-CB 3.75Å; V40-C68 WeakPolarHBondContact CG2-SG 3.35Å
41	L	50.1	Low	53.8	Low	125 Å²	125	97.8 Å²	97.8	65%	0.654	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-65.2	-20.7	-176.7	-71	168.6	0	0	0	113	V39	V39-L41 VanDerWaalsContact C-N 3.25Å; V39-L41 HydrophobicContact CG1-CB 4.13Å; V39-L41 HydrophobicContact CG1-CD1 3.8Å; V39-L41 HydrophobicContact CG1-CG 3.93Å; V39-L41 PolarHBondContact O-N 3.42Å
42	D	50	Low	53.4	Low	153 Å²	153	98.3 Å²	98.3	82%	0.818	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-106.7	-5.1	172.4	-66.9	-36.5	0	0	0	114.1	V40 Q44	V40-D42 PolarHBondContact O-N 2.86Å; V40-D42 VanDerWaalsContact O-N 3.15Å; D42-Q44 PolarHBondContact O-N 3.47Å
43	A	49.7	Very low	52.8	Low	14 Å²	14	98.6 Å²	98.6	12%	0.116	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-94.4	7.8	-168.1	0	0	0	0	0	114.3	V40 Q45 C46 F49	V40-A43 HydrophobicContact CG1-CB 4.13Å; V40-A43 PolarHBondContact O-N 3Å; V40-A43 VanDerWaalsContact O-N 3.08Å; A43-Q45 PolarHBondContact O-N 2.83Å; A43-C46 HydrophobicContact CB-CB 4.16Å; A43-C46 WeakPolarHBondContact O-CB 3.5Å; A43-C46 PolarHBondContact O-N 2.77Å; A43-F49 HydrophobicContact CB-CE2 3.73Å; A43-F49 HydrophobicContact CB-CZ 4.43Å
44	Q	47.4	Very low	52.6	Low	190 Å²	190	94 Å²	94	89%	0.888	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-63.5	-16.4	166.6	-79.8	-168.6	-13.6	0	0	113.1	D42	D42-Q44 PolarHBondContact O-N 3.47Å
45	Q	47.7	Very low	52.2	Low	190 Å²	190	92.1 Å²	92.1	89%	0.888	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-92.3	-0.3	171.5	-61.9	-174	10.8	0	0	113.2	A43	A43-Q45 PolarHBondContact O-N 2.83Å
46	C	48.4	Very low	52.2	Low	62 Å²	62	92.6 Å²	92.6	42%	0.419	48%	0.481	S	S	.	.			trans	-97.2	114	-176.1	-141.2	0	0	0	0	110.3	A43 L48	A43-C46 HydrophobicContact CB-CB 4.16Å; A43-C46 WeakPolarHBondContact O-CB 3.5Å; A43-C46 PolarHBondContact O-N 2.77Å; C46-L48 HydrophobicContact CB-CB 4.36Å; C46-L48 PolarHBondContact O-N 2.92Å
47	E	54.9	Low	52.3	Low	92 Å²	92	93.9 Å²	93.9	43%	0.43	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-58.3	-4.8	173.3	-65.3	-171.5	167.1	0	0	113.8	L8 L19 F49 H50	L8-E47 VanDerWaalsContact CD1-OE2 3.26Å; L8-E47 WeakPolarHBondContact CD1-OE2 3.36Å; L8-E47 WeakPolarHBondContact CD2-OE1 3.37Å; L19-E47 HydrophobicContact CD2-CB 4.5Å; E47-F49 PolarHBondContact O-N 3.49Å; E47-F49 VanDerWaalsContact O-N 3.1Å; E47-H50 PolarHBondContact O-N 3.36Å
48	L	52.7	Low	52.7	Low	36 Å²	36	90.6 Å²	90.6	19%	0.188	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-54.7	-27.1	177.3	-127.4	90.6	0	0	0	113.4	V26 C46 L54	V26-L48 HydrophobicContact CG1-CD2 4.14Å; V26-L48 HydrophobicContact CG2-CD1 4.3Å; V26-L48 HydrophobicContact CG2-CD2 4.41Å; C46-L48 HydrophobicContact CB-CB 4.36Å; C46-L48 PolarHBondContact O-N 2.92Å; L48-L54 WeakPolarHBondContact O-CD1 3.42Å
49	F	50.4	Low	53.1	Low	75 Å²	75	90.2 Å²	90.2	33%	0.329	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-87.8	-2.3	-176.9	-66.1	-73.6	0	0	0	115.2	V40 A43 E47 V58 W60	V40-F49 HydrophobicContact CG1-CE2 4.13Å; V40-F49 HydrophobicContact CG1-CZ 4.05Å; V40-F49 HydrophobicContact CG2-CZ 3.89Å; A43-F49 HydrophobicContact CB-CE2 3.73Å; A43-F49 HydrophobicContact CB-CZ 4.43Å; E47-F49 PolarHBondContact O-N 3.49Å; E47-F49 VanDerWaalsContact O-N 3.1Å; F49-V58 HydrophobicContact CE1-CG1 4.45Å; F49-W60 HydrophobicContact CD1-CH2 4.19Å; F49-W60 HydrophobicContact CD1-CZ2 4.13Å; F49-W60 HydrophobicContact CE1-CH2 4.03Å; F49-W60 HydrophobicContact CE1-CZ2 4.26Å
50	H	45.9	Very low	53.7	Low	173 Å²	173	89.9 Å²	89.9	80%	0.801	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-89.7	-1.8	179.3	-157.9	76.5	0	0	0	113.6	E47	E47-H50 PolarHBondContact O-N 3.36Å
51	N	49.3	Very low	54	Low	49 Å²	49	93.5 Å²	93.5	26%	0.262	47%	0.471	S	S	.	.			trans	-93.9	106	179.2	-154.3	-19.7	0	0	0	111.1	K53 L54	N51-K53 PolarHBondContact O-N 2.81Å; N51-L54 HydrophobicContact CB-CD1 4.28Å; N51-L54 HydrophobicContact CB-CG 4.45Å; N51-L54 PolarHBondContact O-N 3.2Å
52	V	54	Low	54.6	Low	122 Å²	122	90 Å²	90	74%	0.739	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-52.6	-25.6	179.4	-176.1	0	0	0	0	112.3	L54 N55	V52-L54 VanDerWaalsContact C-N 3.3Å; V52-L54 PolarHBondContact O-N 2.98Å; V52-N55 VanDerWaalsContact O-CB 3.3Å; V52-N55 WeakPolarHBondContact O-CB 3.47Å; V52-N55 PolarHBondContact O-N 3.34Å
53	K	54.5	Low	55.3	Low	154 Å²	154	92.6 Å²	92.6	67%	0.67	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-68.3	-24.6	175.7	-65.5	-170	-178.9	-179.7	0	114.2	N51 N55	N51-K53 PolarHBondContact O-N 2.81Å; K53-N55 VanDerWaalsContact C-N 3.35Å
54	L	54.9	Low	56	Low	27 Å²	27	99.7 Å²	99.7	14%	0.141	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-84.8	-11.9	176.1	-66.4	173.3	0	0	0	112.3	A23 L48 N51 V52 S56 R57 V58	A23-L54 HydrophobicContact CB-CD1 4.35Å; L48-L54 WeakPolarHBondContact O-CD1 3.42Å; N51-L54 HydrophobicContact CB-CD1 4.28Å; N51-L54 HydrophobicContact CB-CG 4.45Å; N51-L54 PolarHBondContact O-N 3.2Å; V52-L54 VanDerWaalsContact C-N 3.3Å; V52-L54 PolarHBondContact O-N 2.98Å; L54-S56 PolarHBondContact O-N 3.44Å; L54-S56 VanDerWaalsContact O-N 3.16Å; L54-R57 PolarHBondContact O-N 2.91Å; L54-V58 WeakPolarHBondContact O-CG2 3.45Å; L54-V58 PolarHBondContact O-N 2.84Å
55	N	54.6	Low	56.6	Low	112 Å²	112	98.8 Å²	98.8	60%	0.599	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.5	-176.4	-138.5	13.7	0	0	0	113	V52 K53 R57	V52-N55 VanDerWaalsContact O-CB 3.3Å; V52-N55 WeakPolarHBondContact O-CB 3.47Å; V52-N55 PolarHBondContact O-N 3.34Å; K53-N55 VanDerWaalsContact C-N 3.35Å; N55-R57 VanDerWaalsContact C-N 3.32Å
56	S	57.7	Low	57.3	Low	75 Å²	75	90.7 Å²	90.7	52%	0.524	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10	172.9	62.6	0	0	0	0	114	L54	L54-S56 PolarHBondContact O-N 3.44Å; L54-S56 VanDerWaalsContact O-N 3.16Å
57	R	58.3	Low	57.8	Low	61 Å²	61	94 Å²	94	23%	0.23	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-3.5	-175.1	-71.2	-174.6	-174.5	-153.1	-6.3	112.7	L54 N55 I70 Y71 W72 E77	L54-R57 PolarHBondContact O-N 2.91Å; N55-R57 VanDerWaalsContact C-N 3.32Å; R57-I70 CarbonylContact O-C 3.59Å; R57-I70 WeakPolarHBondContact O-CA 3.27Å; R57-Y71 VanDerWaalsContact CB-O 3.3Å; R57-Y71 WeakPolarHBondContact CB-O 3.14Å; R57-Y71 PolarHBondContact O-N 3.01Å; R57-W72 PolarHBondContact NH1-O 3Å; R57-E77 IonicContact NH2-OE2 3.9Å
58	V	61.7	Low	58.1	Low	17 Å²	17	89.7 Å²	89.7	10%	0.103	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.7	-177.3	-177.8	0	0	0	0	109.7	F49 L54 C68 R69 I70	F49-V58 HydrophobicContact CE1-CG1 4.45Å; L54-V58 WeakPolarHBondContact O-CG2 3.45Å; L54-V58 PolarHBondContact O-N 2.84Å; V58-C68 HydrophobicContact CG1-CB 3.43Å; V58-C68 VanDerWaalsContact CG1-CB 3.43Å; V58-C68 VanDerWaalsContact CG1-SG 3.54Å; V58-R69 CarbonylContact C-O 3.53Å; V58-R69 WeakPolarHBondContact CA-O 3.28Å; V58-I70 HydrophobicContact CG2-CB 4.47Å; V58-I70 HydrophobicContact CG2-CG1 3.99Å; V58-I70 HydrophobicContact CG2-CG2 4.28Å
59	I	63.8	Low	58.5	Low	68 Å²	68	89.2 Å²	89.2	35%	0.349	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.3	171.9	-55.1	-178.2	0	0	0	108.2	M61 C68 R69 Y71 P75	I59-M61 PolarHBondContact O-N 3.23Å; I59-C68 WeakPolarHBondContact O-CA 3.47Å; I59-R69 PolarHBondContact N-O 3.15Å; I59-R69 PolarHBondContact O-N 3.49Å; I59-Y71 HydrophobicContact CB-CE2 3.84Å; I59-Y71 HydrophobicContact CD1-CD2 4.07Å; I59-Y71 HydrophobicContact CD1-CE2 3.37Å; I59-Y71 HydrophobicContact CG1-CD2 4.01Å; I59-Y71 HydrophobicContact CG1-CE2 3.5Å; I59-P75 HydrophobicContact CD1-CG 4.33Å
60	W	65.3	Low	58.9	Low	83 Å²	83	87 Å²	87	31%	0.314	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.7	172.5	-63	97.7	0	0	0	109.3	V40 F49 R65 C68	V40-W60 HydrophobicContact CG1-CH2 4.28Å; V40-W60 HydrophobicContact CG1-CZ3 4.08Å; V40-W60 HydrophobicContact CG2-CZ3 4.47Å; F49-W60 HydrophobicContact CD1-CH2 4.19Å; F49-W60 HydrophobicContact CD1-CZ2 4.13Å; F49-W60 HydrophobicContact CE1-CH2 4.03Å; F49-W60 HydrophobicContact CE1-CZ2 4.26Å; W60-R65 HydrophobicContact CD2-CB 4.16Å; W60-R65 HydrophobicContact CD2-CG 4Å; W60-R65 HydrophobicContact CE3-CB 3.56Å; W60-R65 HydrophobicContact CE3-CG 3.91Å; W60-R65 HydrophobicContact CG-CG 4.44Å; W60-R65 HydrophobicContact CH2-CB 4.21Å; W60-R65 HydrophobicContact CZ3-CB 3.59Å; W60-R65 HydrophobicContact CZ3-CG 4.29Å; W60-R65 WeakPolarHBondContact CZ3-O 3.46Å; W60-C68 HydrophobicContact CD2-CB 4.1Å; W60-C68 HydrophobicContact CE3-CB 3.61Å; W60-C68 HydrophobicContact CH2-CB 4.3Å; W60-C68 HydrophobicContact CZ3-CB 3.72Å
61	M	62.2	Low	59.5	Low	85 Å²	85	80.4 Å²	80.4	42%	0.419	38%	0.379	S	S	.	.			trans	-88.2	-8.9	179.1	-66.4	-156	-60.4	0	0	113.3	I59 R67 R69	I59-M61 PolarHBondContact O-N 3.23Å; M61-R67 HydrophobicContact CB-CB 4.44Å; M61-R67 HydrophobicContact CE-CB 3.94Å; M61-R67 PolarHBondContact N-O 3.46Å; M61-R69 HydrophobicContact CE-CG 4.32Å; M61-R69 HydrophobicContact CG-CG 3.99Å; M61-R69 VanDerWaalsContact SD-CD 3.58Å; M61-R69 HydrophobicContact SD-CG 3.75Å; M61-R69 PolarHBondContact SD-NE 3.01Å
62	D	63.2	Low	60	Low	51 Å²	51	81 Å²	81	27%	0.273	38%	0.378	S	S	.	.	S	Bend	trans	-138.7	143.5	-172.9	-173	3	0	0	0	110.1	Q64 R65 S66	D62-Q64 PolarHBondContact O-N 3.26Å; D62-Q64 PolarHBondContact OD1-N 2.91Å; D62-Q64 VanDerWaalsContact OD1-N 3.1Å; D62-Q64 WeakPolarHBondContact OD2-CB 3.38Å; D62-R65 PolarHBondContact O-N 3.43Å; D62-S66 PolarHBondContact OD2-OG 2.87Å
63	K	63.9	Low	60.2	Low	209 Å²	209	77.4 Å²	77.4	91%	0.909	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.4	170.4	-68.2	-176.2	179.8	179.4	0	110.9	R65	K63-R65 PolarHBondContact O-N 3.22Å
64	Q	64.7	Low	60.6	Low	163 Å²	163	71 Å²	71	76%	0.762	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	0.4	177.4	-53.6	-164.6	-8.3	0	0	113.8	D62 S66	D62-Q64 PolarHBondContact O-N 3.26Å; D62-Q64 PolarHBondContact OD1-N 2.91Å; D62-Q64 VanDerWaalsContact OD1-N 3.1Å; D62-Q64 WeakPolarHBondContact OD2-CB 3.38Å; Q64-S66 PolarHBondContact O-N 3.49Å
65	R	61.4	Low	60.9	Low	170 Å²	170	73.2 Å²	73.2	64%	0.642	34%	0.343	S	S	*	.			trans	52.8	29.6	-178.5	-61	-176.7	-178	-175.9	0.3	113.2	W60 D62 K63	W60-R65 HydrophobicContact CD2-CB 4.16Å; W60-R65 HydrophobicContact CD2-CG 4Å; W60-R65 HydrophobicContact CE3-CB 3.56Å; W60-R65 HydrophobicContact CE3-CG 3.91Å; W60-R65 HydrophobicContact CG-CG 4.44Å; W60-R65 HydrophobicContact CH2-CB 4.21Å; W60-R65 HydrophobicContact CZ3-CB 3.59Å; W60-R65 HydrophobicContact CZ3-CG 4.29Å; W60-R65 WeakPolarHBondContact CZ3-O 3.46Å; D62-R65 PolarHBondContact O-N 3.43Å; K63-R65 PolarHBondContact O-N 3.22Å
66	S	61.9	Low	61.3	Low	21 Å²	21	70.8 Å²	70.8	15%	0.147	34%	0.339	C	S	.	.			trans	-76.8	-27.5	-180	63	0	0	0	0	112.7	V40 D62 Q64	V40-S66 PolarHBondContact N-O 3.01Å; D62-S66 PolarHBondContact OD2-OG 2.87Å; Q64-S66 PolarHBondContact O-N 3.49Å
67	R	58.9	Low	61.7	Low	131 Å²	131	69.5 Å²	69.5	49%	0.494	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.7	-176.6	-71.8	180	-87.4	-153.9	-3.6	109.6	M61	M61-R67 HydrophobicContact CB-CB 4.44Å; M61-R67 HydrophobicContact CE-CB 3.94Å; M61-R67 PolarHBondContact N-O 3.46Å
68	C	62	Low	62	Low	2 Å²	2	68.1 Å²	68.1	1%	0.014	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.9	171.7	88.1	0	0	0	0	109.6	V40 V58 I59 W60	V40-C68 HydrophobicContact CG2-CB 3.75Å; V40-C68 WeakPolarHBondContact CG2-SG 3.35Å; V58-C68 HydrophobicContact CG1-CB 3.43Å; V58-C68 VanDerWaalsContact CG1-CB 3.43Å; V58-C68 VanDerWaalsContact CG1-SG 3.54Å; I59-C68 WeakPolarHBondContact O-CA 3.47Å; W60-C68 HydrophobicContact CD2-CB 4.1Å; W60-C68 HydrophobicContact CE3-CB 3.61Å; W60-C68 HydrophobicContact CH2-CB 4.3Å; W60-C68 HydrophobicContact CZ3-CB 3.72Å
69	R	60.6	Low	62	Low	26 Å²	26	70 Å²	70	10%	0.098	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114.4	167.4	-74.9	-176.2	174.7	166.9	-0.9	107	Q37 V58 I59 M61 Y71 N132 Y134	Q37-R69 HydrophobicContact CG-CG 4.39Å; Q37-R69 VanDerWaalsContact NE2-NH2 3.19Å; V58-R69 CarbonylContact C-O 3.53Å; V58-R69 WeakPolarHBondContact CA-O 3.28Å; I59-R69 PolarHBondContact N-O 3.15Å; I59-R69 PolarHBondContact O-N 3.49Å; M61-R69 HydrophobicContact CE-CG 4.32Å; M61-R69 HydrophobicContact CG-CG 3.99Å; M61-R69 VanDerWaalsContact SD-CD 3.58Å; M61-R69 HydrophobicContact SD-CG 3.75Å; M61-R69 PolarHBondContact SD-NE 3.01Å; R69-Y71 HydrophobicContact CB-CD2 4.41Å; R69-Y71 HydrophobicContact CB-CE2 3.65Å; R69-Y71 WeakPolarHBondContact CD-OH 3.03Å; R69-N132 PolarHBondContact NE-OD1 3.08Å; R69-N132 PolarHBondContact NH1-O 2.9Å; R69-N132 PolarHBondContact NH2-O 3.33Å; R69-Y134 PolarHBondContact NH1-OH 3.34Å
70	I	59.2	Low	62.2	Low	28 Å²	28	73.2 Å²	73.2	14%	0.144	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	115	172.6	-51.3	-178.9	0	0	0	106.8	L38 R57 V58	L38-I70 HydrophobicContact CB-CD1 4.24Å; L38-I70 HydrophobicContact CD2-CD1 3.82Å; R57-I70 CarbonylContact O-C 3.59Å; R57-I70 WeakPolarHBondContact O-CA 3.27Å; V58-I70 HydrophobicContact CG2-CB 4.47Å; V58-I70 HydrophobicContact CG2-CG1 3.99Å; V58-I70 HydrophobicContact CG2-CG2 4.28Å
71	Y	58.6	Low	62.1	Low	35 Å²	35	71.9 Å²	71.9	14%	0.137	35%	0.349	C	S	.	.			trans	-94	129.3	172.2	-58	-90.9	0	0	0	108.8	R57 I59 R69 K73	R57-Y71 VanDerWaalsContact CB-O 3.3Å; R57-Y71 WeakPolarHBondContact CB-O 3.14Å; R57-Y71 PolarHBondContact O-N 3.01Å; I59-Y71 HydrophobicContact CB-CE2 3.84Å; I59-Y71 HydrophobicContact CD1-CD2 4.07Å; I59-Y71 HydrophobicContact CD1-CE2 3.37Å; I59-Y71 HydrophobicContact CG1-CD2 4.01Å; I59-Y71 HydrophobicContact CG1-CE2 3.5Å; R69-Y71 HydrophobicContact CB-CD2 4.41Å; R69-Y71 HydrophobicContact CB-CE2 3.65Å; R69-Y71 WeakPolarHBondContact CD-OH 3.03Å; Y71-K73 WeakPolarHBondContact CB-O 3.47Å; Y71-K73 PolarHBondContact O-N 3.2Å
72	W	59.7	Low	62.2	Low	60 Å²	60	70.3 Å²	70.3	23%	0.227	34%	0.342	C	S	.	.	S	Bend	trans	-66.7	-17	174.5	59.6	-87.3	0	0	0	112.4	L27 R57 W78 F124	L27-W72 HydrophobicContact CD2-CB 4.44Å; R57-W72 PolarHBondContact NH1-O 3Å; W72-W78 AromaticContact CE2-CZ2 3.58Å; W72-W78 HydrophobicContact CH2-CH2 4.33Å; W72-W78 HydrophobicContact CH2-CZ2 4.32Å; W72-W78 AromaticContact CZ2-CH2 3.44Å; W72-W78 HydrophobicContact CZ2-CH2 3.44Å; W72-W78 VanDerWaalsContact CZ2-CH2 3.44Å; W72-W78 AromaticContact CZ2-CZ2 3.29Å; W72-W78 HydrophobicContact CZ2-CZ2 3.29Å; W72-W78 HydrophobicContact CZ2-CZ3 4.35Å; W72-W78 AromaticContact NE1-CZ2 3.64Å; W72-F124 HydrophobicContact CZ2-CD1 4.36Å; W72-F124 AromaticContact CZ2-CE1 3.64Å; W72-F124 HydrophobicContact CZ2-CE1 3.64Å; W72-F124 HydrophobicContact CZ2-CZ 4.47Å; W72-F124 AromaticContact NE1-CE1 3.85Å
73	K	58	Low	62.1	Low	47 Å²	47	76 Å²	76	20%	0.204	36%	0.36	C	S	.	.	S	Bend	trans	-128.2	141.7	171.3	-86.9	-176.2	176.5	-72.2	0	111.3	Y71 E77 W78 L81	Y71-K73 WeakPolarHBondContact CB-O 3.47Å; Y71-K73 PolarHBondContact O-N 3.2Å; K73-E77 HydrophobicContact CB-CB 4.01Å; K73-E77 HydrophobicContact CD-CB 4.13Å; K73-E77 HydrophobicContact CG-CB 4.08Å; K73-E77 IonicContact NZ-OE1 2.73Å; K73-E77 PolarHBondContact NZ-OE1 2.76Å; K73-W78 HydrophobicContact CB-CG 4.38Å; K73-L81 HydrophobicContact CD-CD1 3.59Å
74	S	62.3	Low	62.2	Low	20 Å²	20	70.4 Å²	70.4	14%	0.14	34%	0.341	C	S	.	.			trans	-62.3	153.6	171.4	64.8	0	0	0	0	110.9	A76 E77 W78	S74-A76 PolarHBondContact O-N 2.95Å; S74-A76 VanDerWaalsContact O-N 3.13Å; S74-E77 PolarHBondContact N-OE2 3.28Å; S74-E77 PolarHBondContact O-N 2.79Å; S74-E77 WeakPolarHBondContact OG-CG 3.23Å; S74-E77 PolarHBondContact OG-N 2.81Å; S74-E77 VanDerWaalsContact OG-N 3.15Å; S74-E77 PolarHBondContact OG-OE2 3.02Å; S74-W78 PolarHBondContact O-N 2.87Å
75	P	61.4	Low	62.1	Low	74 Å²	74	63.9 Å²	63.9	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-54.1	-30.1	172.4	-26.5	34.7	0	0	0	113.1	I59 W78 A79	I59-P75 HydrophobicContact CD1-CG 4.33Å; P75-W78 PolarHBondContact O-N 3.48Å; P75-A79 WeakPolarHBondContact O-CB 3.34Å; P75-A79 PolarHBondContact O-N 2.82Å
76	A	62.9	Low	61.9	Low	61 Å²	61	58.6 Å²	58.6	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-66.7	-46.7	174.2	0	0	0	0	0	112.2	S74 W78 A79 E80	S74-A76 PolarHBondContact O-N 2.95Å; S74-A76 VanDerWaalsContact O-N 3.13Å; A76-W78 VanDerWaalsContact C-N 3.26Å; A76-W78 PolarHBondContact O-N 3.49Å; A76-A79 WeakPolarHBondContact O-CB 3.31Å; A76-A79 PolarHBondContact O-N 2.68Å; A76-A79 VanDerWaalsContact O-N 3.15Å; A76-E80 PolarHBondContact O-N 3.19Å
77	E	66	Low	61.8	Low	48 Å²	48	59.8 Å²	59.8	22%	0.224	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-35.2	174.4	-74	174.9	89.5	0	0	112	R57 K73 S74 L81	R57-E77 IonicContact NH2-OE2 3.9Å; K73-E77 HydrophobicContact CB-CB 4.01Å; K73-E77 HydrophobicContact CD-CB 4.13Å; K73-E77 HydrophobicContact CG-CB 4.08Å; K73-E77 IonicContact NZ-OE1 2.73Å; K73-E77 PolarHBondContact NZ-OE1 2.76Å; S74-E77 PolarHBondContact N-OE2 3.28Å; S74-E77 PolarHBondContact O-N 2.79Å; S74-E77 WeakPolarHBondContact OG-CG 3.23Å; S74-E77 PolarHBondContact OG-N 2.81Å; S74-E77 VanDerWaalsContact OG-N 3.15Å; S74-E77 PolarHBondContact OG-OE2 3.02Å; E77-L81 WeakPolarHBondContact O-CG 3.44Å; E77-L81 PolarHBondContact O-N 3.22Å
78	W	64.6	Low	61.8	Low	32 Å²	32	54.5 Å²	54.5	12%	0.121	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-44.5	172.8	-81.7	111.6	0	0	0	112.1	W72 K73 S74 P75 A76 E80 L81 I82 F124 V125	W72-W78 AromaticContact CE2-CZ2 3.58Å; W72-W78 HydrophobicContact CH2-CH2 4.33Å; W72-W78 HydrophobicContact CH2-CZ2 4.32Å; W72-W78 AromaticContact CZ2-CH2 3.44Å; W72-W78 HydrophobicContact CZ2-CH2 3.44Å; W72-W78 VanDerWaalsContact CZ2-CH2 3.44Å; W72-W78 AromaticContact CZ2-CZ2 3.29Å; W72-W78 HydrophobicContact CZ2-CZ2 3.29Å; W72-W78 HydrophobicContact CZ2-CZ3 4.35Å; W72-W78 AromaticContact NE1-CZ2 3.64Å; K73-W78 HydrophobicContact CB-CG 4.38Å; S74-W78 PolarHBondContact O-N 2.87Å; P75-W78 PolarHBondContact O-N 3.48Å; A76-W78 VanDerWaalsContact C-N 3.26Å; A76-W78 PolarHBondContact O-N 3.49Å; W78-E80 VanDerWaalsContact C-N 3.31Å; W78-E80 PolarHBondContact O-N 2.81Å; W78-L81 HydrophobicContact CE3-CD1 4.38Å; W78-L81 PolarHBondContact O-N 2.74Å; W78-I82 VanDerWaalsContact O-CG1 3.3Å; W78-I82 WeakPolarHBondContact O-CG1 3.35Å; W78-I82 PolarHBondContact O-N 3.37Å; W78-F124 AromaticContact CH2-CD1 3.7Å; W78-F124 HydrophobicContact CH2-CD1 3.7Å; W78-F124 AromaticContact CH2-CE1 3.73Å; W78-F124 HydrophobicContact CH2-CE1 3.73Å; W78-F124 HydrophobicContact CZ2-CE1 4.21Å; W78-V125 HydrophobicContact CE3-CG2 4Å; W78-V125 HydrophobicContact CH2-CG2 4.38Å; W78-V125 HydrophobicContact CZ3-CG2 3.47Å; W78-V125 VanDerWaalsContact CZ3-CG2 3.47Å
79	A	62.3	Low	61.5	Low	57 Å²	57	55.8 Å²	55.8	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-41.1	175.9	0	0	0	0	0	111.4	P75 A76 I82 Y83	P75-A79 WeakPolarHBondContact O-CB 3.34Å; P75-A79 PolarHBondContact O-N 2.82Å; A76-A79 WeakPolarHBondContact O-CB 3.31Å; A76-A79 PolarHBondContact O-N 2.68Å; A76-A79 VanDerWaalsContact O-N 3.15Å; A79-I82 PolarHBondContact O-N 2.93Å; A79-Y83 WeakPolarHBondContact O-CB 3.46Å; A79-Y83 PolarHBondContact O-N 3.09Å
80	E	66.6	Low	60.9	Low	134 Å²	134	57.8 Å²	57.8	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-62.3	-43.3	173.4	-77	-178.2	-179.8	0	0	112	A76 W78 I82 Y83 D84	A76-E80 PolarHBondContact O-N 3.19Å; W78-E80 VanDerWaalsContact C-N 3.31Å; W78-E80 PolarHBondContact O-N 2.81Å; E80-I82 PolarHBondContact O-N 3.4Å; E80-Y83 PolarHBondContact O-N 2.88Å; E80-D84 VanDerWaalsContact O-CB 3.22Å; E80-D84 WeakPolarHBondContact O-CB 3.32Å; E80-D84 PolarHBondContact O-N 3.16Å
81	L	64.2	Low	60.5	Low	55 Å²	55	62.5 Å²	62.5	29%	0.288	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-40	176.4	-77.4	172.6	0	0	0	112.4	K73 E77 W78 Y83 W85	K73-L81 HydrophobicContact CD-CD1 3.59Å; E77-L81 WeakPolarHBondContact O-CG 3.44Å; E77-L81 PolarHBondContact O-N 3.22Å; W78-L81 HydrophobicContact CE3-CD1 4.38Å; W78-L81 PolarHBondContact O-N 2.74Å; L81-Y83 VanDerWaalsContact C-N 3.34Å; L81-W85 WeakPolarHBondContact O-CB 3.05Å; L81-W85 PolarHBondContact O-N 2.88Å
82	I	63.1	Low	59.9	Low	52 Å²	52	65.3 Å²	65.3	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-42.5	174.9	-66.9	165.4	0	0	0	109.3	W78 A79 E80 W85 V86	W78-I82 VanDerWaalsContact O-CG1 3.3Å; W78-I82 WeakPolarHBondContact O-CG1 3.35Å; W78-I82 PolarHBondContact O-N 3.37Å; A79-I82 PolarHBondContact O-N 2.93Å; E80-I82 PolarHBondContact O-N 3.4Å; I82-W85 PolarHBondContact O-N 3.07Å; I82-V86 HydrophobicContact CG2-CG2 4.32Å; I82-V86 WeakPolarHBondContact O-CB 3.41Å; I82-V86 VanDerWaalsContact O-CG2 3.27Å; I82-V86 WeakPolarHBondContact O-CG2 3.41Å; I82-V86 PolarHBondContact O-N 3.23Å
83	Y	62.3	Low	59.2	Low	170 Å²	170	63.9 Å²	63.9	67%	0.667	35%	0.351	S	S	*	.	H	α-helix	trans	-65.4	-45.6	179.1	-174.5	-92.1	0	0	0	112.1	A79 E80 L81 W85 V86 T87	A79-Y83 WeakPolarHBondContact O-CB 3.46Å; A79-Y83 PolarHBondContact O-N 3.09Å; E80-Y83 PolarHBondContact O-N 2.88Å; L81-Y83 VanDerWaalsContact C-N 3.34Å; Y83-W85 VanDerWaalsContact C-N 3.31Å; Y83-V86 PolarHBondContact O-N 2.78Å; Y83-T87 WeakPolarHBondContact O-CB 3.4Å; Y83-T87 PolarHBondContact O-N 2.73Å; Y83-T87 PolarHBondContact O-OG1 3.4Å
84	D	65.2	Low	58.6	Low	93 Å²	93	73 Å²	73	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-64.6	-36.7	174.9	-173.8	57.6	0	0	0	110.9	E80 G88	E80-D84 VanDerWaalsContact O-CB 3.22Å; E80-D84 WeakPolarHBondContact O-CB 3.32Å; E80-D84 PolarHBondContact O-N 3.16Å; D84-G88 WeakPolarHBondContact O-CA 3.36Å; D84-G88 PolarHBondContact O-N 3.34Å
85	W	62.2	Low	57.9	Low	26 Å²	26	76.7 Å²	76.7	10%	0.098	42%	0.416	C	S	.	.	H	α-helix	trans	-68.5	-46.3	173.3	174.4	76	0	0	0	112.6	L81 I82 Y83 T87 G88 L89 I110 L122	L81-W85 WeakPolarHBondContact O-CB 3.05Å; L81-W85 PolarHBondContact O-N 2.88Å; I82-W85 PolarHBondContact O-N 3.07Å; Y83-W85 VanDerWaalsContact C-N 3.31Å; W85-T87 VanDerWaalsContact C-N 3.28Å; W85-T87 PolarHBondContact O-N 3.18Å; W85-G88 PolarHBondContact O-N 3.05Å; W85-L89 HydrophobicContact CD2-CD1 4.05Å; W85-L89 HydrophobicContact CD2-CG 4.36Å; W85-L89 VanDerWaalsContact CE2-CD1 3.43Å; W85-L89 HydrophobicContact CE3-CD1 4.18Å; W85-L89 HydrophobicContact CH2-CD1 3.13Å; W85-L89 HydrophobicContact CH2-CG 4.28Å; W85-L89 HydrophobicContact CZ2-CD1 2.94Å; W85-L89 HydrophobicContact CZ2-CD2 4.32Å; W85-L89 HydrophobicContact CZ2-CG 3.67Å; W85-L89 HydrophobicContact CZ3-CD1 3.77Å; W85-L89 VanDerWaalsContact O-CB 3.31Å; W85-L89 WeakPolarHBondContact O-CB 3.22Å; W85-L89 PolarHBondContact O-N 3Å; W85-I110 HydrophobicContact CE3-CG2 4.49Å; W85-I110 HydrophobicContact CH2-CG2 4Å; W85-I110 HydrophobicContact CZ3-CG2 3.59Å; W85-L122 HydrophobicContact CD2-CD1 4.05Å; W85-L122 HydrophobicContact CD2-CD2 3.68Å; W85-L122 HydrophobicContact CD2-CG 3.88Å; W85-L122 HydrophobicContact CE3-CD1 4.32Å; W85-L122 HydrophobicContact CE3-CD2 3.71Å; W85-L122 HydrophobicContact CE3-CG 4.3Å; W85-L122 HydrophobicContact CG-CD2 4.3Å; W85-L122 HydrophobicContact CG-CG 4.45Å; W85-L122 HydrophobicContact CH2-CD1 3.27Å; W85-L122 HydrophobicContact CH2-CD2 4.13Å; W85-L122 HydrophobicContact CH2-CG 4.12Å; W85-L122 HydrophobicContact CZ2-CD1 2.87Å; W85-L122 HydrophobicContact CZ2-CD2 4.09Å; W85-L122 HydrophobicContact CZ2-CG 3.66Å; W85-L122 HydrophobicContact CZ3-CD1 3.99Å; W85-L122 HydrophobicContact CZ3-CD2 3.94Å; W85-L122 HydrophobicContact CZ3-CG 4.42Å
86	V	58.4	Low	57.1	Low	58 Å²	58	75.6 Å²	75.6	35%	0.352	41%	0.41	S	S	.	.	H	α-helix	trans	-61.7	-41.2	175.7	171.2	0	0	0	0	110	I82 Y83 M90	I82-V86 HydrophobicContact CG2-CG2 4.32Å; I82-V86 WeakPolarHBondContact O-CB 3.41Å; I82-V86 VanDerWaalsContact O-CG2 3.27Å; I82-V86 WeakPolarHBondContact O-CG2 3.41Å; I82-V86 PolarHBondContact O-N 3.23Å; Y83-V86 PolarHBondContact O-N 2.78Å; V86-M90 WeakPolarHBondContact O-CB 3.3Å; V86-M90 PolarHBondContact O-N 3.38Å
87	T	60.1	Low	56.2	Low	46 Å²	46	84.9 Å²	84.9	28%	0.282	43%	0.432	S	S	.	.	H	α-helix	trans	-70.3	-39.4	177.6	-57.3	0	0	0	0	111.6	Y83 W85 M90 I91	Y83-T87 WeakPolarHBondContact O-CB 3.4Å; Y83-T87 PolarHBondContact O-N 2.73Å; Y83-T87 PolarHBondContact O-OG1 3.4Å; W85-T87 VanDerWaalsContact C-N 3.28Å; W85-T87 PolarHBondContact O-N 3.18Å; T87-M90 CarbonylContact O-C 3.57Å; T87-M90 WeakPolarHBondContact O-CA 3.45Å; T87-M90 WeakPolarHBondContact O-CB 3.13Å; T87-M90 PolarHBondContact O-N 3.49Å; T87-M90 VanDerWaalsContact O-N 3.1Å; T87-I91 WeakPolarHBondContact O-CG1 3.28Å; T87-I91 PolarHBondContact O-N 3.45Å
88	G	59	Low	55.4	Low	21 Å²	21	86.6 Å²	86.6	22%	0.216	44%	0.442	C	S	.	.	H	α-helix	trans	-66.6	-46.8	176.6	0	0	0	0	0	111.4	D84 W85 M90 I91 C92	D84-G88 WeakPolarHBondContact O-CA 3.36Å; D84-G88 PolarHBondContact O-N 3.34Å; W85-G88 PolarHBondContact O-N 3.05Å; G88-M90 PolarHBondContact O-N 3.06Å; G88-I91 CarbonylContact O-C 3.59Å; G88-I91 WeakPolarHBondContact O-CA 3.49Å; G88-I91 WeakPolarHBondContact O-CB 3.24Å; G88-I91 PolarHBondContact O-N 2.91Å; G88-C92 PolarHBondContact O-N 3.06Å; G88-C92 PolarHBondContact O-SG 3.02Å
89	L	55.1	Low	54.5	Low	28 Å²	28	87.2 Å²	87.2	15%	0.147	46%	0.459	C	S	.	.	H	α-helix	trans	-52.5	-41.3	166.9	-94	-177.3	0	0	0	110.7	W85 I91 C92 N93	W85-L89 HydrophobicContact CD2-CD1 4.05Å; W85-L89 HydrophobicContact CD2-CG 4.36Å; W85-L89 VanDerWaalsContact CE2-CD1 3.43Å; W85-L89 HydrophobicContact CE3-CD1 4.18Å; W85-L89 HydrophobicContact CH2-CD1 3.13Å; W85-L89 HydrophobicContact CH2-CG 4.28Å; W85-L89 HydrophobicContact CZ2-CD1 2.94Å; W85-L89 HydrophobicContact CZ2-CD2 4.32Å; W85-L89 HydrophobicContact CZ2-CG 3.67Å; W85-L89 HydrophobicContact CZ3-CD1 3.77Å; W85-L89 VanDerWaalsContact O-CB 3.31Å; W85-L89 WeakPolarHBondContact O-CB 3.22Å; W85-L89 PolarHBondContact O-N 3Å; L89-I91 PolarHBondContact O-N 2.91Å; L89-C92 PolarHBondContact O-N 3.11Å; L89-N93 WeakPolarHBondContact O-CA 3.28Å; L89-N93 WeakPolarHBondContact O-CB 3.3Å; L89-N93 PolarHBondContact O-N 3.04Å
90	M	48.3	Very low	53.9	Low	69 Å²	69	87.8 Å²	87.8	34%	0.34	45%	0.45	S	S	.	.	H	α-helix	trans	-63.6	-30	177.9	-150.8	-159.6	159.7	0	0	113.2	V86 T87 G88 R101	V86-M90 WeakPolarHBondContact O-CB 3.3Å; V86-M90 PolarHBondContact O-N 3.38Å; T87-M90 CarbonylContact O-C 3.57Å; T87-M90 WeakPolarHBondContact O-CA 3.45Å; T87-M90 WeakPolarHBondContact O-CB 3.13Å; T87-M90 PolarHBondContact O-N 3.49Å; T87-M90 VanDerWaalsContact O-N 3.1Å; G88-M90 PolarHBondContact O-N 3.06Å; M90-R101 HydrophobicContact CE-CB 3.95Å; M90-R101 HydrophobicContact CE-CG 3.34Å; M90-R101 HydrophobicContact SD-CG 3.59Å; M90-R101 VanDerWaalsContact SD-CG 3.59Å; M90-R101 PolarHBondContact SD-NE 3.21Å
91	I	49.3	Very low	52.7	Low	127 Å²	127	91 Å²	91	65%	0.651	46%	0.457	S	S	*	.	H	α-helix	trans	-79.6	-41.7	175.7	-64.3	165.1	0	0	0	110.6	T87 G88 L89	T87-I91 WeakPolarHBondContact O-CG1 3.28Å; T87-I91 PolarHBondContact O-N 3.45Å; G88-I91 CarbonylContact O-C 3.59Å; G88-I91 WeakPolarHBondContact O-CA 3.49Å; G88-I91 WeakPolarHBondContact O-CB 3.24Å; G88-I91 PolarHBondContact O-N 2.91Å; L89-I91 PolarHBondContact O-N 2.91Å
92	C	47.5	Very low	52	Low	94 Å²	94	92.5 Å²	92.5	64%	0.635	49%	0.486	S	S	*	.	H	α-helix	trans	-72.1	-36.2	179.1	-53.8	0	0	0	0	112.8	G88 L89 R94	G88-C92 PolarHBondContact O-N 3.06Å; G88-C92 PolarHBondContact O-SG 3.02Å; L89-C92 PolarHBondContact O-N 3.11Å; C92-R94 VanDerWaalsContact C-N 3.29Å; C92-R94 PolarHBondContact O-N 3.16Å
93	N	45	Very low	51.4	Low	29 Å²	29	94.1 Å²	94.1	16%	0.155	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-83.7	13.7	177.4	-92.2	-30.1	0	0	0	113.7	L89 A95 S96	L89-N93 WeakPolarHBondContact O-CA 3.28Å; L89-N93 WeakPolarHBondContact O-CB 3.3Å; L89-N93 PolarHBondContact O-N 3.04Å; N93-A95 PolarHBondContact O-N 3.13Å; N93-S96 CarbonylContact O-C 3.48Å; N93-S96 PolarHBondContact O-N 2.92Å; N93-S96 WeakPolarHBondContact OD1-CB 3.14Å
94	R	44.4	Very low	51	Low	238 Å²	238	92.6 Å²	92.6	90%	0.898	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-56.1	-22.7	162.2	-174.2	176.3	-81.9	-162.8	-2.9	111.5	C92	C92-R94 VanDerWaalsContact C-N 3.29Å; C92-R94 PolarHBondContact O-N 3.16Å
95	A	47.1	Very low	50.3	Low	99 Å²	99	89.9 Å²	89.9	82%	0.818	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-85.8	-19.7	174.5	0	0	0	0	0	115.4	N93	N93-A95 PolarHBondContact O-N 3.13Å
96	S	46.1	Very low	50	Low	51 Å²	51	92 Å²	92	36%	0.357	51%	0.51	S	S	.	.	S	Bend	trans	-118	124.8	178.8	-157	0	0	0	0	109.3	N93 I98	N93-S96 CarbonylContact O-C 3.48Å; N93-S96 PolarHBondContact O-N 2.92Å; N93-S96 WeakPolarHBondContact OD1-CB 3.14Å; S96-I98 PolarHBondContact O-N 2.87Å
97	R	43.1	Very low	49.6	Very low	255 Å²	255	92.3 Å²	92.3	96%	0.962	51%	0.509	S	S	*	.	S	Bend	trans	-64.9	18.3	-166.4	-64.7	-179.8	173.3	-168.5	-2.4	116.3
98	I	49.9	Very low	49.2	Very low	84 Å²	84	97.2 Å²	97.2	43%	0.431	52%	0.524	S	S	.	.			trans	-103.7	72.5	179.1	-44.9	176.4	0	0	0	107.9	S96 F100	S96-I98 PolarHBondContact O-N 2.87Å; I98-F100 HydrophobicContact CG2-CD2 4.33Å; I98-F100 HydrophobicContact CG2-CE1 4.14Å; I98-F100 HydrophobicContact CG2-CE2 3.9Å; I98-F100 HydrophobicContact CG2-CZ 3.82Å; I98-F100 PolarHBondContact O-N 3.41Å
99	G	44.8	Very low	49	Very low	46 Å²	46	100.9 Å²	100.9	47%	0.474	54%	0.535	S	S	.	.			trans	-72	103.9	167.9	0	0	0	0	0	108.9	R101	G99-R101 PolarHBondContact O-N 3.26Å
100	F	50.6	Low	49	Very low	68 Å²	68	101.6 Å²	101.6	30%	0.298	54%	0.538	S	S	.	.			trans	-66	11.6	174.7	-74.5	-72.3	0	0	0	114.4	I98 G102 C105	I98-F100 HydrophobicContact CG2-CD2 4.33Å; I98-F100 HydrophobicContact CG2-CE1 4.14Å; I98-F100 HydrophobicContact CG2-CE2 3.9Å; I98-F100 HydrophobicContact CG2-CZ 3.82Å; I98-F100 PolarHBondContact O-N 3.41Å; F100-G102 PolarHBondContact O-N 2.98Å; F100-G102 VanDerWaalsContact O-N 3.13Å; F100-C105 WeakPolarHBondContact CD1-SG 3.34Å; F100-C105 WeakPolarHBondContact CE1-SG 3.26Å
101	R	40.9	Very low	49.2	Very low	203 Å²	203	98.8 Å²	98.8	77%	0.766	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	103.5	173	-97.3	-164.6	-164.6	-163.9	3.8	110.1	M90 G99	M90-R101 HydrophobicContact CE-CB 3.95Å; M90-R101 HydrophobicContact CE-CG 3.34Å; M90-R101 HydrophobicContact SD-CG 3.59Å; M90-R101 VanDerWaalsContact SD-CG 3.59Å; M90-R101 PolarHBondContact SD-NE 3.21Å; G99-R101 PolarHBondContact O-N 3.26Å
102	G	49.4	Very low	49.5	Very low	86 Å²	86	97.2 Å²	97.2	89%	0.887	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	3.8	175	0	0	0	0	0	114.6	F100	F100-G102 PolarHBondContact O-N 2.98Å; F100-G102 VanDerWaalsContact O-N 3.13Å
103	T	51.6	Low	50.1	Low	86 Å²	86	93.4 Å²	93.4	53%	0.528	49%	0.492	S	S	.	.			trans	-96.6	127.5	174.7	-37.8	0	0	0	0	109.3	C105	T103-C105 PolarHBondContact O-N 3.05Å
104	V	53.3	Low	50.7	Low	137 Å²	137	97.8 Å²	97.8	83%	0.83	52%	0.521	S	S	*	.			trans	-69.9	110.9	167.7	177.2	0	0	0	0	106.8
105	C	50.3	Low	51.3	Low	36 Å²	36	89.1 Å²	89.1	24%	0.243	49%	0.493	C	S	.	.			trans	-101.4	134.7	170	-66.4	0	0	0	0	109.6	F100 T103 E109 I110	F100-C105 WeakPolarHBondContact CD1-SG 3.34Å; F100-C105 WeakPolarHBondContact CE1-SG 3.26Å; T103-C105 PolarHBondContact O-N 3.05Å; C105-E109 WeakPolarHBondContact CA-OE2 3.27Å; C105-I110 HydrophobicContact CB-CD1 4.08Å; C105-I110 HydrophobicContact CB-CG1 4.07Å
106	T	55	Low	51.5	Low	72 Å²	72	84.9 Å²	84.9	44%	0.442	46%	0.457	S	S	.	.			trans	-72.8	151.8	170.1	63.1	0	0	0	0	109.9	Y108 E109 I110	T106-Y108 PolarHBondContact O-N 3.13Å; T106-Y108 VanDerWaalsContact O-N 3.13Å; T106-E109 WeakPolarHBondContact CB-OE2 3.46Å; T106-E109 PolarHBondContact N-OE2 2.9Å; T106-E109 PolarHBondContact O-N 2.86Å; T106-E109 VanDerWaalsContact OG1-CG 3.28Å; T106-E109 WeakPolarHBondContact OG1-CG 3.3Å; T106-E109 PolarHBondContact OG1-N 3.24Å; T106-E109 PolarHBondContact OG1-OE2 2.8Å; T106-I110 PolarHBondContact O-N 3.37Å
107	L	51.1	Low	51.8	Low	64 Å²	64	87.3 Å²	87.3	34%	0.335	48%	0.481	S	S	.	.	H	α-helix	trans	-56.7	-29.3	174	-177.5	58.5	0	0	0	111.5	I110 T111 F129 L135	L107-I110 PolarHBondContact O-N 2.91Å; L107-T111 HydrophobicContact CD1-CG2 4.17Å; L107-T111 WeakPolarHBondContact O-CB 3.2Å; L107-T111 VanDerWaalsContact O-CG2 3.28Å; L107-T111 WeakPolarHBondContact O-CG2 3.47Å; L107-T111 PolarHBondContact O-N 2.86Å; L107-T111 VanDerWaalsContact O-N 3.16Å; L107-T111 PolarHBondContact O-OG1 2.79Å; L107-F129 HydrophobicContact CD2-CD1 4.18Å; L107-L135 HydrophobicContact CB-CD2 4.23Å; L107-L135 HydrophobicContact CD2-CD1 3.92Å; L107-L135 HydrophobicContact CD2-CD2 3.6Å; L107-L135 HydrophobicContact CD2-CG 3.71Å; L107-L135 HydrophobicContact CG-CD1 4.1Å; L107-L135 HydrophobicContact CG-CD2 4Å; L107-L135 HydrophobicContact CG-CG 4.32Å
108	Y	51.2	Low	52.3	Low	149 Å²	149	78.5 Å²	78.5	58%	0.584	47%	0.469	S	S	*	.	H	α-helix	trans	-64.2	-46.3	174.1	-173.9	-95.4	0	0	0	112.6	T106 I110 T111 H112	T106-Y108 PolarHBondContact O-N 3.13Å; T106-Y108 VanDerWaalsContact O-N 3.13Å; Y108-I110 VanDerWaalsContact C-N 3.29Å; Y108-I110 PolarHBondContact O-N 3.49Å; Y108-T111 WeakPolarHBondContact CA-OG1 3.35Å; Y108-T111 PolarHBondContact O-N 3.23Å; Y108-T111 VanDerWaalsContact O-N 3.11Å; Y108-T111 PolarHBondContact O-OG1 2.91Å; Y108-T111 VanDerWaalsContact O-OG1 3.09Å; Y108-H112 HydrophobicContact CD1-CB 4.47Å; Y108-H112 AromaticContact CD2-ND1 3.6Å; Y108-H112 HydrophobicContact CE1-CB 4.11Å; Y108-H112 HydrophobicContact CE2-CB 4.19Å; Y108-H112 AromaticContact CE2-CG 3.77Å; Y108-H112 AromaticContact CE2-ND1 3.67Å; Y108-H112 WeakPolarHBondContact O-CB 3.46Å; Y108-H112 PolarHBondContact O-N 3.15Å; Y108-H112 PolarHBondContact O-ND1 3.37Å
109	E	55.9	Low	52.5	Low	98 Å²	98	78 Å²	78	46%	0.458	47%	0.465	S	S	.	.	H	α-helix	trans	-64.1	-34.9	178	-71.9	162.3	133.9	0	0	112.2	C105 T106 T111 G113	C105-E109 WeakPolarHBondContact CA-OE2 3.27Å; T106-E109 WeakPolarHBondContact CB-OE2 3.46Å; T106-E109 PolarHBondContact N-OE2 2.9Å; T106-E109 PolarHBondContact O-N 2.86Å; T106-E109 VanDerWaalsContact OG1-CG 3.28Å; T106-E109 WeakPolarHBondContact OG1-CG 3.3Å; T106-E109 PolarHBondContact OG1-N 3.24Å; T106-E109 PolarHBondContact OG1-OE2 2.8Å; E109-T111 VanDerWaalsContact C-N 3.28Å; E109-T111 PolarHBondContact O-N 2.95Å; E109-G113 WeakPolarHBondContact O-CA 3.48Å; E109-G113 PolarHBondContact O-N 3.44Å
110	I	54.3	Low	52.9	Low	42 Å²	42	86.2 Å²	86.2	22%	0.215	48%	0.482	C	S	.	.	H	α-helix	trans	-72.7	-22.1	176.6	-65.8	160.4	0	0	0	112.2	W85 C105 T106 L107 Y108 C116 L122	W85-I110 HydrophobicContact CE3-CG2 4.49Å; W85-I110 HydrophobicContact CH2-CG2 4Å; W85-I110 HydrophobicContact CZ3-CG2 3.59Å; C105-I110 HydrophobicContact CB-CD1 4.08Å; C105-I110 HydrophobicContact CB-CG1 4.07Å; T106-I110 PolarHBondContact O-N 3.37Å; L107-I110 PolarHBondContact O-N 2.91Å; Y108-I110 VanDerWaalsContact C-N 3.29Å; Y108-I110 PolarHBondContact O-N 3.49Å; I110-C116 PolarHBondContact O-SG 3.19Å; I110-L122 HydrophobicContact CG2-CD2 4.23Å; I110-L122 WeakPolarHBondContact O-CD1 3.44Å
111	T	52	Low	53	Low	10 Å²	10	90.2 Å²	90.2	6%	0.061	50%	0.495	C	S	.	.	H	α-helix	trans	-105.7	-25.1	-174.8	49.6	0	0	0	0	113.9	L107 Y108 E109	L107-T111 HydrophobicContact CD1-CG2 4.17Å; L107-T111 WeakPolarHBondContact O-CB 3.2Å; L107-T111 VanDerWaalsContact O-CG2 3.28Å; L107-T111 WeakPolarHBondContact O-CG2 3.47Å; L107-T111 PolarHBondContact O-N 2.86Å; L107-T111 VanDerWaalsContact O-N 3.16Å; L107-T111 PolarHBondContact O-OG1 2.79Å; Y108-T111 WeakPolarHBondContact CA-OG1 3.35Å; Y108-T111 PolarHBondContact O-N 3.23Å; Y108-T111 VanDerWaalsContact O-N 3.11Å; Y108-T111 PolarHBondContact O-OG1 2.91Å; Y108-T111 VanDerWaalsContact O-OG1 3.09Å; E109-T111 VanDerWaalsContact C-N 3.28Å; E109-T111 PolarHBondContact O-N 2.95Å
112	H	56.1	Low	53.5	Low	95 Å²	95	80.8 Å²	80.8	44%	0.44	46%	0.459	S	S	.	.	H	α-helix	trans	-127.1	-0.5	-175.7	-59.4	80.8	0	0	0	112.9	Y108	Y108-H112 HydrophobicContact CD1-CB 4.47Å; Y108-H112 AromaticContact CD2-ND1 3.6Å; Y108-H112 HydrophobicContact CE1-CB 4.11Å; Y108-H112 HydrophobicContact CE2-CB 4.19Å; Y108-H112 AromaticContact CE2-CG 3.77Å; Y108-H112 AromaticContact CE2-ND1 3.67Å; Y108-H112 WeakPolarHBondContact O-CB 3.46Å; Y108-H112 PolarHBondContact O-N 3.15Å; Y108-H112 PolarHBondContact O-ND1 3.37Å
113	G	60.4	Low	53.6	Low	14 Å²	14	80.3 Å²	80.3	14%	0.144	44%	0.439	C	S	.	.	S	Bend	trans	-63.9	154.9	179.9	0	0	0	0	0	112.6	E109 D115 C116	E109-G113 WeakPolarHBondContact O-CA 3.48Å; E109-G113 PolarHBondContact O-N 3.44Å; G113-D115 PolarHBondContact O-N 3.24Å; G113-C116 VanDerWaalsContact O-CB 3.24Å; G113-C116 WeakPolarHBondContact O-CB 3.44Å; G113-C116 PolarHBondContact O-N 2.74Å; G113-C116 PolarHBondContact O-SG 3.02Å; G113-C116 VanDerWaalsContact O-SG 3.34Å
114	P	57.9	Low	53.7	Low	120 Å²	120	78.8 Å²	78.8	78%	0.779	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-58.9	-23	-178.8	24.7	-33.9	0	0	0	113.1	C116	P114-C116 VanDerWaalsContact C-N 3.26Å; P114-C116 PolarHBondContact O-N 3.15Å
115	D	56.4	Low	53.8	Low	56 Å²	56	72.8 Å²	72.8	30%	0.299	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-74.9	-10.6	176.3	-59.5	-45	0	0	0	113.8	G113	G113-D115 PolarHBondContact O-N 3.24Å
116	C	52.2	Low	53.8	Low	10 Å²	10	71.7 Å²	71.7	7%	0.068	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-82	-14.5	-177.3	-58.2	0	0	0	0	113.7	I110 G113 P114 G118 E119 L122	I110-C116 PolarHBondContact O-SG 3.19Å; G113-C116 VanDerWaalsContact O-CB 3.24Å; G113-C116 WeakPolarHBondContact O-CB 3.44Å; G113-C116 PolarHBondContact O-N 2.74Å; G113-C116 PolarHBondContact O-SG 3.02Å; G113-C116 VanDerWaalsContact O-SG 3.34Å; P114-C116 VanDerWaalsContact C-N 3.26Å; P114-C116 PolarHBondContact O-N 3.15Å; C116-G118 PolarHBondContact O-N 2.75Å; C116-E119 PolarHBondContact O-N 3.38Å; C116-L122 HydrophobicContact CB-CD1 4.24Å
117	A	51.3	Low	53.9	Low	103 Å²	103	71 Å²	71	85%	0.851	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-64.3	-16.9	-169.9	0	0	0	0	0	114.3
118	G	53.7	Low	54.1	Low	70 Å²	70	69.4 Å²	69.4	72%	0.722	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-99.1	-19.5	178.4	0	0	0	0	0	115.6	C116	C116-G118 PolarHBondContact O-N 2.75Å
119	E	54.3	Low	54.2	Low	72 Å²	72	65.5 Å²	65.5	34%	0.336	36%	0.362	S	S	.	.			trans	-106.7	99.2	-166	-162.4	75.5	-140.5	0	0	112.4	C116 R121 L122	C116-E119 PolarHBondContact O-N 3.38Å; E119-R121 HydrophobicContact CG-CB 4.05Å; E119-R121 PolarHBondContact O-N 3.06Å; E119-L122 PolarHBondContact O-N 2.86Å
120	R	52.2	Low	54	Low	220 Å²	220	67.3 Å²	67.3	83%	0.83	37%	0.37	S	S	*	.	H	α-helix	trans	-58.1	-20.6	176.1	-70.4	-165.7	-69.4	-115.7	0.5	114	T123 F124	R120-T123 WeakPolarHBondContact CA-OG1 3.33Å; R120-T123 PolarHBondContact O-OG1 3.18Å; R120-F124 PolarHBondContact O-N 2.93Å
121	R	53.1	Low	54	Low	151 Å²	151	68.3 Å²	68.3	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-68.5	-40	178.4	-66.2	-179.6	-176.6	-175.6	4.1	112	E119 V125	E119-R121 HydrophobicContact CG-CB 4.05Å; E119-R121 PolarHBondContact O-N 3.06Å; R121-V125 WeakPolarHBondContact O-CG2 2.97Å; R121-V125 PolarHBondContact O-N 2.76Å
122	L	51	Low	53.8	Low	5 Å²	5	68.4 Å²	68.4	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-77.1	-36.8	-179.7	-74.7	-174.9	0	0	0	114.3	W85 I110 C116 E119 F124 V125 S126	W85-L122 HydrophobicContact CD2-CD1 4.05Å; W85-L122 HydrophobicContact CD2-CD2 3.68Å; W85-L122 HydrophobicContact CD2-CG 3.88Å; W85-L122 HydrophobicContact CE3-CD1 4.32Å; W85-L122 HydrophobicContact CE3-CD2 3.71Å; W85-L122 HydrophobicContact CE3-CG 4.3Å; W85-L122 HydrophobicContact CG-CD2 4.3Å; W85-L122 HydrophobicContact CG-CG 4.45Å; W85-L122 HydrophobicContact CH2-CD1 3.27Å; W85-L122 HydrophobicContact CH2-CD2 4.13Å; W85-L122 HydrophobicContact CH2-CG 4.12Å; W85-L122 HydrophobicContact CZ2-CD1 2.87Å; W85-L122 HydrophobicContact CZ2-CD2 4.09Å; W85-L122 HydrophobicContact CZ2-CG 3.66Å; W85-L122 HydrophobicContact CZ3-CD1 3.99Å; W85-L122 HydrophobicContact CZ3-CD2 3.94Å; W85-L122 HydrophobicContact CZ3-CG 4.42Å; I110-L122 HydrophobicContact CG2-CD2 4.23Å; I110-L122 WeakPolarHBondContact O-CD1 3.44Å; C116-L122 HydrophobicContact CB-CD1 4.24Å; E119-L122 PolarHBondContact O-N 2.86Å; L122-F124 PolarHBondContact O-N 2.98Å; L122-V125 CarbonylContact O-C 3.57Å; L122-V125 WeakPolarHBondContact O-CA 3.48Å; L122-V125 WeakPolarHBondContact O-CB 3.45Å; L122-V125 PolarHBondContact O-N 3.3Å; L122-S126 PolarHBondContact O-N 3.25Å
123	T	53.2	Low	53.4	Low	76 Å²	76	66.8 Å²	66.8	47%	0.466	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-34.4	175.1	51.2	0	0	0	0	110.4	R120 A127	R120-T123 WeakPolarHBondContact CA-OG1 3.33Å; R120-T123 PolarHBondContact O-OG1 3.18Å; T123-A127 WeakPolarHBondContact O-CB 3.22Å; T123-A127 PolarHBondContact O-N 2.69Å
124	F	52.9	Low	52.7	Low	54 Å²	54	72.2 Å²	72.2	24%	0.237	41%	0.411	C	S	.	.	H	α-helix	trans	-68.9	-39.4	171.6	-168.4	-97.9	0	0	0	112.6	K34 W72 W78 R120 L122 N128	K34-F124 HydrophobicContact CD-CE2 4.29Å; K34-F124 HydrophobicContact CG-CE2 4.22Å; W72-F124 HydrophobicContact CZ2-CD1 4.36Å; W72-F124 AromaticContact CZ2-CE1 3.64Å; W72-F124 HydrophobicContact CZ2-CE1 3.64Å; W72-F124 HydrophobicContact CZ2-CZ 4.47Å; W72-F124 AromaticContact NE1-CE1 3.85Å; W78-F124 AromaticContact CH2-CD1 3.7Å; W78-F124 HydrophobicContact CH2-CD1 3.7Å; W78-F124 AromaticContact CH2-CE1 3.73Å; W78-F124 HydrophobicContact CH2-CE1 3.73Å; W78-F124 HydrophobicContact CZ2-CE1 4.21Å; R120-F124 PolarHBondContact O-N 2.93Å; L122-F124 PolarHBondContact O-N 2.98Å; F124-N128 VanDerWaalsContact CD1-ND2 3.27Å; F124-N128 WeakPolarHBondContact CD1-ND2 3.11Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.39Å; F124-N128 VanDerWaalsContact CZ-ND2 3.28Å; F124-N128 WeakPolarHBondContact CZ-ND2 3.19Å; F124-N128 WeakPolarHBondContact O-CB 3.21Å; F124-N128 PolarHBondContact O-N 3.1Å; F124-N128 PolarHBondContact O-ND2 3.33Å
125	V	54.6	Low	51.8	Low	11 Å²	11	72.6 Å²	72.6	7%	0.067	41%	0.406	C	S	.	.	H	α-helix	trans	-62	-53.1	172.8	176.7	0	0	0	0	110.6	W78 R121 L122 A127 N128 F129	W78-V125 HydrophobicContact CE3-CG2 4Å; W78-V125 HydrophobicContact CH2-CG2 4.38Å; W78-V125 HydrophobicContact CZ3-CG2 3.47Å; W78-V125 VanDerWaalsContact CZ3-CG2 3.47Å; R121-V125 WeakPolarHBondContact O-CG2 2.97Å; R121-V125 PolarHBondContact O-N 2.76Å; L122-V125 CarbonylContact O-C 3.57Å; L122-V125 WeakPolarHBondContact O-CA 3.48Å; L122-V125 WeakPolarHBondContact O-CB 3.45Å; L122-V125 PolarHBondContact O-N 3.3Å; V125-A127 PolarHBondContact O-N 2.68Å; V125-N128 CarbonylContact O-C 3.57Å; V125-N128 PolarHBondContact O-N 3.39Å; V125-N128 VanDerWaalsContact O-N 3.07Å; V125-F129 HydrophobicContact CG1-CD2 3.59Å; V125-F129 HydrophobicContact CG1-CE2 3.68Å; V125-F129 VanDerWaalsContact O-CD2 3.32Å; V125-F129 WeakPolarHBondContact O-CD2 3.31Å; V125-F129 PolarHBondContact O-N 3.49Å
126	S	51.2	Low	51.6	Low	14 Å²	14	73.5 Å²	73.5	10%	0.098	41%	0.411	C	S	.	.	H	α-helix	trans	-54.8	-49.8	178.3	-178.3	0	0	0	0	111.8	L122 N128 F129 H130	L122-S126 PolarHBondContact O-N 3.25Å; S126-N128 VanDerWaalsContact C-N 3.29Å; S126-N128 PolarHBondContact O-N 2.79Å; S126-F129 PolarHBondContact O-N 3.25Å; S126-H130 WeakPolarHBondContact O-CB 3.39Å; S126-H130 PolarHBondContact O-N 3.43Å
127	A	57.6	Low	51.6	Low	58 Å²	58	76.8 Å²	76.8	48%	0.479	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-37.9	177.4	0	0	0	0	0	112.3	T123 V125 A131	T123-A127 WeakPolarHBondContact O-CB 3.22Å; T123-A127 PolarHBondContact O-N 2.69Å; V125-A127 PolarHBondContact O-N 2.68Å; A127-A131 WeakPolarHBondContact O-CB 3.19Å; A127-A131 PolarHBondContact O-N 2.81Å
128	N	54.3	Low	51.6	Low	30 Å²	30	75.3 Å²	75.3	16%	0.16	41%	0.406	C	S	.	.	H	α-helix	trans	-70.6	-41.5	175.1	-84.2	-77.3	0	0	0	112.2	F124 V125 S126 N132	F124-N128 VanDerWaalsContact CD1-ND2 3.27Å; F124-N128 WeakPolarHBondContact CD1-ND2 3.11Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.39Å; F124-N128 VanDerWaalsContact CZ-ND2 3.28Å; F124-N128 WeakPolarHBondContact CZ-ND2 3.19Å; F124-N128 WeakPolarHBondContact O-CB 3.21Å; F124-N128 PolarHBondContact O-N 3.1Å; F124-N128 PolarHBondContact O-ND2 3.33Å; V125-N128 CarbonylContact O-C 3.57Å; V125-N128 PolarHBondContact O-N 3.39Å; V125-N128 VanDerWaalsContact O-N 3.07Å; S126-N128 VanDerWaalsContact C-N 3.29Å; S126-N128 PolarHBondContact O-N 2.79Å; N128-N132 WeakPolarHBondContact O-CB 3.4Å; N128-N132 VanDerWaalsContact O-CG 3.28Å; N128-N132 PolarHBondContact O-N 3.33Å; N128-N132 PolarHBondContact O-ND2 2.74Å
129	F	52.8	Low	51.5	Low	66 Å²	66	75.6 Å²	75.6	29%	0.289	39%	0.387	S	S	.	.	H	α-helix	trans	-68.3	-40.7	179.5	-88.2	-104.2	0	0	0	111.8	L107 V125 S126 N132 G133 Y134 L135	L107-F129 HydrophobicContact CD2-CD1 4.18Å; V125-F129 HydrophobicContact CG1-CD2 3.59Å; V125-F129 HydrophobicContact CG1-CE2 3.68Å; V125-F129 VanDerWaalsContact O-CD2 3.32Å; V125-F129 WeakPolarHBondContact O-CD2 3.31Å; V125-F129 PolarHBondContact O-N 3.49Å; S126-F129 PolarHBondContact O-N 3.25Å; F129-N132 PolarHBondContact O-N 3.13Å; F129-G133 PolarHBondContact O-N 3.04Å; F129-G133 VanDerWaalsContact O-N 3.12Å; F129-Y134 HydrophobicContact CD1-CG 4.47Å; F129-Y134 PolarHBondContact O-N 3.32Å; F129-L135 HydrophobicContact CB-CD1 4.35Å
130	H	53.2	Low	51.3	Low	136 Å²	136	75.9 Å²	75.9	63%	0.63	39%	0.391	S	S	*	.	H	α-helix	trans	-65.1	-46.5	174.5	-156.8	144.2	0	0	0	111	S126 N132 G133	S126-H130 WeakPolarHBondContact O-CB 3.39Å; S126-H130 PolarHBondContact O-N 3.43Å; H130-N132 PolarHBondContact O-N 3.04Å; H130-G133 PolarHBondContact O-N 2.73Å
131	A	53.1	Low	51.2	Low	63 Å²	63	66.3 Å²	66.3	52%	0.521	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-19.8	176.3	0	0	0	0	0	113.6	A127	A127-A131 WeakPolarHBondContact O-CB 3.19Å; A127-A131 PolarHBondContact O-N 2.81Å
132	N	48.3	Very low	51.1	Low	12 Å²	12	60.2 Å²	60.2	6%	0.064	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	1	-178	-74.7	-58.9	0	0	0	114.5	Q37 R69 N128 F129 H130 Y134	Q37-N132 PolarHBondContact NE2-OD1 3.47Å; R69-N132 PolarHBondContact NE-OD1 3.08Å; R69-N132 PolarHBondContact NH1-O 2.9Å; R69-N132 PolarHBondContact NH2-O 3.33Å; N128-N132 WeakPolarHBondContact O-CB 3.4Å; N128-N132 VanDerWaalsContact O-CG 3.28Å; N128-N132 PolarHBondContact O-N 3.33Å; N128-N132 PolarHBondContact O-ND2 2.74Å; F129-N132 PolarHBondContact O-N 3.13Å; H130-N132 PolarHBondContact O-N 3.04Å; N132-Y134 HydrophobicContact CB-CD2 3.56Å; N132-Y134 HydrophobicContact CB-CE2 3.7Å
133	G	47.4	Very low	51.1	Low	62 Å²	62	64.5 Å²	64.5	64%	0.639	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	29.9	174.2	0	0	0	0	0	114.4	F129 H130	F129-G133 PolarHBondContact O-N 3.04Å; F129-G133 VanDerWaalsContact O-N 3.12Å; H130-G133 PolarHBondContact O-N 2.73Å
134	Y	46	Very low	50.9	Low	127 Å²	127	63.5 Å²	63.5	50%	0.498	36%	0.363	S	S	.	.			trans	-95.9	4.2	178	-70.3	-71.9	0	0	0	113.4	R69 F129 N132	R69-Y134 PolarHBondContact NH1-OH 3.34Å; F129-Y134 HydrophobicContact CD1-CG 4.47Å; F129-Y134 PolarHBondContact O-N 3.32Å; N132-Y134 HydrophobicContact CB-CD2 3.56Å; N132-Y134 HydrophobicContact CB-CE2 3.7Å
135	L	39.6	Very low	50.7	Low	129 Å²	129	64.4 Å²	64.4	68%	0.675	38%	0.375	S	S	*	.			trans	-132.7	0	173.9	-84.2	170.4	0	0	0	109.5	L107 F129	L107-L135 HydrophobicContact CB-CD2 4.23Å; L107-L135 HydrophobicContact CD2-CD1 3.92Å; L107-L135 HydrophobicContact CD2-CD2 3.6Å; L107-L135 HydrophobicContact CD2-CG 3.71Å; L107-L135 HydrophobicContact CG-CD1 4.1Å; L107-L135 HydrophobicContact CG-CD2 4Å; L107-L135 HydrophobicContact CG-CG 4.32Å; F129-L135 HydrophobicContact CB-CD1 4.35Å

Retrieved 135 of 135 residues in 224.4 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).