A0A5K4F5U1_SCHMA Loading...

Methyltransf_25 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5U1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.6	Very low	28.1	Very low	244 Å²	244	136.1 Å²	136.1	100%	1.202	81%	0.81	S	S	*	*				0	126.9	0	-82.1	175.1	169.4	0	0	107.2	G3	M1-G3 PolarHBondContact O-N 3.05Å
2	T	30.6	Very low	28.5	Very low	145 Å²	145	130.2 Å²	130.2	89%	0.89	78%	0.78	S	S	*	*			trans	-50.6	110.1	179.6	40.4	0	0	0	0	111.8
3	G	24.9	Very low	29.2	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	77%	0.772	S	S	*	*			trans	-88	106.2	159.5	0	0	0	0	0	107.7	M1 V5	M1-G3 PolarHBondContact O-N 3.05Å; G3-V5 PolarHBondContact O-N 3.42Å; G3-V5 VanDerWaalsContact O-N 3.14Å
4	T	25.3	Very low	29.9	Very low	134 Å²	134	131.4 Å²	131.4	82%	0.822	77%	0.767	S	S	*	*			trans	-56.3	109.9	167.7	11.3	0	0	0	0	108.5	E6	T4-E6 PolarHBondContact O-N 2.89Å
5	V	27.7	Very low	30.9	Very low	131 Å²	131	125.5 Å²	125.5	79%	0.794	74%	0.737	S	S	*	*			trans	-78.8	103.1	168.7	178	0	0	0	0	106.4	G3 T7	G3-V5 PolarHBondContact O-N 3.42Å; G3-V5 VanDerWaalsContact O-N 3.14Å; V5-T7 PolarHBondContact O-N 3.02Å
6	E	23	Very low	31.7	Very low	180 Å²	180	121.6 Å²	121.6	84%	0.841	71%	0.714	S	S	*	*			trans	-61.5	98.9	169.6	-70.4	177.7	156.4	0	0	108.7	T4 G8	T4-E6 PolarHBondContact O-N 2.89Å; E6-G8 PolarHBondContact O-N 3.28Å
7	T	27.9	Very low	32.3	Very low	142 Å²	142	119.5 Å²	119.5	87%	0.871	70%	0.696	S	S	*	*			trans	-68.3	85.9	161.8	50.8	0	0	0	0	107.6	V5	V5-T7 PolarHBondContact O-N 3.02Å
8	G	24.1	Very low	33.4	Very low	57 Å²	57	116.3 Å²	116.3	59%	0.588	69%	0.686	S	S	*	*			trans	-172	36.5	-172.4	0	0	0	0	0	114.5	E6 N10	E6-G8 PolarHBondContact O-N 3.28Å; G8-N10 PolarHBondContact O-N 3.22Å
9	S	33.2	Very low	34.6	Very low	103 Å²	103	116.9 Å²	116.9	72%	0.72	68%	0.675	S	S	*	*			trans	-75.3	81.4	158.6	60.9	0	0	0	0	107.8	E11	S9-E11 PolarHBondContact O-N 2.99Å
10	N	29	Very low	35.3	Very low	162 Å²	162	113.5 Å²	113.5	87%	0.866	65%	0.65	S	S	*	*			trans	-64.2	68.2	155.5	-81.7	-20.5	0	0	0	107.3	G8 S12	G8-N10 PolarHBondContact O-N 3.22Å; N10-S12 PolarHBondContact O-N 3.39Å; N10-S12 VanDerWaalsContact O-N 3.16Å
11	E	33.7	Very low	36.1	Very low	131 Å²	131	113.5 Å²	113.5	61%	0.612	65%	0.645	S	S	*	*			trans	-63.8	113	160.6	-81.5	-171.1	179.9	0	0	105.5	S9 S15 V16	S9-E11 PolarHBondContact O-N 2.99Å; E11-S15 WeakPolarHBondContact CA-OG 3.42Å; E11-S15 VanDerWaalsContact CB-OG 3.29Å; E11-S15 WeakPolarHBondContact CB-OG 3.49Å; E11-V16 HydrophobicContact CB-CG2 4.35Å
12	S	33.2	Very low	37.5	Very low	65 Å²	65	105.2 Å²	105.2	46%	0.455	61%	0.611	S	S	.	*			trans	-61.9	150.7	175.6	55.9	0	0	0	0	108.7	N10 E14 S15	N10-S12 PolarHBondContact O-N 3.39Å; N10-S12 VanDerWaalsContact O-N 3.16Å; S12-E14 PolarHBondContact O-N 3.38Å; S12-S15 PolarHBondContact O-N 3.49Å; S12-S15 PolarHBondContact O-OG 2.81Å
13	D	37	Very low	38.8	Very low	125 Å²	125	101.7 Å²	101.7	67%	0.668	58%	0.584	S	S	*	*	H	α-helix	trans	-49.1	-28.6	175	-75.2	-24.8	0	0	0	112.3	E17	D13-E17 WeakPolarHBondContact O-CG 3.34Å; D13-E17 PolarHBondContact O-N 2.87Å; D13-E17 VanDerWaalsContact O-N 3.17Å
14	E	39.8	Very low	40.1	Very low	152 Å²	152	99.2 Å²	99.2	71%	0.71	55%	0.554	S	S	*	*	H	α-helix	trans	-67.6	-35.6	174.7	-67.7	-179.2	166.9	0	0	114.4	S12 E17 A18	S12-E14 PolarHBondContact O-N 3.38Å; E14-E17 PolarHBondContact O-N 3Å; E14-A18 WeakPolarHBondContact O-CB 3.32Å; E14-A18 PolarHBondContact O-N 3.49Å
15	S	43.8	Very low	41.7	Very low	44 Å²	44	98.9 Å²	98.9	31%	0.308	54%	0.541	S	S	.	.	H	α-helix	trans	-73.1	-37.5	-179.7	67.5	0	0	0	0	112	E11 S12 A18 W19	E11-S15 WeakPolarHBondContact CA-OG 3.42Å; E11-S15 VanDerWaalsContact CB-OG 3.29Å; E11-S15 WeakPolarHBondContact CB-OG 3.49Å; S12-S15 PolarHBondContact O-N 3.49Å; S12-S15 PolarHBondContact O-OG 2.81Å; S15-A18 PolarHBondContact O-N 2.92Å; S15-W19 WeakPolarHBondContact O-CB 3.49Å; S15-W19 PolarHBondContact O-N 3.16Å
16	V	43.7	Very low	43.1	Very low	62 Å²	62	98.4 Å²	98.4	38%	0.376	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-42.3	172.9	178.4	0	0	0	0	110.1	E11 W19 W20	E11-V16 HydrophobicContact CB-CG2 4.35Å; V16-W19 PolarHBondContact O-N 2.92Å; V16-W20 WeakPolarHBondContact O-CB 3.41Å; V16-W20 VanDerWaalsContact O-CD1 3.26Å; V16-W20 PolarHBondContact O-N 3.12Å
17	E	43.3	Very low	44.5	Very low	86 Å²	86	92.7 Å²	92.7	40%	0.402	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-46.4	175.1	-80.6	-178.1	179.3	0	0	113	D13 E14 W19 W20 E21 R48	D13-E17 WeakPolarHBondContact O-CG 3.34Å; D13-E17 PolarHBondContact O-N 2.87Å; D13-E17 VanDerWaalsContact O-N 3.17Å; E14-E17 PolarHBondContact O-N 3Å; E17-W19 VanDerWaalsContact C-N 3.32Å; E17-W19 PolarHBondContact O-N 3.43Å; E17-W20 PolarHBondContact O-N 2.89Å; E17-E21 PolarHBondContact O-N 3.42Å; E17-R48 IonicContact OE1-CZ 3.97Å; E17-R48 IonicContact OE1-NE 3.97Å; E17-R48 IonicContact OE1-NH1 2.8Å; E17-R48 PolarHBondContact OE1-NH1 3.13Å; E17-R48 IonicContact OE1-NH2 3.8Å; E17-R48 PolarHBondContact OE1-NH2 2.98Å
18	A	52.2	Low	45.6	Very low	63 Å²	63	89.4 Å²	89.4	52%	0.521	48%	0.479	S	S	.	.	H	α-helix	trans	-62.3	-40.5	178.8	0	0	0	0	0	111.9	E14 S15 S22	E14-A18 WeakPolarHBondContact O-CB 3.32Å; E14-A18 PolarHBondContact O-N 3.49Å; S15-A18 PolarHBondContact O-N 2.92Å; A18-S22 WeakPolarHBondContact O-CB 3.23Å; A18-S22 PolarHBondContact O-N 3.49Å; A18-S22 VanDerWaalsContact O-N 3.1Å
19	W	55.1	Low	47.3	Very low	127 Å²	127	90.6 Å²	90.6	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-62.5	-44.6	173.6	-177.5	89.3	0	0	0	111.5	S15 V16 E17 S22 F23 M221	S15-W19 WeakPolarHBondContact O-CB 3.49Å; S15-W19 PolarHBondContact O-N 3.16Å; V16-W19 PolarHBondContact O-N 2.92Å; E17-W19 VanDerWaalsContact C-N 3.32Å; E17-W19 PolarHBondContact O-N 3.43Å; W19-S22 WeakPolarHBondContact O-CB 3.31Å; W19-S22 PolarHBondContact O-N 3.31Å; W19-F23 HydrophobicContact CH2-CB 4.39Å; W19-F23 HydrophobicContact CH2-CD2 4.23Å; W19-F23 HydrophobicContact CH2-CG 4.27Å; W19-F23 HydrophobicContact CZ2-CD2 4.45Å; W19-F23 HydrophobicContact CZ3-CB 4.32Å; W19-F23 HydrophobicContact CZ3-CG 4.46Å; W19-F23 PolarHBondContact O-N 3.36Å; W19-M221 HydrophobicContact CH2-CE 4.25Å; W19-M221 HydrophobicContact CZ2-CE 4.17Å
20	W	48.2	Very low	48.5	Very low	48 Å²	48	89.8 Å²	89.8	18%	0.182	47%	0.472	C	S	.	.	H	α-helix	trans	-64.3	-44	178	-94.4	104.1	0	0	0	113.4	V16 E17 S22 F23 L24 F214	V16-W20 WeakPolarHBondContact O-CB 3.41Å; V16-W20 VanDerWaalsContact O-CD1 3.26Å; V16-W20 PolarHBondContact O-N 3.12Å; E17-W20 PolarHBondContact O-N 2.89Å; W20-S22 PolarHBondContact O-N 2.84Å; W20-F23 HydrophobicContact CE3-CD1 4.01Å; W20-F23 HydrophobicContact CH2-CD1 4.35Å; W20-F23 HydrophobicContact CH2-CE1 4.4Å; W20-F23 AromaticContact CZ3-CD1 3.64Å; W20-F23 HydrophobicContact CZ3-CD1 3.64Å; W20-F23 AromaticContact CZ3-CE1 3.95Å; W20-F23 HydrophobicContact CZ3-CE1 3.95Å; W20-F23 PolarHBondContact O-N 2.87Å; W20-L24 HydrophobicContact CE3-CD1 4.25Å; W20-L24 HydrophobicContact CE3-CG 4.13Å; W20-L24 WeakPolarHBondContact O-CB 3.28Å; W20-L24 WeakPolarHBondContact O-CG 3.33Å; W20-L24 PolarHBondContact O-N 3.46Å; W20-F214 HydrophobicContact CH2-CD2 4.07Å; W20-F214 HydrophobicContact CH2-CE2 4.07Å; W20-F214 AromaticContact CZ2-CD2 3.93Å; W20-F214 HydrophobicContact CZ2-CD2 3.93Å; W20-F214 AromaticContact CZ2-CE2 3.44Å; W20-F214 HydrophobicContact CZ2-CE2 3.44Å; W20-F214 VanDerWaalsContact CZ2-CE2 3.44Å
21	E	53.1	Low	49.6	Very low	114 Å²	114	89.7 Å²	89.7	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-57.5	-40.6	173.1	-85.6	-155.8	-179.3	0	0	111.2	E17 K25	E17-E21 PolarHBondContact O-N 3.42Å; E21-K25 VanDerWaalsContact O-CB 3.28Å; E21-K25 WeakPolarHBondContact O-CB 3.35Å; E21-K25 WeakPolarHBondContact O-CD 3.45Å; E21-K25 WeakPolarHBondContact O-CG 3.35Å; E21-K25 PolarHBondContact O-N 3.49Å; E21-K25 IonicContact OE2-NZ 2.65Å; E21-K25 PolarHBondContact OE2-NZ 3.46Å
22	S	58.5	Low	50.5	Low	71 Å²	71	89.8 Å²	89.8	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-66.2	-48.6	177.2	-169	0	0	0	0	111.9	A18 W19 W20 L24 K25 Q26	A18-S22 WeakPolarHBondContact O-CB 3.23Å; A18-S22 PolarHBondContact O-N 3.49Å; A18-S22 VanDerWaalsContact O-N 3.1Å; W19-S22 WeakPolarHBondContact O-CB 3.31Å; W19-S22 PolarHBondContact O-N 3.31Å; W20-S22 PolarHBondContact O-N 2.84Å; S22-L24 PolarHBondContact O-N 3.14Å; S22-K25 PolarHBondContact O-N 3.49Å; S22-Q26 WeakPolarHBondContact O-CB 3.45Å; S22-Q26 PolarHBondContact O-N 3.11Å
23	F	59	Low	51.2	Low	70 Å²	70	88.6 Å²	88.6	31%	0.307	46%	0.46	S	S	.	.	H	α-helix	trans	-59.4	-44.5	178.7	176.7	-98.1	0	0	0	112.3	W19 W20 Q26 K27	W19-F23 HydrophobicContact CH2-CB 4.39Å; W19-F23 HydrophobicContact CH2-CD2 4.23Å; W19-F23 HydrophobicContact CH2-CG 4.27Å; W19-F23 HydrophobicContact CZ2-CD2 4.45Å; W19-F23 HydrophobicContact CZ3-CB 4.32Å; W19-F23 HydrophobicContact CZ3-CG 4.46Å; W19-F23 PolarHBondContact O-N 3.36Å; W20-F23 HydrophobicContact CE3-CD1 4.01Å; W20-F23 HydrophobicContact CH2-CD1 4.35Å; W20-F23 HydrophobicContact CH2-CE1 4.4Å; W20-F23 AromaticContact CZ3-CD1 3.64Å; W20-F23 HydrophobicContact CZ3-CD1 3.64Å; W20-F23 AromaticContact CZ3-CE1 3.95Å; W20-F23 HydrophobicContact CZ3-CE1 3.95Å; W20-F23 PolarHBondContact O-N 2.87Å; F23-Q26 WeakPolarHBondContact O-CB 3.41Å; F23-Q26 PolarHBondContact O-N 3.47Å; F23-K27 HydrophobicContact CE1-CG 4.1Å; F23-K27 HydrophobicContact CE2-CG 4.31Å; F23-K27 HydrophobicContact CZ-CG 3.97Å; F23-K27 PolarHBondContact O-N 2.87Å
24	L	50.6	Low	52	Low	16 Å²	16	87 Å²	87	8%	0.084	45%	0.451	C	S	.	.	H	α-helix	trans	-69.1	-41	177.4	-72.2	170	0	0	0	112	W20 S22 Q26 K27 L28 L33 W41	W20-L24 HydrophobicContact CE3-CD1 4.25Å; W20-L24 HydrophobicContact CE3-CG 4.13Å; W20-L24 WeakPolarHBondContact O-CB 3.28Å; W20-L24 WeakPolarHBondContact O-CG 3.33Å; W20-L24 PolarHBondContact O-N 3.46Å; S22-L24 PolarHBondContact O-N 3.14Å; L24-Q26 PolarHBondContact O-N 3.34Å; L24-K27 PolarHBondContact O-N 2.94Å; L24-L28 VanDerWaalsContact O-CB 3.27Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 WeakPolarHBondContact O-CD1 3.39Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.45Å; L24-L33 HydrophobicContact CD2-CD1 4.44Å; L24-L33 HydrophobicContact CD2-CD2 4.12Å; L24-W41 HydrophobicContact CD1-CD2 3.64Å; L24-W41 HydrophobicContact CD1-CE3 4.24Å; L24-W41 HydrophobicContact CD1-CG 3.97Å; L24-W41 HydrophobicContact CD1-CH2 4.29Å; L24-W41 HydrophobicContact CD1-CZ2 3.71Å
25	K	59.2	Low	52.8	Low	127 Å²	127	85.6 Å²	85.6	55%	0.552	45%	0.453	S	S	*	.	H	α-helix	trans	-58.9	-38.8	173	-79.6	169.5	-172.5	155.8	0	111.3	E21 S22 A29	E21-K25 VanDerWaalsContact O-CB 3.28Å; E21-K25 WeakPolarHBondContact O-CB 3.35Å; E21-K25 WeakPolarHBondContact O-CD 3.45Å; E21-K25 WeakPolarHBondContact O-CG 3.35Å; E21-K25 PolarHBondContact O-N 3.49Å; E21-K25 IonicContact OE2-NZ 2.65Å; E21-K25 PolarHBondContact OE2-NZ 3.46Å; S22-K25 PolarHBondContact O-N 3.49Å; K25-A29 PolarHBondContact O-N 3.32Å; K25-A29 VanDerWaalsContact O-N 3.09Å
26	Q	57.3	Low	53	Low	121 Å²	121	90.4 Å²	90.4	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-66.9	-49.2	176.3	-168.5	173.9	3.9	0	0	111.5	S22 F23 L24 L28 A29 D30	S22-Q26 WeakPolarHBondContact O-CB 3.45Å; S22-Q26 PolarHBondContact O-N 3.11Å; F23-Q26 WeakPolarHBondContact O-CB 3.41Å; F23-Q26 PolarHBondContact O-N 3.47Å; L24-Q26 PolarHBondContact O-N 3.34Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.91Å; Q26-A29 WeakPolarHBondContact O-CB 3.46Å; Q26-A29 PolarHBondContact O-N 2.85Å; Q26-D30 PolarHBondContact O-N 3.09Å; Q26-D30 VanDerWaalsContact O-N 3.12Å
27	K	53.4	Low	53.3	Low	61 Å²	61	90.2 Å²	90.2	27%	0.265	47%	0.467	S	S	.	.	H	α-helix	trans	-66.3	-29	177.3	-73.9	-67.4	-178.9	-166.7	0	114.5	F23 L24 D30 E32 L33	F23-K27 HydrophobicContact CE1-CG 4.1Å; F23-K27 HydrophobicContact CE2-CG 4.31Å; F23-K27 HydrophobicContact CZ-CG 3.97Å; F23-K27 PolarHBondContact O-N 2.87Å; L24-K27 PolarHBondContact O-N 2.94Å; K27-D30 PolarHBondContact O-N 3.37Å; K27-E32 IonicContact NZ-OE2 3.85Å; K27-E32 PolarHBondContact NZ-OE2 2.89Å; K27-E32 PolarHBondContact O-N 3.38Å; K27-L33 HydrophobicContact CB-CD1 3.73Å; K27-L33 HydrophobicContact CG-CD1 4.41Å
28	L	49.9	Very low	53.6	Low	72 Å²	72	92.2 Å²	92.2	38%	0.377	47%	0.471	S	S	.	.	H	α-helix	trans	-68.3	-36.2	169.9	-82.4	160.9	0	0	0	112.1	L24 Q26 D30	L24-L28 VanDerWaalsContact O-CB 3.27Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 WeakPolarHBondContact O-CD1 3.39Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.45Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.91Å; L28-D30 VanDerWaalsContact C-N 3.26Å
29	A	59.4	Low	53.8	Low	82 Å²	82	92.1 Å²	92.1	68%	0.678	47%	0.466	S	S	*	.	H	α-helix	trans	-69.8	-26.9	175.5	0	0	0	0	0	112.3	K25 Q26 D31	K25-A29 PolarHBondContact O-N 3.32Å; K25-A29 VanDerWaalsContact O-N 3.09Å; Q26-A29 WeakPolarHBondContact O-CB 3.46Å; Q26-A29 PolarHBondContact O-N 2.85Å; A29-D31 VanDerWaalsContact C-N 3.31Å; A29-D31 PolarHBondContact O-N 2.9Å
30	D	59.4	Low	53.5	Low	87 Å²	87	86.8 Å²	86.8	47%	0.465	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.6	179.9	-64	-22.8	0	0	0	113.7	Q26 K27 L28 E32	Q26-D30 PolarHBondContact O-N 3.09Å; Q26-D30 VanDerWaalsContact O-N 3.12Å; K27-D30 PolarHBondContact O-N 3.37Å; L28-D30 VanDerWaalsContact C-N 3.26Å; D30-E32 HydrophobicContact CB-CB 4.42Å; D30-E32 HydrophobicContact CB-CG 4.36Å; D30-E32 PolarHBondContact O-N 3.48Å
31	D	52.8	Low	53.5	Low	159 Å²	159	88 Å²	88	85%	0.85	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	15.9	-174.8	-103.3	-8.7	0	0	0	114.3	A29	A29-D31 VanDerWaalsContact C-N 3.31Å; A29-D31 PolarHBondContact O-N 2.9Å
32	E	50.8	Low	53.6	Low	133 Å²	133	87 Å²	87	62%	0.621	45%	0.449	S	S	*	.			trans	-89.7	-8.3	-175.2	-84.8	-170.6	165.6	0	0	114.1	K27 D30	K27-E32 IonicContact NZ-OE2 3.85Å; K27-E32 PolarHBondContact NZ-OE2 2.89Å; K27-E32 PolarHBondContact O-N 3.38Å; D30-E32 HydrophobicContact CB-CB 4.42Å; D30-E32 HydrophobicContact CB-CG 4.36Å; D30-E32 PolarHBondContact O-N 3.48Å
33	L	48	Very low	53.4	Low	40 Å²	40	86.8 Å²	86.8	21%	0.209	44%	0.442	C	S	.	.	S	Bend	trans	-94.4	113.2	-174.9	-140.5	91.5	0	0	0	111.6	L24 K27 V35 L37	L24-L33 HydrophobicContact CD2-CD1 4.44Å; L24-L33 HydrophobicContact CD2-CD2 4.12Å; K27-L33 HydrophobicContact CB-CD1 3.73Å; K27-L33 HydrophobicContact CG-CD1 4.41Å; L33-V35 PolarHBondContact O-N 3.4Å; L33-L37 HydrophobicContact CD2-CB 4.32Å; L33-L37 HydrophobicContact CG-CB 4.3Å
34	D	54.3	Low	52.9	Low	93 Å²	93	85 Å²	85	50%	0.497	44%	0.438	S	S	.	.			trans	-50.6	134.6	173.5	-167	-34.2	0	0	0	111.4	E36 L37 R38	D34-E36 PolarHBondContact O-N 3.38Å; D34-E36 VanDerWaalsContact O-N 3.13Å; D34-E36 PolarHBondContact OD1-N 2.81Å; D34-L37 HydrophobicContact CB-CB 4.37Å; D34-L37 WeakPolarHBondContact O-CB 3.4Å; D34-L37 PolarHBondContact O-N 2.85Å; D34-R38 PolarHBondContact O-N 3.5Å; D34-R38 VanDerWaalsContact O-N 3.14Å
35	V	56.2	Low	52.8	Low	121 Å²	121	87.3 Å²	87.3	73%	0.733	45%	0.453	S	S	*	.	H	α-helix	trans	-52.2	-33.4	176.9	173.6	0	0	0	0	111.4	L33 R38 S39	L33-V35 PolarHBondContact O-N 3.4Å; V35-R38 PolarHBondContact O-N 3.16Å; V35-S39 PolarHBondContact O-N 2.86Å
36	E	49.6	Very low	52.5	Low	145 Å²	145	87.7 Å²	87.7	68%	0.678	46%	0.456	S	S	*	.	H	α-helix	trans	-67.2	-40.1	176.1	-68	-166.9	167.1	0	0	112.6	D34 R38 S39 A40	D34-E36 PolarHBondContact O-N 3.38Å; D34-E36 VanDerWaalsContact O-N 3.13Å; D34-E36 PolarHBondContact OD1-N 2.81Å; E36-R38 VanDerWaalsContact C-N 3.34Å; E36-S39 PolarHBondContact O-N 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.2Å; E36-A40 PolarHBondContact O-N 3.41Å
37	L	48.4	Very low	52.2	Low	59 Å²	59	86 Å²	86	31%	0.309	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-39.7	177.8	-118.5	145.6	0	0	0	111	L33 D34 A40 W41 F210	L33-L37 HydrophobicContact CD2-CB 4.32Å; L33-L37 HydrophobicContact CG-CB 4.3Å; D34-L37 HydrophobicContact CB-CB 4.37Å; D34-L37 WeakPolarHBondContact O-CB 3.4Å; D34-L37 PolarHBondContact O-N 2.85Å; L37-A40 PolarHBondContact O-N 3.36Å; L37-W41 WeakPolarHBondContact O-CB 3.47Å; L37-W41 PolarHBondContact O-N 2.79Å; L37-F210 HydrophobicContact CD2-CD2 4.04Å; L37-F210 HydrophobicContact CD2-CE2 4.23Å
38	R	50.5	Low	51.8	Low	128 Å²	128	88.6 Å²	88.6	48%	0.483	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-47.9	173.6	-175.9	178.5	177.2	168.8	2.8	111.9	D34 V35 E36 A40 W41 E42	D34-R38 PolarHBondContact O-N 3.5Å; D34-R38 VanDerWaalsContact O-N 3.14Å; V35-R38 PolarHBondContact O-N 3.16Å; E36-R38 VanDerWaalsContact C-N 3.34Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-A40 PolarHBondContact O-N 2.84Å; R38-W41 PolarHBondContact O-N 3.48Å; R38-E42 IonicContact CZ-OE1 3.8Å; R38-E42 IonicContact NE-OE1 3.79Å; R38-E42 PolarHBondContact NE-OE1 3.44Å; R38-E42 IonicContact NH2-OE1 2.9Å; R38-E42 WeakPolarHBondContact O-CG 3.46Å; R38-E42 PolarHBondContact O-N 2.88Å
39	S	55.4	Low	51.8	Low	60 Å²	60	87.5 Å²	87.5	42%	0.42	46%	0.455	S	S	.	.	H	α-helix	trans	-63.2	-40.5	177.8	-172.7	0	0	0	0	111.8	V35 E36 N43	V35-S39 PolarHBondContact O-N 2.86Å; E36-S39 PolarHBondContact O-N 3.31Å; S39-N43 VanDerWaalsContact O-CB 3.29Å; S39-N43 WeakPolarHBondContact O-CB 3.07Å; S39-N43 VanDerWaalsContact O-CG 3.32Å; S39-N43 PolarHBondContact O-N 3.39Å; S39-N43 PolarHBondContact O-ND2 3.05Å
40	A	49.8	Very low	51.4	Low	15 Å²	15	90.9 Å²	90.9	12%	0.124	45%	0.454	C	S	.	.	H	α-helix	trans	-62.7	-42.2	176.1	0	0	0	0	0	111.9	E36 L37 R38 C44	E36-A40 WeakPolarHBondContact O-CB 3.2Å; E36-A40 PolarHBondContact O-N 3.41Å; L37-A40 PolarHBondContact O-N 3.36Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-A40 PolarHBondContact O-N 2.84Å; A40-C44 WeakPolarHBondContact O-CB 3.31Å; A40-C44 PolarHBondContact O-N 3.33Å
41	W	48	Very low	50.6	Low	75 Å²	75	89.6 Å²	89.6	28%	0.284	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-51.8	176.4	176.1	-104.5	0	0	0	112.7	L24 L37 R38 N43 C44 V45 F210	L24-W41 HydrophobicContact CD1-CD2 3.64Å; L24-W41 HydrophobicContact CD1-CE3 4.24Å; L24-W41 HydrophobicContact CD1-CG 3.97Å; L24-W41 HydrophobicContact CD1-CH2 4.29Å; L24-W41 HydrophobicContact CD1-CZ2 3.71Å; L37-W41 WeakPolarHBondContact O-CB 3.47Å; L37-W41 PolarHBondContact O-N 2.79Å; R38-W41 PolarHBondContact O-N 3.48Å; W41-N43 PolarHBondContact O-N 3.31Å; W41-C44 CarbonylContact O-C 3.44Å; W41-C44 WeakPolarHBondContact O-CA 3.45Å; W41-C44 WeakPolarHBondContact O-CB 3.17Å; W41-C44 PolarHBondContact O-N 3.48Å; W41-V45 HydrophobicContact CD2-CG2 3.9Å; W41-V45 HydrophobicContact CG-CG2 4.32Å; W41-V45 HydrophobicContact CH2-CG2 4.25Å; W41-V45 HydrophobicContact CZ2-CG2 3.53Å; W41-V45 WeakPolarHBondContact O-CG2 3.35Å; W41-V45 PolarHBondContact O-N 3.11Å; W41-F210 HydrophobicContact CE3-CE2 4.12Å; W41-F210 AromaticContact CE3-CZ 3.88Å; W41-F210 HydrophobicContact CE3-CZ 3.88Å; W41-F210 HydrophobicContact CZ3-CZ 4.14Å
42	E	55.9	Low	50.2	Low	92 Å²	92	84.7 Å²	84.7	43%	0.43	43%	0.426	S	S	.	.	H	α-helix	trans	-56.7	-40.6	179	-74.1	174.7	-174.8	0	0	110.9	R38 Q46	R38-E42 IonicContact CZ-OE1 3.8Å; R38-E42 IonicContact NE-OE1 3.79Å; R38-E42 PolarHBondContact NE-OE1 3.44Å; R38-E42 IonicContact NH2-OE1 2.9Å; R38-E42 WeakPolarHBondContact O-CG 3.46Å; R38-E42 PolarHBondContact O-N 2.88Å; E42-Q46 WeakPolarHBondContact O-CB 3.38Å; E42-Q46 WeakPolarHBondContact O-CG 3.21Å; E42-Q46 PolarHBondContact O-N 2.73Å
43	N	54.6	Low	50.3	Low	67 Å²	67	85 Å²	85	36%	0.358	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-42.1	172	-81.3	-53	0	0	0	112.7	S39 W41 R47	S39-N43 VanDerWaalsContact O-CB 3.29Å; S39-N43 WeakPolarHBondContact O-CB 3.07Å; S39-N43 VanDerWaalsContact O-CG 3.32Å; S39-N43 PolarHBondContact O-N 3.39Å; S39-N43 PolarHBondContact O-ND2 3.05Å; W41-N43 PolarHBondContact O-N 3.31Å; N43-R47 VanDerWaalsContact O-CB 3.32Å; N43-R47 WeakPolarHBondContact O-CB 3.38Å; N43-R47 WeakPolarHBondContact O-CD 3.37Å; N43-R47 WeakPolarHBondContact O-CG 3.45Å; N43-R47 PolarHBondContact O-N 2.88Å
44	C	47	Very low	50.3	Low	31 Å²	31	86.6 Å²	86.6	21%	0.209	43%	0.434	C	S	.	.	H	α-helix	trans	-64.8	-45.3	178.5	-162.4	0	0	0	0	111.7	A40 W41 R47 R48	A40-C44 WeakPolarHBondContact O-CB 3.31Å; A40-C44 PolarHBondContact O-N 3.33Å; W41-C44 CarbonylContact O-C 3.44Å; W41-C44 WeakPolarHBondContact O-CA 3.45Å; W41-C44 WeakPolarHBondContact O-CB 3.17Å; W41-C44 PolarHBondContact O-N 3.48Å; C44-R47 PolarHBondContact O-N 3.43Å; C44-R48 WeakPolarHBondContact O-CB 3.26Å; C44-R48 PolarHBondContact O-N 3.01Å
45	V	48.9	Very low	49.8	Very low	65 Å²	65	84.5 Å²	84.5	39%	0.394	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-48.4	177.2	174	0	0	0	0	111.2	W41 R47 R48 A49	W41-V45 HydrophobicContact CD2-CG2 3.9Å; W41-V45 HydrophobicContact CG-CG2 4.32Å; W41-V45 HydrophobicContact CH2-CG2 4.25Å; W41-V45 HydrophobicContact CZ2-CG2 3.53Å; W41-V45 WeakPolarHBondContact O-CG2 3.35Å; W41-V45 PolarHBondContact O-N 3.11Å; V45-R47 VanDerWaalsContact C-N 3.31Å; V45-R47 PolarHBondContact O-N 2.9Å; V45-R48 PolarHBondContact O-N 3.14Å; V45-A49 WeakPolarHBondContact O-CB 3.36Å; V45-A49 PolarHBondContact O-N 3.3Å
46	Q	53.8	Low	49.6	Very low	135 Å²	135	84.7 Å²	84.7	63%	0.631	42%	0.415	S	S	*	.	H	α-helix	trans	-60.1	-41.1	176.8	-75.4	-176.8	2	0	0	112.1	E42 A49 K50	E42-Q46 WeakPolarHBondContact O-CB 3.38Å; E42-Q46 WeakPolarHBondContact O-CG 3.21Å; E42-Q46 PolarHBondContact O-N 2.73Å; Q46-A49 PolarHBondContact O-N 3.46Å; Q46-K50 WeakPolarHBondContact O-CB 3.26Å; Q46-K50 PolarHBondContact O-N 3.49Å
47	R	50	Low	49.7	Very low	85 Å²	85	84.9 Å²	84.9	32%	0.321	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-42.3	176.6	-73.8	169	-173.1	-171.4	1.6	111.8	N43 C44 V45 K50 F51	N43-R47 VanDerWaalsContact O-CB 3.32Å; N43-R47 WeakPolarHBondContact O-CB 3.38Å; N43-R47 WeakPolarHBondContact O-CD 3.37Å; N43-R47 WeakPolarHBondContact O-CG 3.45Å; N43-R47 PolarHBondContact O-N 2.88Å; C44-R47 PolarHBondContact O-N 3.43Å; V45-R47 VanDerWaalsContact C-N 3.31Å; V45-R47 PolarHBondContact O-N 2.9Å; R47-K50 PolarHBondContact O-N 3.03Å; R47-F51 PolarHBondContact O-N 2.98Å
48	R	45.2	Very low	49.6	Very low	116 Å²	116	83.2 Å²	83.2	44%	0.438	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-43.4	175.9	-170.9	177.8	179.5	-172.7	-5.2	111.7	E17 C44 V45 K50 F51 A52	E17-R48 IonicContact OE1-CZ 3.97Å; E17-R48 IonicContact OE1-NE 3.97Å; E17-R48 IonicContact OE1-NH1 2.8Å; E17-R48 PolarHBondContact OE1-NH1 3.13Å; E17-R48 IonicContact OE1-NH2 3.8Å; E17-R48 PolarHBondContact OE1-NH2 2.98Å; C44-R48 WeakPolarHBondContact O-CB 3.26Å; C44-R48 PolarHBondContact O-N 3.01Å; V45-R48 PolarHBondContact O-N 3.14Å; R48-K50 VanDerWaalsContact C-N 3.33Å; R48-K50 PolarHBondContact O-N 3.05Å; R48-F51 PolarHBondContact O-N 3.48Å; R48-A52 WeakPolarHBondContact O-CB 3.34Å; R48-A52 PolarHBondContact O-N 3.23Å
49	A	49.2	Very low	49.3	Very low	50 Å²	50	82.6 Å²	82.6	41%	0.413	41%	0.405	S	S	.	.	H	α-helix	trans	-60.3	-42.6	175.3	0	0	0	0	0	111.9	V45 Q46 A52 Q53	V45-A49 WeakPolarHBondContact O-CB 3.36Å; V45-A49 PolarHBondContact O-N 3.3Å; Q46-A49 PolarHBondContact O-N 3.46Å; A49-A52 PolarHBondContact O-N 3.19Å; A49-Q53 WeakPolarHBondContact O-CG 3.28Å; A49-Q53 PolarHBondContact O-N 3.23Å
50	K	51.3	Low	49.1	Very low	152 Å²	152	84.8 Å²	84.8	66%	0.661	41%	0.408	S	S	*	.	H	α-helix	trans	-63.9	-42.3	175.2	-168.2	-179.2	179.8	-174.5	0	112.2	Q46 R47 R48 Q53 E54	Q46-K50 WeakPolarHBondContact O-CB 3.26Å; Q46-K50 PolarHBondContact O-N 3.49Å; R47-K50 PolarHBondContact O-N 3.03Å; R48-K50 VanDerWaalsContact C-N 3.33Å; R48-K50 PolarHBondContact O-N 3.05Å; K50-Q53 PolarHBondContact O-N 2.64Å; K50-E54 PolarHBondContact O-N 2.98Å
51	F	43	Very low	49	Very low	61 Å²	61	88.8 Å²	88.8	27%	0.268	43%	0.427	S	S	.	.	H	α-helix	trans	-61	-47	174.3	176.5	-88.4	0	0	0	111.7	R47 R48 Q53 E54 V55 L194	R47-F51 PolarHBondContact O-N 2.98Å; R48-F51 PolarHBondContact O-N 3.48Å; F51-Q53 VanDerWaalsContact C-N 3.33Å; F51-Q53 PolarHBondContact O-N 3.01Å; F51-E54 PolarHBondContact O-N 2.86Å; F51-E54 VanDerWaalsContact O-N 3.16Å; F51-V55 HydrophobicContact CD1-CG2 4Å; F51-V55 HydrophobicContact CE1-CG2 3.63Å; F51-V55 HydrophobicContact CE2-CG2 4.48Å; F51-V55 HydrophobicContact CZ-CG2 3.89Å; F51-V55 WeakPolarHBondContact O-CG2 3.41Å; F51-V55 PolarHBondContact O-N 2.94Å; F51-L194 HydrophobicContact CD2-CB 4.05Å; F51-L194 HydrophobicContact CE2-CB 3.45Å; F51-L194 VanDerWaalsContact CE2-CB 3.45Å; F51-L194 HydrophobicContact CZ-CB 4.33Å
52	A	45.3	Very low	48.9	Very low	56 Å²	56	85.9 Å²	85.9	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-61.4	-40	177.8	0	0	0	0	0	112.4	R48 A49 K56	R48-A52 WeakPolarHBondContact O-CB 3.34Å; R48-A52 PolarHBondContact O-N 3.23Å; A49-A52 PolarHBondContact O-N 3.19Å; A52-K56 WeakPolarHBondContact O-CB 2.9Å; A52-K56 PolarHBondContact O-N 2.9Å
53	Q	52.2	Low	48.6	Very low	139 Å²	139	88 Å²	88	65%	0.65	43%	0.426	S	S	*	.	H	α-helix	trans	-62.2	-42.8	173.1	-76	177.9	-1.4	0	0	112.2	A49 K50 F51 K56 R57	A49-Q53 WeakPolarHBondContact O-CG 3.28Å; A49-Q53 PolarHBondContact O-N 3.23Å; K50-Q53 PolarHBondContact O-N 2.64Å; F51-Q53 VanDerWaalsContact C-N 3.33Å; F51-Q53 PolarHBondContact O-N 3.01Å; Q53-K56 PolarHBondContact O-N 3.14Å; Q53-R57 WeakPolarHBondContact O-CB 3.49Å; Q53-R57 PolarHBondContact O-N 2.99Å
54	E	47.7	Very low	48.2	Very low	73 Å²	73	88.6 Å²	88.6	34%	0.341	43%	0.433	S	S	.	.	H	α-helix	trans	-69.7	-39.7	179.7	-160	62.4	-159.4	0	0	111.7	K50 F51 K56 R57 I58 L194	K50-E54 PolarHBondContact O-N 2.98Å; F51-E54 PolarHBondContact O-N 2.86Å; F51-E54 VanDerWaalsContact O-N 3.16Å; E54-K56 VanDerWaalsContact C-N 3.34Å; E54-K56 PolarHBondContact O-N 3.5Å; E54-R57 WeakPolarHBondContact O-CB 3.47Å; E54-R57 PolarHBondContact O-N 2.96Å; E54-R57 IonicContact OE1-NH1 3.28Å; E54-R57 IonicContact OE2-NH1 2.67Å; E54-I58 HydrophobicContact CG-CD1 4.49Å; E54-I58 WeakPolarHBondContact O-CB 3.39Å; E54-I58 VanDerWaalsContact O-CG1 3.26Å; E54-I58 WeakPolarHBondContact O-CG1 3.43Å; E54-I58 PolarHBondContact O-N 2.96Å; E54-L194 HydrophobicContact CG-CD2 4.42Å
55	V	44.5	Very low	48.2	Very low	49 Å²	49	91 Å²	91	30%	0.297	44%	0.444	S	S	.	.	H	α-helix	trans	-58.6	-45.7	171.2	171	0	0	0	0	110.7	F51 R57 I58 M59 L194	F51-V55 HydrophobicContact CD1-CG2 4Å; F51-V55 HydrophobicContact CE1-CG2 3.63Å; F51-V55 HydrophobicContact CE2-CG2 4.48Å; F51-V55 HydrophobicContact CZ-CG2 3.89Å; F51-V55 WeakPolarHBondContact O-CG2 3.41Å; F51-V55 PolarHBondContact O-N 2.94Å; V55-R57 PolarHBondContact O-N 3.3Å; V55-I58 PolarHBondContact O-N 3.42Å; V55-M59 WeakPolarHBondContact O-CG 3.29Å; V55-M59 PolarHBondContact O-N 3.35Å; V55-L194 HydrophobicContact CG2-CD1 4.3Å
56	K	50.9	Low	48.1	Very low	126 Å²	126	91.1 Å²	91.1	55%	0.548	44%	0.44	S	S	.	.	H	α-helix	trans	-60.3	-46	176.4	-173	-179	178.3	-176.2	0	111.6	A52 Q53 E54 I58 M59 E60	A52-K56 WeakPolarHBondContact O-CB 2.9Å; A52-K56 PolarHBondContact O-N 2.9Å; Q53-K56 PolarHBondContact O-N 3.14Å; E54-K56 VanDerWaalsContact C-N 3.34Å; E54-K56 PolarHBondContact O-N 3.5Å; K56-I58 VanDerWaalsContact C-N 3.31Å; K56-I58 PolarHBondContact O-N 3.43Å; K56-M59 WeakPolarHBondContact O-CB 3.34Å; K56-M59 PolarHBondContact O-N 2.72Å; K56-M59 VanDerWaalsContact O-N 3.16Å; K56-E60 VanDerWaalsContact CE-OE1 3.25Å; K56-E60 WeakPolarHBondContact CE-OE1 3.28Å; K56-E60 WeakPolarHBondContact O-CG 3.45Å; K56-E60 PolarHBondContact O-N 3.27Å
57	R	52.8	Low	48.3	Very low	149 Å²	149	92.5 Å²	92.5	56%	0.562	44%	0.444	S	S	*	.	H	α-helix	trans	-60.2	-40.4	176.8	-171.5	-176.1	-174.9	-174.8	2.1	112.1	Q53 E54 V55 E60 L61	Q53-R57 WeakPolarHBondContact O-CB 3.49Å; Q53-R57 PolarHBondContact O-N 2.99Å; E54-R57 WeakPolarHBondContact O-CB 3.47Å; E54-R57 PolarHBondContact O-N 2.96Å; E54-R57 IonicContact OE1-NH1 3.28Å; E54-R57 IonicContact OE2-NH1 2.67Å; V55-R57 PolarHBondContact O-N 3.3Å; R57-E60 PolarHBondContact O-N 2.76Å; R57-L61 WeakPolarHBondContact O-CG 3.47Å; R57-L61 PolarHBondContact O-N 2.67Å
58	I	45.6	Very low	48.3	Very low	24 Å²	24	94 Å²	94	12%	0.123	46%	0.458	C	S	.	.	H	α-helix	trans	-63.2	-46.1	174.5	-70.8	170.2	0	0	0	110.4	E54 V55 K56 E60 L61 Y62 L194	E54-I58 HydrophobicContact CG-CD1 4.49Å; E54-I58 WeakPolarHBondContact O-CB 3.39Å; E54-I58 VanDerWaalsContact O-CG1 3.26Å; E54-I58 WeakPolarHBondContact O-CG1 3.43Å; E54-I58 PolarHBondContact O-N 2.96Å; V55-I58 PolarHBondContact O-N 3.42Å; K56-I58 VanDerWaalsContact C-N 3.31Å; K56-I58 PolarHBondContact O-N 3.43Å; I58-E60 VanDerWaalsContact C-N 3.31Å; I58-E60 PolarHBondContact O-N 2.79Å; I58-L61 WeakPolarHBondContact O-CB 3.39Å; I58-L61 PolarHBondContact O-N 3.25Å; I58-L61 VanDerWaalsContact O-N 3.14Å; I58-Y62 HydrophobicContact CG2-CD2 3.82Å; I58-Y62 HydrophobicContact CG2-CE2 3.46Å; I58-Y62 VanDerWaalsContact CG2-CE2 3.46Å; I58-Y62 WeakPolarHBondContact O-CD2 3.21Å; I58-Y62 PolarHBondContact O-N 3.11Å; I58-L194 HydrophobicContact CD1-CD1 3.5Å
59	M	44.9	Very low	48.4	Very low	115 Å²	115	91.3 Å²	91.3	57%	0.567	45%	0.451	S	S	*	.	H	α-helix	trans	-60.1	-40.8	175.8	-66.7	-149.1	-55.6	0	0	112.4	V55 K56 L61 Y62 Q63	V55-M59 WeakPolarHBondContact O-CG 3.29Å; V55-M59 PolarHBondContact O-N 3.35Å; K56-M59 WeakPolarHBondContact O-CB 3.34Å; K56-M59 PolarHBondContact O-N 2.72Å; K56-M59 VanDerWaalsContact O-N 3.16Å; M59-L61 VanDerWaalsContact C-N 3.3Å; M59-L61 PolarHBondContact O-N 3.4Å; M59-Y62 PolarHBondContact O-N 3.47Å; M59-Q63 PolarHBondContact O-N 3.3Å
60	E	51.1	Low	48.6	Very low	105 Å²	105	93 Å²	93	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-64.6	-31.1	175.8	-72.5	172.6	-179.5	0	0	112.6	K56 R57 I58 P64	K56-E60 VanDerWaalsContact CE-OE1 3.25Å; K56-E60 WeakPolarHBondContact CE-OE1 3.28Å; K56-E60 WeakPolarHBondContact O-CG 3.45Å; K56-E60 PolarHBondContact O-N 3.27Å; R57-E60 PolarHBondContact O-N 2.76Å; I58-E60 VanDerWaalsContact C-N 3.31Å; I58-E60 PolarHBondContact O-N 2.79Å; E60-P64 WeakPolarHBondContact O-CD 3.38Å
61	L	48	Very low	48.9	Very low	99 Å²	99	88.6 Å²	88.6	52%	0.518	44%	0.442	S	S	.	.	H	α-helix	trans	-71.7	-35	174.4	-76	167.3	0	0	0	113.2	R57 I58 M59 P64	R57-L61 WeakPolarHBondContact O-CG 3.47Å; R57-L61 PolarHBondContact O-N 2.67Å; I58-L61 WeakPolarHBondContact O-CB 3.39Å; I58-L61 PolarHBondContact O-N 3.25Å; I58-L61 VanDerWaalsContact O-N 3.14Å; M59-L61 VanDerWaalsContact C-N 3.3Å; M59-L61 PolarHBondContact O-N 3.4Å; L61-P64 WeakPolarHBondContact O-CD 3.47Å
62	Y	44	Very low	49.2	Very low	14 Å²	14	89.6 Å²	89.6	6%	0.055	45%	0.453	C	S	.	.	H	α-helix	trans	-77.4	-29.5	179.4	-76.2	-75.3	0	0	0	113.1	I58 M59 I65 E66 L183 D186 R187 R190	I58-Y62 HydrophobicContact CG2-CD2 3.82Å; I58-Y62 HydrophobicContact CG2-CE2 3.46Å; I58-Y62 VanDerWaalsContact CG2-CE2 3.46Å; I58-Y62 WeakPolarHBondContact O-CD2 3.21Å; I58-Y62 PolarHBondContact O-N 3.11Å; M59-Y62 PolarHBondContact O-N 3.47Å; Y62-I65 PolarHBondContact O-N 3Å; Y62-I65 VanDerWaalsContact O-N 3.13Å; Y62-E66 WeakPolarHBondContact O-CB 3.28Å; Y62-E66 PolarHBondContact O-N 3.04Å; Y62-L183 HydrophobicContact CD1-CD2 3.84Å; Y62-L183 HydrophobicContact CE1-CD2 4.04Å; Y62-D186 VanDerWaalsContact OH-CG 3.28Å; Y62-D186 PolarHBondContact OH-OD2 3.46Å; Y62-R187 HydrophobicContact CE2-CG 4.44Å; Y62-R190 WeakPolarHBondContact OH-CD 3.17Å; Y62-R190 PolarHBondContact OH-NE 3.01Å
63	Q	50.4	Low	49.3	Very low	137 Å²	137	88.6 Å²	88.6	64%	0.64	44%	0.44	S	S	*	.	H	α-helix	trans	-54.4	-48.5	-178.6	-94.5	-173.4	-9.1	0	0	114	M59 I65 K67	M59-Q63 PolarHBondContact O-N 3.3Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.25Å; Q63-K67 VanDerWaalsContact O-CB 3.28Å; Q63-K67 WeakPolarHBondContact O-CB 3.3Å; Q63-K67 PolarHBondContact O-N 2.6Å
64	P	46.4	Very low	49.6	Very low	79 Å²	79	88.2 Å²	88.2	51%	0.513	44%	0.436	S	S	.	.	H	α-helix	trans	-63.4	-38.8	176.2	-22	30.9	0	0	0	113	E60 L61 K67 L68	E60-P64 WeakPolarHBondContact O-CD 3.38Å; L61-P64 WeakPolarHBondContact O-CD 3.47Å; P64-K67 PolarHBondContact O-N 2.98Å; P64-L68 VanDerWaalsContact O-CB 3.27Å; P64-L68 WeakPolarHBondContact O-CB 3.43Å; P64-L68 PolarHBondContact O-N 2.94Å
65	I	46.5	Very low	50	Low	83 Å²	83	87.1 Å²	87.1	43%	0.426	44%	0.436	S	S	.	.	H	α-helix	trans	-66.2	-48.5	-179.2	-64.5	173.4	0	0	0	109.8	Y62 Q63 K67 L68 L69	Y62-I65 PolarHBondContact O-N 3Å; Y62-I65 VanDerWaalsContact O-N 3.13Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.25Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 2.85Å; I65-L68 PolarHBondContact O-N 2.98Å; I65-L69 HydrophobicContact CG2-CD1 3.78Å; I65-L69 WeakPolarHBondContact O-CB 3.4Å; I65-L69 PolarHBondContact O-N 3.05Å
66	E	47.5	Very low	50	Low	66 Å²	66	87.3 Å²	87.3	31%	0.308	44%	0.436	S	S	.	.	H	α-helix	trans	-60.7	-43	176.3	-169.9	172.5	173.4	0	0	111	Y62 N70 R187	Y62-E66 WeakPolarHBondContact O-CB 3.28Å; Y62-E66 PolarHBondContact O-N 3.04Å; E66-N70 VanDerWaalsContact O-CB 3.26Å; E66-N70 WeakPolarHBondContact O-CB 3.49Å; E66-N70 VanDerWaalsContact O-CG 3.26Å; E66-N70 PolarHBondContact O-N 3.05Å; E66-N70 PolarHBondContact O-ND2 3.5Å; E66-R187 IonicContact OE2-NH2 3.39Å; E66-R187 PolarHBondContact OE2-NH2 3.28Å
67	K	58.3	Low	49.9	Very low	165 Å²	165	86.2 Å²	86.2	72%	0.717	43%	0.428	S	S	*	.	H	α-helix	trans	-63.6	-44.7	175.9	-167	178.3	-176.4	179.4	0	112.4	Q63 P64 I65 S71	Q63-K67 VanDerWaalsContact O-CB 3.28Å; Q63-K67 WeakPolarHBondContact O-CB 3.3Å; Q63-K67 PolarHBondContact O-N 2.6Å; P64-K67 PolarHBondContact O-N 2.98Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 2.85Å; K67-S71 WeakPolarHBondContact O-CB 3.43Å; K67-S71 PolarHBondContact O-N 2.93Å; K67-S71 PolarHBondContact O-OG 3.3Å
68	L	48.6	Very low	49.8	Very low	117 Å²	117	83.5 Å²	83.5	61%	0.613	42%	0.422	S	S	*	.	H	α-helix	trans	-65.8	-44.1	179.2	-177.7	68.6	0	0	0	111.4	P64 I65 S71 T72	P64-L68 VanDerWaalsContact O-CB 3.27Å; P64-L68 WeakPolarHBondContact O-CB 3.43Å; P64-L68 PolarHBondContact O-N 2.94Å; I65-L68 PolarHBondContact O-N 2.98Å; L68-S71 WeakPolarHBondContact CA-OG 3.27Å; L68-S71 PolarHBondContact O-N 2.97Å; L68-S71 PolarHBondContact O-OG 3.47Å; L68-T72 WeakPolarHBondContact O-CB 3.35Å; L68-T72 PolarHBondContact O-N 3.45Å; L68-T72 PolarHBondContact O-OG1 2.82Å
69	L	48.3	Very low	50.1	Low	58 Å²	58	88.2 Å²	88.2	30%	0.304	44%	0.443	S	S	.	.	H	α-helix	trans	-62.6	-49.4	176.3	-97.9	146.5	0	0	0	111.3	I65 S71 T72 L73 L179	I65-L69 HydrophobicContact CG2-CD1 3.78Å; I65-L69 WeakPolarHBondContact O-CB 3.4Å; I65-L69 PolarHBondContact O-N 3.05Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 3.28Å; L69-T72 PolarHBondContact O-N 3.5Å; L69-T72 VanDerWaalsContact O-N 3.13Å; L69-L73 WeakPolarHBondContact O-CB 3.26Å; L69-L73 WeakPolarHBondContact O-CG 3.24Å; L69-L73 PolarHBondContact O-N 3.48Å; L69-L179 HydrophobicContact CD1-CD2 3.91Å; L69-L179 HydrophobicContact CD2-CD1 3.94Å; L69-L179 HydrophobicContact CD2-CD2 3.88Å; L69-L179 HydrophobicContact CG-CD2 4.44Å
70	N	52.7	Low	50.3	Low	86 Å²	86	88.3 Å²	88.3	46%	0.46	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-39.3	177	-74.6	-24.5	0	0	0	111.6	E66 K74	E66-N70 VanDerWaalsContact O-CB 3.26Å; E66-N70 WeakPolarHBondContact O-CB 3.49Å; E66-N70 VanDerWaalsContact O-CG 3.26Å; E66-N70 PolarHBondContact O-N 3.05Å; E66-N70 PolarHBondContact O-ND2 3.5Å; N70-K74 WeakPolarHBondContact O-CB 3.43Å; N70-K74 PolarHBondContact O-N 2.92Å
71	S	59	Low	49.8	Very low	59 Å²	59	85 Å²	85	41%	0.413	43%	0.432	S	S	.	.	H	α-helix	trans	-67.3	-36.2	174.3	66.7	0	0	0	0	113.1	K67 L68 L69 S75	K67-S71 WeakPolarHBondContact O-CB 3.43Å; K67-S71 PolarHBondContact O-N 2.93Å; K67-S71 PolarHBondContact O-OG 3.3Å; L68-S71 WeakPolarHBondContact CA-OG 3.27Å; L68-S71 PolarHBondContact O-N 2.97Å; L68-S71 PolarHBondContact O-OG 3.47Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 3.28Å; S71-S75 VanDerWaalsContact O-CB 3.28Å; S71-S75 WeakPolarHBondContact O-CB 3.15Å; S71-S75 PolarHBondContact O-N 2.86Å
72	T	49.4	Very low	49.7	Very low	83 Å²	83	85.5 Å²	85.5	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-71.2	-46.1	179.9	-57.1	0	0	0	0	110.7	L68 L69 K74 S75 D76	L68-T72 WeakPolarHBondContact O-CB 3.35Å; L68-T72 PolarHBondContact O-N 3.45Å; L68-T72 PolarHBondContact O-OG1 2.82Å; L69-T72 PolarHBondContact O-N 3.5Å; L69-T72 VanDerWaalsContact O-N 3.13Å; T72-K74 VanDerWaalsContact C-N 3.35Å; T72-S75 PolarHBondContact O-N 3.46Å; T72-D76 WeakPolarHBondContact O-CB 3.45Å; T72-D76 PolarHBondContact O-N 2.8Å
73	L	47.3	Very low	50	Low	35 Å²	35	87.9 Å²	87.9	18%	0.183	45%	0.45	C	S	.	.	H	α-helix	trans	-62.7	-41.8	174.7	-74.5	171.3	0	0	0	111.4	L69 R77 Y172 L179	L69-L73 WeakPolarHBondContact O-CB 3.26Å; L69-L73 WeakPolarHBondContact O-CG 3.24Å; L69-L73 PolarHBondContact O-N 3.48Å; L73-R77 WeakPolarHBondContact O-CB 3.44Å; L73-R77 WeakPolarHBondContact O-CG 3.43Å; L73-R77 PolarHBondContact O-N 3.06Å; L73-Y172 HydrophobicContact CD2-CD1 4.02Å; L73-Y172 HydrophobicContact CD2-CE1 3.97Å; L73-L179 HydrophobicContact CD1-CD1 4.46Å
74	K	56.9	Low	49.7	Very low	131 Å²	131	83 Å²	83	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-61.1	-47.3	173.6	-178	175.2	174.7	177.1	0	111.3	N70 T72 R77 E78	N70-K74 WeakPolarHBondContact O-CB 3.43Å; N70-K74 PolarHBondContact O-N 2.92Å; T72-K74 VanDerWaalsContact C-N 3.35Å; K74-R77 PolarHBondContact O-N 3.09Å; K74-E78 WeakPolarHBondContact CE-OE1 3.18Å; K74-E78 HydrophobicContact CG-CG 4.44Å; K74-E78 IonicContact NZ-OE1 3.42Å; K74-E78 WeakPolarHBondContact O-CB 3.3Å; K74-E78 VanDerWaalsContact O-CG 3.3Å; K74-E78 WeakPolarHBondContact O-CG 3.26Å; K74-E78 PolarHBondContact O-N 3.12Å
75	S	56.3	Low	49.3	Very low	49 Å²	49	86.3 Å²	86.3	34%	0.343	43%	0.432	S	S	.	.	H	α-helix	trans	-63.7	-41.4	179.3	-170.8	0	0	0	0	112.4	S71 T72 E78 Q79	S71-S75 VanDerWaalsContact O-CB 3.28Å; S71-S75 WeakPolarHBondContact O-CB 3.15Å; S71-S75 PolarHBondContact O-N 2.86Å; T72-S75 PolarHBondContact O-N 3.46Å; S75-E78 PolarHBondContact O-N 2.86Å; S75-Q79 WeakPolarHBondContact O-CB 3.32Å; S75-Q79 VanDerWaalsContact O-CG 3.29Å; S75-Q79 WeakPolarHBondContact O-CG 3.45Å; S75-Q79 PolarHBondContact O-N 3.49Å
76	D	45.8	Very low	49.3	Very low	54 Å²	54	89.9 Å²	89.9	29%	0.289	44%	0.44	S	S	.	.	H	α-helix	trans	-67.8	-42.5	176.6	-173.1	44.5	0	0	0	111.5	T72 E78 Q79 R80 Y172	T72-D76 WeakPolarHBondContact O-CB 3.45Å; T72-D76 PolarHBondContact O-N 2.8Å; D76-E78 VanDerWaalsContact C-N 3.34Å; D76-E78 PolarHBondContact O-N 3.33Å; D76-Q79 PolarHBondContact O-N 3.37Å; D76-R80 WeakPolarHBondContact O-CB 3.46Å; D76-R80 WeakPolarHBondContact O-CG 3.36Å; D76-R80 PolarHBondContact O-N 2.71Å; D76-R80 IonicContact OD1-NE 3.6Å; D76-R80 PolarHBondContact OD1-NE 3.38Å; D76-R80 IonicContact OD2-NE 3.79Å; D76-Y172 PolarHBondContact OD2-OH 2.83Å
77	R	47.4	Very low	49.3	Very low	102 Å²	102	92 Å²	92	39%	0.385	45%	0.45	S	S	.	.	H	α-helix	trans	-58.3	-44.9	171.3	-78.1	-177.9	-179.7	173.6	4.9	111.4	L73 K74 G81 Y172 E176	L73-R77 WeakPolarHBondContact O-CB 3.44Å; L73-R77 WeakPolarHBondContact O-CG 3.43Å; L73-R77 PolarHBondContact O-N 3.06Å; K74-R77 PolarHBondContact O-N 3.09Å; R77-G81 WeakPolarHBondContact O-CA 3.5Å; R77-G81 PolarHBondContact O-N 3.37Å; R77-Y172 HydrophobicContact CG-CD2 4.17Å; R77-Y172 HydrophobicContact CG-CE2 3.95Å; R77-E176 IonicContact CZ-OE2 2.78Å; R77-E176 IonicContact NH1-OE2 2.96Å; R77-E176 IonicContact NH2-OE2 3.7Å; R77-E176 PolarHBondContact NH2-OE2 3.45Å
78	E	52.2	Low	48.2	Very low	93 Å²	93	88.4 Å²	88.4	44%	0.435	43%	0.432	S	S	.	.	H	α-helix	trans	-66.8	-43.9	177.7	-76.6	173.6	-179.6	0	0	112.3	K74 S75 D76 G81 Q82	K74-E78 WeakPolarHBondContact CE-OE1 3.18Å; K74-E78 HydrophobicContact CG-CG 4.44Å; K74-E78 IonicContact NZ-OE1 3.42Å; K74-E78 WeakPolarHBondContact O-CB 3.3Å; K74-E78 VanDerWaalsContact O-CG 3.3Å; K74-E78 WeakPolarHBondContact O-CG 3.26Å; K74-E78 PolarHBondContact O-N 3.12Å; S75-E78 PolarHBondContact O-N 2.86Å; D76-E78 VanDerWaalsContact C-N 3.34Å; D76-E78 PolarHBondContact O-N 3.33Å; E78-G81 PolarHBondContact O-N 3.35Å; E78-Q82 VanDerWaalsContact O-CB 3.26Å; E78-Q82 WeakPolarHBondContact O-CB 3.48Å; E78-Q82 WeakPolarHBondContact O-CG 3.25Å; E78-Q82 PolarHBondContact O-N 3.49Å
79	Q	50.5	Low	47.7	Very low	122 Å²	122	83.9 Å²	83.9	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-65.3	-44.9	178.5	-77.2	-177.1	12.8	0	0	111.7	S75 D76 Q82 S83	S75-Q79 WeakPolarHBondContact O-CB 3.32Å; S75-Q79 VanDerWaalsContact O-CG 3.29Å; S75-Q79 WeakPolarHBondContact O-CG 3.45Å; S75-Q79 PolarHBondContact O-N 3.49Å; D76-Q79 PolarHBondContact O-N 3.37Å; Q79-Q82 PolarHBondContact O-N 2.99Å; Q79-S83 WeakPolarHBondContact O-CB 3.49Å; Q79-S83 PolarHBondContact O-N 3.48Å
80	R	49.2	Very low	47.6	Very low	117 Å²	117	86.3 Å²	86.3	44%	0.442	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-44.6	174.7	-72.8	-177.7	-177.6	-150.3	-2.9	111.2	D76 Q82 S83 L84 Y172	D76-R80 WeakPolarHBondContact O-CB 3.46Å; D76-R80 WeakPolarHBondContact O-CG 3.36Å; D76-R80 PolarHBondContact O-N 2.71Å; D76-R80 IonicContact OD1-NE 3.6Å; D76-R80 PolarHBondContact OD1-NE 3.38Å; D76-R80 IonicContact OD2-NE 3.79Å; R80-Q82 PolarHBondContact O-N 2.8Å; R80-S83 PolarHBondContact O-N 2.86Å; R80-L84 WeakPolarHBondContact O-CB 3.27Å; R80-L84 WeakPolarHBondContact O-CG 3.1Å; R80-L84 PolarHBondContact O-N 3.47Å; R80-Y172 WeakPolarHBondContact CD-OH 3.48Å; R80-Y172 PolarHBondContact NE-OH 2.72Å
81	G	41.9	Very low	47	Very low	37 Å²	37	84.8 Å²	84.8	38%	0.381	42%	0.42	S	S	.	.	H	α-helix	trans	-58.2	-45.1	174.6	0	0	0	0	0	112.3	R77 E78 L84 Y85	R77-G81 WeakPolarHBondContact O-CA 3.5Å; R77-G81 PolarHBondContact O-N 3.37Å; E78-G81 PolarHBondContact O-N 3.35Å; G81-L84 PolarHBondContact O-N 2.71Å; G81-Y85 VanDerWaalsContact O-CB 3.22Å; G81-Y85 WeakPolarHBondContact O-CB 2.92Å; G81-Y85 PolarHBondContact O-N 3.34Å
82	Q	45.3	Very low	45.9	Very low	108 Å²	108	83.9 Å²	83.9	51%	0.505	41%	0.412	S	S	.	.	H	α-helix	trans	-67.6	-35.5	175.2	-76	176.9	16.1	0	0	112.9	E78 Q79 R80 R86	E78-Q82 VanDerWaalsContact O-CB 3.26Å; E78-Q82 WeakPolarHBondContact O-CB 3.48Å; E78-Q82 WeakPolarHBondContact O-CG 3.25Å; E78-Q82 PolarHBondContact O-N 3.49Å; Q79-Q82 PolarHBondContact O-N 2.99Å; R80-Q82 PolarHBondContact O-N 2.8Å; Q82-R86 VanDerWaalsContact O-CB 3.3Å; Q82-R86 WeakPolarHBondContact O-CB 3.45Å; Q82-R86 WeakPolarHBondContact O-CG 3.32Å; Q82-R86 PolarHBondContact O-N 2.71Å; Q82-R86 PolarHBondContact O-NE 2.93Å
83	S	50.4	Low	45.5	Very low	64 Å²	64	87 Å²	87	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-48.3	175.4	-172.1	0	0	0	0	110.4	Q79 R80 R86 E87	Q79-S83 WeakPolarHBondContact O-CB 3.49Å; Q79-S83 PolarHBondContact O-N 3.48Å; R80-S83 PolarHBondContact O-N 2.86Å; S83-R86 PolarHBondContact O-N 3.38Å; S83-E87 WeakPolarHBondContact O-CB 3.36Å; S83-E87 PolarHBondContact O-N 3.36Å
84	L	43	Very low	45.4	Very low	34 Å²	34	87.7 Å²	87.7	18%	0.178	42%	0.424	C	S	.	.	H	α-helix	trans	-61.8	-42.6	175	-77.4	172.4	0	0	0	111.8	R80 G81 E87 W88 F161 I168	R80-L84 WeakPolarHBondContact O-CB 3.27Å; R80-L84 WeakPolarHBondContact O-CG 3.1Å; R80-L84 PolarHBondContact O-N 3.47Å; G81-L84 PolarHBondContact O-N 2.71Å; L84-E87 PolarHBondContact O-N 2.8Å; L84-W88 VanDerWaalsContact O-CB 3.3Å; L84-W88 WeakPolarHBondContact O-CB 3.28Å; L84-W88 PolarHBondContact O-N 3.44Å; L84-F161 HydrophobicContact CB-CE2 3.88Å; L84-I168 HydrophobicContact CD1-CD1 3.3Å
85	Y	38	Very low	44.8	Very low	150 Å²	150	88.5 Å²	88.5	59%	0.588	43%	0.43	S	S	*	.	H	α-helix	trans	-65.3	-37.7	175.7	-173.7	-98.7	0	0	0	112.1	G81 W88 G89	G81-Y85 VanDerWaalsContact O-CB 3.22Å; G81-Y85 WeakPolarHBondContact O-CB 2.92Å; G81-Y85 PolarHBondContact O-N 3.34Å; Y85-W88 HydrophobicContact CD2-CE3 4.26Å; Y85-W88 HydrophobicContact CE2-CE3 4.04Å; Y85-W88 HydrophobicContact CE2-CZ3 4.04Å; Y85-G89 PolarHBondContact O-N 3.32Å
86	R	48.5	Very low	44.1	Very low	157 Å²	157	88.6 Å²	88.6	59%	0.592	43%	0.43	S	S	*	.	H	α-helix	trans	-66.5	-41.5	172.9	-84.9	-174.5	-84.1	177.3	-10	112	Q82 S83 G89 N90	Q82-R86 VanDerWaalsContact O-CB 3.3Å; Q82-R86 WeakPolarHBondContact O-CB 3.45Å; Q82-R86 WeakPolarHBondContact O-CG 3.32Å; Q82-R86 PolarHBondContact O-N 2.71Å; Q82-R86 PolarHBondContact O-NE 2.93Å; S83-R86 PolarHBondContact O-N 3.38Å; R86-G89 PolarHBondContact O-N 2.86Å; R86-N90 VanDerWaalsContact O-CB 3.31Å; R86-N90 WeakPolarHBondContact O-CB 3.46Å; R86-N90 PolarHBondContact O-N 3.28Å; R86-N90 PolarHBondContact O-ND2 2.93Å
87	E	46.9	Very low	43.8	Very low	111 Å²	111	86.2 Å²	86.2	52%	0.519	42%	0.418	S	S	.	.	H	α-helix	trans	-64.7	-44.4	176.7	-158.3	170.7	-162.5	0	0	110.4	S83 L84 N90 T91	S83-E87 WeakPolarHBondContact O-CB 3.36Å; S83-E87 PolarHBondContact O-N 3.36Å; L84-E87 PolarHBondContact O-N 2.8Å; E87-N90 PolarHBondContact O-N 2.9Å; E87-T91 WeakPolarHBondContact O-CB 3.01Å; E87-T91 PolarHBondContact O-N 3.34Å; E87-T91 PolarHBondContact O-OG1 2.98Å
88	W	35.8	Very low	43.6	Very low	90 Å²	90	85.2 Å²	85.2	34%	0.341	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-51.5	171.6	-177.3	82.5	0	0	0	112	L84 Y85 N90 T91 V92 F161	L84-W88 VanDerWaalsContact O-CB 3.3Å; L84-W88 WeakPolarHBondContact O-CB 3.28Å; L84-W88 PolarHBondContact O-N 3.44Å; Y85-W88 HydrophobicContact CD2-CE3 4.26Å; Y85-W88 HydrophobicContact CE2-CE3 4.04Å; Y85-W88 HydrophobicContact CE2-CZ3 4.04Å; W88-N90 VanDerWaalsContact C-N 3.3Å; W88-N90 PolarHBondContact O-N 3.36Å; W88-T91 CarbonylContact O-C 3.47Å; W88-T91 VanDerWaalsContact O-CA 3.31Å; W88-T91 WeakPolarHBondContact O-CA 3.32Å; W88-T91 VanDerWaalsContact O-CB 3.29Å; W88-T91 WeakPolarHBondContact O-CB 3.32Å; W88-T91 PolarHBondContact O-N 3.33Å; W88-V92 HydrophobicContact CD2-CG2 3.77Å; W88-V92 HydrophobicContact CE3-CG2 4.02Å; W88-V92 HydrophobicContact CG-CG2 4.43Å; W88-V92 HydrophobicContact CH2-CG2 3.86Å; W88-V92 HydrophobicContact CZ2-CG2 3.58Å; W88-V92 HydrophobicContact CZ3-CG2 4.07Å; W88-V92 WeakPolarHBondContact O-CG2 3.47Å; W88-V92 PolarHBondContact O-N 3.18Å; W88-F161 HydrophobicContact CB-CD2 4.16Å; W88-F161 HydrophobicContact CB-CE2 4.12Å; W88-F161 HydrophobicContact CG-CD2 4.37Å
89	G	36.2	Very low	43	Very low	21 Å²	21	87 Å²	87	22%	0.216	42%	0.423	C	S	.	.	H	α-helix	trans	-60.6	-35.3	178.4	0	0	0	0	0	113.4	Y85 R86 T91 V92 K93	Y85-G89 PolarHBondContact O-N 3.32Å; R86-G89 PolarHBondContact O-N 2.86Å; G89-T91 VanDerWaalsContact C-N 3.27Å; G89-T91 PolarHBondContact O-N 2.95Å; G89-V92 PolarHBondContact O-N 3.47Å; G89-K93 WeakPolarHBondContact O-CG 3.3Å; G89-K93 PolarHBondContact O-N 3.2Å
90	N	47.3	Very low	42.6	Very low	109 Å²	109	82.5 Å²	82.5	58%	0.583	40%	0.402	S	S	*	.	H	α-helix	trans	-68.1	-29	171.3	-73.8	-25.2	0	0	0	112.3	R86 E87 W88	R86-N90 VanDerWaalsContact O-CB 3.31Å; R86-N90 WeakPolarHBondContact O-CB 3.46Å; R86-N90 PolarHBondContact O-N 3.28Å; R86-N90 PolarHBondContact O-ND2 2.93Å; E87-N90 PolarHBondContact O-N 2.9Å; W88-N90 VanDerWaalsContact C-N 3.3Å; W88-N90 PolarHBondContact O-N 3.36Å
91	T	40.5	Very low	42.3	Very low	55 Å²	55	80 Å²	80	34%	0.337	40%	0.402	S	S	.	.	H	α-helix	trans	-79.8	-33.4	177	-47.1	0	0	0	0	111.8	E87 W88 G89 K93 T94	E87-T91 WeakPolarHBondContact O-CB 3.01Å; E87-T91 PolarHBondContact O-N 3.34Å; E87-T91 PolarHBondContact O-OG1 2.98Å; W88-T91 CarbonylContact O-C 3.47Å; W88-T91 VanDerWaalsContact O-CA 3.31Å; W88-T91 WeakPolarHBondContact O-CA 3.32Å; W88-T91 VanDerWaalsContact O-CB 3.29Å; W88-T91 WeakPolarHBondContact O-CB 3.32Å; W88-T91 PolarHBondContact O-N 3.33Å; G89-T91 VanDerWaalsContact C-N 3.27Å; G89-T91 PolarHBondContact O-N 2.95Å; T91-K93 VanDerWaalsContact C-N 3.26Å; T91-K93 PolarHBondContact O-N 2.88Å; T91-T94 WeakPolarHBondContact O-CB 3.2Å; T91-T94 WeakPolarHBondContact O-CG2 3.48Å; T91-T94 PolarHBondContact O-N 3.45Å; T91-T94 VanDerWaalsContact O-N 3.16Å; T91-T94 PolarHBondContact O-OG1 2.72Å
92	V	35.5	Very low	42.4	Very low	39 Å²	39	83.8 Å²	83.8	24%	0.236	41%	0.408	C	S	.	.	H	α-helix	trans	-69.9	-22.1	172.8	178.9	0	0	0	0	112	W88 G89 T94 C97	W88-V92 HydrophobicContact CD2-CG2 3.77Å; W88-V92 HydrophobicContact CE3-CG2 4.02Å; W88-V92 HydrophobicContact CG-CG2 4.43Å; W88-V92 HydrophobicContact CH2-CG2 3.86Å; W88-V92 HydrophobicContact CZ2-CG2 3.58Å; W88-V92 HydrophobicContact CZ3-CG2 4.07Å; W88-V92 WeakPolarHBondContact O-CG2 3.47Å; W88-V92 PolarHBondContact O-N 3.18Å; G89-V92 PolarHBondContact O-N 3.47Å; V92-T94 PolarHBondContact O-N 2.8Å; V92-C97 HydrophobicContact CG1-CB 4.27Å; V92-C97 WeakPolarHBondContact O-CB 3.28Å
93	K	40.3	Very low	42.2	Very low	150 Å²	150	79.1 Å²	79.1	65%	0.652	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	1.6	169.7	-73	177.9	-177.1	179.2	0	114.3	G89 T91 I98	G89-K93 WeakPolarHBondContact O-CG 3.3Å; G89-K93 PolarHBondContact O-N 3.2Å; T91-K93 VanDerWaalsContact C-N 3.26Å; T91-K93 PolarHBondContact O-N 2.88Å; K93-I98 WeakPolarHBondContact O-CD1 3.44Å
94	T	45	Very low	41.8	Very low	48 Å²	48	78.8 Å²	78.8	29%	0.294	38%	0.378	S	S	.	.	S	Bend	trans	-64.4	139.9	172	51.8	0	0	0	0	110	T91 V92 S96 C97 I98 R157	T91-T94 WeakPolarHBondContact O-CB 3.2Å; T91-T94 WeakPolarHBondContact O-CG2 3.48Å; T91-T94 PolarHBondContact O-N 3.45Å; T91-T94 VanDerWaalsContact O-N 3.16Å; T91-T94 PolarHBondContact O-OG1 2.72Å; V92-T94 PolarHBondContact O-N 2.8Å; T94-S96 PolarHBondContact O-N 2.97Å; T94-S96 PolarHBondContact OG1-OG 3.09Å; T94-C97 PolarHBondContact O-N 3.33Å; T94-I98 PolarHBondContact O-N 2.95Å; T94-R157 PolarHBondContact OG1-NH1 3.24Å
95	Q	44.6	Very low	41.7	Very low	149 Å²	149	87.3 Å²	87.3	70%	0.696	41%	0.408	S	S	*	.	H	α-helix	trans	-50.8	-35.7	-176.6	-162.9	74.6	6.2	0	0	111.9	I98 Y99	Q95-I98 PolarHBondContact O-N 2.85Å; Q95-Y99 WeakPolarHBondContact O-CB 3.29Å; Q95-Y99 PolarHBondContact O-N 2.74Å
96	S	42.8	Very low	41.8	Very low	50 Å²	50	86.1 Å²	86.1	35%	0.35	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-40.1	175.4	54.1	0	0	0	0	114	T94 F100	T94-S96 PolarHBondContact O-N 2.97Å; T94-S96 PolarHBondContact OG1-OG 3.09Å; S96-F100 VanDerWaalsContact O-CB 3.29Å; S96-F100 WeakPolarHBondContact O-CB 3.36Å; S96-F100 PolarHBondContact O-N 3Å
97	C	39.1	Very low	41.5	Very low	5 Å²	5	83.6 Å²	83.6	3%	0.034	41%	0.406	C	S	.	.	H	α-helix	trans	-76.1	-34.2	176.1	-74.2	0	0	0	0	111.6	V92 T94 F100 C101	V92-C97 HydrophobicContact CG1-CB 4.27Å; V92-C97 WeakPolarHBondContact O-CB 3.28Å; T94-C97 PolarHBondContact O-N 3.33Å; C97-F100 WeakPolarHBondContact O-CB 3.49Å; C97-F100 PolarHBondContact O-N 3.08Å; C97-C101 WeakPolarHBondContact O-CB 3.45Å; C97-C101 PolarHBondContact O-N 2.96Å; C97-C101 PolarHBondContact O-SG 3.37Å
98	I	41.8	Very low	40.9	Very low	81 Å²	81	78.9 Å²	78.9	42%	0.415	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-44.4	171.5	-65.1	172.3	0	0	0	110.4	K93 T94 Q95 F100 C101 K102	K93-I98 WeakPolarHBondContact O-CD1 3.44Å; T94-I98 PolarHBondContact O-N 2.95Å; Q95-I98 PolarHBondContact O-N 2.85Å; I98-F100 VanDerWaalsContact C-N 3.33Å; I98-C101 PolarHBondContact O-N 3.02Å; I98-K102 WeakPolarHBondContact O-CB 3.45Å; I98-K102 PolarHBondContact O-N 3.26Å
99	Y	41.1	Very low	40.8	Very low	131 Å²	131	76.9 Å²	76.9	51%	0.514	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-41.6	175.4	-156.1	-94.1	0	0	0	110.6	Q95 K102 A103	Q95-Y99 WeakPolarHBondContact O-CB 3.29Å; Q95-Y99 PolarHBondContact O-N 2.74Å; Y99-K102 PolarHBondContact O-N 3.01Å; Y99-A103 WeakPolarHBondContact O-CB 3.31Å; Y99-A103 PolarHBondContact O-N 2.99Å
100	F	42.5	Very low	40.5	Very low	27 Å²	27	85.3 Å²	85.3	12%	0.118	42%	0.424	C	S	.	.	H	α-helix	trans	-59.3	-50.7	170.5	174	-95.2	0	0	0	112.4	S96 C97 I98 K102 A103 F104 W130 W151	S96-F100 VanDerWaalsContact O-CB 3.29Å; S96-F100 WeakPolarHBondContact O-CB 3.36Å; S96-F100 PolarHBondContact O-N 3Å; C97-F100 WeakPolarHBondContact O-CB 3.49Å; C97-F100 PolarHBondContact O-N 3.08Å; I98-F100 VanDerWaalsContact C-N 3.33Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 3.23Å; F100-A103 PolarHBondContact O-N 3.05Å; F100-F104 WeakPolarHBondContact O-CB 3.46Å; F100-F104 PolarHBondContact O-N 3.15Å; F100-W130 AromaticContact CZ-NE1 3.99Å; F100-W151 HydrophobicContact CD2-CE3 4.4Å; F100-W151 HydrophobicContact CE1-CE3 4.27Å; F100-W151 HydrophobicContact CE1-CZ3 4.3Å; F100-W151 HydrophobicContact CE2-CB 4.29Å; F100-W151 HydrophobicContact CE2-CD2 4.24Å; F100-W151 AromaticContact CE2-CE3 3.39Å; F100-W151 HydrophobicContact CE2-CE3 3.39Å; F100-W151 HydrophobicContact CE2-CZ3 4.08Å; F100-W151 HydrophobicContact CZ-CD2 4.49Å; F100-W151 AromaticContact CZ-CE3 3.31Å; F100-W151 HydrophobicContact CZ-CE3 3.31Å; F100-W151 AromaticContact CZ-CZ3 3.51Å; F100-W151 HydrophobicContact CZ-CZ3 3.51Å
101	C	42.4	Very low	39.6	Very low	65 Å²	65	85.6 Å²	85.6	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-64.2	-33.1	178.2	-70.3	0	0	0	0	112.7	C97 I98 R105	C97-C101 WeakPolarHBondContact O-CB 3.45Å; C97-C101 PolarHBondContact O-N 2.96Å; C97-C101 PolarHBondContact O-SG 3.37Å; I98-C101 PolarHBondContact O-N 3.02Å; C101-R105 PolarHBondContact O-N 2.95Å
102	K	42.9	Very low	39.1	Very low	116 Å²	116	89.1 Å²	89.1	50%	0.504	44%	0.444	S	S	.	.	H	α-helix	trans	-72.9	-48.9	177.2	-173.4	179.2	170.8	-174.6	0	111	I98 Y99 F100 F104 R105 E106	I98-K102 WeakPolarHBondContact O-CB 3.45Å; I98-K102 PolarHBondContact O-N 3.26Å; Y99-K102 PolarHBondContact O-N 3.01Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 3.23Å; K102-F104 VanDerWaalsContact C-N 3.29Å; K102-F104 PolarHBondContact O-N 3.32Å; K102-R105 CarbonylContact O-C 3.58Å; K102-R105 WeakPolarHBondContact O-CB 3.19Å; K102-R105 PolarHBondContact O-N 2.91Å; K102-R105 VanDerWaalsContact O-N 3.11Å; K102-E106 WeakPolarHBondContact CE-OE1 3.31Å; K102-E106 HydrophobicContact CG-CG 4.45Å; K102-E106 IonicContact NZ-OE1 3.81Å; K102-E106 WeakPolarHBondContact O-CB 3.28Å; K102-E106 WeakPolarHBondContact O-CG 3.12Å; K102-E106 PolarHBondContact O-N 2.84Å
103	A	42.2	Very low	38.6	Very low	9 Å²	9	89.5 Å²	89.5	7%	0.074	46%	0.456	C	S	.	.	H	α-helix	trans	-62.2	-36	173.3	0	0	0	0	0	111.9	Y99 F100 E106 N107 L147	Y99-A103 WeakPolarHBondContact O-CB 3.31Å; Y99-A103 PolarHBondContact O-N 2.99Å; F100-A103 PolarHBondContact O-N 3.05Å; A103-E106 PolarHBondContact O-N 3.31Å; A103-N107 WeakPolarHBondContact O-CB 3.31Å; A103-N107 PolarHBondContact O-N 2.89Å; A103-N107 PolarHBondContact O-ND2 3.39Å; A103-L147 HydrophobicContact CB-CD1 3.99Å; A103-L147 HydrophobicContact CB-CD2 4.27Å; A103-L147 HydrophobicContact CB-CG 4.4Å
104	F	42	Very low	37.9	Very low	58 Å²	58	88.6 Å²	88.6	25%	0.254	46%	0.463	S	S	.	.	H	α-helix	trans	-60.8	-48.1	170.6	-174.4	-92.2	0	0	0	110.6	F100 K102 E106 C108 M111 W129 W130	F100-F104 WeakPolarHBondContact O-CB 3.46Å; F100-F104 PolarHBondContact O-N 3.15Å; K102-F104 VanDerWaalsContact C-N 3.29Å; K102-F104 PolarHBondContact O-N 3.32Å; F104-E106 PolarHBondContact O-N 2.76Å; F104-C108 WeakPolarHBondContact O-CA 3.38Å; F104-C108 WeakPolarHBondContact O-CB 3.36Å; F104-C108 PolarHBondContact O-N 2.88Å; F104-C108 PolarHBondContact O-SG 3.31Å; F104-C108 VanDerWaalsContact O-SG 3.32Å; F104-M111 HydrophobicContact CE1-CE 4.1Å; F104-M111 HydrophobicContact CZ-CE 4.31Å; F104-W129 HydrophobicContact CE2-CZ3 4.36Å; F104-W129 HydrophobicContact CZ-CZ3 4.43Å; F104-W130 AromaticContact CD2-CE2 3.82Å; F104-W130 AromaticContact CD2-CH2 3.74Å; F104-W130 HydrophobicContact CD2-CH2 3.74Å; F104-W130 AromaticContact CD2-CZ2 3.31Å; F104-W130 HydrophobicContact CD2-CZ2 3.31Å; F104-W130 HydrophobicContact CE2-CD2 4.11Å; F104-W130 AromaticContact CE2-CE2 3.66Å; F104-W130 HydrophobicContact CE2-CE3 4.3Å; F104-W130 AromaticContact CE2-CH2 3.71Å; F104-W130 HydrophobicContact CE2-CH2 3.71Å; F104-W130 AromaticContact CE2-CZ2 3.49Å; F104-W130 HydrophobicContact CE2-CZ2 3.49Å; F104-W130 VanDerWaalsContact CE2-CZ2 3.49Å; F104-W130 HydrophobicContact CE2-CZ3 4.1Å
105	R	40	Very low	37	Very low	212 Å²	212	90.6 Å²	90.6	80%	0.8	48%	0.475	S	S	*	.	H	α-helix	trans	-63	-39	174.7	-91.9	-176.4	176	171	-0.7	113.9	C101 K102	C101-R105 PolarHBondContact O-N 2.95Å; K102-R105 CarbonylContact O-C 3.58Å; K102-R105 WeakPolarHBondContact O-CB 3.19Å; K102-R105 PolarHBondContact O-N 2.91Å; K102-R105 VanDerWaalsContact O-N 3.11Å
106	E	41.3	Very low	36.1	Very low	126 Å²	126	91.5 Å²	91.5	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-80.1	-39.1	-174.8	-73	172.4	169.9	0	0	112.1	K102 A103 F104	K102-E106 WeakPolarHBondContact CE-OE1 3.31Å; K102-E106 HydrophobicContact CG-CG 4.45Å; K102-E106 IonicContact NZ-OE1 3.81Å; K102-E106 WeakPolarHBondContact O-CB 3.28Å; K102-E106 WeakPolarHBondContact O-CG 3.12Å; K102-E106 PolarHBondContact O-N 2.84Å; A103-E106 PolarHBondContact O-N 3.31Å; F104-E106 PolarHBondContact O-N 2.76Å
107	N	40.9	Very low	35.6	Very low	103 Å²	103	96.2 Å²	96.2	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-84.5	-30	177.3	-70.8	-35.4	0	0	0	112.9	A103 G109	A103-N107 WeakPolarHBondContact O-CB 3.31Å; A103-N107 PolarHBondContact O-N 2.89Å; A103-N107 PolarHBondContact O-ND2 3.39Å; N107-G109 PolarHBondContact O-N 3.18Å; N107-G109 VanDerWaalsContact O-N 3.16Å
108	C	35.3	Very low	35.2	Very low	13 Å²	13	99 Å²	99	9%	0.088	54%	0.536	C	S	.	.			trans	-87.4	56.8	169.1	-55.1	0	0	0	0	110.5	F104 F110 M111 W130	F104-C108 WeakPolarHBondContact O-CA 3.38Å; F104-C108 WeakPolarHBondContact O-CB 3.36Å; F104-C108 PolarHBondContact O-N 2.88Å; F104-C108 PolarHBondContact O-SG 3.31Å; F104-C108 VanDerWaalsContact O-SG 3.32Å; C108-F110 PolarHBondContact O-N 2.83Å; C108-M111 PolarHBondContact O-N 2.93Å; C108-W130 WeakPolarHBondContact SG-CH2 3.17Å
109	G	34.5	Very low	34.8	Very low	48 Å²	48	98.9 Å²	98.9	50%	0.495	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	13.9	168.6	0	0	0	0	0	115.2	N107	N107-G109 PolarHBondContact O-N 3.18Å; N107-G109 VanDerWaalsContact O-N 3.16Å
110	F	29.5	Very low	34.5	Very low	198 Å²	198	100.8 Å²	100.8	87%	0.868	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-3.4	178.6	-121.9	-88	0	0	0	114.9	C108	C108-F110 PolarHBondContact O-N 2.83Å
111	M	26.9	Very low	34.2	Very low	114 Å²	114	105.7 Å²	105.7	56%	0.562	59%	0.585	S	S	*	*			trans	-109.2	30.1	170.5	-74.4	-153.6	-85.7	0	0	113.2	F104 C108 G113 V115	F104-M111 HydrophobicContact CE1-CE 4.1Å; F104-M111 HydrophobicContact CZ-CE 4.31Å; C108-M111 PolarHBondContact O-N 2.93Å; M111-G113 PolarHBondContact O-N 3.41Å; M111-V115 HydrophobicContact SD-CG2 4.03Å
112	T	30.5	Very low	34	Very low	129 Å²	129	105.6 Å²	105.6	79%	0.791	59%	0.585	S	S	*	*			trans	-77.3	-1.2	163.5	48.5	0	0	0	0	112.8	T114	T112-T114 PolarHBondContact O-N 3.4Å
113	G	25.2	Very low	34	Very low	47 Å²	47	105.2 Å²	105.2	49%	0.485	59%	0.588	S	S	.	*	S	Bend	trans	-76	114.4	157.2	0	0	0	0	0	108.8	M111 V115	M111-G113 PolarHBondContact O-N 3.41Å; G113-V115 PolarHBondContact O-N 3.01Å
114	T	24.7	Very low	34.2	Very low	131 Å²	131	112 Å²	112	80%	0.804	62%	0.619	S	S	*	*			trans	-26	102	165.2	35.7	0	0	0	0	112.2	T112 E116	T112-T114 PolarHBondContact O-N 3.4Å; T114-E116 PolarHBondContact O-N 3.46Å
115	V	28	Very low	34.5	Very low	91 Å²	91	111.4 Å²	111.4	55%	0.552	62%	0.621	S	S	*	*			trans	-72.1	83.4	166.6	-178.6	0	0	0	0	105.9	M111 G113 T117	M111-V115 HydrophobicContact SD-CG2 4.03Å; G113-V115 PolarHBondContact O-N 3.01Å; V115-T117 PolarHBondContact O-N 2.81Å
116	E	24.6	Very low	34.7	Very low	167 Å²	167	104.3 Å²	104.3	78%	0.78	60%	0.602	S	S	*	*			trans	-50.1	123	153.1	-73.2	-177.9	157.8	0	0	106.6	T114 G118	T114-E116 PolarHBondContact O-N 3.46Å; E116-G118 VanDerWaalsContact C-N 3.33Å; E116-G118 PolarHBondContact O-N 3.12Å
117	T	32.8	Very low	35	Very low	149 Å²	149	102.9 Å²	102.9	91%	0.914	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	92.9	177.2	47.8	0	0	0	0	109.4	V115	V115-T117 PolarHBondContact O-N 2.81Å
118	G	30.2	Very low	35.7	Very low	63 Å²	63	100.8 Å²	100.8	65%	0.649	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.1	-8.5	-174.7	0	0	0	0	0	117.9	E116 N120	E116-G118 VanDerWaalsContact C-N 3.33Å; E116-G118 PolarHBondContact O-N 3.12Å; G118-N120 PolarHBondContact O-N 2.89Å; G118-N120 VanDerWaalsContact O-N 3.16Å
119	S	34.4	Very low	36.8	Very low	80 Å²	80	106.3 Å²	106.3	56%	0.559	61%	0.611	S	S	*	*			trans	-78.4	104.1	171.9	54.9	0	0	0	0	110.2	E121	S119-E121 PolarHBondContact O-N 3.42Å
120	N	34.9	Very low	37.5	Very low	170 Å²	170	104.8 Å²	104.8	91%	0.909	59%	0.59	S	S	*	*			trans	-68.8	54.3	167.8	-78.8	-24.6	0	0	0	111.2	G118	G118-N120 PolarHBondContact O-N 2.89Å; G118-N120 VanDerWaalsContact O-N 3.16Å
121	E	35.4	Very low	38.8	Very low	130 Å²	130	101.1 Å²	101.1	61%	0.607	58%	0.576	S	S	*	*			trans	-74.7	124.6	166.7	-77.4	-173.4	-177.2	0	0	108.3	S119 S125 V126	S119-E121 PolarHBondContact O-N 3.42Å; E121-S125 WeakPolarHBondContact CB-OG 3.36Å; E121-V126 HydrophobicContact CB-CG2 4.3Å
122	S	38.5	Very low	40.4	Very low	64 Å²	64	99.1 Å²	99.1	45%	0.448	57%	0.573	S	S	.	*			trans	-69.4	154.1	176.4	60.9	0	0	0	0	109.8	E124 S125 V126	S122-E124 PolarHBondContact O-N 2.88Å; S122-S125 PolarHBondContact N-OG 2.72Å; S122-S125 PolarHBondContact O-N 2.99Å; S122-S125 PolarHBondContact O-OG 2.86Å; S122-S125 PolarHBondContact OG-N 2.89Å; S122-V126 PolarHBondContact O-N 3.33Å
123	D	41.7	Very low	41.7	Very low	108 Å²	108	94.5 Å²	94.5	58%	0.578	54%	0.542	S	S	*	.	H	α-helix	trans	-50.1	-35.2	174.2	-89.6	-33.7	0	0	0	111.9	E127 R158	D123-E127 WeakPolarHBondContact O-CG 3.43Å; D123-E127 PolarHBondContact O-N 2.66Å; D123-E127 VanDerWaalsContact O-N 3.11Å; D123-R158 IonicContact OD1-NH2 2.91Å; D123-R158 PolarHBondContact OD1-NH2 2.98Å; D123-R158 IonicContact OD2-NH2 2.78Å; D123-R158 PolarHBondContact OD2-NH2 2.78Å
124	E	47.9	Very low	43	Very low	152 Å²	152	93.7 Å²	93.7	71%	0.71	53%	0.526	S	S	*	.	H	α-helix	trans	-66.7	-37.3	176.8	-67.5	175.7	170.1	0	0	113.6	S122 E127 A128	S122-E124 PolarHBondContact O-N 2.88Å; E124-E127 PolarHBondContact O-N 3Å; E124-A128 WeakPolarHBondContact O-CB 3.3Å; E124-A128 PolarHBondContact O-N 2.84Å
125	S	46.8	Very low	44.8	Very low	44 Å²	44	94 Å²	94	31%	0.308	52%	0.516	S	S	.	.	H	α-helix	trans	-71.3	-36.1	179.6	67.1	0	0	0	0	112	E121 S122 A128 W129	E121-S125 WeakPolarHBondContact CB-OG 3.36Å; S122-S125 PolarHBondContact N-OG 2.72Å; S122-S125 PolarHBondContact O-N 2.99Å; S122-S125 PolarHBondContact O-OG 2.86Å; S122-S125 PolarHBondContact OG-N 2.89Å; S125-A128 PolarHBondContact O-N 2.94Å; S125-W129 WeakPolarHBondContact O-CB 3.26Å; S125-W129 PolarHBondContact O-N 3.29Å
126	V	45.6	Very low	46.3	Very low	64 Å²	64	95.5 Å²	95.5	39%	0.388	52%	0.517	S	S	.	.	H	α-helix	trans	-65.6	-43.1	173.8	-179.5	0	0	0	0	110.3	E121 S122 W130	E121-V126 HydrophobicContact CB-CG2 4.3Å; S122-V126 PolarHBondContact O-N 3.33Å; V126-W130 WeakPolarHBondContact O-CB 3.46Å; V126-W130 PolarHBondContact O-N 2.79Å; V126-W130 VanDerWaalsContact O-N 3.1Å
127	E	47.4	Very low	47.7	Very low	96 Å²	96	90 Å²	90	45%	0.449	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.5	-76.6	-177.3	177.1	0	0	112.1	D123 E124 W130 E131 R158	D123-E127 WeakPolarHBondContact O-CG 3.43Å; D123-E127 PolarHBondContact O-N 2.66Å; D123-E127 VanDerWaalsContact O-N 3.11Å; E124-E127 PolarHBondContact O-N 3Å; E127-W130 PolarHBondContact O-N 2.85Å; E127-E131 PolarHBondContact O-N 3.05Å; E127-R158 IonicContact OE1-CZ 2.93Å; E127-R158 IonicContact OE1-NH1 3.71Å
128	A	56.1	Low	48.7	Very low	59 Å²	59	87.1 Å²	87.1	49%	0.488	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-43.6	179.6	0	0	0	0	0	113	E124 S125 W130 S132	E124-A128 WeakPolarHBondContact O-CB 3.3Å; E124-A128 PolarHBondContact O-N 2.84Å; S125-A128 PolarHBondContact O-N 2.94Å; A128-W130 PolarHBondContact O-N 3.37Å; A128-S132 PolarHBondContact O-N 2.8Å; A128-S132 VanDerWaalsContact O-N 3.14Å
129	W	57.6	Low	50.1	Low	129 Å²	129	88 Å²	88	49%	0.489	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-38.9	174.7	-179.9	79.9	0	0	0	111.1	F104 S125 S132 F133	F104-W129 HydrophobicContact CE2-CZ3 4.36Å; F104-W129 HydrophobicContact CZ-CZ3 4.43Å; S125-W129 WeakPolarHBondContact O-CB 3.26Å; S125-W129 PolarHBondContact O-N 3.29Å; W129-S132 WeakPolarHBondContact O-CB 3.09Å; W129-S132 PolarHBondContact O-N 3.49Å; W129-F133 PolarHBondContact O-N 3.45Å
130	W	49.7	Very low	51.1	Low	16 Å²	16	88.3 Å²	88.3	6%	0.061	47%	0.466	C	S	.	.	H	α-helix	trans	-77.9	-35.3	-176.9	-145.1	-139.4	0	0	0	114.1	F100 F104 C108 V126 E127 A128 S132 F133 L134 W151	F100-W130 AromaticContact CZ-NE1 3.99Å; F104-W130 AromaticContact CD2-CE2 3.82Å; F104-W130 AromaticContact CD2-CH2 3.74Å; F104-W130 HydrophobicContact CD2-CH2 3.74Å; F104-W130 AromaticContact CD2-CZ2 3.31Å; F104-W130 HydrophobicContact CD2-CZ2 3.31Å; F104-W130 HydrophobicContact CE2-CD2 4.11Å; F104-W130 AromaticContact CE2-CE2 3.66Å; F104-W130 HydrophobicContact CE2-CE3 4.3Å; F104-W130 AromaticContact CE2-CH2 3.71Å; F104-W130 HydrophobicContact CE2-CH2 3.71Å; F104-W130 AromaticContact CE2-CZ2 3.49Å; F104-W130 HydrophobicContact CE2-CZ2 3.49Å; F104-W130 VanDerWaalsContact CE2-CZ2 3.49Å; F104-W130 HydrophobicContact CE2-CZ3 4.1Å; C108-W130 WeakPolarHBondContact SG-CH2 3.17Å; V126-W130 WeakPolarHBondContact O-CB 3.46Å; V126-W130 PolarHBondContact O-N 2.79Å; V126-W130 VanDerWaalsContact O-N 3.1Å; E127-W130 PolarHBondContact O-N 2.85Å; A128-W130 PolarHBondContact O-N 3.37Å; W130-S132 PolarHBondContact O-N 2.93Å; W130-F133 HydrophobicContact CD2-CB 4.24Å; W130-F133 HydrophobicContact CD2-CD1 4.18Å; W130-F133 HydrophobicContact CD2-CG 4.46Å; W130-F133 HydrophobicContact CE3-CB 3.32Å; W130-F133 AromaticContact CE3-CD1 3.6Å; W130-F133 HydrophobicContact CE3-CD1 3.6Å; W130-F133 HydrophobicContact CE3-CD2 4.36Å; W130-F133 HydrophobicContact CE3-CE1 4.48Å; W130-F133 AromaticContact CE3-CG 3.52Å; W130-F133 HydrophobicContact CE3-CG 3.52Å; W130-F133 HydrophobicContact CH2-CB 4.43Å; W130-F133 AromaticContact CH2-CD1 3.19Å; W130-F133 HydrophobicContact CH2-CD1 3.19Å; W130-F133 HydrophobicContact CH2-CD2 4.18Å; W130-F133 AromaticContact CH2-CE1 3.24Å; W130-F133 HydrophobicContact CH2-CE1 3.24Å; W130-F133 HydrophobicContact CH2-CE2 4.21Å; W130-F133 AromaticContact CH2-CG 3.69Å; W130-F133 HydrophobicContact CH2-CG 3.69Å; W130-F133 AromaticContact CH2-CZ 3.77Å; W130-F133 HydrophobicContact CH2-CZ 3.77Å; W130-F133 AromaticContact CZ2-CD1 3.78Å; W130-F133 HydrophobicContact CZ2-CD1 3.78Å; W130-F133 AromaticContact CZ2-CE1 3.87Å; W130-F133 HydrophobicContact CZ2-CE1 3.87Å; W130-F133 HydrophobicContact CZ3-CB 3.46Å; W130-F133 VanDerWaalsContact CZ3-CB 3.46Å; W130-F133 AromaticContact CZ3-CD1 3.09Å; W130-F133 HydrophobicContact CZ3-CD1 3.09Å; W130-F133 AromaticContact CZ3-CD2 3.59Å; W130-F133 HydrophobicContact CZ3-CD2 3.59Å; W130-F133 AromaticContact CZ3-CE1 3.62Å; W130-F133 HydrophobicContact CZ3-CE1 3.62Å; W130-F133 HydrophobicContact CZ3-CE2 4.05Å; W130-F133 AromaticContact CZ3-CG 3.07Å; W130-F133 HydrophobicContact CZ3-CG 3.07Å; W130-F133 HydrophobicContact CZ3-CZ 4.05Å; W130-F133 PolarHBondContact O-N 3.17Å; W130-L134 WeakPolarHBondContact O-CB 3.22Å; W130-L134 WeakPolarHBondContact O-CG 3.4Å; W130-L134 PolarHBondContact O-N 3.43Å; W130-W151 AromaticContact CD1-CH2 3.46Å; W130-W151 VanDerWaalsContact CD1-CH2 3.46Å; W130-W151 AromaticContact CD1-CZ2 3.72Å; W130-W151 AromaticContact CD1-CZ3 3.74Å; W130-W151 AromaticContact NE1-CZ3 3.92Å
131	E	56.2	Low	52.1	Low	121 Å²	121	88 Å²	88	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-57	-39.1	165.7	-77.9	-163.8	170.5	0	0	111.4	E127 K135	E127-E131 PolarHBondContact O-N 3.05Å; E131-K135 WeakPolarHBondContact O-CB 3.14Å; E131-K135 VanDerWaalsContact O-CG 3.28Å; E131-K135 WeakPolarHBondContact O-CG 3.3Å; E131-K135 PolarHBondContact O-N 2.91Å
132	S	60.3	Low	52.8	Low	71 Å²	71	88.5 Å²	88.5	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-66.6	-45.2	175.7	-169.4	0	0	0	0	112.2	A128 W129 W130 K135 Q136	A128-S132 PolarHBondContact O-N 2.8Å; A128-S132 VanDerWaalsContact O-N 3.14Å; W129-S132 WeakPolarHBondContact O-CB 3.09Å; W129-S132 PolarHBondContact O-N 3.49Å; W130-S132 PolarHBondContact O-N 2.93Å; S132-K135 PolarHBondContact O-N 3.2Å; S132-Q136 WeakPolarHBondContact O-CB 3.29Å; S132-Q136 PolarHBondContact O-N 2.94Å
133	F	57.8	Low	53.3	Low	33 Å²	33	87.2 Å²	87.2	15%	0.145	46%	0.455	C	S	.	.	H	α-helix	trans	-62.5	-44.1	177.3	176.2	-93.3	0	0	0	112.3	W129 W130 Q136 K137	W129-F133 PolarHBondContact O-N 3.45Å; W130-F133 HydrophobicContact CD2-CB 4.24Å; W130-F133 HydrophobicContact CD2-CD1 4.18Å; W130-F133 HydrophobicContact CD2-CG 4.46Å; W130-F133 HydrophobicContact CE3-CB 3.32Å; W130-F133 AromaticContact CE3-CD1 3.6Å; W130-F133 HydrophobicContact CE3-CD1 3.6Å; W130-F133 HydrophobicContact CE3-CD2 4.36Å; W130-F133 HydrophobicContact CE3-CE1 4.48Å; W130-F133 AromaticContact CE3-CG 3.52Å; W130-F133 HydrophobicContact CE3-CG 3.52Å; W130-F133 HydrophobicContact CH2-CB 4.43Å; W130-F133 AromaticContact CH2-CD1 3.19Å; W130-F133 HydrophobicContact CH2-CD1 3.19Å; W130-F133 HydrophobicContact CH2-CD2 4.18Å; W130-F133 AromaticContact CH2-CE1 3.24Å; W130-F133 HydrophobicContact CH2-CE1 3.24Å; W130-F133 HydrophobicContact CH2-CE2 4.21Å; W130-F133 AromaticContact CH2-CG 3.69Å; W130-F133 HydrophobicContact CH2-CG 3.69Å; W130-F133 AromaticContact CH2-CZ 3.77Å; W130-F133 HydrophobicContact CH2-CZ 3.77Å; W130-F133 AromaticContact CZ2-CD1 3.78Å; W130-F133 HydrophobicContact CZ2-CD1 3.78Å; W130-F133 AromaticContact CZ2-CE1 3.87Å; W130-F133 HydrophobicContact CZ2-CE1 3.87Å; W130-F133 HydrophobicContact CZ3-CB 3.46Å; W130-F133 VanDerWaalsContact CZ3-CB 3.46Å; W130-F133 AromaticContact CZ3-CD1 3.09Å; W130-F133 HydrophobicContact CZ3-CD1 3.09Å; W130-F133 AromaticContact CZ3-CD2 3.59Å; W130-F133 HydrophobicContact CZ3-CD2 3.59Å; W130-F133 AromaticContact CZ3-CE1 3.62Å; W130-F133 HydrophobicContact CZ3-CE1 3.62Å; W130-F133 HydrophobicContact CZ3-CE2 4.05Å; W130-F133 AromaticContact CZ3-CG 3.07Å; W130-F133 HydrophobicContact CZ3-CG 3.07Å; W130-F133 HydrophobicContact CZ3-CZ 4.05Å; W130-F133 PolarHBondContact O-N 3.17Å; F133-Q136 WeakPolarHBondContact O-CB 3.5Å; F133-Q136 PolarHBondContact O-N 3.1Å; F133-K137 HydrophobicContact CD1-CG 4.34Å; F133-K137 HydrophobicContact CE1-CG 3.82Å; F133-K137 HydrophobicContact CE2-CG 4.07Å; F133-K137 HydrophobicContact CZ-CG 3.68Å; F133-K137 PolarHBondContact O-N 3.17Å
134	L	52.1	Low	54	Low	29 Å²	29	86.2 Å²	86.2	15%	0.152	45%	0.45	C	S	.	.	H	α-helix	trans	-63.5	-42.4	177	-74.4	170.7	0	0	0	111.1	W130 Q136 K137 L138 L143 W151	W130-L134 WeakPolarHBondContact O-CB 3.22Å; W130-L134 WeakPolarHBondContact O-CG 3.4Å; W130-L134 PolarHBondContact O-N 3.43Å; L134-Q136 VanDerWaalsContact C-N 3.3Å; L134-Q136 PolarHBondContact O-N 3.17Å; L134-K137 PolarHBondContact O-N 3.32Å; L134-L138 VanDerWaalsContact O-CB 3.23Å; L134-L138 WeakPolarHBondContact O-CB 3.19Å; L134-L138 WeakPolarHBondContact O-CD1 3.4Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3Å; L134-L143 HydrophobicContact CD2-CD2 3.84Å; L134-W151 HydrophobicContact CD1-CD2 4.44Å; L134-W151 HydrophobicContact CD1-CG 4.29Å; L134-W151 VanDerWaalsContact CD1-NE1 3.31Å
135	K	63.1	Low	54.5	Low	138 Å²	138	84.7 Å²	84.7	60%	0.6	45%	0.45	S	S	*	.	H	α-helix	trans	-59.6	-40.9	173.1	-79.1	173.3	-176.4	165.8	0	111.9	E131 S132 A139	E131-K135 WeakPolarHBondContact O-CB 3.14Å; E131-K135 VanDerWaalsContact O-CG 3.28Å; E131-K135 WeakPolarHBondContact O-CG 3.3Å; E131-K135 PolarHBondContact O-N 2.91Å; S132-K135 PolarHBondContact O-N 3.2Å; K135-A139 PolarHBondContact O-N 2.8Å; K135-A139 VanDerWaalsContact O-N 3.14Å
136	Q	59.5	Low	54.7	Low	122 Å²	122	88.7 Å²	88.7	57%	0.57	46%	0.464	S	S	*	.	H	α-helix	trans	-66.2	-47.8	177.7	-169.7	176	4	0	0	111.7	S132 F133 L134 L138 A139 D140	S132-Q136 WeakPolarHBondContact O-CB 3.29Å; S132-Q136 PolarHBondContact O-N 2.94Å; F133-Q136 WeakPolarHBondContact O-CB 3.5Å; F133-Q136 PolarHBondContact O-N 3.1Å; L134-Q136 VanDerWaalsContact C-N 3.3Å; L134-Q136 PolarHBondContact O-N 3.17Å; Q136-L138 PolarHBondContact O-N 3.47Å; Q136-A139 WeakPolarHBondContact O-CB 3.29Å; Q136-A139 PolarHBondContact O-N 3.33Å; Q136-A139 VanDerWaalsContact O-N 3.09Å; Q136-D140 PolarHBondContact O-N 2.66Å; Q136-D140 VanDerWaalsContact O-N 3.13Å
137	K	54.6	Low	55	Low	51 Å²	51	87.4 Å²	87.4	22%	0.222	46%	0.455	C	S	.	.	H	α-helix	trans	-71.2	-26.7	178.6	-76.1	-59.5	-168.5	-176.5	0	114.4	F133 L134 A139 D140 E142 L143	F133-K137 HydrophobicContact CD1-CG 4.34Å; F133-K137 HydrophobicContact CE1-CG 3.82Å; F133-K137 HydrophobicContact CE2-CG 4.07Å; F133-K137 HydrophobicContact CZ-CG 3.68Å; F133-K137 PolarHBondContact O-N 3.17Å; L134-K137 PolarHBondContact O-N 3.32Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-D140 PolarHBondContact O-N 3.31Å; K137-E142 IonicContact NZ-OE2 3.45Å; K137-E142 PolarHBondContact NZ-OE2 3.46Å; K137-L143 HydrophobicContact CB-CB 4.43Å; K137-L143 HydrophobicContact CB-CD1 3.79Å; K137-L143 HydrophobicContact CG-CD1 4.29Å
138	L	53.4	Low	55.3	Low	90 Å²	90	88.8 Å²	88.8	47%	0.471	46%	0.456	S	S	.	.	H	α-helix	trans	-66.8	-32.9	167.9	-79.6	164.1	0	0	0	111.9	L134 Q136 D140	L134-L138 VanDerWaalsContact O-CB 3.23Å; L134-L138 WeakPolarHBondContact O-CB 3.19Å; L134-L138 WeakPolarHBondContact O-CD1 3.4Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3Å; Q136-L138 PolarHBondContact O-N 3.47Å; L138-D140 VanDerWaalsContact C-N 3.34Å
139	A	59.8	Low	55.3	Low	82 Å²	82	88.7 Å²	88.7	68%	0.678	45%	0.452	S	S	*	.	H	α-helix	trans	-73.8	-27.8	174.9	0	0	0	0	0	112.4	K135 Q136 K137 D141	K135-A139 PolarHBondContact O-N 2.8Å; K135-A139 VanDerWaalsContact O-N 3.14Å; Q136-A139 WeakPolarHBondContact O-CB 3.29Å; Q136-A139 PolarHBondContact O-N 3.33Å; Q136-A139 VanDerWaalsContact O-N 3.09Å; K137-A139 VanDerWaalsContact C-N 3.31Å; A139-D141 VanDerWaalsContact C-N 3.34Å
140	D	55.9	Low	55.1	Low	86 Å²	86	83.3 Å²	83.3	46%	0.46	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.9	-179.1	-67.1	-20	0	0	0	114	Q136 K137 L138 E142	Q136-D140 PolarHBondContact O-N 2.66Å; Q136-D140 VanDerWaalsContact O-N 3.13Å; K137-D140 PolarHBondContact O-N 3.31Å; L138-D140 VanDerWaalsContact C-N 3.34Å; D140-E142 HydrophobicContact CB-CB 4.46Å; D140-E142 PolarHBondContact O-N 2.76Å
141	D	55.3	Low	55.1	Low	162 Å²	162	85.7 Å²	85.7	87%	0.866	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	15.9	-177.5	-100.4	-10.1	0	0	0	115	A139	A139-D141 VanDerWaalsContact C-N 3.34Å
142	E	49.8	Very low	55.1	Low	141 Å²	141	84.1 Å²	84.1	66%	0.659	44%	0.436	S	S	*	.			trans	-99.2	-3.7	-171.3	-105.3	-171.6	177.3	0	0	114.4	K137 D140 D144	K137-E142 IonicContact NZ-OE2 3.45Å; K137-E142 PolarHBondContact NZ-OE2 3.46Å; D140-E142 HydrophobicContact CB-CB 4.46Å; D140-E142 PolarHBondContact O-N 2.76Å; E142-D144 PolarHBondContact O-N 2.95Å
143	L	48.3	Very low	54.9	Low	38 Å²	38	83.8 Å²	83.8	20%	0.199	43%	0.429	C	S	.	.			trans	-87.7	108.9	-175.4	-150.6	84.9	0	0	0	111.7	L134 K137 V145 R148	L134-L143 HydrophobicContact CD2-CD2 3.84Å; K137-L143 HydrophobicContact CB-CB 4.43Å; K137-L143 HydrophobicContact CB-CD1 3.79Å; K137-L143 HydrophobicContact CG-CD1 4.29Å; L143-V145 PolarHBondContact O-N 3.46Å; L143-R148 HydrophobicContact CD2-CB 4.4Å
144	D	56.8	Low	54.4	Low	87 Å²	87	83.7 Å²	83.7	47%	0.465	43%	0.432	S	S	.	.			trans	-51.9	129.9	173.3	-169.1	-26.3	0	0	0	111.2	E142 E146 L147 R148	E142-D144 PolarHBondContact O-N 2.95Å; D144-E146 PolarHBondContact O-N 2.89Å; D144-E146 VanDerWaalsContact O-N 3.11Å; D144-E146 PolarHBondContact OD1-N 2.84Å; D144-L147 HydrophobicContact CB-CB 4.47Å; D144-L147 WeakPolarHBondContact O-CB 3.48Å; D144-L147 PolarHBondContact O-N 2.91Å; D144-R148 PolarHBondContact O-N 3.02Å
145	V	59	Low	54.3	Low	119 Å²	119	85.2 Å²	85.2	72%	0.721	44%	0.442	S	S	*	.	H	α-helix	trans	-52	-33	178.4	173.9	0	0	0	0	111.6	L143 R148 S149	L143-V145 PolarHBondContact O-N 3.46Å; V145-R148 PolarHBondContact O-N 3.09Å; V145-S149 PolarHBondContact O-N 2.94Å
146	E	51.3	Low	53.9	Low	129 Å²	129	84.8 Å²	84.8	60%	0.603	44%	0.442	S	S	*	.	H	α-helix	trans	-66.8	-38.6	176.7	-68.7	-165.1	164.4	0	0	112.7	D144 S149 A150	D144-E146 PolarHBondContact O-N 2.89Å; D144-E146 VanDerWaalsContact O-N 3.11Å; D144-E146 PolarHBondContact OD1-N 2.84Å; E146-S149 PolarHBondContact O-N 3.38Å; E146-A150 WeakPolarHBondContact O-CB 3.43Å; E146-A150 PolarHBondContact O-N 2.75Å
147	L	51.2	Low	53.5	Low	36 Å²	36	83.3 Å²	83.3	19%	0.188	43%	0.431	C	S	.	.	H	α-helix	trans	-67.1	-39.7	178.4	-121.8	136.3	0	0	0	111	A103 D144 A150 W151	A103-L147 HydrophobicContact CB-CD1 3.99Å; A103-L147 HydrophobicContact CB-CD2 4.27Å; A103-L147 HydrophobicContact CB-CG 4.4Å; D144-L147 HydrophobicContact CB-CB 4.47Å; D144-L147 WeakPolarHBondContact O-CB 3.48Å; D144-L147 PolarHBondContact O-N 2.91Å; L147-A150 PolarHBondContact O-N 2.86Å; L147-W151 PolarHBondContact O-N 3.26Å
148	R	53.1	Low	53.1	Low	126 Å²	126	85.7 Å²	85.7	48%	0.475	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-49.1	174.1	-174.2	176.2	176	170.2	4.2	111.6	L143 D144 V145 A150 W151 E152	L143-R148 HydrophobicContact CD2-CB 4.4Å; D144-R148 PolarHBondContact O-N 3.02Å; V145-R148 PolarHBondContact O-N 3.09Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.16Å; R148-W151 PolarHBondContact O-N 2.89Å; R148-E152 WeakPolarHBondContact CG-OE1 3.41Å; R148-E152 IonicContact CZ-OE1 3.88Å; R148-E152 IonicContact NE-OE1 2.76Å; R148-E152 PolarHBondContact NE-OE1 3.24Å; R148-E152 IonicContact NH2-OE1 2.63Å; R148-E152 WeakPolarHBondContact O-CG 3.36Å; R148-E152 PolarHBondContact O-N 2.89Å
149	S	57.5	Low	52.9	Low	57 Å²	57	83.6 Å²	83.6	40%	0.399	44%	0.435	S	S	.	.	H	α-helix	trans	-61	-41.3	176.7	179.2	0	0	0	0	112	V145 E146 W151 N153	V145-S149 PolarHBondContact O-N 2.94Å; E146-S149 PolarHBondContact O-N 3.38Å; S149-W151 PolarHBondContact O-N 2.78Å; S149-N153 VanDerWaalsContact O-CB 3.29Å; S149-N153 WeakPolarHBondContact O-CB 3.46Å; S149-N153 PolarHBondContact O-N 3.45Å; S149-N153 PolarHBondContact O-ND2 3.25Å; S149-N153 PolarHBondContact OG-ND2 3.07Å
150	A	51.5	Low	52.6	Low	15 Å²	15	86.7 Å²	86.7	12%	0.124	43%	0.433	C	S	.	.	H	α-helix	trans	-63.4	-40.8	176.9	0	0	0	0	0	112.2	E146 L147 R148 C154	E146-A150 WeakPolarHBondContact O-CB 3.43Å; E146-A150 PolarHBondContact O-N 2.75Å; L147-A150 PolarHBondContact O-N 2.86Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.16Å; A150-C154 WeakPolarHBondContact O-CB 3.19Å; A150-C154 PolarHBondContact O-N 2.82Å
151	W	50.4	Low	52	Low	67 Å²	67	85.6 Å²	85.6	25%	0.254	42%	0.424	S	S	.	.	H	α-helix	trans	-66.8	-52	175.5	173.9	-110.2	0	0	0	112.5	F100 W130 L134 L147 R148 S149 N153 C154 V155	F100-W151 HydrophobicContact CD2-CE3 4.4Å; F100-W151 HydrophobicContact CE1-CE3 4.27Å; F100-W151 HydrophobicContact CE1-CZ3 4.3Å; F100-W151 HydrophobicContact CE2-CB 4.29Å; F100-W151 HydrophobicContact CE2-CD2 4.24Å; F100-W151 AromaticContact CE2-CE3 3.39Å; F100-W151 HydrophobicContact CE2-CE3 3.39Å; F100-W151 HydrophobicContact CE2-CZ3 4.08Å; F100-W151 HydrophobicContact CZ-CD2 4.49Å; F100-W151 AromaticContact CZ-CE3 3.31Å; F100-W151 HydrophobicContact CZ-CE3 3.31Å; F100-W151 AromaticContact CZ-CZ3 3.51Å; F100-W151 HydrophobicContact CZ-CZ3 3.51Å; W130-W151 AromaticContact CD1-CH2 3.46Å; W130-W151 VanDerWaalsContact CD1-CH2 3.46Å; W130-W151 AromaticContact CD1-CZ2 3.72Å; W130-W151 AromaticContact CD1-CZ3 3.74Å; W130-W151 AromaticContact NE1-CZ3 3.92Å; L134-W151 HydrophobicContact CD1-CD2 4.44Å; L134-W151 HydrophobicContact CD1-CG 4.29Å; L134-W151 VanDerWaalsContact CD1-NE1 3.31Å; L147-W151 PolarHBondContact O-N 3.26Å; R148-W151 PolarHBondContact O-N 2.89Å; S149-W151 PolarHBondContact O-N 2.78Å; W151-N153 PolarHBondContact O-N 3.46Å; W151-C154 CarbonylContact O-C 3.57Å; W151-C154 WeakPolarHBondContact O-CA 3.48Å; W151-C154 WeakPolarHBondContact O-CB 3.44Å; W151-C154 PolarHBondContact O-N 2.66Å; W151-V155 HydrophobicContact CD2-CG2 3.65Å; W151-V155 HydrophobicContact CE3-CG2 4.1Å; W151-V155 HydrophobicContact CG-CG2 4.23Å; W151-V155 HydrophobicContact CH2-CG2 3.8Å; W151-V155 HydrophobicContact CZ2-CG2 3.28Å; W151-V155 HydrophobicContact CZ3-CG2 4.18Å; W151-V155 WeakPolarHBondContact O-CG2 3.5Å; W151-V155 PolarHBondContact O-N 3.39Å
152	E	56.6	Low	51.6	Low	88 Å²	88	80.5 Å²	80.5	41%	0.411	41%	0.405	S	S	.	.	H	α-helix	trans	-55.7	-41	179	-73.8	173.7	-176	0	0	110.7	R148 Q156	R148-E152 WeakPolarHBondContact CG-OE1 3.41Å; R148-E152 IonicContact CZ-OE1 3.88Å; R148-E152 IonicContact NE-OE1 2.76Å; R148-E152 PolarHBondContact NE-OE1 3.24Å; R148-E152 IonicContact NH2-OE1 2.63Å; R148-E152 WeakPolarHBondContact O-CG 3.36Å; R148-E152 PolarHBondContact O-N 2.89Å; E152-Q156 WeakPolarHBondContact O-CB 3.25Å; E152-Q156 VanDerWaalsContact O-CG 3.27Å; E152-Q156 WeakPolarHBondContact O-CG 3.48Å; E152-Q156 PolarHBondContact O-N 2.86Å
153	N	55	Low	51.7	Low	64 Å²	64	80.1 Å²	80.1	34%	0.342	40%	0.403	S	S	.	.	H	α-helix	trans	-63.9	-40.7	172.3	-80.8	-57.3	0	0	0	113.1	S149 W151 R157	S149-N153 VanDerWaalsContact O-CB 3.29Å; S149-N153 WeakPolarHBondContact O-CB 3.46Å; S149-N153 PolarHBondContact O-N 3.45Å; S149-N153 PolarHBondContact O-ND2 3.25Å; S149-N153 PolarHBondContact OG-ND2 3.07Å; W151-N153 PolarHBondContact O-N 3.46Å; N153-R157 WeakPolarHBondContact O-CB 3.38Å; N153-R157 WeakPolarHBondContact O-CD 3.25Å; N153-R157 WeakPolarHBondContact O-CG 3.49Å; N153-R157 PolarHBondContact O-N 2.93Å
154	C	48.5	Very low	51.7	Low	30 Å²	30	81.9 Å²	81.9	20%	0.203	41%	0.41	C	S	.	.	H	α-helix	trans	-66.9	-44.7	178.7	-160	0	0	0	0	111.6	A150 W151 R157 R158	A150-C154 WeakPolarHBondContact O-CB 3.19Å; A150-C154 PolarHBondContact O-N 2.82Å; W151-C154 CarbonylContact O-C 3.57Å; W151-C154 WeakPolarHBondContact O-CA 3.48Å; W151-C154 WeakPolarHBondContact O-CB 3.44Å; W151-C154 PolarHBondContact O-N 2.66Å; C154-R157 PolarHBondContact O-N 2.91Å; C154-R158 PolarHBondContact O-N 3.41Å
155	V	49.3	Very low	51.1	Low	61 Å²	61	80.4 Å²	80.4	37%	0.37	40%	0.404	S	S	.	.	H	α-helix	trans	-61.8	-49	176.2	173.6	0	0	0	0	111	W151 R157 R158 A159	W151-V155 HydrophobicContact CD2-CG2 3.65Å; W151-V155 HydrophobicContact CE3-CG2 4.1Å; W151-V155 HydrophobicContact CG-CG2 4.23Å; W151-V155 HydrophobicContact CH2-CG2 3.8Å; W151-V155 HydrophobicContact CZ2-CG2 3.28Å; W151-V155 HydrophobicContact CZ3-CG2 4.18Å; W151-V155 WeakPolarHBondContact O-CG2 3.5Å; W151-V155 PolarHBondContact O-N 3.39Å; V155-R157 VanDerWaalsContact C-N 3.27Å; V155-R157 PolarHBondContact O-N 2.64Å; V155-R158 PolarHBondContact O-N 3.01Å; V155-A159 WeakPolarHBondContact O-CB 3.34Å; V155-A159 PolarHBondContact O-N 3.39Å
156	Q	54.9	Low	50.8	Low	130 Å²	130	80.9 Å²	80.9	61%	0.607	40%	0.397	S	S	*	.	H	α-helix	trans	-59.5	-39.5	176.7	-75.2	-179.5	3.6	0	0	111.9	E152 K160	E152-Q156 WeakPolarHBondContact O-CB 3.25Å; E152-Q156 VanDerWaalsContact O-CG 3.27Å; E152-Q156 WeakPolarHBondContact O-CG 3.48Å; E152-Q156 PolarHBondContact O-N 2.86Å; Q156-K160 WeakPolarHBondContact O-CB 3.38Å; Q156-K160 PolarHBondContact O-N 3.44Å
157	R	51.1	Low	50.9	Low	91 Å²	91	81.2 Å²	81.2	34%	0.343	39%	0.392	S	S	.	.	H	α-helix	trans	-67.2	-41.2	176.1	-73.2	169.7	-171.8	-171.8	4.5	112.1	T94 N153 C154 V155 K160 F161	T94-R157 PolarHBondContact OG1-NH1 3.24Å; N153-R157 WeakPolarHBondContact O-CB 3.38Å; N153-R157 WeakPolarHBondContact O-CD 3.25Å; N153-R157 WeakPolarHBondContact O-CG 3.49Å; N153-R157 PolarHBondContact O-N 2.93Å; C154-R157 PolarHBondContact O-N 2.91Å; V155-R157 VanDerWaalsContact C-N 3.27Å; V155-R157 PolarHBondContact O-N 2.64Å; R157-K160 PolarHBondContact O-N 3.44Å; R157-F161 WeakPolarHBondContact O-CB 3.28Å; R157-F161 PolarHBondContact O-N 3.08Å
158	R	46.4	Very low	50.8	Low	100 Å²	100	80.9 Å²	80.9	38%	0.377	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-44.8	175	-171.1	-179.7	178.7	170.1	5	110.9	D123 E127 C154 V155 K160 F161 A162	D123-R158 IonicContact OD1-NH2 2.91Å; D123-R158 PolarHBondContact OD1-NH2 2.98Å; D123-R158 IonicContact OD2-NH2 2.78Å; D123-R158 PolarHBondContact OD2-NH2 2.78Å; E127-R158 IonicContact OE1-CZ 2.93Å; E127-R158 IonicContact OE1-NH1 3.71Å; C154-R158 PolarHBondContact O-N 3.41Å; V155-R158 PolarHBondContact O-N 3.01Å; R158-K160 PolarHBondContact O-N 3.26Å; R158-F161 PolarHBondContact O-N 3.38Å; R158-A162 WeakPolarHBondContact O-CB 3.37Å; R158-A162 PolarHBondContact O-N 3.16Å
159	A	49.2	Very low	50.5	Low	47 Å²	47	80.3 Å²	80.3	39%	0.388	39%	0.394	S	S	.	.	H	α-helix	trans	-60.4	-44	175.7	0	0	0	0	0	111.8	V155 A162 Q163	V155-A159 WeakPolarHBondContact O-CB 3.34Å; V155-A159 PolarHBondContact O-N 3.39Å; A159-A162 PolarHBondContact O-N 2.99Å; A159-Q163 WeakPolarHBondContact O-CB 3.49Å; A159-Q163 WeakPolarHBondContact O-CG 3.4Å; A159-Q163 PolarHBondContact O-N 3.07Å
160	K	53.3	Low	50.2	Low	147 Å²	147	82.2 Å²	82.2	64%	0.639	40%	0.397	S	S	*	.	H	α-helix	trans	-63.5	-41.4	175.5	-170.6	177.9	-178.6	179.3	0	112.2	Q156 R157 R158 Q163 E164	Q156-K160 WeakPolarHBondContact O-CB 3.38Å; Q156-K160 PolarHBondContact O-N 3.44Å; R157-K160 PolarHBondContact O-N 3.44Å; R158-K160 PolarHBondContact O-N 3.26Å; K160-Q163 PolarHBondContact O-N 3.43Å; K160-E164 PolarHBondContact O-N 2.89Å
161	F	44.4	Very low	50.1	Low	62 Å²	62	86.3 Å²	86.3	27%	0.272	42%	0.416	S	S	.	.	H	α-helix	trans	-62.4	-45.8	174.3	178.9	-93.2	0	0	0	111.6	L84 W88 R157 R158 Q163 E164 V165	L84-F161 HydrophobicContact CB-CE2 3.88Å; W88-F161 HydrophobicContact CB-CD2 4.16Å; W88-F161 HydrophobicContact CB-CE2 4.12Å; W88-F161 HydrophobicContact CG-CD2 4.37Å; R157-F161 WeakPolarHBondContact O-CB 3.28Å; R157-F161 PolarHBondContact O-N 3.08Å; R158-F161 PolarHBondContact O-N 3.38Å; F161-Q163 VanDerWaalsContact C-N 3.35Å; F161-Q163 PolarHBondContact O-N 3.47Å; F161-E164 PolarHBondContact O-N 3.34Å; F161-V165 HydrophobicContact CD1-CG2 4.08Å; F161-V165 HydrophobicContact CE1-CG2 3.69Å; F161-V165 HydrophobicContact CE2-CG2 4.47Å; F161-V165 HydrophobicContact CZ-CG2 3.91Å; F161-V165 WeakPolarHBondContact O-CG2 3.4Å; F161-V165 PolarHBondContact O-N 2.94Å
162	A	45.5	Very low	49.9	Very low	55 Å²	55	83.7 Å²	83.7	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-61.7	-41	177	0	0	0	0	0	112.2	R158 A159 V165 K166	R158-A162 WeakPolarHBondContact O-CB 3.37Å; R158-A162 PolarHBondContact O-N 3.16Å; A159-A162 PolarHBondContact O-N 2.99Å; A162-V165 PolarHBondContact O-N 3.45Å; A162-K166 WeakPolarHBondContact O-CB 3.45Å; A162-K166 PolarHBondContact O-N 3.41Å
163	Q	52.4	Low	49.6	Very low	134 Å²	134	84.6 Å²	84.6	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-61.4	-42.2	172.9	-75.8	176.2	-1.8	0	0	112.1	A159 K160 F161 K166 R167	A159-Q163 WeakPolarHBondContact O-CB 3.49Å; A159-Q163 WeakPolarHBondContact O-CG 3.4Å; A159-Q163 PolarHBondContact O-N 3.07Å; K160-Q163 PolarHBondContact O-N 3.43Å; F161-Q163 VanDerWaalsContact C-N 3.35Å; F161-Q163 PolarHBondContact O-N 3.47Å; Q163-K166 PolarHBondContact O-N 3.27Å; Q163-R167 WeakPolarHBondContact O-CB 3.42Å; Q163-R167 PolarHBondContact O-N 2.93Å
164	E	48.8	Very low	49.2	Very low	75 Å²	75	85.4 Å²	85.4	35%	0.35	42%	0.419	S	S	.	.	H	α-helix	trans	-69	-39.6	179.2	-160	63.2	-160.4	0	0	111.8	K160 F161 R167 I168	K160-E164 PolarHBondContact O-N 2.89Å; F161-E164 PolarHBondContact O-N 3.34Å; E164-R167 PolarHBondContact O-N 3.03Å; E164-I168 WeakPolarHBondContact O-CB 3.22Å; E164-I168 VanDerWaalsContact O-CG1 3.29Å; E164-I168 WeakPolarHBondContact O-CG1 3.4Å; E164-I168 PolarHBondContact O-N 3.49Å
165	V	44.4	Very low	49.1	Very low	56 Å²	56	87.8 Å²	87.8	34%	0.339	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-45	171.6	171.3	0	0	0	0	110.8	F161 A162 I168 M169	F161-V165 HydrophobicContact CD1-CG2 4.08Å; F161-V165 HydrophobicContact CE1-CG2 3.69Å; F161-V165 HydrophobicContact CE2-CG2 4.47Å; F161-V165 HydrophobicContact CZ-CG2 3.91Å; F161-V165 WeakPolarHBondContact O-CG2 3.4Å; F161-V165 PolarHBondContact O-N 2.94Å; A162-V165 PolarHBondContact O-N 3.45Å; V165-I168 PolarHBondContact O-N 2.98Å; V165-M169 PolarHBondContact O-N 3.36Å
166	K	52.6	Low	49	Very low	129 Å²	129	88.6 Å²	88.6	56%	0.561	43%	0.429	S	S	*	.	H	α-helix	trans	-60.8	-45.5	176.2	-171.6	-178.7	-179	-171.9	0	111.3	A162 Q163 I168 M169 E170	A162-K166 WeakPolarHBondContact O-CB 3.45Å; A162-K166 PolarHBondContact O-N 3.41Å; Q163-K166 PolarHBondContact O-N 3.27Å; K166-I168 VanDerWaalsContact C-N 3.32Å; K166-I168 PolarHBondContact O-N 3.03Å; K166-M169 WeakPolarHBondContact O-CB 3.33Å; K166-M169 PolarHBondContact O-N 2.81Å; K166-M169 VanDerWaalsContact O-N 3.13Å; K166-E170 WeakPolarHBondContact CE-OE1 3.49Å; K166-E170 HydrophobicContact CG-CG 4.49Å; K166-E170 IonicContact NZ-OE1 3.16Å; K166-E170 WeakPolarHBondContact O-CB 3.42Å; K166-E170 WeakPolarHBondContact O-CG 3.26Å; K166-E170 PolarHBondContact O-N 3.37Å
167	R	53.7	Low	49.1	Very low	135 Å²	135	89.6 Å²	89.6	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-39.4	176.7	-169.2	-179.5	-172.4	-170.1	1.4	112.1	Q163 E164 E170 L171	Q163-R167 WeakPolarHBondContact O-CB 3.42Å; Q163-R167 PolarHBondContact O-N 2.93Å; E164-R167 PolarHBondContact O-N 3.03Å; R167-E170 PolarHBondContact O-N 2.91Å; R167-L171 WeakPolarHBondContact O-CB 3.39Å; R167-L171 VanDerWaalsContact O-CG 3.28Å; R167-L171 WeakPolarHBondContact O-CG 3.41Å; R167-L171 PolarHBondContact O-N 3.45Å
168	I	47.1	Very low	48.9	Very low	29 Å²	29	90.6 Å²	90.6	15%	0.149	44%	0.443	C	S	.	.	H	α-helix	trans	-62.9	-46.6	173.5	-73.2	172.1	0	0	0	110.4	L84 E164 V165 K166 E170 L171 Y172	L84-I168 HydrophobicContact CD1-CD1 3.3Å; E164-I168 WeakPolarHBondContact O-CB 3.22Å; E164-I168 VanDerWaalsContact O-CG1 3.29Å; E164-I168 WeakPolarHBondContact O-CG1 3.4Å; E164-I168 PolarHBondContact O-N 3.49Å; V165-I168 PolarHBondContact O-N 2.98Å; K166-I168 VanDerWaalsContact C-N 3.32Å; K166-I168 PolarHBondContact O-N 3.03Å; I168-E170 VanDerWaalsContact C-N 3.34Å; I168-E170 PolarHBondContact O-N 3.23Å; I168-L171 WeakPolarHBondContact O-CB 3.5Å; I168-L171 PolarHBondContact O-N 3.34Å; I168-Y172 HydrophobicContact CG2-CD2 3.81Å; I168-Y172 HydrophobicContact CG2-CE2 3.58Å; I168-Y172 WeakPolarHBondContact O-CD2 3.42Å; I168-Y172 PolarHBondContact O-N 2.88Å; I168-Y172 VanDerWaalsContact O-N 3.11Å
169	M	46.9	Very low	49	Very low	114 Å²	114	88 Å²	88	56%	0.562	44%	0.436	S	S	*	.	H	α-helix	trans	-60	-43.6	175.4	-74	-172.4	53	0	0	112.4	V165 K166 L171 Y172 Q173	V165-M169 PolarHBondContact O-N 3.36Å; K166-M169 WeakPolarHBondContact O-CB 3.33Å; K166-M169 PolarHBondContact O-N 2.81Å; K166-M169 VanDerWaalsContact O-N 3.13Å; M169-L171 VanDerWaalsContact C-N 3.31Å; M169-L171 PolarHBondContact O-N 2.96Å; M169-Y172 PolarHBondContact O-N 2.88Å; M169-Q173 PolarHBondContact O-N 3.27Å
170	E	52.3	Low	49.1	Very low	97 Å²	97	90.1 Å²	90.1	45%	0.453	44%	0.441	S	S	.	.	H	α-helix	trans	-64.3	-31.3	175.8	-73.2	172	177.5	0	0	112.5	K166 R167 I168 P174	K166-E170 WeakPolarHBondContact CE-OE1 3.49Å; K166-E170 HydrophobicContact CG-CG 4.49Å; K166-E170 IonicContact NZ-OE1 3.16Å; K166-E170 WeakPolarHBondContact O-CB 3.42Å; K166-E170 WeakPolarHBondContact O-CG 3.26Å; K166-E170 PolarHBondContact O-N 3.37Å; R167-E170 PolarHBondContact O-N 2.91Å; I168-E170 VanDerWaalsContact C-N 3.34Å; I168-E170 PolarHBondContact O-N 3.23Å; E170-P174 WeakPolarHBondContact O-CD 3.39Å
171	L	49.5	Very low	49.2	Very low	101 Å²	101	86 Å²	86	53%	0.529	43%	0.431	S	S	.	.	H	α-helix	trans	-70.9	-37.2	173.7	-79.1	166	0	0	0	112.5	R167 I168 M169	R167-L171 WeakPolarHBondContact O-CB 3.39Å; R167-L171 VanDerWaalsContact O-CG 3.28Å; R167-L171 WeakPolarHBondContact O-CG 3.41Å; R167-L171 PolarHBondContact O-N 3.45Å; I168-L171 WeakPolarHBondContact O-CB 3.5Å; I168-L171 PolarHBondContact O-N 3.34Å; M169-L171 VanDerWaalsContact C-N 3.31Å; M169-L171 PolarHBondContact O-N 2.96Å
172	Y	45.7	Very low	49.3	Very low	13 Å²	13	86.8 Å²	86.8	5%	0.051	44%	0.441	C	S	.	.	H	α-helix	trans	-80.3	-26.1	179.2	-74.2	-76.8	0	0	0	113.2	L73 D76 R77 R80 I168 M169 I175 E176	L73-Y172 HydrophobicContact CD2-CD1 4.02Å; L73-Y172 HydrophobicContact CD2-CE1 3.97Å; D76-Y172 PolarHBondContact OD2-OH 2.83Å; R77-Y172 HydrophobicContact CG-CD2 4.17Å; R77-Y172 HydrophobicContact CG-CE2 3.95Å; R80-Y172 WeakPolarHBondContact CD-OH 3.48Å; R80-Y172 PolarHBondContact NE-OH 2.72Å; I168-Y172 HydrophobicContact CG2-CD2 3.81Å; I168-Y172 HydrophobicContact CG2-CE2 3.58Å; I168-Y172 WeakPolarHBondContact O-CD2 3.42Å; I168-Y172 PolarHBondContact O-N 2.88Å; I168-Y172 VanDerWaalsContact O-N 3.11Å; M169-Y172 PolarHBondContact O-N 2.88Å; Y172-I175 PolarHBondContact O-N 2.92Å; Y172-E176 WeakPolarHBondContact O-CB 3.48Å; Y172-E176 PolarHBondContact O-N 2.9Å
173	Q	51.3	Low	49.4	Very low	107 Å²	107	85.4 Å²	85.4	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-57.5	-48.2	-179.3	-94.4	-172.3	-7.2	0	0	114	M169 I175 E176 K177	M169-Q173 PolarHBondContact O-N 3.27Å; Q173-I175 VanDerWaalsContact C-N 3.31Å; Q173-I175 PolarHBondContact O-N 3.18Å; Q173-E176 PolarHBondContact O-N 2.87Å; Q173-K177 WeakPolarHBondContact O-CB 3.43Å; Q173-K177 WeakPolarHBondContact O-CG 3.39Å; Q173-K177 PolarHBondContact O-N 3.16Å
174	P	45.6	Very low	49.5	Very low	80 Å²	80	85.1 Å²	85.1	52%	0.519	42%	0.422	S	S	.	.	H	α-helix	trans	-62.3	-38.5	174.9	-22.7	31.4	0	0	0	112.1	E170 K177 L178	E170-P174 WeakPolarHBondContact O-CD 3.39Å; P174-K177 PolarHBondContact O-N 3.41Å; P174-L178 WeakPolarHBondContact O-CB 3.16Å; P174-L178 PolarHBondContact O-N 2.88Å
175	I	46	Very low	49.7	Very low	81 Å²	81	83.6 Å²	83.6	42%	0.415	42%	0.42	S	S	.	.	H	α-helix	trans	-65.1	-45.3	178.6	-62.1	173.1	0	0	0	110.1	Y172 Q173 L178 L179	Y172-I175 PolarHBondContact O-N 2.92Å; Q173-I175 VanDerWaalsContact C-N 3.31Å; Q173-I175 PolarHBondContact O-N 3.18Å; I175-L178 PolarHBondContact O-N 2.94Å; I175-L179 HydrophobicContact CG2-CD1 4.07Å; I175-L179 VanDerWaalsContact O-CB 3.31Å; I175-L179 WeakPolarHBondContact O-CB 3.13Å; I175-L179 PolarHBondContact O-N 3.38Å
176	E	47.6	Very low	49.7	Very low	77 Å²	77	83.5 Å²	83.5	36%	0.36	42%	0.418	S	S	.	.	H	α-helix	trans	-66.9	-41.4	178.7	-166.7	168.2	180	0	0	111.4	R77 Y172 Q173 L179 N180	R77-E176 IonicContact CZ-OE2 2.78Å; R77-E176 IonicContact NH1-OE2 2.96Å; R77-E176 IonicContact NH2-OE2 3.7Å; R77-E176 PolarHBondContact NH2-OE2 3.45Å; Y172-E176 WeakPolarHBondContact O-CB 3.48Å; Y172-E176 PolarHBondContact O-N 2.9Å; Q173-E176 PolarHBondContact O-N 2.87Å; E176-L179 PolarHBondContact O-N 2.94Å; E176-N180 WeakPolarHBondContact O-CB 3.41Å; E176-N180 VanDerWaalsContact O-CG 3.27Å; E176-N180 PolarHBondContact O-N 3.23Å; E176-N180 PolarHBondContact O-ND2 2.77Å
177	K	56.9	Low	49.4	Very low	152 Å²	152	82.6 Å²	82.6	66%	0.661	41%	0.411	S	S	*	.	H	α-helix	trans	-63	-44.3	171.4	-78.8	-175.5	178.2	-178.2	0	112.3	Q173 P174 S181	Q173-K177 WeakPolarHBondContact O-CB 3.43Å; Q173-K177 WeakPolarHBondContact O-CG 3.39Å; Q173-K177 PolarHBondContact O-N 3.16Å; P174-K177 PolarHBondContact O-N 3.41Å; K177-S181 VanDerWaalsContact O-CB 3.29Å; K177-S181 WeakPolarHBondContact O-CB 3.22Å; K177-S181 PolarHBondContact O-N 2.85Å; K177-S181 PolarHBondContact O-OG 3.33Å
178	L	46.8	Very low	49.2	Very low	112 Å²	112	80.7 Å²	80.7	59%	0.586	41%	0.408	S	S	*	.	H	α-helix	trans	-64.7	-43.2	177.9	-175	69.1	0	0	0	110.5	P174 I175 S181 T182	P174-L178 WeakPolarHBondContact O-CB 3.16Å; P174-L178 PolarHBondContact O-N 2.88Å; I175-L178 PolarHBondContact O-N 2.94Å; L178-S181 VanDerWaalsContact CA-OG 3.3Å; L178-S181 WeakPolarHBondContact CA-OG 3.21Å; L178-S181 PolarHBondContact O-N 3.4Å; L178-S181 PolarHBondContact O-OG 2.5Å; L178-T182 WeakPolarHBondContact O-CB 3.36Å; L178-T182 PolarHBondContact O-N 3.03Å; L178-T182 PolarHBondContact O-OG1 3.24Å
179	L	48.5	Very low	49.3	Very low	46 Å²	46	82.1 Å²	82.1	24%	0.241	41%	0.414	C	S	.	.	H	α-helix	trans	-62.7	-48.3	176.3	-113.3	141.5	0	0	0	111.8	L69 L73 I175 E176 T182 L183	L69-L179 HydrophobicContact CD1-CD2 3.91Å; L69-L179 HydrophobicContact CD2-CD1 3.94Å; L69-L179 HydrophobicContact CD2-CD2 3.88Å; L69-L179 HydrophobicContact CG-CD2 4.44Å; L73-L179 HydrophobicContact CD1-CD1 4.46Å; I175-L179 HydrophobicContact CG2-CD1 4.07Å; I175-L179 VanDerWaalsContact O-CB 3.31Å; I175-L179 WeakPolarHBondContact O-CB 3.13Å; I175-L179 PolarHBondContact O-N 3.38Å; E176-L179 PolarHBondContact O-N 2.94Å; L179-T182 PolarHBondContact O-N 3.12Å; L179-L183 HydrophobicContact CD2-CD1 4.06Å; L179-L183 WeakPolarHBondContact O-CB 3.41Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.87Å
180	N	51.5	Low	49.2	Very low	90 Å²	90	81.8 Å²	81.8	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-66.1	-39	179.4	-73.2	-22.5	0	0	0	111.8	E176 K184	E176-N180 WeakPolarHBondContact O-CB 3.41Å; E176-N180 VanDerWaalsContact O-CG 3.27Å; E176-N180 PolarHBondContact O-N 3.23Å; E176-N180 PolarHBondContact O-ND2 2.77Å; N180-K184 WeakPolarHBondContact O-CB 3.38Å; N180-K184 PolarHBondContact O-N 3.39Å
181	S	56.9	Low	48.7	Very low	61 Å²	61	78.6 Å²	78.6	43%	0.427	40%	0.4	S	S	.	.	H	α-helix	trans	-69.1	-37.4	174.4	55	0	0	0	0	112.5	K177 L178 K184 S185	K177-S181 VanDerWaalsContact O-CB 3.29Å; K177-S181 WeakPolarHBondContact O-CB 3.22Å; K177-S181 PolarHBondContact O-N 2.85Å; K177-S181 PolarHBondContact O-OG 3.33Å; L178-S181 VanDerWaalsContact CA-OG 3.3Å; L178-S181 WeakPolarHBondContact CA-OG 3.21Å; L178-S181 PolarHBondContact O-N 3.4Å; L178-S181 PolarHBondContact O-OG 2.5Å; S181-K184 PolarHBondContact O-N 3.43Å; S181-S185 WeakPolarHBondContact O-CB 3.48Å; S181-S185 PolarHBondContact O-N 2.82Å
182	T	46.1	Very low	48.5	Very low	79 Å²	79	78.3 Å²	78.3	49%	0.485	40%	0.395	S	S	.	.	H	α-helix	trans	-68.8	-45.8	176.1	-55.6	0	0	0	0	111	L178 L179 K184 S185 D186	L178-T182 WeakPolarHBondContact O-CB 3.36Å; L178-T182 PolarHBondContact O-N 3.03Å; L178-T182 PolarHBondContact O-OG1 3.24Å; L179-T182 PolarHBondContact O-N 3.12Å; T182-K184 VanDerWaalsContact C-N 3.32Å; T182-K184 PolarHBondContact O-N 3.29Å; T182-S185 PolarHBondContact O-N 3.31Å; T182-D186 VanDerWaalsContact O-CB 3.3Å; T182-D186 WeakPolarHBondContact O-CB 3.33Å; T182-D186 PolarHBondContact O-N 2.81Å
183	L	46.7	Very low	48.5	Very low	25 Å²	25	81 Å²	81	13%	0.131	42%	0.416	C	S	.	.	H	α-helix	trans	-63.1	-39.6	174.7	-76.5	170	0	0	0	111.3	Y62 L179 R187	Y62-L183 HydrophobicContact CD1-CD2 3.84Å; Y62-L183 HydrophobicContact CE1-CD2 4.04Å; L179-L183 HydrophobicContact CD2-CD1 4.06Å; L179-L183 WeakPolarHBondContact O-CB 3.41Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.87Å; L183-R187 VanDerWaalsContact O-CB 3.26Å; L183-R187 WeakPolarHBondContact O-CB 3.46Å; L183-R187 WeakPolarHBondContact O-CG 3.26Å; L183-R187 PolarHBondContact O-N 3.18Å
184	K	55.2	Low	47.9	Very low	128 Å²	128	77.3 Å²	77.3	56%	0.557	40%	0.4	S	S	*	.	H	α-helix	trans	-65	-46.3	174.1	-176.2	177.7	174.2	-178.1	0	111.1	N180 S181 T182 R187 E188	N180-K184 WeakPolarHBondContact O-CB 3.38Å; N180-K184 PolarHBondContact O-N 3.39Å; S181-K184 PolarHBondContact O-N 3.43Å; T182-K184 VanDerWaalsContact C-N 3.32Å; T182-K184 PolarHBondContact O-N 3.29Å; K184-R187 PolarHBondContact O-N 3.49Å; K184-E188 WeakPolarHBondContact CE-OE1 3.32Å; K184-E188 HydrophobicContact CG-CG 4.46Å; K184-E188 WeakPolarHBondContact CG-OE1 3.31Å; K184-E188 IonicContact NZ-OE1 3.32Å; K184-E188 WeakPolarHBondContact O-CB 3.41Å; K184-E188 VanDerWaalsContact O-CG 3.27Å; K184-E188 WeakPolarHBondContact O-CG 3.3Å; K184-E188 PolarHBondContact O-N 3.32Å
185	S	52.8	Low	47.5	Very low	44 Å²	44	80.5 Å²	80.5	31%	0.308	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-42.4	178.7	-174.7	0	0	0	0	111.9	S181 T182 E188 Q189	S181-S185 WeakPolarHBondContact O-CB 3.48Å; S181-S185 PolarHBondContact O-N 2.82Å; T182-S185 PolarHBondContact O-N 3.31Å; S185-E188 CarbonylContact O-C 3.53Å; S185-E188 PolarHBondContact O-N 2.83Å; S185-Q189 VanDerWaalsContact O-CB 3.26Å; S185-Q189 WeakPolarHBondContact O-CB 3.18Å; S185-Q189 VanDerWaalsContact O-CG 3.25Å; S185-Q189 WeakPolarHBondContact O-CG 3.28Å; S185-Q189 PolarHBondContact O-N 2.91Å
186	D	44	Very low	47.4	Very low	54 Å²	54	84.3 Å²	84.3	29%	0.289	41%	0.412	S	S	.	.	H	α-helix	trans	-69	-38.9	176.4	-171.2	35.4	0	0	0	111.6	Y62 T182 Q189 R190	Y62-D186 VanDerWaalsContact OH-CG 3.28Å; Y62-D186 PolarHBondContact OH-OD2 3.46Å; T182-D186 VanDerWaalsContact O-CB 3.3Å; T182-D186 WeakPolarHBondContact O-CB 3.33Å; T182-D186 PolarHBondContact O-N 2.81Å; D186-Q189 PolarHBondContact O-N 3.47Å; D186-R190 WeakPolarHBondContact O-CB 2.87Å; D186-R190 WeakPolarHBondContact O-CG 3.48Å; D186-R190 PolarHBondContact O-N 2.89Å; D186-R190 IonicContact OD1-NE 2.79Å
187	R	46.4	Very low	47.1	Very low	110 Å²	110	86.5 Å²	86.5	42%	0.415	42%	0.422	S	S	.	.	H	α-helix	trans	-60.4	-44.9	169.3	-78.3	178.4	-177.1	174.6	7.1	111.5	Y62 E66 L183 K184 G191	Y62-R187 HydrophobicContact CE2-CG 4.44Å; E66-R187 IonicContact OE2-NH2 3.39Å; E66-R187 PolarHBondContact OE2-NH2 3.28Å; L183-R187 VanDerWaalsContact O-CB 3.26Å; L183-R187 WeakPolarHBondContact O-CB 3.46Å; L183-R187 WeakPolarHBondContact O-CG 3.26Å; L183-R187 PolarHBondContact O-N 3.18Å; K184-R187 PolarHBondContact O-N 3.49Å; R187-G191 PolarHBondContact O-N 3.2Å
188	E	50.5	Low	46	Very low	95 Å²	95	83.2 Å²	83.2	44%	0.444	41%	0.405	S	S	.	.	H	α-helix	trans	-66.6	-41.9	177.4	-77.9	172.5	-178.2	0	0	111.7	K184 S185 G191 Q192	K184-E188 WeakPolarHBondContact CE-OE1 3.32Å; K184-E188 HydrophobicContact CG-CG 4.46Å; K184-E188 WeakPolarHBondContact CG-OE1 3.31Å; K184-E188 IonicContact NZ-OE1 3.32Å; K184-E188 WeakPolarHBondContact O-CB 3.41Å; K184-E188 VanDerWaalsContact O-CG 3.27Å; K184-E188 WeakPolarHBondContact O-CG 3.3Å; K184-E188 PolarHBondContact O-N 3.32Å; S185-E188 CarbonylContact O-C 3.53Å; S185-E188 PolarHBondContact O-N 2.83Å; E188-G191 CarbonylContact O-C 3.53Å; E188-G191 PolarHBondContact O-N 2.88Å; E188-Q192 VanDerWaalsContact O-CB 3.24Å; E188-Q192 WeakPolarHBondContact O-CB 3.47Å; E188-Q192 WeakPolarHBondContact O-CG 3.49Å; E188-Q192 PolarHBondContact O-N 3.44Å
189	Q	48.6	Very low	45.4	Very low	59 Å²	59	78.9 Å²	78.9	28%	0.276	39%	0.388	S	S	.	.	H	α-helix	trans	-71.8	-40.8	179.9	-78.5	-175.5	-1.4	0	0	112.4	S185 D186 Q192 S193 R258	S185-Q189 VanDerWaalsContact O-CB 3.26Å; S185-Q189 WeakPolarHBondContact O-CB 3.18Å; S185-Q189 VanDerWaalsContact O-CG 3.25Å; S185-Q189 WeakPolarHBondContact O-CG 3.28Å; S185-Q189 PolarHBondContact O-N 2.91Å; D186-Q189 PolarHBondContact O-N 3.47Å; Q189-Q192 CarbonylContact O-C 3.58Å; Q189-Q192 PolarHBondContact O-N 3.46Å; Q189-S193 VanDerWaalsContact O-CB 3.26Å; Q189-S193 WeakPolarHBondContact O-CB 3.37Å; Q189-S193 PolarHBondContact O-N 2.79Å; Q189-R258 VanDerWaalsContact CD-NH2 3.29Å; Q189-R258 VanDerWaalsContact NE2-NH2 3.14Å
190	R	45.3	Very low	45.1	Very low	106 Å²	106	81.5 Å²	81.5	40%	0.4	40%	0.402	S	S	.	.	H	α-helix	trans	-66.2	-41.5	170.9	-74.8	-174.5	-179.7	-157.1	-1.8	111	Y62 D186 Q192 S193 L194	Y62-R190 WeakPolarHBondContact OH-CD 3.17Å; Y62-R190 PolarHBondContact OH-NE 3.01Å; D186-R190 WeakPolarHBondContact O-CB 2.87Å; D186-R190 WeakPolarHBondContact O-CG 3.48Å; D186-R190 PolarHBondContact O-N 2.89Å; D186-R190 IonicContact OD1-NE 2.79Å; R190-Q192 VanDerWaalsContact C-N 3.33Å; R190-Q192 PolarHBondContact O-N 3.4Å; R190-S193 PolarHBondContact O-N 3.17Å; R190-L194 VanDerWaalsContact O-CB 3.31Å; R190-L194 WeakPolarHBondContact O-CB 3.37Å; R190-L194 VanDerWaalsContact O-CG 3.29Å; R190-L194 WeakPolarHBondContact O-CG 3.35Å; R190-L194 PolarHBondContact O-N 3.4Å
191	G	41.9	Very low	44.4	Very low	31 Å²	31	80 Å²	80	32%	0.32	40%	0.396	S	S	.	.	H	α-helix	trans	-57.3	-45.2	171.4	0	0	0	0	0	112	R187 E188 Y195	R187-G191 PolarHBondContact O-N 3.2Å; E188-G191 CarbonylContact O-C 3.53Å; E188-G191 PolarHBondContact O-N 2.88Å; G191-Y195 WeakPolarHBondContact O-CB 3.41Å; G191-Y195 PolarHBondContact O-N 2.93Å
192	Q	44.1	Very low	43.2	Very low	94 Å²	94	78.5 Å²	78.5	44%	0.439	39%	0.385	S	S	.	.	H	α-helix	trans	-70.3	-37.1	177	-79	177.7	20.9	0	0	112.9	E188 Q189 R190 Y195 R196	E188-Q192 VanDerWaalsContact O-CB 3.24Å; E188-Q192 WeakPolarHBondContact O-CB 3.47Å; E188-Q192 WeakPolarHBondContact O-CG 3.49Å; E188-Q192 PolarHBondContact O-N 3.44Å; Q189-Q192 CarbonylContact O-C 3.58Å; Q189-Q192 PolarHBondContact O-N 3.46Å; R190-Q192 VanDerWaalsContact C-N 3.33Å; R190-Q192 PolarHBondContact O-N 3.4Å; Q192-Y195 CarbonylContact O-C 3.59Å; Q192-Y195 PolarHBondContact O-N 2.82Å; Q192-R196 VanDerWaalsContact O-CB 3.28Å; Q192-R196 WeakPolarHBondContact O-CB 3.42Å; Q192-R196 VanDerWaalsContact O-CG 3.28Å; Q192-R196 WeakPolarHBondContact O-CG 3.38Å; Q192-R196 PolarHBondContact O-N 2.76Å
193	S	46.8	Very low	42.8	Very low	70 Å²	70	81.6 Å²	81.6	49%	0.49	39%	0.391	S	S	.	.	H	α-helix	trans	-67.2	-46.7	176.4	-173.2	0	0	0	0	109.8	Q189 R190 Y195 R196 E197	Q189-S193 VanDerWaalsContact O-CB 3.26Å; Q189-S193 WeakPolarHBondContact O-CB 3.37Å; Q189-S193 PolarHBondContact O-N 2.79Å; R190-S193 PolarHBondContact O-N 3.17Å; S193-Y195 VanDerWaalsContact C-N 3.3Å; S193-Y195 PolarHBondContact O-N 3.18Å; S193-R196 PolarHBondContact O-N 2.95Å; S193-E197 VanDerWaalsContact O-CB 3.28Å; S193-E197 WeakPolarHBondContact O-CB 3.3Å; S193-E197 PolarHBondContact O-N 3Å
194	L	38.8	Very low	42.5	Very low	30 Å²	30	82.9 Å²	82.9	16%	0.157	40%	0.4	C	S	.	.	H	α-helix	trans	-62.6	-38.5	172.7	-72.5	169.5	0	0	0	111.3	F51 E54 V55 I58 R190 E197 W198	F51-L194 HydrophobicContact CD2-CB 4.05Å; F51-L194 HydrophobicContact CE2-CB 3.45Å; F51-L194 VanDerWaalsContact CE2-CB 3.45Å; F51-L194 HydrophobicContact CZ-CB 4.33Å; E54-L194 HydrophobicContact CG-CD2 4.42Å; V55-L194 HydrophobicContact CG2-CD1 4.3Å; I58-L194 HydrophobicContact CD1-CD1 3.5Å; R190-L194 VanDerWaalsContact O-CB 3.31Å; R190-L194 WeakPolarHBondContact O-CB 3.37Å; R190-L194 VanDerWaalsContact O-CG 3.29Å; R190-L194 WeakPolarHBondContact O-CG 3.35Å; R190-L194 PolarHBondContact O-N 3.4Å; L194-E197 PolarHBondContact O-N 3.15Å; L194-W198 WeakPolarHBondContact O-CB 3.2Å; L194-W198 PolarHBondContact O-N 2.87Å
195	Y	36.1	Very low	41.9	Very low	146 Å²	146	83.7 Å²	83.7	57%	0.573	41%	0.406	S	S	*	.	H	α-helix	trans	-68.9	-37	175.7	-174.1	-94.5	0	0	0	112.3	G191 Q192 S193 W198 G199	G191-Y195 WeakPolarHBondContact O-CB 3.41Å; G191-Y195 PolarHBondContact O-N 2.93Å; Q192-Y195 CarbonylContact O-C 3.59Å; Q192-Y195 PolarHBondContact O-N 2.82Å; S193-Y195 VanDerWaalsContact C-N 3.3Å; S193-Y195 PolarHBondContact O-N 3.18Å; Y195-W198 HydrophobicContact CD2-CE3 4.18Å; Y195-W198 AromaticContact CE2-CE3 3.97Å; Y195-W198 HydrophobicContact CE2-CE3 3.97Å; Y195-W198 AromaticContact CE2-CZ3 3.93Å; Y195-W198 HydrophobicContact CE2-CZ3 3.93Å; Y195-G199 WeakPolarHBondContact O-CA 3.28Å; Y195-G199 PolarHBondContact O-N 3.17Å
196	R	43.1	Very low	41.2	Very low	161 Å²	161	84.4 Å²	84.4	61%	0.608	41%	0.411	S	S	*	.	H	α-helix	trans	-68.9	-40.3	173.3	-80.5	-174.2	-128.6	-178.5	0.7	111	Q192 S193 G199 N200	Q192-R196 VanDerWaalsContact O-CB 3.28Å; Q192-R196 WeakPolarHBondContact O-CB 3.42Å; Q192-R196 VanDerWaalsContact O-CG 3.28Å; Q192-R196 WeakPolarHBondContact O-CG 3.38Å; Q192-R196 PolarHBondContact O-N 2.76Å; S193-R196 PolarHBondContact O-N 2.95Å; R196-G199 PolarHBondContact O-N 2.66Å; R196-N200 WeakPolarHBondContact O-CB 3.38Å; R196-N200 PolarHBondContact O-N 3.49Å; R196-N200 PolarHBondContact O-ND2 2.86Å
197	E	42.6	Very low	40.7	Very low	124 Å²	124	82.3 Å²	82.3	58%	0.579	40%	0.4	S	S	*	.	H	α-helix	trans	-64.6	-45.7	175.2	-158.3	175.5	-163.1	0	0	109.8	S193 L194 T201	S193-E197 VanDerWaalsContact O-CB 3.28Å; S193-E197 WeakPolarHBondContact O-CB 3.3Å; S193-E197 PolarHBondContact O-N 3Å; L194-E197 PolarHBondContact O-N 3.15Å; E197-T201 WeakPolarHBondContact O-CB 3.37Å; E197-T201 PolarHBondContact O-N 3.32Å; E197-T201 PolarHBondContact O-OG1 3.37Å
198	W	32.5	Very low	40.4	Very low	82 Å²	82	80.9 Å²	80.9	31%	0.311	40%	0.4	S	S	.	.	H	α-helix	trans	-58	-53.4	170.4	-177.1	81.5	0	0	0	111.6	L194 Y195 N200 T201 V202	L194-W198 WeakPolarHBondContact O-CB 3.2Å; L194-W198 PolarHBondContact O-N 2.87Å; Y195-W198 HydrophobicContact CD2-CE3 4.18Å; Y195-W198 AromaticContact CE2-CE3 3.97Å; Y195-W198 HydrophobicContact CE2-CE3 3.97Å; Y195-W198 AromaticContact CE2-CZ3 3.93Å; Y195-W198 HydrophobicContact CE2-CZ3 3.93Å; W198-N200 PolarHBondContact O-N 3.39Å; W198-T201 CarbonylContact O-C 3.57Å; W198-T201 WeakPolarHBondContact O-CA 3.38Å; W198-T201 WeakPolarHBondContact O-CB 3.29Å; W198-T201 PolarHBondContact O-N 2.91Å; W198-V202 HydrophobicContact CD2-CG2 3.81Å; W198-V202 HydrophobicContact CE3-CG2 4.08Å; W198-V202 HydrophobicContact CG-CG2 4.38Å; W198-V202 HydrophobicContact CH2-CG2 4.08Å; W198-V202 HydrophobicContact CZ2-CG2 3.8Å; W198-V202 HydrophobicContact CZ3-CG2 4.21Å; W198-V202 VanDerWaalsContact O-CG2 3.26Å; W198-V202 WeakPolarHBondContact O-CG2 3.38Å; W198-V202 PolarHBondContact O-N 2.89Å
199	G	34.8	Very low	39.8	Very low	21 Å²	21	84 Å²	84	22%	0.216	41%	0.409	C	S	.	.	H	α-helix	trans	-62.5	-38.1	-179	0	0	0	0	0	113.9	Y195 R196 T201 V202 K203	Y195-G199 WeakPolarHBondContact O-CA 3.28Å; Y195-G199 PolarHBondContact O-N 3.17Å; R196-G199 PolarHBondContact O-N 2.66Å; G199-T201 VanDerWaalsContact C-N 3.28Å; G199-T201 PolarHBondContact O-N 2.88Å; G199-V202 PolarHBondContact O-N 2.91Å; G199-K203 PolarHBondContact O-N 3.24Å
200	N	41.8	Very low	39.3	Very low	102 Å²	102	83.4 Å²	83.4	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-68.6	-29.3	172.4	-75.1	-22.6	0	0	0	111.7	R196 W198	R196-N200 WeakPolarHBondContact O-CB 3.38Å; R196-N200 PolarHBondContact O-N 3.49Å; R196-N200 PolarHBondContact O-ND2 2.86Å; W198-N200 PolarHBondContact O-N 3.39Å
201	T	37.4	Very low	38.9	Very low	57 Å²	57	81.6 Å²	81.6	35%	0.35	41%	0.409	S	S	.	.	H	α-helix	trans	-79	-28.9	172.7	-41.6	0	0	0	0	111.9	E197 W198 G199 K203 T204	E197-T201 WeakPolarHBondContact O-CB 3.37Å; E197-T201 PolarHBondContact O-N 3.32Å; E197-T201 PolarHBondContact O-OG1 3.37Å; W198-T201 CarbonylContact O-C 3.57Å; W198-T201 WeakPolarHBondContact O-CA 3.38Å; W198-T201 WeakPolarHBondContact O-CB 3.29Å; W198-T201 PolarHBondContact O-N 2.91Å; G199-T201 VanDerWaalsContact C-N 3.28Å; G199-T201 PolarHBondContact O-N 2.88Å; T201-K203 VanDerWaalsContact C-N 3.27Å; T201-K203 PolarHBondContact O-N 2.85Å; T201-T204 WeakPolarHBondContact O-CB 3.44Å; T201-T204 VanDerWaalsContact O-CG2 3.26Å; T201-T204 WeakPolarHBondContact O-CG2 3.48Å; T201-T204 PolarHBondContact O-N 3.31Å; T201-T204 PolarHBondContact O-OG1 2.88Å
202	V	32.7	Very low	38.8	Very low	31 Å²	31	85.9 Å²	85.9	19%	0.188	42%	0.419	C	S	.	.	H	α-helix	trans	-73.7	-16.1	171.9	176.1	0	0	0	0	111.8	W198 G199 T204 C207	W198-V202 HydrophobicContact CD2-CG2 3.81Å; W198-V202 HydrophobicContact CE3-CG2 4.08Å; W198-V202 HydrophobicContact CG-CG2 4.38Å; W198-V202 HydrophobicContact CH2-CG2 4.08Å; W198-V202 HydrophobicContact CZ2-CG2 3.8Å; W198-V202 HydrophobicContact CZ3-CG2 4.21Å; W198-V202 VanDerWaalsContact O-CG2 3.26Å; W198-V202 WeakPolarHBondContact O-CG2 3.38Å; W198-V202 PolarHBondContact O-N 2.89Å; G199-V202 PolarHBondContact O-N 2.91Å; V202-T204 PolarHBondContact O-N 3.46Å; V202-C207 HydrophobicContact CB-CB 4.34Å; V202-C207 HydrophobicContact CG1-CB 3.83Å; V202-C207 WeakPolarHBondContact O-CB 3.47Å
203	K	37.6	Very low	38.5	Very low	143 Å²	143	82.4 Å²	82.4	62%	0.622	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.7	166	-71.9	177.5	-178.6	173.4	0	113.8	G199 T201 Q205 I208	G199-K203 PolarHBondContact O-N 3.24Å; T201-K203 VanDerWaalsContact C-N 3.27Å; T201-K203 PolarHBondContact O-N 2.85Å; K203-Q205 PolarHBondContact O-N 3.42Å; K203-I208 WeakPolarHBondContact O-CD1 3.46Å
204	T	40.4	Very low	37.9	Very low	53 Å²	53	83.5 Å²	83.5	33%	0.325	40%	0.402	S	S	.	.	S	Bend	trans	-61.2	138.3	169.8	48.3	0	0	0	0	109.8	T201 V202 S206 C207 I208	T201-T204 WeakPolarHBondContact O-CB 3.44Å; T201-T204 VanDerWaalsContact O-CG2 3.26Å; T201-T204 WeakPolarHBondContact O-CG2 3.48Å; T201-T204 PolarHBondContact O-N 3.31Å; T201-T204 PolarHBondContact O-OG1 2.88Å; V202-T204 PolarHBondContact O-N 3.46Å; T204-S206 PolarHBondContact O-N 3.01Å; T204-C207 PolarHBondContact O-N 3.14Å; T204-I208 PolarHBondContact O-N 3.27Å; T204-I208 VanDerWaalsContact O-N 3.16Å
205	Q	41	Very low	37.8	Very low	144 Å²	144	92 Å²	92	67%	0.673	43%	0.432	S	S	*	.	H	α-helix	trans	-48.2	-34.6	-173.7	-162.5	76.5	6.8	0	0	112.9	K203 I208 Y209	K203-Q205 PolarHBondContact O-N 3.42Å; Q205-I208 PolarHBondContact O-N 2.91Å; Q205-Y209 WeakPolarHBondContact O-CB 3.44Å; Q205-Y209 PolarHBondContact O-N 2.98Å
206	S	38.9	Very low	38	Very low	59 Å²	59	91.4 Å²	91.4	41%	0.413	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-39.8	176.8	51	0	0	0	0	113.8	T204 F210	T204-S206 PolarHBondContact O-N 3.01Å; S206-F210 WeakPolarHBondContact O-CB 3.23Å; S206-F210 PolarHBondContact O-N 3.43Å
207	C	34.3	Very low	37.5	Very low	10 Å²	10	89.7 Å²	89.7	7%	0.068	44%	0.437	C	S	.	.	H	α-helix	trans	-75.9	-33.3	175.4	-83	0	0	0	0	112.1	V202 T204 F210 C211	V202-C207 HydrophobicContact CB-CB 4.34Å; V202-C207 HydrophobicContact CG1-CB 3.83Å; V202-C207 WeakPolarHBondContact O-CB 3.47Å; T204-C207 PolarHBondContact O-N 3.14Å; C207-F210 WeakPolarHBondContact O-CB 3.34Å; C207-F210 PolarHBondContact O-N 3.37Å; C207-C211 WeakPolarHBondContact O-CB 3.37Å; C207-C211 PolarHBondContact O-N 3.41Å; C207-C211 PolarHBondContact O-SG 2.75Å; C207-C211 VanDerWaalsContact O-SG 3.38Å
208	I	39.3	Very low	36.8	Very low	81 Å²	81	85.7 Å²	85.7	42%	0.415	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-43.1	170.6	-64.9	173.4	0	0	0	110.2	K203 T204 Q205 F210 C211 K212	K203-I208 WeakPolarHBondContact O-CD1 3.46Å; T204-I208 PolarHBondContact O-N 3.27Å; T204-I208 VanDerWaalsContact O-N 3.16Å; Q205-I208 PolarHBondContact O-N 2.91Å; I208-F210 VanDerWaalsContact C-N 3.31Å; I208-F210 PolarHBondContact O-N 3.49Å; I208-C211 PolarHBondContact O-N 3.43Å; I208-K212 VanDerWaalsContact O-CB 3.28Å; I208-K212 WeakPolarHBondContact O-CB 3.34Å; I208-K212 PolarHBondContact O-N 2.79Å
209	Y	38.7	Very low	36.6	Very low	161 Å²	161	84.9 Å²	84.9	63%	0.631	44%	0.439	S	S	*	.	H	α-helix	trans	-59.4	-43.7	173.4	-125.4	-90.9	0	0	0	111.1	Q205 K212 A213	Q205-Y209 WeakPolarHBondContact O-CB 3.44Å; Q205-Y209 PolarHBondContact O-N 2.98Å; Y209-K212 PolarHBondContact O-N 2.94Å; Y209-A213 VanDerWaalsContact O-CB 3.31Å; Y209-A213 WeakPolarHBondContact O-CB 3.5Å; Y209-A213 PolarHBondContact O-N 3.02Å
210	F	37.2	Very low	36.3	Very low	45 Å²	45	93.3 Å²	93.3	20%	0.197	47%	0.471	C	S	.	.	H	α-helix	trans	-61.4	-48.8	174.4	-176.1	-91.8	0	0	0	112.4	L37 W41 S206 C207 I208 K212 A213 F214	L37-F210 HydrophobicContact CD2-CD2 4.04Å; L37-F210 HydrophobicContact CD2-CE2 4.23Å; W41-F210 HydrophobicContact CE3-CE2 4.12Å; W41-F210 AromaticContact CE3-CZ 3.88Å; W41-F210 HydrophobicContact CE3-CZ 3.88Å; W41-F210 HydrophobicContact CZ3-CZ 4.14Å; S206-F210 WeakPolarHBondContact O-CB 3.23Å; S206-F210 PolarHBondContact O-N 3.43Å; C207-F210 WeakPolarHBondContact O-CB 3.34Å; C207-F210 PolarHBondContact O-N 3.37Å; I208-F210 VanDerWaalsContact C-N 3.31Å; I208-F210 PolarHBondContact O-N 3.49Å; F210-K212 VanDerWaalsContact C-N 3.29Å; F210-K212 PolarHBondContact O-N 3.46Å; F210-A213 PolarHBondContact O-N 3.13Å; F210-F214 WeakPolarHBondContact O-CB 3.49Å; F210-F214 PolarHBondContact O-N 3.32Å
211	C	37.1	Very low	35.6	Very low	68 Å²	68	95.2 Å²	95.2	46%	0.459	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-33.9	177.3	-72.9	0	0	0	0	112.5	C207 I208 R215	C207-C211 WeakPolarHBondContact O-CB 3.37Å; C207-C211 PolarHBondContact O-N 3.41Å; C207-C211 PolarHBondContact O-SG 2.75Å; C207-C211 VanDerWaalsContact O-SG 3.38Å; I208-C211 PolarHBondContact O-N 3.43Å; C211-R215 WeakPolarHBondContact O-CB 3.25Å; C211-R215 PolarHBondContact O-N 3.21Å
212	K	40.3	Very low	35.1	Very low	122 Å²	122	98 Å²	98	53%	0.53	50%	0.495	S	S	.	.	H	α-helix	trans	-71.1	-48.4	176.2	-164.6	-174.3	-176.6	-161	0	111.2	I208 Y209 F210 F214 R215 E216	I208-K212 VanDerWaalsContact O-CB 3.28Å; I208-K212 WeakPolarHBondContact O-CB 3.34Å; I208-K212 PolarHBondContact O-N 2.79Å; Y209-K212 PolarHBondContact O-N 2.94Å; F210-K212 VanDerWaalsContact C-N 3.29Å; F210-K212 PolarHBondContact O-N 3.46Å; K212-F214 VanDerWaalsContact C-N 3.25Å; K212-F214 PolarHBondContact O-N 3.34Å; K212-R215 PolarHBondContact O-N 2.99Å; K212-R215 VanDerWaalsContact O-N 3.11Å; K212-E216 VanDerWaalsContact CE-OE1 3.23Å; K212-E216 WeakPolarHBondContact CE-OE1 3.48Å; K212-E216 IonicContact NZ-OE1 3.92Å; K212-E216 WeakPolarHBondContact O-CB 3.43Å; K212-E216 WeakPolarHBondContact O-CG 3.38Å; K212-E216 PolarHBondContact O-N 3.22Å
213	A	37.5	Very low	34.8	Very low	21 Å²	21	99.7 Å²	99.7	17%	0.174	52%	0.519	C	S	.	.	H	α-helix	trans	-60	-36.4	173	0	0	0	0	0	111.6	Y209 F210 N217	Y209-A213 VanDerWaalsContact O-CB 3.31Å; Y209-A213 WeakPolarHBondContact O-CB 3.5Å; Y209-A213 PolarHBondContact O-N 3.02Å; F210-A213 PolarHBondContact O-N 3.13Å; A213-N217 WeakPolarHBondContact O-CB 3.47Å; A213-N217 PolarHBondContact O-N 3.4Å; A213-N217 PolarHBondContact O-ND2 3.16Å; A213-N217 VanDerWaalsContact O-ND2 3.11Å
214	F	34.6	Very low	34.2	Very low	93 Å²	93	99.1 Å²	99.1	41%	0.408	53%	0.527	S	S	.	.	H	α-helix	trans	-65.2	-45.3	171.8	-177.7	-83.8	0	0	0	111.6	W20 F210 K212 E216 N217 C218	W20-F214 HydrophobicContact CH2-CD2 4.07Å; W20-F214 HydrophobicContact CH2-CE2 4.07Å; W20-F214 AromaticContact CZ2-CD2 3.93Å; W20-F214 HydrophobicContact CZ2-CD2 3.93Å; W20-F214 AromaticContact CZ2-CE2 3.44Å; W20-F214 HydrophobicContact CZ2-CE2 3.44Å; W20-F214 VanDerWaalsContact CZ2-CE2 3.44Å; F210-F214 WeakPolarHBondContact O-CB 3.49Å; F210-F214 PolarHBondContact O-N 3.32Å; K212-F214 VanDerWaalsContact C-N 3.25Å; K212-F214 PolarHBondContact O-N 3.34Å; F214-E216 VanDerWaalsContact C-N 3.33Å; F214-E216 PolarHBondContact O-N 3.18Å; F214-N217 PolarHBondContact O-N 2.92Å; F214-C218 HydrophobicContact CD1-CB 4.23Å; F214-C218 HydrophobicContact CE1-CB 4.09Å; F214-C218 HydrophobicContact CZ-CB 4.36Å; F214-C218 WeakPolarHBondContact O-CA 3.5Å; F214-C218 WeakPolarHBondContact O-CB 3.4Å; F214-C218 PolarHBondContact O-N 3.08Å; F214-C218 PolarHBondContact O-SG 2.85Å
215	R	36.8	Very low	33.6	Very low	208 Å²	208	103 Å²	103	79%	0.785	55%	0.551	S	S	*	*	H	α-helix	trans	-63	-40.2	176.2	-120.8	-178.4	-174.4	172.5	1.5	112.3	C211 K212 G219	C211-R215 WeakPolarHBondContact O-CB 3.25Å; C211-R215 PolarHBondContact O-N 3.21Å; K212-R215 PolarHBondContact O-N 2.99Å; K212-R215 VanDerWaalsContact O-N 3.11Å; R215-G219 PolarHBondContact O-N 3.29Å; R215-G219 VanDerWaalsContact O-N 3.14Å
216	E	39.3	Very low	33	Very low	133 Å²	133	104.7 Å²	104.7	62%	0.621	56%	0.559	S	S	*	*	H	α-helix	trans	-72.7	-37.1	-179.8	-72.2	171.4	-178.5	0	0	111.6	K212 F214	K212-E216 VanDerWaalsContact CE-OE1 3.23Å; K212-E216 WeakPolarHBondContact CE-OE1 3.48Å; K212-E216 IonicContact NZ-OE1 3.92Å; K212-E216 WeakPolarHBondContact O-CB 3.43Å; K212-E216 WeakPolarHBondContact O-CG 3.38Å; K212-E216 PolarHBondContact O-N 3.22Å; F214-E216 VanDerWaalsContact C-N 3.33Å; F214-E216 PolarHBondContact O-N 3.18Å
217	N	32.7	Very low	32.6	Very low	126 Å²	126	108.8 Å²	108.8	67%	0.674	58%	0.581	S	S	*	*	H	α-helix	trans	-86.8	-32.4	178.4	-73.1	-43.3	0	0	0	114.2	A213 F214	A213-N217 WeakPolarHBondContact O-CB 3.47Å; A213-N217 PolarHBondContact O-N 3.4Å; A213-N217 PolarHBondContact O-ND2 3.16Å; A213-N217 VanDerWaalsContact O-ND2 3.11Å; F214-N217 PolarHBondContact O-N 2.92Å
218	C	28	Very low	32.4	Very low	40 Å²	40	111.9 Å²	111.9	27%	0.27	62%	0.615	S	S	.	*	H	α-helix	trans	-91.2	0.6	178.5	-60.1	0	0	0	0	113.5	F214 F220 M221	F214-C218 HydrophobicContact CD1-CB 4.23Å; F214-C218 HydrophobicContact CE1-CB 4.09Å; F214-C218 HydrophobicContact CZ-CB 4.36Å; F214-C218 WeakPolarHBondContact O-CA 3.5Å; F214-C218 WeakPolarHBondContact O-CB 3.4Å; F214-C218 PolarHBondContact O-N 3.08Å; F214-C218 PolarHBondContact O-SG 2.85Å; C218-F220 PolarHBondContact O-N 3.45Å; C218-M221 PolarHBondContact O-N 3.02Å
219	G	28.3	Very low	32.2	Very low	64 Å²	64	113 Å²	113	66%	0.66	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-5.9	164.9	0	0	0	0	0	113.9	R215	R215-G219 PolarHBondContact O-N 3.29Å; R215-G219 VanDerWaalsContact O-N 3.14Å
220	F	27.8	Very low	32.2	Very low	199 Å²	199	113.6 Å²	113.6	87%	0.873	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-8.4	172.2	-124.2	-89.5	0	0	0	115.5	C218	C218-F220 PolarHBondContact O-N 3.45Å
221	M	27.1	Very low	32.3	Very low	141 Å²	141	117.7 Å²	117.7	70%	0.695	66%	0.664	S	S	*	*	S	Bend	trans	-111.7	-4.2	-166.5	-84.7	-125.3	-142.6	0	0	118.9	W19 C218	W19-M221 HydrophobicContact CH2-CE 4.25Å; W19-M221 HydrophobicContact CZ2-CE 4.17Å; C218-M221 PolarHBondContact O-N 3.02Å
222	T	27.5	Very low	32.5	Very low	116 Å²	116	117.7 Å²	117.7	71%	0.712	67%	0.665	S	S	*	*			trans	-130.3	90.5	176.2	58.9	0	0	0	0	112
223	G	25.8	Very low	32.9	Very low	67 Å²	67	118.4 Å²	118.4	69%	0.691	67%	0.674	S	S	*	*			trans	-57.7	132.3	159	0	0	0	0	0	110.3
224	T	26.3	Very low	33.6	Very low	131 Å²	131	124.9 Å²	124.9	80%	0.804	70%	0.701	S	S	*	*			trans	50.4	85.6	159.6	51	0	0	0	0	116.8	E226	T224-E226 PolarHBondContact O-N 2.89Å
225	V	27.5	Very low	34.5	Very low	134 Å²	134	122.7 Å²	122.7	81%	0.812	70%	0.697	S	S	*	*			trans	-81.1	105.7	151.2	178.5	0	0	0	0	106.9	T227	V225-T227 PolarHBondContact O-N 3.45Å
226	E	27.2	Very low	35	Very low	180 Å²	180	115.9 Å²	115.9	84%	0.841	68%	0.678	S	S	*	*			trans	-67.4	127.5	171.6	-76.6	-176	157.3	0	0	110.4	T224 G228	T224-E226 PolarHBondContact O-N 2.89Å; E226-G228 PolarHBondContact O-N 2.9Å
227	T	32.2	Very low	35.3	Very low	145 Å²	145	116 Å²	116	89%	0.89	68%	0.679	S	S	*	*			trans	-62.3	117.4	171.7	45.7	0	0	0	0	111	V225	V225-T227 PolarHBondContact O-N 3.45Å
228	G	28.5	Very low	36.5	Very low	75 Å²	75	112.9 Å²	112.9	77%	0.773	67%	0.671	S	S	*	*			trans	-161.2	58.1	-175.9	0	0	0	0	0	115.8	E226	E226-G228 PolarHBondContact O-N 2.9Å
229	S	35.5	Very low	38	Very low	103 Å²	103	118.3 Å²	118.3	72%	0.72	69%	0.686	S	S	*	*			trans	-174.2	103.3	144.7	34	0	0	0	0	109	E231	S229-E231 PolarHBondContact O-N 2.93Å
230	N	38.6	Very low	38.6	Very low	175 Å²	175	121.7 Å²	121.7	94%	0.936	68%	0.679	S	S	*	*			trans	-75.7	65.7	173.6	-77.5	-10.7	0	0	0	110.1	S232	N230-S232 PolarHBondContact O-N 3.25Å
231	E	39.8	Very low	39.7	Very low	130 Å²	130	118.4 Å²	118.4	61%	0.607	67%	0.666	S	S	*	*			trans	-69.8	122.9	155.2	-73.9	-172.4	171.3	0	0	106.8	S229 V236	S229-E231 PolarHBondContact O-N 2.93Å; E231-V236 HydrophobicContact CB-CG2 3.9Å
232	S	41.1	Very low	41.2	Very low	69 Å²	69	115.4 Å²	115.4	48%	0.483	66%	0.659	S	S	.	*			trans	-61.1	145.2	174.8	50.4	0	0	0	0	109.9	N230 E234 S235 V236	N230-S232 PolarHBondContact O-N 3.25Å; S232-E234 PolarHBondContact O-N 2.95Å; S232-S235 PolarHBondContact N-OG 2.79Å; S232-S235 PolarHBondContact O-N 2.62Å; S232-S235 PolarHBondContact O-OG 2.92Å; S232-S235 PolarHBondContact OG-OG 3.18Å; S232-V236 PolarHBondContact O-N 2.83Å
233	D	48.6	Very low	42.2	Very low	136 Å²	136	113.5 Å²	113.5	73%	0.727	64%	0.641	S	S	*	*	H	α-helix	trans	-49.6	-37.7	177.1	-66	-24.9	0	0	0	112.1	S235 V236 E237	D233-S235 PolarHBondContact O-N 3.11Å; D233-V236 PolarHBondContact O-N 2.67Å; D233-E237 WeakPolarHBondContact O-CB 3.08Å; D233-E237 WeakPolarHBondContact O-CG 3.07Å; D233-E237 PolarHBondContact O-N 2.65Å
234	E	53.6	Low	43	Very low	157 Å²	157	114 Å²	114	73%	0.734	63%	0.628	S	S	*	*	H	α-helix	trans	-61.5	-34.7	174.9	-69	177.2	170.5	0	0	114	S232 A238	S232-E234 PolarHBondContact O-N 2.95Å; E234-A238 WeakPolarHBondContact O-CB 3.15Å; E234-A238 PolarHBondContact O-N 2.9Å
235	S	52.5	Low	44.9	Very low	47 Å²	47	115 Å²	115	33%	0.329	62%	0.621	S	S	.	*	H	α-helix	trans	-76.1	-35.2	177.4	68.4	0	0	0	0	111.9	S232 D233 W239	S232-S235 PolarHBondContact N-OG 2.79Å; S232-S235 PolarHBondContact O-N 2.62Å; S232-S235 PolarHBondContact O-OG 2.92Å; S232-S235 PolarHBondContact OG-OG 3.18Å; D233-S235 PolarHBondContact O-N 3.11Å; S235-W239 WeakPolarHBondContact O-CB 3.38Å; S235-W239 PolarHBondContact O-N 3.26Å
236	V	47.6	Very low	46.3	Very low	65 Å²	65	114.1 Å²	114.1	39%	0.394	61%	0.607	S	S	.	*	H	α-helix	trans	-67	-43.4	174.1	-179.4	0	0	0	0	110.1	E231 S232 D233 W239 W240	E231-V236 HydrophobicContact CB-CG2 3.9Å; S232-V236 PolarHBondContact O-N 2.83Å; D233-V236 PolarHBondContact O-N 2.67Å; V236-W239 PolarHBondContact O-N 3.13Å; V236-W240 VanDerWaalsContact O-CB 3.31Å; V236-W240 WeakPolarHBondContact O-CB 3.44Å; V236-W240 PolarHBondContact O-N 3.41Å
237	E	46.2	Very low	47.4	Very low	136 Å²	136	109.9 Å²	109.9	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-62.3	-47.1	175.8	-76.4	-175.2	170.9	0	0	112.1	D233 W239 W240 E241	D233-E237 WeakPolarHBondContact O-CB 3.08Å; D233-E237 WeakPolarHBondContact O-CG 3.07Å; D233-E237 PolarHBondContact O-N 2.65Å; E237-W239 VanDerWaalsContact C-N 3.35Å; E237-W239 PolarHBondContact O-N 3.16Å; E237-W240 WeakPolarHBondContact O-CB 3.36Å; E237-W240 PolarHBondContact O-N 3.35Å; E237-W240 VanDerWaalsContact O-N 3.16Å; E237-E241 PolarHBondContact O-N 2.98Å
238	A	57.9	Low	48.3	Very low	61 Å²	61	108.6 Å²	108.6	50%	0.504	57%	0.574	S	S	.	*	H	α-helix	trans	-63	-39.6	177.5	0	0	0	0	0	112.6	E234 S242	E234-A238 WeakPolarHBondContact O-CB 3.15Å; E234-A238 PolarHBondContact O-N 2.9Å; A238-S242 WeakPolarHBondContact O-CB 3.29Å; A238-S242 PolarHBondContact O-N 2.89Å; A238-S242 VanDerWaalsContact O-N 3.12Å
239	W	59	Low	50.1	Low	153 Å²	153	107.5 Å²	107.5	58%	0.58	56%	0.557	S	S	*	*	H	α-helix	trans	-63.5	-42.5	173.3	179.4	85.8	0	0	0	111.3	S235 V236 E237 S242 F243	S235-W239 WeakPolarHBondContact O-CB 3.38Å; S235-W239 PolarHBondContact O-N 3.26Å; V236-W239 PolarHBondContact O-N 3.13Å; E237-W239 VanDerWaalsContact C-N 3.35Å; E237-W239 PolarHBondContact O-N 3.16Å; W239-S242 PolarHBondContact O-N 3.45Å; W239-F243 HydrophobicContact CH2-CD2 4.37Å; W239-F243 HydrophobicContact CH2-CG 4.43Å; W239-F243 HydrophobicContact CZ2-CD2 4.29Å; W239-F243 WeakPolarHBondContact O-CB 3.49Å; W239-F243 PolarHBondContact O-N 2.94Å
240	W	39.9	Very low	50.9	Low	136 Å²	136	105.5 Å²	105.5	52%	0.515	54%	0.538	S	S	.	.	H	α-helix	trans	-64.6	-43.8	179.7	-166	-116.7	0	0	0	112.5	V236 E237 S242 F243 L244	V236-W240 VanDerWaalsContact O-CB 3.31Å; V236-W240 WeakPolarHBondContact O-CB 3.44Å; V236-W240 PolarHBondContact O-N 3.41Å; E237-W240 WeakPolarHBondContact O-CB 3.36Å; E237-W240 PolarHBondContact O-N 3.35Å; E237-W240 VanDerWaalsContact O-N 3.16Å; W240-S242 VanDerWaalsContact C-N 3.35Å; W240-S242 PolarHBondContact O-N 3.27Å; W240-F243 HydrophobicContact CE3-CD1 4.29Å; W240-F243 HydrophobicContact CZ3-CD1 4.1Å; W240-F243 HydrophobicContact CZ3-CE1 4.34Å; W240-F243 PolarHBondContact O-N 3.18Å; W240-L244 HydrophobicContact CG-CD1 4.46Å; W240-L244 WeakPolarHBondContact O-CB 3.35Å; W240-L244 WeakPolarHBondContact O-CG 3.35Å; W240-L244 PolarHBondContact O-N 3.33Å
241	E	51	Low	51.6	Low	129 Å²	129	101.8 Å²	101.8	60%	0.603	52%	0.518	S	S	*	.	H	α-helix	trans	-61.8	-41.9	174.1	-75	-165.7	166.4	0	0	112.3	E237 L244 K245	E237-E241 PolarHBondContact O-N 2.98Å; E241-L244 PolarHBondContact O-N 2.84Å; E241-K245 PolarHBondContact O-N 3.33Å
242	S	58.9	Low	52.7	Low	78 Å²	78	102.1 Å²	102.1	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-45.7	176.5	-175.5	0	0	0	0	111.6	A238 W239 W240 K245 Q246	A238-S242 WeakPolarHBondContact O-CB 3.29Å; A238-S242 PolarHBondContact O-N 2.89Å; A238-S242 VanDerWaalsContact O-N 3.12Å; W239-S242 PolarHBondContact O-N 3.45Å; W240-S242 VanDerWaalsContact C-N 3.35Å; W240-S242 PolarHBondContact O-N 3.27Å; S242-K245 PolarHBondContact O-N 3.3Å; S242-Q246 WeakPolarHBondContact O-CB 3.5Å; S242-Q246 PolarHBondContact O-N 3.36Å
243	F	48.8	Very low	53.4	Low	76 Å²	76	103.4 Å²	103.4	33%	0.333	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-46.3	176.3	176.8	-96.1	0	0	0	111.7	W239 W240 Q246 K247	W239-F243 HydrophobicContact CH2-CD2 4.37Å; W239-F243 HydrophobicContact CH2-CG 4.43Å; W239-F243 HydrophobicContact CZ2-CD2 4.29Å; W239-F243 WeakPolarHBondContact O-CB 3.49Å; W239-F243 PolarHBondContact O-N 2.94Å; W240-F243 HydrophobicContact CE3-CD1 4.29Å; W240-F243 HydrophobicContact CZ3-CD1 4.1Å; W240-F243 HydrophobicContact CZ3-CE1 4.34Å; W240-F243 PolarHBondContact O-N 3.18Å; F243-Q246 PolarHBondContact O-N 2.8Å; F243-K247 HydrophobicContact CD1-CG 4.15Å; F243-K247 HydrophobicContact CD2-CG 4.42Å; F243-K247 HydrophobicContact CE1-CG 3.74Å; F243-K247 HydrophobicContact CE2-CD 4.45Å; F243-K247 HydrophobicContact CE2-CG 4.05Å; F243-K247 HydrophobicContact CG-CG 4.47Å; F243-K247 HydrophobicContact CZ-CD 4.2Å; F243-K247 HydrophobicContact CZ-CG 3.69Å; F243-K247 WeakPolarHBondContact O-CB 3.5Å; F243-K247 WeakPolarHBondContact O-CG 3.43Å; F243-K247 PolarHBondContact O-N 2.9Å
244	L	43.4	Very low	53.4	Low	79 Å²	79	99.1 Å²	99.1	41%	0.414	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-42.9	178	-74.9	174	0	0	0	112.1	W240 E241 K247 L248	W240-L244 HydrophobicContact CG-CD1 4.46Å; W240-L244 WeakPolarHBondContact O-CB 3.35Å; W240-L244 WeakPolarHBondContact O-CG 3.35Å; W240-L244 PolarHBondContact O-N 3.33Å; E241-L244 PolarHBondContact O-N 2.84Å; L244-K247 PolarHBondContact O-N 3.44Å; L244-L248 WeakPolarHBondContact O-CG 3.38Å; L244-L248 PolarHBondContact O-N 2.91Å
245	K	65.4	Low	53.8	Low	151 Å²	151	96.3 Å²	96.3	66%	0.657	49%	0.491	S	S	*	.	H	α-helix	trans	-61.5	-44.9	174.8	-81	179.6	-179.2	167.6	0	112	E241 S242 K247 L248 A249	E241-K245 PolarHBondContact O-N 3.33Å; S242-K245 PolarHBondContact O-N 3.3Å; K245-K247 VanDerWaalsContact C-N 3.33Å; K245-K247 PolarHBondContact O-N 3.1Å; K245-L248 PolarHBondContact O-N 3.33Å; K245-A249 PolarHBondContact O-N 2.78Å; K245-A249 VanDerWaalsContact O-N 3.09Å
246	Q	57.1	Low	54	Low	115 Å²	115	100.1 Å²	100.1	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-42.4	176.8	-173.6	63	44.7	0	0	111	S242 F243 A249 D250	S242-Q246 WeakPolarHBondContact O-CB 3.5Å; S242-Q246 PolarHBondContact O-N 3.36Å; F243-Q246 PolarHBondContact O-N 2.8Å; Q246-A249 PolarHBondContact O-N 3.19Å; Q246-D250 PolarHBondContact NE2-OD1 2.92Å; Q246-D250 PolarHBondContact O-N 3.34Å
247	K	50.6	Low	53.9	Low	92 Å²	92	101.9 Å²	101.9	40%	0.4	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-40.7	178.3	-75.4	-58.9	-178.3	-164.2	0	113.7	F243 L244 K245 A249 D250 D251	F243-K247 HydrophobicContact CD1-CG 4.15Å; F243-K247 HydrophobicContact CD2-CG 4.42Å; F243-K247 HydrophobicContact CE1-CG 3.74Å; F243-K247 HydrophobicContact CE2-CD 4.45Å; F243-K247 HydrophobicContact CE2-CG 4.05Å; F243-K247 HydrophobicContact CG-CG 4.47Å; F243-K247 HydrophobicContact CZ-CD 4.2Å; F243-K247 HydrophobicContact CZ-CG 3.69Å; F243-K247 WeakPolarHBondContact O-CB 3.5Å; F243-K247 WeakPolarHBondContact O-CG 3.43Å; F243-K247 PolarHBondContact O-N 2.9Å; L244-K247 PolarHBondContact O-N 3.44Å; K245-K247 VanDerWaalsContact C-N 3.33Å; K245-K247 PolarHBondContact O-N 3.1Å; K247-A249 VanDerWaalsContact C-N 3.32Å; K247-A249 PolarHBondContact O-N 3.18Å; K247-D250 IonicContact NZ-OD2 3.51Å; K247-D250 PolarHBondContact O-N 3.08Å; K247-D251 WeakPolarHBondContact O-CB 3.39Å; K247-D251 VanDerWaalsContact O-CG 3.31Å; K247-D251 PolarHBondContact O-N 3Å
248	L	50.5	Low	53.8	Low	118 Å²	118	100.6 Å²	100.6	62%	0.618	50%	0.5	S	S	*	.	H	α-helix	trans	-63.1	-39.6	174.3	-73	169.2	0	0	0	111.8	L244 K245 D251 E252	L244-L248 WeakPolarHBondContact O-CG 3.38Å; L244-L248 PolarHBondContact O-N 2.91Å; K245-L248 PolarHBondContact O-N 3.33Å; L248-D251 PolarHBondContact O-N 3.41Å; L248-E252 PolarHBondContact O-N 3.44Å
249	A	65.6	Low	53.7	Low	51 Å²	51	100.6 Å²	100.6	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-39.8	174.9	0	0	0	0	0	112.6	K245 Q246 K247 E252 L253	K245-A249 PolarHBondContact O-N 2.78Å; K245-A249 VanDerWaalsContact O-N 3.09Å; Q246-A249 PolarHBondContact O-N 3.19Å; K247-A249 VanDerWaalsContact C-N 3.32Å; K247-A249 PolarHBondContact O-N 3.18Å; A249-E252 PolarHBondContact O-N 3.24Å; A249-L253 WeakPolarHBondContact O-CB 3.4Å; A249-L253 PolarHBondContact O-N 3.22Å
250	D	53.9	Low	53.4	Low	62 Å²	62	96 Å²	96	33%	0.332	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-41.1	174.7	-66.6	-12	0	0	0	111.1	Q246 K247 D254	Q246-D250 PolarHBondContact NE2-OD1 2.92Å; Q246-D250 PolarHBondContact O-N 3.34Å; K247-D250 IonicContact NZ-OD2 3.51Å; K247-D250 PolarHBondContact O-N 3.08Å; D250-D254 WeakPolarHBondContact O-CB 3.37Å; D250-D254 PolarHBondContact O-N 2.81Å
251	D	51.4	Low	53.6	Low	97 Å²	97	97.3 Å²	97.3	52%	0.519	50%	0.496	S	S	.	.	H	α-helix	trans	-67.3	-40.1	178.1	-75.2	-15.2	0	0	0	111.8	K247 L248 D254 V255	K247-D251 WeakPolarHBondContact O-CB 3.39Å; K247-D251 VanDerWaalsContact O-CG 3.31Å; K247-D251 PolarHBondContact O-N 3Å; L248-D251 PolarHBondContact O-N 3.41Å; D251-D254 PolarHBondContact O-N 2.95Å; D251-V255 WeakPolarHBondContact O-CG2 3.41Å; D251-V255 PolarHBondContact O-N 3.42Å
252	E	63.4	Low	53.5	Low	136 Å²	136	96.7 Å²	96.7	64%	0.636	49%	0.493	S	S	*	.	H	α-helix	trans	-64.9	-43.9	175.9	-170.5	170.1	-161.8	0	0	111.4	L248 A249 D254 V255 E256	L248-E252 PolarHBondContact O-N 3.44Å; A249-E252 PolarHBondContact O-N 3.24Å; E252-D254 VanDerWaalsContact C-N 3.3Å; E252-D254 PolarHBondContact O-N 3.49Å; E252-V255 PolarHBondContact O-N 2.75Å; E252-E256 PolarHBondContact O-N 2.92Å; E252-E256 VanDerWaalsContact O-N 3.11Å
253	L	56.2	Low	53.5	Low	96 Å²	96	96 Å²	96	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-60.7	-38.8	173.3	-176.2	66.8	0	0	0	111.9	A249 E256 L257	A249-L253 WeakPolarHBondContact O-CB 3.4Å; A249-L253 PolarHBondContact O-N 3.22Å; L253-E256 PolarHBondContact O-N 3.47Å; L253-L257 HydrophobicContact CG-CD1 4.18Å; L253-L257 WeakPolarHBondContact O-CB 3.36Å; L253-L257 VanDerWaalsContact O-CG 3.3Å; L253-L257 WeakPolarHBondContact O-CG 3.08Å; L253-L257 PolarHBondContact O-N 3.4Å
254	D	49.7	Very low	54	Low	47 Å²	47	94.5 Å²	94.5	25%	0.251	48%	0.481	S	S	.	.	H	α-helix	trans	-66.2	-39.1	177.2	-169.2	54.6	0	0	0	112.1	D250 D251 E252 E256 L257 R258	D250-D254 WeakPolarHBondContact O-CB 3.37Å; D250-D254 PolarHBondContact O-N 2.81Å; D251-D254 PolarHBondContact O-N 2.95Å; E252-D254 VanDerWaalsContact C-N 3.3Å; E252-D254 PolarHBondContact O-N 3.49Å; D254-E256 PolarHBondContact O-N 3.31Å; D254-L257 PolarHBondContact O-N 3.41Å; D254-R258 WeakPolarHBondContact O-CB 3.47Å; D254-R258 VanDerWaalsContact O-CG 3.28Å; D254-R258 WeakPolarHBondContact O-CG 3.21Å; D254-R258 PolarHBondContact O-N 3.5Å; D254-R258 IonicContact OD1-NE 2.71Å; D254-R258 IonicContact OD2-CZ 3.83Å; D254-R258 IonicContact OD2-NE 3.17Å; D254-R258 PolarHBondContact OD2-NE 3.03Å; D254-R258 IonicContact OD2-NH2 2.67Å; D254-R258 PolarHBondContact OD2-NH2 2.76Å
255	V	61.1	Low	54.7	Low	97 Å²	97	93.9 Å²	93.9	59%	0.588	48%	0.481	S	S	*	.	H	α-helix	trans	-61.5	-43.6	174.2	171.9	0	0	0	0	111	D251 E252 R258 S259	D251-V255 WeakPolarHBondContact O-CG2 3.41Å; D251-V255 PolarHBondContact O-N 3.42Å; E252-V255 PolarHBondContact O-N 2.75Å; V255-R258 PolarHBondContact O-N 3.31Å; V255-S259 WeakPolarHBondContact O-CB 3.26Å; V255-S259 PolarHBondContact O-N 2.97Å
256	E	55.5	Low	54.7	Low	127 Å²	127	91.8 Å²	91.8	59%	0.593	47%	0.473	S	S	*	.	H	α-helix	trans	-62.8	-45.2	175.4	-70.2	-169.4	162.6	0	0	112.1	E252 L253 D254 R258 S259 A260	E252-E256 PolarHBondContact O-N 2.92Å; E252-E256 VanDerWaalsContact O-N 3.11Å; L253-E256 PolarHBondContact O-N 3.47Å; D254-E256 PolarHBondContact O-N 3.31Å; E256-R258 PolarHBondContact O-N 3.37Å; E256-S259 PolarHBondContact O-N 3.2Å; E256-A260 WeakPolarHBondContact O-CB 3.19Å; E256-A260 PolarHBondContact O-N 3.16Å
257	L	47.2	Very low	55.1	Low	103 Å²	103	91.1 Å²	91.1	54%	0.539	47%	0.466	S	S	.	.	H	α-helix	trans	-63.4	-40.6	178.4	-73.8	172.2	0	0	0	112.3	L253 D254 A260 W261	L253-L257 HydrophobicContact CG-CD1 4.18Å; L253-L257 WeakPolarHBondContact O-CB 3.36Å; L253-L257 VanDerWaalsContact O-CG 3.3Å; L253-L257 WeakPolarHBondContact O-CG 3.08Å; L253-L257 PolarHBondContact O-N 3.4Å; D254-L257 PolarHBondContact O-N 3.41Å; L257-A260 PolarHBondContact O-N 3.25Å; L257-W261 WeakPolarHBondContact O-CB 3.4Å; L257-W261 PolarHBondContact O-N 3.34Å
258	R	43.9	Very low	56.1	Low	109 Å²	109	94.1 Å²	94.1	41%	0.411	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-48.5	174.1	-75.7	175.5	-165.2	-136.5	-3.6	111.8	Q189 D254 V255 E256 A260 W261 E262	Q189-R258 VanDerWaalsContact CD-NH2 3.29Å; Q189-R258 VanDerWaalsContact NE2-NH2 3.14Å; D254-R258 WeakPolarHBondContact O-CB 3.47Å; D254-R258 VanDerWaalsContact O-CG 3.28Å; D254-R258 WeakPolarHBondContact O-CG 3.21Å; D254-R258 PolarHBondContact O-N 3.5Å; D254-R258 IonicContact OD1-NE 2.71Å; D254-R258 IonicContact OD2-CZ 3.83Å; D254-R258 IonicContact OD2-NE 3.17Å; D254-R258 PolarHBondContact OD2-NE 3.03Å; D254-R258 IonicContact OD2-NH2 2.67Å; D254-R258 PolarHBondContact OD2-NH2 2.76Å; V255-R258 PolarHBondContact O-N 3.31Å; E256-R258 PolarHBondContact O-N 3.37Å; R258-A260 VanDerWaalsContact C-N 3.29Å; R258-A260 PolarHBondContact O-N 3.42Å; R258-W261 PolarHBondContact O-N 3.37Å; R258-W261 VanDerWaalsContact O-N 3.12Å; R258-E262 WeakPolarHBondContact O-CG 3.3Å; R258-E262 PolarHBondContact O-N 3.48Å
259	S	55.5	Low	57	Low	60 Å²	60	91 Å²	91	42%	0.42	47%	0.465	S	S	.	.	H	α-helix	trans	-59.9	-43	177.5	-175.2	0	0	0	0	110.6	V255 E256 W261 N263	V255-S259 WeakPolarHBondContact O-CB 3.26Å; V255-S259 PolarHBondContact O-N 2.97Å; E256-S259 PolarHBondContact O-N 3.2Å; S259-W261 PolarHBondContact O-N 2.79Å; S259-N263 WeakPolarHBondContact O-CB 3.32Å; S259-N263 PolarHBondContact O-N 2.86Å; S259-N263 PolarHBondContact O-ND2 3.08Å
260	A	51.8	Low	57.6	Low	57 Å²	57	93 Å²	93	47%	0.471	47%	0.465	S	S	.	.	H	α-helix	trans	-62	-40.9	174.5	0	0	0	0	0	112.4	E256 L257 R258 C264	E256-A260 WeakPolarHBondContact O-CB 3.19Å; E256-A260 PolarHBondContact O-N 3.16Å; L257-A260 PolarHBondContact O-N 3.25Å; R258-A260 VanDerWaalsContact C-N 3.29Å; R258-A260 PolarHBondContact O-N 3.42Å; A260-C264 VanDerWaalsContact O-CB 3.31Å; A260-C264 WeakPolarHBondContact O-CB 3.45Å; A260-C264 PolarHBondContact O-N 2.9Å
261	W	44.4	Very low	58.7	Low	163 Å²	163	91.3 Å²	91.3	62%	0.617	46%	0.455	S	S	*	.	H	α-helix	trans	-67.6	-50.8	177.7	176.7	-100.1	0	0	0	112.8	L257 R258 S259 N263 C264 V265	L257-W261 WeakPolarHBondContact O-CB 3.4Å; L257-W261 PolarHBondContact O-N 3.34Å; R258-W261 PolarHBondContact O-N 3.37Å; R258-W261 VanDerWaalsContact O-N 3.12Å; S259-W261 PolarHBondContact O-N 2.79Å; W261-N263 VanDerWaalsContact C-N 3.27Å; W261-N263 PolarHBondContact O-N 2.91Å; W261-C264 CarbonylContact O-C 3.58Å; W261-C264 WeakPolarHBondContact O-CA 3.19Å; W261-C264 WeakPolarHBondContact O-CB 3.47Å; W261-C264 PolarHBondContact O-N 3.13Å; W261-V265 HydrophobicContact CD2-CG2 4.06Å; W261-V265 VanDerWaalsContact CE2-CG2 3.47Å; W261-V265 HydrophobicContact CG-CG2 4.36Å; W261-V265 HydrophobicContact CZ2-CG2 3.79Å; W261-V265 WeakPolarHBondContact O-CG2 3.47Å; W261-V265 PolarHBondContact O-N 3.38Å
262	E	48.1	Very low	60	Low	117 Å²	117	89.5 Å²	89.5	55%	0.547	45%	0.453	S	S	.	.	H	α-helix	trans	-58.1	-43.7	177.7	-73.8	-179.8	179.8	0	0	110.6	R258 C264 V265 Q266	R258-E262 WeakPolarHBondContact O-CG 3.3Å; R258-E262 PolarHBondContact O-N 3.48Å; E262-C264 VanDerWaalsContact C-N 3.32Å; E262-C264 PolarHBondContact O-N 2.93Å; E262-V265 PolarHBondContact O-N 3Å; E262-Q266 WeakPolarHBondContact O-CB 3.48Å; E262-Q266 VanDerWaalsContact O-CG 3.25Å; E262-Q266 WeakPolarHBondContact O-CG 3.43Å; E262-Q266 PolarHBondContact O-N 3.29Å
263	N	59.4	Low	60.9	Low	64 Å²	64	88.5 Å²	88.5	34%	0.342	45%	0.448	S	S	.	.	H	α-helix	trans	-59.9	-40.6	172.6	-78	-44.8	0	0	0	112.3	S259 W261 R267	S259-N263 WeakPolarHBondContact O-CB 3.32Å; S259-N263 PolarHBondContact O-N 2.86Å; S259-N263 PolarHBondContact O-ND2 3.08Å; W261-N263 VanDerWaalsContact C-N 3.27Å; W261-N263 PolarHBondContact O-N 2.91Å; N263-R267 WeakPolarHBondContact O-CB 3.41Å; N263-R267 WeakPolarHBondContact O-CG 3.31Å; N263-R267 PolarHBondContact O-N 3.42Å
264	C	59.1	Low	62.5	Low	43 Å²	43	83.9 Å²	83.9	29%	0.291	42%	0.424	S	S	.	.	H	α-helix	trans	-66.6	-46.2	177	-175.4	0	0	0	0	112.2	A260 W261 E262 R267 R268	A260-C264 VanDerWaalsContact O-CB 3.31Å; A260-C264 WeakPolarHBondContact O-CB 3.45Å; A260-C264 PolarHBondContact O-N 2.9Å; W261-C264 CarbonylContact O-C 3.58Å; W261-C264 WeakPolarHBondContact O-CA 3.19Å; W261-C264 WeakPolarHBondContact O-CB 3.47Å; W261-C264 PolarHBondContact O-N 3.13Å; E262-C264 VanDerWaalsContact C-N 3.32Å; E262-C264 PolarHBondContact O-N 2.93Å; C264-R267 PolarHBondContact O-N 3.5Å; C264-R268 WeakPolarHBondContact O-CG 3.22Å; C264-R268 PolarHBondContact O-N 2.92Å
265	V	59.2	Low	64.3	Low	66 Å²	66	83.4 Å²	83.4	40%	0.4	42%	0.423	S	S	.	.	H	α-helix	trans	-62.3	-46.3	178.3	172	0	0	0	0	110.6	W261 E262 R267 R268 A269	W261-V265 HydrophobicContact CD2-CG2 4.06Å; W261-V265 VanDerWaalsContact CE2-CG2 3.47Å; W261-V265 HydrophobicContact CG-CG2 4.36Å; W261-V265 HydrophobicContact CZ2-CG2 3.79Å; W261-V265 WeakPolarHBondContact O-CG2 3.47Å; W261-V265 PolarHBondContact O-N 3.38Å; E262-V265 PolarHBondContact O-N 3Å; V265-R267 PolarHBondContact O-N 2.8Å; V265-R268 PolarHBondContact O-N 3.05Å; V265-A269 WeakPolarHBondContact O-CB 3.36Å; V265-A269 PolarHBondContact O-N 3.36Å
266	Q	64.7	Low	65.6	Low	107 Å²	107	85.4 Å²	85.4	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176.5	-71.8	179.5	11.7	0	0	111.9	E262 A269 K270	E262-Q266 WeakPolarHBondContact O-CB 3.48Å; E262-Q266 VanDerWaalsContact O-CG 3.25Å; E262-Q266 WeakPolarHBondContact O-CG 3.43Å; E262-Q266 PolarHBondContact O-N 3.29Å; Q266-A269 PolarHBondContact O-N 3.39Å; Q266-K270 WeakPolarHBondContact O-CG 3.48Å; Q266-K270 PolarHBondContact O-N 3.19Å
267	R	66.1	Low	67.3	Low	102 Å²	102	82.8 Å²	82.8	39%	0.385	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-43.4	174.7	-76.5	179.5	-132.3	-179.2	1.9	112	N263 C264 V265 K270 F271 Y348	N263-R267 WeakPolarHBondContact O-CB 3.41Å; N263-R267 WeakPolarHBondContact O-CG 3.31Å; N263-R267 PolarHBondContact O-N 3.42Å; C264-R267 PolarHBondContact O-N 3.5Å; V265-R267 PolarHBondContact O-N 2.8Å; R267-K270 PolarHBondContact O-N 2.9Å; R267-F271 VanDerWaalsContact O-CB 3.29Å; R267-F271 WeakPolarHBondContact O-CB 3.28Å; R267-F271 PolarHBondContact O-N 3.29Å; R267-Y348 HydrophobicContact CB-CE1 4.38Å
268	R	71.1	Confident	69.4	Low	155 Å²	155	78 Å²	78	59%	0.585	38%	0.383	S	S	*	.	H	α-helix	trans	-64.1	-40.5	176.9	-76.6	-179.1	174.3	-174.9	0.4	112.4	C264 V265 F271 A272	C264-R268 WeakPolarHBondContact O-CG 3.22Å; C264-R268 PolarHBondContact O-N 2.92Å; V265-R268 PolarHBondContact O-N 3.05Å; R268-F271 PolarHBondContact O-N 2.98Å; R268-A272 WeakPolarHBondContact O-CB 3.42Å; R268-A272 PolarHBondContact O-N 2.81Å
269	A	69.4	Low	71.7	Confident	51 Å²	51	77.2 Å²	77.2	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-46.2	176.3	0	0	0	0	0	111.7	V265 Q266 A272 Q273	V265-A269 WeakPolarHBondContact O-CB 3.36Å; V265-A269 PolarHBondContact O-N 3.36Å; Q266-A269 PolarHBondContact O-N 3.39Å; A269-A272 PolarHBondContact O-N 2.93Å; A269-Q273 WeakPolarHBondContact O-CG 3.44Å; A269-Q273 PolarHBondContact O-N 3.44Å; A269-Q273 VanDerWaalsContact O-N 3.13Å
270	K	77.7	Confident	73.4	Confident	94 Å²	94	77.3 Å²	77.3	41%	0.409	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-46.8	173.6	-72.3	179.8	-179.5	-179.8	0	111.3	Q266 R267 A272 Q273 E274	Q266-K270 WeakPolarHBondContact O-CG 3.48Å; Q266-K270 PolarHBondContact O-N 3.19Å; R267-K270 PolarHBondContact O-N 2.9Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 3.02Å; K270-Q273 WeakPolarHBondContact O-CB 3.45Å; K270-Q273 PolarHBondContact O-N 2.84Å; K270-Q273 VanDerWaalsContact O-N 3.08Å; K270-E274 VanDerWaalsContact O-CG 3.28Å; K270-E274 WeakPolarHBondContact O-CG 3.35Å; K270-E274 PolarHBondContact O-N 3.36Å
271	F	76.9	Confident	75.1	Confident	27 Å²	27	74.6 Å²	74.6	12%	0.118	36%	0.357	C	S	.	.	H	α-helix	trans	-58.2	-41.8	176.4	-178.6	-95.2	0	0	0	112.5	R267 R268 Q273 E274 V275 L343 Q344 Y348	R267-F271 VanDerWaalsContact O-CB 3.29Å; R267-F271 WeakPolarHBondContact O-CB 3.28Å; R267-F271 PolarHBondContact O-N 3.29Å; R268-F271 PolarHBondContact O-N 2.98Å; F271-Q273 VanDerWaalsContact C-N 3.32Å; F271-Q273 PolarHBondContact O-N 3.48Å; F271-E274 WeakPolarHBondContact CA-OE2 3.22Å; F271-E274 PolarHBondContact O-N 3.44Å; F271-V275 HydrophobicContact CD1-CG2 3.99Å; F271-V275 HydrophobicContact CE1-CG2 3.52Å; F271-V275 HydrophobicContact CE2-CG2 4.3Å; F271-V275 HydrophobicContact CZ-CG2 3.69Å; F271-V275 VanDerWaalsContact O-CG2 3.31Å; F271-V275 WeakPolarHBondContact O-CG2 3.48Å; F271-V275 PolarHBondContact O-N 2.85Å; F271-L343 HydrophobicContact CD2-CD2 3.7Å; F271-L343 HydrophobicContact CD2-CG 3.89Å; F271-L343 HydrophobicContact CE2-CB 4.11Å; F271-L343 HydrophobicContact CE2-CD2 3.51Å; F271-L343 HydrophobicContact CE2-CG 3.65Å; F271-L343 HydrophobicContact CZ-CD2 4.31Å; F271-Q344 HydrophobicContact CE1-CG 4.48Å; F271-Q344 HydrophobicContact CE2-CB 4.45Å; F271-Q344 HydrophobicContact CE2-CG 3.53Å; F271-Q344 HydrophobicContact CZ-CG 3.42Å; F271-Q344 VanDerWaalsContact CZ-CG 3.42Å; F271-Y348 HydrophobicContact CB-CE2 4.29Å; F271-Y348 WeakPolarHBondContact CB-OH 3.44Å; F271-Y348 HydrophobicContact CD1-CE2 4.14Å; F271-Y348 HydrophobicContact CD2-CD2 4.4Å; F271-Y348 AromaticContact CD2-CE2 3.54Å; F271-Y348 HydrophobicContact CD2-CE2 3.54Å; F271-Y348 HydrophobicContact CE1-CE2 4.4Å; F271-Y348 HydrophobicContact CE2-CD2 4.48Å; F271-Y348 AromaticContact CE2-CE2 3.83Å; F271-Y348 HydrophobicContact CE2-CE2 3.83Å; F271-Y348 AromaticContact CG-CE2 3.71Å; F271-Y348 HydrophobicContact CG-CE2 3.71Å; F271-Y348 AromaticContact CG-CZ 3.89Å; F271-Y348 WeakPolarHBondContact CG-OH 3.36Å; F271-Y348 HydrophobicContact CZ-CE2 4.27Å
272	A	79.5	Confident	77.4	Confident	58 Å²	58	67.6 Å²	67.6	48%	0.479	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-37.7	176.1	0	0	0	0	0	112.4	R268 A269 K270 V275 K276	R268-A272 WeakPolarHBondContact O-CB 3.42Å; R268-A272 PolarHBondContact O-N 2.81Å; A269-A272 PolarHBondContact O-N 2.93Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 3.02Å; A272-V275 PolarHBondContact O-N 2.89Å; A272-K276 PolarHBondContact O-N 2.82Å
273	Q	83.1	Confident	79.4	Confident	115 Å²	115	66.7 Å²	66.7	54%	0.537	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-42.7	173.7	-67.1	175.1	-2.9	0	0	111.7	A269 K270 F271 K276 R277	A269-Q273 WeakPolarHBondContact O-CG 3.44Å; A269-Q273 PolarHBondContact O-N 3.44Å; A269-Q273 VanDerWaalsContact O-N 3.13Å; K270-Q273 WeakPolarHBondContact O-CB 3.45Å; K270-Q273 PolarHBondContact O-N 2.84Å; K270-Q273 VanDerWaalsContact O-N 3.08Å; F271-Q273 VanDerWaalsContact C-N 3.32Å; F271-Q273 PolarHBondContact O-N 3.48Å; Q273-K276 WeakPolarHBondContact O-CB 3.37Å; Q273-K276 PolarHBondContact O-N 2.86Å; Q273-R277 PolarHBondContact O-N 2.7Å
274	E	88.9	Confident	80.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-42.6	175.8	-66.2	161.8	178	0	0	110.8	K270 F271 R277 I278 L343 A384 C388 R389	K270-E274 VanDerWaalsContact O-CG 3.28Å; K270-E274 WeakPolarHBondContact O-CG 3.35Å; K270-E274 PolarHBondContact O-N 3.36Å; F271-E274 WeakPolarHBondContact CA-OE2 3.22Å; F271-E274 PolarHBondContact O-N 3.44Å; E274-R277 WeakPolarHBondContact O-CB 3.02Å; E274-R277 PolarHBondContact O-N 3.07Å; E274-I278 WeakPolarHBondContact O-CG1 3.08Å; E274-I278 PolarHBondContact O-N 2.72Å; E274-L343 HydrophobicContact CB-CD1 4.33Å; E274-L343 HydrophobicContact CB-CD2 3.52Å; E274-L343 WeakPolarHBondContact OE2-CD1 3.11Å; E274-A384 WeakPolarHBondContact O-CB 3.16Å; E274-C388 HydrophobicContact CG-CB 3.71Å; E274-R389 IonicContact OE1-NE 3.78Å; E274-R389 PolarHBondContact OE1-NE 3.35Å; E274-R389 IonicContact OE1-NH2 2.99Å
275	V	86.6	Confident	82.4	Confident	37 Å²	37	62.1 Å²	62.1	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-42.8	174.4	173.1	0	0	0	0	111.8	F271 A272 R277 I278 M279 T340 L343	F271-V275 HydrophobicContact CD1-CG2 3.99Å; F271-V275 HydrophobicContact CE1-CG2 3.52Å; F271-V275 HydrophobicContact CE2-CG2 4.3Å; F271-V275 HydrophobicContact CZ-CG2 3.69Å; F271-V275 VanDerWaalsContact O-CG2 3.31Å; F271-V275 WeakPolarHBondContact O-CG2 3.48Å; F271-V275 PolarHBondContact O-N 2.85Å; A272-V275 PolarHBondContact O-N 2.89Å; V275-R277 VanDerWaalsContact C-N 3.28Å; V275-R277 PolarHBondContact O-N 3.39Å; V275-I278 WeakPolarHBondContact O-CB 3.48Å; V275-I278 PolarHBondContact O-N 3.21Å; V275-M279 WeakPolarHBondContact O-CG 3.27Å; V275-M279 PolarHBondContact O-N 2.96Å; V275-M279 VanDerWaalsContact O-N 3.16Å; V275-T340 HydrophobicContact CG1-CG2 4.38Å; V275-T340 HydrophobicContact CG2-CG2 4.12Å; V275-L343 HydrophobicContact CG2-CD2 4.22Å
276	K	89.8	Confident	84	Confident	138 Å²	138	63.1 Å²	63.1	60%	0.6	30%	0.299	S	S	*	.	H	α-helix	trans	-59.5	-42.5	174	-176	-176.1	173	-172.8	0	110.8	A272 Q273 I278 M279 E280	A272-K276 PolarHBondContact O-N 2.82Å; Q273-K276 WeakPolarHBondContact O-CB 3.37Å; Q273-K276 PolarHBondContact O-N 2.86Å; K276-I278 PolarHBondContact O-N 2.9Å; K276-M279 WeakPolarHBondContact O-CB 3.33Å; K276-M279 PolarHBondContact O-N 3.27Å; K276-M279 VanDerWaalsContact O-N 3.13Å; K276-E280 WeakPolarHBondContact CE-OE1 3.39Å; K276-E280 PolarHBondContact O-N 2.96Å; K276-E280 VanDerWaalsContact O-N 3.1Å
277	R	91.1	Very high	85.2	Confident	73 Å²	73	65 Å²	65	28%	0.275	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-39.2	176.6	-174.8	68.6	81.8	179.8	19	111.9	Q273 E274 V275 M279 E280 L281 A384 Y421	Q273-R277 PolarHBondContact O-N 2.7Å; E274-R277 WeakPolarHBondContact O-CB 3.02Å; E274-R277 PolarHBondContact O-N 3.07Å; V275-R277 VanDerWaalsContact C-N 3.28Å; V275-R277 PolarHBondContact O-N 3.39Å; R277-M279 VanDerWaalsContact C-N 3.25Å; R277-M279 PolarHBondContact O-N 2.91Å; R277-E280 WeakPolarHBondContact CD-OE2 3.28Å; R277-E280 IonicContact CZ-OE2 2.64Å; R277-E280 IonicContact NE-OE2 2.89Å; R277-E280 IonicContact NH1-OE2 3.89Å; R277-E280 PolarHBondContact NH1-OE2 3.3Å; R277-E280 WeakPolarHBondContact O-CB 3.35Å; R277-E280 PolarHBondContact O-N 3.15Å; R277-E280 VanDerWaalsContact O-N 3.16Å; R277-L281 HydrophobicContact CG-CD1 4.18Å; R277-L281 HydrophobicContact CG-CG 4.34Å; R277-L281 WeakPolarHBondContact O-CB 3.26Å; R277-L281 VanDerWaalsContact O-CG 3.24Å; R277-L281 WeakPolarHBondContact O-CG 3.42Å; R277-L281 PolarHBondContact O-N 2.9Å; R277-A384 HydrophobicContact CB-CB 3.89Å; R277-A384 HydrophobicContact CG-CB 3.82Å; R277-Y421 PolarHBondContact NH1-OH 3.36Å
278	I	91.3	Very high	86.4	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-56.4	-41.1	172.5	-69.3	165.5	0	0	0	111.1	E274 V275 K276 L281 Y282 Y335 I336 L343 A381 A384	E274-I278 WeakPolarHBondContact O-CG1 3.08Å; E274-I278 PolarHBondContact O-N 2.72Å; V275-I278 WeakPolarHBondContact O-CB 3.48Å; V275-I278 PolarHBondContact O-N 3.21Å; K276-I278 PolarHBondContact O-N 2.9Å; I278-L281 PolarHBondContact O-N 3.28Å; I278-Y282 WeakPolarHBondContact O-CB 3.37Å; I278-Y282 PolarHBondContact O-N 3.47Å; I278-Y335 HydrophobicContact CG2-CE1 4.49Å; I278-I336 HydrophobicContact CG2-CD1 4.18Å; I278-L343 HydrophobicContact CD1-CD2 3.89Å; I278-A381 HydrophobicContact CD1-CB 4.35Å; I278-A384 HydrophobicContact CD1-CB 4.49Å; I278-A384 HydrophobicContact CG1-CB 3.66Å
279	M	92.4	Very high	87.5	Confident	93 Å²	93	55.5 Å²	55.5	46%	0.458	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-39.2	177.7	-61.9	-65.2	-63.5	0	0	112.3	V275 K276 R277 Y282 I336	V275-M279 WeakPolarHBondContact O-CG 3.27Å; V275-M279 PolarHBondContact O-N 2.96Å; V275-M279 VanDerWaalsContact O-N 3.16Å; K276-M279 WeakPolarHBondContact O-CB 3.33Å; K276-M279 PolarHBondContact O-N 3.27Å; K276-M279 VanDerWaalsContact O-N 3.13Å; R277-M279 VanDerWaalsContact C-N 3.25Å; R277-M279 PolarHBondContact O-N 2.91Å; M279-Y282 PolarHBondContact O-N 3.05Å; M279-I336 HydrophobicContact CE-CD1 4.46Å; M279-I336 HydrophobicContact SD-CD1 3.43Å; M279-I336 WeakPolarHBondContact SD-CD1 3.48Å; M279-I336 HydrophobicContact SD-CG1 3.87Å; M279-I336 HydrophobicContact SD-CG2 3.99Å
280	E	89.6	Confident	88.6	Confident	62 Å²	62	57.3 Å²	57.3	29%	0.29	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-46.4	174.5	-68.4	168.8	-171.5	0	0	111	K276 R277 Y282 Q283	K276-E280 WeakPolarHBondContact CE-OE1 3.39Å; K276-E280 PolarHBondContact O-N 2.96Å; K276-E280 VanDerWaalsContact O-N 3.1Å; R277-E280 WeakPolarHBondContact CD-OE2 3.28Å; R277-E280 IonicContact CZ-OE2 2.64Å; R277-E280 IonicContact NE-OE2 2.89Å; R277-E280 IonicContact NH1-OE2 3.89Å; R277-E280 PolarHBondContact NH1-OE2 3.3Å; R277-E280 WeakPolarHBondContact O-CB 3.35Å; R277-E280 PolarHBondContact O-N 3.15Å; R277-E280 VanDerWaalsContact O-N 3.16Å; E280-Y282 VanDerWaalsContact C-N 3.29Å; E280-Y282 PolarHBondContact O-N 3.12Å; E280-Q283 WeakPolarHBondContact O-CB 3.35Å; E280-Q283 WeakPolarHBondContact O-CG 3.43Å; E280-Q283 PolarHBondContact O-N 3.18Å
281	L	89.1	Confident	89.2	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-42.6	175.5	-69.7	175.6	0	0	0	110	R277 I278 Q283 P284 A380 L383 A384 W417 Y421	R277-L281 HydrophobicContact CG-CD1 4.18Å; R277-L281 HydrophobicContact CG-CG 4.34Å; R277-L281 WeakPolarHBondContact O-CB 3.26Å; R277-L281 VanDerWaalsContact O-CG 3.24Å; R277-L281 WeakPolarHBondContact O-CG 3.42Å; R277-L281 PolarHBondContact O-N 2.9Å; I278-L281 PolarHBondContact O-N 3.28Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 3.43Å; L281-Q283 VanDerWaalsContact O-N 3.15Å; L281-P284 WeakPolarHBondContact O-CD 3.46Å; L281-A380 HydrophobicContact CB-CB 4.49Å; L281-A380 HydrophobicContact CD1-CB 4.33Å; L281-A380 WeakPolarHBondContact CD1-O 3.47Å; L281-L383 HydrophobicContact CD1-CB 4.27Å; L281-L383 HydrophobicContact CD1-CD2 4.27Å; L281-L383 HydrophobicContact CD1-CG 4.42Å; L281-L383 HydrophobicContact CD2-CD2 4.02Å; L281-A384 HydrophobicContact CD1-CB 4.13Å; L281-W417 VanDerWaalsContact C-CZ2 3.44Å; L281-W417 HydrophobicContact CB-CH2 3.87Å; L281-W417 HydrophobicContact CB-CZ2 3.38Å; L281-W417 HydrophobicContact CD2-CD2 3.52Å; L281-W417 HydrophobicContact CD2-CE3 4.05Å; L281-W417 HydrophobicContact CD2-CG 3.93Å; L281-W417 HydrophobicContact CD2-CH2 4.39Å; L281-W417 HydrophobicContact CD2-CZ2 3.89Å; L281-W417 HydrophobicContact CD2-CZ3 4.43Å; L281-W417 HydrophobicContact CG-CZ2 4.14Å; L281-W417 WeakPolarHBondContact O-CZ2 3.5Å; L281-W417 PolarHBondContact O-NE1 3.41Å; L281-Y421 HydrophobicContact CD2-CD2 4.03Å; L281-Y421 HydrophobicContact CD2-CE2 3.72Å
282	Y	91.6	Very high	90	Very high	15 Å²	15	56.8 Å²	56.8	6%	0.059	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-20.9	-178.6	176.5	-109.6	0	0	0	116	I278 M279 E280 I285 E286 L289 T331 Y335 I336	I278-Y282 WeakPolarHBondContact O-CB 3.37Å; I278-Y282 PolarHBondContact O-N 3.47Å; M279-Y282 PolarHBondContact O-N 3.05Å; E280-Y282 VanDerWaalsContact C-N 3.29Å; E280-Y282 PolarHBondContact O-N 3.12Å; Y282-I285 HydrophobicContact CD2-CB 4.18Å; Y282-I285 HydrophobicContact CD2-CG2 4.07Å; Y282-I285 HydrophobicContact CE2-CB 4.33Å; Y282-I285 HydrophobicContact CE2-CG2 3.77Å; Y282-I285 WeakPolarHBondContact O-CB 3.13Å; Y282-I285 PolarHBondContact O-N 3.12Å; Y282-I285 VanDerWaalsContact O-N 3.11Å; Y282-E286 HydrophobicContact CD1-CB 4.04Å; Y282-E286 HydrophobicContact CE1-CB 3.68Å; Y282-E286 HydrophobicContact CE1-CG 3.95Å; Y282-E286 PolarHBondContact O-N 2.56Å; Y282-L289 HydrophobicContact CE2-CD1 3.94Å; Y282-L289 WeakPolarHBondContact OH-CD1 3.49Å; Y282-T331 HydrophobicContact CE2-CG2 4.43Å; Y282-Y335 AromaticContact CD2-CD1 3.45Å; Y282-Y335 HydrophobicContact CD2-CD1 3.45Å; Y282-Y335 VanDerWaalsContact CD2-CD1 3.45Å; Y282-Y335 HydrophobicContact CD2-CD2 4.21Å; Y282-Y335 AromaticContact CD2-CE1 3.68Å; Y282-Y335 HydrophobicContact CD2-CE1 3.68Å; Y282-Y335 HydrophobicContact CD2-CE2 4.42Å; Y282-Y335 AromaticContact CD2-CG 3.71Å; Y282-Y335 HydrophobicContact CD2-CG 3.71Å; Y282-Y335 HydrophobicContact CE2-CD1 4.11Å; Y282-Y335 HydrophobicContact CE2-CD2 4.46Å; Y282-Y335 AromaticContact CE2-CG 3.95Å; Y282-Y335 HydrophobicContact CE2-CG 3.95Å; Y282-Y335 HydrophobicContact CG-CD1 4.18Å; Y282-Y335 HydrophobicContact CG-CE1 4.23Å; Y282-I336 HydrophobicContact CD1-CD1 4.14Å; Y282-I336 HydrophobicContact CD2-CD1 4.34Å; Y282-I336 HydrophobicContact CG-CD1 3.91Å
283	Q	91.3	Very high	90.7	Very high	99 Å²	99	55.3 Å²	55.3	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-53.4	-40.4	-174.2	-68.2	-172.5	-13.2	0	0	117.1	E280 L281 I285 E286 K287	E280-Q283 WeakPolarHBondContact O-CB 3.35Å; E280-Q283 WeakPolarHBondContact O-CG 3.43Å; E280-Q283 PolarHBondContact O-N 3.18Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 3.43Å; L281-Q283 VanDerWaalsContact O-N 3.15Å; Q283-I285 VanDerWaalsContact C-N 3.32Å; Q283-I285 PolarHBondContact O-N 2.85Å; Q283-E286 PolarHBondContact O-N 2.89Å; Q283-K287 PolarHBondContact O-N 3.13Å; Q283-K287 VanDerWaalsContact O-N 3.15Å
284	P	88.5	Confident	91.1	Very high	11 Å²	11	58.5 Å²	58.5	7%	0.071	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-36.9	179.6	-11.6	27.7	0	0	0	111.1	L281 L288 Q416	L281-P284 WeakPolarHBondContact O-CD 3.46Å; P284-L288 PolarHBondContact O-N 2.92Å; P284-Q416 HydrophobicContact CG-CB 4.24Å; P284-Q416 HydrophobicContact CG-CG 4.4Å
285	I	91.6	Very high	91.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-46.9	173.7	-69	173	0	0	0	109.2	Y282 Q283 K287 L288 L289 T331 Y335 Y409 F413	Y282-I285 HydrophobicContact CD2-CB 4.18Å; Y282-I285 HydrophobicContact CD2-CG2 4.07Å; Y282-I285 HydrophobicContact CE2-CB 4.33Å; Y282-I285 HydrophobicContact CE2-CG2 3.77Å; Y282-I285 WeakPolarHBondContact O-CB 3.13Å; Y282-I285 PolarHBondContact O-N 3.12Å; Y282-I285 VanDerWaalsContact O-N 3.11Å; Q283-I285 VanDerWaalsContact C-N 3.32Å; Q283-I285 PolarHBondContact O-N 2.85Å; I285-K287 VanDerWaalsContact C-N 3.27Å; I285-K287 PolarHBondContact O-N 3.47Å; I285-L288 WeakPolarHBondContact O-CA 3.49Å; I285-L288 WeakPolarHBondContact O-CB 3.33Å; I285-L288 PolarHBondContact O-N 2.92Å; I285-L289 HydrophobicContact CG2-CD1 3.71Å; I285-L289 HydrophobicContact CG2-CD2 4.5Å; I285-L289 HydrophobicContact CG2-CG 3.92Å; I285-L289 VanDerWaalsContact O-CG 3.24Å; I285-L289 WeakPolarHBondContact O-CG 3.36Å; I285-L289 PolarHBondContact O-N 3.46Å; I285-T331 HydrophobicContact CG2-CG2 3.62Å; I285-Y335 HydrophobicContact CD1-CD2 4.18Å; I285-Y335 HydrophobicContact CD1-CE2 3.37Å; I285-Y409 HydrophobicContact CG2-CD1 4.06Å; I285-F413 HydrophobicContact CD1-CD1 4.31Å
286	E	92.6	Very high	91.4	Very high	86 Å²	86	61.9 Å²	61.9	40%	0.402	31%	0.307	S	S	.	.	H	α-helix	trans	-54.6	-41.1	178.9	-170.5	172.3	-143.3	0	0	113	Y282 Q283 L288 L289 N290	Y282-E286 HydrophobicContact CD1-CB 4.04Å; Y282-E286 HydrophobicContact CE1-CB 3.68Å; Y282-E286 HydrophobicContact CE1-CG 3.95Å; Y282-E286 PolarHBondContact O-N 2.56Å; Q283-E286 PolarHBondContact O-N 2.89Å; E286-L288 PolarHBondContact O-N 3.38Å; E286-L289 PolarHBondContact O-N 3.43Å; E286-N290 WeakPolarHBondContact O-CB 3.37Å; E286-N290 VanDerWaalsContact O-CG 3.26Å; E286-N290 PolarHBondContact O-N 3.29Å; E286-N290 PolarHBondContact O-ND2 3.4Å
287	K	91.1	Very high	91.2	Very high	146 Å²	146	66.4 Å²	66.4	64%	0.635	32%	0.32	S	S	*	.	H	α-helix	trans	-60.3	-45.4	174.8	-70.2	175.3	-176	173.5	0	112.2	Q283 I285 N290 S291	Q283-K287 PolarHBondContact O-N 3.13Å; Q283-K287 VanDerWaalsContact O-N 3.15Å; I285-K287 VanDerWaalsContact C-N 3.27Å; I285-K287 PolarHBondContact O-N 3.47Å; K287-N290 PolarHBondContact O-N 3.24Å; K287-S291 PolarHBondContact O-N 3.47Å
288	L	91.7	Very high	91.1	Very high	57 Å²	57	71.3 Å²	71.3	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-45.4	176.4	178.2	60.5	0	0	0	111.1	P284 I285 E286 N290 S291 T292 N408 Y409 A412	P284-L288 PolarHBondContact O-N 2.92Å; I285-L288 WeakPolarHBondContact O-CA 3.49Å; I285-L288 WeakPolarHBondContact O-CB 3.33Å; I285-L288 PolarHBondContact O-N 2.92Å; E286-L288 PolarHBondContact O-N 3.38Å; L288-N290 PolarHBondContact O-N 2.9Å; L288-S291 WeakPolarHBondContact O-CB 3.27Å; L288-S291 PolarHBondContact O-N 3.45Å; L288-T292 PolarHBondContact O-N 3.33Å; L288-T292 VanDerWaalsContact O-N 3.08Å; L288-T292 PolarHBondContact O-OG1 2.86Å; L288-N408 HydrophobicContact CD2-CB 4.36Å; L288-Y409 HydrophobicContact CD2-CD1 3.67Å; L288-Y409 HydrophobicContact CD2-CE1 3.83Å; L288-Y409 HydrophobicContact CD2-CG 4.36Å; L288-Y409 HydrophobicContact CG-CD1 4.4Å; L288-Y409 HydrophobicContact CG-CE1 4.18Å; L288-A412 HydrophobicContact CD2-CB 4.33Å
289	L	93.6	Very high	91.1	Very high	1 Å²	1	77.1 Å²	77.1	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-59.1	-46	178.4	-64.3	175.4	0	0	0	112.2	Y282 I285 E286 S291 T292 L293 A328 T331 R332 Y409	Y282-L289 HydrophobicContact CE2-CD1 3.94Å; Y282-L289 WeakPolarHBondContact OH-CD1 3.49Å; I285-L289 HydrophobicContact CG2-CD1 3.71Å; I285-L289 HydrophobicContact CG2-CD2 4.5Å; I285-L289 HydrophobicContact CG2-CG 3.92Å; I285-L289 VanDerWaalsContact O-CG 3.24Å; I285-L289 WeakPolarHBondContact O-CG 3.36Å; I285-L289 PolarHBondContact O-N 3.46Å; E286-L289 PolarHBondContact O-N 3.43Å; L289-S291 PolarHBondContact O-N 2.92Å; L289-T292 PolarHBondContact O-N 2.97Å; L289-L293 WeakPolarHBondContact O-CB 3.33Å; L289-L293 VanDerWaalsContact O-CG 3.26Å; L289-L293 WeakPolarHBondContact O-CG 3.39Å; L289-L293 PolarHBondContact O-N 2.87Å; L289-A328 HydrophobicContact CD2-CB 3.74Å; L289-A328 WeakPolarHBondContact CD2-O 3.47Å; L289-T331 HydrophobicContact CD1-CG2 3.85Å; L289-T331 HydrophobicContact CD2-CG2 4.02Å; L289-T331 HydrophobicContact CG-CG2 4.44Å; L289-R332 HydrophobicContact CD1-CB 4.27Å; L289-Y409 HydrophobicContact CD2-CD1 4.19Å; L289-Y409 HydrophobicContact CD2-CE1 3.38Å; L289-Y409 HydrophobicContact CG-CE1 4.23Å
290	N	92.9	Very high	91.1	Very high	90 Å²	90	79.6 Å²	79.6	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-36.6	179.3	-74	-25.6	0	0	0	111.5	E286 K287 L288 K294	E286-N290 WeakPolarHBondContact O-CB 3.37Å; E286-N290 VanDerWaalsContact O-CG 3.26Å; E286-N290 PolarHBondContact O-N 3.29Å; E286-N290 PolarHBondContact O-ND2 3.4Å; K287-N290 PolarHBondContact O-N 3.24Å; L288-N290 PolarHBondContact O-N 2.9Å; N290-K294 WeakPolarHBondContact O-CB 3.47Å; N290-K294 PolarHBondContact O-N 2.95Å
291	S	90.9	Very high	91.3	Very high	84 Å²	84	76.6 Å²	76.6	59%	0.587	36%	0.364	S	S	*	.	H	α-helix	trans	-65.4	-49.3	174.1	-166.9	0	0	0	0	112	K287 L288 L289 K294 S295	K287-S291 PolarHBondContact O-N 3.47Å; L288-S291 WeakPolarHBondContact O-CB 3.27Å; L288-S291 PolarHBondContact O-N 3.45Å; L289-S291 PolarHBondContact O-N 2.92Å; S291-K294 PolarHBondContact O-N 3.27Å; S291-S295 PolarHBondContact O-N 3.04Å
292	T	92.7	Very high	91.5	Very high	25 Å²	25	78.1 Å²	78.1	15%	0.153	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-40.8	-178.5	-54.3	0	0	0	0	112.1	L288 L289 S295 D296 D324 T325 A328	L288-T292 PolarHBondContact O-N 3.33Å; L288-T292 VanDerWaalsContact O-N 3.08Å; L288-T292 PolarHBondContact O-OG1 2.86Å; L289-T292 PolarHBondContact O-N 2.97Å; T292-S295 PolarHBondContact O-N 2.83Å; T292-S295 PolarHBondContact O-OG 2.82Å; T292-D296 PolarHBondContact O-N 3.18Å; T292-D324 HydrophobicContact CG2-CB 4.26Å; T292-T325 HydrophobicContact CG2-CG2 4.47Å; T292-A328 HydrophobicContact CG2-CB 3.8Å
293	L	93.4	Very high	91.7	Very high	27 Å²	27	81 Å²	81	14%	0.141	39%	0.393	C	S	.	.	H	α-helix	trans	-75.4	-27.9	-178.6	-66.1	173.8	0	0	0	112.4	L289 S295 D296 A328 T329	L289-L293 WeakPolarHBondContact O-CB 3.33Å; L289-L293 VanDerWaalsContact O-CG 3.26Å; L289-L293 WeakPolarHBondContact O-CG 3.39Å; L289-L293 PolarHBondContact O-N 2.87Å; L293-S295 PolarHBondContact O-N 3.39Å; L293-D296 PolarHBondContact O-N 3.24Å; L293-D296 VanDerWaalsContact O-N 3.1Å; L293-A328 HydrophobicContact CD1-CB 4.47Å; L293-A328 HydrophobicContact CD2-CB 3.76Å; L293-A328 HydrophobicContact CG-CB 3.86Å; L293-T329 WeakPolarHBondContact CD2-OG1 3.39Å
294	K	92.4	Very high	91.9	Very high	182 Å²	182	77.4 Å²	77.4	79%	0.791	38%	0.377	S	S	*	.	H	α-helix	trans	-64.4	-30.1	172.4	-174.4	176.9	-179.5	-178.9	0	112.3	N290 S291	N290-K294 WeakPolarHBondContact O-CB 3.47Å; N290-K294 PolarHBondContact O-N 2.95Å; S291-K294 PolarHBondContact O-N 3.27Å
295	S	88.9	Confident	92.2	Very high	87 Å²	87	78.7 Å²	78.7	61%	0.608	38%	0.38	S	S	*	.	H	α-helix	trans	-77.5	-17.3	172.1	45	0	0	0	0	114.2	S291 T292 L293 R297	S291-S295 PolarHBondContact O-N 3.04Å; T292-S295 PolarHBondContact O-N 2.83Å; T292-S295 PolarHBondContact O-OG 2.82Å; L293-S295 PolarHBondContact O-N 3.39Å; S295-R297 VanDerWaalsContact C-N 3.29Å; S295-R297 PolarHBondContact O-N 3.41Å
296	D	92.1	Very high	92.3	Very high	21 Å²	21	86.1 Å²	86.1	11%	0.112	41%	0.408	C	S	.	.			trans	-83.7	62.8	-179.9	-169.7	25.1	0	0	0	112.4	T292 L293 E298 Q299 R300 G301 T325	T292-D296 PolarHBondContact O-N 3.18Å; L293-D296 PolarHBondContact O-N 3.24Å; L293-D296 VanDerWaalsContact O-N 3.1Å; D296-E298 PolarHBondContact O-N 3.02Å; D296-Q299 PolarHBondContact O-N 3.42Å; D296-R300 WeakPolarHBondContact OD1-CB 3.44Å; D296-R300 PolarHBondContact OD1-N 3.11Å; D296-R300 PolarHBondContact OD2-N 2.94Å; D296-R300 VanDerWaalsContact OD2-N 3.13Å; D296-G301 PolarHBondContact OD2-N 3.06Å; D296-T325 HydrophobicContact CB-CG2 3.65Å
297	R	86.8	Confident	92.3	Very high	233 Å²	233	86 Å²	86	88%	0.879	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-32.5	-175.3	-66	-173.5	-179.7	-177.7	1.2	113.6	S295 Q299	S295-R297 VanDerWaalsContact C-N 3.29Å; S295-R297 PolarHBondContact O-N 3.41Å; R297-Q299 VanDerWaalsContact C-N 3.3Å
298	E	88.8	Confident	92.2	Very high	176 Å²	176	80 Å²	80	82%	0.822	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	2.7	-178.3	-63.1	178.5	176.2	0	0	113.1	D296 R300	D296-E298 PolarHBondContact O-N 3.02Å; E298-R300 PolarHBondContact O-N 2.93Å
299	Q	91.1	Very high	92	Very high	123 Å²	123	79.6 Å²	79.6	58%	0.575	39%	0.391	S	S	*	.			trans	53.4	34.4	-176.1	-53.6	-172.8	1.2	0	0	113.1	D296 R297 G301 Q302 S303	D296-Q299 PolarHBondContact O-N 3.42Å; R297-Q299 VanDerWaalsContact C-N 3.3Å; Q299-G301 VanDerWaalsContact C-N 3.26Å; Q299-G301 PolarHBondContact O-N 2.96Å; Q299-Q302 HydrophobicContact CB-CB 4.19Å; Q299-Q302 WeakPolarHBondContact O-CB 3.43Å; Q299-Q302 PolarHBondContact O-N 3.37Å; Q299-Q302 VanDerWaalsContact O-N 3.07Å; Q299-S303 PolarHBondContact O-N 3.21Å; Q299-S303 VanDerWaalsContact O-N 3.07Å
300	R	92.5	Very high	91.7	Very high	145 Å²	145	88 Å²	88	55%	0.547	43%	0.427	S	S	.	.	H	α-helix	trans	-59.1	-40.9	-178.4	-179.4	-179.4	173.4	-173.7	-0.4	110.9	D296 E298 Q302 S303 L304	D296-R300 WeakPolarHBondContact OD1-CB 3.44Å; D296-R300 PolarHBondContact OD1-N 3.11Å; D296-R300 PolarHBondContact OD2-N 2.94Å; D296-R300 VanDerWaalsContact OD2-N 3.13Å; E298-R300 PolarHBondContact O-N 2.93Å; R300-Q302 VanDerWaalsContact C-N 3.27Å; R300-Q302 PolarHBondContact O-N 3.14Å; R300-S303 PolarHBondContact O-N 2.99Å; R300-L304 HydrophobicContact CG-CD1 4.09Å; R300-L304 HydrophobicContact CG-CG 4.42Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 3.02Å
301	G	93.5	Very high	91.2	Very high	0 Å²	0	86.7 Å²	86.7	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-60.6	-38.3	177.7	0	0	0	0	0	112.2	D296 Q299 Y305 T325	D296-G301 PolarHBondContact OD2-N 3.06Å; Q299-G301 VanDerWaalsContact C-N 3.26Å; Q299-G301 PolarHBondContact O-N 2.96Å; G301-Y305 VanDerWaalsContact O-CB 3.3Å; G301-Y305 WeakPolarHBondContact O-CB 3.47Å; G301-Y305 PolarHBondContact O-N 2.87Å; G301-T325 PolarHBondContact N-OG1 3.49Å
302	Q	94.5	Very high	90.4	Very high	32 Å²	32	90 Å²	90	15%	0.15	42%	0.419	C	S	.	.	H	α-helix	trans	-70.4	-36.2	177.4	-170.4	57.3	66	0	0	112.8	Q299 R300 R306	Q299-Q302 HydrophobicContact CB-CB 4.19Å; Q299-Q302 WeakPolarHBondContact O-CB 3.43Å; Q299-Q302 PolarHBondContact O-N 3.37Å; Q299-Q302 VanDerWaalsContact O-N 3.07Å; R300-Q302 VanDerWaalsContact C-N 3.27Å; R300-Q302 PolarHBondContact O-N 3.14Å; Q302-R306 WeakPolarHBondContact O-CG 3.38Å; Q302-R306 PolarHBondContact O-N 3.44Å; Q302-R306 VanDerWaalsContact O-N 3.14Å
303	S	94.8	Very high	89.7	Confident	75 Å²	75	96.8 Å²	96.8	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-52.7	173.9	-170.1	0	0	0	0	111	Q299 R300 Y305 R306 E307	Q299-S303 PolarHBondContact O-N 3.21Å; Q299-S303 VanDerWaalsContact O-N 3.07Å; R300-S303 PolarHBondContact O-N 2.99Å; S303-Y305 VanDerWaalsContact C-N 3.3Å; S303-Y305 PolarHBondContact O-N 3.41Å; S303-R306 PolarHBondContact O-N 2.84Å; S303-R306 VanDerWaalsContact O-N 3.13Å; S303-E307 PolarHBondContact O-N 3.5Å; S303-E307 VanDerWaalsContact O-N 3.12Å
304	L	94.9	Very high	89	Confident	24 Å²	24	97.6 Å²	97.6	13%	0.126	44%	0.444	C	S	.	.	H	α-helix	trans	-59.2	-39.9	178	-66.9	173.7	0	0	0	111.9	R300 E307 W308 Y320 N323 F326	R300-L304 HydrophobicContact CG-CD1 4.09Å; R300-L304 HydrophobicContact CG-CG 4.42Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 3.02Å; L304-E307 PolarHBondContact O-N 3.35Å; L304-W308 VanDerWaalsContact O-CB 3.3Å; L304-W308 WeakPolarHBondContact O-CB 3.39Å; L304-W308 PolarHBondContact O-N 2.93Å; L304-Y320 HydrophobicContact CB-CD2 4Å; L304-Y320 HydrophobicContact CB-CE2 4.08Å; L304-Y320 HydrophobicContact CD2-CD1 4.35Å; L304-Y320 HydrophobicContact CD2-CD2 4.14Å; L304-Y320 HydrophobicContact CD2-CE1 3.95Å; L304-Y320 HydrophobicContact CD2-CE2 3.7Å; L304-Y320 HydrophobicContact CD2-CG 4.45Å; L304-Y320 HydrophobicContact CG-CE2 4.5Å; L304-N323 HydrophobicContact CD1-CB 4.32Å; L304-F326 HydrophobicContact CB-CB 4.36Å; L304-F326 HydrophobicContact CB-CD2 3.65Å; L304-F326 HydrophobicContact CB-CE2 4.46Å; L304-F326 HydrophobicContact CB-CG 4.42Å; L304-F326 HydrophobicContact CD1-CB 4.11Å
305	Y	94.9	Very high	88.2	Confident	38 Å²	38	91.7 Å²	91.7	15%	0.149	42%	0.42	C	S	.	.	H	α-helix	trans	-65.1	-39	177.1	-176.1	-98	0	0	0	113.1	G301 S303 W308 G309 F326 T329 Y330 Q333 R334	G301-Y305 VanDerWaalsContact O-CB 3.3Å; G301-Y305 WeakPolarHBondContact O-CB 3.47Å; G301-Y305 PolarHBondContact O-N 2.87Å; S303-Y305 VanDerWaalsContact C-N 3.3Å; S303-Y305 PolarHBondContact O-N 3.41Å; Y305-W308 HydrophobicContact CD2-CE3 4.35Å; Y305-W308 HydrophobicContact CE2-CE3 4.09Å; Y305-W308 HydrophobicContact CE2-CZ3 4.21Å; Y305-W308 PolarHBondContact O-N 3.26Å; Y305-G309 PolarHBondContact O-N 2.83Å; Y305-F326 HydrophobicContact CD2-CE2 4.41Å; Y305-T329 HydrophobicContact CD1-CG2 4.41Å; Y305-T329 HydrophobicContact CD2-CG2 4.46Å; Y305-T329 HydrophobicContact CG-CG2 3.94Å; Y305-Y330 HydrophobicContact CD2-CD2 4.43Å; Y305-Y330 HydrophobicContact CE2-CD2 4.11Å; Y305-Q333 HydrophobicContact CD1-CG 4.29Å; Y305-Q333 HydrophobicContact CE1-CB 3.93Å; Y305-Q333 HydrophobicContact CE1-CG 3.84Å; Y305-Q333 HydrophobicContact CE2-CB 4.09Å; Y305-Q333 WeakPolarHBondContact OH-CB 3.42Å; Y305-R334 HydrophobicContact CE2-CG 4.16Å; Y305-R334 WeakPolarHBondContact OH-CD 3.43Å
306	R	93.6	Very high	87.7	Confident	156 Å²	156	91.7 Å²	91.7	59%	0.589	42%	0.419	S	S	*	.	H	α-helix	trans	-65.3	-42.2	176.4	-73.9	176.1	-166.7	166.5	6.8	111.4	Q302 S303 G309 K310	Q302-R306 WeakPolarHBondContact O-CG 3.38Å; Q302-R306 PolarHBondContact O-N 3.44Å; Q302-R306 VanDerWaalsContact O-N 3.14Å; S303-R306 PolarHBondContact O-N 2.84Å; S303-R306 VanDerWaalsContact O-N 3.13Å; R306-G309 PolarHBondContact O-N 2.93Å; R306-K310 WeakPolarHBondContact O-CG 3.28Å; R306-K310 PolarHBondContact O-N 2.71Å
307	E	92.6	Very high	87.3	Confident	83 Å²	83	91.4 Å²	91.4	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-47.3	175.2	-174	-178.8	-176.1	0	0	111.2	S303 L304 G309 K310 I311 Y320	S303-E307 PolarHBondContact O-N 3.5Å; S303-E307 VanDerWaalsContact O-N 3.12Å; L304-E307 PolarHBondContact O-N 3.35Å; E307-G309 PolarHBondContact O-N 2.94Å; E307-K310 WeakPolarHBondContact O-CB 3.18Å; E307-K310 PolarHBondContact O-N 3.22Å; E307-I311 PolarHBondContact O-N 2.88Å; E307-Y320 HydrophobicContact CB-CE2 4.35Å; E307-Y320 HydrophobicContact CG-CE2 4.44Å; E307-Y320 PolarHBondContact OE1-OH 3.26Å; E307-Y320 PolarHBondContact OE2-OH 3.01Å
308	W	90.2	Very high	87.1	Confident	22 Å²	22	82.4 Å²	82.4	8%	0.083	39%	0.386	C	S	.	.	H	α-helix	trans	-53.4	-42.2	173.8	179.3	93.3	0	0	0	111.8	L304 Y305 K310 I311 K314 L317 Y320 Y321 F326 Y330	L304-W308 VanDerWaalsContact O-CB 3.3Å; L304-W308 WeakPolarHBondContact O-CB 3.39Å; L304-W308 PolarHBondContact O-N 2.93Å; Y305-W308 HydrophobicContact CD2-CE3 4.35Å; Y305-W308 HydrophobicContact CE2-CE3 4.09Å; Y305-W308 HydrophobicContact CE2-CZ3 4.21Å; Y305-W308 PolarHBondContact O-N 3.26Å; W308-K310 VanDerWaalsContact C-N 3.3Å; W308-K310 PolarHBondContact O-N 3.09Å; W308-I311 PolarHBondContact O-N 3.14Å; W308-K314 HydrophobicContact CD2-CD 4.32Å; W308-K314 HydrophobicContact CZ2-CD 3.85Å; W308-K314 HydrophobicContact CZ2-CG 4.17Å; W308-K314 PolarHBondContact O-NZ 2.79Å; W308-L317 HydrophobicContact CB-CD1 4.06Å; W308-L317 HydrophobicContact CG-CD1 4.3Å; W308-Y320 HydrophobicContact CB-CD2 4.19Å; W308-Y321 AromaticContact NE1-CZ 3.7Å; W308-Y321 PolarHBondContact NE1-OH 3.16Å; W308-F326 HydrophobicContact CB-CE2 3.66Å; W308-F326 HydrophobicContact CB-CZ 3.99Å; W308-F326 AromaticContact CD1-CZ 3.66Å; W308-F326 HydrophobicContact CD2-CZ 4.22Å; W308-F326 AromaticContact CG-CE2 3.9Å; W308-F326 HydrophobicContact CG-CE2 3.9Å; W308-F326 AromaticContact CG-CZ 3.69Å; W308-F326 HydrophobicContact CG-CZ 3.69Å; W308-Y330 HydrophobicContact CH2-CD2 4.47Å; W308-Y330 AromaticContact CH2-CE2 3.77Å; W308-Y330 HydrophobicContact CH2-CE2 3.77Å; W308-Y330 HydrophobicContact CZ2-CD2 4.5Å; W308-Y330 AromaticContact CZ2-CE2 3.8Å; W308-Y330 HydrophobicContact CZ2-CE2 3.8Å; W308-Y330 HydrophobicContact CZ3-CE2 4.27Å
309	G	87.9	Confident	87	Confident	48 Å²	48	77.5 Å²	77.5	50%	0.495	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-31.4	176.7	0	0	0	0	0	114.6	Y305 R306 E307	Y305-G309 PolarHBondContact O-N 2.83Å; R306-G309 PolarHBondContact O-N 2.93Å; E307-G309 PolarHBondContact O-N 2.94Å
310	K	86.5	Confident	87.1	Confident	176 Å²	176	73.6 Å²	73.6	77%	0.765	36%	0.356	S	S	*	.	H	α-helix	trans	-79.5	-32.6	-179.6	-67.8	172.6	-177.5	-177.5	0	113.1	R306 E307 W308	R306-K310 WeakPolarHBondContact O-CG 3.28Å; R306-K310 PolarHBondContact O-N 2.71Å; E307-K310 WeakPolarHBondContact O-CB 3.18Å; E307-K310 PolarHBondContact O-N 3.22Å; W308-K310 VanDerWaalsContact C-N 3.3Å; W308-K310 PolarHBondContact O-N 3.09Å
311	I	82.3	Confident	87	Confident	63 Å²	63	68.1 Å²	68.1	32%	0.323	34%	0.335	S	S	.	.			trans	-79.2	126.6	-176.6	-60.1	-54.1	0	0	0	110.2	E307 W308 R313 K314 L317	E307-I311 PolarHBondContact O-N 2.88Å; W308-I311 PolarHBondContact O-N 3.14Å; I311-R313 VanDerWaalsContact CG2-O 3.31Å; I311-R313 WeakPolarHBondContact CG2-O 3.39Å; I311-K314 WeakPolarHBondContact O-CD 3.23Å; I311-K314 WeakPolarHBondContact O-CE 3.46Å; I311-K314 PolarHBondContact O-NZ 2.82Å; I311-L317 HydrophobicContact CB-CD1 3.68Å; I311-L317 HydrophobicContact CB-CG 4.4Å; I311-L317 HydrophobicContact CG1-CD1 3.75Å; I311-L317 HydrophobicContact CG1-CG 4.44Å; I311-L317 HydrophobicContact CG2-CD1 4.1Å; I311-L317 HydrophobicContact CG2-CG 4.31Å
312	R	74.4	Confident	86.8	Confident	154 Å²	154	73.1 Å²	73.1	58%	0.581	36%	0.362	S	S	*	.	S	Bend	trans	-72.7	-46.9	179.4	-171.4	177.7	-179.7	-165.4	-6.6	112.6	K314 E480	R312-K314 PolarHBondContact O-N 2.75Å; R312-E480 IonicContact CZ-OE1 3.99Å; R312-E480 VanDerWaalsContact CZ-OE1 3.28Å; R312-E480 IonicContact CZ-OE2 3.76Å; R312-E480 IonicContact NH1-OE1 2.83Å; R312-E480 PolarHBondContact NH1-OE1 3.1Å; R312-E480 VanDerWaalsContact NH1-OE1 3.16Å; R312-E480 IonicContact NH1-OE2 3.8Å; R312-E480 PolarHBondContact NH1-OE2 3.02Å; R312-E480 IonicContact NH2-OE1 3.91Å; R312-E480 PolarHBondContact NH2-OE1 2.96Å; R312-E480 IonicContact NH2-OE2 3.76Å; R312-E480 PolarHBondContact NH2-OE2 2.91Å
313	R	76.8	Confident	86.8	Confident	167 Å²	167	73 Å²	73	63%	0.63	36%	0.363	S	S	*	.			trans	-82	90.7	178.8	-77.4	-166.8	-77.5	-176.2	-3.7	110.8	I311 E315 C316	I311-R313 VanDerWaalsContact CG2-O 3.31Å; I311-R313 WeakPolarHBondContact CG2-O 3.39Å; R313-E315 VanDerWaalsContact CA-OE2 3.25Å; R313-E315 WeakPolarHBondContact CA-OE2 3.39Å; R313-E315 VanDerWaalsContact CB-CD 3.48Å; R313-E315 HydrophobicContact CB-CG 4.38Å; R313-E315 WeakPolarHBondContact CB-OE1 3.33Å; R313-E315 WeakPolarHBondContact CD-OE1 3.3Å; R313-E315 WeakPolarHBondContact CG-OE1 3.43Å; R313-E315 PolarHBondContact O-N 2.92Å; R313-C316 PolarHBondContact O-N 3.31Å
314	K	80.1	Confident	86.8	Confident	44 Å²	44	73.5 Å²	73.5	19%	0.191	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-66	-21.8	-175.7	-55.9	-50.2	-170.3	-172.3	0	112.7	W308 I311 R312 C316 L317	W308-K314 HydrophobicContact CD2-CD 4.32Å; W308-K314 HydrophobicContact CZ2-CD 3.85Å; W308-K314 HydrophobicContact CZ2-CG 4.17Å; W308-K314 PolarHBondContact O-NZ 2.79Å; I311-K314 WeakPolarHBondContact O-CD 3.23Å; I311-K314 WeakPolarHBondContact O-CE 3.46Å; I311-K314 PolarHBondContact O-NZ 2.82Å; R312-K314 PolarHBondContact O-N 2.75Å; K314-C316 PolarHBondContact O-N 3.47Å; K314-L317 PolarHBondContact O-N 2.91Å
315	E	75.1	Confident	86.8	Confident	58 Å²	58	73.4 Å²	73.4	27%	0.271	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-59.7	-26.7	174.4	64.8	-87.2	-161.6	0	0	113.7	R313 L317 L318 N453 L456	R313-E315 VanDerWaalsContact CA-OE2 3.25Å; R313-E315 WeakPolarHBondContact CA-OE2 3.39Å; R313-E315 VanDerWaalsContact CB-CD 3.48Å; R313-E315 HydrophobicContact CB-CG 4.38Å; R313-E315 WeakPolarHBondContact CB-OE1 3.33Å; R313-E315 WeakPolarHBondContact CD-OE1 3.3Å; R313-E315 WeakPolarHBondContact CG-OE1 3.43Å; R313-E315 PolarHBondContact O-N 2.92Å; E315-L317 PolarHBondContact O-N 2.77Å; E315-L318 WeakPolarHBondContact O-CG 3.2Å; E315-N453 PolarHBondContact OE2-ND2 3.11Å; E315-L456 HydrophobicContact CB-CD1 3.82Å; E315-L456 HydrophobicContact CB-CD2 4.38Å
316	C	77.9	Confident	86.9	Confident	87 Å²	87	71.6 Å²	71.6	59%	0.588	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-74.3	-12.3	175.5	-60.6	0	0	0	0	112.8	R313 K314	R313-C316 PolarHBondContact O-N 3.31Å; K314-C316 PolarHBondContact O-N 3.47Å
317	L	83.5	Confident	87	Confident	15 Å²	15	64.6 Å²	64.6	8%	0.079	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-119.4	21.8	-173.8	-58.9	-177.3	0	0	0	112.4	W308 I311 K314 E315 A319 Y320	W308-L317 HydrophobicContact CB-CD1 4.06Å; W308-L317 HydrophobicContact CG-CD1 4.3Å; I311-L317 HydrophobicContact CB-CD1 3.68Å; I311-L317 HydrophobicContact CB-CG 4.4Å; I311-L317 HydrophobicContact CG1-CD1 3.75Å; I311-L317 HydrophobicContact CG1-CG 4.44Å; I311-L317 HydrophobicContact CG2-CD1 4.1Å; I311-L317 HydrophobicContact CG2-CG 4.31Å; K314-L317 PolarHBondContact O-N 2.91Å; E315-L317 PolarHBondContact O-N 2.77Å; L317-A319 PolarHBondContact O-N 2.89Å; L317-Y320 HydrophobicContact CB-CD2 4.32Å; L317-Y320 HydrophobicContact CB-CG 4.27Å; L317-Y320 HydrophobicContact CD1-CD2 4.36Å; L317-Y320 HydrophobicContact CD1-CE2 4.23Å; L317-Y320 HydrophobicContact CD2-CE1 4.13Å; L317-Y320 HydrophobicContact CD2-CE2 4.09Å; L317-Y320 VanDerWaalsContact O-CB 3.31Å; L317-Y320 WeakPolarHBondContact O-CB 3.38Å; L317-Y320 PolarHBondContact O-N 3.46Å
318	L	82.5	Confident	87.2	Confident	44 Å²	44	60.6 Å²	60.6	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-33.2	-178.1	-66.6	-176.5	0	0	0	112.6	E315 Y320 Y321	E315-L318 WeakPolarHBondContact O-CG 3.2Å; L318-Y320 PolarHBondContact O-N 2.93Å; L318-Y320 VanDerWaalsContact O-N 3.09Å; L318-Y321 HydrophobicContact CD2-CD2 4.04Å; L318-Y321 HydrophobicContact CD2-CE2 3.87Å; L318-Y321 WeakPolarHBondContact O-CB 3.2Å; L318-Y321 WeakPolarHBondContact O-CD2 3.22Å; L318-Y321 PolarHBondContact O-N 2.58Å
319	A	87.4	Confident	87.4	Confident	73 Å²	73	59.6 Å²	59.6	60%	0.603	30%	0.304	S	S	*	.	H	α-helix	trans	-60	-19.3	175.1	0	0	0	0	0	113.7	L317 Y321 D322	L317-A319 PolarHBondContact O-N 2.89Å; A319-Y321 VanDerWaalsContact C-N 3.29Å; A319-D322 PolarHBondContact O-N 3.4Å
320	Y	92.5	Very high	87.8	Confident	42 Å²	42	58.5 Å²	58.5	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-70.1	-33	177.5	-73.3	16.8	0	0	0	110.4	L304 E307 W308 L317 L318 D322 N323 F326	L304-Y320 HydrophobicContact CB-CD2 4Å; L304-Y320 HydrophobicContact CB-CE2 4.08Å; L304-Y320 HydrophobicContact CD2-CD1 4.35Å; L304-Y320 HydrophobicContact CD2-CD2 4.14Å; L304-Y320 HydrophobicContact CD2-CE1 3.95Å; L304-Y320 HydrophobicContact CD2-CE2 3.7Å; L304-Y320 HydrophobicContact CD2-CG 4.45Å; L304-Y320 HydrophobicContact CG-CE2 4.5Å; E307-Y320 HydrophobicContact CB-CE2 4.35Å; E307-Y320 HydrophobicContact CG-CE2 4.44Å; E307-Y320 PolarHBondContact OE1-OH 3.26Å; E307-Y320 PolarHBondContact OE2-OH 3.01Å; W308-Y320 HydrophobicContact CB-CD2 4.19Å; L317-Y320 HydrophobicContact CB-CD2 4.32Å; L317-Y320 HydrophobicContact CB-CG 4.27Å; L317-Y320 HydrophobicContact CD1-CD2 4.36Å; L317-Y320 HydrophobicContact CD1-CE2 4.23Å; L317-Y320 HydrophobicContact CD2-CE1 4.13Å; L317-Y320 HydrophobicContact CD2-CE2 4.09Å; L317-Y320 VanDerWaalsContact O-CB 3.31Å; L317-Y320 WeakPolarHBondContact O-CB 3.38Å; L317-Y320 PolarHBondContact O-N 3.46Å; L318-Y320 PolarHBondContact O-N 2.93Å; L318-Y320 VanDerWaalsContact O-N 3.09Å; Y320-D322 PolarHBondContact O-N 3.27Å; Y320-N323 WeakPolarHBondContact O-CB 3.47Å; Y320-N323 PolarHBondContact O-N 2.98Å; Y320-F326 VanDerWaalsContact C-CD1 3.42Å; Y320-F326 HydrophobicContact CD2-CD2 4.21Å; Y320-F326 AromaticContact CD2-CE2 3.98Å; Y320-F326 HydrophobicContact CD2-CE2 3.98Å; Y320-F326 HydrophobicContact CG-CE2 4.5Å; Y320-F326 WeakPolarHBondContact O-CB 3.27Å; Y320-F326 WeakPolarHBondContact O-CD1 3.35Å; Y320-F326 WeakPolarHBondContact O-CG 3.28Å
321	Y	90.8	Very high	88.2	Confident	29 Å²	29	50.1 Å²	50.1	11%	0.114	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-25.6	176.5	-62.5	-69	0	0	0	112.2	W308 L318 A319 N323 F326 R327 Y330 C403 W406	W308-Y321 AromaticContact NE1-CZ 3.7Å; W308-Y321 PolarHBondContact NE1-OH 3.16Å; L318-Y321 HydrophobicContact CD2-CD2 4.04Å; L318-Y321 HydrophobicContact CD2-CE2 3.87Å; L318-Y321 WeakPolarHBondContact O-CB 3.2Å; L318-Y321 WeakPolarHBondContact O-CD2 3.22Å; L318-Y321 PolarHBondContact O-N 2.58Å; A319-Y321 VanDerWaalsContact C-N 3.29Å; Y321-N323 PolarHBondContact O-N 3.47Å; Y321-F326 HydrophobicContact CD1-CD1 4.41Å; Y321-F326 AromaticContact CD1-CE1 3.64Å; Y321-F326 HydrophobicContact CD1-CE1 3.64Å; Y321-F326 AromaticContact CE1-CE1 3.82Å; Y321-F326 HydrophobicContact CE1-CE1 3.82Å; Y321-F326 HydrophobicContact CE1-CZ 4.39Å; Y321-F326 HydrophobicContact CG-CE1 4.29Å; Y321-R327 WeakPolarHBondContact O-CD 3.19Å; Y321-R327 WeakPolarHBondContact O-CG 3.41Å; Y321-R327 PolarHBondContact O-NH1 3.36Å; Y321-Y330 HydrophobicContact CE1-CD2 4.38Å; Y321-Y330 HydrophobicContact CE1-CE2 4.26Å; Y321-C403 VanDerWaalsContact C-SG 3.6Å; Y321-C403 PolarHBondContact O-SG 2.9Å; Y321-W406 HydrophobicContact CD1-CH2 4.45Å; Y321-W406 AromaticContact CD1-CZ2 3.57Å; Y321-W406 HydrophobicContact CD1-CZ2 3.57Å; Y321-W406 HydrophobicContact CE1-CZ2 4.08Å
322	D	90	Very high	88.8	Confident	106 Å²	106	52.4 Å²	52.4	57%	0.567	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.9	175.7	-62.9	-34.4	0	0	0	113.1	A319 Y320 R327	A319-D322 PolarHBondContact O-N 3.4Å; Y320-D322 PolarHBondContact O-N 3.27Å; D322-R327 PolarHBondContact O-NH1 2.87Å
323	N	94.1	Very high	89.7	Confident	29 Å²	29	48.9 Å²	48.9	16%	0.155	24%	0.243	C	C	.	.			trans	-84.8	121.6	176.2	-176.9	-72.9	0	0	0	112.4	L304 Y320 Y321 T325 F326 R327	L304-N323 HydrophobicContact CD1-CB 4.32Å; Y320-N323 WeakPolarHBondContact O-CB 3.47Å; Y320-N323 PolarHBondContact O-N 2.98Å; Y321-N323 PolarHBondContact O-N 3.47Å; N323-T325 PolarHBondContact O-N 3.5Å; N323-T325 PolarHBondContact OD1-N 2.87Å; N323-T325 PolarHBondContact OD1-OG1 2.9Å; N323-F326 HydrophobicContact CB-CB 3.95Å; N323-F326 WeakPolarHBondContact O-CB 3.46Å; N323-F326 PolarHBondContact O-N 2.91Å; N323-F326 PolarHBondContact OD1-N 2.84Å; N323-R327 PolarHBondContact O-N 3.21Å
324	D	94.8	Very high	90.4	Very high	86 Å²	86	44.5 Å²	44.5	46%	0.46	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-43	-178	-69.2	23.6	0	0	0	113.8	T292 R327 A328	T292-D324 HydrophobicContact CG2-CB 4.26Å; D324-R327 VanDerWaalsContact CG-NH2 3.27Å; D324-R327 PolarHBondContact O-N 3.47Å; D324-R327 IonicContact OD1-CZ 2.87Å; D324-R327 IonicContact OD1-NH1 3.99Å; D324-R327 PolarHBondContact OD1-NH1 3.16Å; D324-R327 IonicContact OD1-NH2 2.92Å; D324-R327 PolarHBondContact OD1-NH2 3.45Å; D324-R327 IonicContact OD2-NH2 3.88Å; D324-A328 WeakPolarHBondContact O-CB 3.4Å; D324-A328 PolarHBondContact O-N 3.31Å
325	T	95.8	Very high	91	Very high	21 Å²	21	42.5 Å²	42.5	13%	0.129	22%	0.218	C	C	.	.	H	α-helix	trans	-74.7	-31.6	-177.9	66.7	0	0	0	0	111.7	T292 D296 G301 N323 T329	T292-T325 HydrophobicContact CG2-CG2 4.47Å; D296-T325 HydrophobicContact CB-CG2 3.65Å; G301-T325 PolarHBondContact N-OG1 3.49Å; N323-T325 PolarHBondContact O-N 3.5Å; N323-T325 PolarHBondContact OD1-N 2.87Å; N323-T325 PolarHBondContact OD1-OG1 2.9Å; T325-T329 WeakPolarHBondContact O-CB 3.28Å; T325-T329 PolarHBondContact O-N 3.03Å; T325-T329 PolarHBondContact O-OG1 2.77Å
326	F	96.1	Very high	91.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-51.3	167.1	175	-93	0	0	0	111.3	L304 Y305 W308 Y320 Y321 N323 A328 T329 Y330	L304-F326 HydrophobicContact CB-CB 4.36Å; L304-F326 HydrophobicContact CB-CD2 3.65Å; L304-F326 HydrophobicContact CB-CE2 4.46Å; L304-F326 HydrophobicContact CB-CG 4.42Å; L304-F326 HydrophobicContact CD1-CB 4.11Å; Y305-F326 HydrophobicContact CD2-CE2 4.41Å; W308-F326 HydrophobicContact CB-CE2 3.66Å; W308-F326 HydrophobicContact CB-CZ 3.99Å; W308-F326 AromaticContact CD1-CZ 3.66Å; W308-F326 HydrophobicContact CD2-CZ 4.22Å; W308-F326 AromaticContact CG-CE2 3.9Å; W308-F326 HydrophobicContact CG-CE2 3.9Å; W308-F326 AromaticContact CG-CZ 3.69Å; W308-F326 HydrophobicContact CG-CZ 3.69Å; Y320-F326 VanDerWaalsContact C-CD1 3.42Å; Y320-F326 HydrophobicContact CD2-CD2 4.21Å; Y320-F326 AromaticContact CD2-CE2 3.98Å; Y320-F326 HydrophobicContact CD2-CE2 3.98Å; Y320-F326 HydrophobicContact CG-CE2 4.5Å; Y320-F326 WeakPolarHBondContact O-CB 3.27Å; Y320-F326 WeakPolarHBondContact O-CD1 3.35Å; Y320-F326 WeakPolarHBondContact O-CG 3.28Å; Y321-F326 HydrophobicContact CD1-CD1 4.41Å; Y321-F326 AromaticContact CD1-CE1 3.64Å; Y321-F326 HydrophobicContact CD1-CE1 3.64Å; Y321-F326 AromaticContact CE1-CE1 3.82Å; Y321-F326 HydrophobicContact CE1-CE1 3.82Å; Y321-F326 HydrophobicContact CE1-CZ 4.39Å; Y321-F326 HydrophobicContact CG-CE1 4.29Å; N323-F326 HydrophobicContact CB-CB 3.95Å; N323-F326 WeakPolarHBondContact O-CB 3.46Å; N323-F326 PolarHBondContact O-N 2.91Å; N323-F326 PolarHBondContact OD1-N 2.84Å; F326-A328 VanDerWaalsContact C-N 3.26Å; F326-A328 PolarHBondContact O-N 2.89Å; F326-T329 CarbonylContact O-C 3.6Å; F326-T329 PolarHBondContact O-N 3.33Å; F326-T329 VanDerWaalsContact O-N 3.1Å; F326-Y330 HydrophobicContact CE1-CD2 4.37Å; F326-Y330 HydrophobicContact CZ-CD2 4.25Å; F326-Y330 WeakPolarHBondContact O-CB 3.39Å; F326-Y330 PolarHBondContact O-N 3.16Å
327	R	95.7	Very high	92.3	Very high	9 Å²	9	42 Å²	42	3%	0.034	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-41.6	178.1	-72	-163.4	-60.1	-73.9	0.3	111.9	Y321 D322 N323 D324 Y330 T331 G405 W406 Y409	Y321-R327 WeakPolarHBondContact O-CD 3.19Å; Y321-R327 WeakPolarHBondContact O-CG 3.41Å; Y321-R327 PolarHBondContact O-NH1 3.36Å; D322-R327 PolarHBondContact O-NH1 2.87Å; N323-R327 PolarHBondContact O-N 3.21Å; D324-R327 VanDerWaalsContact CG-NH2 3.27Å; D324-R327 PolarHBondContact O-N 3.47Å; D324-R327 IonicContact OD1-CZ 2.87Å; D324-R327 IonicContact OD1-NH1 3.99Å; D324-R327 PolarHBondContact OD1-NH1 3.16Å; D324-R327 IonicContact OD1-NH2 2.92Å; D324-R327 PolarHBondContact OD1-NH2 3.45Å; D324-R327 IonicContact OD2-NH2 3.88Å; R327-Y330 PolarHBondContact O-N 2.97Å; R327-T331 WeakPolarHBondContact O-CB 3.4Å; R327-T331 PolarHBondContact O-N 2.75Å; R327-T331 PolarHBondContact O-OG1 2.76Å; R327-G405 PolarHBondContact NE-O 3.16Å; R327-W406 HydrophobicContact CB-CE3 4.45Å; R327-W406 HydrophobicContact CB-CH2 3.93Å; R327-W406 HydrophobicContact CB-CZ3 3.74Å; R327-W406 HydrophobicContact CG-CE3 4.36Å; R327-W406 HydrophobicContact CG-CH2 3.78Å; R327-W406 HydrophobicContact CG-CZ2 4.16Å; R327-W406 HydrophobicContact CG-CZ3 3.89Å; R327-Y409 HydrophobicContact CB-CE2 3.95Å
328	A	96.2	Very high	92.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-43.3	177.2	0	0	0	0	0	111.7	L289 T292 L293 D324 F326 T331 R332 Y409	L289-A328 HydrophobicContact CD2-CB 3.74Å; L289-A328 WeakPolarHBondContact CD2-O 3.47Å; T292-A328 HydrophobicContact CG2-CB 3.8Å; L293-A328 HydrophobicContact CD1-CB 4.47Å; L293-A328 HydrophobicContact CD2-CB 3.76Å; L293-A328 HydrophobicContact CG-CB 3.86Å; D324-A328 WeakPolarHBondContact O-CB 3.4Å; D324-A328 PolarHBondContact O-N 3.31Å; F326-A328 VanDerWaalsContact C-N 3.26Å; F326-A328 PolarHBondContact O-N 2.89Å; A328-T331 PolarHBondContact O-N 3.06Å; A328-R332 WeakPolarHBondContact O-CB 3.46Å; A328-R332 PolarHBondContact O-N 2.87Å; A328-Y409 WeakPolarHBondContact CA-OH 3.31Å; A328-Y409 PolarHBondContact N-OH 3.1Å
329	T	96.2	Very high	93.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-44.9	176.6	-59.4	0	0	0	0	111.5	L293 Y305 T325 F326 T331 R332 Q333	L293-T329 WeakPolarHBondContact CD2-OG1 3.39Å; Y305-T329 HydrophobicContact CD1-CG2 4.41Å; Y305-T329 HydrophobicContact CD2-CG2 4.46Å; Y305-T329 HydrophobicContact CG-CG2 3.94Å; T325-T329 WeakPolarHBondContact O-CB 3.28Å; T325-T329 PolarHBondContact O-N 3.03Å; T325-T329 PolarHBondContact O-OG1 2.77Å; F326-T329 CarbonylContact O-C 3.6Å; F326-T329 PolarHBondContact O-N 3.33Å; F326-T329 VanDerWaalsContact O-N 3.1Å; T329-T331 PolarHBondContact O-N 2.69Å; T329-R332 PolarHBondContact O-N 3.43Å; T329-Q333 HydrophobicContact CG2-CG 4.34Å; T329-Q333 WeakPolarHBondContact O-CB 3.22Å; T329-Q333 WeakPolarHBondContact O-CG 3.33Å; T329-Q333 PolarHBondContact O-N 3.27Å
330	Y	95.3	Very high	93.4	Very high	24 Å²	24	37 Å²	37	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-56.8	-51.5	176.6	178.2	-81.5	0	0	0	110.4	Y305 W308 Y321 F326 R327 R332 Q333 R334 W406	Y305-Y330 HydrophobicContact CD2-CD2 4.43Å; Y305-Y330 HydrophobicContact CE2-CD2 4.11Å; W308-Y330 HydrophobicContact CH2-CD2 4.47Å; W308-Y330 AromaticContact CH2-CE2 3.77Å; W308-Y330 HydrophobicContact CH2-CE2 3.77Å; W308-Y330 HydrophobicContact CZ2-CD2 4.5Å; W308-Y330 AromaticContact CZ2-CE2 3.8Å; W308-Y330 HydrophobicContact CZ2-CE2 3.8Å; W308-Y330 HydrophobicContact CZ3-CE2 4.27Å; Y321-Y330 HydrophobicContact CE1-CD2 4.38Å; Y321-Y330 HydrophobicContact CE1-CE2 4.26Å; F326-Y330 HydrophobicContact CE1-CD2 4.37Å; F326-Y330 HydrophobicContact CZ-CD2 4.25Å; F326-Y330 WeakPolarHBondContact O-CB 3.39Å; F326-Y330 PolarHBondContact O-N 3.16Å; R327-Y330 PolarHBondContact O-N 2.97Å; Y330-R332 PolarHBondContact O-N 2.86Å; Y330-Q333 PolarHBondContact O-N 2.89Å; Y330-Q333 VanDerWaalsContact O-N 3.16Å; Y330-R334 HydrophobicContact CD1-CB 4.25Å; Y330-R334 HydrophobicContact CD1-CG 4.39Å; Y330-R334 HydrophobicContact CD2-CG 4.12Å; Y330-R334 HydrophobicContact CE1-CB 3.93Å; Y330-R334 HydrophobicContact CE1-CG 4.18Å; Y330-R334 HydrophobicContact CE2-CG 3.93Å; Y330-R334 HydrophobicContact CG-CG 4.34Å; Y330-R334 VanDerWaalsContact O-CB 3.24Å; Y330-R334 WeakPolarHBondContact O-CB 3.48Å; Y330-R334 WeakPolarHBondContact O-CG 3.5Å; Y330-R334 PolarHBondContact O-N 2.9Å; Y330-W406 AromaticContact CD1-CH2 3.6Å; Y330-W406 HydrophobicContact CD1-CH2 3.6Å; Y330-W406 HydrophobicContact CD1-CZ2 4.29Å; Y330-W406 HydrophobicContact CD1-CZ3 4.42Å; Y330-W406 HydrophobicContact CE1-CH2 4.19Å; Y330-W406 HydrophobicContact CG-CH2 4.17Å
331	T	95.4	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-49.1	-179.3	-54.7	0	0	0	0	110.7	Y282 I285 L289 R327 A328 T329 Q333 R334 Y335 P375 W406	Y282-T331 HydrophobicContact CE2-CG2 4.43Å; I285-T331 HydrophobicContact CG2-CG2 3.62Å; L289-T331 HydrophobicContact CD1-CG2 3.85Å; L289-T331 HydrophobicContact CD2-CG2 4.02Å; L289-T331 HydrophobicContact CG-CG2 4.44Å; R327-T331 WeakPolarHBondContact O-CB 3.4Å; R327-T331 PolarHBondContact O-N 2.75Å; R327-T331 PolarHBondContact O-OG1 2.76Å; A328-T331 PolarHBondContact O-N 3.06Å; T329-T331 PolarHBondContact O-N 2.69Å; T331-Q333 PolarHBondContact O-N 3.08Å; T331-R334 PolarHBondContact O-N 3.45Å; T331-Y335 HydrophobicContact CG2-CD2 4.07Å; T331-Y335 WeakPolarHBondContact O-CB 3.32Å; T331-Y335 PolarHBondContact O-N 3.39Å; T331-P375 HydrophobicContact CG2-CB 3.59Å; T331-P375 HydrophobicContact CG2-CG 3.94Å; T331-W406 WeakPolarHBondContact OG1-CZ3 3.49Å
332	R	94.7	Very high	93.3	Very high	112 Å²	112	34.8 Å²	34.8	42%	0.423	17%	0.17	S	C	.	.	H	α-helix	trans	-56.5	-37	177.8	-175.1	175.4	63.7	172.7	-1.9	113	L289 A328 T329 Y330	L289-R332 HydrophobicContact CD1-CB 4.27Å; A328-R332 WeakPolarHBondContact O-CB 3.46Å; A328-R332 PolarHBondContact O-N 2.87Å; T329-R332 PolarHBondContact O-N 3.43Å; Y330-R332 PolarHBondContact O-N 2.86Å
333	Q	92.8	Very high	93.5	Very high	80 Å²	80	29.7 Å²	29.7	37%	0.374	14%	0.143	S	C	.	.	H	α-helix	trans	-88.5	-28.5	-175.4	-66.4	-72.7	-5.8	0	0	113.7	Y305 T329 Y330 T331 N337	Y305-Q333 HydrophobicContact CD1-CG 4.29Å; Y305-Q333 HydrophobicContact CE1-CB 3.93Å; Y305-Q333 HydrophobicContact CE1-CG 3.84Å; Y305-Q333 HydrophobicContact CE2-CB 4.09Å; Y305-Q333 WeakPolarHBondContact OH-CB 3.42Å; T329-Q333 HydrophobicContact CG2-CG 4.34Å; T329-Q333 WeakPolarHBondContact O-CB 3.22Å; T329-Q333 WeakPolarHBondContact O-CG 3.33Å; T329-Q333 PolarHBondContact O-N 3.27Å; Y330-Q333 PolarHBondContact O-N 2.89Å; Y330-Q333 VanDerWaalsContact O-N 3.16Å; T331-Q333 PolarHBondContact O-N 3.08Å; Q333-N337 PolarHBondContact O-ND2 3.37Å
334	R	91.1	Very high	93.3	Very high	75 Å²	75	31.5 Å²	31.5	28%	0.283	15%	0.15	S	C	.	.	H	α-helix	trans	-110.9	-28.5	-168	-65.9	-67.9	-62.8	174.8	0	114.2	Y305 Y330 T331 I336 N337 S338	Y305-R334 HydrophobicContact CE2-CG 4.16Å; Y305-R334 WeakPolarHBondContact OH-CD 3.43Å; Y330-R334 HydrophobicContact CD1-CB 4.25Å; Y330-R334 HydrophobicContact CD1-CG 4.39Å; Y330-R334 HydrophobicContact CD2-CG 4.12Å; Y330-R334 HydrophobicContact CE1-CB 3.93Å; Y330-R334 HydrophobicContact CE1-CG 4.18Å; Y330-R334 HydrophobicContact CE2-CG 3.93Å; Y330-R334 HydrophobicContact CG-CG 4.34Å; Y330-R334 VanDerWaalsContact O-CB 3.24Å; Y330-R334 WeakPolarHBondContact O-CB 3.48Å; Y330-R334 WeakPolarHBondContact O-CG 3.5Å; Y330-R334 PolarHBondContact O-N 2.9Å; T331-R334 PolarHBondContact O-N 3.45Å; R334-I336 PolarHBondContact O-N 3.43Å; R334-N337 PolarHBondContact O-N 2.84Å; R334-S338 VanDerWaalsContact O-CB 3.22Å; R334-S338 WeakPolarHBondContact O-CB 3.33Å; R334-S338 PolarHBondContact O-N 2.84Å; R334-S338 PolarHBondContact O-OG 3.47Å
335	Y	93.1	Very high	93.1	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-54.6	-60.2	-168.4	-173.1	-78.5	0	0	0	112.1	I278 Y282 I285 T331 N337 S338 S339 P375 A380	I278-Y335 HydrophobicContact CG2-CE1 4.49Å; Y282-Y335 AromaticContact CD2-CD1 3.45Å; Y282-Y335 HydrophobicContact CD2-CD1 3.45Å; Y282-Y335 VanDerWaalsContact CD2-CD1 3.45Å; Y282-Y335 HydrophobicContact CD2-CD2 4.21Å; Y282-Y335 AromaticContact CD2-CE1 3.68Å; Y282-Y335 HydrophobicContact CD2-CE1 3.68Å; Y282-Y335 HydrophobicContact CD2-CE2 4.42Å; Y282-Y335 AromaticContact CD2-CG 3.71Å; Y282-Y335 HydrophobicContact CD2-CG 3.71Å; Y282-Y335 HydrophobicContact CE2-CD1 4.11Å; Y282-Y335 HydrophobicContact CE2-CD2 4.46Å; Y282-Y335 AromaticContact CE2-CG 3.95Å; Y282-Y335 HydrophobicContact CE2-CG 3.95Å; Y282-Y335 HydrophobicContact CG-CD1 4.18Å; Y282-Y335 HydrophobicContact CG-CE1 4.23Å; I285-Y335 HydrophobicContact CD1-CD2 4.18Å; I285-Y335 HydrophobicContact CD1-CE2 3.37Å; T331-Y335 HydrophobicContact CG2-CD2 4.07Å; T331-Y335 WeakPolarHBondContact O-CB 3.32Å; T331-Y335 PolarHBondContact O-N 3.39Å; Y335-N337 PolarHBondContact O-N 2.8Å; Y335-S338 PolarHBondContact O-N 2.77Å; Y335-S338 VanDerWaalsContact O-N 3.14Å; Y335-S339 PolarHBondContact O-N 3.2Å; Y335-S339 PolarHBondContact O-OG 2.8Å; Y335-P375 HydrophobicContact CD2-CB 3.94Å; Y335-P375 HydrophobicContact CD2-CG 3.86Å; Y335-P375 HydrophobicContact CE2-CB 4.36Å; Y335-P375 WeakPolarHBondContact CE2-O 3.01Å; Y335-A380 HydrophobicContact CE1-CB 4.09Å; Y335-A380 WeakPolarHBondContact OH-CB 3.47Å
336	I	91.6	Very high	93.1	Very high	40 Å²	40	26.5 Å²	26.5	21%	0.205	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-47.7	-176.9	-56	-55.2	0	0	0	111.1	I278 M279 Y282 R334 S338 S339 T340	I278-I336 HydrophobicContact CG2-CD1 4.18Å; M279-I336 HydrophobicContact CE-CD1 4.46Å; M279-I336 HydrophobicContact SD-CD1 3.43Å; M279-I336 WeakPolarHBondContact SD-CD1 3.48Å; M279-I336 HydrophobicContact SD-CG1 3.87Å; M279-I336 HydrophobicContact SD-CG2 3.99Å; Y282-I336 HydrophobicContact CD1-CD1 4.14Å; Y282-I336 HydrophobicContact CD2-CD1 4.34Å; Y282-I336 HydrophobicContact CG-CD1 3.91Å; R334-I336 PolarHBondContact O-N 3.43Å; I336-S338 VanDerWaalsContact C-N 3.28Å; I336-S338 PolarHBondContact O-N 2.84Å; I336-S339 PolarHBondContact O-N 3.47Å; I336-T340 HydrophobicContact CG2-CG2 4.26Å; I336-T340 VanDerWaalsContact O-CG2 3.31Å; I336-T340 WeakPolarHBondContact O-CG2 3.37Å; I336-T340 PolarHBondContact O-N 3.31Å; I336-T340 PolarHBondContact O-OG1 3.46Å
337	N	89.7	Confident	92.7	Very high	95 Å²	95	26.7 Å²	26.7	51%	0.508	12%	0.124	S	C	.	.	H	α-helix	trans	-62.3	-35.2	-179.8	-69.3	-30.9	0	0	0	112.9	Q333 R334 Y335 T340 S341	Q333-N337 PolarHBondContact O-ND2 3.37Å; R334-N337 PolarHBondContact O-N 2.84Å; Y335-N337 PolarHBondContact O-N 2.8Å; N337-T340 WeakPolarHBondContact CA-OG1 3.33Å; N337-T340 PolarHBondContact O-OG1 3.39Å; N337-T340 VanDerWaalsContact O-OG1 3.08Å; N337-S341 WeakPolarHBondContact O-CB 3.25Å; N337-S341 PolarHBondContact O-N 2.89Å; N337-S341 VanDerWaalsContact O-N 3.07Å; N337-S341 PolarHBondContact O-OG 2.99Å
338	S	91.2	Very high	92.2	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-74.8	-42.4	179.6	-56.1	0	0	0	0	110.4	R334 Y335 I336 S341 F342 F451	R334-S338 VanDerWaalsContact O-CB 3.22Å; R334-S338 WeakPolarHBondContact O-CB 3.33Å; R334-S338 PolarHBondContact O-N 2.84Å; R334-S338 PolarHBondContact O-OG 3.47Å; Y335-S338 PolarHBondContact O-N 2.77Å; Y335-S338 VanDerWaalsContact O-N 3.14Å; I336-S338 VanDerWaalsContact C-N 3.28Å; I336-S338 PolarHBondContact O-N 2.84Å; S338-S341 PolarHBondContact O-N 2.85Å; S338-F342 PolarHBondContact O-N 2.83Å; S338-F451 VanDerWaalsContact CB-CE2 3.42Å
339	S	93.2	Very high	91.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-46.5	174.1	-63.5	0	0	0	0	111.9	Y335 I336 S341 F342 L343 P377 A381	Y335-S339 PolarHBondContact O-N 3.2Å; Y335-S339 PolarHBondContact O-OG 2.8Å; I336-S339 PolarHBondContact O-N 3.47Å; S339-S341 VanDerWaalsContact C-N 3.32Å; S339-S341 PolarHBondContact O-N 2.8Å; S339-F342 PolarHBondContact O-N 3.48Å; S339-L343 WeakPolarHBondContact O-CB 3.42Å; S339-L343 PolarHBondContact O-N 2.81Å; S339-P377 WeakPolarHBondContact CA-O 3.24Å; S339-P377 WeakPolarHBondContact CB-O 3.42Å; S339-P377 WeakPolarHBondContact OG-CA 3.16Å; S339-P377 WeakPolarHBondContact OG-CB 3.44Å; S339-P377 PolarHBondContact OG-O 3.47Å; S339-A381 VanDerWaalsContact O-CB 3.22Å; S339-A381 WeakPolarHBondContact O-CB 3.47Å
340	T	90.7	Very high	91.6	Very high	24 Å²	24	34.4 Å²	34.4	15%	0.147	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-36	178.6	55.2	0	0	0	0	111.7	V275 I336 N337 L343 Q344	V275-T340 HydrophobicContact CG1-CG2 4.38Å; V275-T340 HydrophobicContact CG2-CG2 4.12Å; I336-T340 HydrophobicContact CG2-CG2 4.26Å; I336-T340 VanDerWaalsContact O-CG2 3.31Å; I336-T340 WeakPolarHBondContact O-CG2 3.37Å; I336-T340 PolarHBondContact O-N 3.31Å; I336-T340 PolarHBondContact O-OG1 3.46Å; N337-T340 WeakPolarHBondContact CA-OG1 3.33Å; N337-T340 PolarHBondContact O-OG1 3.39Å; N337-T340 VanDerWaalsContact O-OG1 3.08Å; T340-L343 PolarHBondContact O-N 2.89Å; T340-Q344 WeakPolarHBondContact O-CB 3.28Å; T340-Q344 WeakPolarHBondContact O-CG 3.31Å; T340-Q344 PolarHBondContact O-N 3.44Å
341	S	89.8	Confident	91.5	Very high	21 Å²	21	33.9 Å²	33.9	15%	0.147	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-45	175.4	-63.1	0	0	0	0	112.1	N337 S338 S339 Q344 A345 L496	N337-S341 WeakPolarHBondContact O-CB 3.25Å; N337-S341 PolarHBondContact O-N 2.89Å; N337-S341 VanDerWaalsContact O-N 3.07Å; N337-S341 PolarHBondContact O-OG 2.99Å; S338-S341 PolarHBondContact O-N 2.85Å; S339-S341 VanDerWaalsContact C-N 3.32Å; S339-S341 PolarHBondContact O-N 2.8Å; S341-Q344 PolarHBondContact O-N 3.43Å; S341-A345 WeakPolarHBondContact O-CB 3.17Å; S341-A345 PolarHBondContact O-N 2.91Å; S341-L496 WeakPolarHBondContact O-CD2 3.22Å
342	F	92.8	Very high	91	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-50	173.4	178.6	-87.4	0	0	0	111	S338 S339 Q344 A345 L346 D378 A381 M446 V448 I473 L475	S338-F342 PolarHBondContact O-N 2.83Å; S339-F342 PolarHBondContact O-N 3.48Å; F342-Q344 VanDerWaalsContact C-N 3.33Å; F342-Q344 PolarHBondContact O-N 3.49Å; F342-A345 WeakPolarHBondContact O-CB 3.11Å; F342-A345 PolarHBondContact O-N 2.98Å; F342-L346 HydrophobicContact CE1-CD2 4.2Å; F342-L346 PolarHBondContact O-N 3.25Å; F342-D378 HydrophobicContact CD2-CB 3.97Å; F342-D378 HydrophobicContact CE2-CB 4.18Å; F342-D378 HydrophobicContact CG-CB 4.3Å; F342-A381 HydrophobicContact CB-CB 4.03Å; F342-A381 HydrophobicContact CD1-CB 3.46Å; F342-A381 VanDerWaalsContact CD1-CB 3.46Å; F342-A381 HydrophobicContact CE1-CB 4.29Å; F342-A381 HydrophobicContact CG-CB 4.09Å; F342-M446 HydrophobicContact CE2-CE 4.44Å; F342-M446 HydrophobicContact CZ-CE 3.92Å; F342-V448 HydrophobicContact CD2-CG1 4.3Å; F342-V448 HydrophobicContact CE2-CG1 3.78Å; F342-V448 HydrophobicContact CE2-CG2 4.11Å; F342-V448 HydrophobicContact CZ-CG2 4.45Å; F342-I473 HydrophobicContact CE2-CD1 3.97Å; F342-I473 HydrophobicContact CE2-CG2 4.44Å; F342-I473 HydrophobicContact CZ-CD1 4.09Å; F342-L475 HydrophobicContact CB-CD1 4.03Å; F342-L475 HydrophobicContact CD2-CD1 3.59Å; F342-L475 HydrophobicContact CD2-CG 4.29Å; F342-L475 HydrophobicContact CG-CD1 4.29Å
343	L	92.8	Very high	90.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-42.2	-178.5	-174.4	66.2	0	0	0	111.9	F271 E274 V275 I278 S339 T340 L346 V347 A381 Y385	F271-L343 HydrophobicContact CD2-CD2 3.7Å; F271-L343 HydrophobicContact CD2-CG 3.89Å; F271-L343 HydrophobicContact CE2-CB 4.11Å; F271-L343 HydrophobicContact CE2-CD2 3.51Å; F271-L343 HydrophobicContact CE2-CG 3.65Å; F271-L343 HydrophobicContact CZ-CD2 4.31Å; E274-L343 HydrophobicContact CB-CD1 4.33Å; E274-L343 HydrophobicContact CB-CD2 3.52Å; E274-L343 WeakPolarHBondContact OE2-CD1 3.11Å; V275-L343 HydrophobicContact CG2-CD2 4.22Å; I278-L343 HydrophobicContact CD1-CD2 3.89Å; S339-L343 WeakPolarHBondContact O-CB 3.42Å; S339-L343 PolarHBondContact O-N 2.81Å; T340-L343 PolarHBondContact O-N 2.89Å; L343-L346 PolarHBondContact O-N 3.32Å; L343-V347 HydrophobicContact CD1-CG2 3.89Å; L343-V347 HydrophobicContact CG-CG2 4.3Å; L343-V347 WeakPolarHBondContact O-CB 3.21Å; L343-V347 WeakPolarHBondContact O-CG2 3.34Å; L343-V347 PolarHBondContact O-N 3.27Å; L343-A381 HydrophobicContact CB-CB 4.33Å; L343-Y385 HydrophobicContact CD1-CD2 4.29Å; L343-Y385 HydrophobicContact CD1-CG 4.44Å
344	Q	90.3	Very high	90.5	Very high	66 Å²	66	33.4 Å²	33.4	31%	0.308	16%	0.16	S	C	.	.	H	α-helix	trans	-63.9	-43	176.9	-75.9	176	-18.2	0	0	112	F271 T340 S341 F342 L346 Y348 L496	F271-Q344 HydrophobicContact CE1-CG 4.48Å; F271-Q344 HydrophobicContact CE2-CB 4.45Å; F271-Q344 HydrophobicContact CE2-CG 3.53Å; F271-Q344 HydrophobicContact CZ-CG 3.42Å; F271-Q344 VanDerWaalsContact CZ-CG 3.42Å; T340-Q344 WeakPolarHBondContact O-CB 3.28Å; T340-Q344 WeakPolarHBondContact O-CG 3.31Å; T340-Q344 PolarHBondContact O-N 3.44Å; S341-Q344 PolarHBondContact O-N 3.43Å; F342-Q344 VanDerWaalsContact C-N 3.33Å; F342-Q344 PolarHBondContact O-N 3.49Å; Q344-L346 VanDerWaalsContact C-N 3.3Å; Q344-L346 PolarHBondContact O-N 2.95Å; Q344-Y348 HydrophobicContact CB-CD2 4.19Å; Q344-Y348 HydrophobicContact CG-CD2 4.09Å; Q344-Y348 HydrophobicContact CG-CE2 4.29Å; Q344-Y348 WeakPolarHBondContact O-CB 3.25Å; Q344-Y348 PolarHBondContact O-N 2.84Å; Q344-L496 HydrophobicContact CB-CD1 3.91Å
345	A	91.6	Very high	90.4	Very high	2 Å²	2	34 Å²	34	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-44.6	176.4	0	0	0	0	0	110.8	S341 F342 R349 I350 L496 V502	S341-A345 WeakPolarHBondContact O-CB 3.17Å; S341-A345 PolarHBondContact O-N 2.91Å; F342-A345 WeakPolarHBondContact O-CB 3.11Å; F342-A345 PolarHBondContact O-N 2.98Å; A345-R349 WeakPolarHBondContact O-CB 3.2Å; A345-R349 PolarHBondContact O-N 3.03Å; A345-I350 WeakPolarHBondContact O-CG1 3.26Å; A345-I350 PolarHBondContact O-N 3.42Å; A345-L496 HydrophobicContact CB-CD1 3.99Å; A345-V502 HydrophobicContact CB-CB 4.35Å; A345-V502 HydrophobicContact CB-CG1 4.17Å; A345-V502 HydrophobicContact CB-CG2 3.85Å
346	L	93.8	Very high	90.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.195	C	C	.	.	I	π-helix	trans	-65.6	-54.1	179	-178	59.9	0	0	0	112.4	F342 L343 Q344 I351 V357 L361 Y382 Y385	F342-L346 HydrophobicContact CE1-CD2 4.2Å; F342-L346 PolarHBondContact O-N 3.25Å; L343-L346 PolarHBondContact O-N 3.32Å; Q344-L346 VanDerWaalsContact C-N 3.3Å; Q344-L346 PolarHBondContact O-N 2.95Å; L346-I351 HydrophobicContact CD1-CD1 3.95Å; L346-I351 HydrophobicContact CD1-CG1 4.04Å; L346-I351 HydrophobicContact CG-CD1 3.91Å; L346-I351 HydrophobicContact CG-CG1 4.47Å; L346-I351 WeakPolarHBondContact O-CB 3.5Å; L346-I351 WeakPolarHBondContact O-CG1 3.3Å; L346-I351 PolarHBondContact O-N 3.24Å; L346-V357 HydrophobicContact CD1-CG1 4.39Å; L346-L361 HydrophobicContact CD1-CD1 3.76Å; L346-L361 HydrophobicContact CD2-CD1 4.12Å; L346-L361 HydrophobicContact CG-CD1 4.44Å; L346-Y382 HydrophobicContact CD2-CD2 4.32Å; L346-Y385 HydrophobicContact CD2-CD1 4Å; L346-Y385 HydrophobicContact CD2-CD2 4.22Å; L346-Y385 HydrophobicContact CD2-CE1 4.2Å; L346-Y385 HydrophobicContact CD2-CE2 4.37Å; L346-Y385 HydrophobicContact CD2-CG 4.03Å
347	V	89.6	Confident	90.6	Very high	3 Å²	3	36 Å²	36	2%	0.018	19%	0.185	C	C	.	.	I	π-helix	trans	-80.2	-36.7	-168.7	174.6	0	0	0	0	113.4	L343 P352 Y385	L343-V347 HydrophobicContact CD1-CG2 3.89Å; L343-V347 HydrophobicContact CG-CG2 4.3Å; L343-V347 WeakPolarHBondContact O-CB 3.21Å; L343-V347 WeakPolarHBondContact O-CG2 3.34Å; L343-V347 PolarHBondContact O-N 3.27Å; V347-P352 VanDerWaalsContact O-CD 3.28Å; V347-P352 WeakPolarHBondContact O-CD 3.37Å; V347-P352 WeakPolarHBondContact O-CG 3.34Å; V347-Y385 HydrophobicContact CG2-CD2 3.73Å; V347-Y385 HydrophobicContact CG2-CE2 3.92Å
348	Y	84.8	Confident	90.8	Very high	63 Å²	63	34 Å²	34	25%	0.247	17%	0.173	C	C	.	.	I	π-helix	trans	-102.1	-5.7	-173.3	-66.4	-63.1	0	0	0	114.5	R267 F271 Q344	R267-Y348 HydrophobicContact CB-CE1 4.38Å; F271-Y348 HydrophobicContact CB-CE2 4.29Å; F271-Y348 WeakPolarHBondContact CB-OH 3.44Å; F271-Y348 HydrophobicContact CD1-CE2 4.14Å; F271-Y348 HydrophobicContact CD2-CD2 4.4Å; F271-Y348 AromaticContact CD2-CE2 3.54Å; F271-Y348 HydrophobicContact CD2-CE2 3.54Å; F271-Y348 HydrophobicContact CE1-CE2 4.4Å; F271-Y348 HydrophobicContact CE2-CD2 4.48Å; F271-Y348 AromaticContact CE2-CE2 3.83Å; F271-Y348 HydrophobicContact CE2-CE2 3.83Å; F271-Y348 AromaticContact CG-CE2 3.71Å; F271-Y348 HydrophobicContact CG-CE2 3.71Å; F271-Y348 AromaticContact CG-CZ 3.89Å; F271-Y348 WeakPolarHBondContact CG-OH 3.36Å; F271-Y348 HydrophobicContact CZ-CE2 4.27Å; Q344-Y348 HydrophobicContact CB-CD2 4.19Å; Q344-Y348 HydrophobicContact CG-CD2 4.09Å; Q344-Y348 HydrophobicContact CG-CE2 4.29Å; Q344-Y348 WeakPolarHBondContact O-CB 3.25Å; Q344-Y348 PolarHBondContact O-N 2.84Å
349	R	87.8	Confident	90.9	Very high	109 Å²	109	36.8 Å²	36.8	41%	0.411	19%	0.187	S	C	.	.	I	π-helix	trans	-133.1	-66	-176.8	-58.4	-73.6	-167.3	-107.1	4.5	112	A345 I351 P352 E353 I494	A345-R349 WeakPolarHBondContact O-CB 3.2Å; A345-R349 PolarHBondContact O-N 3.03Å; R349-I351 PolarHBondContact O-N 3.02Å; R349-P352 WeakPolarHBondContact O-CD 2.9Å; R349-E353 WeakPolarHBondContact O-CB 3.41Å; R349-E353 VanDerWaalsContact O-CG 3.31Å; R349-E353 WeakPolarHBondContact O-CG 3.43Å; R349-E353 PolarHBondContact O-N 3.27Å; R349-I494 HydrophobicContact CB-CD1 3.66Å; R349-I494 HydrophobicContact CB-CG1 4.21Å; R349-I494 HydrophobicContact CB-CG2 3.61Å; R349-I494 HydrophobicContact CG-CG2 3.51Å
350	I	92.3	Very high	91.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.188	C	C	.	.	I	π-helix	trans	-61.7	-52.1	-173.1	-62.8	171.6	0	0	0	112.3	A345 E353 N354 V357 F471 I473 I494 Y504	A345-I350 WeakPolarHBondContact O-CG1 3.26Å; A345-I350 PolarHBondContact O-N 3.42Å; I350-E353 PolarHBondContact O-N 3.47Å; I350-N354 PolarHBondContact O-N 3.36Å; I350-N354 PolarHBondContact O-ND2 3.1Å; I350-V357 HydrophobicContact CG2-CG1 4.12Å; I350-V357 HydrophobicContact CG2-CG2 4.16Å; I350-F471 HydrophobicContact CG2-CE2 4.19Å; I350-F471 HydrophobicContact CG2-CZ 4.01Å; I350-I473 HydrophobicContact CD1-CD1 4.14Å; I350-I473 HydrophobicContact CD1-CG1 4.43Å; I350-I494 HydrophobicContact CG1-CD1 3.53Å; I350-Y504 HydrophobicContact CD1-CD1 4.39Å; I350-Y504 HydrophobicContact CD1-CG 4.22Å; I350-Y504 HydrophobicContact CG1-CD1 3.97Å; I350-Y504 HydrophobicContact CG1-CD2 4.48Å; I350-Y504 HydrophobicContact CG1-CE1 4.2Å; I350-Y504 HydrophobicContact CG1-CG 4.11Å; I350-Y504 HydrophobicContact CG2-CD2 4.04Å; I350-Y504 HydrophobicContact CG2-CE2 4.05Å; I350-Y504 HydrophobicContact CG2-CG 4.47Å
351	I	91.4	Very high	91.4	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-46.9	-179.3	-69.4	165.7	0	0	0	111.6	L346 R349 E353 N354 P355 V357 E358 Y385	L346-I351 HydrophobicContact CD1-CD1 3.95Å; L346-I351 HydrophobicContact CD1-CG1 4.04Å; L346-I351 HydrophobicContact CG-CD1 3.91Å; L346-I351 HydrophobicContact CG-CG1 4.47Å; L346-I351 WeakPolarHBondContact O-CB 3.5Å; L346-I351 WeakPolarHBondContact O-CG1 3.3Å; L346-I351 PolarHBondContact O-N 3.24Å; R349-I351 PolarHBondContact O-N 3.02Å; I351-E353 VanDerWaalsContact C-N 3.26Å; I351-E353 PolarHBondContact O-N 3.11Å; I351-N354 CarbonylContact O-C 3.57Å; I351-N354 PolarHBondContact O-N 2.89Å; I351-P355 VanDerWaalsContact O-CA 3.28Å; I351-P355 WeakPolarHBondContact O-CA 3.36Å; I351-V357 HydrophobicContact CG1-CB 4.37Å; I351-V357 HydrophobicContact CG1-CG1 4.11Å; I351-E358 HydrophobicContact CD1-CB 4.31Å; I351-E358 HydrophobicContact CG1-CB 4.35Å; I351-E358 HydrophobicContact CG2-CB 3.97Å; I351-Y385 HydrophobicContact CD1-CE2 3.82Å; I351-Y385 WeakPolarHBondContact CD1-OH 3.48Å
352	P	85.1	Confident	91.6	Very high	54 Å²	54	40 Å²	40	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-57.3	-35.6	174	-29.8	37	0	0	0	114.5	V347 R349	V347-P352 VanDerWaalsContact O-CD 3.28Å; V347-P352 WeakPolarHBondContact O-CD 3.37Å; V347-P352 WeakPolarHBondContact O-CG 3.34Å; R349-P352 WeakPolarHBondContact O-CD 2.9Å
353	E	87	Confident	91.6	Very high	98 Å²	98	44 Å²	44	46%	0.458	22%	0.215	S	C	.	.	H	α-helix	trans	-76.1	-29	176.8	-74.5	173.1	-158.4	0	0	113.2	R349 I350 I351 Y504	R349-E353 WeakPolarHBondContact O-CB 3.41Å; R349-E353 VanDerWaalsContact O-CG 3.31Å; R349-E353 WeakPolarHBondContact O-CG 3.43Å; R349-E353 PolarHBondContact O-N 3.27Å; I350-E353 PolarHBondContact O-N 3.47Å; I351-E353 VanDerWaalsContact C-N 3.26Å; I351-E353 PolarHBondContact O-N 3.11Å; E353-Y504 PolarHBondContact OE2-OH 2.68Å
354	N	90.5	Very high	91.7	Very high	29 Å²	29	47.7 Å²	47.7	16%	0.155	23%	0.232	C	C	.	.			trans	-141.7	85.9	178.3	-42.5	-99.1	0	0	0	109	I350 I351 D356 V357 K492 Y504 F506	I350-N354 PolarHBondContact O-N 3.36Å; I350-N354 PolarHBondContact O-ND2 3.1Å; I351-N354 CarbonylContact O-C 3.57Å; I351-N354 PolarHBondContact O-N 2.89Å; N354-D356 PolarHBondContact O-N 2.91Å; N354-D356 VanDerWaalsContact O-N 3.08Å; N354-V357 HydrophobicContact CB-CG2 3.86Å; N354-V357 VanDerWaalsContact O-CB 3.3Å; N354-V357 WeakPolarHBondContact O-CB 3.39Å; N354-V357 WeakPolarHBondContact O-CG2 3.22Å; N354-V357 PolarHBondContact O-N 3.47Å; N354-K492 PolarHBondContact OD1-NZ 2.86Å; N354-Y504 VanDerWaalsContact ND2-CE2 3.32Å; N354-Y504 WeakPolarHBondContact ND2-CE2 3.3Å; N354-Y504 PolarHBondContact ND2-OH 3.4Å; N354-F506 HydrophobicContact CB-CD1 4.45Å
355	P	90	Very high	91.9	Very high	88 Å²	88	44.6 Å²	44.6	57%	0.571	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.6	-176.2	-29.3	36.9	0	0	0	113.9	I351 V357 E358	I351-P355 VanDerWaalsContact O-CA 3.28Å; I351-P355 WeakPolarHBondContact O-CA 3.36Å; P355-V357 PolarHBondContact O-N 3.2Å; P355-V357 VanDerWaalsContact O-N 3.15Å; P355-E358 PolarHBondContact O-N 2.93Å
356	D	93.8	Very high	92.2	Very high	83 Å²	83	46.7 Å²	46.7	44%	0.444	23%	0.232	S	C	.	.	H	α-helix	trans	-56.7	-25.2	174.4	-73.9	-8.9	0	0	0	114	N354 E358 I359 Y360 F506 I509	N354-D356 PolarHBondContact O-N 2.91Å; N354-D356 VanDerWaalsContact O-N 3.08Å; D356-E358 VanDerWaalsContact C-N 3.27Å; D356-E358 PolarHBondContact O-N 3.13Å; D356-I359 PolarHBondContact O-N 2.84Å; D356-Y360 WeakPolarHBondContact O-CB 3.39Å; D356-Y360 PolarHBondContact O-N 3.42Å; D356-F506 HydrophobicContact CB-CE1 3.9Å; D356-F506 HydrophobicContact CB-CZ 4.4Å; D356-I509 HydrophobicContact CB-CD1 3.6Å; D356-I509 HydrophobicContact CB-CG1 3.99Å
357	V	95.4	Very high	92.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-39.1	175.1	171.3	0	0	0	0	110.6	L346 I350 I351 N354 P355 I359 Y360 L361 F471 F506	L346-V357 HydrophobicContact CD1-CG1 4.39Å; I350-V357 HydrophobicContact CG2-CG1 4.12Å; I350-V357 HydrophobicContact CG2-CG2 4.16Å; I351-V357 HydrophobicContact CG1-CB 4.37Å; I351-V357 HydrophobicContact CG1-CG1 4.11Å; N354-V357 HydrophobicContact CB-CG2 3.86Å; N354-V357 VanDerWaalsContact O-CB 3.3Å; N354-V357 WeakPolarHBondContact O-CB 3.39Å; N354-V357 WeakPolarHBondContact O-CG2 3.22Å; N354-V357 PolarHBondContact O-N 3.47Å; P355-V357 PolarHBondContact O-N 3.2Å; P355-V357 VanDerWaalsContact O-N 3.15Å; V357-I359 VanDerWaalsContact C-N 3.34Å; V357-I359 PolarHBondContact O-N 3.04Å; V357-Y360 PolarHBondContact O-N 3.22Å; V357-L361 HydrophobicContact CG1-CD1 3.78Å; V357-L361 HydrophobicContact CG1-CG 4.07Å; V357-L361 WeakPolarHBondContact O-CB 3.11Å; V357-L361 WeakPolarHBondContact O-CG 3.34Å; V357-L361 PolarHBondContact O-N 3.4Å; V357-F471 HydrophobicContact CG1-CE1 3.94Å; V357-F471 HydrophobicContact CG1-CE2 4.5Å; V357-F471 HydrophobicContact CG1-CZ 3.86Å; V357-F506 HydrophobicContact CG2-CB 4.26Å; V357-F506 HydrophobicContact CG2-CD1 3.51Å; V357-F506 HydrophobicContact CG2-CD2 4.08Å; V357-F506 HydrophobicContact CG2-CE1 3.76Å; V357-F506 HydrophobicContact CG2-CE2 4.32Å; V357-F506 HydrophobicContact CG2-CG 3.68Å; V357-F506 HydrophobicContact CG2-CZ 4.16Å
358	E	93.7	Very high	92.8	Very high	53 Å²	53	52.3 Å²	52.3	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-39.5	179.1	176.3	160.1	-172.2	0	0	111.8	I351 P355 D356 R362 Y385 R389	I351-E358 HydrophobicContact CD1-CB 4.31Å; I351-E358 HydrophobicContact CG1-CB 4.35Å; I351-E358 HydrophobicContact CG2-CB 3.97Å; P355-E358 PolarHBondContact O-N 2.93Å; D356-E358 VanDerWaalsContact C-N 3.27Å; D356-E358 PolarHBondContact O-N 3.13Å; E358-R362 WeakPolarHBondContact O-CB 3.29Å; E358-R362 PolarHBondContact O-N 2.92Å; E358-R362 VanDerWaalsContact O-N 3.07Å; E358-Y385 WeakPolarHBondContact CG-OH 3.4Å; E358-R389 IonicContact OE1-CZ 2.83Å; E358-R389 IonicContact OE1-NH1 3.14Å; E358-R389 PolarHBondContact OE1-NH1 3.41Å; E358-R389 IonicContact OE2-NH1 3.88Å; E358-R389 PolarHBondContact OE2-NH1 2.81Å
359	I	93	Very high	93.4	Very high	61 Å²	61	49.3 Å²	49.3	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-46.5	174.1	-60.9	171.4	0	0	0	109.6	D356 V357 L361 R362 D363 I509	D356-I359 PolarHBondContact O-N 2.84Å; V357-I359 VanDerWaalsContact C-N 3.34Å; V357-I359 PolarHBondContact O-N 3.04Å; I359-L361 PolarHBondContact O-N 2.78Å; I359-R362 PolarHBondContact O-N 3.28Å; I359-D363 WeakPolarHBondContact CG2-OD2 3.42Å; I359-D363 WeakPolarHBondContact O-CB 3.37Å; I359-D363 PolarHBondContact O-N 2.78Å; I359-I509 HydrophobicContact CB-CD1 3.97Å; I359-I509 HydrophobicContact CD1-CD1 4.34Å; I359-I509 HydrophobicContact CG2-CD1 3.91Å
360	Y	96.4	Very high	93.9	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-47.8	178	-176.4	-106.7	0	0	0	112.8	D356 V357 R362 H364 V365 D445 R470 F471 F506	D356-Y360 WeakPolarHBondContact O-CB 3.39Å; D356-Y360 PolarHBondContact O-N 3.42Å; V357-Y360 PolarHBondContact O-N 3.22Å; Y360-R362 VanDerWaalsContact C-N 3.3Å; Y360-R362 PolarHBondContact O-N 2.91Å; Y360-H364 HydrophobicContact CD2-CB 3.68Å; Y360-H364 AromaticContact CD2-CD2 3.94Å; Y360-H364 AromaticContact CD2-CG 3.96Å; Y360-H364 HydrophobicContact CE2-CB 3.63Å; Y360-H364 HydrophobicContact CG-CB 4.44Å; Y360-H364 WeakPolarHBondContact O-CA 3.46Å; Y360-H364 WeakPolarHBondContact O-CB 3.34Å; Y360-H364 PolarHBondContact O-N 3.1Å; Y360-V365 HydrophobicContact CD1-CG2 3.67Å; Y360-V365 HydrophobicContact CE1-CG2 3.43Å; Y360-V365 VanDerWaalsContact CE1-CG2 3.43Å; Y360-V365 PolarHBondContact O-N 3.13Å; Y360-V365 VanDerWaalsContact O-N 3.17Å; Y360-D445 WeakPolarHBondContact CE1-O 3.41Å; Y360-D445 PolarHBondContact OH-O 2.88Å; Y360-R470 HydrophobicContact CE2-CB 4.48Å; Y360-F471 HydrophobicContact CD1-CB 4.29Å; Y360-F471 HydrophobicContact CE1-CB 3.81Å; Y360-F506 AromaticContact CD1-CE2 3.78Å; Y360-F506 HydrophobicContact CD1-CE2 3.78Å; Y360-F506 HydrophobicContact CD2-CE2 4.24Å; Y360-F506 HydrophobicContact CE1-CE2 4.41Å; Y360-F506 AromaticContact CG-CE2 3.68Å; Y360-F506 HydrophobicContact CG-CE2 3.68Å; Y360-F506 HydrophobicContact CG-CZ 4.15Å
361	L	96.6	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-38.3	178.6	-68.7	173.8	0	0	0	112	L346 V357 I359 V365 Y382 Y385 F391 Q393 M446 F471	L346-L361 HydrophobicContact CD1-CD1 3.76Å; L346-L361 HydrophobicContact CD2-CD1 4.12Å; L346-L361 HydrophobicContact CG-CD1 4.44Å; V357-L361 HydrophobicContact CG1-CD1 3.78Å; V357-L361 HydrophobicContact CG1-CG 4.07Å; V357-L361 WeakPolarHBondContact O-CB 3.11Å; V357-L361 WeakPolarHBondContact O-CG 3.34Å; V357-L361 PolarHBondContact O-N 3.4Å; I359-L361 PolarHBondContact O-N 2.78Å; L361-V365 HydrophobicContact CD2-CB 4.39Å; L361-V365 HydrophobicContact CD2-CG2 3.82Å; L361-Y382 HydrophobicContact CB-CE2 4.25Å; L361-Y382 HydrophobicContact CD1-CE2 4.17Å; L361-Y382 HydrophobicContact CD2-CE2 3.63Å; L361-Y382 HydrophobicContact CG-CE2 4.21Å; L361-Y382 PolarHBondContact O-OH 3.42Å; L361-Y385 HydrophobicContact CB-CE1 4.47Å; L361-Y385 HydrophobicContact CD1-CE1 3.92Å; L361-F391 HydrophobicContact CB-CE2 3.89Å; L361-F391 HydrophobicContact CB-CZ 4.42Å; L361-Q393 PolarHBondContact O-NE2 2.88Å; L361-M446 HydrophobicContact CD2-SD 3.81Å; L361-F471 HydrophobicContact CD2-CD1 3.97Å; L361-F471 HydrophobicContact CD2-CE1 3.88Å
362	R	94.6	Very high	94.1	Very high	107 Å²	107	44.7 Å²	44.7	40%	0.404	23%	0.23	S	C	.	.	H	α-helix	trans	-72.1	-49.1	179.7	-172.5	-177.3	64	-145.2	-9.3	112.3	E358 I359 Y360 F391 Q393	E358-R362 WeakPolarHBondContact O-CB 3.29Å; E358-R362 PolarHBondContact O-N 2.92Å; E358-R362 VanDerWaalsContact O-N 3.07Å; I359-R362 PolarHBondContact O-N 3.28Å; Y360-R362 VanDerWaalsContact C-N 3.3Å; Y360-R362 PolarHBondContact O-N 2.91Å; R362-F391 HydrophobicContact CB-CD1 4.04Å; R362-F391 HydrophobicContact CB-CD2 4.46Å; R362-F391 HydrophobicContact CB-CE1 3.57Å; R362-F391 HydrophobicContact CB-CE2 4.03Å; R362-F391 HydrophobicContact CB-CG 4.49Å; R362-F391 HydrophobicContact CB-CZ 3.57Å; R362-F391 HydrophobicContact CG-CD1 3.67Å; R362-F391 HydrophobicContact CG-CE1 3.59Å; R362-F391 HydrophobicContact CG-CG 4.28Å; R362-F391 HydrophobicContact CG-CZ 4.13Å; R362-Q393 VanDerWaalsContact O-CD 3.3Å; R362-Q393 PolarHBondContact O-NE2 3.16Å; R362-Q393 PolarHBondContact O-OE1 2.65Å
363	D	93.6	Very high	94.5	Very high	88 Å²	88	42.2 Å²	42.2	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-99.9	-18.9	-162.5	-60.3	-22.1	0	0	0	112.8	I359	I359-D363 WeakPolarHBondContact CG2-OD2 3.42Å; I359-D363 WeakPolarHBondContact O-CB 3.37Å; I359-D363 PolarHBondContact O-N 2.78Å
364	H	94	Very high	94.8	Very high	78 Å²	78	37.9 Å²	37.9	36%	0.361	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-34.4	-172.7	-60.5	-79.7	0	0	0	114.3	Y360 S366	Y360-H364 HydrophobicContact CD2-CB 3.68Å; Y360-H364 AromaticContact CD2-CD2 3.94Å; Y360-H364 AromaticContact CD2-CG 3.96Å; Y360-H364 HydrophobicContact CE2-CB 3.63Å; Y360-H364 HydrophobicContact CG-CB 4.44Å; Y360-H364 WeakPolarHBondContact O-CA 3.46Å; Y360-H364 WeakPolarHBondContact O-CB 3.34Å; Y360-H364 PolarHBondContact O-N 3.1Å; H364-S366 PolarHBondContact O-N 3.32Å
365	V	95.9	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.			trans	-76.1	110.9	-174.3	177.4	0	0	0	0	112.1	Y360 L361 I368 Y382 Q393 D445 M446	Y360-V365 HydrophobicContact CD1-CG2 3.67Å; Y360-V365 HydrophobicContact CE1-CG2 3.43Å; Y360-V365 VanDerWaalsContact CE1-CG2 3.43Å; Y360-V365 PolarHBondContact O-N 3.13Å; Y360-V365 VanDerWaalsContact O-N 3.17Å; L361-V365 HydrophobicContact CD2-CB 4.39Å; L361-V365 HydrophobicContact CD2-CG2 3.82Å; V365-I368 HydrophobicContact CG1-CD1 3.74Å; V365-I368 HydrophobicContact CG1-CG1 3.66Å; V365-Y382 HydrophobicContact CG1-CE1 4.31Å; V365-Q393 WeakPolarHBondContact O-CG 3.42Å; V365-Q393 PolarHBondContact O-NE2 3.16Å; V365-D445 HydrophobicContact CB-CB 4.29Å; V365-D445 HydrophobicContact CG1-CB 4.39Å; V365-D445 HydrophobicContact CG2-CB 4Å; V365-M446 HydrophobicContact CG1-CB 4.24Å; V365-M446 HydrophobicContact CG2-CB 4.4Å
366	S	96.1	Very high	95.2	Very high	46 Å²	46	32.5 Å²	32.5	32%	0.322	16%	0.162	S	C	.	.			trans	-126.3	-22.8	174	-58.6	0	0	0	0	113	H364 I395 V396 D445	H364-S366 PolarHBondContact O-N 3.32Å; S366-I395 CarbonylContact O-C 3.54Å; S366-I395 WeakPolarHBondContact O-CA 3.5Å; S366-V396 PolarHBondContact O-N 3.48Å; S366-D445 PolarHBondContact N-OD2 3.42Å
367	R	97.9	Very high	95.3	Very high	123 Å²	123	28.8 Å²	28.8	46%	0.464	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.6	-179.8	-61.8	179.6	-146.7	151.7	7.4	110.1	V396 F398 A444 D445 M446	R367-V396 CarbonylContact C-O 3.56Å; R367-V396 WeakPolarHBondContact CA-O 3.38Å; R367-F398 HydrophobicContact CB-CE2 4.23Å; R367-F398 HydrophobicContact CG-CE2 4.48Å; R367-A444 HydrophobicContact CB-CB 4.25Å; R367-D445 PolarHBondContact N-OD2 2.77Å; R367-D445 PolarHBondContact O-N 2.77Å; R367-M446 PolarHBondContact O-N 3.37Å
368	I	98.3	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.8	-175	-52.8	176.3	0	0	0	109.1	V365 Y382 I395 V396 Y397 F398 M446 V448	V365-I368 HydrophobicContact CG1-CD1 3.74Å; V365-I368 HydrophobicContact CG1-CG1 3.66Å; I368-Y382 HydrophobicContact CD1-CD1 3.48Å; I368-Y382 VanDerWaalsContact CD1-CD1 3.48Å; I368-Y382 HydrophobicContact CD1-CE1 3.38Å; I368-Y382 HydrophobicContact CD1-CG 4.33Å; I368-I395 HydrophobicContact CD1-CG2 3.77Å; I368-I395 HydrophobicContact CG1-CG2 4.32Å; I368-V396 PolarHBondContact N-O 3.04Å; I368-Y397 HydrophobicContact CB-CD1 3.78Å; I368-Y397 HydrophobicContact CB-CE1 3.67Å; I368-Y397 HydrophobicContact CB-CG 4.37Å; I368-Y397 HydrophobicContact CD1-CE1 3.92Å; I368-Y397 HydrophobicContact CD1-CE2 4.07Å; I368-Y397 HydrophobicContact CG1-CE1 4.37Å; I368-Y397 HydrophobicContact CG2-CD1 3.86Å; I368-Y397 HydrophobicContact CG2-CE1 3.48Å; I368-Y397 VanDerWaalsContact CG2-CE1 3.48Å; I368-Y397 CarbonylContact O-C 3.57Å; I368-Y397 VanDerWaalsContact O-CA 3.27Å; I368-Y397 WeakPolarHBondContact O-CA 3.47Å; I368-F398 PolarHBondContact O-N 2.77Å; I368-M446 CarbonylContact C-O 3.56Å; I368-M446 VanDerWaalsContact CA-O 3.3Å; I368-M446 WeakPolarHBondContact CA-O 2.99Å; I368-M446 HydrophobicContact CD1-SD 4.49Å; I368-M446 HydrophobicContact CG1-CB 4.31Å; I368-M446 HydrophobicContact CG2-CB 4.35Å; I368-M446 HydrophobicContact CG2-CG 4.25Å; I368-V448 HydrophobicContact CG2-CG2 4.24Å
369	I	98.3	Very high	95.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.8	169.1	-63.3	163.2	0	0	0	108	I371 F398 I400 L441 P442 A444 M446 I447 V448 Y469	I369-I371 HydrophobicContact CG2-CD1 4.22Å; I369-I371 HydrophobicContact CG2-CG1 3.86Å; I369-F398 WeakPolarHBondContact CA-O 3.37Å; I369-F398 HydrophobicContact CG1-CB 4.11Å; I369-F398 HydrophobicContact CG1-CD2 4.17Å; I369-I400 HydrophobicContact CG2-CD1 4.28Å; I369-L441 HydrophobicContact CD1-CB 4.13Å; I369-L441 HydrophobicContact CD1-CD1 4.44Å; I369-L441 HydrophobicContact CG2-CD2 4.3Å; I369-P442 HydrophobicContact CD1-CG 4.07Å; I369-P442 WeakPolarHBondContact CD1-O 3.37Å; I369-P442 HydrophobicContact CG1-CG 4.18Å; I369-A444 HydrophobicContact CD1-CB 3.61Å; I369-A444 HydrophobicContact CG1-CB 3.65Å; I369-M446 PolarHBondContact N-O 2.81Å; I369-I447 HydrophobicContact CB-CB 4.33Å; I369-I447 HydrophobicContact CB-CD1 4.43Å; I369-I447 HydrophobicContact CB-CG1 4.02Å; I369-I447 HydrophobicContact CG2-CD1 4.2Å; I369-I447 HydrophobicContact CG2-CG1 4.1Å; I369-I447 CarbonylContact O-C 3.59Å; I369-I447 VanDerWaalsContact O-CA 3.32Å; I369-I447 WeakPolarHBondContact O-CA 3.2Å; I369-V448 PolarHBondContact O-N 2.83Å; I369-Y469 HydrophobicContact CD1-CE1 3.76Å; I369-Y469 WeakPolarHBondContact CD1-OH 3.2Å
370	S	97.6	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.8	174.5	-178.3	0	0	0	0	110	V373 D378 F398 A399 I400 V448	S370-V373 WeakPolarHBondContact OG-CB 3.48Å; S370-V373 WeakPolarHBondContact OG-CG2 3.47Å; S370-D378 VanDerWaalsContact CB-OD2 3.28Å; S370-D378 WeakPolarHBondContact CB-OD2 3.26Å; S370-D378 PolarHBondContact OG-OD2 3.04Å; S370-F398 PolarHBondContact N-O 3.2Å; S370-A399 CarbonylContact O-C 3.51Å; S370-I400 PolarHBondContact O-N 3.48Å; S370-V448 CarbonylContact C-O 3.57Å; S370-V448 WeakPolarHBondContact CA-O 3.43Å
371	I	95.6	Very high	95.4	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.9	-177.4	-60.4	-179.9	0	0	0	109.5	I369 I400 F432 L441 I447 V448 F449 S450 M457	I369-I371 HydrophobicContact CG2-CD1 4.22Å; I369-I371 HydrophobicContact CG2-CG1 3.86Å; I371-I400 CarbonylContact C-O 3.58Å; I371-I400 WeakPolarHBondContact CA-O 3.31Å; I371-I400 HydrophobicContact CG1-CB 4.47Å; I371-F432 HydrophobicContact CD1-CB 4.47Å; I371-F432 HydrophobicContact CD1-CD1 3.72Å; I371-F432 HydrophobicContact CD1-CD2 3.97Å; I371-F432 HydrophobicContact CD1-CE1 3.79Å; I371-F432 HydrophobicContact CD1-CE2 4.09Å; I371-F432 HydrophobicContact CD1-CG 3.8Å; I371-F432 HydrophobicContact CD1-CZ 3.99Å; I371-F432 HydrophobicContact CG2-CB 3.96Å; I371-F432 HydrophobicContact CG2-CD1 4.16Å; I371-F432 HydrophobicContact CG2-CG 4.24Å; I371-L441 HydrophobicContact CD1-CD1 4.48Å; I371-I447 HydrophobicContact CD1-CD1 3.82Å; I371-I447 HydrophobicContact CD1-CG1 4.42Å; I371-V448 PolarHBondContact N-O 3.36Å; I371-F449 HydrophobicContact CB-CD1 3.95Å; I371-F449 HydrophobicContact CB-CE1 4.09Å; I371-F449 HydrophobicContact CD1-CD1 4.45Å; I371-F449 HydrophobicContact CD1-CE1 3.76Å; I371-F449 HydrophobicContact CD1-CZ 3.8Å; I371-F449 HydrophobicContact CG1-CE1 4.48Å; I371-F449 HydrophobicContact CG2-CD1 3.95Å; I371-F449 HydrophobicContact CG2-CE1 3.98Å; I371-F449 CarbonylContact O-C 3.5Å; I371-F449 WeakPolarHBondContact O-CA 3.3Å; I371-S450 PolarHBondContact O-N 3.45Å; I371-M457 HydrophobicContact CG2-CE 4.08Å
372	G	92.2	Very high	95.4	Very high	21 Å²	21	23.2 Å²	23.2	22%	0.216	12%	0.115	C	C	.	.	S	Bend	trans	70.4	26.4	-171	0	0	0	0	0	112.1	G374 I400 D401	G372-G374 PolarHBondContact O-N 3.22Å; G372-I400 PolarHBondContact N-O 3.16Å; G372-D401 WeakPolarHBondContact CA-OD2 3.48Å
373	V	94.1	Very high	95.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.096	C	C	.	.			trans	-52.1	-25.7	-171	66.4	0	0	0	0	114.2	S370 G376 P377 I379 A399 I400 D401 L410 F427	S370-V373 WeakPolarHBondContact OG-CB 3.48Å; S370-V373 WeakPolarHBondContact OG-CG2 3.47Å; V373-G376 PolarHBondContact O-N 2.87Å; V373-P377 WeakPolarHBondContact O-CD 3.41Å; V373-I379 HydrophobicContact CG2-CD1 3.73Å; V373-I379 HydrophobicContact CG2-CG1 4.13Å; V373-A399 HydrophobicContact CB-CB 4.42Å; V373-A399 HydrophobicContact CG1-CB 4.07Å; V373-A399 HydrophobicContact CG2-CB 4.22Å; V373-I400 PolarHBondContact N-O 3.43Å; V373-D401 HydrophobicContact CG1-CB 4.06Å; V373-D401 PolarHBondContact N-OD2 3.42Å; V373-L410 HydrophobicContact CG1-CD1 4Å; V373-L410 HydrophobicContact CG2-CD2 4.13Å; V373-F427 HydrophobicContact CG1-CE2 4.36Å
374	G	93.4	Very high	95.5	Very high	7 Å²	7	14 Å²	14	7%	0.072	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-131.3	-175.9	0	0	0	0	0	111.6	G372 G376 D401 W406	G372-G374 PolarHBondContact O-N 3.22Å; G374-G376 PolarHBondContact O-N 3.25Å; G374-D401 PolarHBondContact N-OD2 3.39Å; G374-W406 WeakPolarHBondContact O-CB 3.33Å
375	P	94.3	Very high	95.7	Very high	4 Å²	4	10.2 Å²	10.2	3%	0.026	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	4	177.9	33.6	-36.1	0	0	0	114.7	T331 Y335 W406	T331-P375 HydrophobicContact CG2-CB 3.59Å; T331-P375 HydrophobicContact CG2-CG 3.94Å; Y335-P375 HydrophobicContact CD2-CB 3.94Å; Y335-P375 HydrophobicContact CD2-CG 3.86Å; Y335-P375 HydrophobicContact CE2-CB 4.36Å; Y335-P375 WeakPolarHBondContact CE2-O 3.01Å; P375-W406 HydrophobicContact CB-CE3 4.17Å; P375-W406 HydrophobicContact CB-CZ3 4.19Å; P375-W406 HydrophobicContact CG-CZ3 4.38Å
376	G	95.1	Very high	95.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.			trans	88	39.4	179.8	0	0	0	0	0	116.9	V373 G374 I379 A380	V373-G376 PolarHBondContact O-N 2.87Å; G374-G376 PolarHBondContact O-N 3.25Å; G376-I379 PolarHBondContact O-N 3.49Å; G376-A380 PolarHBondContact O-N 2.93Å; G376-A380 VanDerWaalsContact O-N 3.16Å
377	P	94.7	Very high	95.5	Very high	6 Å²	6	9.9 Å²	9.9	4%	0.039	5%	0.048	C	C	.	.	H	α-helix	trans	-67.6	-37.5	-178.4	29.5	-32.8	0	0	0	113.4	S339 V373 A381	S339-P377 WeakPolarHBondContact CA-O 3.24Å; S339-P377 WeakPolarHBondContact CB-O 3.42Å; S339-P377 WeakPolarHBondContact OG-CA 3.16Å; S339-P377 WeakPolarHBondContact OG-CB 3.44Å; S339-P377 PolarHBondContact OG-O 3.47Å; V373-P377 WeakPolarHBondContact O-CD 3.41Å; P377-A381 WeakPolarHBondContact O-CB 3.47Å; P377-A381 PolarHBondContact O-N 2.92Å
378	D	95.4	Very high	95.2	Very high	1 Å²	1	6 Å²	6	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-66.8	-39.2	175	57.4	-57.7	0	0	0	111.7	F342 S370 A380 A381 Y382 V448 S450	F342-D378 HydrophobicContact CD2-CB 3.97Å; F342-D378 HydrophobicContact CE2-CB 4.18Å; F342-D378 HydrophobicContact CG-CB 4.3Å; S370-D378 VanDerWaalsContact CB-OD2 3.28Å; S370-D378 WeakPolarHBondContact CB-OD2 3.26Å; S370-D378 PolarHBondContact OG-OD2 3.04Å; D378-A380 PolarHBondContact O-N 3.25Å; D378-A381 PolarHBondContact O-N 3.46Å; D378-Y382 PolarHBondContact O-N 3.14Å; D378-V448 HydrophobicContact CB-CG1 4.05Å; D378-S450 VanDerWaalsContact OD1-CB 3.32Å; D378-S450 WeakPolarHBondContact OD1-CB 3.36Å; D378-S450 PolarHBondContact OD1-OG 3.48Å
379	I	95.6	Very high	94.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.3	-51.8	174.7	-56.9	-173.7	0	0	0	110	V373 G376 A381 L383 Y397 L410 F413 W417 V425	V373-I379 HydrophobicContact CG2-CD1 3.73Å; V373-I379 HydrophobicContact CG2-CG1 4.13Å; G376-I379 PolarHBondContact O-N 3.49Å; I379-A381 VanDerWaalsContact C-N 3.34Å; I379-A381 PolarHBondContact O-N 3.37Å; I379-L383 WeakPolarHBondContact O-CB 3.44Å; I379-L383 PolarHBondContact O-N 3.36Å; I379-Y397 HydrophobicContact CB-CE1 4.27Å; I379-Y397 HydrophobicContact CB-CE2 4.39Å; I379-Y397 HydrophobicContact CD1-CD1 3.97Å; I379-Y397 HydrophobicContact CD1-CE1 4.48Å; I379-Y397 HydrophobicContact CD1-CG 4.02Å; I379-Y397 HydrophobicContact CG1-CD1 3.67Å; I379-Y397 HydrophobicContact CG1-CD2 4.47Å; I379-Y397 HydrophobicContact CG1-CE1 3.69Å; I379-Y397 HydrophobicContact CG1-CE2 4.48Å; I379-Y397 HydrophobicContact CG1-CG 4.06Å; I379-Y397 HydrophobicContact CG2-CD2 3.87Å; I379-Y397 HydrophobicContact CG2-CE1 4.42Å; I379-Y397 HydrophobicContact CG2-CE2 3.7Å; I379-Y397 HydrophobicContact CG2-CG 4.28Å; I379-L410 HydrophobicContact CD1-CD2 4.31Å; I379-F413 HydrophobicContact CB-CZ 4.38Å; I379-F413 HydrophobicContact CD1-CE1 4.48Å; I379-F413 HydrophobicContact CD1-CZ 3.82Å; I379-F413 HydrophobicContact CG2-CE2 3.98Å; I379-F413 HydrophobicContact CG2-CZ 3.8Å; I379-W417 HydrophobicContact CG2-CZ3 4.26Å; I379-V425 HydrophobicContact CD1-CG1 4.01Å; I379-V425 HydrophobicContact CD1-CG2 4.42Å; I379-V425 HydrophobicContact CG2-CG2 4.43Å
380	A	94.6	Very high	94.6	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.5	-38.4	179.5	0	0	0	0	0	112.6	L281 Y335 G376 D378 A384 W417	L281-A380 HydrophobicContact CB-CB 4.49Å; L281-A380 HydrophobicContact CD1-CB 4.33Å; L281-A380 WeakPolarHBondContact CD1-O 3.47Å; Y335-A380 HydrophobicContact CE1-CB 4.09Å; Y335-A380 WeakPolarHBondContact OH-CB 3.47Å; G376-A380 PolarHBondContact O-N 2.93Å; G376-A380 VanDerWaalsContact O-N 3.16Å; D378-A380 PolarHBondContact O-N 3.25Å; A380-A384 WeakPolarHBondContact O-CB 3.41Å; A380-A384 PolarHBondContact O-N 3.36Å; A380-W417 HydrophobicContact CB-CH2 4.02Å; A380-W417 HydrophobicContact CB-CZ3 4.48Å
381	A	96	Very high	94.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.1	-48.1	179.6	0	0	0	0	0	112.2	I278 S339 F342 L343 P377 D378 I379 A384 Y385	I278-A381 HydrophobicContact CD1-CB 4.35Å; S339-A381 VanDerWaalsContact O-CB 3.22Å; S339-A381 WeakPolarHBondContact O-CB 3.47Å; F342-A381 HydrophobicContact CB-CB 4.03Å; F342-A381 HydrophobicContact CD1-CB 3.46Å; F342-A381 VanDerWaalsContact CD1-CB 3.46Å; F342-A381 HydrophobicContact CE1-CB 4.29Å; F342-A381 HydrophobicContact CG-CB 4.09Å; L343-A381 HydrophobicContact CB-CB 4.33Å; P377-A381 WeakPolarHBondContact O-CB 3.47Å; P377-A381 PolarHBondContact O-N 2.92Å; D378-A381 PolarHBondContact O-N 3.46Å; I379-A381 VanDerWaalsContact C-N 3.34Å; I379-A381 PolarHBondContact O-N 3.37Å; A381-A384 PolarHBondContact O-N 2.83Å; A381-Y385 WeakPolarHBondContact O-CB 3.45Å; A381-Y385 PolarHBondContact O-N 3.44Å
382	Y	97.2	Very high	94.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.5	-39.5	177.2	-178.5	-106.7	0	0	0	112	L346 L361 V365 I368 D378 A384 Y385 A386 I395 Y397	L346-Y382 HydrophobicContact CD2-CD2 4.32Å; L361-Y382 HydrophobicContact CB-CE2 4.25Å; L361-Y382 HydrophobicContact CD1-CE2 4.17Å; L361-Y382 HydrophobicContact CD2-CE2 3.63Å; L361-Y382 HydrophobicContact CG-CE2 4.21Å; L361-Y382 PolarHBondContact O-OH 3.42Å; V365-Y382 HydrophobicContact CG1-CE1 4.31Å; I368-Y382 HydrophobicContact CD1-CD1 3.48Å; I368-Y382 VanDerWaalsContact CD1-CD1 3.48Å; I368-Y382 HydrophobicContact CD1-CE1 3.38Å; I368-Y382 HydrophobicContact CD1-CG 4.33Å; D378-Y382 PolarHBondContact O-N 3.14Å; Y382-A384 VanDerWaalsContact C-N 3.34Å; Y382-A384 PolarHBondContact O-N 2.96Å; Y382-Y385 HydrophobicContact CD2-CD1 4.09Å; Y382-Y385 HydrophobicContact CE2-CD1 4.03Å; Y382-Y385 HydrophobicContact CE2-CE1 4.36Å; Y382-Y385 WeakPolarHBondContact O-CB 3.38Å; Y382-Y385 PolarHBondContact O-N 3.34Å; Y382-A386 HydrophobicContact CE1-CB 4.43Å; Y382-A386 VanDerWaalsContact O-CB 3.26Å; Y382-A386 WeakPolarHBondContact O-CB 3.49Å; Y382-A386 PolarHBondContact O-N 3Å; Y382-I395 HydrophobicContact CD1-CD1 4.13Å; Y382-I395 HydrophobicContact CE1-CD1 3.68Å; Y382-I395 HydrophobicContact CE1-CG1 4.38Å; Y382-I395 HydrophobicContact CE1-CG2 4.46Å; Y382-Y397 VanDerWaalsContact CB-OH 3.28Å; Y382-Y397 WeakPolarHBondContact CB-OH 3.35Å; Y382-Y397 WeakPolarHBondContact CD1-OH 3.43Å
383	L	95.3	Very high	94.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-42.6	176.8	-171.1	64.1	0	0	0	111.3	L281 I379 A386 R387 I395 W417 Y421 V423	L281-L383 HydrophobicContact CD1-CB 4.27Å; L281-L383 HydrophobicContact CD1-CD2 4.27Å; L281-L383 HydrophobicContact CD1-CG 4.42Å; L281-L383 HydrophobicContact CD2-CD2 4.02Å; I379-L383 WeakPolarHBondContact O-CB 3.44Å; I379-L383 PolarHBondContact O-N 3.36Å; L383-A386 PolarHBondContact O-N 3.27Å; L383-R387 HydrophobicContact CD1-CG 3.96Å; L383-R387 HydrophobicContact CG-CG 4.29Å; L383-R387 WeakPolarHBondContact O-CB 3.19Å; L383-R387 WeakPolarHBondContact O-CG 3.34Å; L383-R387 PolarHBondContact O-N 2.71Å; L383-I395 HydrophobicContact CD1-CD1 4.16Å; L383-W417 HydrophobicContact CD2-CD2 4.07Å; L383-W417 HydrophobicContact CD2-CE3 3.43Å; L383-W417 VanDerWaalsContact CD2-CE3 3.43Å; L383-W417 HydrophobicContact CD2-CZ3 4.04Å; L383-Y421 HydrophobicContact CD2-CG 4.27Å; L383-V423 HydrophobicContact CD1-CB 4.25Å; L383-V423 HydrophobicContact CD2-CB 4.4Å; L383-V423 HydrophobicContact CD2-CG1 4.1Å
384	A	95.1	Very high	94.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-49.3	173.7	0	0	0	0	0	111.7	E274 R277 I278 L281 A380 A381 Y382 C388	E274-A384 WeakPolarHBondContact O-CB 3.16Å; R277-A384 HydrophobicContact CB-CB 3.89Å; R277-A384 HydrophobicContact CG-CB 3.82Å; I278-A384 HydrophobicContact CD1-CB 4.49Å; I278-A384 HydrophobicContact CG1-CB 3.66Å; L281-A384 HydrophobicContact CD1-CB 4.13Å; A380-A384 WeakPolarHBondContact O-CB 3.41Å; A380-A384 PolarHBondContact O-N 3.36Å; A381-A384 PolarHBondContact O-N 2.83Å; Y382-A384 VanDerWaalsContact C-N 3.34Å; Y382-A384 PolarHBondContact O-N 2.96Å; A384-C388 WeakPolarHBondContact O-CB 3.12Å; A384-C388 PolarHBondContact O-N 3.23Å; A384-C388 PolarHBondContact O-SG 3.04Å
385	Y	96.5	Very high	94.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-53.5	-56.8	174.6	169.2	-96.6	0	0	0	112	L343 L346 V347 I351 E358 L361 A381 Y382 R387 C388 R389 F391	L343-Y385 HydrophobicContact CD1-CD2 4.29Å; L343-Y385 HydrophobicContact CD1-CG 4.44Å; L346-Y385 HydrophobicContact CD2-CD1 4Å; L346-Y385 HydrophobicContact CD2-CD2 4.22Å; L346-Y385 HydrophobicContact CD2-CE1 4.2Å; L346-Y385 HydrophobicContact CD2-CE2 4.37Å; L346-Y385 HydrophobicContact CD2-CG 4.03Å; V347-Y385 HydrophobicContact CG2-CD2 3.73Å; V347-Y385 HydrophobicContact CG2-CE2 3.92Å; I351-Y385 HydrophobicContact CD1-CE2 3.82Å; I351-Y385 WeakPolarHBondContact CD1-OH 3.48Å; E358-Y385 WeakPolarHBondContact CG-OH 3.4Å; L361-Y385 HydrophobicContact CB-CE1 4.47Å; L361-Y385 HydrophobicContact CD1-CE1 3.92Å; A381-Y385 WeakPolarHBondContact O-CB 3.45Å; A381-Y385 PolarHBondContact O-N 3.44Å; Y382-Y385 HydrophobicContact CD2-CD1 4.09Å; Y382-Y385 HydrophobicContact CE2-CD1 4.03Å; Y382-Y385 HydrophobicContact CE2-CE1 4.36Å; Y382-Y385 WeakPolarHBondContact O-CB 3.38Å; Y382-Y385 PolarHBondContact O-N 3.34Å; Y385-R387 PolarHBondContact O-N 2.62Å; Y385-C388 PolarHBondContact O-N 2.89Å; Y385-R389 VanDerWaalsContact CE2-CD 3.43Å; Y385-R389 WeakPolarHBondContact O-CB 3.43Å; Y385-R389 WeakPolarHBondContact O-CG 3.24Å; Y385-R389 PolarHBondContact O-N 3.37Å; Y385-R389 VanDerWaalsContact O-N 3.08Å; Y385-F391 HydrophobicContact CD1-CE2 4.25Å; Y385-F391 AromaticContact CE1-CE2 3.63Å; Y385-F391 HydrophobicContact CE1-CE2 3.63Å; Y385-F391 AromaticContact CE1-CZ 3.74Å; Y385-F391 HydrophobicContact CE1-CZ 3.74Å
386	A	95.7	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58	-51.1	-175.6	0	0	0	0	0	110.9	Y382 L383 R389 G390 F391 I395	Y382-A386 HydrophobicContact CE1-CB 4.43Å; Y382-A386 VanDerWaalsContact O-CB 3.26Å; Y382-A386 WeakPolarHBondContact O-CB 3.49Å; Y382-A386 PolarHBondContact O-N 3Å; L383-A386 PolarHBondContact O-N 3.27Å; A386-R389 CarbonylContact O-C 3.03Å; A386-R389 PolarHBondContact O-N 3.23Å; A386-G390 PolarHBondContact O-N 3.26Å; A386-F391 HydrophobicContact CB-CB 3.83Å; A386-F391 HydrophobicContact CB-CD2 3.53Å; A386-F391 HydrophobicContact CB-CE2 4.35Å; A386-F391 HydrophobicContact CB-CG 3.97Å; A386-F391 WeakPolarHBondContact O-CB 3.41Å; A386-F391 WeakPolarHBondContact O-CG 3.38Å; A386-F391 PolarHBondContact O-N 2.96Å; A386-I395 HydrophobicContact CB-CD1 4.13Å
387	R	93.5	Very high	94.6	Very high	39 Å²	39	24.9 Å²	24.9	15%	0.147	14%	0.135	C	C	.	.	H	α-helix	trans	-72.3	-35.8	-175	-58.3	-65.4	174.6	-108.8	1.5	112.3	L383 Y385 R389 G390 F391 Q393 Y421	L383-R387 HydrophobicContact CD1-CG 3.96Å; L383-R387 HydrophobicContact CG-CG 4.29Å; L383-R387 WeakPolarHBondContact O-CB 3.19Å; L383-R387 WeakPolarHBondContact O-CG 3.34Å; L383-R387 PolarHBondContact O-N 2.71Å; Y385-R387 PolarHBondContact O-N 2.62Å; R387-R389 PolarHBondContact O-N 3.43Å; R387-G390 PolarHBondContact O-N 3.19Å; R387-F391 PolarHBondContact NH1-O 3.31Å; R387-Q393 PolarHBondContact NH1-O 3.26Å; R387-Q393 PolarHBondContact NH2-O 2.87Å; R387-Y421 HydrophobicContact CB-CD1 4.48Å; R387-Y421 HydrophobicContact CG-CD1 3.96Å; R387-Y421 PolarHBondContact NE-O 3.15Å; R387-Y421 PolarHBondContact NH2-O 2.96Å
388	C	92	Very high	94.7	Very high	40 Å²	40	27 Å²	27	27%	0.27	14%	0.143	S	C	.	.	H	α-helix	trans	-65.4	-24.4	172.4	-75.6	0	0	0	0	112.9	E274 A384 Y385	E274-C388 HydrophobicContact CG-CB 3.71Å; A384-C388 WeakPolarHBondContact O-CB 3.12Å; A384-C388 PolarHBondContact O-N 3.23Å; A384-C388 PolarHBondContact O-SG 3.04Å; Y385-C388 PolarHBondContact O-N 2.89Å
389	R	91.5	Very high	94.8	Very high	52 Å²	52	26.9 Å²	26.9	20%	0.196	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.4	176	-65.6	-166.7	179.1	-142.5	8	114.4	E274 E358 Y385 A386 R387 F391	E274-R389 IonicContact OE1-NE 3.78Å; E274-R389 PolarHBondContact OE1-NE 3.35Å; E274-R389 IonicContact OE1-NH2 2.99Å; E358-R389 IonicContact OE1-CZ 2.83Å; E358-R389 IonicContact OE1-NH1 3.14Å; E358-R389 PolarHBondContact OE1-NH1 3.41Å; E358-R389 IonicContact OE2-NH1 3.88Å; E358-R389 PolarHBondContact OE2-NH1 2.81Å; Y385-R389 VanDerWaalsContact CE2-CD 3.43Å; Y385-R389 WeakPolarHBondContact O-CB 3.43Å; Y385-R389 WeakPolarHBondContact O-CG 3.24Å; Y385-R389 PolarHBondContact O-N 3.37Å; Y385-R389 VanDerWaalsContact O-N 3.08Å; A386-R389 CarbonylContact O-C 3.03Å; A386-R389 PolarHBondContact O-N 3.23Å; R387-R389 PolarHBondContact O-N 3.43Å; R389-F391 HydrophobicContact CB-CD1 3.97Å; R389-F391 HydrophobicContact CB-CE1 3.73Å; R389-F391 HydrophobicContact CB-CZ 4.44Å
390	G	91.4	Very high	94.9	Very high	53 Å²	53	27.8 Å²	27.8	55%	0.546	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	19.9	175.3	0	0	0	0	0	114.4	A386 R387 T392	A386-G390 PolarHBondContact O-N 3.26Å; R387-G390 PolarHBondContact O-N 3.19Å; G390-T392 PolarHBondContact O-N 3.46Å
391	F	93.9	Very high	94.8	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.031	15%	0.151	C	C	.	.			trans	-67.4	122.9	173.9	-68.5	15.5	0	0	0	108.3	L361 R362 Y385 A386 R387 R389 Q393	L361-F391 HydrophobicContact CB-CE2 3.89Å; L361-F391 HydrophobicContact CB-CZ 4.42Å; R362-F391 HydrophobicContact CB-CD1 4.04Å; R362-F391 HydrophobicContact CB-CD2 4.46Å; R362-F391 HydrophobicContact CB-CE1 3.57Å; R362-F391 HydrophobicContact CB-CE2 4.03Å; R362-F391 HydrophobicContact CB-CG 4.49Å; R362-F391 HydrophobicContact CB-CZ 3.57Å; R362-F391 HydrophobicContact CG-CD1 3.67Å; R362-F391 HydrophobicContact CG-CE1 3.59Å; R362-F391 HydrophobicContact CG-CG 4.28Å; R362-F391 HydrophobicContact CG-CZ 4.13Å; Y385-F391 HydrophobicContact CD1-CE2 4.25Å; Y385-F391 AromaticContact CE1-CE2 3.63Å; Y385-F391 HydrophobicContact CE1-CE2 3.63Å; Y385-F391 AromaticContact CE1-CZ 3.74Å; Y385-F391 HydrophobicContact CE1-CZ 3.74Å; A386-F391 HydrophobicContact CB-CB 3.83Å; A386-F391 HydrophobicContact CB-CD2 3.53Å; A386-F391 HydrophobicContact CB-CE2 4.35Å; A386-F391 HydrophobicContact CB-CG 3.97Å; A386-F391 WeakPolarHBondContact O-CB 3.41Å; A386-F391 WeakPolarHBondContact O-CG 3.38Å; A386-F391 PolarHBondContact O-N 2.96Å; R387-F391 PolarHBondContact NH1-O 3.31Å; R389-F391 HydrophobicContact CB-CD1 3.97Å; R389-F391 HydrophobicContact CB-CE1 3.73Å; R389-F391 HydrophobicContact CB-CZ 4.44Å; F391-Q393 VanDerWaalsContact CB-OE1 3.24Å
392	T	90.1	Very high	94.7	Very high	115 Å²	115	32.2 Å²	32.2	71%	0.706	17%	0.168	S	C	*	.			trans	-106	-8.3	-173.9	54.8	0	0	0	0	113.4	G390 Q422	G390-T392 PolarHBondContact O-N 3.46Å; T392-Q422 PolarHBondContact O-OE1 2.86Å; T392-Q422 VanDerWaalsContact O-OE1 3.1Å
393	Q	92.6	Very high	94.5	Very high	33 Å²	33	32.3 Å²	32.3	15%	0.154	17%	0.169	C	C	.	.	S	Bend	trans	-66	147.3	179.4	73.4	-80.8	25.2	0	0	112.1	L361 R362 V365 R387 F391	L361-Q393 PolarHBondContact O-NE2 2.88Å; R362-Q393 VanDerWaalsContact O-CD 3.3Å; R362-Q393 PolarHBondContact O-NE2 3.16Å; R362-Q393 PolarHBondContact O-OE1 2.65Å; V365-Q393 WeakPolarHBondContact O-CG 3.42Å; V365-Q393 PolarHBondContact O-NE2 3.16Å; R387-Q393 PolarHBondContact NH1-O 3.26Å; R387-Q393 PolarHBondContact NH2-O 2.87Å; F391-Q393 VanDerWaalsContact CB-OE1 3.24Å
394	R	94.5	Very high	94.5	Very high	147 Å²	147	35.1 Å²	35.1	56%	0.555	19%	0.192	S	C	*	.			trans	-70	131.8	172.2	-176.4	179.2	-178.3	175.7	0.9	109.7	Q422 S424	R394-Q422 VanDerWaalsContact CA-O 3.3Å; R394-Q422 WeakPolarHBondContact CA-O 3.29Å; R394-Q422 HydrophobicContact CB-CB 4.44Å; R394-Q422 HydrophobicContact CG-CB 4.5Å; R394-Q422 WeakPolarHBondContact CG-O 3.31Å; R394-S424 PolarHBondContact NH2-OG 3.41Å
395	I	96.2	Very high	94.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.2	180	-59.1	164.7	0	0	0	109.4	S366 I368 Y382 L383 A386 Y397 Q422 V423 S424	S366-I395 CarbonylContact O-C 3.54Å; S366-I395 WeakPolarHBondContact O-CA 3.5Å; I368-I395 HydrophobicContact CD1-CG2 3.77Å; I368-I395 HydrophobicContact CG1-CG2 4.32Å; Y382-I395 HydrophobicContact CD1-CD1 4.13Å; Y382-I395 HydrophobicContact CE1-CD1 3.68Å; Y382-I395 HydrophobicContact CE1-CG1 4.38Å; Y382-I395 HydrophobicContact CE1-CG2 4.46Å; L383-I395 HydrophobicContact CD1-CD1 4.16Å; A386-I395 HydrophobicContact CB-CD1 4.13Å; I395-Y397 HydrophobicContact CG2-CD2 3.77Å; I395-Y397 HydrophobicContact CG2-CE2 3.42Å; I395-Y397 VanDerWaalsContact CG2-CE2 3.42Å; I395-Q422 PolarHBondContact N-O 3.3Å; I395-V423 CarbonylContact O-C 3.51Å; I395-V423 VanDerWaalsContact O-CA 3.22Å; I395-V423 WeakPolarHBondContact O-CA 3.36Å; I395-S424 PolarHBondContact O-N 2.87Å
396	V	97	Very high	94.4	Very high	27 Å²	27	35.9 Å²	35.9	16%	0.164	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.5	175.4	-178.3	0	0	0	0	109.1	S366 R367 I368 F398 S424	S366-V396 PolarHBondContact O-N 3.48Å; R367-V396 CarbonylContact C-O 3.56Å; R367-V396 WeakPolarHBondContact CA-O 3.38Å; I368-V396 PolarHBondContact N-O 3.04Å; V396-F398 HydrophobicContact CG1-CE1 4.35Å; V396-F398 HydrophobicContact CG1-CE2 4.4Å; V396-F398 HydrophobicContact CG1-CZ 4.1Å; V396-S424 CarbonylContact C-O 3.59Å; V396-S424 WeakPolarHBondContact CA-O 3.39Å
397	Y	97.7	Very high	94.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.5	173.4	-80.4	-92.5	0	0	0	111.4	I368 I379 Y382 I395 V423 S424 V425 W426	I368-Y397 HydrophobicContact CB-CD1 3.78Å; I368-Y397 HydrophobicContact CB-CE1 3.67Å; I368-Y397 HydrophobicContact CB-CG 4.37Å; I368-Y397 HydrophobicContact CD1-CE1 3.92Å; I368-Y397 HydrophobicContact CD1-CE2 4.07Å; I368-Y397 HydrophobicContact CG1-CE1 4.37Å; I368-Y397 HydrophobicContact CG2-CD1 3.86Å; I368-Y397 HydrophobicContact CG2-CE1 3.48Å; I368-Y397 VanDerWaalsContact CG2-CE1 3.48Å; I368-Y397 CarbonylContact O-C 3.57Å; I368-Y397 VanDerWaalsContact O-CA 3.27Å; I368-Y397 WeakPolarHBondContact O-CA 3.47Å; I379-Y397 HydrophobicContact CB-CE1 4.27Å; I379-Y397 HydrophobicContact CB-CE2 4.39Å; I379-Y397 HydrophobicContact CD1-CD1 3.97Å; I379-Y397 HydrophobicContact CD1-CE1 4.48Å; I379-Y397 HydrophobicContact CD1-CG 4.02Å; I379-Y397 HydrophobicContact CG1-CD1 3.67Å; I379-Y397 HydrophobicContact CG1-CD2 4.47Å; I379-Y397 HydrophobicContact CG1-CE1 3.69Å; I379-Y397 HydrophobicContact CG1-CE2 4.48Å; I379-Y397 HydrophobicContact CG1-CG 4.06Å; I379-Y397 HydrophobicContact CG2-CD2 3.87Å; I379-Y397 HydrophobicContact CG2-CE1 4.42Å; I379-Y397 HydrophobicContact CG2-CE2 3.7Å; I379-Y397 HydrophobicContact CG2-CG 4.28Å; Y382-Y397 VanDerWaalsContact CB-OH 3.28Å; Y382-Y397 WeakPolarHBondContact CB-OH 3.35Å; Y382-Y397 WeakPolarHBondContact CD1-OH 3.43Å; I395-Y397 HydrophobicContact CG2-CD2 3.77Å; I395-Y397 HydrophobicContact CG2-CE2 3.42Å; I395-Y397 VanDerWaalsContact CG2-CE2 3.42Å; Y397-V423 HydrophobicContact CD2-CG2 4.1Å; Y397-V423 HydrophobicContact CE2-CG2 4.4Å; Y397-S424 PolarHBondContact N-O 3.13Å; Y397-V425 HydrophobicContact CD2-CG2 4.39Å; Y397-W426 PolarHBondContact O-N 3.46Å
398	F	97.7	Very high	94.4	Very high	49 Å²	49	39.5 Å²	39.5	22%	0.215	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	92	162.9	-56.6	-73.1	0	0	0	108.1	R367 I368 I369 S370 V396 W426 P442	R367-F398 HydrophobicContact CB-CE2 4.23Å; R367-F398 HydrophobicContact CG-CE2 4.48Å; I368-F398 PolarHBondContact O-N 2.77Å; I369-F398 WeakPolarHBondContact CA-O 3.37Å; I369-F398 HydrophobicContact CG1-CB 4.11Å; I369-F398 HydrophobicContact CG1-CD2 4.17Å; S370-F398 PolarHBondContact N-O 3.2Å; V396-F398 HydrophobicContact CG1-CE1 4.35Å; V396-F398 HydrophobicContact CG1-CE2 4.4Å; V396-F398 HydrophobicContact CG1-CZ 4.1Å; F398-W426 CarbonylContact C-O 3.53Å; F398-W426 HydrophobicContact CD1-CB 4.18Å; F398-P442 HydrophobicContact CB-CG 4.2Å; F398-P442 HydrophobicContact CD1-CG 4.14Å; F398-P442 HydrophobicContact CD2-CB 4.45Å; F398-P442 HydrophobicContact CD2-CG 3.65Å; F398-P442 HydrophobicContact CE1-CG 4.44Å; F398-P442 HydrophobicContact CE2-CB 4.29Å; F398-P442 HydrophobicContact CE2-CG 3.98Å; F398-P442 HydrophobicContact CG-CG 3.73Å; F398-P442 HydrophobicContact CZ-CB 4.42Å; F398-P442 HydrophobicContact CZ-CG 4.36Å
399	A	97.2	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.4	-175.4	0	0	0	0	0	110.2	S370 V373 L410 V425 W426 F427 K428	S370-A399 CarbonylContact O-C 3.51Å; V373-A399 HydrophobicContact CB-CB 4.42Å; V373-A399 HydrophobicContact CG1-CB 4.07Å; V373-A399 HydrophobicContact CG2-CB 4.22Å; A399-L410 HydrophobicContact CB-CD1 3.88Å; A399-V425 HydrophobicContact CB-CG1 3.94Å; A399-W426 PolarHBondContact N-O 2.83Å; A399-F427 HydrophobicContact CB-CD2 4.15Å; A399-F427 CarbonylContact O-C 3.47Å; A399-F427 WeakPolarHBondContact O-CA 3.2Å; A399-F427 WeakPolarHBondContact O-CD2 3.3Å; A399-K428 PolarHBondContact O-N 3.12Å
400	I	96.3	Very high	94.6	Very high	18 Å²	18	35.5 Å²	35.5	9%	0.092	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.6	-177	-54.2	178	0	0	0	108.8	I369 S370 I371 G372 V373 K428 L441	I369-I400 HydrophobicContact CG2-CD1 4.28Å; S370-I400 PolarHBondContact O-N 3.48Å; I371-I400 CarbonylContact C-O 3.58Å; I371-I400 WeakPolarHBondContact CA-O 3.31Å; I371-I400 HydrophobicContact CG1-CB 4.47Å; G372-I400 PolarHBondContact N-O 3.16Å; V373-I400 PolarHBondContact N-O 3.43Å; I400-K428 WeakPolarHBondContact CA-O 3.46Å; I400-L441 HydrophobicContact CD1-CD2 3.59Å
401	D	94.4	Very high	94.7	Very high	16 Å²	16	34.8 Å²	34.8	9%	0.086	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.9	169.7	-155.3	-74.5	0	0	0	109.8	G372 V373 G374 C403 W406 F427 K428 S429 S430	G372-D401 WeakPolarHBondContact CA-OD2 3.48Å; V373-D401 HydrophobicContact CG1-CB 4.06Å; V373-D401 PolarHBondContact N-OD2 3.42Å; G374-D401 PolarHBondContact N-OD2 3.39Å; D401-C403 VanDerWaalsContact C-N 3.27Å; D401-C403 PolarHBondContact O-N 2.68Å; D401-C403 PolarHBondContact OD1-N 2.86Å; D401-W406 VanDerWaalsContact OD1-CD1 3.29Å; D401-W406 PolarHBondContact OD1-NE1 3.48Å; D401-F427 HydrophobicContact CB-CE2 3.83Å; D401-F427 HydrophobicContact CB-CZ 4.22Å; D401-K428 PolarHBondContact N-O 3.13Å; D401-S429 CarbonylContact O-C 3.16Å; D401-S429 WeakPolarHBondContact O-CA 3.45Å; D401-S430 CarbonylContact C-O 3.58Å; D401-S430 PolarHBondContact O-N 3.45Å
402	Q	92.3	Very high	94.4	Very high	77 Å²	77	35.7 Å²	35.7	36%	0.36	20%	0.201	S	C	.	.	S	Bend	trans	-69.3	-28.9	174.4	66.5	-176.3	-8.2	0	0	112	S429 S430 R431	Q402-S429 PolarHBondContact O-OG 2.73Å; Q402-S430 WeakPolarHBondContact CA-O 3.43Å; Q402-S430 PolarHBondContact N-O 3.02Å; Q402-R431 HydrophobicContact CB-CB 4.14Å; Q402-R431 HydrophobicContact CB-CG 4.4Å
403	C	93.5	Very high	94.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	17%	0.168	C	C	.	.			trans	-91.7	108	-178	-179	0	0	0	0	110.9	Y321 D401 G405 W406	Y321-C403 VanDerWaalsContact C-SG 3.6Å; Y321-C403 PolarHBondContact O-SG 2.9Å; D401-C403 VanDerWaalsContact C-N 3.27Å; D401-C403 PolarHBondContact O-N 2.68Å; D401-C403 PolarHBondContact OD1-N 2.86Å; C403-G405 PolarHBondContact O-N 2.88Å; C403-G405 VanDerWaalsContact O-N 3.12Å; C403-W406 VanDerWaalsContact O-CD1 3.28Å; C403-W406 PolarHBondContact O-N 2.92Å
404	A	94.5	Very high	93.9	Very high	60 Å²	60	30.5 Å²	30.5	50%	0.496	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-57.1	-29.4	178.7	0	0	0	0	0	113.3	W406 G407 F427 S429	A404-W406 PolarHBondContact O-N 3.32Å; A404-W406 VanDerWaalsContact O-N 3.13Å; A404-G407 PolarHBondContact O-N 3.28Å; A404-F427 WeakPolarHBondContact O-CE1 3.49Å; A404-S429 WeakPolarHBondContact CA-OG 3.4Å; A404-S429 WeakPolarHBondContact CB-OG 2.83Å; A404-S429 PolarHBondContact N-OG 2.87Å
405	G	94.4	Very high	93.4	Very high	13 Å²	13	33.4 Å²	33.4	13%	0.134	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64.3	-15.8	-177.8	0	0	0	0	0	114.5	R327 C403 G407	R327-G405 PolarHBondContact NE-O 3.16Å; C403-G405 PolarHBondContact O-N 2.88Å; C403-G405 VanDerWaalsContact O-N 3.12Å; G405-G407 VanDerWaalsContact C-N 3.29Å
406	W	95.3	Very high	92.7	Very high	4 Å²	4	37 Å²	37	2%	0.015	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-67.8	-29.4	171.4	-67.2	129.5	0	0	0	113.3	Y321 R327 Y330 T331 G374 P375 D401 C403 A404 N408 Y409 L410 F427	Y321-W406 HydrophobicContact CD1-CH2 4.45Å; Y321-W406 AromaticContact CD1-CZ2 3.57Å; Y321-W406 HydrophobicContact CD1-CZ2 3.57Å; Y321-W406 HydrophobicContact CE1-CZ2 4.08Å; R327-W406 HydrophobicContact CB-CE3 4.45Å; R327-W406 HydrophobicContact CB-CH2 3.93Å; R327-W406 HydrophobicContact CB-CZ3 3.74Å; R327-W406 HydrophobicContact CG-CE3 4.36Å; R327-W406 HydrophobicContact CG-CH2 3.78Å; R327-W406 HydrophobicContact CG-CZ2 4.16Å; R327-W406 HydrophobicContact CG-CZ3 3.89Å; Y330-W406 AromaticContact CD1-CH2 3.6Å; Y330-W406 HydrophobicContact CD1-CH2 3.6Å; Y330-W406 HydrophobicContact CD1-CZ2 4.29Å; Y330-W406 HydrophobicContact CD1-CZ3 4.42Å; Y330-W406 HydrophobicContact CE1-CH2 4.19Å; Y330-W406 HydrophobicContact CG-CH2 4.17Å; T331-W406 WeakPolarHBondContact OG1-CZ3 3.49Å; G374-W406 WeakPolarHBondContact O-CB 3.33Å; P375-W406 HydrophobicContact CB-CE3 4.17Å; P375-W406 HydrophobicContact CB-CZ3 4.19Å; P375-W406 HydrophobicContact CG-CZ3 4.38Å; D401-W406 VanDerWaalsContact OD1-CD1 3.29Å; D401-W406 PolarHBondContact OD1-NE1 3.48Å; C403-W406 VanDerWaalsContact O-CD1 3.28Å; C403-W406 PolarHBondContact O-N 2.92Å; A404-W406 PolarHBondContact O-N 3.32Å; A404-W406 VanDerWaalsContact O-N 3.13Å; W406-N408 PolarHBondContact O-N 3.38Å; W406-Y409 AromaticContact CE3-CD2 3.68Å; W406-Y409 HydrophobicContact CE3-CD2 3.68Å; W406-Y409 AromaticContact CE3-CE2 3.9Å; W406-Y409 HydrophobicContact CE3-CE2 3.9Å; W406-Y409 HydrophobicContact CZ3-CD2 4.16Å; W406-Y409 HydrophobicContact CZ3-CE2 4.02Å; W406-Y409 PolarHBondContact O-N 2.76Å; W406-L410 PolarHBondContact O-N 2.66Å; W406-L410 VanDerWaalsContact O-N 3.13Å; W406-F427 HydrophobicContact CB-CZ 4.34Å
407	G	95.4	Very high	92.1	Very high	13 Å²	13	35.7 Å²	35.7	13%	0.134	19%	0.191	C	C	.	.	H	α-helix	trans	-54.8	-30	179.9	0	0	0	0	0	113.6	A404 G405 L410 A411	A404-G407 PolarHBondContact O-N 3.28Å; G405-G407 VanDerWaalsContact C-N 3.29Å; G407-L410 PolarHBondContact O-N 3.26Å; G407-A411 WeakPolarHBondContact O-CB 3.29Å; G407-A411 PolarHBondContact O-N 2.96Å
408	N	93.8	Very high	91.6	Very high	101 Å²	101	37.5 Å²	37.5	54%	0.54	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-39.3	175.8	-69.7	-19.6	0	0	0	112.7	L288 W406 A412	L288-N408 HydrophobicContact CD2-CB 4.36Å; W406-N408 PolarHBondContact O-N 3.38Å; N408-A412 WeakPolarHBondContact O-CB 3.21Å; N408-A412 PolarHBondContact O-N 3.32Å; N408-A412 VanDerWaalsContact O-N 3.14Å
409	Y	94.1	Very high	90.9	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-73.5	-39.7	177	-58.6	-76	0	0	0	111	I285 L288 L289 R327 A328 W406 A412 F413	I285-Y409 HydrophobicContact CG2-CD1 4.06Å; L288-Y409 HydrophobicContact CD2-CD1 3.67Å; L288-Y409 HydrophobicContact CD2-CE1 3.83Å; L288-Y409 HydrophobicContact CD2-CG 4.36Å; L288-Y409 HydrophobicContact CG-CD1 4.4Å; L288-Y409 HydrophobicContact CG-CE1 4.18Å; L289-Y409 HydrophobicContact CD2-CD1 4.19Å; L289-Y409 HydrophobicContact CD2-CE1 3.38Å; L289-Y409 HydrophobicContact CG-CE1 4.23Å; R327-Y409 HydrophobicContact CB-CE2 3.95Å; A328-Y409 WeakPolarHBondContact CA-OH 3.31Å; A328-Y409 PolarHBondContact N-OH 3.1Å; W406-Y409 AromaticContact CE3-CD2 3.68Å; W406-Y409 HydrophobicContact CE3-CD2 3.68Å; W406-Y409 AromaticContact CE3-CE2 3.9Å; W406-Y409 HydrophobicContact CE3-CE2 3.9Å; W406-Y409 HydrophobicContact CZ3-CD2 4.16Å; W406-Y409 HydrophobicContact CZ3-CE2 4.02Å; W406-Y409 PolarHBondContact O-N 2.76Å; Y409-A412 WeakPolarHBondContact O-CB 3.35Å; Y409-A412 PolarHBondContact O-N 2.8Å; Y409-F413 WeakPolarHBondContact O-CD1 3.29Å; Y409-F413 PolarHBondContact O-N 2.94Å
410	L	94.7	Very high	90.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-44.7	177.4	-56.6	177.9	0	0	0	111.5	V373 I379 A399 W406 G407 A412 F413 D414 V425 F427	V373-L410 HydrophobicContact CG1-CD1 4Å; V373-L410 HydrophobicContact CG2-CD2 4.13Å; I379-L410 HydrophobicContact CD1-CD2 4.31Å; A399-L410 HydrophobicContact CB-CD1 3.88Å; W406-L410 PolarHBondContact O-N 2.66Å; W406-L410 VanDerWaalsContact O-N 3.13Å; G407-L410 PolarHBondContact O-N 3.26Å; L410-A412 VanDerWaalsContact C-N 3.3Å; L410-A412 PolarHBondContact O-N 3.34Å; L410-F413 HydrophobicContact CB-CE1 3.93Å; L410-F413 HydrophobicContact CB-CZ 4.38Å; L410-F413 HydrophobicContact CD2-CD1 4.49Å; L410-F413 HydrophobicContact CD2-CE1 3.48Å; L410-F413 VanDerWaalsContact CD2-CE1 3.48Å; L410-F413 HydrophobicContact CD2-CZ 4.08Å; L410-F413 HydrophobicContact CG-CE1 4.29Å; L410-F413 WeakPolarHBondContact O-CD1 3.04Å; L410-F413 WeakPolarHBondContact O-CE1 3.34Å; L410-F413 VanDerWaalsContact O-CG 3.31Å; L410-F413 WeakPolarHBondContact O-CG 3.42Å; L410-F413 PolarHBondContact O-N 3.21Å; L410-D414 WeakPolarHBondContact O-CB 3.48Å; L410-D414 PolarHBondContact O-N 2.86Å; L410-V425 HydrophobicContact CB-CG1 4.39Å; L410-F427 HydrophobicContact CD1-CB 3.97Å; L410-F427 HydrophobicContact CD1-CD2 3.3Å; L410-F427 HydrophobicContact CD1-CE2 3.95Å; L410-F427 HydrophobicContact CD1-CG 3.76Å
411	A	93	Very high	90	Very high	38 Å²	38	45.6 Å²	45.6	31%	0.314	25%	0.253	S	S	.	.	H	α-helix	trans	-65.7	-31.8	176.8	0	0	0	0	0	112.9	G407 F413 R415	G407-A411 WeakPolarHBondContact O-CB 3.29Å; G407-A411 PolarHBondContact O-N 2.96Å; A411-F413 VanDerWaalsContact C-N 3.28Å; A411-F413 PolarHBondContact O-N 2.99Å; A411-R415 WeakPolarHBondContact O-CG 3.34Å; A411-R415 PolarHBondContact O-N 3.43Å
412	A	87.9	Confident	89.9	Confident	25 Å²	25	49.8 Å²	49.8	21%	0.207	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-38	177.5	0	0	0	0	0	111.6	L288 N408 Y409 L410	L288-A412 HydrophobicContact CD2-CB 4.33Å; N408-A412 WeakPolarHBondContact O-CB 3.21Å; N408-A412 PolarHBondContact O-N 3.32Å; N408-A412 VanDerWaalsContact O-N 3.14Å; Y409-A412 WeakPolarHBondContact O-CB 3.35Å; Y409-A412 PolarHBondContact O-N 2.8Å; L410-A412 VanDerWaalsContact C-N 3.3Å; L410-A412 PolarHBondContact O-N 3.34Å
413	F	85.4	Confident	90	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-84.8	-38.1	176.5	78.8	-113.6	0	0	0	113.3	I285 I379 Y409 L410 A411 R415 Q416 W417 V425	I285-F413 HydrophobicContact CD1-CD1 4.31Å; I379-F413 HydrophobicContact CB-CZ 4.38Å; I379-F413 HydrophobicContact CD1-CE1 4.48Å; I379-F413 HydrophobicContact CD1-CZ 3.82Å; I379-F413 HydrophobicContact CG2-CE2 3.98Å; I379-F413 HydrophobicContact CG2-CZ 3.8Å; Y409-F413 WeakPolarHBondContact O-CD1 3.29Å; Y409-F413 PolarHBondContact O-N 2.94Å; L410-F413 HydrophobicContact CB-CE1 3.93Å; L410-F413 HydrophobicContact CB-CZ 4.38Å; L410-F413 HydrophobicContact CD2-CD1 4.49Å; L410-F413 HydrophobicContact CD2-CE1 3.48Å; L410-F413 VanDerWaalsContact CD2-CE1 3.48Å; L410-F413 HydrophobicContact CD2-CZ 4.08Å; L410-F413 HydrophobicContact CG-CE1 4.29Å; L410-F413 WeakPolarHBondContact O-CD1 3.04Å; L410-F413 WeakPolarHBondContact O-CE1 3.34Å; L410-F413 VanDerWaalsContact O-CG 3.31Å; L410-F413 WeakPolarHBondContact O-CG 3.42Å; L410-F413 PolarHBondContact O-N 3.21Å; A411-F413 VanDerWaalsContact C-N 3.28Å; A411-F413 PolarHBondContact O-N 2.99Å; F413-R415 PolarHBondContact O-N 3.44Å; F413-Q416 PolarHBondContact O-N 3.43Å; F413-W417 HydrophobicContact CB-CD2 3.78Å; F413-W417 HydrophobicContact CB-CE3 4Å; F413-W417 HydrophobicContact CB-CG 4.42Å; F413-W417 HydrophobicContact CB-CH2 3.61Å; F413-W417 HydrophobicContact CB-CZ2 3.35Å; F413-W417 HydrophobicContact CB-CZ3 3.95Å; F413-W417 AromaticContact CD1-CH2 4Å; F413-W417 HydrophobicContact CD1-CH2 4Å; F413-W417 HydrophobicContact CD1-CZ3 4.14Å; F413-W417 AromaticContact CD2-CD2 3.69Å; F413-W417 HydrophobicContact CD2-CD2 3.69Å; F413-W417 AromaticContact CD2-CE3 3.12Å; F413-W417 HydrophobicContact CD2-CE3 3.12Å; F413-W417 HydrophobicContact CD2-CG 4.43Å; F413-W417 AromaticContact CD2-CH2 3.74Å; F413-W417 HydrophobicContact CD2-CH2 3.74Å; F413-W417 HydrophobicContact CD2-CZ2 4.22Å; F413-W417 AromaticContact CD2-CZ3 3.19Å; F413-W417 HydrophobicContact CD2-CZ3 3.19Å; F413-W417 HydrophobicContact CE1-CZ3 4.4Å; F413-W417 AromaticContact CE2-CE3 3.7Å; F413-W417 HydrophobicContact CE2-CE3 3.7Å; F413-W417 HydrophobicContact CE2-CH2 4.36Å; F413-W417 AromaticContact CE2-CZ3 3.57Å; F413-W417 HydrophobicContact CE2-CZ3 3.57Å; F413-W417 HydrophobicContact CG-CD2 4.09Å; F413-W417 AromaticContact CG-CE3 3.78Å; F413-W417 HydrophobicContact CG-CE3 3.78Å; F413-W417 AromaticContact CG-CH2 3.56Å; F413-W417 HydrophobicContact CG-CH2 3.56Å; F413-W417 AromaticContact CG-CZ2 3.86Å; F413-W417 HydrophobicContact CG-CZ2 3.86Å; F413-W417 AromaticContact CG-CZ3 3.54Å; F413-W417 HydrophobicContact CG-CZ3 3.54Å; F413-W417 HydrophobicContact CZ-CZ3 4.2Å; F413-W417 WeakPolarHBondContact O-CB 3.38Å; F413-W417 PolarHBondContact O-N 3.3Å; F413-V425 HydrophobicContact CD2-CG2 4.46Å; F413-V425 HydrophobicContact CE2-CB 3.98Å; F413-V425 HydrophobicContact CE2-CG1 4.43Å; F413-V425 HydrophobicContact CE2-CG2 3.25Å; F413-V425 HydrophobicContact CZ-CB 3.98Å; F413-V425 HydrophobicContact CZ-CG1 3.91Å; F413-V425 HydrophobicContact CZ-CG2 3.52Å
414	D	86.5	Confident	90.1	Very high	40 Å²	40	46.7 Å²	46.7	21%	0.214	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-41.3	-177.1	-175.3	62.4	0	0	0	111.1	L410 Q416 S418 S424 V425	L410-D414 WeakPolarHBondContact O-CB 3.48Å; L410-D414 PolarHBondContact O-N 2.86Å; D414-Q416 VanDerWaalsContact C-N 3.3Å; D414-Q416 PolarHBondContact O-N 3.4Å; D414-S418 WeakPolarHBondContact O-CB 3.2Å; D414-S418 PolarHBondContact O-N 3.3Å; D414-S418 PolarHBondContact O-OG 3.02Å; D414-S418 PolarHBondContact OD1-OG 3.13Å; D414-S418 VanDerWaalsContact OD1-OG 3.1Å; D414-S424 WeakPolarHBondContact OD1-CA 3.48Å; D414-V425 HydrophobicContact CB-CB 4.38Å; D414-V425 PolarHBondContact OD1-N 3.2Å
415	R	84.7	Confident	90.1	Very high	207 Å²	207	44.7 Å²	44.7	78%	0.781	24%	0.24	S	C	*	.	H	α-helix	trans	-61.1	-34.2	176	-70.3	174.7	-175.4	177.9	2.7	114	A411 F413	A411-R415 WeakPolarHBondContact O-CG 3.34Å; A411-R415 PolarHBondContact O-N 3.43Å; F413-R415 PolarHBondContact O-N 3.44Å
416	Q	81.1	Confident	90.2	Very high	75 Å²	75	51.8 Å²	51.8	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-90.1	-40.4	-177.8	-174.3	168.3	-33.1	0	0	111.6	P284 F413 D414	P284-Q416 HydrophobicContact CG-CB 4.24Å; P284-Q416 HydrophobicContact CG-CG 4.4Å; F413-Q416 PolarHBondContact O-N 3.43Å; D414-Q416 VanDerWaalsContact C-N 3.3Å; D414-Q416 PolarHBondContact O-N 3.4Å
417	W	85.1	Confident	90.2	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-87.6	-22.9	-172.7	-59.6	-7.5	0	0	0	113.5	L281 I379 A380 L383 F413 S419 E420 Y421 V423	L281-W417 VanDerWaalsContact C-CZ2 3.44Å; L281-W417 HydrophobicContact CB-CH2 3.87Å; L281-W417 HydrophobicContact CB-CZ2 3.38Å; L281-W417 HydrophobicContact CD2-CD2 3.52Å; L281-W417 HydrophobicContact CD2-CE3 4.05Å; L281-W417 HydrophobicContact CD2-CG 3.93Å; L281-W417 HydrophobicContact CD2-CH2 4.39Å; L281-W417 HydrophobicContact CD2-CZ2 3.89Å; L281-W417 HydrophobicContact CD2-CZ3 4.43Å; L281-W417 HydrophobicContact CG-CZ2 4.14Å; L281-W417 WeakPolarHBondContact O-CZ2 3.5Å; L281-W417 PolarHBondContact O-NE1 3.41Å; I379-W417 HydrophobicContact CG2-CZ3 4.26Å; A380-W417 HydrophobicContact CB-CH2 4.02Å; A380-W417 HydrophobicContact CB-CZ3 4.48Å; L383-W417 HydrophobicContact CD2-CD2 4.07Å; L383-W417 HydrophobicContact CD2-CE3 3.43Å; L383-W417 VanDerWaalsContact CD2-CE3 3.43Å; L383-W417 HydrophobicContact CD2-CZ3 4.04Å; F413-W417 HydrophobicContact CB-CD2 3.78Å; F413-W417 HydrophobicContact CB-CE3 4Å; F413-W417 HydrophobicContact CB-CG 4.42Å; F413-W417 HydrophobicContact CB-CH2 3.61Å; F413-W417 HydrophobicContact CB-CZ2 3.35Å; F413-W417 HydrophobicContact CB-CZ3 3.95Å; F413-W417 AromaticContact CD1-CH2 4Å; F413-W417 HydrophobicContact CD1-CH2 4Å; F413-W417 HydrophobicContact CD1-CZ3 4.14Å; F413-W417 AromaticContact CD2-CD2 3.69Å; F413-W417 HydrophobicContact CD2-CD2 3.69Å; F413-W417 AromaticContact CD2-CE3 3.12Å; F413-W417 HydrophobicContact CD2-CE3 3.12Å; F413-W417 HydrophobicContact CD2-CG 4.43Å; F413-W417 AromaticContact CD2-CH2 3.74Å; F413-W417 HydrophobicContact CD2-CH2 3.74Å; F413-W417 HydrophobicContact CD2-CZ2 4.22Å; F413-W417 AromaticContact CD2-CZ3 3.19Å; F413-W417 HydrophobicContact CD2-CZ3 3.19Å; F413-W417 HydrophobicContact CE1-CZ3 4.4Å; F413-W417 AromaticContact CE2-CE3 3.7Å; F413-W417 HydrophobicContact CE2-CE3 3.7Å; F413-W417 HydrophobicContact CE2-CH2 4.36Å; F413-W417 AromaticContact CE2-CZ3 3.57Å; F413-W417 HydrophobicContact CE2-CZ3 3.57Å; F413-W417 HydrophobicContact CG-CD2 4.09Å; F413-W417 AromaticContact CG-CE3 3.78Å; F413-W417 HydrophobicContact CG-CE3 3.78Å; F413-W417 AromaticContact CG-CH2 3.56Å; F413-W417 HydrophobicContact CG-CH2 3.56Å; F413-W417 AromaticContact CG-CZ2 3.86Å; F413-W417 HydrophobicContact CG-CZ2 3.86Å; F413-W417 AromaticContact CG-CZ3 3.54Å; F413-W417 HydrophobicContact CG-CZ3 3.54Å; F413-W417 HydrophobicContact CZ-CZ3 4.2Å; F413-W417 WeakPolarHBondContact O-CB 3.38Å; F413-W417 PolarHBondContact O-N 3.3Å; W417-S419 VanDerWaalsContact C-N 3.27Å; W417-S419 PolarHBondContact O-N 2.93Å; W417-E420 PolarHBondContact O-N 3.06Å; W417-Y421 HydrophobicContact CB-CD2 3.7Å; W417-Y421 AromaticContact CG-CD2 3.89Å; W417-Y421 HydrophobicContact CG-CD2 3.89Å; W417-Y421 HydrophobicContact CG-CE2 4.3Å; W417-Y421 WeakPolarHBondContact O-CA 3.1Å; W417-Y421 WeakPolarHBondContact O-CB 3.49Å; W417-Y421 PolarHBondContact O-N 3.38Å; W417-V423 HydrophobicContact CB-CG1 3.57Å
418	S	86.4	Confident	90.3	Very high	39 Å²	39	59.8 Å²	59.8	27%	0.273	29%	0.294	S	S	.	.	H	α-helix	trans	-56.6	-43.2	-176.7	-74	0	0	0	0	112.7	D414 Q422 V423	D414-S418 WeakPolarHBondContact O-CB 3.2Å; D414-S418 PolarHBondContact O-N 3.3Å; D414-S418 PolarHBondContact O-OG 3.02Å; D414-S418 PolarHBondContact OD1-OG 3.13Å; D414-S418 VanDerWaalsContact OD1-OG 3.1Å; S418-Q422 PolarHBondContact O-N 3.24Å; S418-V423 VanDerWaalsContact CA-O 3.26Å; S418-V423 WeakPolarHBondContact CA-O 3.31Å; S418-V423 WeakPolarHBondContact CB-O 3.44Å; S418-V423 PolarHBondContact OG-O 3.21Å; S418-V423 VanDerWaalsContact OG-O 3.04Å
419	S	81.8	Confident	90.3	Very high	107 Å²	107	57.8 Å²	57.8	75%	0.748	29%	0.288	S	S	*	.	H	α-helix	trans	-75.2	-38.6	179.5	53	0	0	0	0	112.8	W417	W417-S419 VanDerWaalsContact C-N 3.27Å; W417-S419 PolarHBondContact O-N 2.93Å
420	E	86.4	Confident	90.3	Very high	113 Å²	113	59.6 Å²	59.6	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-84.1	-36.6	-173.2	-170.7	179.6	165.2	0	0	112.9	W417	W417-E420 PolarHBondContact O-N 3.06Å
421	Y	89.9	Confident	90.1	Very high	17 Å²	17	65.1 Å²	65.1	7%	0.067	32%	0.322	C	S	.	.	H	α-helix	trans	-119.8	11.2	-168.3	-58.9	-74.3	0	0	0	113.9	R277 L281 L383 R387 W417 V423	R277-Y421 PolarHBondContact NH1-OH 3.36Å; L281-Y421 HydrophobicContact CD2-CD2 4.03Å; L281-Y421 HydrophobicContact CD2-CE2 3.72Å; L383-Y421 HydrophobicContact CD2-CG 4.27Å; R387-Y421 HydrophobicContact CB-CD1 4.48Å; R387-Y421 HydrophobicContact CG-CD1 3.96Å; R387-Y421 PolarHBondContact NE-O 3.15Å; R387-Y421 PolarHBondContact NH2-O 2.96Å; W417-Y421 HydrophobicContact CB-CD2 3.7Å; W417-Y421 AromaticContact CG-CD2 3.89Å; W417-Y421 HydrophobicContact CG-CD2 3.89Å; W417-Y421 HydrophobicContact CG-CE2 4.3Å; W417-Y421 WeakPolarHBondContact O-CA 3.1Å; W417-Y421 WeakPolarHBondContact O-CB 3.49Å; W417-Y421 PolarHBondContact O-N 3.38Å; Y421-V423 PolarHBondContact O-N 3.11Å
422	Q	91.2	Very high	90	Very high	104 Å²	104	63.9 Å²	63.9	49%	0.486	31%	0.31	S	S	.	.			trans	47.7	48.4	-179.1	-56.3	-171.6	17	0	0	112.5	T392 R394 I395 S418	T392-Q422 PolarHBondContact O-OE1 2.86Å; T392-Q422 VanDerWaalsContact O-OE1 3.1Å; R394-Q422 VanDerWaalsContact CA-O 3.3Å; R394-Q422 WeakPolarHBondContact CA-O 3.29Å; R394-Q422 HydrophobicContact CB-CB 4.44Å; R394-Q422 HydrophobicContact CG-CB 4.5Å; R394-Q422 WeakPolarHBondContact CG-O 3.31Å; I395-Q422 PolarHBondContact N-O 3.3Å; S418-Q422 PolarHBondContact O-N 3.24Å
423	V	94.3	Very high	90.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	154.6	178	65.9	0	0	0	0	109.5	L383 I395 Y397 W417 S418 Y421 V425	L383-V423 HydrophobicContact CD1-CB 4.25Å; L383-V423 HydrophobicContact CD2-CB 4.4Å; L383-V423 HydrophobicContact CD2-CG1 4.1Å; I395-V423 CarbonylContact O-C 3.51Å; I395-V423 VanDerWaalsContact O-CA 3.22Å; I395-V423 WeakPolarHBondContact O-CA 3.36Å; Y397-V423 HydrophobicContact CD2-CG2 4.1Å; Y397-V423 HydrophobicContact CE2-CG2 4.4Å; W417-V423 HydrophobicContact CB-CG1 3.57Å; S418-V423 VanDerWaalsContact CA-O 3.26Å; S418-V423 WeakPolarHBondContact CA-O 3.31Å; S418-V423 WeakPolarHBondContact CB-O 3.44Å; S418-V423 PolarHBondContact OG-O 3.21Å; S418-V423 VanDerWaalsContact OG-O 3.04Å; Y421-V423 PolarHBondContact O-N 3.11Å; V423-V425 HydrophobicContact CG2-CG2 4.2Å
424	S	95.2	Very high	90.5	Very high	14 Å²	14	67.4 Å²	67.4	10%	0.098	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132.5	168.9	-56	0	0	0	0	109.4	R394 I395 V396 Y397 D414	R394-S424 PolarHBondContact NH2-OG 3.41Å; I395-S424 PolarHBondContact O-N 2.87Å; V396-S424 CarbonylContact C-O 3.59Å; V396-S424 WeakPolarHBondContact CA-O 3.39Å; Y397-S424 PolarHBondContact N-O 3.13Å; D414-S424 WeakPolarHBondContact OD1-CA 3.48Å
425	V	95.5	Very high	90.7	Very high	18 Å²	18	71.9 Å²	71.9	11%	0.109	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117	-174.9	-176.4	0	0	0	0	111.6	I379 Y397 A399 L410 F413 D414 V423	I379-V425 HydrophobicContact CD1-CG1 4.01Å; I379-V425 HydrophobicContact CD1-CG2 4.42Å; I379-V425 HydrophobicContact CG2-CG2 4.43Å; Y397-V425 HydrophobicContact CD2-CG2 4.39Å; A399-V425 HydrophobicContact CB-CG1 3.94Å; L410-V425 HydrophobicContact CB-CG1 4.39Å; F413-V425 HydrophobicContact CD2-CG2 4.46Å; F413-V425 HydrophobicContact CE2-CB 3.98Å; F413-V425 HydrophobicContact CE2-CG1 4.43Å; F413-V425 HydrophobicContact CE2-CG2 3.25Å; F413-V425 HydrophobicContact CZ-CB 3.98Å; F413-V425 HydrophobicContact CZ-CG1 3.91Å; F413-V425 HydrophobicContact CZ-CG2 3.52Å; D414-V425 HydrophobicContact CB-CB 4.38Å; D414-V425 PolarHBondContact OD1-N 3.2Å; V423-V425 HydrophobicContact CG2-CG2 4.2Å
426	W	96	Very high	91.2	Very high	163 Å²	163	67 Å²	67	62%	0.617	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.6	-178.2	-64.5	60.4	0	0	0	107.6	Y397 F398 A399	Y397-W426 PolarHBondContact O-N 3.46Å; F398-W426 CarbonylContact C-O 3.53Å; F398-W426 HydrophobicContact CD1-CB 4.18Å; A399-W426 PolarHBondContact N-O 2.83Å
427	F	96.6	Very high	91.8	Very high	61 Å²	61	64.8 Å²	64.8	27%	0.268	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.7	-177.1	178.4	-112.3	0	0	0	111.7	V373 A399 D401 A404 W406 L410	V373-F427 HydrophobicContact CG1-CE2 4.36Å; A399-F427 HydrophobicContact CB-CD2 4.15Å; A399-F427 CarbonylContact O-C 3.47Å; A399-F427 WeakPolarHBondContact O-CA 3.2Å; A399-F427 WeakPolarHBondContact O-CD2 3.3Å; D401-F427 HydrophobicContact CB-CE2 3.83Å; D401-F427 HydrophobicContact CB-CZ 4.22Å; A404-F427 WeakPolarHBondContact O-CE1 3.49Å; W406-F427 HydrophobicContact CB-CZ 4.34Å; L410-F427 HydrophobicContact CD1-CB 3.97Å; L410-F427 HydrophobicContact CD1-CD2 3.3Å; L410-F427 HydrophobicContact CD1-CE2 3.95Å; L410-F427 HydrophobicContact CD1-CG 3.76Å
428	K	96.1	Very high	92.3	Very high	123 Å²	123	64.9 Å²	64.9	54%	0.535	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.5	171.8	-174.8	179.7	179.5	-174.9	0	109.7	A399 I400 D401 S430	A399-K428 PolarHBondContact O-N 3.12Å; I400-K428 WeakPolarHBondContact CA-O 3.46Å; D401-K428 PolarHBondContact N-O 3.13Å; K428-S430 PolarHBondContact O-N 3.43Å
429	S	95	Very high	92.5	Very high	60 Å²	60	69 Å²	69	42%	0.42	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	108.1	170.8	-164	0	0	0	0	109.4	D401 Q402 A404	D401-S429 CarbonylContact O-C 3.16Å; D401-S429 WeakPolarHBondContact O-CA 3.45Å; Q402-S429 PolarHBondContact O-OG 2.73Å; A404-S429 WeakPolarHBondContact CA-OG 3.4Å; A404-S429 WeakPolarHBondContact CB-OG 2.83Å; A404-S429 PolarHBondContact N-OG 2.87Å
430	S	93.3	Very high	93.1	Very high	43 Å²	43	68.4 Å²	68.4	30%	0.301	33%	0.327	S	S	.	.			trans	-161.2	150.1	179.4	-171.9	0	0	0	0	110.4	D401 Q402 K428	D401-S430 CarbonylContact C-O 3.58Å; D401-S430 PolarHBondContact O-N 3.45Å; Q402-S430 WeakPolarHBondContact CA-O 3.43Å; Q402-S430 PolarHBondContact N-O 3.02Å; K428-S430 PolarHBondContact O-N 3.43Å
431	R	90.2	Very high	93.6	Very high	120 Å²	120	63.3 Å²	63.3	45%	0.453	30%	0.303	S	S	.	.			trans	-98.9	118.1	175.5	-170.9	-178.5	169.2	-168.9	-8	108.6	Q402 N433	Q402-R431 HydrophobicContact CB-CB 4.14Å; Q402-R431 HydrophobicContact CB-CG 4.4Å; R431-N433 VanDerWaalsContact CD-ND2 3.25Å; R431-N433 WeakPolarHBondContact CD-ND2 3.06Å; R431-N433 VanDerWaalsContact CG-ND2 3.33Å; R431-N433 WeakPolarHBondContact CG-ND2 3.4Å; R431-N433 PolarHBondContact NE-ND2 3.39Å; R431-N433 PolarHBondContact NE-OD1 3.21Å; R431-N433 VanDerWaalsContact NE-OD1 3.16Å
432	F	91.9	Very high	93.8	Very high	11 Å²	11	64.7 Å²	64.7	5%	0.048	31%	0.314	C	S	.	.			trans	-96.6	114.9	179.1	-176.8	-91.5	0	0	0	110	I371 D437 V438 L441 F449 M457 I461 L465	I371-F432 HydrophobicContact CD1-CB 4.47Å; I371-F432 HydrophobicContact CD1-CD1 3.72Å; I371-F432 HydrophobicContact CD1-CD2 3.97Å; I371-F432 HydrophobicContact CD1-CE1 3.79Å; I371-F432 HydrophobicContact CD1-CE2 4.09Å; I371-F432 HydrophobicContact CD1-CG 3.8Å; I371-F432 HydrophobicContact CD1-CZ 3.99Å; I371-F432 HydrophobicContact CG2-CB 3.96Å; I371-F432 HydrophobicContact CG2-CD1 4.16Å; I371-F432 HydrophobicContact CG2-CG 4.24Å; F432-D437 HydrophobicContact CD2-CB 3.48Å; F432-D437 VanDerWaalsContact CD2-CB 3.48Å; F432-D437 HydrophobicContact CE2-CB 3.68Å; F432-D437 HydrophobicContact CG-CB 4.23Å; F432-V438 HydrophobicContact CE2-CG2 4.33Å; F432-V438 HydrophobicContact CZ-CG2 3.8Å; F432-L441 HydrophobicContact CD2-CD2 4.2Å; F432-L441 HydrophobicContact CE2-CD1 3.57Å; F432-L441 HydrophobicContact CE2-CD2 3.95Å; F432-L441 HydrophobicContact CE2-CG 3.8Å; F432-L441 HydrophobicContact CZ-CD1 3.88Å; F432-F449 AromaticContact CD1-CE1 3.99Å; F432-F449 HydrophobicContact CD1-CE1 3.99Å; F432-F449 HydrophobicContact CD1-CZ 4.48Å; F432-F449 AromaticContact CE1-CE1 3.82Å; F432-F449 HydrophobicContact CE1-CE1 3.82Å; F432-F449 AromaticContact CE1-CZ 3.88Å; F432-F449 HydrophobicContact CE1-CZ 3.88Å; F432-M457 HydrophobicContact CD1-CE 4.22Å; F432-M457 HydrophobicContact CD1-SD 4.08Å; F432-M457 HydrophobicContact CE1-SD 4.49Å; F432-M457 WeakPolarHBondContact O-CE 3.19Å; F432-I461 HydrophobicContact CE1-CD1 3.9Å; F432-L465 HydrophobicContact CZ-CD2 4.35Å
433	N	90.5	Very high	94	Very high	35 Å²	35	65 Å²	65	19%	0.187	32%	0.32	C	S	.	.			trans	-143.3	-23	-179.6	-52.3	-53.9	0	0	0	115.4	R431 D437 A458	R431-N433 VanDerWaalsContact CD-ND2 3.25Å; R431-N433 WeakPolarHBondContact CD-ND2 3.06Å; R431-N433 VanDerWaalsContact CG-ND2 3.33Å; R431-N433 WeakPolarHBondContact CG-ND2 3.4Å; R431-N433 PolarHBondContact NE-ND2 3.39Å; R431-N433 PolarHBondContact NE-OD1 3.21Å; R431-N433 VanDerWaalsContact NE-OD1 3.16Å; N433-D437 PolarHBondContact N-OD2 2.75Å; N433-A458 WeakPolarHBondContact O-CB 3.21Å; N433-A458 PolarHBondContact O-N 3.16Å
434	N	91.9	Very high	94.1	Very high	65 Å²	65	65.7 Å²	65.7	35%	0.348	33%	0.325	S	S	.	.	S	Bend	trans	-127.7	178.3	-165.1	68.4	42.5	0	0	0	112.8	D436 D437 V438 I461	N434-D436 WeakPolarHBondContact OD1-CB 3.42Å; N434-D436 PolarHBondContact OD1-N 3.07Å; N434-D437 VanDerWaalsContact CG-OD2 3.27Å; N434-D437 PolarHBondContact N-OD2 2.84Å; N434-D437 PolarHBondContact ND2-OD2 3.47Å; N434-D437 WeakPolarHBondContact O-CB 3.32Å; N434-D437 PolarHBondContact O-N 3.05Å; N434-D437 VanDerWaalsContact OD1-CG 3.22Å; N434-D437 PolarHBondContact OD1-N 3.09Å; N434-D437 PolarHBondContact OD1-OD2 3.5Å; N434-V438 PolarHBondContact O-N 3.44Å; N434-I461 WeakPolarHBondContact O-CG2 3.41Å
435	R	92.3	Very high	94.1	Very high	133 Å²	133	66.9 Å²	66.9	50%	0.502	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-44.4	179.9	171.9	169.3	-176.9	136.8	2.7	112.5	D437 V438 E439 L464	R435-D437 PolarHBondContact O-N 3.16Å; R435-V438 VanDerWaalsContact O-CB 3.28Å; R435-V438 WeakPolarHBondContact O-CB 3.36Å; R435-V438 PolarHBondContact O-N 3.4Å; R435-E439 IonicContact NE-OE1 3.43Å; R435-E439 PolarHBondContact O-N 3.14Å; R435-L464 HydrophobicContact CB-CD1 4.21Å; R435-L464 HydrophobicContact CG-CD1 3.61Å
436	D	94	Very high	94.2	Very high	105 Å²	105	66.1 Å²	66.1	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-61.8	-35.9	-178.2	-53.9	-16.5	0	0	0	110.5	N434 V438 E439 T440	N434-D436 WeakPolarHBondContact OD1-CB 3.42Å; N434-D436 PolarHBondContact OD1-N 3.07Å; D436-V438 VanDerWaalsContact C-N 3.29Å; D436-V438 PolarHBondContact O-N 3.19Å; D436-E439 PolarHBondContact O-N 3.13Å; D436-E439 VanDerWaalsContact O-N 3.16Å; D436-T440 WeakPolarHBondContact O-CG2 3.47Å; D436-T440 PolarHBondContact O-N 3.05Å
437	D	94.3	Very high	94.3	Very high	28 Å²	28	58.3 Å²	58.3	15%	0.15	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-38.2	175.4	-57.7	-42.6	0	0	0	111.6	F432 N433 N434 R435 E439 T440 L441	F432-D437 HydrophobicContact CD2-CB 3.48Å; F432-D437 VanDerWaalsContact CD2-CB 3.48Å; F432-D437 HydrophobicContact CE2-CB 3.68Å; F432-D437 HydrophobicContact CG-CB 4.23Å; N433-D437 PolarHBondContact N-OD2 2.75Å; N434-D437 VanDerWaalsContact CG-OD2 3.27Å; N434-D437 PolarHBondContact N-OD2 2.84Å; N434-D437 PolarHBondContact ND2-OD2 3.47Å; N434-D437 WeakPolarHBondContact O-CB 3.32Å; N434-D437 PolarHBondContact O-N 3.05Å; N434-D437 VanDerWaalsContact OD1-CG 3.22Å; N434-D437 PolarHBondContact OD1-N 3.09Å; N434-D437 PolarHBondContact OD1-OD2 3.5Å; R435-D437 PolarHBondContact O-N 3.16Å; D437-E439 VanDerWaalsContact C-N 3.29Å; D437-E439 PolarHBondContact O-N 3.19Å; D437-T440 PolarHBondContact O-N 3Å; D437-T440 PolarHBondContact O-OG1 2.93Å; D437-L441 PolarHBondContact O-N 3.28Å
438	V	94.7	Very high	94.3	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-41.7	176.6	-179.5	0	0	0	0	110.4	F432 N434 R435 D436 T440 L441 I461 L464 L465 R468	F432-V438 HydrophobicContact CE2-CG2 4.33Å; F432-V438 HydrophobicContact CZ-CG2 3.8Å; N434-V438 PolarHBondContact O-N 3.44Å; R435-V438 VanDerWaalsContact O-CB 3.28Å; R435-V438 WeakPolarHBondContact O-CB 3.36Å; R435-V438 PolarHBondContact O-N 3.4Å; D436-V438 VanDerWaalsContact C-N 3.29Å; D436-V438 PolarHBondContact O-N 3.19Å; V438-T440 VanDerWaalsContact C-N 3.26Å; V438-T440 PolarHBondContact O-N 3.4Å; V438-L441 WeakPolarHBondContact O-CB 3.45Å; V438-L441 PolarHBondContact O-N 3.27Å; V438-I461 HydrophobicContact CG2-CB 3.8Å; V438-I461 HydrophobicContact CG2-CG2 3.87Å; V438-L464 HydrophobicContact CG1-CB 4.01Å; V438-L465 HydrophobicContact CG1-CD2 3.92Å; V438-L465 HydrophobicContact CG1-CG 4.4Å; V438-L465 HydrophobicContact CG2-CD2 4.29Å; V438-L465 HydrophobicContact CG2-CG 4.37Å; V438-R468 PolarHBondContact O-NH1 2.75Å
439	E	91.8	Very high	94.2	Very high	125 Å²	125	49.6 Å²	49.6	58%	0.584	26%	0.258	S	S	*	.	H	α-helix	trans	-66	-29.8	-179.2	-63.8	179.5	-177.5	0	0	112	R435 D436 D437 L441	R435-E439 IonicContact NE-OE1 3.43Å; R435-E439 PolarHBondContact O-N 3.14Å; D436-E439 PolarHBondContact O-N 3.13Å; D436-E439 VanDerWaalsContact O-N 3.16Å; D437-E439 VanDerWaalsContact C-N 3.29Å; D437-E439 PolarHBondContact O-N 3.19Å; E439-L441 VanDerWaalsContact C-N 3.31Å; E439-L441 PolarHBondContact O-N 3.24Å
440	T	93.9	Very high	94	Very high	95 Å²	95	46.9 Å²	46.9	58%	0.583	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.1	178.2	71.5	0	0	0	0	114.6	D436 D437 V438	D436-T440 WeakPolarHBondContact O-CG2 3.47Å; D436-T440 PolarHBondContact O-N 3.05Å; D437-T440 PolarHBondContact O-N 3Å; D437-T440 PolarHBondContact O-OG1 2.93Å; V438-T440 VanDerWaalsContact C-N 3.26Å; V438-T440 PolarHBondContact O-N 3.4Å
441	L	96.1	Very high	93.5	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-71.3	140.9	-179.1	-66.3	-179.8	0	0	0	111.5	I369 I371 I400 F432 D437 V438 E439 I447 L465 R468 Y469	I369-L441 HydrophobicContact CD1-CB 4.13Å; I369-L441 HydrophobicContact CD1-CD1 4.44Å; I369-L441 HydrophobicContact CG2-CD2 4.3Å; I371-L441 HydrophobicContact CD1-CD1 4.48Å; I400-L441 HydrophobicContact CD1-CD2 3.59Å; F432-L441 HydrophobicContact CD2-CD2 4.2Å; F432-L441 HydrophobicContact CE2-CD1 3.57Å; F432-L441 HydrophobicContact CE2-CD2 3.95Å; F432-L441 HydrophobicContact CE2-CG 3.8Å; F432-L441 HydrophobicContact CZ-CD1 3.88Å; D437-L441 PolarHBondContact O-N 3.28Å; V438-L441 WeakPolarHBondContact O-CB 3.45Å; V438-L441 PolarHBondContact O-N 3.27Å; E439-L441 VanDerWaalsContact C-N 3.31Å; E439-L441 PolarHBondContact O-N 3.24Å; L441-I447 HydrophobicContact CD1-CD1 4.08Å; L441-L465 HydrophobicContact CD1-CD2 3.95Å; L441-R468 PolarHBondContact O-NH1 3.45Å; L441-R468 PolarHBondContact O-NH2 3.38Å; L441-Y469 WeakPolarHBondContact CB-OH 3.45Å; L441-Y469 HydrophobicContact CD1-CE2 4.05Å
442	P	94.9	Very high	93	Very high	46 Å²	46	41.3 Å²	41.3	30%	0.299	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-70.2	167.8	175.8	31.6	-35.2	0	0	0	111.5	I369 F398 A444 Y469	I369-P442 HydrophobicContact CD1-CG 4.07Å; I369-P442 WeakPolarHBondContact CD1-O 3.37Å; I369-P442 HydrophobicContact CG1-CG 4.18Å; F398-P442 HydrophobicContact CB-CG 4.2Å; F398-P442 HydrophobicContact CD1-CG 4.14Å; F398-P442 HydrophobicContact CD2-CB 4.45Å; F398-P442 HydrophobicContact CD2-CG 3.65Å; F398-P442 HydrophobicContact CE1-CG 4.44Å; F398-P442 HydrophobicContact CE2-CB 4.29Å; F398-P442 HydrophobicContact CE2-CG 3.98Å; F398-P442 HydrophobicContact CG-CG 3.73Å; F398-P442 HydrophobicContact CZ-CB 4.42Å; F398-P442 HydrophobicContact CZ-CG 4.36Å; P442-A444 PolarHBondContact O-N 2.79Å; P442-Y469 PolarHBondContact O-OH 2.91Å
443	D	95.2	Very high	92.4	Very high	111 Å²	111	42.5 Å²	42.5	59%	0.594	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-68.7	131.7	168.5	-63.7	-24.9	0	0	0	110.3	R468	D443-R468 IonicContact OD1-NH2 3.6Å
444	A	96.5	Very high	92.1	Very high	13 Å²	13	40.9 Å²	40.9	11%	0.107	21%	0.212	C	C	.	.			trans	-148.2	158	-178.6	0	0	0	0	0	110.6	R367 I369 P442 Y469	R367-A444 HydrophobicContact CB-CB 4.25Å; I369-A444 HydrophobicContact CD1-CB 3.61Å; I369-A444 HydrophobicContact CG1-CB 3.65Å; P442-A444 PolarHBondContact O-N 2.79Å; A444-Y469 HydrophobicContact CB-CD1 4.25Å; A444-Y469 HydrophobicContact CB-CE1 3.88Å; A444-Y469 WeakPolarHBondContact O-CD1 3.34Å
445	D	96	Very high	91.4	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.214	21%	0.212	C	C	.	.	S	Bend	trans	-88.3	-25	-179	-48.1	-55.3	0	0	0	110.9	Y360 V365 S366 R367	Y360-D445 WeakPolarHBondContact CE1-O 3.41Å; Y360-D445 PolarHBondContact OH-O 2.88Å; V365-D445 HydrophobicContact CB-CB 4.29Å; V365-D445 HydrophobicContact CG1-CB 4.39Å; V365-D445 HydrophobicContact CG2-CB 4Å; S366-D445 PolarHBondContact N-OD2 3.42Å; R367-D445 PolarHBondContact N-OD2 2.77Å; R367-D445 PolarHBondContact O-N 2.77Å
446	M	96.9	Very high	90.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.2	-176	176.3	176.7	173.2	0	0	110.6	F342 L361 V365 R367 I368 I369 V448 F471 I473	F342-M446 HydrophobicContact CE2-CE 4.44Å; F342-M446 HydrophobicContact CZ-CE 3.92Å; L361-M446 HydrophobicContact CD2-SD 3.81Å; V365-M446 HydrophobicContact CG1-CB 4.24Å; V365-M446 HydrophobicContact CG2-CB 4.4Å; R367-M446 PolarHBondContact O-N 3.37Å; I368-M446 CarbonylContact C-O 3.56Å; I368-M446 VanDerWaalsContact CA-O 3.3Å; I368-M446 WeakPolarHBondContact CA-O 2.99Å; I368-M446 HydrophobicContact CD1-SD 4.49Å; I368-M446 HydrophobicContact CG1-CB 4.31Å; I368-M446 HydrophobicContact CG2-CB 4.35Å; I368-M446 HydrophobicContact CG2-CG 4.25Å; I369-M446 PolarHBondContact N-O 2.81Å; M446-V448 HydrophobicContact CE-CG2 3.34Å; M446-V448 HydrophobicContact CG-CG2 4.26Å; M446-V448 HydrophobicContact SD-CG2 4.46Å; M446-F471 CarbonylContact C-O 3.46Å; M446-F471 VanDerWaalsContact CA-O 3.3Å; M446-F471 WeakPolarHBondContact CA-O 3.31Å; M446-F471 HydrophobicContact CB-CD1 4.44Å; M446-F471 HydrophobicContact CE-CD1 4.11Å; M446-F471 HydrophobicContact CE-CE1 3.87Å; M446-F471 HydrophobicContact CG-CB 4.48Å; M446-F471 HydrophobicContact CG-CD1 3.82Å; M446-F471 HydrophobicContact CG-CG 4.43Å; M446-F471 HydrophobicContact SD-CD1 3.69Å; M446-F471 HydrophobicContact SD-CE1 3.94Å; M446-I473 HydrophobicContact CE-CD1 3.36Å; M446-I473 HydrophobicContact CE-CG1 4.03Å
447	I	97.4	Very high	90.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.9	171.7	-176.4	170.5	0	0	0	110	I369 I371 L441 F449 L465 Y469 F471 I472 I473	I369-I447 HydrophobicContact CB-CB 4.33Å; I369-I447 HydrophobicContact CB-CD1 4.43Å; I369-I447 HydrophobicContact CB-CG1 4.02Å; I369-I447 HydrophobicContact CG2-CD1 4.2Å; I369-I447 HydrophobicContact CG2-CG1 4.1Å; I369-I447 CarbonylContact O-C 3.59Å; I369-I447 VanDerWaalsContact O-CA 3.32Å; I369-I447 WeakPolarHBondContact O-CA 3.2Å; I371-I447 HydrophobicContact CD1-CD1 3.82Å; I371-I447 HydrophobicContact CD1-CG1 4.42Å; L441-I447 HydrophobicContact CD1-CD1 4.08Å; I447-F449 HydrophobicContact CD1-CE2 3.81Å; I447-F449 HydrophobicContact CD1-CZ 4.06Å; I447-F449 HydrophobicContact CG1-CD2 4.43Å; I447-F449 HydrophobicContact CG1-CE2 3.96Å; I447-L465 HydrophobicContact CD1-CD2 3.93Å; I447-Y469 HydrophobicContact CD1-CD2 4.4Å; I447-Y469 HydrophobicContact CD1-CE2 4.34Å; I447-Y469 HydrophobicContact CG2-CD2 4.18Å; I447-Y469 HydrophobicContact CG2-CG 4.12Å; I447-F471 PolarHBondContact N-O 3.26Å; I447-I472 HydrophobicContact CG2-CB 3.79Å; I447-I472 HydrophobicContact CG2-CD1 4.42Å; I447-I472 HydrophobicContact CG2-CG1 3.57Å; I447-I472 HydrophobicContact CG2-CG2 3.63Å; I447-I472 CarbonylContact O-C 3.56Å; I447-I472 WeakPolarHBondContact O-CA 3.38Å; I447-I473 PolarHBondContact O-N 3.29Å
448	V	97.1	Very high	90.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.6	179.8	-176	0	0	0	0	109	F342 I368 I369 S370 I371 D378 M446 I473	F342-V448 HydrophobicContact CD2-CG1 4.3Å; F342-V448 HydrophobicContact CE2-CG1 3.78Å; F342-V448 HydrophobicContact CE2-CG2 4.11Å; F342-V448 HydrophobicContact CZ-CG2 4.45Å; I368-V448 HydrophobicContact CG2-CG2 4.24Å; I369-V448 PolarHBondContact O-N 2.83Å; S370-V448 CarbonylContact C-O 3.57Å; S370-V448 WeakPolarHBondContact CA-O 3.43Å; I371-V448 PolarHBondContact N-O 3.36Å; D378-V448 HydrophobicContact CB-CG1 4.05Å; M446-V448 HydrophobicContact CE-CG2 3.34Å; M446-V448 HydrophobicContact CG-CG2 4.26Å; M446-V448 HydrophobicContact SD-CG2 4.46Å; V448-I473 CarbonylContact C-O 3.56Å; V448-I473 WeakPolarHBondContact CA-O 3.44Å
449	F	94.3	Very high	89.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	99.5	164.8	-67.7	-100	0	0	0	107.7	I371 F432 I447 F451 A452 T454 M457 W462 L465 I472 I473 V474 L475	I371-F449 HydrophobicContact CB-CD1 3.95Å; I371-F449 HydrophobicContact CB-CE1 4.09Å; I371-F449 HydrophobicContact CD1-CD1 4.45Å; I371-F449 HydrophobicContact CD1-CE1 3.76Å; I371-F449 HydrophobicContact CD1-CZ 3.8Å; I371-F449 HydrophobicContact CG1-CE1 4.48Å; I371-F449 HydrophobicContact CG2-CD1 3.95Å; I371-F449 HydrophobicContact CG2-CE1 3.98Å; I371-F449 CarbonylContact O-C 3.5Å; I371-F449 WeakPolarHBondContact O-CA 3.3Å; F432-F449 AromaticContact CD1-CE1 3.99Å; F432-F449 HydrophobicContact CD1-CE1 3.99Å; F432-F449 HydrophobicContact CD1-CZ 4.48Å; F432-F449 AromaticContact CE1-CE1 3.82Å; F432-F449 HydrophobicContact CE1-CE1 3.82Å; F432-F449 AromaticContact CE1-CZ 3.88Å; F432-F449 HydrophobicContact CE1-CZ 3.88Å; I447-F449 HydrophobicContact CD1-CE2 3.81Å; I447-F449 HydrophobicContact CD1-CZ 4.06Å; I447-F449 HydrophobicContact CG1-CD2 4.43Å; I447-F449 HydrophobicContact CG1-CE2 3.96Å; F449-F451 PolarHBondContact O-N 3Å; F449-A452 HydrophobicContact CB-CB 4.24Å; F449-A452 HydrophobicContact CD1-CB 4.37Å; F449-T454 HydrophobicContact CB-CG2 4.36Å; F449-T454 HydrophobicContact CD1-CG2 4.23Å; F449-M457 HydrophobicContact CD1-CE 3.91Å; F449-M457 HydrophobicContact CD1-SD 3.96Å; F449-M457 HydrophobicContact CE1-CE 3.93Å; F449-M457 HydrophobicContact CE1-SD 3.61Å; F449-W462 HydrophobicContact CD1-CH2 4.49Å; F449-W462 HydrophobicContact CD2-CZ3 4.36Å; F449-W462 HydrophobicContact CE1-CH2 4.22Å; F449-W462 HydrophobicContact CE1-CZ3 4.12Å; F449-W462 AromaticContact CE2-CZ3 3.9Å; F449-W462 HydrophobicContact CE2-CZ3 3.9Å; F449-W462 HydrophobicContact CZ-CH2 4.33Å; F449-W462 AromaticContact CZ-CZ3 3.77Å; F449-W462 HydrophobicContact CZ-CZ3 3.77Å; F449-L465 HydrophobicContact CE2-CD1 3.95Å; F449-L465 HydrophobicContact CZ-CD1 3.62Å; F449-I472 HydrophobicContact CD2-CG2 4.41Å; F449-I472 HydrophobicContact CE2-CG2 4.22Å; F449-I473 PolarHBondContact N-O 3.31Å; F449-V474 HydrophobicContact CB-CB 4.35Å; F449-V474 HydrophobicContact CB-CG1 4.05Å; F449-V474 HydrophobicContact CB-CG2 4.26Å; F449-V474 HydrophobicContact CD2-CG2 3.87Å; F449-V474 HydrophobicContact CG-CG2 4.28Å; F449-L475 WeakPolarHBondContact O-CB 3.42Å; F449-L475 PolarHBondContact O-N 2.77Å
450	S	91.1	Very high	89.8	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	88.7	-169.6	-168.1	0	0	0	0	110.9	I371 D378 A452	I371-S450 PolarHBondContact O-N 3.45Å; D378-S450 VanDerWaalsContact OD1-CB 3.32Å; D378-S450 WeakPolarHBondContact OD1-CB 3.36Å; D378-S450 PolarHBondContact OD1-OG 3.48Å; S450-A452 PolarHBondContact O-N 3.4Å
451	F	82.2	Confident	89.7	Confident	39 Å²	39	29.8 Å²	29.8	17%	0.171	18%	0.182	C	C	.	.	S	Bend	trans	55.9	28.4	-177.3	-54.7	-83.8	0	0	0	113.1	S338 F449 L475	S338-F451 VanDerWaalsContact CB-CE2 3.42Å; F449-F451 PolarHBondContact O-N 3Å; F451-L475 WeakPolarHBondContact CA-O 3.24Å; F451-L475 HydrophobicContact CD1-CB 4.37Å; F451-L475 HydrophobicContact CD2-CB 4.45Å; F451-L475 HydrophobicContact CD2-CD1 4.05Å; F451-L475 HydrophobicContact CE1-CB 4.36Å; F451-L475 HydrophobicContact CE2-CB 4.43Å; F451-L475 HydrophobicContact CE2-CD1 3.6Å; F451-L475 HydrophobicContact CG-CB 4.42Å; F451-L475 HydrophobicContact CZ-CB 4.39Å; F451-L475 HydrophobicContact CZ-CD1 3.99Å; F451-L475 PolarHBondContact N-O 2.94Å
452	A	79.4	Confident	89.5	Confident	7 Å²	7	29.6 Å²	29.6	6%	0.058	18%	0.181	C	C	.	.			trans	-69.5	151.3	179.5	0	0	0	0	0	110.9	F449 S450 T454 M457	F449-A452 HydrophobicContact CB-CB 4.24Å; F449-A452 HydrophobicContact CD1-CB 4.37Å; S450-A452 PolarHBondContact O-N 3.4Å; A452-T454 HydrophobicContact CB-CG2 4.22Å; A452-T454 PolarHBondContact O-N 2.81Å; A452-M457 HydrophobicContact CB-CE 4.1Å
453	N	79.2	Confident	89.4	Confident	36 Å²	36	30.1 Å²	30.1	19%	0.193	18%	0.184	C	C	.	.			trans	-80.3	70.3	173.5	-166.5	-11.9	0	0	0	110.3	E315 A455 L456 I478	E315-N453 PolarHBondContact OE2-ND2 3.11Å; N453-A455 PolarHBondContact O-N 2.87Å; N453-L456 HydrophobicContact CB-CD1 4.38Å; N453-L456 PolarHBondContact O-N 3.42Å; N453-L456 VanDerWaalsContact O-N 3.12Å; N453-I478 WeakPolarHBondContact OD1-CD1 3.44Å
454	T	83.6	Confident	89.3	Confident	1 Å²	1	26 Å²	26	1%	0.006	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64.5	-19.2	-175.9	64.1	0	0	0	0	112.9	F449 A452 L456 M457 W462 V474 D476 F486	F449-T454 HydrophobicContact CB-CG2 4.36Å; F449-T454 HydrophobicContact CD1-CG2 4.23Å; A452-T454 HydrophobicContact CB-CG2 4.22Å; A452-T454 PolarHBondContact O-N 2.81Å; T454-L456 PolarHBondContact O-N 2.8Å; T454-L456 VanDerWaalsContact O-N 3.15Å; T454-M457 HydrophobicContact CG2-CE 4.5Å; T454-M457 HydrophobicContact CG2-SD 4.21Å; T454-M457 WeakPolarHBondContact O-CB 3.19Å; T454-M457 PolarHBondContact O-N 3.46Å; T454-W462 HydrophobicContact CG2-CH2 4.03Å; T454-V474 HydrophobicContact CG2-CG1 3.83Å; T454-D476 PolarHBondContact OG1-OD2 3.38Å; T454-F486 HydrophobicContact CG2-CZ 4.22Å
455	A	78.4	Confident	89.2	Confident	42 Å²	42	25.4 Å²	25.4	35%	0.347	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-60.1	-21.3	172.8	0	0	0	0	0	113.6	N453 I478 V482	N453-A455 PolarHBondContact O-N 2.87Å; A455-I478 HydrophobicContact CB-CD1 4.22Å; A455-V482 HydrophobicContact CB-CG2 3.49Å; A455-V482 VanDerWaalsContact CB-CG2 3.49Å
456	L	79.9	Confident	89.1	Confident	64 Å²	64	25 Å²	25	34%	0.335	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-91.8	-2	175.8	-61.8	-179.1	0	0	0	113.6	E315 N453 T454	E315-L456 HydrophobicContact CB-CD1 3.82Å; E315-L456 HydrophobicContact CB-CD2 4.38Å; N453-L456 HydrophobicContact CB-CD1 4.38Å; N453-L456 PolarHBondContact O-N 3.42Å; N453-L456 VanDerWaalsContact O-N 3.12Å; T454-L456 PolarHBondContact O-N 2.8Å; T454-L456 VanDerWaalsContact O-N 3.15Å
457	M	87.3	Confident	88.9	Confident	24 Å²	24	31.6 Å²	31.6	12%	0.118	19%	0.185	C	C	.	.	S	Bend	trans	-93.2	145.9	-179.2	-56	-179.1	179.6	0	0	110.2	I371 F432 F449 A452 T454 S459 I461 W462	I371-M457 HydrophobicContact CG2-CE 4.08Å; F432-M457 HydrophobicContact CD1-CE 4.22Å; F432-M457 HydrophobicContact CD1-SD 4.08Å; F432-M457 HydrophobicContact CE1-SD 4.49Å; F432-M457 WeakPolarHBondContact O-CE 3.19Å; F449-M457 HydrophobicContact CD1-CE 3.91Å; F449-M457 HydrophobicContact CD1-SD 3.96Å; F449-M457 HydrophobicContact CE1-CE 3.93Å; F449-M457 HydrophobicContact CE1-SD 3.61Å; A452-M457 HydrophobicContact CB-CE 4.1Å; T454-M457 HydrophobicContact CG2-CE 4.5Å; T454-M457 HydrophobicContact CG2-SD 4.21Å; T454-M457 WeakPolarHBondContact O-CB 3.19Å; T454-M457 PolarHBondContact O-N 3.46Å; M457-S459 PolarHBondContact O-N 2.71Å; M457-I461 HydrophobicContact CB-CD1 3.68Å; M457-I461 HydrophobicContact CG-CD1 4.36Å; M457-I461 HydrophobicContact SD-CD1 3.97Å; M457-W462 HydrophobicContact CB-CZ2 4.49Å; M457-W462 HydrophobicContact SD-CH2 4.08Å
458	A	88.7	Confident	88.6	Confident	38 Å²	38	35.7 Å²	35.7	31%	0.314	20%	0.2	S	C	.	.			trans	-67.3	129.5	177.8	0	0	0	0	0	110.2	N433 T460 I461	N433-A458 WeakPolarHBondContact O-CB 3.21Å; N433-A458 PolarHBondContact O-N 3.16Å; A458-T460 PolarHBondContact O-N 3.14Å; A458-I461 HydrophobicContact CB-CG2 4.45Å; A458-I461 VanDerWaalsContact O-CG1 3.23Å; A458-I461 WeakPolarHBondContact O-CG1 3.16Å; A458-I461 WeakPolarHBondContact O-CG2 3.02Å; A458-I461 PolarHBondContact O-N 3.3Å; A458-I461 VanDerWaalsContact O-N 3.08Å
459	S	87.6	Confident	88.6	Confident	71 Å²	71	35.7 Å²	35.7	50%	0.497	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.6	179.5	56.3	0	0	0	0	113.8	M457 I461 W462	M457-S459 PolarHBondContact O-N 2.71Å; S459-I461 PolarHBondContact O-N 3.28Å; S459-W462 PolarHBondContact O-N 3.5Å
460	T	89.5	Confident	88.5	Confident	83 Å²	83	38.1 Å²	38.1	51%	0.509	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.5	177	54.9	0	0	0	0	114.2	A458	A458-T460 PolarHBondContact O-N 3.14Å
461	I	92.1	Very high	88.8	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-73.9	-30.9	178.5	71.7	-177.3	0	0	0	112.4	F432 N434 V438 M457 A458 S459 L464 L465	F432-I461 HydrophobicContact CE1-CD1 3.9Å; N434-I461 WeakPolarHBondContact O-CG2 3.41Å; V438-I461 HydrophobicContact CG2-CB 3.8Å; V438-I461 HydrophobicContact CG2-CG2 3.87Å; M457-I461 HydrophobicContact CB-CD1 3.68Å; M457-I461 HydrophobicContact CG-CD1 4.36Å; M457-I461 HydrophobicContact SD-CD1 3.97Å; A458-I461 HydrophobicContact CB-CG2 4.45Å; A458-I461 VanDerWaalsContact O-CG1 3.23Å; A458-I461 WeakPolarHBondContact O-CG1 3.16Å; A458-I461 WeakPolarHBondContact O-CG2 3.02Å; A458-I461 PolarHBondContact O-N 3.3Å; A458-I461 VanDerWaalsContact O-N 3.08Å; S459-I461 PolarHBondContact O-N 3.28Å; I461-L464 WeakPolarHBondContact O-CB 3.19Å; I461-L464 PolarHBondContact O-N 3.23Å; I461-L465 HydrophobicContact CB-CD1 4.42Å; I461-L465 HydrophobicContact CD1-CD1 4.37Å; I461-L465 HydrophobicContact CG1-CD1 4.17Å; I461-L465 WeakPolarHBondContact O-CG 3.48Å; I461-L465 PolarHBondContact O-N 3.22Å
462	W	92.5	Very high	89.5	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-46.7	-168.6	-50.8	120.9	0	0	0	112.9	F449 T454 M457 S459 L464 L465 Q466 V474 F486 A489 F491	F449-W462 HydrophobicContact CD1-CH2 4.49Å; F449-W462 HydrophobicContact CD2-CZ3 4.36Å; F449-W462 HydrophobicContact CE1-CH2 4.22Å; F449-W462 HydrophobicContact CE1-CZ3 4.12Å; F449-W462 AromaticContact CE2-CZ3 3.9Å; F449-W462 HydrophobicContact CE2-CZ3 3.9Å; F449-W462 HydrophobicContact CZ-CH2 4.33Å; F449-W462 AromaticContact CZ-CZ3 3.77Å; F449-W462 HydrophobicContact CZ-CZ3 3.77Å; T454-W462 HydrophobicContact CG2-CH2 4.03Å; M457-W462 HydrophobicContact CB-CZ2 4.49Å; M457-W462 HydrophobicContact SD-CH2 4.08Å; S459-W462 PolarHBondContact O-N 3.5Å; W462-L464 VanDerWaalsContact C-N 3.3Å; W462-L464 PolarHBondContact O-N 3.32Å; W462-L465 HydrophobicContact CE3-CD1 3.93Å; W462-L465 HydrophobicContact CZ3-CD1 4.08Å; W462-L465 PolarHBondContact O-N 2.87Å; W462-Q466 WeakPolarHBondContact O-CG 3.4Å; W462-Q466 PolarHBondContact O-N 3.32Å; W462-Q466 VanDerWaalsContact O-N 3.07Å; W462-V474 HydrophobicContact CZ3-CG2 4.35Å; W462-F486 HydrophobicContact CD2-CD1 4.1Å; W462-F486 AromaticContact CD2-CE1 3.76Å; W462-F486 HydrophobicContact CD2-CE1 3.76Å; W462-F486 AromaticContact CE2-CE1 3.42Å; W462-F486 VanDerWaalsContact CE2-CE1 3.42Å; W462-F486 HydrophobicContact CE3-CD1 4.39Å; W462-F486 AromaticContact CE3-CE1 3.88Å; W462-F486 HydrophobicContact CE3-CE1 3.88Å; W462-F486 AromaticContact CH2-CE1 3.47Å; W462-F486 HydrophobicContact CH2-CE1 3.47Å; W462-F486 VanDerWaalsContact CH2-CE1 3.47Å; W462-F486 AromaticContact CH2-CZ 3.89Å; W462-F486 HydrophobicContact CH2-CZ 3.89Å; W462-F486 HydrophobicContact CZ2-CD1 4.31Å; W462-F486 AromaticContact CZ2-CE1 3.29Å; W462-F486 HydrophobicContact CZ2-CE1 3.29Å; W462-F486 AromaticContact CZ2-CZ 3.63Å; W462-F486 HydrophobicContact CZ2-CZ 3.63Å; W462-F486 AromaticContact CZ3-CE1 3.74Å; W462-F486 HydrophobicContact CZ3-CE1 3.74Å; W462-A489 HydrophobicContact CB-CB 3.65Å; W462-A489 HydrophobicContact CG-CB 4.47Å; W462-F491 HydrophobicContact CB-CE2 4.15Å; W462-F491 HydrophobicContact CE3-CZ 4.38Å
463	P	92	Very high	90.2	Very high	57 Å²	57	36 Å²	36	37%	0.37	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-36.2	175.7	-22.4	35.3	0	0	0	112.8	Q466 Q467	P463-Q466 PolarHBondContact O-N 3.4Å; P463-Q467 VanDerWaalsContact O-CG 3.32Å; P463-Q467 WeakPolarHBondContact O-CG 3.45Å; P463-Q467 PolarHBondContact O-N 3.15Å; P463-Q467 VanDerWaalsContact O-N 3.08Å
464	L	93.4	Very high	90.9	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-38.7	178.3	-60.6	174.3	0	0	0	111.7	R435 V438 I461 W462 Q467 R468	R435-L464 HydrophobicContact CB-CD1 4.21Å; R435-L464 HydrophobicContact CG-CD1 3.61Å; V438-L464 HydrophobicContact CG1-CB 4.01Å; I461-L464 WeakPolarHBondContact O-CB 3.19Å; I461-L464 PolarHBondContact O-N 3.23Å; W462-L464 VanDerWaalsContact C-N 3.3Å; W462-L464 PolarHBondContact O-N 3.32Å; L464-Q467 PolarHBondContact O-N 3.36Å; L464-R468 PolarHBondContact O-N 2.63Å
465	L	95.1	Very high	91	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-40.6	175.7	-69.4	170.5	0	0	0	111.6	F432 V438 L441 I447 F449 I461 W462 Q467 R468 Y469 I472	F432-L465 HydrophobicContact CZ-CD2 4.35Å; V438-L465 HydrophobicContact CG1-CD2 3.92Å; V438-L465 HydrophobicContact CG1-CG 4.4Å; V438-L465 HydrophobicContact CG2-CD2 4.29Å; V438-L465 HydrophobicContact CG2-CG 4.37Å; L441-L465 HydrophobicContact CD1-CD2 3.95Å; I447-L465 HydrophobicContact CD1-CD2 3.93Å; F449-L465 HydrophobicContact CE2-CD1 3.95Å; F449-L465 HydrophobicContact CZ-CD1 3.62Å; I461-L465 HydrophobicContact CB-CD1 4.42Å; I461-L465 HydrophobicContact CD1-CD1 4.37Å; I461-L465 HydrophobicContact CG1-CD1 4.17Å; I461-L465 WeakPolarHBondContact O-CG 3.48Å; I461-L465 PolarHBondContact O-N 3.22Å; W462-L465 HydrophobicContact CE3-CD1 3.93Å; W462-L465 HydrophobicContact CZ3-CD1 4.08Å; W462-L465 PolarHBondContact O-N 2.87Å; L465-Q467 VanDerWaalsContact C-N 3.31Å; L465-Q467 PolarHBondContact O-N 3.28Å; L465-R468 PolarHBondContact O-N 2.92Å; L465-R468 VanDerWaalsContact O-N 3.16Å; L465-Y469 HydrophobicContact CB-CD2 4.44Å; L465-Y469 HydrophobicContact CD2-CD2 3.83Å; L465-Y469 HydrophobicContact CD2-CE2 3.69Å; L465-Y469 WeakPolarHBondContact O-CD2 3.35Å; L465-Y469 PolarHBondContact O-N 3.29Å; L465-I472 HydrophobicContact CB-CD1 3.85Å
466	Q	93.5	Very high	90.8	Very high	32 Å²	32	32.4 Å²	32.4	15%	0.15	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-34.5	176.3	-70.4	175.1	-39.9	0	0	112.9	W462 P463 R468 I472 A489 F491 H505	W462-Q466 WeakPolarHBondContact O-CG 3.4Å; W462-Q466 PolarHBondContact O-N 3.32Å; W462-Q466 VanDerWaalsContact O-N 3.07Å; P463-Q466 PolarHBondContact O-N 3.4Å; Q466-R468 VanDerWaalsContact C-N 3.28Å; Q466-R468 PolarHBondContact O-N 2.87Å; Q466-I472 HydrophobicContact CB-CD1 4.5Å; Q466-I472 HydrophobicContact CG-CD1 3.89Å; Q466-A489 PolarHBondContact NE2-O 2.84Å; Q466-A489 PolarHBondContact OE1-O 2.91Å; Q466-F491 HydrophobicContact CG-CE2 3.94Å; Q466-F491 HydrophobicContact CG-CZ 4.34Å; Q466-F491 VanDerWaalsContact NE2-CE2 3.34Å; Q466-H505 HydrophobicContact CG-CB 4.44Å; Q466-H505 PolarHBondContact NE2-ND1 3.32Å
467	Q	91.5	Very high	90.1	Very high	138 Å²	138	32 Å²	32	65%	0.645	19%	0.185	S	C	*	.	H	α-helix	trans	-66.4	-31.6	174	-72.4	171	4.5	0	0	112.4	P463 L464 L465	P463-Q467 VanDerWaalsContact O-CG 3.32Å; P463-Q467 WeakPolarHBondContact O-CG 3.45Å; P463-Q467 PolarHBondContact O-N 3.15Å; P463-Q467 VanDerWaalsContact O-N 3.08Å; L464-Q467 PolarHBondContact O-N 3.36Å; L465-Q467 VanDerWaalsContact C-N 3.31Å; L465-Q467 PolarHBondContact O-N 3.28Å
468	R	93	Very high	88.9	Confident	86 Å²	86	32.8 Å²	32.8	33%	0.325	19%	0.189	S	C	.	.	H	α-helix	trans	-94	-36.2	-175.9	-70.4	-167.9	69.7	-174.8	-0.4	114.3	V438 L441 D443 L464 L465 Q466	V438-R468 PolarHBondContact O-NH1 2.75Å; L441-R468 PolarHBondContact O-NH1 3.45Å; L441-R468 PolarHBondContact O-NH2 3.38Å; D443-R468 IonicContact OD1-NH2 3.6Å; L464-R468 PolarHBondContact O-N 2.63Å; L465-R468 PolarHBondContact O-N 2.92Å; L465-R468 VanDerWaalsContact O-N 3.16Å; Q466-R468 VanDerWaalsContact C-N 3.28Å; Q466-R468 PolarHBondContact O-N 2.87Å
469	Y	95.2	Very high	87.3	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.197	C	C	.	.			trans	-122.5	130.6	-168.2	-58.1	-68.4	0	0	0	111.3	I369 L441 P442 A444 I447 L465	I369-Y469 HydrophobicContact CD1-CE1 3.76Å; I369-Y469 WeakPolarHBondContact CD1-OH 3.2Å; L441-Y469 WeakPolarHBondContact CB-OH 3.45Å; L441-Y469 HydrophobicContact CD1-CE2 4.05Å; P442-Y469 PolarHBondContact O-OH 2.91Å; A444-Y469 HydrophobicContact CB-CD1 4.25Å; A444-Y469 HydrophobicContact CB-CE1 3.88Å; A444-Y469 WeakPolarHBondContact O-CD1 3.34Å; I447-Y469 HydrophobicContact CD1-CD2 4.4Å; I447-Y469 HydrophobicContact CD1-CE2 4.34Å; I447-Y469 HydrophobicContact CG2-CD2 4.18Å; I447-Y469 HydrophobicContact CG2-CG 4.12Å; L465-Y469 HydrophobicContact CB-CD2 4.44Å; L465-Y469 HydrophobicContact CD2-CD2 3.83Å; L465-Y469 HydrophobicContact CD2-CE2 3.69Å; L465-Y469 WeakPolarHBondContact O-CD2 3.35Å; L465-Y469 PolarHBondContact O-N 3.29Å
470	R	92.9	Very high	85.7	Confident	52 Å²	52	39.1 Å²	39.1	20%	0.196	20%	0.203	C	C	.	.	S	Bend	trans	-73.6	-34.6	-177.8	-63.1	-169.1	-170.1	-176.5	12.5	113.6	Y360 F506 N507 I509 L510 L512	Y360-R470 HydrophobicContact CE2-CB 4.48Å; R470-F506 CarbonylContact O-C 3.52Å; R470-F506 VanDerWaalsContact O-CA 3.25Å; R470-F506 WeakPolarHBondContact O-CA 3.41Å; R470-N507 PolarHBondContact O-N 2.85Å; R470-I509 PolarHBondContact NH1-O 2.96Å; R470-L510 PolarHBondContact NH1-O 3.13Å; R470-L512 HydrophobicContact CG-CD1 3.8Å; R470-L512 HydrophobicContact CG-CD2 4.42Å; R470-L512 HydrophobicContact CG-CG 3.94Å
471	F	97.1	Very high	84.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116.8	-178.1	-170.3	-147.9	0	0	0	111	I350 V357 Y360 L361 M446 I447 I473 Y504 H505 F506	I350-F471 HydrophobicContact CG2-CE2 4.19Å; I350-F471 HydrophobicContact CG2-CZ 4.01Å; V357-F471 HydrophobicContact CG1-CE1 3.94Å; V357-F471 HydrophobicContact CG1-CE2 4.5Å; V357-F471 HydrophobicContact CG1-CZ 3.86Å; Y360-F471 HydrophobicContact CD1-CB 4.29Å; Y360-F471 HydrophobicContact CE1-CB 3.81Å; L361-F471 HydrophobicContact CD2-CD1 3.97Å; L361-F471 HydrophobicContact CD2-CE1 3.88Å; M446-F471 CarbonylContact C-O 3.46Å; M446-F471 VanDerWaalsContact CA-O 3.3Å; M446-F471 WeakPolarHBondContact CA-O 3.31Å; M446-F471 HydrophobicContact CB-CD1 4.44Å; M446-F471 HydrophobicContact CE-CD1 4.11Å; M446-F471 HydrophobicContact CE-CE1 3.87Å; M446-F471 HydrophobicContact CG-CB 4.48Å; M446-F471 HydrophobicContact CG-CD1 3.82Å; M446-F471 HydrophobicContact CG-CG 4.43Å; M446-F471 HydrophobicContact SD-CD1 3.69Å; M446-F471 HydrophobicContact SD-CE1 3.94Å; I447-F471 PolarHBondContact N-O 3.26Å; F471-I473 HydrophobicContact CD2-CG1 4.41Å; F471-I473 HydrophobicContact CE1-CD1 3.69Å; F471-I473 HydrophobicContact CE1-CG1 4.01Å; F471-I473 HydrophobicContact CE2-CD1 4.17Å; F471-I473 HydrophobicContact CE2-CG1 3.75Å; F471-I473 HydrophobicContact CZ-CD1 3.41Å; F471-I473 VanDerWaalsContact CZ-CD1 3.41Å; F471-I473 HydrophobicContact CZ-CG1 3.52Å; F471-Y504 HydrophobicContact CE2-CD2 4.28Å; F471-H505 WeakPolarHBondContact CA-O 3.18Å; F471-H505 WeakPolarHBondContact CD2-O 3.5Å; F471-F506 HydrophobicContact CB-CD2 4.12Å; F471-F506 HydrophobicContact CD2-CB 4.04Å; F471-F506 HydrophobicContact CD2-CD2 4.09Å; F471-F506 HydrophobicContact CD2-CG 4.46Å; F471-F506 HydrophobicContact CE2-CB 4.48Å; F471-F506 HydrophobicContact CG-CD2 4.24Å
472	I	96.8	Very high	82.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127	-178.9	-46.5	179	0	0	0	107.4	I447 F449 L465 Q466 V474 F491 Y504 H505	I447-I472 HydrophobicContact CG2-CB 3.79Å; I447-I472 HydrophobicContact CG2-CD1 4.42Å; I447-I472 HydrophobicContact CG2-CG1 3.57Å; I447-I472 HydrophobicContact CG2-CG2 3.63Å; I447-I472 CarbonylContact O-C 3.56Å; I447-I472 WeakPolarHBondContact O-CA 3.38Å; F449-I472 HydrophobicContact CD2-CG2 4.41Å; F449-I472 HydrophobicContact CE2-CG2 4.22Å; L465-I472 HydrophobicContact CB-CD1 3.85Å; Q466-I472 HydrophobicContact CB-CD1 4.5Å; Q466-I472 HydrophobicContact CG-CD1 3.89Å; I472-V474 HydrophobicContact CG2-CG2 4.37Å; I472-F491 HydrophobicContact CB-CE1 3.88Å; I472-F491 HydrophobicContact CB-CZ 4.14Å; I472-F491 HydrophobicContact CD1-CZ 3.9Å; I472-F491 HydrophobicContact CG2-CE1 3.57Å; I472-F491 HydrophobicContact CG2-CZ 3.78Å; I472-Y504 CarbonylContact O-C 3.57Å; I472-Y504 WeakPolarHBondContact O-CA 3.47Å; I472-Y504 WeakPolarHBondContact O-CB 3.26Å; I472-H505 HydrophobicContact CB-CB 4.22Å; I472-H505 HydrophobicContact CD1-CB 4.4Å; I472-H505 HydrophobicContact CG1-CB 4.41Å; I472-H505 PolarHBondContact N-O 3.34Å; I472-H505 PolarHBondContact O-N 2.9Å
473	I	95.5	Very high	80.8	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132	171.5	-54.6	-177.6	0	0	0	108.9	F342 I350 M446 I447 V448 F449 F471 V502	F342-I473 HydrophobicContact CE2-CD1 3.97Å; F342-I473 HydrophobicContact CE2-CG2 4.44Å; F342-I473 HydrophobicContact CZ-CD1 4.09Å; I350-I473 HydrophobicContact CD1-CD1 4.14Å; I350-I473 HydrophobicContact CD1-CG1 4.43Å; M446-I473 HydrophobicContact CE-CD1 3.36Å; M446-I473 HydrophobicContact CE-CG1 4.03Å; I447-I473 PolarHBondContact O-N 3.29Å; V448-I473 CarbonylContact C-O 3.56Å; V448-I473 WeakPolarHBondContact CA-O 3.44Å; F449-I473 PolarHBondContact N-O 3.31Å; F471-I473 HydrophobicContact CD2-CG1 4.41Å; F471-I473 HydrophobicContact CE1-CD1 3.69Å; F471-I473 HydrophobicContact CE1-CG1 4.01Å; F471-I473 HydrophobicContact CE2-CD1 4.17Å; F471-I473 HydrophobicContact CE2-CG1 3.75Å; F471-I473 HydrophobicContact CZ-CD1 3.41Å; F471-I473 VanDerWaalsContact CZ-CD1 3.41Å; F471-I473 HydrophobicContact CZ-CG1 3.52Å; I473-V502 HydrophobicContact CG2-CG1 3.94Å
474	V	92.8	Very high	79.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	108.4	173.6	-175.2	0	0	0	0	109.5	F449 T454 W462 I472 D476 F486 F491 V502 Y503	F449-V474 HydrophobicContact CB-CB 4.35Å; F449-V474 HydrophobicContact CB-CG1 4.05Å; F449-V474 HydrophobicContact CB-CG2 4.26Å; F449-V474 HydrophobicContact CD2-CG2 3.87Å; F449-V474 HydrophobicContact CG-CG2 4.28Å; T454-V474 HydrophobicContact CG2-CG1 3.83Å; W462-V474 HydrophobicContact CZ3-CG2 4.35Å; I472-V474 HydrophobicContact CG2-CG2 4.37Å; V474-D476 HydrophobicContact CG1-CB 4.33Å; V474-D476 PolarHBondContact O-N 3.35Å; V474-F486 HydrophobicContact CB-CE1 4.4Å; V474-F486 HydrophobicContact CB-CZ 4.46Å; V474-F486 HydrophobicContact CG1-CE1 4.05Å; V474-F486 HydrophobicContact CG1-CE2 4.29Å; V474-F486 HydrophobicContact CG1-CZ 3.68Å; V474-F486 HydrophobicContact CG2-CE1 3.98Å; V474-F486 HydrophobicContact CG2-CZ 4.46Å; V474-F491 HydrophobicContact CG2-CE1 4.04Å; V474-V502 WeakPolarHBondContact O-CA 3.4Å; V474-Y503 HydrophobicContact CB-CD2 4.5Å; V474-Y503 HydrophobicContact CG1-CD2 4.49Å; V474-Y503 PolarHBondContact N-O 3.4Å; V474-Y503 PolarHBondContact O-N 3.1Å
475	L	87.1	Confident	78.7	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	93.9	167.2	-65.2	165.8	0	0	0	107.5	F342 F449 F451 V502	F342-L475 HydrophobicContact CB-CD1 4.03Å; F342-L475 HydrophobicContact CD2-CD1 3.59Å; F342-L475 HydrophobicContact CD2-CG 4.29Å; F342-L475 HydrophobicContact CG-CD1 4.29Å; F449-L475 WeakPolarHBondContact O-CB 3.42Å; F449-L475 PolarHBondContact O-N 2.77Å; F451-L475 WeakPolarHBondContact CA-O 3.24Å; F451-L475 HydrophobicContact CD1-CB 4.37Å; F451-L475 HydrophobicContact CD2-CB 4.45Å; F451-L475 HydrophobicContact CD2-CD1 4.05Å; F451-L475 HydrophobicContact CE1-CB 4.36Å; F451-L475 HydrophobicContact CE2-CB 4.43Å; F451-L475 HydrophobicContact CE2-CD1 3.6Å; F451-L475 HydrophobicContact CG-CB 4.42Å; F451-L475 HydrophobicContact CZ-CB 4.39Å; F451-L475 HydrophobicContact CZ-CD1 3.99Å; F451-L475 PolarHBondContact N-O 2.94Å; L475-V502 HydrophobicContact CD2-CG1 4.11Å; L475-V502 HydrophobicContact CD2-CG2 3.72Å
476	D	74.5	Confident	78.1	Confident	4 Å²	4	45 Å²	45	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.3	-179.8	-159.2	-13.2	0	0	0	111.5	T454 V474 I478 Y503	T454-D476 PolarHBondContact OG1-OD2 3.38Å; V474-D476 HydrophobicContact CG1-CB 4.33Å; V474-D476 PolarHBondContact O-N 3.35Å; D476-I478 PolarHBondContact OD1-N 3.31Å; D476-Y503 HydrophobicContact CB-CD2 4.45Å; D476-Y503 HydrophobicContact CB-CE2 4.15Å
477	G	64	Low	77.5	Confident	56 Å²	56	47 Å²	47	58%	0.577	25%	0.247	S	C	*	.	S	Bend	trans	-87.7	-9.7	172	0	0	0	0	0	114.1
478	I	61.6	Low	77	Confident	40 Å²	40	47.2 Å²	47.2	21%	0.205	25%	0.253	C	S	.	.			trans	-120.3	126.8	-169.4	-55.2	-177.2	0	0	0	111.2	N453 A455 D476	N453-I478 WeakPolarHBondContact OD1-CD1 3.44Å; A455-I478 HydrophobicContact CB-CD1 4.22Å; D476-I478 PolarHBondContact OD1-N 3.31Å
479	K	55.3	Low	76.6	Confident	111 Å²	111	44 Å²	44	48%	0.483	25%	0.245	S	C	.	.			trans	-85.7	-30.5	-169.3	-77.4	-172.6	176.2	-175.5	0	117.1	V483 E498	K479-V483 WeakPolarHBondContact O-CG2 3.05Å; K479-E498 WeakPolarHBondContact CE-O 3.3Å; K479-E498 PolarHBondContact NZ-O 3.19Å
480	E	55.1	Low	76.1	Confident	132 Å²	132	46.3 Å²	46.3	62%	0.617	27%	0.269	S	S	*	.	S	Bend	trans	-104.2	-27.9	-153.2	-84.6	172.8	-148.7	0	0	116.5	R312	R312-E480 IonicContact CZ-OE1 3.99Å; R312-E480 VanDerWaalsContact CZ-OE1 3.28Å; R312-E480 IonicContact CZ-OE2 3.76Å; R312-E480 IonicContact NH1-OE1 2.83Å; R312-E480 PolarHBondContact NH1-OE1 3.1Å; R312-E480 VanDerWaalsContact NH1-OE1 3.16Å; R312-E480 IonicContact NH1-OE2 3.8Å; R312-E480 PolarHBondContact NH1-OE2 3.02Å; R312-E480 IonicContact NH2-OE1 3.91Å; R312-E480 PolarHBondContact NH2-OE1 2.96Å; R312-E480 IonicContact NH2-OE2 3.76Å; R312-E480 PolarHBondContact NH2-OE2 2.91Å
481	V	55.4	Low	76.1	Confident	112 Å²	112	44.2 Å²	44.2	68%	0.679	26%	0.261	S	S	*	.	S	Bend	trans	-106.8	-25.5	-171.5	-175	0	0	0	0	113.2
482	V	58.1	Low	75.8	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.036	28%	0.283	C	S	.	.	S	Bend	trans	-96.9	-19.2	-165.4	-150.9	0	0	0	0	113.7	A455 D484 S485 F486	A455-V482 HydrophobicContact CB-CG2 3.49Å; A455-V482 VanDerWaalsContact CB-CG2 3.49Å; V482-D484 VanDerWaalsContact C-N 3.29Å; V482-D484 PolarHBondContact O-N 2.81Å; V482-S485 WeakPolarHBondContact O-CB 3.01Å; V482-S485 PolarHBondContact O-N 2.94Å; V482-F486 HydrophobicContact CB-CD2 4.23Å; V482-F486 HydrophobicContact CB-CE2 3.69Å; V482-F486 HydrophobicContact CB-CZ 4.47Å; V482-F486 HydrophobicContact CG1-CD2 3.86Å; V482-F486 HydrophobicContact CG1-CE2 3.17Å; V482-F486 HydrophobicContact CG1-CZ 3.53Å; V482-F486 VanDerWaalsContact O-CD2 3.26Å; V482-F486 WeakPolarHBondContact O-CD2 3.44Å; V482-F486 PolarHBondContact O-N 3.25Å
483	V	58.1	Low	75.3	Confident	24 Å²	24	52.1 Å²	52.1	15%	0.145	30%	0.298	C	S	.	.	H	α-helix	trans	-54	-46.7	-173.5	-175.6	0	0	0	0	111.3	K479 S485 F486 L487 Y503	K479-V483 WeakPolarHBondContact O-CG2 3.05Å; V483-S485 VanDerWaalsContact C-N 3.29Å; V483-S485 PolarHBondContact O-N 2.57Å; V483-F486 PolarHBondContact O-N 3.32Å; V483-L487 HydrophobicContact CG1-CD1 3.85Å; V483-L487 HydrophobicContact CG1-CG 4.35Å; V483-L487 WeakPolarHBondContact O-CG 3.49Å; V483-L487 PolarHBondContact O-N 2.99Å; V483-L487 VanDerWaalsContact O-N 3.12Å; V483-Y503 HydrophobicContact CG1-CE1 4.24Å; V483-Y503 WeakPolarHBondContact CG2-OH 3.49Å
484	D	65.9	Low	74.7	Confident	111 Å²	111	52.3 Å²	52.3	59%	0.594	30%	0.299	S	S	*	.	H	α-helix	trans	-64.5	-34.4	-177.8	-62.4	-16.4	0	0	0	112	V482 N488	V482-D484 VanDerWaalsContact C-N 3.29Å; V482-D484 PolarHBondContact O-N 2.81Å; D484-N488 WeakPolarHBondContact O-CB 3.42Å; D484-N488 PolarHBondContact O-N 3.12Å; D484-N488 PolarHBondContact O-ND2 3.07Å; D484-N488 VanDerWaalsContact O-ND2 3.09Å
485	S	75.2	Confident	74.1	Confident	39 Å²	39	56 Å²	56	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-67.7	-39.5	179.7	-66.5	0	0	0	0	112.2	V482 V483 A489	V482-S485 WeakPolarHBondContact O-CB 3.01Å; V482-S485 PolarHBondContact O-N 2.94Å; V483-S485 VanDerWaalsContact C-N 3.29Å; V483-S485 PolarHBondContact O-N 2.57Å; S485-A489 WeakPolarHBondContact O-CB 3.42Å; S485-A489 PolarHBondContact O-N 3.21Å
486	F	82.1	Confident	73.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-69.9	-45.8	177.6	-66.1	-58.3	0	0	0	112	T454 W462 V474 V482 V483 A489 G490 F491 Y503	T454-F486 HydrophobicContact CG2-CZ 4.22Å; W462-F486 HydrophobicContact CD2-CD1 4.1Å; W462-F486 AromaticContact CD2-CE1 3.76Å; W462-F486 HydrophobicContact CD2-CE1 3.76Å; W462-F486 AromaticContact CE2-CE1 3.42Å; W462-F486 VanDerWaalsContact CE2-CE1 3.42Å; W462-F486 HydrophobicContact CE3-CD1 4.39Å; W462-F486 AromaticContact CE3-CE1 3.88Å; W462-F486 HydrophobicContact CE3-CE1 3.88Å; W462-F486 AromaticContact CH2-CE1 3.47Å; W462-F486 HydrophobicContact CH2-CE1 3.47Å; W462-F486 VanDerWaalsContact CH2-CE1 3.47Å; W462-F486 AromaticContact CH2-CZ 3.89Å; W462-F486 HydrophobicContact CH2-CZ 3.89Å; W462-F486 HydrophobicContact CZ2-CD1 4.31Å; W462-F486 AromaticContact CZ2-CE1 3.29Å; W462-F486 HydrophobicContact CZ2-CE1 3.29Å; W462-F486 AromaticContact CZ2-CZ 3.63Å; W462-F486 HydrophobicContact CZ2-CZ 3.63Å; W462-F486 AromaticContact CZ3-CE1 3.74Å; W462-F486 HydrophobicContact CZ3-CE1 3.74Å; V474-F486 HydrophobicContact CB-CE1 4.4Å; V474-F486 HydrophobicContact CB-CZ 4.46Å; V474-F486 HydrophobicContact CG1-CE1 4.05Å; V474-F486 HydrophobicContact CG1-CE2 4.29Å; V474-F486 HydrophobicContact CG1-CZ 3.68Å; V474-F486 HydrophobicContact CG2-CE1 3.98Å; V474-F486 HydrophobicContact CG2-CZ 4.46Å; V482-F486 HydrophobicContact CB-CD2 4.23Å; V482-F486 HydrophobicContact CB-CE2 3.69Å; V482-F486 HydrophobicContact CB-CZ 4.47Å; V482-F486 HydrophobicContact CG1-CD2 3.86Å; V482-F486 HydrophobicContact CG1-CE2 3.17Å; V482-F486 HydrophobicContact CG1-CZ 3.53Å; V482-F486 VanDerWaalsContact O-CD2 3.26Å; V482-F486 WeakPolarHBondContact O-CD2 3.44Å; V482-F486 PolarHBondContact O-N 3.25Å; V483-F486 PolarHBondContact O-N 3.32Å; F486-A489 CarbonylContact O-C 3.52Å; F486-A489 PolarHBondContact O-N 3.07Å; F486-A489 VanDerWaalsContact O-N 3.17Å; F486-G490 PolarHBondContact O-N 3.49Å; F486-F491 HydrophobicContact CB-CB 4.09Å; F486-F491 HydrophobicContact CB-CG 4.4Å; F486-F491 HydrophobicContact CD1-CG 4.47Å; F486-F491 WeakPolarHBondContact O-CB 3.37Å; F486-F491 PolarHBondContact O-N 3.01Å; F486-Y503 HydrophobicContact CB-CD1 3.77Å; F486-Y503 HydrophobicContact CB-CE1 4.23Å; F486-Y503 HydrophobicContact CB-CG 4Å; F486-Y503 HydrophobicContact CD2-CD1 4.09Å; F486-Y503 AromaticContact CD2-CD2 3.57Å; F486-Y503 HydrophobicContact CD2-CD2 3.57Å; F486-Y503 HydrophobicContact CD2-CE1 4.18Å; F486-Y503 AromaticContact CD2-CE2 3.65Å; F486-Y503 HydrophobicContact CD2-CE2 3.65Å; F486-Y503 AromaticContact CD2-CG 3.81Å; F486-Y503 HydrophobicContact CD2-CG 3.81Å; F486-Y503 AromaticContact CD2-CZ 3.98Å; F486-Y503 AromaticContact CE2-CD2 3.84Å; F486-Y503 HydrophobicContact CE2-CD2 3.84Å; F486-Y503 AromaticContact CE2-CE2 3.93Å; F486-Y503 HydrophobicContact CE2-CE2 3.93Å; F486-Y503 HydrophobicContact CE2-CG 4.46Å; F486-Y503 HydrophobicContact CG-CD1 4.15Å; F486-Y503 HydrophobicContact CG-CD2 4.13Å; F486-Y503 AromaticContact CG-CG 3.92Å; F486-Y503 HydrophobicContact CG-CG 3.92Å
487	L	80.9	Confident	73.1	Confident	73 Å²	73	59.8 Å²	59.8	38%	0.382	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-42.2	-180	-65.3	179.3	0	0	0	111.4	V483 A489 G490 D493	V483-L487 HydrophobicContact CG1-CD1 3.85Å; V483-L487 HydrophobicContact CG1-CG 4.35Å; V483-L487 WeakPolarHBondContact O-CG 3.49Å; V483-L487 PolarHBondContact O-N 2.99Å; V483-L487 VanDerWaalsContact O-N 3.12Å; L487-A489 PolarHBondContact O-N 3.36Å; L487-G490 PolarHBondContact O-N 3.45Å; L487-D493 HydrophobicContact CD2-CB 4.24Å
488	N	81.7	Confident	73.1	Confident	143 Å²	143	64.5 Å²	64.5	77%	0.765	35%	0.352	S	S	*	.	H	α-helix	trans	-63.6	-29.6	174.6	-71.8	-21.1	0	0	0	112.7	D484 G490	D484-N488 WeakPolarHBondContact O-CB 3.42Å; D484-N488 PolarHBondContact O-N 3.12Å; D484-N488 PolarHBondContact O-ND2 3.07Å; D484-N488 VanDerWaalsContact O-ND2 3.09Å; N488-G490 VanDerWaalsContact C-N 3.26Å
489	A	83.5	Confident	73.3	Confident	18 Å²	18	71.8 Å²	71.8	15%	0.149	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.6	172.4	0	0	0	0	0	112.8	W462 Q466 S485 F486 L487 F491	W462-A489 HydrophobicContact CB-CB 3.65Å; W462-A489 HydrophobicContact CG-CB 4.47Å; Q466-A489 PolarHBondContact NE2-O 2.84Å; Q466-A489 PolarHBondContact OE1-O 2.91Å; S485-A489 WeakPolarHBondContact O-CB 3.42Å; S485-A489 PolarHBondContact O-N 3.21Å; F486-A489 CarbonylContact O-C 3.52Å; F486-A489 PolarHBondContact O-N 3.07Å; F486-A489 VanDerWaalsContact O-N 3.17Å; L487-A489 PolarHBondContact O-N 3.36Å; A489-F491 HydrophobicContact CB-CD2 3.97Å; A489-F491 HydrophobicContact CB-CE2 4.17Å
490	G	85.7	Confident	74.1	Confident	50 Å²	50	67.7 Å²	67.7	52%	0.515	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	24	179.8	0	0	0	0	0	114.6	F486 L487 N488	F486-G490 PolarHBondContact O-N 3.49Å; L487-G490 PolarHBondContact O-N 3.45Å; N488-G490 VanDerWaalsContact C-N 3.26Å
491	F	91.5	Very high	75.4	Confident	7 Å²	7	64.5 Å²	64.5	3%	0.031	35%	0.345	C	S	.	.			trans	-75.5	143.8	166.6	-76	-115.5	0	0	0	110.1	W462 Q466 I472 V474 F486 A489 Y504 H505	W462-F491 HydrophobicContact CB-CE2 4.15Å; W462-F491 HydrophobicContact CE3-CZ 4.38Å; Q466-F491 HydrophobicContact CG-CE2 3.94Å; Q466-F491 HydrophobicContact CG-CZ 4.34Å; Q466-F491 VanDerWaalsContact NE2-CE2 3.34Å; I472-F491 HydrophobicContact CB-CE1 3.88Å; I472-F491 HydrophobicContact CB-CZ 4.14Å; I472-F491 HydrophobicContact CD1-CZ 3.9Å; I472-F491 HydrophobicContact CG2-CE1 3.57Å; I472-F491 HydrophobicContact CG2-CZ 3.78Å; V474-F491 HydrophobicContact CG2-CE1 4.04Å; F486-F491 HydrophobicContact CB-CB 4.09Å; F486-F491 HydrophobicContact CB-CG 4.4Å; F486-F491 HydrophobicContact CD1-CG 4.47Å; F486-F491 WeakPolarHBondContact O-CB 3.37Å; F486-F491 PolarHBondContact O-N 3.01Å; A489-F491 HydrophobicContact CB-CD2 3.97Å; A489-F491 HydrophobicContact CB-CE2 4.17Å; F491-Y504 WeakPolarHBondContact CA-O 3.33Å; F491-H505 HydrophobicContact CD1-CB 4.04Å; F491-H505 HydrophobicContact CD2-CB 4.49Å; F491-H505 HydrophobicContact CE1-CB 3.93Å; F491-H505 HydrophobicContact CE2-CB 4.38Å; F491-H505 HydrophobicContact CG-CB 4.32Å; F491-H505 HydrophobicContact CZ-CB 4.1Å
492	K	90.4	Very high	76.9	Confident	105 Å²	105	59.1 Å²	59.1	46%	0.457	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	143.2	166	-65.5	179.8	178.1	-175.9	0	108.9	N354 Y503 Y504	N354-K492 PolarHBondContact OD1-NZ 2.86Å; K492-Y503 CarbonylContact O-C 3.58Å; K492-Y503 VanDerWaalsContact O-CA 3.22Å; K492-Y503 WeakPolarHBondContact O-CA 2.83Å; K492-Y504 HydrophobicContact CB-CD1 3.93Å; K492-Y504 HydrophobicContact CB-CE1 3.47Å; K492-Y504 VanDerWaalsContact CB-CE1 3.47Å; K492-Y504 HydrophobicContact CB-CE2 4.38Å; K492-Y504 HydrophobicContact CD-CE1 4.12Å; K492-Y504 HydrophobicContact CD-CE2 3.89Å; K492-Y504 VanDerWaalsContact CD-CZ 3.47Å; K492-Y504 WeakPolarHBondContact CD-OH 3.37Å; K492-Y504 HydrophobicContact CG-CE1 4.42Å; K492-Y504 PolarHBondContact N-O 3.36Å; K492-Y504 PolarHBondContact O-N 3.48Å
493	D	86.9	Confident	78.5	Confident	61 Å²	61	59 Å²	59	33%	0.326	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.2	174.7	82.5	-53.7	0	0	0	112.8	L487 K501 V502 Y503	L487-D493 HydrophobicContact CD2-CB 4.24Å; D493-K501 IonicContact OD2-NZ 3.71Å; D493-K501 PolarHBondContact OD2-NZ 3.49Å; D493-V502 CarbonylContact C-O 3.57Å; D493-V502 WeakPolarHBondContact CA-O 3.46Å; D493-Y503 HydrophobicContact CB-CD1 3.41Å; D493-Y503 VanDerWaalsContact CB-CD1 3.41Å; D493-Y503 HydrophobicContact CB-CE1 3.41Å; D493-Y503 VanDerWaalsContact CB-CE1 3.41Å; D493-Y503 HydrophobicContact CB-CG 4.48Å
494	I	83.5	Confident	80.2	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.9	178.5	-67.9	160.5	0	0	0	107.8	R349 I350 L496 K501 V502 Y504	R349-I494 HydrophobicContact CB-CD1 3.66Å; R349-I494 HydrophobicContact CB-CG1 4.21Å; R349-I494 HydrophobicContact CB-CG2 3.61Å; R349-I494 HydrophobicContact CG-CG2 3.51Å; I350-I494 HydrophobicContact CG1-CD1 3.53Å; I494-L496 PolarHBondContact O-N 3.49Å; I494-K501 CarbonylContact O-C 3.59Å; I494-K501 WeakPolarHBondContact O-CA 3.42Å; I494-V502 HydrophobicContact CB-CB 4.5Å; I494-V502 PolarHBondContact N-O 3.02Å; I494-V502 PolarHBondContact O-N 3.26Å; I494-Y504 HydrophobicContact CD1-CD1 3.62Å; I494-Y504 HydrophobicContact CD1-CE1 3.31Å; I494-Y504 HydrophobicContact CG1-CD1 4.33Å; I494-Y504 HydrophobicContact CG1-CE1 3.9Å
495	T	80.1	Confident	81.6	Confident	78 Å²	78	53.9 Å²	53.9	48%	0.479	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109	167.4	-59.4	0	0	0	0	109.1	T497	T495-T497 VanDerWaalsContact CG2-O 3.3Å; T495-T497 WeakPolarHBondContact CG2-O 3.36Å
496	L	71.9	Confident	82.5	Confident	25 Å²	25	53.7 Å²	53.7	13%	0.131	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-45.9	178.9	-169.8	76.6	0	0	0	111.1	S341 Q344 A345 I494 T500 V502	S341-L496 WeakPolarHBondContact O-CD2 3.22Å; Q344-L496 HydrophobicContact CB-CD1 3.91Å; A345-L496 HydrophobicContact CB-CD1 3.99Å; I494-L496 PolarHBondContact O-N 3.49Å; L496-T500 HydrophobicContact CB-CG2 4.32Å; L496-T500 HydrophobicContact CD2-CG2 4.19Å; L496-T500 PolarHBondContact N-O 2.84Å; L496-V502 HydrophobicContact CB-CG2 4.31Å
497	T	68.7	Low	83	Confident	59 Å²	59	57.7 Å²	57.7	36%	0.362	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	170.7	173.5	71.4	0	0	0	0	108.6	T495 R499 T500	T495-T497 VanDerWaalsContact CG2-O 3.3Å; T495-T497 WeakPolarHBondContact CG2-O 3.36Å; T497-R499 PolarHBondContact O-N 3.23Å; T497-R499 PolarHBondContact OG1-N 3.34Å; T497-R499 VanDerWaalsContact OG1-N 3.12Å; T497-T500 PolarHBondContact N-O 3.44Å; T497-T500 PolarHBondContact O-N 3.08Å; T497-T500 WeakPolarHBondContact OG1-CB 3.38Å; T497-T500 PolarHBondContact OG1-N 3.26Å; T497-T500 PolarHBondContact OG1-OG1 3.05Å
498	E	63.8	Low	83.4	Confident	155 Å²	155	55.3 Å²	55.3	72%	0.724	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.7	171.1	-66.6	-172.2	170	0	0	112.8	K479	K479-E498 WeakPolarHBondContact CE-O 3.3Å; K479-E498 PolarHBondContact NZ-O 3.19Å
499	R	66	Low	83.4	Confident	193 Å²	193	50.7 Å²	50.7	73%	0.728	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-13.7	-176.6	-63.2	-173.9	-175.5	-177.2	3.5	114.6	T497	T497-R499 PolarHBondContact O-N 3.23Å; T497-R499 PolarHBondContact OG1-N 3.34Å; T497-R499 VanDerWaalsContact OG1-N 3.12Å
500	T	72.3	Confident	83	Confident	25 Å²	25	56.6 Å²	56.6	15%	0.153	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	116.9	-169.3	-54.4	0	0	0	0	110	L496 T497 V502	L496-T500 HydrophobicContact CB-CG2 4.32Å; L496-T500 HydrophobicContact CD2-CG2 4.19Å; L496-T500 PolarHBondContact N-O 2.84Å; T497-T500 PolarHBondContact N-O 3.44Å; T497-T500 PolarHBondContact O-N 3.08Å; T497-T500 WeakPolarHBondContact OG1-CB 3.38Å; T497-T500 PolarHBondContact OG1-N 3.26Å; T497-T500 PolarHBondContact OG1-OG1 3.05Å; T500-V502 HydrophobicContact CG2-CG2 4.48Å
501	K	80.9	Confident	81.8	Confident	64 Å²	64	58.9 Å²	58.9	28%	0.278	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.1	166.8	-75.3	-165.3	167.4	-151	0	109.5	D493 I494 Y503	D493-K501 IonicContact OD2-NZ 3.71Å; D493-K501 PolarHBondContact OD2-NZ 3.49Å; I494-K501 CarbonylContact O-C 3.59Å; I494-K501 WeakPolarHBondContact O-CA 3.42Å; K501-Y503 HydrophobicContact CB-CE2 4.15Å; K501-Y503 WeakPolarHBondContact CD-OH 3.35Å
502	V	87.2	Confident	80.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.1	174.9	-175.8	0	0	0	0	107.2	A345 I473 V474 L475 D493 I494 L496 T500	A345-V502 HydrophobicContact CB-CB 4.35Å; A345-V502 HydrophobicContact CB-CG1 4.17Å; A345-V502 HydrophobicContact CB-CG2 3.85Å; I473-V502 HydrophobicContact CG2-CG1 3.94Å; V474-V502 WeakPolarHBondContact O-CA 3.4Å; L475-V502 HydrophobicContact CD2-CG1 4.11Å; L475-V502 HydrophobicContact CD2-CG2 3.72Å; D493-V502 CarbonylContact C-O 3.57Å; D493-V502 WeakPolarHBondContact CA-O 3.46Å; I494-V502 HydrophobicContact CB-CB 4.5Å; I494-V502 PolarHBondContact N-O 3.02Å; I494-V502 PolarHBondContact O-N 3.26Å; L496-V502 HydrophobicContact CB-CG2 4.31Å; T500-V502 HydrophobicContact CG2-CG2 4.48Å
503	Y	91.6	Very high	78	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	143.9	173.1	-51.5	-89.7	0	0	0	108.9	V474 D476 V483 F486 K492 D493 K501	V474-Y503 HydrophobicContact CB-CD2 4.5Å; V474-Y503 HydrophobicContact CG1-CD2 4.49Å; V474-Y503 PolarHBondContact N-O 3.4Å; V474-Y503 PolarHBondContact O-N 3.1Å; D476-Y503 HydrophobicContact CB-CD2 4.45Å; D476-Y503 HydrophobicContact CB-CE2 4.15Å; V483-Y503 HydrophobicContact CG1-CE1 4.24Å; V483-Y503 WeakPolarHBondContact CG2-OH 3.49Å; F486-Y503 HydrophobicContact CB-CD1 3.77Å; F486-Y503 HydrophobicContact CB-CE1 4.23Å; F486-Y503 HydrophobicContact CB-CG 4Å; F486-Y503 HydrophobicContact CD2-CD1 4.09Å; F486-Y503 AromaticContact CD2-CD2 3.57Å; F486-Y503 HydrophobicContact CD2-CD2 3.57Å; F486-Y503 HydrophobicContact CD2-CE1 4.18Å; F486-Y503 AromaticContact CD2-CE2 3.65Å; F486-Y503 HydrophobicContact CD2-CE2 3.65Å; F486-Y503 AromaticContact CD2-CG 3.81Å; F486-Y503 HydrophobicContact CD2-CG 3.81Å; F486-Y503 AromaticContact CD2-CZ 3.98Å; F486-Y503 AromaticContact CE2-CD2 3.84Å; F486-Y503 HydrophobicContact CE2-CD2 3.84Å; F486-Y503 AromaticContact CE2-CE2 3.93Å; F486-Y503 HydrophobicContact CE2-CE2 3.93Å; F486-Y503 HydrophobicContact CE2-CG 4.46Å; F486-Y503 HydrophobicContact CG-CD1 4.15Å; F486-Y503 HydrophobicContact CG-CD2 4.13Å; F486-Y503 AromaticContact CG-CG 3.92Å; F486-Y503 HydrophobicContact CG-CG 3.92Å; K492-Y503 CarbonylContact O-C 3.58Å; K492-Y503 VanDerWaalsContact O-CA 3.22Å; K492-Y503 WeakPolarHBondContact O-CA 2.83Å; D493-Y503 HydrophobicContact CB-CD1 3.41Å; D493-Y503 VanDerWaalsContact CB-CD1 3.41Å; D493-Y503 HydrophobicContact CB-CE1 3.41Å; D493-Y503 VanDerWaalsContact CB-CE1 3.41Å; D493-Y503 HydrophobicContact CB-CG 4.48Å; K501-Y503 HydrophobicContact CB-CE2 4.15Å; K501-Y503 WeakPolarHBondContact CD-OH 3.35Å
504	Y	94.5	Very high	75.9	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.9	174.8	75.2	-77.6	0	0	0	112.6	I350 E353 N354 F471 I472 F491 K492 I494	I350-Y504 HydrophobicContact CD1-CD1 4.39Å; I350-Y504 HydrophobicContact CD1-CG 4.22Å; I350-Y504 HydrophobicContact CG1-CD1 3.97Å; I350-Y504 HydrophobicContact CG1-CD2 4.48Å; I350-Y504 HydrophobicContact CG1-CE1 4.2Å; I350-Y504 HydrophobicContact CG1-CG 4.11Å; I350-Y504 HydrophobicContact CG2-CD2 4.04Å; I350-Y504 HydrophobicContact CG2-CE2 4.05Å; I350-Y504 HydrophobicContact CG2-CG 4.47Å; E353-Y504 PolarHBondContact OE2-OH 2.68Å; N354-Y504 VanDerWaalsContact ND2-CE2 3.32Å; N354-Y504 WeakPolarHBondContact ND2-CE2 3.3Å; N354-Y504 PolarHBondContact ND2-OH 3.4Å; F471-Y504 HydrophobicContact CE2-CD2 4.28Å; I472-Y504 CarbonylContact O-C 3.57Å; I472-Y504 WeakPolarHBondContact O-CA 3.47Å; I472-Y504 WeakPolarHBondContact O-CB 3.26Å; F491-Y504 WeakPolarHBondContact CA-O 3.33Å; K492-Y504 HydrophobicContact CB-CD1 3.93Å; K492-Y504 HydrophobicContact CB-CE1 3.47Å; K492-Y504 VanDerWaalsContact CB-CE1 3.47Å; K492-Y504 HydrophobicContact CB-CE2 4.38Å; K492-Y504 HydrophobicContact CD-CE1 4.12Å; K492-Y504 HydrophobicContact CD-CE2 3.89Å; K492-Y504 VanDerWaalsContact CD-CZ 3.47Å; K492-Y504 WeakPolarHBondContact CD-OH 3.37Å; K492-Y504 HydrophobicContact CG-CE1 4.42Å; K492-Y504 PolarHBondContact N-O 3.36Å; K492-Y504 PolarHBondContact O-N 3.48Å; I494-Y504 HydrophobicContact CD1-CD1 3.62Å; I494-Y504 HydrophobicContact CD1-CE1 3.31Å; I494-Y504 HydrophobicContact CG1-CD1 4.33Å; I494-Y504 HydrophobicContact CG1-CE1 3.9Å
505	H	95.1	Very high	73.9	Confident	29 Å²	29	71.7 Å²	71.7	13%	0.134	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.3	171.9	171	81.2	0	0	0	108.3	Q466 F471 I472 F491	Q466-H505 HydrophobicContact CG-CB 4.44Å; Q466-H505 PolarHBondContact NE2-ND1 3.32Å; F471-H505 WeakPolarHBondContact CA-O 3.18Å; F471-H505 WeakPolarHBondContact CD2-O 3.5Å; I472-H505 HydrophobicContact CB-CB 4.22Å; I472-H505 HydrophobicContact CD1-CB 4.4Å; I472-H505 HydrophobicContact CG1-CB 4.41Å; I472-H505 PolarHBondContact N-O 3.34Å; I472-H505 PolarHBondContact O-N 2.9Å; F491-H505 HydrophobicContact CD1-CB 4.04Å; F491-H505 HydrophobicContact CD2-CB 4.49Å; F491-H505 HydrophobicContact CE1-CB 3.93Å; F491-H505 HydrophobicContact CE2-CB 4.38Å; F491-H505 HydrophobicContact CG-CB 4.32Å; F491-H505 HydrophobicContact CZ-CB 4.1Å
506	F	95.2	Very high	72	Confident	34 Å²	34	71.3 Å²	71.3	15%	0.149	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119.6	175.8	179.3	-120.9	0	0	0	110.2	N354 D356 V357 Y360 R470 F471 I509	N354-F506 HydrophobicContact CB-CD1 4.45Å; D356-F506 HydrophobicContact CB-CE1 3.9Å; D356-F506 HydrophobicContact CB-CZ 4.4Å; V357-F506 HydrophobicContact CG2-CB 4.26Å; V357-F506 HydrophobicContact CG2-CD1 3.51Å; V357-F506 HydrophobicContact CG2-CD2 4.08Å; V357-F506 HydrophobicContact CG2-CE1 3.76Å; V357-F506 HydrophobicContact CG2-CE2 4.32Å; V357-F506 HydrophobicContact CG2-CG 3.68Å; V357-F506 HydrophobicContact CG2-CZ 4.16Å; Y360-F506 AromaticContact CD1-CE2 3.78Å; Y360-F506 HydrophobicContact CD1-CE2 3.78Å; Y360-F506 HydrophobicContact CD2-CE2 4.24Å; Y360-F506 HydrophobicContact CE1-CE2 4.41Å; Y360-F506 AromaticContact CG-CE2 3.68Å; Y360-F506 HydrophobicContact CG-CE2 3.68Å; Y360-F506 HydrophobicContact CG-CZ 4.15Å; R470-F506 CarbonylContact O-C 3.52Å; R470-F506 VanDerWaalsContact O-CA 3.25Å; R470-F506 WeakPolarHBondContact O-CA 3.41Å; F471-F506 HydrophobicContact CB-CD2 4.12Å; F471-F506 HydrophobicContact CD2-CB 4.04Å; F471-F506 HydrophobicContact CD2-CD2 4.09Å; F471-F506 HydrophobicContact CD2-CG 4.46Å; F471-F506 HydrophobicContact CE2-CB 4.48Å; F471-F506 HydrophobicContact CG-CD2 4.24Å; F506-I509 HydrophobicContact CZ-CG1 4.26Å
507	N	91.8	Very high	70.2	Confident	84 Å²	84	77.8 Å²	77.8	45%	0.449	42%	0.422	S	S	.	.			trans	-99.6	32.6	-176.8	-155.6	15.7	0	0	0	114	R470 L512	R470-N507 PolarHBondContact O-N 2.85Å; N507-L512 HydrophobicContact CB-CD2 4.32Å; N507-L512 WeakPolarHBondContact ND2-CD2 3.42Å
508	G	88.4	Confident	68.6	Low	24 Å²	24	82.2 Å²	82.2	25%	0.247	44%	0.442	C	S	.	.			trans	74.5	-179.4	175.9	0	0	0	0	0	115.5
509	I	83	Confident	67	Low	46 Å²	46	89.5 Å²	89.5	24%	0.236	46%	0.463	C	S	.	.	S	Bend	trans	-90.6	-28.6	-176.3	-56.7	166.2	0	0	0	111.7	D356 I359 R470 F506	D356-I509 HydrophobicContact CB-CD1 3.6Å; D356-I509 HydrophobicContact CB-CG1 3.99Å; I359-I509 HydrophobicContact CB-CD1 3.97Å; I359-I509 HydrophobicContact CD1-CD1 4.34Å; I359-I509 HydrophobicContact CG2-CD1 3.91Å; R470-I509 PolarHBondContact NH1-O 2.96Å; F506-I509 HydrophobicContact CZ-CG1 4.26Å
510	L	74.7	Confident	67	Low	142 Å²	142	84.3 Å²	84.3	74%	0.743	45%	0.45	S	S	*	.	S	Bend	trans	-62.4	149.3	-179.7	-67.6	175	0	0	0	111.1	R470 L512	R470-L510 PolarHBondContact NH1-O 3.13Å; L510-L512 PolarHBondContact O-N 3.21Å
511	P	61	Low	66.8	Low	98 Å²	98	87.4 Å²	87.4	64%	0.636	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-47	133.3	171.2	-25.5	34.3	0	0	0	111.5	E513	P511-E513 PolarHBondContact O-N 3.48Å; P511-E513 VanDerWaalsContact O-N 3.09Å
512	L	55.5	Low	66	Low	61 Å²	61	88.7 Å²	88.7	32%	0.319	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-53.7	120.7	161.7	-71.1	167	0	0	0	105.5	R470 N507 L510 S514	R470-L512 HydrophobicContact CG-CD1 3.8Å; R470-L512 HydrophobicContact CG-CD2 4.42Å; R470-L512 HydrophobicContact CG-CG 3.94Å; N507-L512 HydrophobicContact CB-CD2 4.32Å; N507-L512 WeakPolarHBondContact ND2-CD2 3.42Å; L510-L512 PolarHBondContact O-N 3.21Å; L512-S514 PolarHBondContact O-N 3.45Å
513	E	45.9	Very low	64.7	Low	189 Å²	189	93.9 Å²	93.9	88%	0.883	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-50.6	119.7	168.2	-71.9	-175.1	167.6	0	0	106.1	P511 S515	P511-E513 PolarHBondContact O-N 3.48Å; P511-E513 VanDerWaalsContact O-N 3.09Å; E513-S515 PolarHBondContact O-N 3.02Å
514	S	42.4	Very low	63	Low	98 Å²	98	99.7 Å²	99.7	69%	0.685	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-55.5	118.1	-178.6	54	0	0	0	0	107.2	L512 A516	L512-S514 PolarHBondContact O-N 3.45Å; S514-A516 PolarHBondContact O-N 3.05Å
515	S	41.7	Very low	60.9	Low	99 Å²	99	106.3 Å²	106.3	69%	0.692	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-67.6	32.5	173.6	48.7	0	0	0	0	112.6	E513 D517	E513-S515 PolarHBondContact O-N 3.02Å; S515-D517 PolarHBondContact O-N 3.19Å
516	A	39.8	Very low	58.5	Low	71 Å²	71	111.9 Å²	111.9	59%	0.587	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-68.7	-10	173	0	0	0	0	0	112.8	S514	S514-A516 PolarHBondContact O-N 3.05Å
517	D	35.3	Very low	55.7	Low	160 Å²	160	117.8 Å²	117.8	86%	0.856	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-103.8	12	-179.6	-76.1	-25.3	0	0	0	115.2	S515	S515-D517 PolarHBondContact O-N 3.19Å
518	I	33.9	Very low	52.7	Low	152 Å²	152	120.7 Å²	120.7	78%	0.779	65%	0.652	S	S	*	*			trans	-105.4	82.8	165.3	-53.1	175.8	0	0	0	108
519	R	30.6	Very low	49.4	Very low	308 Å²	308	129.5 Å²	129.5	100%	1.162	69%	0.689	S	S	*	*			trans	-89.5	0	164.4	-84.4	-172.9	176	-177.6	0.2	111.1

Retrieved 519 of 519 residues in 211.4 ms (Link to these results)

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