G4V8F7_SCHMA Loading...

Putative gtp-binding protein (I) alpha-1subunit, gnai1

AlphaFold DB , UniProt , Accession G4V8F7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 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	39.6	Very low	66.9	Low	239 Å²	239	118.6 Å²	118.6	100%	1.177	66%	0.656	S	S	*	*				0	108.8	0	-69.4	-176.7	-169	0	0	107.3	C3	M1-C3 PolarHBondContact O-N 2.98Å
2	G	48.9	Very low	68.3	Low	76 Å²	76	113 Å²	113	78%	0.784	64%	0.636	S	S	*	*			trans	-79	102.7	174.6	0	0	0	0	0	108.6	L4	G2-L4 PolarHBondContact O-N 3.29Å
3	C	53.5	Low	69.6	Low	124 Å²	124	109.5 Å²	109.5	84%	0.838	62%	0.619	S	S	*	*			trans	-62.3	106.1	168.8	-83.9	0	0	0	0	107.8	M1 L5	M1-C3 PolarHBondContact O-N 2.98Å; C3-L5 PolarHBondContact O-N 3.15Å; C3-L5 VanDerWaalsContact O-N 3.09Å
4	L	56.3	Low	70.8	Confident	162 Å²	162	110.4 Å²	110.4	85%	0.848	62%	0.616	S	S	*	*			trans	-66.1	105.4	170	-75	160	0	0	0	106.8	G2 S6	G2-L4 PolarHBondContact O-N 3.29Å; L4-S6 PolarHBondContact O-N 3.04Å
5	L	60.1	Low	71.9	Confident	90 Å²	90	112.3 Å²	112.3	47%	0.471	61%	0.609	S	S	.	*			trans	-51	132.7	172.3	-69.8	162.9	0	0	0	109.1	C3 E9 K10	C3-L5 PolarHBondContact O-N 3.15Å; C3-L5 VanDerWaalsContact O-N 3.09Å; L5-E9 WeakPolarHBondContact CA-OE2 3.33Å; L5-E9 HydrophobicContact CB-CB 4.14Å; L5-E9 HydrophobicContact CD2-CB 3.94Å; L5-E9 HydrophobicContact CD2-CG 4.43Å; L5-K10 HydrophobicContact CB-CG 4.02Å
6	S	72.4	Confident	72.9	Confident	55 Å²	55	108.9 Å²	108.9	39%	0.385	60%	0.597	S	S	.	*			trans	-59.6	158.8	172.3	63.2	0	0	0	0	110.7	L4 D8 E9 K10	L4-S6 PolarHBondContact O-N 3.04Å; S6-D8 PolarHBondContact O-N 3.32Å; S6-E9 PolarHBondContact N-OE2 3.41Å; S6-E9 PolarHBondContact O-N 3.09Å; S6-E9 VanDerWaalsContact O-N 3.15Å; S6-E9 VanDerWaalsContact OG-CG 3.23Å; S6-E9 WeakPolarHBondContact OG-CG 3.23Å; S6-E9 PolarHBondContact OG-N 3.35Å; S6-E9 PolarHBondContact OG-OE2 3.02Å; S6-K10 PolarHBondContact O-N 3.35Å
7	I	78.4	Confident	73.7	Confident	130 Å²	130	110.8 Å²	110.8	67%	0.667	60%	0.598	S	S	*	*	H	α-helix	trans	-56	-42.6	178.8	-65.8	173	0	0	0	110	E9 K10 E11	I7-E9 PolarHBondContact O-N 2.83Å; I7-K10 PolarHBondContact O-N 2.98Å; I7-E11 PolarHBondContact O-N 2.92Å
8	D	79.9	Confident	74.4	Confident	118 Å²	118	111.2 Å²	111.2	63%	0.631	60%	0.595	S	S	*	*	H	α-helix	trans	-62.4	-40.3	178.3	-62.8	-20.6	0	0	0	112.5	S6 E11 A12	S6-D8 PolarHBondContact O-N 3.32Å; D8-E11 PolarHBondContact O-N 3.35Å; D8-A12 WeakPolarHBondContact O-CB 3.29Å; D8-A12 PolarHBondContact O-N 3.45Å
9	E	80.1	Confident	74.9	Confident	95 Å²	95	110.6 Å²	110.6	44%	0.444	59%	0.591	S	S	.	*	H	α-helix	trans	-67.2	-37.9	176.1	-75	168.5	148.3	0	0	112.1	L5 S6 I7 A12 V13	L5-E9 WeakPolarHBondContact CA-OE2 3.33Å; L5-E9 HydrophobicContact CB-CB 4.14Å; L5-E9 HydrophobicContact CD2-CB 3.94Å; L5-E9 HydrophobicContact CD2-CG 4.43Å; S6-E9 PolarHBondContact N-OE2 3.41Å; S6-E9 PolarHBondContact O-N 3.09Å; S6-E9 VanDerWaalsContact O-N 3.15Å; S6-E9 VanDerWaalsContact OG-CG 3.23Å; S6-E9 WeakPolarHBondContact OG-CG 3.23Å; S6-E9 PolarHBondContact OG-N 3.35Å; S6-E9 PolarHBondContact OG-OE2 3.02Å; I7-E9 PolarHBondContact O-N 2.83Å; E9-A12 PolarHBondContact O-N 3.42Å; E9-V13 WeakPolarHBondContact O-CB 3.49Å; E9-V13 VanDerWaalsContact O-CG2 3.29Å; E9-V13 WeakPolarHBondContact O-CG2 3.35Å; E9-V13 PolarHBondContact O-N 3.03Å
10	K	81.4	Confident	75.3	Confident	120 Å²	120	109.6 Å²	109.6	52%	0.522	59%	0.585	S	S	.	*	H	α-helix	trans	-63.8	-43.4	175	-71.3	-178.3	-177.6	176.6	0	111.4	L5 S6 I7 V13 Q14	L5-K10 HydrophobicContact CB-CG 4.02Å; S6-K10 PolarHBondContact O-N 3.35Å; I7-K10 PolarHBondContact O-N 2.98Å; K10-V13 PolarHBondContact O-N 3.46Å; K10-Q14 WeakPolarHBondContact O-CB 3.43Å; K10-Q14 PolarHBondContact O-N 3.21Å
11	E	85.1	Confident	75.5	Confident	96 Å²	96	107.3 Å²	107.3	45%	0.449	58%	0.582	S	S	.	*	H	α-helix	trans	-65.8	-37.5	175.6	-70.8	-173.7	177	0	0	112.4	I7 D8 Q14 R15	I7-E11 PolarHBondContact O-N 2.92Å; D8-E11 PolarHBondContact O-N 3.35Å; E11-Q14 PolarHBondContact O-N 3.46Å; E11-R15 WeakPolarHBondContact O-CB 3.41Å; E11-R15 WeakPolarHBondContact O-CG 3.27Å; E11-R15 PolarHBondContact O-N 2.89Å; E11-R15 PolarHBondContact O-NE 3.43Å; E11-R15 IonicContact OE2-NH2 3.45Å; E11-R15 PolarHBondContact OE2-NH2 3.02Å
12	A	83.6	Confident	77.3	Confident	51 Å²	51	98.8 Å²	98.8	42%	0.421	55%	0.546	S	S	.	.	H	α-helix	trans	-65.5	-44.2	175.7	0	0	0	0	0	111.8	D8 E9 Q14 R15 S16	D8-A12 WeakPolarHBondContact O-CB 3.29Å; D8-A12 PolarHBondContact O-N 3.45Å; E9-A12 PolarHBondContact O-N 3.42Å; A12-Q14 VanDerWaalsContact C-N 3.32Å; A12-Q14 PolarHBondContact O-N 3.44Å; A12-R15 PolarHBondContact O-N 3.4Å; A12-S16 WeakPolarHBondContact O-CB 3.34Å; A12-S16 PolarHBondContact O-N 3.35Å
13	V	85.4	Confident	78.5	Confident	68 Å²	68	100.4 Å²	100.4	41%	0.412	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-39.9	175	169.9	0	0	0	0	111.1	E9 K10 S16 K17	E9-V13 WeakPolarHBondContact O-CB 3.49Å; E9-V13 VanDerWaalsContact O-CG2 3.29Å; E9-V13 WeakPolarHBondContact O-CG2 3.35Å; E9-V13 PolarHBondContact O-N 3.03Å; K10-V13 PolarHBondContact O-N 3.46Å; V13-S16 PolarHBondContact O-N 2.91Å; V13-K17 HydrophobicContact CG1-CD 4.38Å; V13-K17 WeakPolarHBondContact O-CG 3.29Å; V13-K17 PolarHBondContact O-N 3.36Å
14	Q	86.5	Confident	79.3	Confident	122 Å²	122	101.2 Å²	101.2	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-67.9	-41.3	177.6	-168.7	168.4	-1.7	0	0	111.9	K10 E11 A12 K17 Q18	K10-Q14 WeakPolarHBondContact O-CB 3.43Å; K10-Q14 PolarHBondContact O-N 3.21Å; E11-Q14 PolarHBondContact O-N 3.46Å; A12-Q14 VanDerWaalsContact C-N 3.32Å; A12-Q14 PolarHBondContact O-N 3.44Å; Q14-K17 PolarHBondContact O-N 3.45Å; Q14-Q18 WeakPolarHBondContact O-CG 3.42Å; Q14-Q18 PolarHBondContact O-N 2.87Å
15	R	86.8	Confident	80.1	Confident	138 Å²	138	95.7 Å²	95.7	52%	0.521	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-45.8	171.9	-80.9	-178.4	-87	-157.8	-9.1	111.9	E11 A12 K17 Q18 I19	E11-R15 WeakPolarHBondContact O-CB 3.41Å; E11-R15 WeakPolarHBondContact O-CG 3.27Å; E11-R15 PolarHBondContact O-N 2.89Å; E11-R15 PolarHBondContact O-NE 3.43Å; E11-R15 IonicContact OE2-NH2 3.45Å; E11-R15 PolarHBondContact OE2-NH2 3.02Å; A12-R15 PolarHBondContact O-N 3.4Å; R15-K17 PolarHBondContact O-N 3.21Å; R15-Q18 PolarHBondContact O-N 3.46Å; R15-I19 VanDerWaalsContact O-CG1 3.29Å; R15-I19 WeakPolarHBondContact O-CG1 3.48Å; R15-I19 PolarHBondContact O-N 3.28Å
16	S	87.8	Confident	80.4	Confident	58 Å²	58	94.5 Å²	94.5	41%	0.406	49%	0.494	S	S	.	.	H	α-helix	trans	-58.8	-47.5	176.9	-169.2	0	0	0	0	111.5	A12 V13 Q18 I19 D20	A12-S16 WeakPolarHBondContact O-CB 3.34Å; A12-S16 PolarHBondContact O-N 3.35Å; V13-S16 PolarHBondContact O-N 2.91Å; S16-Q18 VanDerWaalsContact C-N 3.3Å; S16-Q18 PolarHBondContact O-N 2.99Å; S16-I19 WeakPolarHBondContact O-CB 3.39Å; S16-I19 PolarHBondContact O-N 2.89Å; S16-I19 VanDerWaalsContact O-N 3.15Å; S16-D20 VanDerWaalsContact O-CG 3.22Å; S16-D20 PolarHBondContact O-N 3.17Å
17	K	87.7	Confident	79.8	Confident	142 Å²	142	93.9 Å²	93.9	62%	0.617	50%	0.496	S	S	*	.	H	α-helix	trans	-62.3	-36.3	177.3	-74.3	180	179.2	-177.5	0	113	V13 Q14 R15 A21	V13-K17 HydrophobicContact CG1-CD 4.38Å; V13-K17 WeakPolarHBondContact O-CG 3.29Å; V13-K17 PolarHBondContact O-N 3.36Å; Q14-K17 PolarHBondContact O-N 3.45Å; R15-K17 PolarHBondContact O-N 3.21Å; K17-A21 VanDerWaalsContact O-CB 3.27Å; K17-A21 WeakPolarHBondContact O-CB 3.48Å; K17-A21 PolarHBondContact O-N 2.95Å
18	Q	86.3	Confident	79.1	Confident	118 Å²	118	93.2 Å²	93.2	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-67.6	-40.2	174.8	-75.8	174.6	-12.2	0	0	111.7	Q14 R15 S16 A21 S22	Q14-Q18 WeakPolarHBondContact O-CG 3.42Å; Q14-Q18 PolarHBondContact O-N 2.87Å; R15-Q18 PolarHBondContact O-N 3.46Å; S16-Q18 VanDerWaalsContact C-N 3.3Å; S16-Q18 PolarHBondContact O-N 2.99Å; Q18-A21 PolarHBondContact O-N 3.15Å; Q18-S22 WeakPolarHBondContact O-CB 3.26Å; Q18-S22 PolarHBondContact O-N 2.9Å
19	I	83.4	Confident	78.2	Confident	100 Å²	100	93.2 Å²	93.2	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-49.5	173.8	-67.6	163.9	0	0	0	109.8	R15 S16 A21 S22 L23	R15-I19 VanDerWaalsContact O-CG1 3.29Å; R15-I19 WeakPolarHBondContact O-CG1 3.48Å; R15-I19 PolarHBondContact O-N 3.28Å; S16-I19 WeakPolarHBondContact O-CB 3.39Å; S16-I19 PolarHBondContact O-N 2.89Å; S16-I19 VanDerWaalsContact O-N 3.15Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 2.93Å; I19-S22 WeakPolarHBondContact O-CB 3.43Å; I19-S22 PolarHBondContact O-N 2.85Å; I19-L23 HydrophobicContact CG2-CD1 3.78Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 VanDerWaalsContact O-CG 3.26Å; I19-L23 WeakPolarHBondContact O-CG 3.5Å; I19-L23 PolarHBondContact O-N 3.5Å
20	D	83.4	Confident	77.1	Confident	89 Å²	89	93.9 Å²	93.9	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-60.9	-41.4	179.4	-64.1	-29.3	0	0	0	112	S16 L23 K24	S16-D20 VanDerWaalsContact O-CG 3.22Å; S16-D20 PolarHBondContact O-N 3.17Å; D20-L23 PolarHBondContact O-N 3.47Å; D20-K24 WeakPolarHBondContact O-CB 3.43Å; D20-K24 PolarHBondContact O-N 3.39Å
21	A	79.5	Confident	76.3	Confident	62 Å²	62	90.1 Å²	90.1	51%	0.512	48%	0.481	S	S	.	.	H	α-helix	trans	-67.1	-40.1	175.8	0	0	0	0	0	112.2	K17 Q18 I19 K24 S25	K17-A21 VanDerWaalsContact O-CB 3.27Å; K17-A21 WeakPolarHBondContact O-CB 3.48Å; K17-A21 PolarHBondContact O-N 2.95Å; Q18-A21 PolarHBondContact O-N 3.15Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 2.93Å; A21-K24 PolarHBondContact O-N 3.47Å; A21-S25 WeakPolarHBondContact O-CB 3.24Å; A21-S25 PolarHBondContact O-N 2.75Å
22	S	76	Confident	76	Confident	60 Å²	60	93.9 Å²	93.9	42%	0.42	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-47.5	173.9	-165.9	0	0	0	0	110.6	Q18 I19 K24 S25 D26	Q18-S22 WeakPolarHBondContact O-CB 3.26Å; Q18-S22 PolarHBondContact O-N 2.9Å; I19-S22 WeakPolarHBondContact O-CB 3.43Å; I19-S22 PolarHBondContact O-N 2.85Å; S22-K24 VanDerWaalsContact C-N 3.33Å; S22-K24 PolarHBondContact O-N 2.81Å; S22-S25 PolarHBondContact O-N 3.48Å; S22-D26 VanDerWaalsContact O-CB 3.28Å; S22-D26 WeakPolarHBondContact O-CB 3.47Å; S22-D26 PolarHBondContact O-N 2.83Å; S22-D26 PolarHBondContact OG-OD2 2.96Å
23	L	74.8	Confident	76.2	Confident	110 Å²	110	93.5 Å²	93.5	58%	0.576	48%	0.481	S	S	*	.	H	α-helix	trans	-60.3	-40.7	178.2	-71.7	172.3	0	0	0	112	I19 D20 D26 G27	I19-L23 HydrophobicContact CG2-CD1 3.78Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 VanDerWaalsContact O-CG 3.26Å; I19-L23 WeakPolarHBondContact O-CG 3.5Å; I19-L23 PolarHBondContact O-N 3.5Å; D20-L23 PolarHBondContact O-N 3.47Å; L23-D26 PolarHBondContact O-N 2.91Å; L23-G27 PolarHBondContact O-N 3.24Å
24	K	71.6	Confident	76.6	Confident	142 Å²	142	90.3 Å²	90.3	62%	0.617	46%	0.462	S	S	*	.	H	α-helix	trans	-65.5	-48	175.1	-173.7	179.4	176.6	-176.4	0	111.8	D20 A21 S22 D26 G27 E28	D20-K24 WeakPolarHBondContact O-CB 3.43Å; D20-K24 PolarHBondContact O-N 3.39Å; A21-K24 PolarHBondContact O-N 3.47Å; S22-K24 VanDerWaalsContact C-N 3.33Å; S22-K24 PolarHBondContact O-N 2.81Å; K24-D26 VanDerWaalsContact C-N 3.3Å; K24-D26 PolarHBondContact O-N 2.92Å; K24-G27 PolarHBondContact O-N 3.26Å; K24-E28 VanDerWaalsContact CE-OE1 3.24Å; K24-E28 WeakPolarHBondContact CE-OE1 3.48Å; K24-E28 WeakPolarHBondContact O-CG 3.39Å; K24-E28 PolarHBondContact O-N 3.44Å
25	S	71.2	Confident	77	Confident	45 Å²	45	85.9 Å²	85.9	32%	0.315	44%	0.441	S	S	.	.	H	α-helix	trans	-59.2	-42.4	175.3	154.5	0	0	0	0	111.5	A21 S22 E28 K29	A21-S25 WeakPolarHBondContact O-CB 3.24Å; A21-S25 PolarHBondContact O-N 2.75Å; S22-S25 PolarHBondContact O-N 3.48Å; S25-E28 PolarHBondContact O-N 3.39Å; S25-K29 WeakPolarHBondContact O-CB 3.22Å; S25-K29 VanDerWaalsContact O-CG 3.3Å; S25-K29 WeakPolarHBondContact O-CG 3.38Å; S25-K29 PolarHBondContact O-N 3.34Å
26	D	68.1	Low	77.4	Confident	65 Å²	65	79.3 Å²	79.3	35%	0.348	42%	0.416	S	S	.	.	H	α-helix	trans	-69.1	-37.2	179.3	-66.1	-22.2	0	0	0	110.6	S22 L23 K24 K29 M30	S22-D26 VanDerWaalsContact O-CB 3.28Å; S22-D26 WeakPolarHBondContact O-CB 3.47Å; S22-D26 PolarHBondContact O-N 2.83Å; S22-D26 PolarHBondContact OG-OD2 2.96Å; L23-D26 PolarHBondContact O-N 2.91Å; K24-D26 VanDerWaalsContact C-N 3.3Å; K24-D26 PolarHBondContact O-N 2.92Å; D26-K29 PolarHBondContact O-N 3.45Å; D26-K29 IonicContact OD1-NZ 3.42Å; D26-M30 WeakPolarHBondContact O-CB 3.28Å; D26-M30 VanDerWaalsContact O-CG 3.22Å; D26-M30 WeakPolarHBondContact O-CG 3.3Å; D26-M30 PolarHBondContact O-N 2.63Å
27	G	58.2	Low	77.9	Confident	42 Å²	42	76.6 Å²	76.6	43%	0.433	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-46.5	170.2	0	0	0	0	0	113.1	L23 K24 K29 M30 A31	L23-G27 PolarHBondContact O-N 3.24Å; K24-G27 PolarHBondContact O-N 3.26Å; G27-K29 VanDerWaalsContact C-N 3.33Å; G27-K29 PolarHBondContact O-N 3.39Å; G27-M30 PolarHBondContact O-N 3.46Å; G27-A31 PolarHBondContact O-N 2.91Å
28	E	64.9	Low	78.4	Confident	117 Å²	117	69.8 Å²	69.8	55%	0.547	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-34.7	175.8	-72.1	175	-169.8	0	0	112.4	K24 S25	K24-E28 VanDerWaalsContact CE-OE1 3.24Å; K24-E28 WeakPolarHBondContact CE-OE1 3.48Å; K24-E28 WeakPolarHBondContact O-CG 3.39Å; K24-E28 PolarHBondContact O-N 3.44Å; S25-E28 PolarHBondContact O-N 3.39Å
29	K	60.9	Low	78.9	Confident	117 Å²	117	64.2 Å²	64.2	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-69.5	-41.5	171.7	-73.6	173.2	-170.4	168.8	0	111.8	S25 D26 G27 A31 R32 I33	S25-K29 WeakPolarHBondContact O-CB 3.22Å; S25-K29 VanDerWaalsContact O-CG 3.3Å; S25-K29 WeakPolarHBondContact O-CG 3.38Å; S25-K29 PolarHBondContact O-N 3.34Å; D26-K29 PolarHBondContact O-N 3.45Å; D26-K29 IonicContact OD1-NZ 3.42Å; G27-K29 VanDerWaalsContact C-N 3.33Å; G27-K29 PolarHBondContact O-N 3.39Å; K29-A31 VanDerWaalsContact C-N 3.28Å; K29-A31 PolarHBondContact O-N 2.79Å; K29-R32 WeakPolarHBondContact O-CA 3.15Å; K29-R32 WeakPolarHBondContact O-CB 3.5Å; K29-R32 PolarHBondContact O-N 3.23Å; K29-I33 PolarHBondContact O-N 2.98Å
30	M	57.4	Low	79.6	Confident	110 Å²	110	59.4 Å²	59.4	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-33	176.7	-74.7	-58.4	126.8	0	0	111.9	D26 G27 R32 I33	D26-M30 WeakPolarHBondContact O-CB 3.28Å; D26-M30 VanDerWaalsContact O-CG 3.22Å; D26-M30 WeakPolarHBondContact O-CG 3.3Å; D26-M30 PolarHBondContact O-N 2.63Å; G27-M30 PolarHBondContact O-N 3.46Å; M30-R32 PolarHBondContact O-N 2.97Å; M30-I33 HydrophobicContact CE-CD1 3.36Å; M30-I33 PolarHBondContact O-N 3.43Å; M30-I33 HydrophobicContact SD-CB 4.48Å; M30-I33 HydrophobicContact SD-CD1 3.9Å
31	A	63.8	Low	80.2	Confident	41 Å²	41	55.6 Å²	55.6	34%	0.339	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.3	171.3	0	0	0	0	0	113.3	G27 K29 N346	G27-A31 PolarHBondContact O-N 2.91Å; K29-A31 VanDerWaalsContact C-N 3.28Å; K29-A31 PolarHBondContact O-N 2.79Å; A31-N346 PolarHBondContact O-ND2 3.38Å; A31-N346 VanDerWaalsContact O-ND2 3.16Å
32	R	79.4	Confident	80.9	Confident	174 Å²	174	53.2 Å²	53.2	66%	0.657	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-3.2	176.2	-57	-176.2	-176.1	-177.6	2	114.1	K29 M30 I194 E195	K29-R32 WeakPolarHBondContact O-CA 3.15Å; K29-R32 WeakPolarHBondContact O-CB 3.5Å; K29-R32 PolarHBondContact O-N 3.23Å; M30-R32 PolarHBondContact O-N 2.97Å; R32-I194 WeakPolarHBondContact O-CG2 3.27Å; R32-E195 PolarHBondContact O-N 3.06Å
33	I	87.4	Confident	81.8	Confident	44 Å²	44	52.9 Å²	52.9	23%	0.226	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.7	178.2	-66.8	161.5	0	0	0	109.2	K29 M30 E195	K29-I33 PolarHBondContact O-N 2.98Å; M30-I33 HydrophobicContact CE-CD1 3.36Å; M30-I33 PolarHBondContact O-N 3.43Å; M30-I33 HydrophobicContact SD-CB 4.48Å; M30-I33 HydrophobicContact SD-CD1 3.9Å; I33-E195 CarbonylContact C-O 3.52Å; I33-E195 VanDerWaalsContact CA-O 3.26Å; I33-E195 WeakPolarHBondContact CA-O 3.46Å; I33-E195 HydrophobicContact CG1-CB 3.89Å
34	A	92.9	Very high	82.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.8	175.9	0	0	0	0	0	110	I194 E195 F196 R197 T219 I342	A34-I194 HydrophobicContact CB-CG2 3.71Å; A34-E195 PolarHBondContact N-O 2.95Å; A34-F196 HydrophobicContact CB-CD1 3.67Å; A34-F196 HydrophobicContact CB-CE1 3.67Å; A34-F196 WeakPolarHBondContact O-CA 3.4Å; A34-R197 PolarHBondContact O-N 2.78Å; A34-T219 WeakPolarHBondContact CA-OG1 3.42Å; A34-T219 HydrophobicContact CB-CG2 4.37Å; A34-I342 HydrophobicContact CB-CG2 3.87Å
35	K	94.9	Very high	84.1	Confident	30 Å²	30	41.4 Å²	41.4	13%	0.13	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.9	172.9	-176.7	179.8	173.4	-174.8	0	109.7	R197 V199 C214 Q216 D217 V218 T219 A220	K35-R197 CarbonylContact C-O 3.55Å; K35-R197 WeakPolarHBondContact CA-O 3.47Å; K35-V199 HydrophobicContact CG-CG2 4.38Å; K35-C214 WeakPolarHBondContact CE-O 3.4Å; K35-C214 PolarHBondContact NZ-O 3.41Å; K35-Q216 PolarHBondContact NZ-O 3.15Å; K35-D217 WeakPolarHBondContact CB-O 3.4Å; K35-V218 HydrophobicContact CD-CG2 4.33Å; K35-T219 PolarHBondContact N-OG1 3.03Å; K35-T219 WeakPolarHBondContact O-CA 3.49Å; K35-T219 WeakPolarHBondContact O-CB 3.35Å; K35-T219 PolarHBondContact O-N 3.16Å; K35-A220 PolarHBondContact O-N 2.95Å
36	L	96.3	Very high	85.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.1	176.8	-54.1	-179.5	0	0	0	109.5	F196 R197 L198 V199 A220 I222 F335 I342	L36-F196 HydrophobicContact CD1-CD1 3.47Å; L36-F196 VanDerWaalsContact CD1-CD1 3.47Å; L36-F196 HydrophobicContact CD1-CE1 3.78Å; L36-F196 HydrophobicContact CG-CD1 3.93Å; L36-F196 HydrophobicContact CG-CE1 4.35Å; L36-R197 PolarHBondContact N-O 3.49Å; L36-L198 HydrophobicContact CB-CD1 3.6Å; L36-L198 HydrophobicContact CB-CG 4.28Å; L36-L198 HydrophobicContact CD1-CD1 3.48Å; L36-L198 VanDerWaalsContact CD1-CD1 3.48Å; L36-L198 HydrophobicContact CG-CD1 3.97Å; L36-L198 WeakPolarHBondContact O-CA 3.47Å; L36-V199 PolarHBondContact O-N 2.96Å; L36-A220 WeakPolarHBondContact CA-O 3.26Å; L36-A220 HydrophobicContact CD2-CB 3.75Å; L36-I222 HydrophobicContact CB-CD1 4.38Å; L36-I222 HydrophobicContact CD1-CD1 4.18Å; L36-F335 HydrophobicContact CD1-CE2 3.83Å; L36-F335 HydrophobicContact CD1-CZ 4.15Å; L36-I342 HydrophobicContact CD2-CD1 4.07Å; L36-I342 HydrophobicContact CD2-CG1 4.45Å
37	L	97.4	Very high	86.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116	178.8	-175.6	60.6	0	0	0	110	L39 V199 C214 F215 V218 A220 I221 I222 F259	L37-L39 HydrophobicContact CD1-CD2 4.32Å; L37-L39 HydrophobicContact CD2-CD1 3.94Å; L37-L39 HydrophobicContact CD2-CD2 4.08Å; L37-L39 HydrophobicContact CD2-CG 4.1Å; L37-L39 HydrophobicContact CG-CD1 4.25Å; L37-L39 HydrophobicContact CG-CD2 3.91Å; L37-L39 HydrophobicContact CG-CG 3.88Å; L37-V199 HydrophobicContact CD1-CB 3.79Å; L37-V199 HydrophobicContact CD1-CG1 3.73Å; L37-C214 HydrophobicContact CD1-CB 3.67Å; L37-C214 HydrophobicContact CD2-CB 4.34Å; L37-F215 HydrophobicContact CD2-CD1 3.82Å; L37-F215 HydrophobicContact CD2-CE1 3.92Å; L37-V218 HydrophobicContact CB-CG1 3.85Å; L37-V218 HydrophobicContact CB-CG2 4.26Å; L37-V218 HydrophobicContact CD2-CG2 4.12Å; L37-A220 PolarHBondContact N-O 3.41Å; L37-I221 HydrophobicContact CB-CG1 4.44Å; L37-I221 WeakPolarHBondContact O-CA 3.49Å; L37-I222 PolarHBondContact O-N 2.7Å; L37-F259 HydrophobicContact CD2-CE1 4.5Å; L37-F259 HydrophobicContact CD2-CZ 4.11Å
38	L	97.8	Very high	88.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.3	176	-72.1	165.5	0	0	0	109.8	K46 I49 L50 L198 V199 D200 V201 I222 V224	L38-K46 HydrophobicContact CB-CB 4.23Å; L38-K46 HydrophobicContact CB-CD 4.17Å; L38-K46 HydrophobicContact CB-CG 4.23Å; L38-K46 WeakPolarHBondContact O-CD 3.24Å; L38-I49 HydrophobicContact CD2-CG2 4.39Å; L38-L50 HydrophobicContact CD1-CB 4.44Å; L38-L198 HydrophobicContact CD1-CD2 3.75Å; L38-L198 HydrophobicContact CD1-CG 4.27Å; L38-L198 HydrophobicContact CG-CD2 4.42Å; L38-V199 PolarHBondContact N-O 2.73Å; L38-D200 HydrophobicContact CD1-CB 4.19Å; L38-V201 WeakPolarHBondContact O-CG2 3.39Å; L38-I222 WeakPolarHBondContact CA-O 3.49Å; L38-I222 HydrophobicContact CD2-CB 3.71Å; L38-I222 HydrophobicContact CD2-CD1 4.17Å; L38-I222 HydrophobicContact CD2-CG2 3.68Å; L38-V224 HydrophobicContact CD2-CG2 4.22Å
39	L	97.9	Very high	90	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	162.4	178.7	-62.1	-179.6	0	0	0	111.3	L37 V201 W211 I221 I222 F223 V224 I253 F259	L37-L39 HydrophobicContact CD1-CD2 4.32Å; L37-L39 HydrophobicContact CD2-CD1 3.94Å; L37-L39 HydrophobicContact CD2-CD2 4.08Å; L37-L39 HydrophobicContact CD2-CG 4.1Å; L37-L39 HydrophobicContact CG-CD1 4.25Å; L37-L39 HydrophobicContact CG-CD2 3.91Å; L37-L39 HydrophobicContact CG-CG 3.88Å; L39-V201 HydrophobicContact CD2-CG2 3.65Å; L39-W211 HydrophobicContact CB-CH2 4.49Å; L39-W211 HydrophobicContact CB-CZ3 4.4Å; L39-W211 HydrophobicContact CD2-CD2 3.79Å; L39-W211 HydrophobicContact CD2-CE3 3.75Å; L39-W211 HydrophobicContact CD2-CG 4.27Å; L39-W211 HydrophobicContact CD2-CH2 4.32Å; L39-W211 HydrophobicContact CD2-CZ2 4.38Å; L39-W211 HydrophobicContact CD2-CZ3 4.01Å; L39-I221 HydrophobicContact CB-CG2 4.3Å; L39-I221 HydrophobicContact CD1-CD1 4.41Å; L39-I221 HydrophobicContact CD1-CG1 4.45Å; L39-I221 HydrophobicContact CD1-CG2 4Å; L39-I221 HydrophobicContact CG-CG2 4.29Å; L39-I222 PolarHBondContact N-O 3.23Å; L39-F223 HydrophobicContact CB-CD2 3.93Å; L39-F223 HydrophobicContact CB-CE2 4.39Å; L39-F223 CarbonylContact O-C 3.26Å; L39-F223 WeakPolarHBondContact O-CA 3.44Å; L39-V224 PolarHBondContact O-N 2.7Å; L39-I253 HydrophobicContact CD1-CD1 3.97Å; L39-I253 HydrophobicContact CD1-CG1 4.22Å; L39-I253 HydrophobicContact CD1-CG2 3.72Å; L39-F259 HydrophobicContact CD1-CE2 4.45Å
40	G	97.6	Very high	91.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.			trans	139.5	166.2	-178.3	0	0	0	0	0	112.2	K46 G203	G40-K46 PolarHBondContact O-NZ 3.44Å; G40-G203 WeakPolarHBondContact O-CA 3.25Å
41	A	96.4	Very high	93.4	Very high	8 Å²	8	22.9 Å²	22.9	7%	0.066	12%	0.119	C	C	.	.	S	Bend	trans	-59.1	166.2	-178.8	0	0	0	0	0	112.6	S44 K46 L249	A41-S44 PolarHBondContact O-N 2.88Å; A41-S44 PolarHBondContact O-OG 2.97Å; A41-K46 PolarHBondContact O-NZ 3.04Å; A41-L249 HydrophobicContact CB-CD2 4.45Å
42	G	94.3	Very high	94.9	Very high	12 Å²	12	20.9 Å²	20.9	12%	0.124	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	145.2	169.6	0	0	0	0	0	110.2	S44 G203	G42-S44 PolarHBondContact O-N 3.08Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 2.98Å
43	E	94.7	Very high	95.6	Very high	53 Å²	53	12.7 Å²	12.7	25%	0.248	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	1.2	173.3	-37.1	-159	131.8	0	0	116.4	G45 R178 R242 K270	E43-G45 PolarHBondContact O-N 3.17Å; E43-G45 VanDerWaalsContact O-N 3.08Å; E43-R178 IonicContact OE1-CZ 3.3Å; E43-R178 VanDerWaalsContact OE1-CZ 3.27Å; E43-R178 IonicContact OE1-NE 3.1Å; E43-R178 PolarHBondContact OE1-NE 3.26Å; E43-R178 IonicContact OE1-NH2 3.46Å; E43-R178 PolarHBondContact OE1-NH2 2.98Å; E43-R242 IonicContact OE2-CZ 3.27Å; E43-R242 IonicContact OE2-NH1 2.97Å; E43-R242 PolarHBondContact OE2-NH1 3.46Å; E43-R242 IonicContact OE2-NH2 3.58Å; E43-R242 PolarHBondContact OE2-NH2 3.38Å; E43-K270 WeakPolarHBondContact O-CE 3.42Å; E43-K270 PolarHBondContact O-NZ 2.88Å
44	S	97.5	Very high	95.8	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.014	7%	0.071	C	C	.	.	S	Bend	trans	-64	-17.9	-179.7	68.4	0	0	0	0	115.2	A41 G42 K46 V224 N269	A41-S44 PolarHBondContact O-N 2.88Å; A41-S44 PolarHBondContact O-OG 2.97Å; G42-S44 PolarHBondContact O-N 3.08Å; S44-K46 PolarHBondContact OG-NZ 3.4Å; S44-V224 WeakPolarHBondContact CB-O 3.01Å; S44-V224 VanDerWaalsContact O-CG1 3.24Å; S44-V224 WeakPolarHBondContact O-CG1 3.36Å; S44-V224 PolarHBondContact OG-O 3.31Å; S44-N269 PolarHBondContact O-ND2 3.44Å
45	G	97	Very high	95.8	Very high	9 Å²	9	13.7 Å²	13.7	9%	0.093	8%	0.076	C	C	.	.	S	Bend	trans	108.8	11.5	176.6	0	0	0	0	0	115.8	E43 S47 T48 I49	E43-G45 PolarHBondContact O-N 3.17Å; E43-G45 VanDerWaalsContact O-N 3.08Å; G45-S47 PolarHBondContact O-N 3.29Å; G45-T48 WeakPolarHBondContact O-CB 3.16Å; G45-T48 PolarHBondContact O-N 2.79Å; G45-T48 VanDerWaalsContact O-N 3.12Å; G45-I49 PolarHBondContact O-N 2.93Å
46	K	97.2	Very high	95.6	Very high	9 Å²	9	14 Å²	14	4%	0.039	8%	0.078	C	C	.	.	H	α-helix	trans	-51.3	-55.8	176.6	-63.9	-178.9	-65.8	-66	0	113.6	L38 G40 A41 S44 T48 I49 L50 D200 V201 V224	L38-K46 HydrophobicContact CB-CB 4.23Å; L38-K46 HydrophobicContact CB-CD 4.17Å; L38-K46 HydrophobicContact CB-CG 4.23Å; L38-K46 WeakPolarHBondContact O-CD 3.24Å; G40-K46 PolarHBondContact O-NZ 3.44Å; A41-K46 PolarHBondContact O-NZ 3.04Å; S44-K46 PolarHBondContact OG-NZ 3.4Å; K46-T48 PolarHBondContact O-N 2.84Å; K46-I49 WeakPolarHBondContact O-CB 3.36Å; K46-I49 PolarHBondContact O-N 3.35Å; K46-I49 VanDerWaalsContact O-N 3.08Å; K46-L50 PolarHBondContact O-N 3.2Å; K46-D200 VanDerWaalsContact CB-OD1 3.25Å; K46-D200 WeakPolarHBondContact CB-OD1 3.49Å; K46-V201 WeakPolarHBondContact CE-O 3.29Å; K46-V224 HydrophobicContact CG-CB 4Å; K46-V224 HydrophobicContact CG-CG2 3.82Å
47	S	96.7	Very high	95.3	Very high	29 Å²	29	15.9 Å²	15.9	20%	0.203	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-27	-179.7	-46.2	0	0	0	0	112.1	G45 L50 K51 T181 D200	G45-S47 PolarHBondContact O-N 3.29Å; S47-L50 PolarHBondContact O-N 3.37Å; S47-K51 VanDerWaalsContact O-CG 3.24Å; S47-K51 WeakPolarHBondContact O-CG 3.39Å; S47-K51 PolarHBondContact O-N 2.96Å; S47-T181 PolarHBondContact OG-OG1 2.72Å; S47-D200 WeakPolarHBondContact CA-OD2 3.39Å; S47-D200 WeakPolarHBondContact CB-OD2 3.36Å; S47-D200 PolarHBondContact OG-OD2 3.19Å
48	T	96.8	Very high	94.6	Very high	27 Å²	27	19.5 Å²	19.5	17%	0.166	10%	0.104	C	C	.	.	H	α-helix	trans	-69	-41.6	173	-52.4	0	0	0	0	111.2	G45 K46 L50 K51 Q52 L175 A325 T326	G45-T48 WeakPolarHBondContact O-CB 3.16Å; G45-T48 PolarHBondContact O-N 2.79Å; G45-T48 VanDerWaalsContact O-N 3.12Å; K46-T48 PolarHBondContact O-N 2.84Å; T48-L50 VanDerWaalsContact C-N 3.3Å; T48-L50 PolarHBondContact O-N 2.93Å; T48-K51 PolarHBondContact O-N 3.12Å; T48-Q52 WeakPolarHBondContact O-CB 3.41Å; T48-Q52 PolarHBondContact O-N 2.93Å; T48-L175 HydrophobicContact CG2-CB 4.35Å; T48-L175 HydrophobicContact CG2-CD2 4.02Å; T48-A325 HydrophobicContact CG2-CB 3.64Å; T48-T326 HydrophobicContact CG2-CG2 3.9Å
49	I	96.5	Very high	93.9	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-42.9	172.5	-67.4	158.4	0	0	0	110.6	L38 G45 K46 Q52 L53 V224 F267 A325 I331	L38-I49 HydrophobicContact CD2-CG2 4.39Å; G45-I49 PolarHBondContact O-N 2.93Å; K46-I49 WeakPolarHBondContact O-CB 3.36Å; K46-I49 PolarHBondContact O-N 3.35Å; K46-I49 VanDerWaalsContact O-N 3.08Å; I49-Q52 PolarHBondContact O-N 3Å; I49-L53 HydrophobicContact CG2-CD1 3.97Å; I49-L53 HydrophobicContact CG2-CG 4.44Å; I49-L53 WeakPolarHBondContact O-CG 3.39Å; I49-L53 PolarHBondContact O-N 2.71Å; I49-V224 HydrophobicContact CD1-CB 4.45Å; I49-V224 HydrophobicContact CD1-CG1 3.92Å; I49-V224 HydrophobicContact CD1-CG2 3.6Å; I49-F267 HydrophobicContact CD1-CD2 3.78Å; I49-F267 HydrophobicContact CD1-CE2 4.36Å; I49-A325 HydrophobicContact CG1-CB 3.82Å; I49-I331 HydrophobicContact CG1-CD1 4.35Å
50	L	94.7	Very high	93.5	Very high	16 Å²	16	26.8 Å²	26.8	8%	0.084	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-47.9	176.5	-171.4	71.7	0	0	0	112	L38 K46 S47 T48 Q52 L53 K54 L198 D200	L38-L50 HydrophobicContact CD1-CB 4.44Å; K46-L50 PolarHBondContact O-N 3.2Å; S47-L50 PolarHBondContact O-N 3.37Å; T48-L50 VanDerWaalsContact C-N 3.3Å; T48-L50 PolarHBondContact O-N 2.93Å; L50-Q52 VanDerWaalsContact C-N 3.3Å; L50-Q52 PolarHBondContact O-N 3.12Å; L50-L53 PolarHBondContact O-N 3.46Å; L50-K54 PolarHBondContact O-N 2.79Å; L50-K54 VanDerWaalsContact O-N 3.08Å; L50-L198 HydrophobicContact CD1-CB 3.78Å; L50-L198 HydrophobicContact CD1-CD2 3.55Å; L50-L198 HydrophobicContact CD1-CG 4.26Å; L50-D200 HydrophobicContact CD2-CB 3.97Å
51	K	94.6	Very high	93.2	Very high	24 Å²	24	27.9 Å²	27.9	10%	0.104	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-41.1	174.5	-68.7	172.1	177.3	-178.9	0	111.8	S47 T48 K54 I55 Y61 V174 L175 T177	S47-K51 VanDerWaalsContact O-CG 3.24Å; S47-K51 WeakPolarHBondContact O-CG 3.39Å; S47-K51 PolarHBondContact O-N 2.96Å; T48-K51 PolarHBondContact O-N 3.12Å; K51-K54 WeakPolarHBondContact O-CB 3.37Å; K51-K54 PolarHBondContact O-N 2.77Å; K51-I55 PolarHBondContact O-N 2.83Å; K51-I55 VanDerWaalsContact O-N 3.15Å; K51-Y61 WeakPolarHBondContact CA-OH 3.46Å; K51-Y61 WeakPolarHBondContact CB-OH 3.34Å; K51-Y61 VanDerWaalsContact CG-OH 3.23Å; K51-Y61 WeakPolarHBondContact CG-OH 3.47Å; K51-V174 HydrophobicContact CD-CG1 4.4Å; K51-V174 PolarHBondContact NZ-O 3.08Å; K51-L175 HydrophobicContact CB-CD2 3.76Å; K51-T177 PolarHBondContact NZ-O 2.86Å; K51-T177 PolarHBondContact NZ-OG1 3.12Å
52	Q	94.9	Very high	93.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-39.6	179.9	-168.5	64.2	68.1	0	0	112	T48 I49 L50 K54 I55 I56 L175 A325 T328 I331	T48-Q52 WeakPolarHBondContact O-CB 3.41Å; T48-Q52 PolarHBondContact O-N 2.93Å; I49-Q52 PolarHBondContact O-N 3Å; L50-Q52 VanDerWaalsContact C-N 3.3Å; L50-Q52 PolarHBondContact O-N 3.12Å; Q52-K54 VanDerWaalsContact C-N 3.32Å; Q52-I55 WeakPolarHBondContact O-CB 3.23Å; Q52-I55 PolarHBondContact O-N 2.88Å; Q52-I56 HydrophobicContact CG-CD1 4Å; Q52-I56 VanDerWaalsContact O-CG1 3.27Å; Q52-I56 WeakPolarHBondContact O-CG1 3.44Å; Q52-I56 PolarHBondContact O-N 3Å; Q52-L175 HydrophobicContact CB-CD2 4.05Å; Q52-A325 PolarHBondContact OE1-O 3.4Å; Q52-T328 PolarHBondContact NE2-OG1 3.28Å; Q52-I331 HydrophobicContact CB-CG2 4.18Å; Q52-I331 HydrophobicContact CG-CB 3.67Å; Q52-I331 HydrophobicContact CG-CG1 3.88Å; Q52-I331 HydrophobicContact CG-CG2 3.69Å
53	L	93.4	Very high	93.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-68.1	-32.2	175.5	-70.9	169.6	0	0	0	112.4	I49 L50 I56 H57 F189 L198 I331 F335	I49-L53 HydrophobicContact CG2-CD1 3.97Å; I49-L53 HydrophobicContact CG2-CG 4.44Å; I49-L53 WeakPolarHBondContact O-CG 3.39Å; I49-L53 PolarHBondContact O-N 2.71Å; L50-L53 PolarHBondContact O-N 3.46Å; L53-I56 PolarHBondContact O-N 3.47Å; L53-H57 WeakPolarHBondContact O-CB 3.41Å; L53-H57 PolarHBondContact O-N 3.11Å; L53-F189 HydrophobicContact CB-CE1 4.43Å; L53-F189 HydrophobicContact CB-CZ 4.42Å; L53-F189 HydrophobicContact CD1-CZ 4.25Å; L53-L198 HydrophobicContact CD1-CD1 4.31Å; L53-L198 HydrophobicContact CD1-CD2 3.33Å; L53-L198 HydrophobicContact CD1-CG 4.49Å; L53-I331 HydrophobicContact CD2-CG2 4.23Å; L53-I331 HydrophobicContact CG-CG2 4.48Å; L53-F335 HydrophobicContact CD1-CD2 3.97Å; L53-F335 HydrophobicContact CD1-CE2 3.89Å; L53-F335 HydrophobicContact CD2-CB 3.96Å; L53-F335 HydrophobicContact CD2-CD1 3.94Å; L53-F335 HydrophobicContact CD2-CD2 3.5Å; L53-F335 HydrophobicContact CD2-CE1 4.37Å; L53-F335 HydrophobicContact CD2-CE2 3.97Å; L53-F335 HydrophobicContact CD2-CG 3.5Å; L53-F335 VanDerWaalsContact CD2-CG 3.5Å; L53-F335 HydrophobicContact CD2-CZ 4.39Å; L53-F335 HydrophobicContact CG-CD2 4.4Å
54	K	91.6	Very high	93.2	Very high	45 Å²	45	41 Å²	41	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-49.7	168.3	176.2	175	176.6	173.7	0	111	L50 K51 Q52 I56 H57 Q58 Y61 E65	L50-K54 PolarHBondContact O-N 2.79Å; L50-K54 VanDerWaalsContact O-N 3.08Å; K51-K54 WeakPolarHBondContact O-CB 3.37Å; K51-K54 PolarHBondContact O-N 2.77Å; Q52-K54 VanDerWaalsContact C-N 3.32Å; K54-I56 VanDerWaalsContact C-N 3.3Å; K54-I56 PolarHBondContact O-N 3.23Å; K54-H57 PolarHBondContact O-N 3.44Å; K54-Q58 HydrophobicContact CG-CB 4.13Å; K54-Q58 CarbonylContact O-C 3.42Å; K54-Q58 WeakPolarHBondContact O-CA 3.31Å; K54-Q58 WeakPolarHBondContact O-CB 3.38Å; K54-Q58 PolarHBondContact O-N 3.48Å; K54-Y61 HydrophobicContact CD-CD1 4.41Å; K54-Y61 HydrophobicContact CD-CE1 3.79Å; K54-E65 IonicContact NZ-OE1 2.7Å; K54-E65 PolarHBondContact NZ-OE1 2.6Å; K54-E65 IonicContact NZ-OE2 3.98Å
55	I	92.8	Very high	93.1	Very high	20 Å²	20	43.8 Å²	43.8	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-44.2	177.2	-66.1	164.9	0	0	0	111.2	K51 Q52 Y61 D171 L175	K51-I55 PolarHBondContact O-N 2.83Å; K51-I55 VanDerWaalsContact O-N 3.15Å; Q52-I55 WeakPolarHBondContact O-CB 3.23Å; Q52-I55 PolarHBondContact O-N 2.88Å; I55-Y61 HydrophobicContact CD1-CD2 4.19Å; I55-Y61 HydrophobicContact CD1-CE2 3.92Å; I55-Y61 HydrophobicContact CG1-CD2 3.83Å; I55-Y61 HydrophobicContact CG1-CE2 3.67Å; I55-D171 HydrophobicContact CD1-CB 3.95Å; I55-L175 HydrophobicContact CD1-CD1 3.8Å; I55-L175 HydrophobicContact CD1-CD2 4.02Å; I55-L175 HydrophobicContact CD1-CG 3.95Å
56	I	92	Very high	93.1	Very high	35 Å²	35	43.8 Å²	43.8	18%	0.179	23%	0.225	C	C	.	.	H	α-helix	trans	-72.5	-39.2	-175.6	-63.8	162.8	0	0	0	112.2	Q52 L53 K54 T328 I331 Q332	Q52-I56 HydrophobicContact CG-CD1 4Å; Q52-I56 VanDerWaalsContact O-CG1 3.27Å; Q52-I56 WeakPolarHBondContact O-CG1 3.44Å; Q52-I56 PolarHBondContact O-N 3Å; L53-I56 PolarHBondContact O-N 3.47Å; K54-I56 VanDerWaalsContact C-N 3.3Å; K54-I56 PolarHBondContact O-N 3.23Å; I56-T328 HydrophobicContact CD1-CG2 4.41Å; I56-T328 HydrophobicContact CG1-CG2 3.91Å; I56-I331 HydrophobicContact CD1-CB 4.22Å; I56-I331 HydrophobicContact CD1-CG2 3.85Å; I56-Q332 HydrophobicContact CD1-CB 4.02Å; I56-Q332 HydrophobicContact CG2-CB 4.47Å; I56-Q332 HydrophobicContact CG2-CG 4.19Å
57	H	88.9	Confident	93	Very high	41 Å²	41	46.8 Å²	46.8	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-117.5	-18.3	-166.9	-60.3	-58.3	0	0	0	115.8	L53 K54 F189 Y191 F335	L53-H57 WeakPolarHBondContact O-CB 3.41Å; L53-H57 PolarHBondContact O-N 3.11Å; K54-H57 PolarHBondContact O-N 3.44Å; H57-F189 HydrophobicContact CB-CB 4.38Å; H57-F189 HydrophobicContact CB-CD2 3.81Å; H57-F189 HydrophobicContact CB-CE2 4.4Å; H57-F189 HydrophobicContact CB-CG 4.24Å; H57-F189 AromaticContact CD2-CD2 3.79Å; H57-F189 AromaticContact CD2-CE2 3.46Å; H57-F189 VanDerWaalsContact CD2-CE2 3.46Å; H57-F189 WeakPolarHBondContact CD2-CE2 3.22Å; H57-F189 AromaticContact CG-CD2 3.86Å; H57-Y191 AromaticContact CE1-CD2 3.22Å; H57-Y191 WeakPolarHBondContact CE1-CD2 3.41Å; H57-Y191 AromaticContact CE1-CE2 3.41Å; H57-Y191 VanDerWaalsContact CE1-CE2 3.41Å; H57-Y191 WeakPolarHBondContact CE1-CE2 2.97Å; H57-Y191 AromaticContact CE1-CG 3.54Å; H57-Y191 AromaticContact CE1-CZ 3.86Å; H57-Y191 AromaticContact ND1-CD2 3.37Å; H57-Y191 WeakPolarHBondContact ND1-CD2 3.49Å; H57-Y191 AromaticContact ND1-CE2 3.82Å; H57-Y191 AromaticContact ND1-CG 3.91Å; H57-F335 AromaticContact NE2-CD1 3.43Å; H57-F335 WeakPolarHBondContact NE2-CD1 3.42Å; H57-F335 AromaticContact NE2-CE1 3.72Å
58	Q	84.2	Confident	92.9	Very high	75 Å²	75	51.8 Å²	51.8	35%	0.35	27%	0.265	S	S	.	.	S	Bend	trans	-118.6	16.8	-176.5	-65.7	-176.5	-14.9	0	0	113.1	K54 Q188 F189	K54-Q58 HydrophobicContact CG-CB 4.13Å; K54-Q58 CarbonylContact O-C 3.42Å; K54-Q58 WeakPolarHBondContact O-CA 3.31Å; K54-Q58 WeakPolarHBondContact O-CB 3.38Å; K54-Q58 PolarHBondContact O-N 3.48Å; Q58-Q188 PolarHBondContact NE2-O 3.04Å; Q58-F189 HydrophobicContact CG-CB 4.06Å
59	S	82.6	Confident	92.9	Very high	90 Å²	90	53 Å²	53	63%	0.629	27%	0.267	S	S	*	.			trans	73.8	151.9	-168.5	-39.3	0	0	0	0	113
60	S	88.6	Confident	92.9	Very high	64 Å²	64	54.7 Å²	54.7	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	-52.6	161.3	171.7	-80	0	0	0	0	112.2	T62 D171	S60-T62 PolarHBondContact O-N 3.32Å; S60-D171 VanDerWaalsContact CB-OD2 3.26Å; S60-D171 WeakPolarHBondContact CB-OD2 3.46Å; S60-D171 PolarHBondContact OG-OD2 2.85Å
61	Y	92.2	Very high	93	Very high	22 Å²	22	55.9 Å²	55.9	9%	0.086	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-60.4	134.5	177.2	-71.4	-91.7	0	0	0	110.7	K51 K54 I55 E65 C66 Y69 D171 V174	K51-Y61 WeakPolarHBondContact CA-OH 3.46Å; K51-Y61 WeakPolarHBondContact CB-OH 3.34Å; K51-Y61 VanDerWaalsContact CG-OH 3.23Å; K51-Y61 WeakPolarHBondContact CG-OH 3.47Å; K54-Y61 HydrophobicContact CD-CD1 4.41Å; K54-Y61 HydrophobicContact CD-CE1 3.79Å; I55-Y61 HydrophobicContact CD1-CD2 4.19Å; I55-Y61 HydrophobicContact CD1-CE2 3.92Å; I55-Y61 HydrophobicContact CG1-CD2 3.83Å; I55-Y61 HydrophobicContact CG1-CE2 3.67Å; Y61-E65 HydrophobicContact CD1-CB 4.06Å; Y61-C66 VanDerWaalsContact CB-SG 3.53Å; Y61-Y69 HydrophobicContact CD1-CE2 4.33Å; Y61-Y69 HydrophobicContact CE1-CE2 4.04Å; Y61-D171 WeakPolarHBondContact CD2-OD1 3.15Å; Y61-D171 PolarHBondContact N-OD1 2.89Å; Y61-V174 HydrophobicContact CD1-CG1 4.35Å; Y61-V174 HydrophobicContact CD2-CG1 4.08Å; Y61-V174 HydrophobicContact CE1-CG1 4Å; Y61-V174 HydrophobicContact CE2-CG1 3.72Å; Y61-V174 HydrophobicContact CG-CG1 4.39Å
62	T	94.5	Very high	93.1	Very high	67 Å²	67	56.4 Å²	56.4	41%	0.411	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.1	160.8	172.3	59.1	0	0	0	0	110.4	S60 E64 E65 C66	S60-T62 PolarHBondContact O-N 3.32Å; T62-E64 PolarHBondContact O-N 2.89Å; T62-E65 PolarHBondContact N-OE2 3.45Å; T62-E65 PolarHBondContact O-N 2.88Å; T62-E65 VanDerWaalsContact O-N 3.17Å; T62-E65 WeakPolarHBondContact OG1-CB 3.47Å; T62-E65 VanDerWaalsContact OG1-CD 3.26Å; T62-E65 WeakPolarHBondContact OG1-CG 3.36Å; T62-E65 PolarHBondContact OG1-N 3.02Å; T62-E65 PolarHBondContact OG1-OE2 3.04Å; T62-C66 PolarHBondContact O-N 2.69Å; T62-C66 PolarHBondContact O-SG 3.27Å
63	R	94.9	Very high	93.2	Very high	157 Å²	157	56.4 Å²	56.4	59%	0.592	29%	0.288	S	S	*	.	H	α-helix	trans	-57.2	-41.2	178	-175.3	-177	-179.8	-153.1	1.3	111.5	C66 L67 I168	R63-C66 PolarHBondContact O-N 2.61Å; R63-L67 WeakPolarHBondContact O-CG 3.4Å; R63-L67 PolarHBondContact O-N 2.82Å; R63-I168 HydrophobicContact CG-CD1 4.13Å; R63-I168 HydrophobicContact CG-CG2 4.45Å; R63-I168 VanDerWaalsContact NE-CD1 3.32Å
64	E	95.6	Very high	93.4	Very high	126 Å²	126	56.7 Å²	56.7	59%	0.589	29%	0.289	S	S	*	.	H	α-helix	trans	-63.5	-43.8	179.1	-65.7	67.7	-148.1	0	0	110.9	T62 L67 L68	T62-E64 PolarHBondContact O-N 2.89Å; E64-L67 PolarHBondContact O-N 2.82Å; E64-L68 PolarHBondContact O-N 2.83Å
65	E	95.3	Very high	93.6	Very high	60 Å²	60	56.5 Å²	56.5	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-66.7	-42	175.9	-69.9	169.4	130.1	0	0	112.2	K54 Y61 T62 L67 L68 Y69	K54-E65 IonicContact NZ-OE1 2.7Å; K54-E65 PolarHBondContact NZ-OE1 2.6Å; K54-E65 IonicContact NZ-OE2 3.98Å; Y61-E65 HydrophobicContact CD1-CB 4.06Å; T62-E65 PolarHBondContact N-OE2 3.45Å; T62-E65 PolarHBondContact O-N 2.88Å; T62-E65 VanDerWaalsContact O-N 3.17Å; T62-E65 WeakPolarHBondContact OG1-CB 3.47Å; T62-E65 VanDerWaalsContact OG1-CD 3.26Å; T62-E65 WeakPolarHBondContact OG1-CG 3.36Å; T62-E65 PolarHBondContact OG1-N 3.02Å; T62-E65 PolarHBondContact OG1-OE2 3.04Å; E65-L67 VanDerWaalsContact C-N 3.28Å; E65-L67 PolarHBondContact O-N 3.22Å; E65-L68 WeakPolarHBondContact O-CB 3.5Å; E65-L68 PolarHBondContact O-N 2.87Å; E65-L68 VanDerWaalsContact O-N 3.12Å; E65-Y69 WeakPolarHBondContact O-CD2 3.29Å
66	C	96.6	Very high	93.8	Very high	8 Å²	8	56.4 Å²	56.4	5%	0.054	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-40.8	175.2	-75.4	0	0	0	0	111.9	Y61 T62 R63 L68 Y69 I168 P169	Y61-C66 VanDerWaalsContact CB-SG 3.53Å; T62-C66 PolarHBondContact O-N 2.69Å; T62-C66 PolarHBondContact O-SG 3.27Å; R63-C66 PolarHBondContact O-N 2.61Å; C66-L68 PolarHBondContact O-N 2.96Å; C66-Y69 PolarHBondContact O-N 3.31Å; C66-I168 HydrophobicContact CB-CG2 3.88Å; C66-P169 HydrophobicContact CB-CB 4.4Å; C66-P169 VanDerWaalsContact CB-O 3.26Å; C66-P169 WeakPolarHBondContact CB-O 3.46Å; C66-P169 WeakPolarHBondContact O-CD 3.07Å; C66-P169 WeakPolarHBondContact O-CG 3.26Å; C66-P169 PolarHBondContact SG-O 3.2Å
67	L	95.7	Very high	94.1	Very high	73 Å²	73	54.9 Å²	54.9	38%	0.382	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-32.3	177.1	-76.8	169.4	0	0	0	112.7	R63 E64 E65 Y69 K70 I168	R63-L67 WeakPolarHBondContact O-CG 3.4Å; R63-L67 PolarHBondContact O-N 2.82Å; E64-L67 PolarHBondContact O-N 2.82Å; E65-L67 VanDerWaalsContact C-N 3.28Å; E65-L67 PolarHBondContact O-N 3.22Å; L67-Y69 PolarHBondContact O-N 3.02Å; L67-K70 WeakPolarHBondContact O-CB 3.31Å; L67-K70 PolarHBondContact O-N 3.11Å; L67-K70 VanDerWaalsContact O-N 3.14Å; L67-I168 HydrophobicContact CD2-CG1 4.11Å
68	L	95.5	Very high	94.5	Very high	133 Å²	133	53 Å²	53	70%	0.696	28%	0.277	S	S	*	.	H	α-helix	trans	-65.8	-22.7	175.3	-61.2	175.7	0	0	0	112.9	E64 E65 C66	E64-L68 PolarHBondContact O-N 2.83Å; E65-L68 WeakPolarHBondContact O-CB 3.5Å; E65-L68 PolarHBondContact O-N 2.87Å; E65-L68 VanDerWaalsContact O-N 3.12Å; C66-L68 PolarHBondContact O-N 2.96Å
69	Y	96.6	Very high	95.1	Very high	54 Å²	54	53.3 Å²	53.3	21%	0.212	28%	0.278	C	S	.	.	H	α-helix	trans	-85.1	-11.9	175.7	-75.8	-82.6	0	0	0	113.7	Y61 E65 C66 L67 V72 V73 V174 T177	Y61-Y69 HydrophobicContact CD1-CE2 4.33Å; Y61-Y69 HydrophobicContact CE1-CE2 4.04Å; E65-Y69 WeakPolarHBondContact O-CD2 3.29Å; C66-Y69 PolarHBondContact O-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.02Å; Y69-V72 WeakPolarHBondContact O-CA 3.29Å; Y69-V72 WeakPolarHBondContact O-CB 3.48Å; Y69-V72 PolarHBondContact O-N 3.16Å; Y69-V73 WeakPolarHBondContact O-CG2 3.21Å; Y69-V73 PolarHBondContact O-N 3.02Å; Y69-V174 HydrophobicContact CD1-CG1 4.18Å; Y69-V174 HydrophobicContact CD2-CB 4.33Å; Y69-V174 HydrophobicContact CD2-CG1 3.77Å; Y69-V174 HydrophobicContact CD2-CG2 3.69Å; Y69-V174 HydrophobicContact CE1-CG1 4.02Å; Y69-V174 HydrophobicContact CE2-CG1 3.57Å; Y69-V174 HydrophobicContact CE2-CG2 4.32Å; Y69-V174 HydrophobicContact CG-CB 4.39Å; Y69-V174 HydrophobicContact CG-CG1 4.07Å; Y69-V174 HydrophobicContact CG-CG2 3.87Å; Y69-T177 HydrophobicContact CD1-CG2 4.21Å
70	K	96.2	Very high	95.8	Very high	36 Å²	36	49.1 Å²	49.1	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-47	-176.7	-177.2	171.8	-179.5	164.2	0	113.1	L67 V72 V73 Y74 G117 Y167 P169	L67-K70 WeakPolarHBondContact O-CB 3.31Å; L67-K70 PolarHBondContact O-N 3.11Å; L67-K70 VanDerWaalsContact O-N 3.14Å; K70-V72 VanDerWaalsContact C-N 3.27Å; K70-V72 PolarHBondContact O-N 2.89Å; K70-V73 PolarHBondContact O-N 3.3Å; K70-Y74 HydrophobicContact CD-CE2 4.4Å; K70-Y74 VanDerWaalsContact CE-OH 3.25Å; K70-Y74 WeakPolarHBondContact CE-OH 3.02Å; K70-Y74 HydrophobicContact CG-CD2 4.36Å; K70-Y74 HydrophobicContact CG-CE2 3.89Å; K70-Y74 PolarHBondContact O-N 2.84Å; K70-Y74 VanDerWaalsContact O-N 3.17Å; K70-G117 WeakPolarHBondContact CE-O 3.43Å; K70-Y167 HydrophobicContact CD-CD1 4.39Å; K70-Y167 HydrophobicContact CG-CD1 4.37Å; K70-Y167 HydrophobicContact CG-CE1 4.38Å; K70-Y167 PolarHBondContact NZ-O 2.99Å; K70-P169 HydrophobicContact CB-CG 3.89Å
71	P	96	Very high	96.3	Very high	41 Å²	41	46.1 Å²	46.1	27%	0.266	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-35.3	173.6	-20.6	32.1	0	0	0	113.4	S75 A115	P71-S75 WeakPolarHBondContact O-CB 3.28Å; P71-S75 PolarHBondContact O-N 3.32Å; P71-A115 WeakPolarHBondContact CB-O 3.33Å
72	V	96.5	Very high	96.6	Very high	35 Å²	35	45.3 Å²	45.3	21%	0.212	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-42.9	179.4	-173	0	0	0	0	110.9	Y69 K70 S75 N76 T177 V179	Y69-V72 WeakPolarHBondContact O-CA 3.29Å; Y69-V72 WeakPolarHBondContact O-CB 3.48Å; Y69-V72 PolarHBondContact O-N 3.16Å; K70-V72 VanDerWaalsContact C-N 3.27Å; K70-V72 PolarHBondContact O-N 2.89Å; V72-S75 PolarHBondContact O-N 3.21Å; V72-N76 VanDerWaalsContact O-CB 3.29Å; V72-N76 WeakPolarHBondContact O-CB 3.46Å; V72-N76 PolarHBondContact O-N 3.04Å; V72-N76 PolarHBondContact O-OD1 3.04Å; V72-T177 HydrophobicContact CB-CG2 4.31Å; V72-T177 HydrophobicContact CG1-CG2 4.06Å; V72-V179 HydrophobicContact CG1-CG2 3.56Å; V72-V179 HydrophobicContact CG2-CG2 4.31Å
73	V	97.5	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-51.6	175.7	170.5	0	0	0	0	110.4	Y69 K70 N76 T77 F155 L162 Y167 P169 D173 T177	Y69-V73 WeakPolarHBondContact O-CG2 3.21Å; Y69-V73 PolarHBondContact O-N 3.02Å; K70-V73 PolarHBondContact O-N 3.3Å; V73-N76 PolarHBondContact O-N 3.2Å; V73-T77 WeakPolarHBondContact O-CB 3.5Å; V73-T77 PolarHBondContact O-N 2.9Å; V73-T77 PolarHBondContact O-OG1 2.9Å; V73-F155 HydrophobicContact CB-CE1 4.43Å; V73-F155 HydrophobicContact CG1-CD1 3.87Å; V73-F155 HydrophobicContact CG1-CE1 3.69Å; V73-F155 HydrophobicContact CG1-CZ 4.4Å; V73-F155 HydrophobicContact CG2-CE1 4.2Å; V73-F155 HydrophobicContact CG2-CZ 4.43Å; V73-L162 HydrophobicContact CG1-CD1 4.15Å; V73-L162 HydrophobicContact CG1-CD2 3.88Å; V73-Y167 HydrophobicContact CG1-CE1 4.43Å; V73-P169 HydrophobicContact CG2-CG 4.38Å; V73-D173 HydrophobicContact CG2-CB 4.08Å; V73-T177 HydrophobicContact CB-CG2 4.49Å; V73-T177 HydrophobicContact CG2-CG2 3.49Å; V73-T177 VanDerWaalsContact CG2-CG2 3.49Å
74	Y	97	Very high	96.9	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-45.6	-179.6	-65.4	-19	0	0	0	112	K70 N76 T77 V78 G117 L119 L162 Y167	K70-Y74 HydrophobicContact CD-CE2 4.4Å; K70-Y74 VanDerWaalsContact CE-OH 3.25Å; K70-Y74 WeakPolarHBondContact CE-OH 3.02Å; K70-Y74 HydrophobicContact CG-CD2 4.36Å; K70-Y74 HydrophobicContact CG-CE2 3.89Å; K70-Y74 PolarHBondContact O-N 2.84Å; K70-Y74 VanDerWaalsContact O-N 3.17Å; Y74-N76 PolarHBondContact O-N 3.2Å; Y74-T77 WeakPolarHBondContact O-CB 3.48Å; Y74-T77 PolarHBondContact O-N 2.98Å; Y74-T77 VanDerWaalsContact O-N 3.15Å; Y74-V78 PolarHBondContact O-N 3.3Å; Y74-G117 VanDerWaalsContact CD2-C 3.43Å; Y74-G117 VanDerWaalsContact CE2-C 3.5Å; Y74-G117 WeakPolarHBondContact CE2-O 3.28Å; Y74-L119 HydrophobicContact CD1-CB 4.38Å; Y74-L119 HydrophobicContact CD2-CB 4.15Å; Y74-L119 HydrophobicContact CE1-CB 4.07Å; Y74-L119 HydrophobicContact CE1-CD2 4.22Å; Y74-L119 HydrophobicContact CE2-CB 3.82Å; Y74-L119 HydrophobicContact CG-CB 4.41Å; Y74-L162 HydrophobicContact CE1-CB 4.12Å; Y74-L162 WeakPolarHBondContact CE1-O 3.45Å; Y74-L162 PolarHBondContact OH-O 3.07Å; Y74-Y167 AromaticContact CE1-CD1 3.96Å; Y74-Y167 HydrophobicContact CE1-CD1 3.96Å; Y74-Y167 AromaticContact CE1-CE1 3.97Å; Y74-Y167 HydrophobicContact CE1-CE1 3.97Å; Y74-Y167 AromaticContact CZ-CD1 3.92Å; Y74-Y167 WeakPolarHBondContact OH-CD1 3.22Å
75	S	96.2	Very high	97.1	Very high	40 Å²	40	30.7 Å²	30.7	28%	0.28	16%	0.163	S	C	.	.	H	α-helix	trans	-56.9	-47.6	175.7	-177.6	0	0	0	0	111.6	P71 V72 T77 V78 Q79	P71-S75 WeakPolarHBondContact O-CB 3.28Å; P71-S75 PolarHBondContact O-N 3.32Å; V72-S75 PolarHBondContact O-N 3.21Å; S75-T77 VanDerWaalsContact C-N 3.31Å; S75-T77 PolarHBondContact O-N 2.76Å; S75-V78 PolarHBondContact O-N 3.43Å; S75-Q79 VanDerWaalsContact O-CB 3.3Å; S75-Q79 WeakPolarHBondContact O-CB 3.26Å; S75-Q79 WeakPolarHBondContact O-CG 3.46Å; S75-Q79 PolarHBondContact O-N 3Å
76	N	97.1	Very high	97.2	Very high	18 Å²	18	34.8 Å²	34.8	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-36.8	177.4	-69.6	172.4	0	0	0	112.7	V72 V73 Y74 S80 F155 T177 R178	V72-N76 VanDerWaalsContact O-CB 3.29Å; V72-N76 WeakPolarHBondContact O-CB 3.46Å; V72-N76 PolarHBondContact O-N 3.04Å; V72-N76 PolarHBondContact O-OD1 3.04Å; V73-N76 PolarHBondContact O-N 3.2Å; Y74-N76 PolarHBondContact O-N 3.2Å; N76-S80 VanDerWaalsContact O-CB 3.24Å; N76-S80 WeakPolarHBondContact O-CB 3.3Å; N76-S80 PolarHBondContact O-N 3.02Å; N76-S80 PolarHBondContact O-OG 3.41Å; N76-F155 HydrophobicContact CB-CE2 4.41Å; N76-T177 WeakPolarHBondContact OD1-CA 3.42Å; N76-R178 PolarHBondContact ND2-O 3.06Å; N76-R178 VanDerWaalsContact ND2-O 3.08Å; N76-R178 PolarHBondContact OD1-N 3.19Å; N76-R178 PolarHBondContact OD1-O 2.51Å
77	T	97.8	Very high	97.3	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-52.8	177.5	-54.2	0	0	0	0	110.5	V73 Y74 S75 S80 M81 L127 F155 F156 L159	V73-T77 WeakPolarHBondContact O-CB 3.5Å; V73-T77 PolarHBondContact O-N 2.9Å; V73-T77 PolarHBondContact O-OG1 2.9Å; Y74-T77 WeakPolarHBondContact O-CB 3.48Å; Y74-T77 PolarHBondContact O-N 2.98Å; Y74-T77 VanDerWaalsContact O-N 3.15Å; S75-T77 VanDerWaalsContact C-N 3.31Å; S75-T77 PolarHBondContact O-N 2.76Å; T77-S80 PolarHBondContact O-N 3.4Å; T77-M81 PolarHBondContact O-N 2.88Å; T77-M81 VanDerWaalsContact O-N 3.11Å; T77-L127 HydrophobicContact CG2-CD1 4.31Å; T77-F155 HydrophobicContact CG2-CB 4.19Å; T77-F155 WeakPolarHBondContact OG1-CB 3.49Å; T77-F156 HydrophobicContact CG2-CD1 3.92Å; T77-F156 HydrophobicContact CG2-CE1 3.94Å; T77-F156 WeakPolarHBondContact O-CE1 3.19Å; T77-L159 HydrophobicContact CG2-CD2 4.05Å
78	V	97.2	Very high	97.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-47.1	-179.5	167.8	0	0	0	0	111.7	Y74 S75 S80 M81 I82 L107 A111 A114 L123 L127	Y74-V78 PolarHBondContact O-N 3.3Å; S75-V78 PolarHBondContact O-N 3.43Å; V78-S80 VanDerWaalsContact C-N 3.29Å; V78-S80 PolarHBondContact O-N 3.37Å; V78-M81 PolarHBondContact O-N 3.47Å; V78-M81 VanDerWaalsContact O-N 3.14Å; V78-I82 HydrophobicContact CG1-CD1 3.82Å; V78-I82 HydrophobicContact CG1-CG1 4.47Å; V78-I82 WeakPolarHBondContact O-CG1 3.32Å; V78-I82 PolarHBondContact O-N 3.44Å; V78-L107 HydrophobicContact CG1-CD1 3.99Å; V78-A111 HydrophobicContact CG1-CB 4.01Å; V78-A114 HydrophobicContact CB-CB 4.16Å; V78-A114 HydrophobicContact CG2-CB 3.68Å; V78-L123 HydrophobicContact CG2-CD1 4.43Å; V78-L123 HydrophobicContact CG2-CD2 4.03Å; V78-L127 HydrophobicContact CG2-CD1 4.2Å
79	Q	96.8	Very high	97.5	Very high	82 Å²	82	27.6 Å²	27.6	38%	0.383	15%	0.151	S	C	.	.	H	α-helix	trans	-65.5	-33.8	-180	-66	-57.9	-44.3	0	0	112.1	S75 I82 A83	S75-Q79 VanDerWaalsContact O-CB 3.3Å; S75-Q79 WeakPolarHBondContact O-CB 3.26Å; S75-Q79 WeakPolarHBondContact O-CG 3.46Å; S75-Q79 PolarHBondContact O-N 3Å; Q79-I82 PolarHBondContact O-N 2.93Å; Q79-A83 WeakPolarHBondContact O-CB 3.46Å; Q79-A83 PolarHBondContact O-N 3.36Å
80	S	98.2	Very high	97.5	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-43	172.3	-61.4	0	0	0	0	111.5	N76 T77 V78 A83 I84 L148 N149	N76-S80 VanDerWaalsContact O-CB 3.24Å; N76-S80 WeakPolarHBondContact O-CB 3.3Å; N76-S80 PolarHBondContact O-N 3.02Å; N76-S80 PolarHBondContact O-OG 3.41Å; T77-S80 PolarHBondContact O-N 3.4Å; V78-S80 VanDerWaalsContact C-N 3.29Å; V78-S80 PolarHBondContact O-N 3.37Å; S80-A83 WeakPolarHBondContact O-CB 3.43Å; S80-A83 PolarHBondContact O-N 2.8Å; S80-I84 WeakPolarHBondContact O-CG1 3.43Å; S80-I84 PolarHBondContact O-N 3.18Å; S80-I84 VanDerWaalsContact O-N 3.16Å; S80-L148 WeakPolarHBondContact O-CD1 3.4Å; S80-N149 PolarHBondContact OG-ND2 3.35Å
81	M	98.6	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-43.6	178.5	-174.1	61.1	75.4	0	0	110.7	T77 V78 A83 I84 I85 L107 L127 L130 W131 V136 F156	T77-M81 PolarHBondContact O-N 2.88Å; T77-M81 VanDerWaalsContact O-N 3.11Å; V78-M81 PolarHBondContact O-N 3.47Å; V78-M81 VanDerWaalsContact O-N 3.14Å; M81-A83 PolarHBondContact O-N 3.45Å; M81-I84 PolarHBondContact O-N 3.02Å; M81-I85 HydrophobicContact CG-CG1 4.25Å; M81-I85 WeakPolarHBondContact O-CG1 3.45Å; M81-I85 PolarHBondContact O-N 3.38Å; M81-I85 HydrophobicContact SD-CD1 4.21Å; M81-I85 HydrophobicContact SD-CG1 4.35Å; M81-L107 HydrophobicContact CB-CD1 4.34Å; M81-L107 HydrophobicContact CB-CD2 3.91Å; M81-L107 HydrophobicContact CG-CD1 4.39Å; M81-L107 HydrophobicContact CG-CD2 3.4Å; M81-L127 HydrophobicContact CB-CD2 3.67Å; M81-L127 HydrophobicContact CE-CD2 4.44Å; M81-L127 HydrophobicContact CG-CD2 3.9Å; M81-L130 HydrophobicContact CE-CB 3.91Å; M81-L130 HydrophobicContact CG-CD1 4.08Å; M81-L130 HydrophobicContact SD-CB 3.93Å; M81-L130 HydrophobicContact SD-CD1 4.47Å; M81-W131 HydrophobicContact CE-CB 3.93Å; M81-W131 HydrophobicContact CE-CE3 4.34Å; M81-V136 HydrophobicContact SD-CG1 4.07Å; M81-F156 HydrophobicContact CB-CE1 3.92Å; M81-F156 HydrophobicContact CB-CZ 3.95Å; M81-F156 HydrophobicContact CE-CD1 4.14Å; M81-F156 HydrophobicContact CE-CE1 3.85Å; M81-F156 HydrophobicContact CE-CE2 4.43Å; M81-F156 HydrophobicContact CE-CZ 4Å
82	I	98.1	Very high	97.7	Very high	5 Å²	5	40 Å²	40	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-55.6	-41.4	174.5	-73.9	171.6	0	0	0	111.4	V78 Q79 I85 R86 L107 F108 A111	V78-I82 HydrophobicContact CG1-CD1 3.82Å; V78-I82 HydrophobicContact CG1-CG1 4.47Å; V78-I82 WeakPolarHBondContact O-CG1 3.32Å; V78-I82 PolarHBondContact O-N 3.44Å; Q79-I82 PolarHBondContact O-N 2.93Å; I82-I85 PolarHBondContact O-N 3.45Å; I82-R86 HydrophobicContact CG2-CG 4.47Å; I82-R86 WeakPolarHBondContact O-CB 3.37Å; I82-R86 WeakPolarHBondContact O-CG 3.48Å; I82-R86 PolarHBondContact O-N 3.11Å; I82-L107 HydrophobicContact CG1-CD1 4.44Å; I82-L107 HydrophobicContact CG1-CD2 3.94Å; I82-L107 HydrophobicContact CG1-CG 4.01Å; I82-F108 HydrophobicContact CB-CE1 4.36Å; I82-F108 HydrophobicContact CD1-CD1 4.45Å; I82-F108 HydrophobicContact CG1-CD1 4.29Å; I82-F108 HydrophobicContact CG1-CE1 4.01Å; I82-F108 HydrophobicContact CG2-CE1 3.74Å; I82-F108 HydrophobicContact CG2-CZ 4.31Å; I82-A111 HydrophobicContact CD1-CB 3.71Å
83	A	98.2	Very high	97.8	Very high	25 Å²	25	39.1 Å²	39.1	21%	0.207	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-44	176.5	0	0	0	0	0	111.8	Q79 S80 M81 A87 L148	Q79-A83 WeakPolarHBondContact O-CB 3.46Å; Q79-A83 PolarHBondContact O-N 3.36Å; S80-A83 WeakPolarHBondContact O-CB 3.43Å; S80-A83 PolarHBondContact O-N 2.8Å; M81-A83 PolarHBondContact O-N 3.45Å; A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 2.9Å; A83-L148 HydrophobicContact CB-CD1 4.24Å
84	I	98.7	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-49.4	176.8	-61.5	166.8	0	0	0	110.8	S80 M81 R86 A87 M88 W131 V136 C139 F140 Y146 L148 F156	S80-I84 WeakPolarHBondContact O-CG1 3.43Å; S80-I84 PolarHBondContact O-N 3.18Å; S80-I84 VanDerWaalsContact O-N 3.16Å; M81-I84 PolarHBondContact O-N 3.02Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 3.29Å; I84-A87 CarbonylContact O-C 3.56Å; I84-A87 WeakPolarHBondContact O-CA 3.38Å; I84-A87 WeakPolarHBondContact O-CB 3.44Å; I84-A87 PolarHBondContact O-N 3.17Å; I84-A87 VanDerWaalsContact O-N 3.07Å; I84-M88 WeakPolarHBondContact O-CG 3.39Å; I84-M88 PolarHBondContact O-N 3.16Å; I84-W131 HydrophobicContact CD1-CZ3 4.34Å; I84-V136 HydrophobicContact CG2-CG1 3.9Å; I84-C139 HydrophobicContact CG2-CB 3.95Å; I84-F140 HydrophobicContact CD1-CD2 4Å; I84-Y146 HydrophobicContact CG1-CE2 4.17Å; I84-L148 HydrophobicContact CD1-CD1 4.23Å; I84-L148 HydrophobicContact CD1-CD2 4.18Å; I84-L148 HydrophobicContact CG1-CD1 3.92Å; I84-L148 HydrophobicContact CG1-CD2 4.08Å; I84-F156 HydrophobicContact CD1-CE2 3.62Å; I84-F156 HydrophobicContact CD1-CZ 4.08Å
85	I	98.5	Very high	97.9	Very high	19 Å²	19	49 Å²	49	10%	0.097	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-38.7	-178.5	-58.9	-47.4	0	0	0	111.8	M81 I82 M88 G89 F95 A104 L107 F108 L130 V136	M81-I85 HydrophobicContact CG-CG1 4.25Å; M81-I85 WeakPolarHBondContact O-CG1 3.45Å; M81-I85 PolarHBondContact O-N 3.38Å; M81-I85 HydrophobicContact SD-CD1 4.21Å; M81-I85 HydrophobicContact SD-CG1 4.35Å; I82-I85 PolarHBondContact O-N 3.45Å; I85-M88 HydrophobicContact CD1-SD 3.73Å; I85-M88 WeakPolarHBondContact O-CB 3.45Å; I85-M88 PolarHBondContact O-N 3.31Å; I85-G89 PolarHBondContact O-N 3.36Å; I85-F95 HydrophobicContact CD1-CE1 3.8Å; I85-F95 HydrophobicContact CD1-CZ 3.97Å; I85-F95 HydrophobicContact CG2-CZ 4.37Å; I85-A104 HydrophobicContact CG2-CB 4.23Å; I85-L107 HydrophobicContact CG1-CD2 4.16Å; I85-F108 HydrophobicContact CB-CE2 4.45Å; I85-F108 HydrophobicContact CB-CZ 4.5Å; I85-F108 HydrophobicContact CG2-CE2 3.86Å; I85-F108 HydrophobicContact CG2-CZ 4.26Å; I85-L130 HydrophobicContact CD1-CD2 4.1Å; I85-V136 HydrophobicContact CD1-CG2 3.88Å
86	R	98.1	Very high	98	Very high	146 Å²	146	54.2 Å²	54.2	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-64.5	-43.1	172.8	-73.8	175.5	176.1	160.3	1.1	111.6	I82 I84 M88 G89 H90 F108	I82-R86 HydrophobicContact CG2-CG 4.47Å; I82-R86 WeakPolarHBondContact O-CB 3.37Å; I82-R86 WeakPolarHBondContact O-CG 3.48Å; I82-R86 PolarHBondContact O-N 3.11Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 3.29Å; R86-M88 VanDerWaalsContact C-N 3.31Å; R86-M88 PolarHBondContact O-N 3.22Å; R86-G89 PolarHBondContact O-N 3.02Å; R86-H90 PolarHBondContact O-CD2 2.93Å; R86-H90 PolarHBondContact O-N 3.41Å; R86-F108 HydrophobicContact CG-CZ 4.27Å
87	A	98.4	Very high	98	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.041	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-36.7	177	0	0	0	0	0	112.3	A83 I84 G89 H90 L91 Y146	A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 2.9Å; I84-A87 CarbonylContact O-C 3.56Å; I84-A87 WeakPolarHBondContact O-CA 3.38Å; I84-A87 WeakPolarHBondContact O-CB 3.44Å; I84-A87 PolarHBondContact O-N 3.17Å; I84-A87 VanDerWaalsContact O-N 3.07Å; A87-G89 VanDerWaalsContact C-N 3.26Å; A87-G89 PolarHBondContact O-N 3.48Å; A87-H90 PolarHBondContact O-N 3.43Å; A87-H90 VanDerWaalsContact O-N 3.11Å; A87-L91 VanDerWaalsContact O-CB 3.31Å; A87-L91 WeakPolarHBondContact O-CB 3.38Å; A87-L91 VanDerWaalsContact O-CG 3.25Å; A87-L91 WeakPolarHBondContact O-CG 3.35Å; A87-L91 PolarHBondContact O-N 3.15Å; A87-Y146 HydrophobicContact CB-CD1 3.4Å; A87-Y146 HydrophobicContact CB-CD2 3.69Å; A87-Y146 HydrophobicContact CB-CE1 3.57Å; A87-Y146 HydrophobicContact CB-CE2 3.86Å; A87-Y146 HydrophobicContact CB-CG 3.46Å; A87-Y146 VanDerWaalsContact CB-CG 3.46Å
88	M	98.5	Very high	97.9	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-54.5	-44.3	173.3	-71.9	176.8	73.6	0	0	111.7	I84 I85 R86 H90 L91 Y92 I93 F95 V136 C139	I84-M88 WeakPolarHBondContact O-CG 3.39Å; I84-M88 PolarHBondContact O-N 3.16Å; I85-M88 HydrophobicContact CD1-SD 3.73Å; I85-M88 WeakPolarHBondContact O-CB 3.45Å; I85-M88 PolarHBondContact O-N 3.31Å; R86-M88 VanDerWaalsContact C-N 3.31Å; R86-M88 PolarHBondContact O-N 3.22Å; M88-H90 PolarHBondContact O-N 3.31Å; M88-L91 PolarHBondContact O-N 3.08Å; M88-Y92 PolarHBondContact O-N 2.91Å; M88-I93 HydrophobicContact CB-CB 4.35Å; M88-I93 HydrophobicContact CE-CG2 4.15Å; M88-I93 HydrophobicContact CG-CB 4.36Å; M88-I93 PolarHBondContact O-N 3.33Å; M88-F95 HydrophobicContact CE-CD1 3.62Å; M88-F95 HydrophobicContact CE-CE1 3.73Å; M88-F95 HydrophobicContact CE-CG 4.12Å; M88-F95 HydrophobicContact CE-CZ 4.32Å; M88-F95 HydrophobicContact SD-CD1 4.35Å; M88-F95 HydrophobicContact SD-CE1 3.88Å; M88-F95 HydrophobicContact SD-CZ 4.38Å; M88-V136 HydrophobicContact CE-CG2 4.2Å; M88-V136 HydrophobicContact SD-CB 4.38Å; M88-V136 HydrophobicContact SD-CG2 3.67Å; M88-C139 HydrophobicContact CG-CB 3.46Å; M88-C139 VanDerWaalsContact CG-CB 3.46Å; M88-C139 VanDerWaalsContact CG-SG 3.57Å; M88-C139 PolarHBondContact N-SG 2.78Å; M88-C139 HydrophobicContact SD-CB 4.46Å
89	G	97.3	Very high	97.8	Very high	53 Å²	53	66.9 Å²	66.9	55%	0.546	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-43.6	175.7	0	0	0	0	0	113.3	I85 R86 A87	I85-G89 PolarHBondContact O-N 3.36Å; R86-G89 PolarHBondContact O-N 3.02Å; A87-G89 VanDerWaalsContact C-N 3.26Å; A87-G89 PolarHBondContact O-N 3.48Å
90	H	96.7	Very high	97.9	Very high	152 Å²	152	64.9 Å²	64.9	70%	0.704	32%	0.315	S	S	*	.	H	α-helix	trans	-72.5	-31.7	178.7	-67.5	-60.7	0	0	0	113.8	R86 A87 M88 Y92	R86-H90 PolarHBondContact O-CD2 2.93Å; R86-H90 PolarHBondContact O-N 3.41Å; A87-H90 PolarHBondContact O-N 3.43Å; A87-H90 VanDerWaalsContact O-N 3.11Å; M88-H90 PolarHBondContact O-N 3.31Å; H90-Y92 VanDerWaalsContact C-N 3.34Å
91	L	97.9	Very high	97.9	Very high	32 Å²	32	69.5 Å²	69.5	17%	0.168	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.1	-178.4	-61.1	-178.1	0	0	0	113	A87 M88 I93 R142 E145 Y146	A87-L91 VanDerWaalsContact O-CB 3.31Å; A87-L91 WeakPolarHBondContact O-CB 3.38Å; A87-L91 VanDerWaalsContact O-CG 3.25Å; A87-L91 WeakPolarHBondContact O-CG 3.35Å; A87-L91 PolarHBondContact O-N 3.15Å; M88-L91 PolarHBondContact O-N 3.08Å; L91-I93 HydrophobicContact CB-CD1 3.88Å; L91-I93 HydrophobicContact CB-CG1 3.97Å; L91-I93 HydrophobicContact CD1-CD1 4.23Å; L91-I93 PolarHBondContact O-N 2.6Å; L91-R142 HydrophobicContact CD1-CB 4.15Å; L91-E145 HydrophobicContact CD1-CB 4.46Å; L91-E145 HydrophobicContact CD2-CB 4.4Å; L91-E145 VanDerWaalsContact CD2-OE2 3.32Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.33Å; L91-Y146 HydrophobicContact CD1-CD1 4.25Å; L91-Y146 HydrophobicContact CD1-CE1 4.28Å
92	Y	97.8	Very high	97.8	Very high	207 Å²	207	73.5 Å²	73.5	81%	0.812	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	38.2	-177.4	-56.6	-83.1	0	0	0	113.4	M88 H90	M88-Y92 PolarHBondContact O-N 2.91Å; H90-Y92 VanDerWaalsContact C-N 3.34Å
93	I	98.2	Very high	97.8	Very high	16 Å²	16	74.4 Å²	74.4	8%	0.082	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-93.9	124.1	176	-58.4	172.3	0	0	0	107.9	M88 L91 G135 Q138 C139	M88-I93 HydrophobicContact CB-CB 4.35Å; M88-I93 HydrophobicContact CE-CG2 4.15Å; M88-I93 HydrophobicContact CG-CB 4.36Å; M88-I93 PolarHBondContact O-N 3.33Å; L91-I93 HydrophobicContact CB-CD1 3.88Å; L91-I93 HydrophobicContact CB-CG1 3.97Å; L91-I93 HydrophobicContact CD1-CD1 4.23Å; L91-I93 PolarHBondContact O-N 2.6Å; I93-G135 WeakPolarHBondContact CG2-O 3.48Å; I93-Q138 HydrophobicContact CD1-CG 4.45Å; I93-Q138 HydrophobicContact CG2-CB 4.41Å; I93-C139 HydrophobicContact CD1-CB 3.72Å
94	K	98	Very high	97.8	Very high	172 Å²	172	73.6 Å²	73.6	75%	0.748	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-87.8	155.3	175.1	-63.9	-174.6	178.1	-173.6	0	110.1	G135	K94-G135 WeakPolarHBondContact O-CA 3.43Å
95	F	98.6	Very high	97.8	Very high	44 Å²	44	80 Å²	80	19%	0.193	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-59.3	147.4	162.9	-64.5	-68.3	0	0	0	109.9	I85 M88 D97 R100 A104 L130 V136	I85-F95 HydrophobicContact CD1-CE1 3.8Å; I85-F95 HydrophobicContact CD1-CZ 3.97Å; I85-F95 HydrophobicContact CG2-CZ 4.37Å; M88-F95 HydrophobicContact CE-CD1 3.62Å; M88-F95 HydrophobicContact CE-CE1 3.73Å; M88-F95 HydrophobicContact CE-CG 4.12Å; M88-F95 HydrophobicContact CE-CZ 4.32Å; M88-F95 HydrophobicContact SD-CD1 4.35Å; M88-F95 HydrophobicContact SD-CE1 3.88Å; M88-F95 HydrophobicContact SD-CZ 4.38Å; F95-D97 WeakPolarHBondContact CB-O 3.23Å; F95-R100 HydrophobicContact CB-CB 4.1Å; F95-R100 HydrophobicContact CD1-CB 3.62Å; F95-R100 HydrophobicContact CD1-CG 4.39Å; F95-R100 HydrophobicContact CD2-CB 4.32Å; F95-R100 HydrophobicContact CE1-CB 4.09Å; F95-R100 HydrophobicContact CG-CB 3.76Å; F95-A104 HydrophobicContact CE2-CB 4.39Å; F95-A104 HydrophobicContact CZ-CB 3.93Å; F95-L130 HydrophobicContact CD1-CD2 4.48Å; F95-L130 HydrophobicContact CE1-CD2 3.66Å; F95-L130 HydrophobicContact CZ-CD2 4.12Å; F95-V136 HydrophobicContact CD1-CG2 4Å; F95-V136 HydrophobicContact CE1-CG2 3.75Å
96	E	98.4	Very high	97.7	Very high	150 Å²	150	81.2 Å²	81.2	70%	0.701	39%	0.389	S	S	*	.	S	Bend	trans	-71.8	-41.8	171.4	-179	173.2	-131.8	0	0	110.1	D133 G134	E96-D133 WeakPolarHBondContact CB-OD1 3.33Å; E96-D133 PolarHBondContact N-OD1 2.82Å; E96-D133 PolarHBondContact N-OD2 3.43Å; E96-G134 WeakPolarHBondContact OE2-CA 3.4Å; E96-G134 PolarHBondContact OE2-N 3.08Å; E96-G134 VanDerWaalsContact OE2-N 3.08Å
97	D	97.6	Very high	97.6	Very high	60 Å²	60	74.2 Å²	74.2	32%	0.321	36%	0.363	S	S	.	.	S	Bend	trans	-105.4	115.3	169.8	176.7	5.4	0	0	0	110.2	F95 C99 R100 D133	F95-D97 WeakPolarHBondContact CB-O 3.23Å; D97-C99 PolarHBondContact O-N 3.4Å; D97-C99 VanDerWaalsContact O-N 3.08Å; D97-C99 VanDerWaalsContact OD1-CB 3.24Å; D97-C99 WeakPolarHBondContact OD1-CB 3.2Å; D97-C99 PolarHBondContact OD1-N 3.3Å; D97-C99 PolarHBondContact OD1-SG 3.27Å; D97-R100 HydrophobicContact CB-CG 4.13Å; D97-R100 VanDerWaalsContact O-CB 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.43Å; D97-R100 VanDerWaalsContact O-CG 3.3Å; D97-R100 WeakPolarHBondContact O-CG 3.35Å; D97-R100 PolarHBondContact O-N 3Å; D97-R100 IonicContact OD2-CZ 3.72Å; D97-R100 VanDerWaalsContact OD2-CZ 3.24Å; D97-R100 IonicContact OD2-NH1 2.75Å; D97-R100 PolarHBondContact OD2-NH1 3.12Å; D97-R100 IonicContact OD2-NH2 2.78Å; D97-R100 PolarHBondContact OD2-NH2 2.92Å; D97-D133 PolarHBondContact N-OD1 2.75Å; D97-D133 VanDerWaalsContact N-OD1 3.08Å
98	E	96	Very high	97.5	Very high	158 Å²	158	78.1 Å²	78.1	74%	0.738	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.5	-180	-65.9	-168.2	159.4	0	0	113.2	R100 M101	E98-R100 PolarHBondContact O-N 2.92Å; E98-M101 WeakPolarHBondContact O-CB 3.48Å; E98-M101 PolarHBondContact O-N 2.92Å; E98-M101 VanDerWaalsContact O-N 3.15Å
99	C	96.1	Very high	97.3	Very high	71 Å²	71	81.8 Å²	81.8	48%	0.48	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.6	174.6	-56.4	0	0	0	0	112.4	D97 M101 D102	D97-C99 PolarHBondContact O-N 3.4Å; D97-C99 VanDerWaalsContact O-N 3.08Å; D97-C99 VanDerWaalsContact OD1-CB 3.24Å; D97-C99 WeakPolarHBondContact OD1-CB 3.2Å; D97-C99 PolarHBondContact OD1-N 3.3Å; D97-C99 PolarHBondContact OD1-SG 3.27Å; C99-M101 PolarHBondContact O-N 3.38Å; C99-M101 VanDerWaalsContact O-N 3.08Å; C99-D102 WeakPolarHBondContact O-CB 3.44Å; C99-D102 PolarHBondContact O-N 3.38Å
100	R	98	Very high	97.1	Very high	41 Å²	41	79.8 Å²	79.8	16%	0.155	39%	0.387	C	S	.	.	H	α-helix	trans	-62.1	-15.3	175.6	-63.1	-63.9	87.2	79.4	9.5	113.3	F95 D97 E98 D102 D103 A104 Q129 L130 D133	F95-R100 HydrophobicContact CB-CB 4.1Å; F95-R100 HydrophobicContact CD1-CB 3.62Å; F95-R100 HydrophobicContact CD1-CG 4.39Å; F95-R100 HydrophobicContact CD2-CB 4.32Å; F95-R100 HydrophobicContact CE1-CB 4.09Å; F95-R100 HydrophobicContact CG-CB 3.76Å; D97-R100 HydrophobicContact CB-CG 4.13Å; D97-R100 VanDerWaalsContact O-CB 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.43Å; D97-R100 VanDerWaalsContact O-CG 3.3Å; D97-R100 WeakPolarHBondContact O-CG 3.35Å; D97-R100 PolarHBondContact O-N 3Å; D97-R100 IonicContact OD2-CZ 3.72Å; D97-R100 VanDerWaalsContact OD2-CZ 3.24Å; D97-R100 IonicContact OD2-NH1 2.75Å; D97-R100 PolarHBondContact OD2-NH1 3.12Å; D97-R100 IonicContact OD2-NH2 2.78Å; D97-R100 PolarHBondContact OD2-NH2 2.92Å; E98-R100 PolarHBondContact O-N 2.92Å; R100-D102 PolarHBondContact O-N 2.83Å; R100-D103 IonicContact CZ-OD2 3.66Å; R100-D103 IonicContact NE-OD2 2.73Å; R100-D103 PolarHBondContact NE-OD2 2.88Å; R100-D103 IonicContact NH2-OD2 3.41Å; R100-D103 PolarHBondContact O-N 3.14Å; R100-A104 PolarHBondContact O-N 2.57Å; R100-Q129 WeakPolarHBondContact CD-O 3.39Å; R100-L130 HydrophobicContact CB-CD2 4.12Å; R100-D133 HydrophobicContact CG-CB 4.03Å
101	M	97.1	Very high	96.7	Very high	99 Å²	99	73.1 Å²	73.1	49%	0.488	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-32.6	170.9	-171.7	172	40.4	0	0	112.1	E98 C99 R105	E98-M101 WeakPolarHBondContact O-CB 3.48Å; E98-M101 PolarHBondContact O-N 2.92Å; E98-M101 VanDerWaalsContact O-N 3.15Å; C99-M101 PolarHBondContact O-N 3.38Å; C99-M101 VanDerWaalsContact O-N 3.08Å; M101-R105 WeakPolarHBondContact O-CG 3.25Å; M101-R105 PolarHBondContact O-N 3.33Å; M101-R105 VanDerWaalsContact O-N 3.09Å
102	D	97.7	Very high	96.3	Very high	83 Å²	83	77.9 Å²	77.9	44%	0.444	38%	0.384	S	S	.	.	H	α-helix	trans	-72.3	-39.5	176.2	-63.7	-19.6	0	0	0	111.3	C99 R100 A104 R105 T106	C99-D102 WeakPolarHBondContact O-CB 3.44Å; C99-D102 PolarHBondContact O-N 3.38Å; R100-D102 PolarHBondContact O-N 2.83Å; D102-A104 VanDerWaalsContact C-N 3.34Å; D102-A104 PolarHBondContact O-N 2.7Å; D102-R105 PolarHBondContact O-N 3.14Å; D102-R105 IonicContact OD1-CZ 3.17Å; D102-R105 IonicContact OD1-NH1 3.19Å; D102-R105 PolarHBondContact OD1-NH1 3.49Å; D102-R105 IonicContact OD1-NH2 3.07Å; D102-R105 PolarHBondContact OD1-NH2 2.85Å; D102-R105 VanDerWaalsContact OD1-NH2 3.07Å; D102-T106 PolarHBondContact O-N 3.21Å; D102-T106 PolarHBondContact O-OG1 2.88Å
103	D	98.2	Very high	95.7	Very high	24 Å²	24	71 Å²	71	13%	0.128	36%	0.359	C	S	.	.	H	α-helix	trans	-63	-41	173.4	-62.5	-65.7	0	0	0	111.4	R100 R105 T106 L107 A126 L130	R100-D103 IonicContact CZ-OD2 3.66Å; R100-D103 IonicContact NE-OD2 2.73Å; R100-D103 PolarHBondContact NE-OD2 2.88Å; R100-D103 IonicContact NH2-OD2 3.41Å; R100-D103 PolarHBondContact O-N 3.14Å; D103-R105 PolarHBondContact O-N 3.2Å; D103-T106 WeakPolarHBondContact O-CB 3.46Å; D103-T106 PolarHBondContact O-N 3.32Å; D103-L107 WeakPolarHBondContact O-CB 3.45Å; D103-L107 PolarHBondContact O-N 3.31Å; D103-A126 HydrophobicContact CB-CB 4Å; D103-L130 HydrophobicContact CB-CD1 4.26Å; D103-L130 HydrophobicContact CB-CD2 4.06Å; D103-L130 HydrophobicContact CB-CG 3.85Å
104	A	98.1	Very high	94.8	Very high	8 Å²	8	70.2 Å²	70.2	7%	0.066	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-41.9	174.2	0	0	0	0	0	111.7	I85 F95 R100 D102 T106 L107 F108 L130	I85-A104 HydrophobicContact CG2-CB 4.23Å; F95-A104 HydrophobicContact CE2-CB 4.39Å; F95-A104 HydrophobicContact CZ-CB 3.93Å; R100-A104 PolarHBondContact O-N 2.57Å; D102-A104 VanDerWaalsContact C-N 3.34Å; D102-A104 PolarHBondContact O-N 2.7Å; A104-T106 VanDerWaalsContact C-N 3.34Å; A104-L107 WeakPolarHBondContact O-CB 3.43Å; A104-L107 PolarHBondContact O-N 2.73Å; A104-F108 WeakPolarHBondContact O-CD2 3.43Å; A104-F108 PolarHBondContact O-N 2.82Å; A104-F108 VanDerWaalsContact O-N 3.09Å; A104-L130 HydrophobicContact CB-CD2 4.29Å
105	R	97.6	Very high	94.1	Very high	135 Å²	135	65 Å²	65	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-42.4	174.6	-72.6	-172	-130.9	113.2	10.3	111.7	M101 D102 D103 F108 A109	M101-R105 WeakPolarHBondContact O-CG 3.25Å; M101-R105 PolarHBondContact O-N 3.33Å; M101-R105 VanDerWaalsContact O-N 3.09Å; D102-R105 PolarHBondContact O-N 3.14Å; D102-R105 IonicContact OD1-CZ 3.17Å; D102-R105 IonicContact OD1-NH1 3.19Å; D102-R105 PolarHBondContact OD1-NH1 3.49Å; D102-R105 IonicContact OD1-NH2 3.07Å; D102-R105 PolarHBondContact OD1-NH2 2.85Å; D102-R105 VanDerWaalsContact OD1-NH2 3.07Å; D103-R105 PolarHBondContact O-N 3.2Å; R105-F108 PolarHBondContact O-N 3.1Å; R105-A109 WeakPolarHBondContact O-CB 3.28Å; R105-A109 PolarHBondContact O-N 3.43Å
106	T	96.6	Very high	93.4	Very high	44 Å²	44	69.4 Å²	69.4	27%	0.27	37%	0.37	S	S	.	.	H	α-helix	trans	-60.2	-47.2	175.7	-56.2	0	0	0	0	111.2	D102 D103 A104 F108 A109 C110 E122 A126	D102-T106 PolarHBondContact O-N 3.21Å; D102-T106 PolarHBondContact O-OG1 2.88Å; D103-T106 WeakPolarHBondContact O-CB 3.46Å; D103-T106 PolarHBondContact O-N 3.32Å; A104-T106 VanDerWaalsContact C-N 3.34Å; T106-F108 VanDerWaalsContact C-N 3.33Å; T106-F108 PolarHBondContact O-N 3.28Å; T106-A109 PolarHBondContact O-N 2.95Å; T106-C110 WeakPolarHBondContact O-CB 3.13Å; T106-C110 PolarHBondContact O-N 3.15Å; T106-E122 HydrophobicContact CG2-CB 4.4Å; T106-A126 HydrophobicContact CG2-CB 4.09Å
107	L	97.1	Very high	92.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-53.7	-47.9	175.1	173	70.2	0	0	0	112	V78 M81 I82 I85 D103 A104 A111 L123 L127 L130	V78-L107 HydrophobicContact CG1-CD1 3.99Å; M81-L107 HydrophobicContact CB-CD1 4.34Å; M81-L107 HydrophobicContact CB-CD2 3.91Å; M81-L107 HydrophobicContact CG-CD1 4.39Å; M81-L107 HydrophobicContact CG-CD2 3.4Å; I82-L107 HydrophobicContact CG1-CD1 4.44Å; I82-L107 HydrophobicContact CG1-CD2 3.94Å; I82-L107 HydrophobicContact CG1-CG 4.01Å; I85-L107 HydrophobicContact CG1-CD2 4.16Å; D103-L107 WeakPolarHBondContact O-CB 3.45Å; D103-L107 PolarHBondContact O-N 3.31Å; A104-L107 WeakPolarHBondContact O-CB 3.43Å; A104-L107 PolarHBondContact O-N 2.73Å; L107-A111 WeakPolarHBondContact O-CA 3.35Å; L107-A111 WeakPolarHBondContact O-CB 3.39Å; L107-A111 PolarHBondContact O-N 3.3Å; L107-A111 VanDerWaalsContact O-N 3.07Å; L107-L123 HydrophobicContact CD1-CD1 3.89Å; L107-L127 HydrophobicContact CD1-CD2 3.67Å; L107-L127 HydrophobicContact CD1-CG 4.32Å; L107-L130 HydrophobicContact CB-CD1 4.2Å; L107-L130 HydrophobicContact CD2-CD1 3.95Å
108	F	96.1	Very high	92.1	Very high	87 Å²	87	66.8 Å²	66.8	38%	0.382	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-36.5	179.9	-78.2	-68.8	0	0	0	112.9	I82 I85 R86 A104 R105 T106	I82-F108 HydrophobicContact CB-CE1 4.36Å; I82-F108 HydrophobicContact CD1-CD1 4.45Å; I82-F108 HydrophobicContact CG1-CD1 4.29Å; I82-F108 HydrophobicContact CG1-CE1 4.01Å; I82-F108 HydrophobicContact CG2-CE1 3.74Å; I82-F108 HydrophobicContact CG2-CZ 4.31Å; I85-F108 HydrophobicContact CB-CE2 4.45Å; I85-F108 HydrophobicContact CB-CZ 4.5Å; I85-F108 HydrophobicContact CG2-CE2 3.86Å; I85-F108 HydrophobicContact CG2-CZ 4.26Å; R86-F108 HydrophobicContact CG-CZ 4.27Å; A104-F108 WeakPolarHBondContact O-CD2 3.43Å; A104-F108 PolarHBondContact O-N 2.82Å; A104-F108 VanDerWaalsContact O-N 3.09Å; R105-F108 PolarHBondContact O-N 3.1Å; T106-F108 VanDerWaalsContact C-N 3.33Å; T106-F108 PolarHBondContact O-N 3.28Å
109	A	94.4	Very high	91.9	Very high	81 Å²	81	60.1 Å²	60.1	67%	0.669	32%	0.324	S	S	*	.	H	α-helix	trans	-68.3	-41.4	178.4	0	0	0	0	0	112.3	R105 T106	R105-A109 WeakPolarHBondContact O-CB 3.28Å; R105-A109 PolarHBondContact O-N 3.43Å; T106-A109 PolarHBondContact O-N 2.95Å
110	C	92.2	Very high	91.7	Very high	11 Å²	11	57.3 Å²	57.3	7%	0.074	31%	0.305	C	S	.	.	S	Bend	trans	-92.9	3.7	-176.7	-63.4	0	0	0	0	113.6	T106 N112 E113 L123	T106-C110 WeakPolarHBondContact O-CB 3.13Å; T106-C110 PolarHBondContact O-N 3.15Å; C110-N112 PolarHBondContact O-N 3.17Å; C110-E113 HydrophobicContact CB-CG 4.35Å; C110-E113 WeakPolarHBondContact CB-OE1 3.3Å; C110-E113 WeakPolarHBondContact O-CB 3.34Å; C110-E113 PolarHBondContact O-N 2.92Å; C110-E113 PolarHBondContact SG-OE1 3.42Å; C110-L123 HydrophobicContact CB-CB 4.26Å; C110-L123 HydrophobicContact CB-CD1 4.15Å; C110-L123 HydrophobicContact CB-CD2 4.19Å; C110-L123 HydrophobicContact CB-CG 4.44Å
111	A	90	Very high	91.5	Very high	13 Å²	13	60.7 Å²	60.7	11%	0.107	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31	-171	0	0	0	0	0	114.4	V78 I82 L107	V78-A111 HydrophobicContact CG1-CB 4.01Å; I82-A111 HydrophobicContact CD1-CB 3.71Å; L107-A111 WeakPolarHBondContact O-CA 3.35Å; L107-A111 WeakPolarHBondContact O-CB 3.39Å; L107-A111 PolarHBondContact O-N 3.3Å; L107-A111 VanDerWaalsContact O-N 3.07Å
112	N	87.8	Confident	91.4	Very high	132 Å²	132	62.5 Å²	62.5	71%	0.706	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-23.8	-179.1	-66.1	-30.6	0	0	0	113	C110 A114 A115	C110-N112 PolarHBondContact O-N 3.17Å; N112-A114 PolarHBondContact O-N 3.06Å; N112-A115 VanDerWaalsContact O-CB 3.32Å; N112-A115 WeakPolarHBondContact O-CB 3.44Å; N112-A115 PolarHBondContact O-N 3.31Å
113	E	85.1	Confident	91.2	Very high	61 Å²	61	58.6 Å²	58.6	29%	0.285	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-59.4	-33.2	178.5	-63	174.1	-162	0	0	111.7	C110 A115 D116 S120	C110-E113 HydrophobicContact CB-CG 4.35Å; C110-E113 WeakPolarHBondContact CB-OE1 3.3Å; C110-E113 WeakPolarHBondContact O-CB 3.34Å; C110-E113 PolarHBondContact O-N 2.92Å; C110-E113 PolarHBondContact SG-OE1 3.42Å; E113-A115 PolarHBondContact O-N 3.48Å; E113-D116 PolarHBondContact O-N 2.93Å; E113-S120 WeakPolarHBondContact OE2-CB 3.27Å; E113-S120 PolarHBondContact OE2-OG 3.42Å
114	A	81	Confident	91.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-63.8	-26.2	178.3	0	0	0	0	0	113.2	V78 N112 D116 G117	V78-A114 HydrophobicContact CB-CB 4.16Å; V78-A114 HydrophobicContact CG2-CB 3.68Å; N112-A114 PolarHBondContact O-N 3.06Å; A114-D116 PolarHBondContact O-N 3.44Å; A114-G117 PolarHBondContact O-N 2.84Å
115	A	81.5	Confident	91.1	Very high	62 Å²	62	62.4 Å²	62.4	51%	0.512	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-70	-21.5	176.2	0	0	0	0	0	112.5	P71 N112 E113 G117	P71-A115 WeakPolarHBondContact CB-O 3.33Å; N112-A115 VanDerWaalsContact O-CB 3.32Å; N112-A115 WeakPolarHBondContact O-CB 3.44Å; N112-A115 PolarHBondContact O-N 3.31Å; E113-A115 PolarHBondContact O-N 3.48Å; A115-G117 VanDerWaalsContact C-N 3.31Å
116	D	84.2	Confident	91.1	Very high	137 Å²	137	56 Å²	56	73%	0.733	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-88.5	2.3	177.1	-61.8	-37.9	0	0	0	112.6	E113 A114 Y118	E113-D116 PolarHBondContact O-N 2.93Å; A114-D116 PolarHBondContact O-N 3.44Å; D116-Y118 VanDerWaalsContact C-N 3.34Å
117	G	83.8	Confident	91.2	Very high	14 Å²	14	54 Å²	54	14%	0.144	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	25	-179.5	0	0	0	0	0	114	K70 Y74 A114 A115	K70-G117 WeakPolarHBondContact CE-O 3.43Å; Y74-G117 VanDerWaalsContact CD2-C 3.43Å; Y74-G117 VanDerWaalsContact CE2-C 3.5Å; Y74-G117 WeakPolarHBondContact CE2-O 3.28Å; A114-G117 PolarHBondContact O-N 2.84Å; A115-G117 VanDerWaalsContact C-N 3.31Å
118	Y	85.4	Confident	91.2	Very high	142 Å²	142	56.8 Å²	56.8	56%	0.557	31%	0.313	S	S	*	.			trans	-118.3	137.6	175.5	-177.6	-116.8	0	0	0	111.2	D116	D116-Y118 VanDerWaalsContact C-N 3.34Å
119	L	91.7	Very high	91.4	Very high	17 Å²	17	56.1 Å²	56.1	9%	0.089	31%	0.311	C	S	.	.			trans	-121	98.6	173.6	-178	63.2	0	0	0	107.5	Y74 L123 L127 L162 A163	Y74-L119 HydrophobicContact CD1-CB 4.38Å; Y74-L119 HydrophobicContact CD2-CB 4.15Å; Y74-L119 HydrophobicContact CE1-CB 4.07Å; Y74-L119 HydrophobicContact CE1-CD2 4.22Å; Y74-L119 HydrophobicContact CE2-CB 3.82Å; Y74-L119 HydrophobicContact CG-CB 4.41Å; L119-L123 HydrophobicContact CD1-CB 4.11Å; L119-L123 HydrophobicContact CD1-CD2 3.78Å; L119-L123 HydrophobicContact CD1-CG 3.68Å; L119-L127 HydrophobicContact CD1-CD1 3.9Å; L119-L162 HydrophobicContact CD2-CB 4.44Å; L119-A163 HydrophobicContact CD2-CB 4.09Å
120	S	92.4	Very high	91.6	Very high	12 Å²	12	52.3 Å²	52.3	8%	0.084	28%	0.279	C	S	.	.			trans	-63.8	154.1	179.2	56.4	0	0	0	0	111.3	E113 E122 L123 Y124	E113-S120 WeakPolarHBondContact OE2-CB 3.27Å; E113-S120 PolarHBondContact OE2-OG 3.42Å; S120-E122 PolarHBondContact O-N 3.15Å; S120-L123 PolarHBondContact O-N 2.99Å; S120-L123 WeakPolarHBondContact OG-CB 3.23Å; S120-L123 PolarHBondContact OG-N 3.3Å; S120-Y124 WeakPolarHBondContact O-CB 3.39Å; S120-Y124 PolarHBondContact O-N 2.86Å
121	T	93.4	Very high	91.9	Very high	112 Å²	112	52.6 Å²	52.6	69%	0.687	28%	0.279	S	S	*	.	H	α-helix	trans	-58.2	-37	176.7	-54.4	0	0	0	0	111.8	S125	T121-S125 WeakPolarHBondContact O-CB 3.47Å; T121-S125 PolarHBondContact O-N 3.02Å
122	E	94.1	Very high	92.3	Very high	138 Å²	138	56.6 Å²	56.6	65%	0.645	30%	0.298	S	S	*	.	H	α-helix	trans	-63.9	-49.7	175.9	-65.7	174.4	-174.3	0	0	111.3	T106 S120 S125 A126	T106-E122 HydrophobicContact CG2-CB 4.4Å; S120-E122 PolarHBondContact O-N 3.15Å; E122-S125 PolarHBondContact O-N 3.42Å; E122-A126 WeakPolarHBondContact O-CB 3.26Å; E122-A126 PolarHBondContact O-N 3.22Å
123	L	95.3	Very high	92.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-39.8	178.3	-179	56.8	0	0	0	112.4	V78 L107 C110 L119 S120 A126 L127	V78-L123 HydrophobicContact CG2-CD1 4.43Å; V78-L123 HydrophobicContact CG2-CD2 4.03Å; L107-L123 HydrophobicContact CD1-CD1 3.89Å; C110-L123 HydrophobicContact CB-CB 4.26Å; C110-L123 HydrophobicContact CB-CD1 4.15Å; C110-L123 HydrophobicContact CB-CD2 4.19Å; C110-L123 HydrophobicContact CB-CG 4.44Å; L119-L123 HydrophobicContact CD1-CB 4.11Å; L119-L123 HydrophobicContact CD1-CD2 3.78Å; L119-L123 HydrophobicContact CD1-CG 3.68Å; S120-L123 PolarHBondContact O-N 2.99Å; S120-L123 WeakPolarHBondContact OG-CB 3.23Å; S120-L123 PolarHBondContact OG-N 3.3Å; L123-A126 PolarHBondContact O-N 3.18Å; L123-L127 HydrophobicContact CD1-CD1 4.29Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.15Å; L123-L127 WeakPolarHBondContact O-CB 3.23Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.35Å; L123-L127 PolarHBondContact O-N 3.22Å
124	Y	96.3	Very high	93.4	Very high	60 Å²	60	49 Å²	49	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-50.1	172	158.2	-104.2	0	0	0	111.1	S120 A126 L127 H128 L159 D160 A163	S120-Y124 WeakPolarHBondContact O-CB 3.39Å; S120-Y124 PolarHBondContact O-N 2.86Å; Y124-A126 VanDerWaalsContact C-N 3.32Å; Y124-A126 PolarHBondContact O-N 3.42Å; Y124-L127 PolarHBondContact O-N 3.14Å; Y124-H128 HydrophobicContact CE2-CB 4.25Å; Y124-H128 VanDerWaalsContact O-CB 3.28Å; Y124-H128 WeakPolarHBondContact O-CB 3.48Å; Y124-H128 PolarHBondContact O-N 3.29Å; Y124-L159 HydrophobicContact CD2-CB 4.25Å; Y124-L159 HydrophobicContact CE2-CB 4.06Å; Y124-D160 WeakPolarHBondContact CE2-OD1 3.31Å; Y124-D160 PolarHBondContact OH-OD1 3.3Å; Y124-A163 HydrophobicContact CD1-CB 4.34Å; Y124-A163 HydrophobicContact CD2-CB 3.37Å; Y124-A163 HydrophobicContact CE2-CB 3.85Å; Y124-A163 HydrophobicContact CG-CB 3.64Å
125	S	97.2	Very high	94.3	Very high	53 Å²	53	49.2 Å²	49.2	37%	0.371	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-46.9	179	-177.8	0	0	0	0	110.9	T121 E122 H128 Q129	T121-S125 WeakPolarHBondContact O-CB 3.47Å; T121-S125 PolarHBondContact O-N 3.02Å; E122-S125 PolarHBondContact O-N 3.42Å; S125-H128 PolarHBondContact O-N 2.7Å; S125-Q129 WeakPolarHBondContact O-CB 3.33Å; S125-Q129 VanDerWaalsContact O-CG 3.26Å; S125-Q129 WeakPolarHBondContact O-CG 3.43Å; S125-Q129 PolarHBondContact O-N 3.46Å
126	A	97.8	Very high	95.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-49.2	177.5	0	0	0	0	0	112.1	D103 T106 E122 L123 Y124 H128 Q129 L130	D103-A126 HydrophobicContact CB-CB 4Å; T106-A126 HydrophobicContact CG2-CB 4.09Å; E122-A126 WeakPolarHBondContact O-CB 3.26Å; E122-A126 PolarHBondContact O-N 3.22Å; L123-A126 PolarHBondContact O-N 3.18Å; Y124-A126 VanDerWaalsContact C-N 3.32Å; Y124-A126 PolarHBondContact O-N 3.42Å; A126-H128 VanDerWaalsContact C-N 3.33Å; A126-H128 PolarHBondContact O-N 3.43Å; A126-Q129 PolarHBondContact O-N 3.25Å; A126-L130 VanDerWaalsContact O-CB 3.28Å; A126-L130 WeakPolarHBondContact O-CB 3.22Å; A126-L130 WeakPolarHBondContact O-CD1 3.4Å; A126-L130 WeakPolarHBondContact O-CG 3.24Å; A126-L130 PolarHBondContact O-N 2.83Å
127	L	98.2	Very high	95.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-43.5	177.2	-74.7	169.3	0	0	0	112.1	T77 V78 M81 L107 L119 L123 Y124 W131 L159	T77-L127 HydrophobicContact CG2-CD1 4.31Å; V78-L127 HydrophobicContact CG2-CD1 4.2Å; M81-L127 HydrophobicContact CB-CD2 3.67Å; M81-L127 HydrophobicContact CE-CD2 4.44Å; M81-L127 HydrophobicContact CG-CD2 3.9Å; L107-L127 HydrophobicContact CD1-CD2 3.67Å; L107-L127 HydrophobicContact CD1-CG 4.32Å; L119-L127 HydrophobicContact CD1-CD1 3.9Å; L123-L127 HydrophobicContact CD1-CD1 4.29Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.15Å; L123-L127 WeakPolarHBondContact O-CB 3.23Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.35Å; L123-L127 PolarHBondContact O-N 3.22Å; Y124-L127 PolarHBondContact O-N 3.14Å; L127-W131 WeakPolarHBondContact O-CB 3.41Å; L127-W131 PolarHBondContact O-N 3.42Å; L127-L159 HydrophobicContact CB-CD1 3.96Å; L127-L159 HydrophobicContact CB-CD2 3.91Å; L127-L159 HydrophobicContact CD1-CD2 3.97Å
128	H	98.2	Very high	96.5	Very high	59 Å²	59	46.7 Å²	46.7	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-46	-179.4	-176.3	-81.2	0	0	0	111.1	Y124 S125 A126 W131 N132 L159 D160	Y124-H128 HydrophobicContact CE2-CB 4.25Å; Y124-H128 VanDerWaalsContact O-CB 3.28Å; Y124-H128 WeakPolarHBondContact O-CB 3.48Å; Y124-H128 PolarHBondContact O-N 3.29Å; S125-H128 PolarHBondContact O-N 2.7Å; A126-H128 VanDerWaalsContact C-N 3.33Å; A126-H128 PolarHBondContact O-N 3.43Å; H128-W131 PolarHBondContact O-N 3.05Å; H128-N132 PolarHBondContact CE1-ND2 3.12Å; H128-N132 PolarHBondContact ND1-ND2 3.08Å; H128-N132 PolarHBondContact O-N 2.99Å; H128-N132 PolarHBondContact O-ND2 3.34Å; H128-L159 HydrophobicContact CB-CD1 4.36Å; H128-D160 IonicContact CD2-OD1 2.6Å
129	Q	98.5	Very high	97.1	Very high	73 Å²	73	40 Å²	40	34%	0.341	21%	0.211	S	C	.	.	H	α-helix	trans	-69.2	-41	179.1	-65	-67.6	32.1	0	0	112.5	R100 S125 A126 N132 D133	R100-Q129 WeakPolarHBondContact CD-O 3.39Å; S125-Q129 WeakPolarHBondContact O-CB 3.33Å; S125-Q129 VanDerWaalsContact O-CG 3.26Å; S125-Q129 WeakPolarHBondContact O-CG 3.43Å; S125-Q129 PolarHBondContact O-N 3.46Å; A126-Q129 PolarHBondContact O-N 3.25Å; Q129-N132 PolarHBondContact O-N 3.48Å; Q129-D133 PolarHBondContact O-N 2.84Å
130	L	98.7	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-45.2	174.8	-71.1	168.3	0	0	0	111	M81 I85 F95 R100 D103 A104 L107 A126 N132 D133 V136	M81-L130 HydrophobicContact CE-CB 3.91Å; M81-L130 HydrophobicContact CG-CD1 4.08Å; M81-L130 HydrophobicContact SD-CB 3.93Å; M81-L130 HydrophobicContact SD-CD1 4.47Å; I85-L130 HydrophobicContact CD1-CD2 4.1Å; F95-L130 HydrophobicContact CD1-CD2 4.48Å; F95-L130 HydrophobicContact CE1-CD2 3.66Å; F95-L130 HydrophobicContact CZ-CD2 4.12Å; R100-L130 HydrophobicContact CB-CD2 4.12Å; D103-L130 HydrophobicContact CB-CD1 4.26Å; D103-L130 HydrophobicContact CB-CD2 4.06Å; D103-L130 HydrophobicContact CB-CG 3.85Å; A104-L130 HydrophobicContact CB-CD2 4.29Å; L107-L130 HydrophobicContact CB-CD1 4.2Å; L107-L130 HydrophobicContact CD2-CD1 3.95Å; A126-L130 VanDerWaalsContact O-CB 3.28Å; A126-L130 WeakPolarHBondContact O-CB 3.22Å; A126-L130 WeakPolarHBondContact O-CD1 3.4Å; A126-L130 WeakPolarHBondContact O-CG 3.24Å; A126-L130 PolarHBondContact O-N 2.83Å; L130-N132 PolarHBondContact O-N 3.03Å; L130-D133 WeakPolarHBondContact O-CB 3.41Å; L130-D133 PolarHBondContact O-N 2.92Å; L130-D133 VanDerWaalsContact O-N 3.14Å; L130-V136 WeakPolarHBondContact O-CB 3.48Å; L130-V136 VanDerWaalsContact O-CG1 3.3Å; L130-V136 WeakPolarHBondContact O-CG1 3.4Å; L130-V136 WeakPolarHBondContact O-CG2 3.49Å
131	W	98.6	Very high	97.6	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-31.1	-179.2	-175.3	-124.5	0	0	0	113.1	M81 I84 L127 H128 D133 V136 Q137 F140 F156 N157	M81-W131 HydrophobicContact CE-CB 3.93Å; M81-W131 HydrophobicContact CE-CE3 4.34Å; I84-W131 HydrophobicContact CD1-CZ3 4.34Å; L127-W131 WeakPolarHBondContact O-CB 3.41Å; L127-W131 PolarHBondContact O-N 3.42Å; H128-W131 PolarHBondContact O-N 3.05Å; W131-D133 VanDerWaalsContact C-N 3.35Å; W131-V136 HydrophobicContact CE3-CG1 4.33Å; W131-Q137 VanDerWaalsContact CD2-NE2 3.25Å; W131-Q137 VanDerWaalsContact CE2-NE2 3.27Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.29Å; W131-Q137 VanDerWaalsContact CZ3-NE2 3.35Å; W131-Q137 PolarHBondContact O-NE2 2.82Å; W131-F140 HydrophobicContact CH2-CB 4.32Å; W131-F140 AromaticContact CH2-CD1 3.73Å; W131-F140 HydrophobicContact CH2-CD1 3.73Å; W131-F140 AromaticContact CH2-CD2 3.83Å; W131-F140 HydrophobicContact CH2-CD2 3.83Å; W131-F140 AromaticContact CH2-CE1 3.98Å; W131-F140 HydrophobicContact CH2-CE1 3.98Å; W131-F140 HydrophobicContact CH2-CE2 4.07Å; W131-F140 AromaticContact CH2-CG 3.66Å; W131-F140 HydrophobicContact CH2-CG 3.66Å; W131-F140 HydrophobicContact CH2-CZ 4.15Å; W131-F140 HydrophobicContact CZ3-CB 4.04Å; W131-F140 HydrophobicContact CZ3-CD1 4.3Å; W131-F140 AromaticContact CZ3-CD2 3.87Å; W131-F140 HydrophobicContact CZ3-CD2 3.87Å; W131-F140 HydrophobicContact CZ3-CE2 4.47Å; W131-F140 AromaticContact CZ3-CG 3.79Å; W131-F140 HydrophobicContact CZ3-CG 3.79Å; W131-F156 HydrophobicContact CB-CB 4.38Å; W131-F156 HydrophobicContact CD2-CB 3.47Å; W131-F156 VanDerWaalsContact CD2-CB 3.47Å; W131-F156 AromaticContact CD2-CD2 3.7Å; W131-F156 HydrophobicContact CD2-CD2 3.7Å; W131-F156 AromaticContact CD2-CG 3.81Å; W131-F156 HydrophobicContact CD2-CG 3.81Å; W131-F156 VanDerWaalsContact CE2-CB 3.47Å; W131-F156 HydrophobicContact CE3-CB 4.11Å; W131-F156 AromaticContact CE3-CD2 3.38Å; W131-F156 HydrophobicContact CE3-CD2 3.38Å; W131-F156 AromaticContact CE3-CE2 3.96Å; W131-F156 HydrophobicContact CE3-CE2 3.96Å; W131-F156 AromaticContact CE3-CG 3.93Å; W131-F156 HydrophobicContact CE3-CG 3.93Å; W131-F156 HydrophobicContact CG-CB 3.58Å; W131-F156 HydrophobicContact CG-CD2 4.5Å; W131-F156 HydrophobicContact CG-CG 4.16Å; W131-F156 AromaticContact CH2-CD2 3.82Å; W131-F156 HydrophobicContact CH2-CD2 3.82Å; W131-F156 HydrophobicContact CZ2-CB 4.11Å; W131-F156 HydrophobicContact CZ2-CD2 4.07Å; W131-F156 AromaticContact CZ3-CD2 3.46Å; W131-F156 HydrophobicContact CZ3-CD2 3.46Å; W131-F156 VanDerWaalsContact CZ3-CD2 3.46Å; W131-F156 AromaticContact CZ3-CE2 3.91Å; W131-F156 HydrophobicContact CZ3-CE2 3.91Å; W131-F156 HydrophobicContact CZ3-CG 4.4Å; W131-N157 PolarHBondContact NE1-OD1 2.93Å
132	N	98.4	Very high	97.8	Very high	97 Å²	97	47.5 Å²	47.5	52%	0.519	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-3	178.3	-71.1	-60.9	0	0	0	114.2	H128 Q129 L130	H128-N132 PolarHBondContact CE1-ND2 3.12Å; H128-N132 PolarHBondContact ND1-ND2 3.08Å; H128-N132 PolarHBondContact O-N 2.99Å; H128-N132 PolarHBondContact O-ND2 3.34Å; Q129-N132 PolarHBondContact O-N 3.48Å; L130-N132 PolarHBondContact O-N 3.03Å
133	D	98.7	Very high	97.9	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.032	21%	0.211	C	C	.	.			trans	-75.2	134.4	177.9	178	86	0	0	0	112.2	E96 D97 R100 Q129 L130 W131 G135 V136 Q137	E96-D133 WeakPolarHBondContact CB-OD1 3.33Å; E96-D133 PolarHBondContact N-OD1 2.82Å; E96-D133 PolarHBondContact N-OD2 3.43Å; D97-D133 PolarHBondContact N-OD1 2.75Å; D97-D133 VanDerWaalsContact N-OD1 3.08Å; R100-D133 HydrophobicContact CG-CB 4.03Å; Q129-D133 PolarHBondContact O-N 2.84Å; L130-D133 WeakPolarHBondContact O-CB 3.41Å; L130-D133 PolarHBondContact O-N 2.92Å; L130-D133 VanDerWaalsContact O-N 3.14Å; W131-D133 VanDerWaalsContact C-N 3.35Å; D133-G135 VanDerWaalsContact C-N 3.3Å; D133-G135 PolarHBondContact O-N 2.89Å; D133-G135 VanDerWaalsContact OD2-CA 3.23Å; D133-G135 WeakPolarHBondContact OD2-CA 3.33Å; D133-G135 PolarHBondContact OD2-N 3.13Å; D133-V136 HydrophobicContact CB-CB 4.18Å; D133-V136 HydrophobicContact CB-CG2 3.96Å; D133-V136 PolarHBondContact O-N 3.2Å; D133-V136 PolarHBondContact OD2-N 3.27Å; D133-Q137 WeakPolarHBondContact O-CG 3.41Å; D133-Q137 PolarHBondContact O-N 2.85Å
134	G	98.5	Very high	97.8	Very high	28 Å²	28	47.9 Å²	47.9	29%	0.289	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-34	-179.7	0	0	0	0	0	114.3	E96 Q138	E96-G134 WeakPolarHBondContact OE2-CA 3.4Å; E96-G134 PolarHBondContact OE2-N 3.08Å; E96-G134 VanDerWaalsContact OE2-N 3.08Å; G134-Q138 WeakPolarHBondContact O-CB 3.31Å; G134-Q138 PolarHBondContact O-N 3.06Å
135	G	98.6	Very high	97.8	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-69.5	-42.3	175.8	0	0	0	0	0	112.6	I93 K94 D133 Q138 C139	I93-G135 WeakPolarHBondContact CG2-O 3.48Å; K94-G135 WeakPolarHBondContact O-CA 3.43Å; D133-G135 VanDerWaalsContact C-N 3.3Å; D133-G135 PolarHBondContact O-N 2.89Å; D133-G135 VanDerWaalsContact OD2-CA 3.23Å; D133-G135 WeakPolarHBondContact OD2-CA 3.33Å; D133-G135 PolarHBondContact OD2-N 3.13Å; G135-Q138 WeakPolarHBondContact O-CB 3.34Å; G135-Q138 PolarHBondContact O-N 3.1Å; G135-C139 PolarHBondContact O-N 3.3Å
136	V	98.7	Very high	97.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-45.6	173	176.2	0	0	0	0	110.5	M81 I84 I85 M88 F95 L130 W131 D133 Q138 C139 F140	M81-V136 HydrophobicContact SD-CG1 4.07Å; I84-V136 HydrophobicContact CG2-CG1 3.9Å; I85-V136 HydrophobicContact CD1-CG2 3.88Å; M88-V136 HydrophobicContact CE-CG2 4.2Å; M88-V136 HydrophobicContact SD-CB 4.38Å; M88-V136 HydrophobicContact SD-CG2 3.67Å; F95-V136 HydrophobicContact CD1-CG2 4Å; F95-V136 HydrophobicContact CE1-CG2 3.75Å; L130-V136 WeakPolarHBondContact O-CB 3.48Å; L130-V136 VanDerWaalsContact O-CG1 3.3Å; L130-V136 WeakPolarHBondContact O-CG1 3.4Å; L130-V136 WeakPolarHBondContact O-CG2 3.49Å; W131-V136 HydrophobicContact CE3-CG1 4.33Å; D133-V136 HydrophobicContact CB-CB 4.18Å; D133-V136 HydrophobicContact CB-CG2 3.96Å; D133-V136 PolarHBondContact O-N 3.2Å; D133-V136 PolarHBondContact OD2-N 3.27Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 3.45Å; V136-C139 PolarHBondContact O-N 3.24Å; V136-F140 WeakPolarHBondContact O-CB 3.47Å; V136-F140 PolarHBondContact O-N 2.73Å
137	Q	98.7	Very high	97.7	Very high	53 Å²	53	51 Å²	51	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-39.2	175.8	-73.6	-62.6	-39.6	0	0	112.6	W131 D133 C139 F140 K141	W131-Q137 VanDerWaalsContact CD2-NE2 3.25Å; W131-Q137 VanDerWaalsContact CE2-NE2 3.27Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.29Å; W131-Q137 VanDerWaalsContact CZ3-NE2 3.35Å; W131-Q137 PolarHBondContact O-NE2 2.82Å; D133-Q137 WeakPolarHBondContact O-CG 3.41Å; D133-Q137 PolarHBondContact O-N 2.85Å; Q137-C139 VanDerWaalsContact C-N 3.35Å; Q137-F140 PolarHBondContact O-N 2.88Å; Q137-K141 WeakPolarHBondContact O-CG 3.39Å; Q137-K141 PolarHBondContact O-N 2.77Å; Q137-K141 VanDerWaalsContact O-N 3.14Å
138	Q	98.4	Very high	97.7	Very high	108 Å²	108	52.1 Å²	52.1	51%	0.505	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-42.7	174	-174.4	-175.4	20.4	0	0	111.5	I93 G134 G135 V136 K141	I93-Q138 HydrophobicContact CD1-CG 4.45Å; I93-Q138 HydrophobicContact CG2-CB 4.41Å; G134-Q138 WeakPolarHBondContact O-CB 3.31Å; G134-Q138 PolarHBondContact O-N 3.06Å; G135-Q138 WeakPolarHBondContact O-CB 3.34Å; G135-Q138 PolarHBondContact O-N 3.1Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 3.45Å; Q138-K141 PolarHBondContact O-N 3.17Å
139	C	98.6	Very high	97.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-38.6	177.4	-169.4	0	0	0	0	112.3	I84 M88 I93 G135 V136 Q137 K141 R142 S143 Y146	I84-C139 HydrophobicContact CG2-CB 3.95Å; M88-C139 HydrophobicContact CG-CB 3.46Å; M88-C139 VanDerWaalsContact CG-CB 3.46Å; M88-C139 VanDerWaalsContact CG-SG 3.57Å; M88-C139 PolarHBondContact N-SG 2.78Å; M88-C139 HydrophobicContact SD-CB 4.46Å; I93-C139 HydrophobicContact CD1-CB 3.72Å; G135-C139 PolarHBondContact O-N 3.3Å; V136-C139 PolarHBondContact O-N 3.24Å; Q137-C139 VanDerWaalsContact C-N 3.35Å; C139-K141 VanDerWaalsContact C-N 3.31Å; C139-K141 PolarHBondContact O-N 3.27Å; C139-R142 CarbonylContact O-C 3.49Å; C139-R142 WeakPolarHBondContact O-CA 3.48Å; C139-R142 PolarHBondContact O-N 2.95Å; C139-S143 PolarHBondContact O-N 3.17Å; C139-Y146 WeakPolarHBondContact O-CE1 3.44Å; C139-Y146 PolarHBondContact O-OH 3.33Å
140	F	98.3	Very high	97.3	Very high	45 Å²	45	50.3 Å²	50.3	20%	0.197	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-39.8	175.2	178.1	-101.7	0	0	0	112.5	I84 W131 V136 Q137 R142 S143 Y146 L148 A152	I84-F140 HydrophobicContact CD1-CD2 4Å; W131-F140 HydrophobicContact CH2-CB 4.32Å; W131-F140 AromaticContact CH2-CD1 3.73Å; W131-F140 HydrophobicContact CH2-CD1 3.73Å; W131-F140 AromaticContact CH2-CD2 3.83Å; W131-F140 HydrophobicContact CH2-CD2 3.83Å; W131-F140 AromaticContact CH2-CE1 3.98Å; W131-F140 HydrophobicContact CH2-CE1 3.98Å; W131-F140 HydrophobicContact CH2-CE2 4.07Å; W131-F140 AromaticContact CH2-CG 3.66Å; W131-F140 HydrophobicContact CH2-CG 3.66Å; W131-F140 HydrophobicContact CH2-CZ 4.15Å; W131-F140 HydrophobicContact CZ3-CB 4.04Å; W131-F140 HydrophobicContact CZ3-CD1 4.3Å; W131-F140 AromaticContact CZ3-CD2 3.87Å; W131-F140 HydrophobicContact CZ3-CD2 3.87Å; W131-F140 HydrophobicContact CZ3-CE2 4.47Å; W131-F140 AromaticContact CZ3-CG 3.79Å; W131-F140 HydrophobicContact CZ3-CG 3.79Å; V136-F140 WeakPolarHBondContact O-CB 3.47Å; V136-F140 PolarHBondContact O-N 2.73Å; Q137-F140 PolarHBondContact O-N 2.88Å; F140-R142 PolarHBondContact O-N 3.12Å; F140-R142 VanDerWaalsContact O-N 3.17Å; F140-S143 WeakPolarHBondContact O-CB 3.32Å; F140-S143 PolarHBondContact O-N 2.83Å; F140-S143 PolarHBondContact O-OG 3.36Å; F140-Y146 WeakPolarHBondContact CA-OH 3.49Å; F140-L148 HydrophobicContact CD2-CD2 3.54Å; F140-L148 HydrophobicContact CE2-CD2 3.57Å; F140-A152 HydrophobicContact CE2-CB 4.41Å
141	K	96.8	Very high	97.2	Very high	171 Å²	171	51.2 Å²	51.2	74%	0.743	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.5	174.8	-70.8	171.6	-176.4	175	0	113.6	Q137 Q138 C139	Q137-K141 WeakPolarHBondContact O-CG 3.39Å; Q137-K141 PolarHBondContact O-N 2.77Å; Q137-K141 VanDerWaalsContact O-N 3.14Å; Q138-K141 PolarHBondContact O-N 3.17Å; C139-K141 VanDerWaalsContact C-N 3.31Å; C139-K141 PolarHBondContact O-N 3.27Å
142	R	96.6	Very high	97.2	Very high	84 Å²	84	50.4 Å²	50.4	32%	0.317	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	19.6	175.3	-65.5	176.1	67.2	-175.5	1.2	112.3	L91 C139 F140 R144 E145 Y146	L91-R142 HydrophobicContact CD1-CB 4.15Å; C139-R142 CarbonylContact O-C 3.49Å; C139-R142 WeakPolarHBondContact O-CA 3.48Å; C139-R142 PolarHBondContact O-N 2.95Å; F140-R142 PolarHBondContact O-N 3.12Å; F140-R142 VanDerWaalsContact O-N 3.17Å; R142-R144 PolarHBondContact O-N 3.07Å; R142-E145 WeakPolarHBondContact CB-OE1 3.49Å; R142-E145 IonicContact CZ-OE1 3.52Å; R142-E145 IonicContact CZ-OE2 3.47Å; R142-E145 IonicContact NE-OE1 2.77Å; R142-E145 PolarHBondContact NE-OE1 3.41Å; R142-E145 IonicContact NE-OE2 3.46Å; R142-E145 PolarHBondContact NE-OE2 3.1Å; R142-E145 IonicContact NH2-OE1 3.39Å; R142-E145 PolarHBondContact NH2-OE1 3.13Å; R142-E145 IonicContact NH2-OE2 2.7Å; R142-E145 PolarHBondContact NH2-OE2 2.75Å; R142-E145 WeakPolarHBondContact O-CB 3.46Å; R142-E145 PolarHBondContact O-N 3.23Å; R142-Y146 WeakPolarHBondContact O-CE1 3.13Å
143	S	96.6	Very high	97.2	Very high	37 Å²	37	47.6 Å²	47.6	26%	0.259	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-58	-15.6	-177.1	52.2	0	0	0	0	115.1	C139 F140 E145	C139-S143 PolarHBondContact O-N 3.17Å; F140-S143 WeakPolarHBondContact O-CB 3.32Å; F140-S143 PolarHBondContact O-N 2.83Å; F140-S143 PolarHBondContact O-OG 3.36Å; S143-E145 PolarHBondContact O-N 2.88Å
144	R	94.3	Very high	97.1	Very high	108 Å²	108	50 Å²	50	41%	0.408	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-67.9	-19.1	170.3	72.5	177.7	-175.2	-173.7	1.7	114.6	R142 Y146 L232 S281 I285	R142-R144 PolarHBondContact O-N 3.07Å; R144-Y146 VanDerWaalsContact C-N 3.33Å; R144-L232 HydrophobicContact CB-CD2 3.8Å; R144-S281 PolarHBondContact NH1-OG 3.48Å; R144-I285 VanDerWaalsContact NH1-CD1 3.32Å
145	E	95.4	Very high	97.1	Very high	87 Å²	87	48.7 Å²	48.7	41%	0.407	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-87.3	-3.3	-177.1	-61.5	176.3	-130.3	0	0	112.8	L91 R142 S143	L91-E145 HydrophobicContact CD1-CB 4.46Å; L91-E145 HydrophobicContact CD2-CB 4.4Å; L91-E145 VanDerWaalsContact CD2-OE2 3.32Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.33Å; R142-E145 WeakPolarHBondContact CB-OE1 3.49Å; R142-E145 IonicContact CZ-OE1 3.52Å; R142-E145 IonicContact CZ-OE2 3.47Å; R142-E145 IonicContact NE-OE1 2.77Å; R142-E145 PolarHBondContact NE-OE1 3.41Å; R142-E145 IonicContact NE-OE2 3.46Å; R142-E145 PolarHBondContact NE-OE2 3.1Å; R142-E145 IonicContact NH2-OE1 3.39Å; R142-E145 PolarHBondContact NH2-OE1 3.13Å; R142-E145 IonicContact NH2-OE2 2.7Å; R142-E145 PolarHBondContact NH2-OE2 2.75Å; R142-E145 WeakPolarHBondContact O-CB 3.46Å; R142-E145 PolarHBondContact O-N 3.23Å; S143-E145 PolarHBondContact O-N 2.88Å
146	Y	96.8	Very high	97.1	Very high	27 Å²	27	48.8 Å²	48.8	11%	0.106	23%	0.228	C	C	.	.	S	Bend	trans	-150.9	178.4	178.3	58.2	-84.7	0	0	0	110.8	I84 A87 L91 C139 F140 R142 R144 L148	I84-Y146 HydrophobicContact CG1-CE2 4.17Å; A87-Y146 HydrophobicContact CB-CD1 3.4Å; A87-Y146 HydrophobicContact CB-CD2 3.69Å; A87-Y146 HydrophobicContact CB-CE1 3.57Å; A87-Y146 HydrophobicContact CB-CE2 3.86Å; A87-Y146 HydrophobicContact CB-CG 3.46Å; A87-Y146 VanDerWaalsContact CB-CG 3.46Å; L91-Y146 HydrophobicContact CD1-CD1 4.25Å; L91-Y146 HydrophobicContact CD1-CE1 4.28Å; C139-Y146 WeakPolarHBondContact O-CE1 3.44Å; C139-Y146 PolarHBondContact O-OH 3.33Å; F140-Y146 WeakPolarHBondContact CA-OH 3.49Å; R142-Y146 WeakPolarHBondContact O-CE1 3.13Å; R144-Y146 VanDerWaalsContact C-N 3.33Å; Y146-L148 HydrophobicContact CD2-CB 4.22Å; Y146-L148 HydrophobicContact CE2-CB 3.88Å; Y146-L148 HydrophobicContact CE2-CD1 4.48Å; Y146-L148 HydrophobicContact CE2-CD2 4.2Å; Y146-L148 HydrophobicContact CE2-CG 4.41Å
147	Q	96.6	Very high	97.1	Very high	66 Å²	66	54.4 Å²	54.4	31%	0.308	26%	0.258	S	S	.	.			trans	-91.2	113.3	-179	-58.5	-62.5	-42.2	0	0	109.6	G233 A235	Q147-G233 PolarHBondContact NE2-O 2.98Å; Q147-A235 HydrophobicContact CG-CB 4.42Å
148	L	97.4	Very high	97.1	Very high	24 Å²	24	52.8 Å²	52.8	13%	0.126	25%	0.252	C	S	.	.			trans	-134.2	139.9	176.8	-174	62.5	0	0	0	110.1	S80 A83 I84 F140 Y146 A152	S80-L148 WeakPolarHBondContact O-CD1 3.4Å; A83-L148 HydrophobicContact CB-CD1 4.24Å; I84-L148 HydrophobicContact CD1-CD1 4.23Å; I84-L148 HydrophobicContact CD1-CD2 4.18Å; I84-L148 HydrophobicContact CG1-CD1 3.92Å; I84-L148 HydrophobicContact CG1-CD2 4.08Å; F140-L148 HydrophobicContact CD2-CD2 3.54Å; F140-L148 HydrophobicContact CE2-CD2 3.57Å; Y146-L148 HydrophobicContact CD2-CB 4.22Å; Y146-L148 HydrophobicContact CE2-CB 3.88Å; Y146-L148 HydrophobicContact CE2-CD1 4.48Å; Y146-L148 HydrophobicContact CE2-CD2 4.2Å; Y146-L148 HydrophobicContact CE2-CG 4.41Å; L148-A152 HydrophobicContact CD1-CB 3.93Å; L148-A152 HydrophobicContact CD2-CB 4.2Å; L148-A152 HydrophobicContact CG-CB 4Å
149	N	94.7	Very high	97.1	Very high	42 Å²	42	47.7 Å²	47.7	23%	0.225	23%	0.229	C	C	.	.			trans	-69.4	132.4	175.5	-68.6	-42.5	0	0	0	110.4	S80 S151 A152	S80-N149 PolarHBondContact OG-ND2 3.35Å; N149-S151 PolarHBondContact O-N 2.98Å; N149-A152 WeakPolarHBondContact O-CB 3.48Å; N149-A152 PolarHBondContact O-N 3.44Å
150	D	94.4	Very high	97	Very high	52 Å²	52	52.2 Å²	52.2	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.9	177	-69.2	-12.5	0	0	0	113.7	A152 K270 L273	D150-A152 VanDerWaalsContact C-N 3.27Å; D150-A152 PolarHBondContact O-N 2.99Å; D150-K270 WeakPolarHBondContact OD2-CD 3.45Å; D150-K270 WeakPolarHBondContact OD2-CE 3.37Å; D150-K270 IonicContact OD2-NZ 3.77Å; D150-K270 PolarHBondContact OD2-NZ 2.93Å; D150-L273 HydrophobicContact CB-CD1 3.63Å
151	S	96.6	Very high	97	Very high	19 Å²	19	53.4 Å²	53.4	13%	0.133	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	1.4	178.1	-53.8	0	0	0	0	114.1	N149 S153 Y154 F155 R176	N149-S151 PolarHBondContact O-N 2.98Å; S151-S153 PolarHBondContact O-N 3Å; S151-Y154 WeakPolarHBondContact O-CB 3.35Å; S151-Y154 PolarHBondContact O-N 3.27Å; S151-F155 VanDerWaalsContact O-CD2 3.27Å; S151-F155 WeakPolarHBondContact O-CD2 3.17Å; S151-F155 PolarHBondContact O-N 3.03Å; S151-R176 VanDerWaalsContact CB-O 3.26Å; S151-R176 WeakPolarHBondContact CB-O 3.43Å; S151-R176 PolarHBondContact OG-O 3.47Å
152	A	98.2	Very high	97	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-55.7	-52.9	-176.5	0	0	0	0	0	112.1	F140 L148 N149 D150 Y154 F155 F156	F140-A152 HydrophobicContact CE2-CB 4.41Å; L148-A152 HydrophobicContact CD1-CB 3.93Å; L148-A152 HydrophobicContact CD2-CB 4.2Å; L148-A152 HydrophobicContact CG-CB 4Å; N149-A152 WeakPolarHBondContact O-CB 3.48Å; N149-A152 PolarHBondContact O-N 3.44Å; D150-A152 VanDerWaalsContact C-N 3.27Å; D150-A152 PolarHBondContact O-N 2.99Å; A152-Y154 VanDerWaalsContact C-N 3.31Å; A152-Y154 PolarHBondContact O-N 3.26Å; A152-F155 PolarHBondContact O-N 3.41Å; A152-F156 HydrophobicContact CB-CD2 4.29Å; A152-F156 HydrophobicContact CB-CE2 3.74Å; A152-F156 HydrophobicContact CB-CZ 4.31Å; A152-F156 WeakPolarHBondContact O-CD2 3.43Å; A152-F156 WeakPolarHBondContact O-CG 3.43Å; A152-F156 PolarHBondContact O-N 2.83Å
153	S	97.6	Very high	96.9	Very high	38 Å²	38	43 Å²	43	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-61.3	-38	179.6	57.6	0	0	0	0	112.8	S151 F155 F156 N157	S151-S153 PolarHBondContact O-N 3Å; S153-F155 VanDerWaalsContact C-N 3.34Å; S153-F155 PolarHBondContact O-N 2.95Å; S153-F156 PolarHBondContact O-N 2.71Å; S153-N157 VanDerWaalsContact O-CB 3.25Å; S153-N157 WeakPolarHBondContact O-CB 3.39Å; S153-N157 PolarHBondContact O-N 2.86Å; S153-N157 PolarHBondContact O-ND2 3.21Å
154	Y	98.3	Very high	96.8	Very high	56 Å²	56	47 Å²	47	22%	0.22	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-46.5	176.8	170.6	-95.5	0	0	0	111.9	S151 A152 S158 R161 Q172 D173 R176	S151-Y154 WeakPolarHBondContact O-CB 3.35Å; S151-Y154 PolarHBondContact O-N 3.27Å; A152-Y154 VanDerWaalsContact C-N 3.31Å; A152-Y154 PolarHBondContact O-N 3.26Å; Y154-S158 WeakPolarHBondContact O-CB 3.44Å; Y154-S158 PolarHBondContact O-N 3.15Å; Y154-S158 PolarHBondContact O-OG 3.02Å; Y154-R161 PolarHBondContact OH-NH2 2.91Å; Y154-Q172 HydrophobicContact CE2-CG 3.92Å; Y154-Q172 WeakPolarHBondContact OH-CG 3.43Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.26Å; Y154-D173 PolarHBondContact OH-OD1 2.85Å; Y154-D173 VanDerWaalsContact OH-OD1 3.07Å; Y154-R176 HydrophobicContact CD1-CB 3.95Å; Y154-R176 HydrophobicContact CD1-CG 3.93Å; Y154-R176 HydrophobicContact CE1-CB 4.09Å; Y154-R176 HydrophobicContact CE1-CG 4.03Å; Y154-R176 HydrophobicContact CG-CG 4.23Å
155	F	98.4	Very high	96.7	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-74.4	-40	-179.8	-68.5	-55.2	0	0	0	112.5	V73 N76 T77 S151 A152 S153 N157 S158 L159 L162 D173 R176 T177	V73-F155 HydrophobicContact CB-CE1 4.43Å; V73-F155 HydrophobicContact CG1-CD1 3.87Å; V73-F155 HydrophobicContact CG1-CE1 3.69Å; V73-F155 HydrophobicContact CG1-CZ 4.4Å; V73-F155 HydrophobicContact CG2-CE1 4.2Å; V73-F155 HydrophobicContact CG2-CZ 4.43Å; N76-F155 HydrophobicContact CB-CE2 4.41Å; T77-F155 HydrophobicContact CG2-CB 4.19Å; T77-F155 WeakPolarHBondContact OG1-CB 3.49Å; S151-F155 VanDerWaalsContact O-CD2 3.27Å; S151-F155 WeakPolarHBondContact O-CD2 3.17Å; S151-F155 PolarHBondContact O-N 3.03Å; A152-F155 PolarHBondContact O-N 3.41Å; S153-F155 VanDerWaalsContact C-N 3.34Å; S153-F155 PolarHBondContact O-N 2.95Å; F155-N157 VanDerWaalsContact C-N 3.35Å; F155-N157 PolarHBondContact O-N 2.9Å; F155-S158 CarbonylContact O-C 3.56Å; F155-S158 WeakPolarHBondContact O-CA 3.25Å; F155-S158 PolarHBondContact O-N 2.98Å; F155-L159 PolarHBondContact O-N 3.47Å; F155-L162 HydrophobicContact CB-CD1 4.21Å; F155-L162 HydrophobicContact CD1-CD1 4.14Å; F155-D173 HydrophobicContact CE1-CB 4.4Å; F155-R176 HydrophobicContact CE1-CB 4.5Å; F155-R176 HydrophobicContact CE2-CB 4.27Å; F155-R176 HydrophobicContact CZ-CB 3.82Å; F155-T177 HydrophobicContact CZ-CG2 4.37Å
156	F	98.6	Very high	96.6	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-41.6	176.4	-59.9	-38.4	0	0	0	112.5	T77 M81 I84 W131 A152 S153 S158 L159	T77-F156 HydrophobicContact CG2-CD1 3.92Å; T77-F156 HydrophobicContact CG2-CE1 3.94Å; T77-F156 WeakPolarHBondContact O-CE1 3.19Å; M81-F156 HydrophobicContact CB-CE1 3.92Å; M81-F156 HydrophobicContact CB-CZ 3.95Å; M81-F156 HydrophobicContact CE-CD1 4.14Å; M81-F156 HydrophobicContact CE-CE1 3.85Å; M81-F156 HydrophobicContact CE-CE2 4.43Å; M81-F156 HydrophobicContact CE-CZ 4Å; I84-F156 HydrophobicContact CD1-CE2 3.62Å; I84-F156 HydrophobicContact CD1-CZ 4.08Å; W131-F156 HydrophobicContact CB-CB 4.38Å; W131-F156 HydrophobicContact CD2-CB 3.47Å; W131-F156 VanDerWaalsContact CD2-CB 3.47Å; W131-F156 AromaticContact CD2-CD2 3.7Å; W131-F156 HydrophobicContact CD2-CD2 3.7Å; W131-F156 AromaticContact CD2-CG 3.81Å; W131-F156 HydrophobicContact CD2-CG 3.81Å; W131-F156 VanDerWaalsContact CE2-CB 3.47Å; W131-F156 HydrophobicContact CE3-CB 4.11Å; W131-F156 AromaticContact CE3-CD2 3.38Å; W131-F156 HydrophobicContact CE3-CD2 3.38Å; W131-F156 AromaticContact CE3-CE2 3.96Å; W131-F156 HydrophobicContact CE3-CE2 3.96Å; W131-F156 AromaticContact CE3-CG 3.93Å; W131-F156 HydrophobicContact CE3-CG 3.93Å; W131-F156 HydrophobicContact CG-CB 3.58Å; W131-F156 HydrophobicContact CG-CD2 4.5Å; W131-F156 HydrophobicContact CG-CG 4.16Å; W131-F156 AromaticContact CH2-CD2 3.82Å; W131-F156 HydrophobicContact CH2-CD2 3.82Å; W131-F156 HydrophobicContact CZ2-CB 4.11Å; W131-F156 HydrophobicContact CZ2-CD2 4.07Å; W131-F156 AromaticContact CZ3-CD2 3.46Å; W131-F156 HydrophobicContact CZ3-CD2 3.46Å; W131-F156 VanDerWaalsContact CZ3-CD2 3.46Å; W131-F156 AromaticContact CZ3-CE2 3.91Å; W131-F156 HydrophobicContact CZ3-CE2 3.91Å; W131-F156 HydrophobicContact CZ3-CG 4.4Å; A152-F156 HydrophobicContact CB-CD2 4.29Å; A152-F156 HydrophobicContact CB-CE2 3.74Å; A152-F156 HydrophobicContact CB-CZ 4.31Å; A152-F156 WeakPolarHBondContact O-CD2 3.43Å; A152-F156 WeakPolarHBondContact O-CG 3.43Å; A152-F156 PolarHBondContact O-N 2.83Å; S153-F156 PolarHBondContact O-N 2.71Å; F156-S158 PolarHBondContact O-N 3.42Å; F156-L159 WeakPolarHBondContact O-CD1 3.14Å; F156-L159 WeakPolarHBondContact O-CG 3.46Å; F156-L159 PolarHBondContact O-N 3.13Å
157	N	98.3	Very high	96.5	Very high	119 Å²	119	51.9 Å²	51.9	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.7	174.7	-65.8	-18.6	0	0	0	113.1	W131 S153 F155	W131-N157 PolarHBondContact NE1-OD1 2.93Å; S153-N157 VanDerWaalsContact O-CB 3.25Å; S153-N157 WeakPolarHBondContact O-CB 3.39Å; S153-N157 PolarHBondContact O-N 2.86Å; S153-N157 PolarHBondContact O-ND2 3.21Å; F155-N157 VanDerWaalsContact C-N 3.35Å; F155-N157 PolarHBondContact O-N 2.9Å
158	S	98.1	Very high	96.5	Very high	18 Å²	18	51.3 Å²	51.3	13%	0.126	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	4.6	177.4	-65.1	0	0	0	0	113.2	Y154 F155 F156 D160 R161 L162	Y154-S158 WeakPolarHBondContact O-CB 3.44Å; Y154-S158 PolarHBondContact O-N 3.15Å; Y154-S158 PolarHBondContact O-OG 3.02Å; F155-S158 CarbonylContact O-C 3.56Å; F155-S158 WeakPolarHBondContact O-CA 3.25Å; F155-S158 PolarHBondContact O-N 2.98Å; F156-S158 PolarHBondContact O-N 3.42Å; S158-D160 VanDerWaalsContact C-N 3.27Å; S158-D160 PolarHBondContact O-N 2.89Å; S158-D160 VanDerWaalsContact O-N 3.13Å; S158-R161 VanDerWaalsContact CB-NH2 3.35Å; S158-R161 WeakPolarHBondContact O-CA 3.16Å; S158-R161 WeakPolarHBondContact O-CB 3.37Å; S158-R161 PolarHBondContact O-N 2.98Å; S158-R161 PolarHBondContact OG-NH2 2.99Å; S158-R161 VanDerWaalsContact OG-NH2 3.1Å; S158-L162 WeakPolarHBondContact O-CG 3.29Å; S158-L162 PolarHBondContact O-N 2.92Å
159	L	98	Very high	96.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-51.2	-43.1	-170.6	-79.2	167.2	0	0	0	113.5	T77 Y124 L127 H128 F155 F156 R161 L162 A163	T77-L159 HydrophobicContact CG2-CD2 4.05Å; Y124-L159 HydrophobicContact CD2-CB 4.25Å; Y124-L159 HydrophobicContact CE2-CB 4.06Å; L127-L159 HydrophobicContact CB-CD1 3.96Å; L127-L159 HydrophobicContact CB-CD2 3.91Å; L127-L159 HydrophobicContact CD1-CD2 3.97Å; H128-L159 HydrophobicContact CB-CD1 4.36Å; F155-L159 PolarHBondContact O-N 3.47Å; F156-L159 WeakPolarHBondContact O-CD1 3.14Å; F156-L159 WeakPolarHBondContact O-CG 3.46Å; F156-L159 PolarHBondContact O-N 3.13Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 3.47Å; L159-L162 PolarHBondContact O-N 2.8Å; L159-L162 VanDerWaalsContact O-N 3.11Å; L159-A163 WeakPolarHBondContact O-CB 3.39Å; L159-A163 PolarHBondContact O-N 2.83Å
160	D	97.1	Very high	96.6	Very high	94 Å²	94	51.3 Å²	51.3	50%	0.503	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-34.2	178.6	-61.7	-21.6	0	0	0	113.1	Y124 H128 S158 K164	Y124-D160 WeakPolarHBondContact CE2-OD1 3.31Å; Y124-D160 PolarHBondContact OH-OD1 3.3Å; H128-D160 IonicContact CD2-OD1 2.6Å; S158-D160 VanDerWaalsContact C-N 3.27Å; S158-D160 PolarHBondContact O-N 2.89Å; S158-D160 VanDerWaalsContact O-N 3.13Å; D160-K164 WeakPolarHBondContact O-CG 3.3Å
161	R	97.5	Very high	96.7	Very high	70 Å²	70	50.8 Å²	50.8	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-74.7	-40.5	174.7	179.1	178.2	61.8	85	0	111	Y154 S158 L159 A163 K164 D173	Y154-R161 PolarHBondContact OH-NH2 2.91Å; S158-R161 VanDerWaalsContact CB-NH2 3.35Å; S158-R161 WeakPolarHBondContact O-CA 3.16Å; S158-R161 WeakPolarHBondContact O-CB 3.37Å; S158-R161 PolarHBondContact O-N 2.98Å; S158-R161 PolarHBondContact OG-NH2 2.99Å; S158-R161 VanDerWaalsContact OG-NH2 3.1Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 3.47Å; R161-A163 VanDerWaalsContact C-N 3.32Å; R161-K164 PolarHBondContact O-N 3.5Å; R161-D173 IonicContact CZ-OD1 2.78Å; R161-D173 IonicContact CZ-OD2 3.79Å; R161-D173 IonicContact NH1-OD1 3.55Å; R161-D173 PolarHBondContact NH1-OD1 3.45Å; R161-D173 IonicContact NH1-OD2 2.9Å; R161-D173 PolarHBondContact NH1-OD2 2.87Å; R161-D173 IonicContact NH2-OD1 3.24Å; R161-D173 PolarHBondContact NH2-OD1 3.43Å; R161-D173 IonicContact NH2-OD2 2.81Å
162	L	96.5	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-29.6	-179.4	-63	-174.5	0	0	0	112.7	V73 Y74 L119 F155 S158 L159 K164 Y167	V73-L162 HydrophobicContact CG1-CD1 4.15Å; V73-L162 HydrophobicContact CG1-CD2 3.88Å; Y74-L162 HydrophobicContact CE1-CB 4.12Å; Y74-L162 WeakPolarHBondContact CE1-O 3.45Å; Y74-L162 PolarHBondContact OH-O 3.07Å; L119-L162 HydrophobicContact CD2-CB 4.44Å; F155-L162 HydrophobicContact CB-CD1 4.21Å; F155-L162 HydrophobicContact CD1-CD1 4.14Å; S158-L162 WeakPolarHBondContact O-CG 3.29Å; S158-L162 PolarHBondContact O-N 2.92Å; L159-L162 PolarHBondContact O-N 2.8Å; L159-L162 VanDerWaalsContact O-N 3.11Å; L162-K164 VanDerWaalsContact C-N 3.35Å; L162-Y167 HydrophobicContact CD2-CD1 4.41Å; L162-Y167 HydrophobicContact CD2-CD2 4.36Å; L162-Y167 HydrophobicContact CD2-CE1 3.69Å; L162-Y167 HydrophobicContact CD2-CE2 3.68Å; L162-Y167 VanDerWaalsContact CD2-OH 3.29Å; L162-Y167 WeakPolarHBondContact CD2-OH 3.29Å
163	A	94.9	Very high	96.7	Very high	36 Å²	36	52.7 Å²	52.7	30%	0.298	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4	-179.1	0	0	0	0	0	114.4	L119 Y124 L159 R161	L119-A163 HydrophobicContact CD2-CB 4.09Å; Y124-A163 HydrophobicContact CD1-CB 4.34Å; Y124-A163 HydrophobicContact CD2-CB 3.37Å; Y124-A163 HydrophobicContact CE2-CB 3.85Å; Y124-A163 HydrophobicContact CG-CB 3.64Å; L159-A163 WeakPolarHBondContact O-CB 3.39Å; L159-A163 PolarHBondContact O-N 2.83Å; R161-A163 VanDerWaalsContact C-N 3.32Å
164	K	95.2	Very high	96.7	Very high	122 Å²	122	50.9 Å²	50.9	53%	0.53	26%	0.256	S	S	.	.	S	Bend	trans	-65.2	136.8	174.2	-63.9	-173.3	177.6	-177.3	0	110.5	D160 R161 L162 D166 Y167	D160-K164 WeakPolarHBondContact O-CG 3.3Å; R161-K164 PolarHBondContact O-N 3.5Å; L162-K164 VanDerWaalsContact C-N 3.35Å; K164-D166 WeakPolarHBondContact CB-OD1 3.47Å; K164-D166 PolarHBondContact O-N 3.15Å; K164-Y167 WeakPolarHBondContact O-CB 3.34Å; K164-Y167 PolarHBondContact O-N 2.7Å
165	H	91.2	Very high	96.7	Very high	189 Å²	189	48.4 Å²	48.4	88%	0.875	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.4	-179.9	-179.4	-78.1	0	0	0	112.5	Y167	H165-Y167 VanDerWaalsContact C-N 3.32Å
166	D	93.7	Very high	96.6	Very high	124 Å²	124	50 Å²	50	66%	0.663	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	12.6	177.9	66.8	-30.2	0	0	0	113.5	K164 I168	K164-D166 WeakPolarHBondContact CB-OD1 3.47Å; K164-D166 PolarHBondContact O-N 3.15Å; D166-I168 PolarHBondContact O-N 2.85Å
167	Y	96	Very high	96.6	Very high	11 Å²	11	50.1 Å²	50.1	4%	0.043	25%	0.254	C	S	.	.			trans	-57.2	124.4	178	171.4	-115.3	0	0	0	111.6	K70 V73 Y74 L162 K164 H165 P169 D173	K70-Y167 HydrophobicContact CD-CD1 4.39Å; K70-Y167 HydrophobicContact CG-CD1 4.37Å; K70-Y167 HydrophobicContact CG-CE1 4.38Å; K70-Y167 PolarHBondContact NZ-O 2.99Å; V73-Y167 HydrophobicContact CG1-CE1 4.43Å; Y74-Y167 AromaticContact CE1-CD1 3.96Å; Y74-Y167 HydrophobicContact CE1-CD1 3.96Å; Y74-Y167 AromaticContact CE1-CE1 3.97Å; Y74-Y167 HydrophobicContact CE1-CE1 3.97Å; Y74-Y167 AromaticContact CZ-CD1 3.92Å; Y74-Y167 WeakPolarHBondContact OH-CD1 3.22Å; L162-Y167 HydrophobicContact CD2-CD1 4.41Å; L162-Y167 HydrophobicContact CD2-CD2 4.36Å; L162-Y167 HydrophobicContact CD2-CE1 3.69Å; L162-Y167 HydrophobicContact CD2-CE2 3.68Å; L162-Y167 VanDerWaalsContact CD2-OH 3.29Å; L162-Y167 WeakPolarHBondContact CD2-OH 3.29Å; K164-Y167 WeakPolarHBondContact O-CB 3.34Å; K164-Y167 PolarHBondContact O-N 2.7Å; H165-Y167 VanDerWaalsContact C-N 3.32Å; Y167-P169 HydrophobicContact CE1-CG 4.01Å; Y167-P169 WeakPolarHBondContact OH-CA 3.16Å; Y167-D173 PolarHBondContact OH-OD2 2.75Å
168	I	96.1	Very high	96.4	Very high	54 Å²	54	47.5 Å²	47.5	28%	0.277	24%	0.235	S	C	.	.			trans	-121.4	130.5	169.3	-61.9	162.4	0	0	0	106.9	R63 C66 L67 D166 T170	R63-I168 HydrophobicContact CG-CD1 4.13Å; R63-I168 HydrophobicContact CG-CG2 4.45Å; R63-I168 VanDerWaalsContact NE-CD1 3.32Å; C66-I168 HydrophobicContact CB-CG2 3.88Å; L67-I168 HydrophobicContact CD2-CG1 4.11Å; D166-I168 PolarHBondContact O-N 2.85Å; I168-T170 PolarHBondContact O-N 3.45Å
169	P	97.7	Very high	96.3	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.026	25%	0.253	C	S	.	.			trans	-54.2	134.8	174.7	-29.4	38.1	0	0	0	112.8	C66 K70 V73 Y167 D173 V174	C66-P169 HydrophobicContact CB-CB 4.4Å; C66-P169 VanDerWaalsContact CB-O 3.26Å; C66-P169 WeakPolarHBondContact CB-O 3.46Å; C66-P169 WeakPolarHBondContact O-CD 3.07Å; C66-P169 WeakPolarHBondContact O-CG 3.26Å; C66-P169 PolarHBondContact SG-O 3.2Å; K70-P169 HydrophobicContact CB-CG 3.89Å; V73-P169 HydrophobicContact CG2-CG 4.38Å; Y167-P169 HydrophobicContact CE1-CG 4.01Å; Y167-P169 WeakPolarHBondContact OH-CA 3.16Å; P169-D173 WeakPolarHBondContact CA-OD2 3.46Å; P169-D173 HydrophobicContact CB-CB 3.96Å; P169-V174 HydrophobicContact CB-CG2 4.31Å
170	T	96.9	Very high	96.1	Very high	62 Å²	62	55.4 Å²	55.4	38%	0.38	27%	0.274	S	S	.	.			trans	-80.5	164.2	169.7	61.6	0	0	0	0	110.2	I168 Q172 D173 V174	I168-T170 PolarHBondContact O-N 3.45Å; T170-Q172 PolarHBondContact O-N 2.85Å; T170-Q172 VanDerWaalsContact O-N 3.13Å; T170-Q172 PolarHBondContact OG1-N 3.17Å; T170-D173 PolarHBondContact N-OD2 3.37Å; T170-D173 WeakPolarHBondContact O-CB 3.24Å; T170-D173 PolarHBondContact O-N 3.28Å; T170-D173 VanDerWaalsContact OG1-CG 3.25Å; T170-D173 PolarHBondContact OG1-N 3.17Å; T170-D173 VanDerWaalsContact OG1-N 3.15Å; T170-D173 PolarHBondContact OG1-OD2 2.75Å; T170-V174 WeakPolarHBondContact O-CG2 3.1Å; T170-V174 PolarHBondContact O-N 3.48Å
171	D	96.1	Very high	96	Very high	42 Å²	42	51.8 Å²	51.8	23%	0.225	26%	0.255	C	S	.	.	H	α-helix	trans	-50.9	-37	169.6	-76.2	-12.1	0	0	0	111.4	I55 S60 Y61 V174 L175	I55-D171 HydrophobicContact CD1-CB 3.95Å; S60-D171 VanDerWaalsContact CB-OD2 3.26Å; S60-D171 WeakPolarHBondContact CB-OD2 3.46Å; S60-D171 PolarHBondContact OG-OD2 2.85Å; Y61-D171 WeakPolarHBondContact CD2-OD1 3.15Å; Y61-D171 PolarHBondContact N-OD1 2.89Å; D171-V174 WeakPolarHBondContact O-CB 3.22Å; D171-V174 PolarHBondContact O-N 3.43Å; D171-L175 WeakPolarHBondContact O-CB 3.32Å; D171-L175 VanDerWaalsContact O-CG 3.23Å; D171-L175 WeakPolarHBondContact O-CG 3.35Å; D171-L175 PolarHBondContact O-N 2.87Å
172	Q	96.9	Very high	95.7	Very high	59 Å²	59	52.7 Å²	52.7	28%	0.276	27%	0.269	S	S	.	.	H	α-helix	trans	-68.6	-38.1	177.6	-169.6	63.3	1.7	0	0	113.2	Y154 T170 V174 L175 R176 T326	Y154-Q172 HydrophobicContact CE2-CG 3.92Å; Y154-Q172 WeakPolarHBondContact OH-CG 3.43Å; T170-Q172 PolarHBondContact O-N 2.85Å; T170-Q172 VanDerWaalsContact O-N 3.13Å; T170-Q172 PolarHBondContact OG1-N 3.17Å; Q172-V174 VanDerWaalsContact C-N 3.33Å; Q172-L175 PolarHBondContact O-N 2.83Å; Q172-R176 HydrophobicContact CG-CG 4.44Å; Q172-R176 WeakPolarHBondContact O-CB 3.32Å; Q172-R176 WeakPolarHBondContact O-CG 3.5Å; Q172-R176 PolarHBondContact O-N 2.82Å; Q172-T326 PolarHBondContact OE1-O 2.68Å
173	D	97.9	Very high	95.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-44.2	172.8	-62	-50.1	0	0	0	110.3	V73 Y154 F155 R161 Y167 P169 T170 L175 R176 T177	V73-D173 HydrophobicContact CG2-CB 4.08Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.26Å; Y154-D173 PolarHBondContact OH-OD1 2.85Å; Y154-D173 VanDerWaalsContact OH-OD1 3.07Å; F155-D173 HydrophobicContact CE1-CB 4.4Å; R161-D173 IonicContact CZ-OD1 2.78Å; R161-D173 IonicContact CZ-OD2 3.79Å; R161-D173 IonicContact NH1-OD1 3.55Å; R161-D173 PolarHBondContact NH1-OD1 3.45Å; R161-D173 IonicContact NH1-OD2 2.9Å; R161-D173 PolarHBondContact NH1-OD2 2.87Å; R161-D173 IonicContact NH2-OD1 3.24Å; R161-D173 PolarHBondContact NH2-OD1 3.43Å; R161-D173 IonicContact NH2-OD2 2.81Å; Y167-D173 PolarHBondContact OH-OD2 2.75Å; P169-D173 WeakPolarHBondContact CA-OD2 3.46Å; P169-D173 HydrophobicContact CB-CB 3.96Å; T170-D173 PolarHBondContact N-OD2 3.37Å; T170-D173 WeakPolarHBondContact O-CB 3.24Å; T170-D173 PolarHBondContact O-N 3.28Å; T170-D173 VanDerWaalsContact OG1-CG 3.25Å; T170-D173 PolarHBondContact OG1-N 3.17Å; T170-D173 VanDerWaalsContact OG1-N 3.15Å; T170-D173 PolarHBondContact OG1-OD2 2.75Å; D173-L175 PolarHBondContact O-N 3.03Å; D173-R176 PolarHBondContact O-N 3.31Å; D173-T177 WeakPolarHBondContact O-CG2 3.42Å; D173-T177 PolarHBondContact O-N 3.31Å
174	V	97.4	Very high	95.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-45.1	177.8	175.1	0	0	0	0	110.9	K51 Y61 Y69 P169 T170 D171 Q172 R176 T177	K51-V174 HydrophobicContact CD-CG1 4.4Å; K51-V174 PolarHBondContact NZ-O 3.08Å; Y61-V174 HydrophobicContact CD1-CG1 4.35Å; Y61-V174 HydrophobicContact CD2-CG1 4.08Å; Y61-V174 HydrophobicContact CE1-CG1 4Å; Y61-V174 HydrophobicContact CE2-CG1 3.72Å; Y61-V174 HydrophobicContact CG-CG1 4.39Å; Y69-V174 HydrophobicContact CD1-CG1 4.18Å; Y69-V174 HydrophobicContact CD2-CB 4.33Å; Y69-V174 HydrophobicContact CD2-CG1 3.77Å; Y69-V174 HydrophobicContact CD2-CG2 3.69Å; Y69-V174 HydrophobicContact CE1-CG1 4.02Å; Y69-V174 HydrophobicContact CE2-CG1 3.57Å; Y69-V174 HydrophobicContact CE2-CG2 4.32Å; Y69-V174 HydrophobicContact CG-CB 4.39Å; Y69-V174 HydrophobicContact CG-CG1 4.07Å; Y69-V174 HydrophobicContact CG-CG2 3.87Å; P169-V174 HydrophobicContact CB-CG2 4.31Å; T170-V174 WeakPolarHBondContact O-CG2 3.1Å; T170-V174 PolarHBondContact O-N 3.48Å; D171-V174 WeakPolarHBondContact O-CB 3.22Å; D171-V174 PolarHBondContact O-N 3.43Å; Q172-V174 VanDerWaalsContact C-N 3.33Å; V174-R176 VanDerWaalsContact C-N 3.33Å; V174-R176 PolarHBondContact O-N 2.79Å; V174-T177 PolarHBondContact O-N 3.16Å; V174-T177 PolarHBondContact O-OG1 3.49Å
175	L	97.2	Very high	95.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-36.1	177.3	-71.4	165.9	0	0	0	112.8	T48 K51 Q52 I55 D171 Q172 D173 T326	T48-L175 HydrophobicContact CG2-CB 4.35Å; T48-L175 HydrophobicContact CG2-CD2 4.02Å; K51-L175 HydrophobicContact CB-CD2 3.76Å; Q52-L175 HydrophobicContact CB-CD2 4.05Å; I55-L175 HydrophobicContact CD1-CD1 3.8Å; I55-L175 HydrophobicContact CD1-CD2 4.02Å; I55-L175 HydrophobicContact CD1-CG 3.95Å; D171-L175 WeakPolarHBondContact O-CB 3.32Å; D171-L175 VanDerWaalsContact O-CG 3.23Å; D171-L175 WeakPolarHBondContact O-CG 3.35Å; D171-L175 PolarHBondContact O-N 2.87Å; Q172-L175 PolarHBondContact O-N 2.83Å; D173-L175 PolarHBondContact O-N 3.03Å; L175-T326 HydrophobicContact CB-CG2 4.29Å
176	R	97.7	Very high	95.5	Very high	37 Å²	37	49.6 Å²	49.6	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-83.3	-13.1	-178.1	-67.4	-75.2	177.9	175.5	-1.7	113.6	S151 Y154 F155 Q172 D173 V174 D272 T326	S151-R176 VanDerWaalsContact CB-O 3.26Å; S151-R176 WeakPolarHBondContact CB-O 3.43Å; S151-R176 PolarHBondContact OG-O 3.47Å; Y154-R176 HydrophobicContact CD1-CB 3.95Å; Y154-R176 HydrophobicContact CD1-CG 3.93Å; Y154-R176 HydrophobicContact CE1-CB 4.09Å; Y154-R176 HydrophobicContact CE1-CG 4.03Å; Y154-R176 HydrophobicContact CG-CG 4.23Å; F155-R176 HydrophobicContact CE1-CB 4.5Å; F155-R176 HydrophobicContact CE2-CB 4.27Å; F155-R176 HydrophobicContact CZ-CB 3.82Å; Q172-R176 HydrophobicContact CG-CG 4.44Å; Q172-R176 WeakPolarHBondContact O-CB 3.32Å; Q172-R176 WeakPolarHBondContact O-CG 3.5Å; Q172-R176 PolarHBondContact O-N 2.82Å; D173-R176 PolarHBondContact O-N 3.31Å; V174-R176 VanDerWaalsContact C-N 3.33Å; V174-R176 PolarHBondContact O-N 2.79Å; R176-D272 IonicContact NH1-OD2 3.26Å; R176-D272 IonicContact NH2-OD2 3.68Å; R176-D272 PolarHBondContact NH2-OD2 2.92Å; R176-T326 PolarHBondContact NH2-OG1 3.02Å
177	T	97.4	Very high	95.4	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.037	24%	0.237	C	C	.	.			trans	-66.4	142.5	173.7	62.1	0	0	0	0	112.8	K51 Y69 V72 V73 N76 F155 D173 V174	K51-T177 PolarHBondContact NZ-O 2.86Å; K51-T177 PolarHBondContact NZ-OG1 3.12Å; Y69-T177 HydrophobicContact CD1-CG2 4.21Å; V72-T177 HydrophobicContact CB-CG2 4.31Å; V72-T177 HydrophobicContact CG1-CG2 4.06Å; V73-T177 HydrophobicContact CB-CG2 4.49Å; V73-T177 HydrophobicContact CG2-CG2 3.49Å; V73-T177 VanDerWaalsContact CG2-CG2 3.49Å; N76-T177 WeakPolarHBondContact OD1-CA 3.42Å; F155-T177 HydrophobicContact CZ-CG2 4.37Å; D173-T177 WeakPolarHBondContact O-CG2 3.42Å; D173-T177 PolarHBondContact O-N 3.31Å; V174-T177 PolarHBondContact O-N 3.16Å; V174-T177 PolarHBondContact O-OG1 3.49Å
178	R	95.6	Very high	95.2	Very high	63 Å²	63	50.2 Å²	50.2	24%	0.238	26%	0.259	C	S	.	.			trans	-116.4	114.1	179.3	179.2	65.9	177.7	74.9	16.7	110	E43 N76	E43-R178 IonicContact OE1-CZ 3.3Å; E43-R178 VanDerWaalsContact OE1-CZ 3.27Å; E43-R178 IonicContact OE1-NE 3.1Å; E43-R178 PolarHBondContact OE1-NE 3.26Å; E43-R178 IonicContact OE1-NH2 3.46Å; E43-R178 PolarHBondContact OE1-NH2 2.98Å; N76-R178 PolarHBondContact ND2-O 3.06Å; N76-R178 VanDerWaalsContact ND2-O 3.08Å; N76-R178 PolarHBondContact OD1-N 3.19Å; N76-R178 PolarHBondContact OD1-O 2.51Å
179	V	94.8	Very high	95	Very high	84 Å²	84	48.2 Å²	48.2	51%	0.509	25%	0.248	S	C	.	.			trans	-122.4	134.9	167.5	-178.1	0	0	0	0	107.8	V72 T181	V72-V179 HydrophobicContact CG1-CG2 3.56Å; V72-V179 HydrophobicContact CG2-CG2 4.31Å; V179-T181 PolarHBondContact O-N 3.03Å; V179-T181 VanDerWaalsContact O-N 3.13Å
180	K	94.5	Very high	94.7	Very high	102 Å²	102	51 Å²	51	44%	0.443	27%	0.268	S	S	.	.			trans	-67.6	110.9	175.6	177.1	170.4	175.7	-178.7	0	108.8	T182 Q204	K180-T182 HydrophobicContact CG-CG2 4.47Å; K180-T182 PolarHBondContact O-N 3.41Å; K180-Q204 HydrophobicContact CD-CG 4.4Å
181	T	93.9	Very high	94.3	Very high	18 Å²	18	50.1 Å²	50.1	11%	0.11	26%	0.258	C	S	.	.			trans	-64.1	120	173.5	-45	0	0	0	0	109.2	S47 V179 G202	S47-T181 PolarHBondContact OG-OG1 2.72Å; V179-T181 PolarHBondContact O-N 3.03Å; V179-T181 VanDerWaalsContact O-N 3.13Å; T181-G202 WeakPolarHBondContact O-CA 3.43Å
182	T	93	Very high	93.9	Very high	90 Å²	90	52.5 Å²	52.5	55%	0.552	27%	0.266	S	S	*	.			trans	-113.8	142.2	173.9	55.3	0	0	0	0	108.9	K180 E207	K180-T182 HydrophobicContact CG-CG2 4.47Å; K180-T182 PolarHBondContact O-N 3.41Å; T182-E207 WeakPolarHBondContact CA-OE2 3.39Å
183	G	92.9	Very high	93.3	Very high	20 Å²	20	59 Å²	59	21%	0.206	29%	0.294	C	S	.	.	S	Bend	trans	69.2	-146.1	-179.5	0	0	0	0	0	113.6	G202 E207	G183-G202 PolarHBondContact O-N 3.1Å; G183-E207 PolarHBondContact N-OE2 3.12Å
184	I	93.7	Very high	92.9	Very high	75 Å²	75	59.6 Å²	59.6	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.8	-173.7	-60	158.5	0	0	0	107.4	V199 V201 H213 C214	I184-V199 HydrophobicContact CG2-CG1 3.62Å; I184-V201 HydrophobicContact CB-CG1 4.4Å; I184-V201 HydrophobicContact CG1-CG1 3.94Å; I184-V201 HydrophobicContact CG2-CG1 4.24Å; I184-H213 HydrophobicContact CD1-CB 4.05Å; I184-C214 WeakPolarHBondContact CD1-SG 3.19Å; I184-C214 VanDerWaalsContact CG2-SG 3.58Å
185	Q	92.6	Very high	92.7	Very high	95 Å²	95	63.9 Å²	63.9	44%	0.444	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.8	173.6	-62.8	-173.2	10.5	0	0	109.1	V199 D200	Q185-V199 CarbonylContact O-C 3.56Å; Q185-V199 WeakPolarHBondContact O-CA 3.46Å; Q185-D200 PolarHBondContact N-O 3.22Å; Q185-D200 PolarHBondContact O-N 3.08Å
186	E	92.9	Very high	92.5	Very high	92 Å²	92	63.8 Å²	63.8	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.8	179	-171.7	177	133.8	0	0	109.8	Q188 R197 L198 V199	E186-Q188 PolarHBondContact OE1-NE2 3.48Å; E186-R197 HydrophobicContact CG-CG 3.63Å; E186-R197 WeakPolarHBondContact OE1-CD 3.47Å; E186-R197 WeakPolarHBondContact OE1-CG 3.46Å; E186-R197 IonicContact OE1-CZ 3.87Å; E186-R197 IonicContact OE1-NE 3.64Å; E186-R197 PolarHBondContact OE1-NE 3.11Å; E186-L198 CarbonylContact C-O 3.6Å; E186-L198 VanDerWaalsContact CA-O 3.31Å; E186-L198 WeakPolarHBondContact CA-O 3.29Å; E186-V199 HydrophobicContact CG-CG2 4.32Å
187	T	92	Very high	92.4	Very high	37 Å²	37	66 Å²	66	23%	0.227	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.7	173	-56.3	0	0	0	0	109.2	L198	T187-L198 PolarHBondContact N-O 2.75Å; T187-L198 PolarHBondContact O-N 2.97Å
188	Q	92.8	Very high	92.3	Very high	111 Å²	111	65.7 Å²	65.7	52%	0.519	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.7	-177.2	-63.4	178.6	4	0	0	110.6	Q58 E186 F196 R197	Q58-Q188 PolarHBondContact NE2-O 3.04Å; E186-Q188 PolarHBondContact OE1-NE2 3.48Å; Q188-F196 VanDerWaalsContact CA-O 3.24Å; Q188-F196 WeakPolarHBondContact CA-O 3.28Å; Q188-R197 HydrophobicContact CG-CB 4.49Å; Q188-R197 HydrophobicContact CG-CG 4.37Å
189	F	91.9	Very high	92.3	Very high	11 Å²	11	62.8 Å²	62.8	5%	0.048	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153.3	176.3	60.4	-87.4	0	0	0	111	L53 H57 Q58 F196 L198 F335	L53-F189 HydrophobicContact CB-CE1 4.43Å; L53-F189 HydrophobicContact CB-CZ 4.42Å; L53-F189 HydrophobicContact CD1-CZ 4.25Å; H57-F189 HydrophobicContact CB-CB 4.38Å; H57-F189 HydrophobicContact CB-CD2 3.81Å; H57-F189 HydrophobicContact CB-CE2 4.4Å; H57-F189 HydrophobicContact CB-CG 4.24Å; H57-F189 AromaticContact CD2-CD2 3.79Å; H57-F189 AromaticContact CD2-CE2 3.46Å; H57-F189 VanDerWaalsContact CD2-CE2 3.46Å; H57-F189 WeakPolarHBondContact CD2-CE2 3.22Å; H57-F189 AromaticContact CG-CD2 3.86Å; Q58-F189 HydrophobicContact CG-CB 4.06Å; F189-F196 HydrophobicContact CD1-CB 4.36Å; F189-F196 HydrophobicContact CD2-CB 4.2Å; F189-F196 HydrophobicContact CD2-CD2 4.43Å; F189-F196 HydrophobicContact CE1-CB 4.02Å; F189-F196 HydrophobicContact CE2-CB 3.85Å; F189-F196 AromaticContact CE2-CD2 3.97Å; F189-F196 HydrophobicContact CE2-CD2 3.97Å; F189-F196 HydrophobicContact CE2-CG 4.09Å; F189-F196 HydrophobicContact CG-CB 4.45Å; F189-F196 HydrophobicContact CZ-CB 3.76Å; F189-F196 HydrophobicContact CZ-CG 4.21Å; F189-F196 PolarHBondContact N-O 3.24Å; F189-F196 PolarHBondContact O-N 2.95Å; F189-L198 HydrophobicContact CE1-CB 4.43Å; F189-L198 HydrophobicContact CE1-CD1 4.01Å; F189-L198 HydrophobicContact CZ-CD1 4.18Å; F189-F335 AromaticContact CE2-CE1 3.63Å; F189-F335 HydrophobicContact CE2-CE1 3.63Å; F189-F335 AromaticContact CE2-CZ 3.61Å; F189-F335 HydrophobicContact CE2-CZ 3.61Å; F189-F335 AromaticContact CZ-CE1 3.91Å; F189-F335 HydrophobicContact CZ-CE1 3.91Å; F189-F335 HydrophobicContact CZ-CE2 4.07Å; F189-F335 AromaticContact CZ-CZ 3.41Å; F189-F335 HydrophobicContact CZ-CZ 3.41Å; F189-F335 VanDerWaalsContact CZ-CZ 3.41Å
190	S	90.3	Very high	92.4	Very high	63 Å²	63	58.8 Å²	58.8	44%	0.441	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.6	176.6	-161.2	0	0	0	0	110.2	I194 E195	S190-I194 WeakPolarHBondContact CA-O 3.45Å; S190-E195 WeakPolarHBondContact CB-OE1 3.37Å; S190-E195 PolarHBondContact OG-OE1 3.43Å
191	Y	90	Very high	92.5	Very high	43 Å²	43	54 Å²	54	17%	0.169	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.9	175.1	-174.1	-119	0	0	0	111.2	H57 K193 I194 F196 F335 D336 T339	H57-Y191 AromaticContact CE1-CD2 3.22Å; H57-Y191 WeakPolarHBondContact CE1-CD2 3.41Å; H57-Y191 AromaticContact CE1-CE2 3.41Å; H57-Y191 VanDerWaalsContact CE1-CE2 3.41Å; H57-Y191 WeakPolarHBondContact CE1-CE2 2.97Å; H57-Y191 AromaticContact CE1-CG 3.54Å; H57-Y191 AromaticContact CE1-CZ 3.86Å; H57-Y191 AromaticContact ND1-CD2 3.37Å; H57-Y191 WeakPolarHBondContact ND1-CD2 3.49Å; H57-Y191 AromaticContact ND1-CE2 3.82Å; H57-Y191 AromaticContact ND1-CG 3.91Å; Y191-K193 PolarHBondContact O-N 3.33Å; Y191-K193 VanDerWaalsContact O-N 3.08Å; Y191-I194 PolarHBondContact N-O 2.68Å; Y191-I194 WeakPolarHBondContact O-CB 3.37Å; Y191-I194 PolarHBondContact O-N 3.19Å; Y191-F196 HydrophobicContact CD1-CE2 4.4Å; Y191-F335 AromaticContact CD1-CD1 3.95Å; Y191-F335 HydrophobicContact CD1-CD1 3.95Å; Y191-F335 AromaticContact CD1-CE1 3.78Å; Y191-F335 HydrophobicContact CD1-CE1 3.78Å; Y191-F335 HydrophobicContact CE1-CD1 4.18Å; Y191-F335 HydrophobicContact CE1-CE1 4.45Å; Y191-F335 HydrophobicContact CG-CE1 4.34Å; Y191-D336 VanDerWaalsContact CE1-OD1 3.32Å; Y191-D336 WeakPolarHBondContact CE1-OD1 3.41Å; Y191-D336 VanDerWaalsContact CZ-OD1 3.29Å; Y191-D336 VanDerWaalsContact OH-CG 3.26Å; Y191-D336 PolarHBondContact OH-OD1 2.86Å; Y191-D336 PolarHBondContact OH-OD2 3.1Å; Y191-T339 HydrophobicContact CD1-CG2 4.15Å; Y191-T339 HydrophobicContact CE1-CG2 4.42Å
192	K	86.7	Confident	92.6	Very high	92 Å²	92	53.2 Å²	53.2	40%	0.4	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	37.3	-175.7	-71.9	175.7	165.2	172.1	0	113.5	I194 D336 T339 D340	K192-I194 PolarHBondContact O-N 2.76Å; K192-D336 VanDerWaalsContact CE-OD1 3.23Å; K192-D336 WeakPolarHBondContact CE-OD1 3.46Å; K192-D336 IonicContact NZ-OD1 2.7Å; K192-D336 PolarHBondContact NZ-OD1 2.9Å; K192-T339 HydrophobicContact CB-CG2 4.12Å; K192-T339 HydrophobicContact CD-CG2 3.65Å; K192-T339 HydrophobicContact CG-CG2 4.41Å; K192-D340 IonicContact NZ-OD1 3Å; K192-D340 PolarHBondContact NZ-OD1 2.9Å
193	K	84.3	Confident	92.7	Very high	195 Å²	195	49 Å²	49	85%	0.848	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	15.1	-177	-49.5	175	179.5	175.4	0	115.2	Y191	Y191-K193 PolarHBondContact O-N 3.33Å; Y191-K193 VanDerWaalsContact O-N 3.08Å
194	I	89.9	Confident	92.8	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.6	171	-64.9	173.9	0	0	0	108.1	R32 A34 S190 Y191 K192 F196 T339 I342 I343	R32-I194 WeakPolarHBondContact O-CG2 3.27Å; A34-I194 HydrophobicContact CB-CG2 3.71Å; S190-I194 WeakPolarHBondContact CA-O 3.45Å; Y191-I194 PolarHBondContact N-O 2.68Å; Y191-I194 WeakPolarHBondContact O-CB 3.37Å; Y191-I194 PolarHBondContact O-N 3.19Å; K192-I194 PolarHBondContact O-N 2.76Å; I194-F196 HydrophobicContact CB-CD2 4.3Å; I194-F196 HydrophobicContact CB-CE2 3.74Å; I194-F196 HydrophobicContact CB-CZ 4.15Å; I194-F196 HydrophobicContact CG2-CD1 4.47Å; I194-F196 HydrophobicContact CG2-CD2 4.01Å; I194-F196 HydrophobicContact CG2-CE1 4.18Å; I194-F196 HydrophobicContact CG2-CE2 3.67Å; I194-F196 HydrophobicContact CG2-CG 4.41Å; I194-F196 HydrophobicContact CG2-CZ 3.78Å; I194-T339 HydrophobicContact CD1-CG2 4.36Å; I194-I342 HydrophobicContact CD1-CG2 4.5Å; I194-I343 HydrophobicContact CD1-CD1 4.08Å; I194-I343 HydrophobicContact CD1-CG1 3.38Å
195	E	92.1	Very high	92.8	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.3	172.3	-65.7	-56	138.9	0	0	109	R32 I33 A34 S190	R32-E195 PolarHBondContact O-N 3.06Å; I33-E195 CarbonylContact C-O 3.52Å; I33-E195 VanDerWaalsContact CA-O 3.26Å; I33-E195 WeakPolarHBondContact CA-O 3.46Å; I33-E195 HydrophobicContact CG1-CB 3.89Å; A34-E195 PolarHBondContact N-O 2.95Å; S190-E195 WeakPolarHBondContact CB-OE1 3.37Å; S190-E195 PolarHBondContact OG-OE1 3.43Å
196	F	94.2	Very high	92.9	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.9	178	-73.5	-83.2	0	0	0	110.9	A34 L36 Q188 F189 Y191 I194 F335 T339	A34-F196 HydrophobicContact CB-CD1 3.67Å; A34-F196 HydrophobicContact CB-CE1 3.67Å; A34-F196 WeakPolarHBondContact O-CA 3.4Å; L36-F196 HydrophobicContact CD1-CD1 3.47Å; L36-F196 VanDerWaalsContact CD1-CD1 3.47Å; L36-F196 HydrophobicContact CD1-CE1 3.78Å; L36-F196 HydrophobicContact CG-CD1 3.93Å; L36-F196 HydrophobicContact CG-CE1 4.35Å; Q188-F196 VanDerWaalsContact CA-O 3.24Å; Q188-F196 WeakPolarHBondContact CA-O 3.28Å; F189-F196 HydrophobicContact CD1-CB 4.36Å; F189-F196 HydrophobicContact CD2-CB 4.2Å; F189-F196 HydrophobicContact CD2-CD2 4.43Å; F189-F196 HydrophobicContact CE1-CB 4.02Å; F189-F196 HydrophobicContact CE2-CB 3.85Å; F189-F196 AromaticContact CE2-CD2 3.97Å; F189-F196 HydrophobicContact CE2-CD2 3.97Å; F189-F196 HydrophobicContact CE2-CG 4.09Å; F189-F196 HydrophobicContact CG-CB 4.45Å; F189-F196 HydrophobicContact CZ-CB 3.76Å; F189-F196 HydrophobicContact CZ-CG 4.21Å; F189-F196 PolarHBondContact N-O 3.24Å; F189-F196 PolarHBondContact O-N 2.95Å; Y191-F196 HydrophobicContact CD1-CE2 4.4Å; I194-F196 HydrophobicContact CB-CD2 4.3Å; I194-F196 HydrophobicContact CB-CE2 3.74Å; I194-F196 HydrophobicContact CB-CZ 4.15Å; I194-F196 HydrophobicContact CG2-CD1 4.47Å; I194-F196 HydrophobicContact CG2-CD2 4.01Å; I194-F196 HydrophobicContact CG2-CE1 4.18Å; I194-F196 HydrophobicContact CG2-CE2 3.67Å; I194-F196 HydrophobicContact CG2-CG 4.41Å; I194-F196 HydrophobicContact CG2-CZ 3.78Å; F196-F335 HydrophobicContact CD1-CZ 4.03Å; F196-F335 HydrophobicContact CD2-CE1 4.37Å; F196-F335 HydrophobicContact CD2-CZ 4.21Å; F196-F335 HydrophobicContact CE1-CZ 4.09Å; F196-F335 HydrophobicContact CE2-CE1 4.21Å; F196-F335 HydrophobicContact CE2-CZ 4.27Å; F196-F335 HydrophobicContact CG-CZ 4.07Å; F196-F335 HydrophobicContact CZ-CE1 4.37Å; F196-F335 HydrophobicContact CZ-CZ 4.2Å; F196-T339 HydrophobicContact CE2-CG2 4.29Å; F196-T339 HydrophobicContact CZ-CG2 3.93Å
197	R	94.6	Very high	93	Very high	82 Å²	82	45.1 Å²	45.1	31%	0.309	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	102.3	167.5	-179.8	-177.9	-65.4	-177.1	6.9	108.6	A34 K35 L36 E186 Q188 V199	A34-R197 PolarHBondContact O-N 2.78Å; K35-R197 CarbonylContact C-O 3.55Å; K35-R197 WeakPolarHBondContact CA-O 3.47Å; L36-R197 PolarHBondContact N-O 3.49Å; E186-R197 HydrophobicContact CG-CG 3.63Å; E186-R197 WeakPolarHBondContact OE1-CD 3.47Å; E186-R197 WeakPolarHBondContact OE1-CG 3.46Å; E186-R197 IonicContact OE1-CZ 3.87Å; E186-R197 IonicContact OE1-NE 3.64Å; E186-R197 PolarHBondContact OE1-NE 3.11Å; Q188-R197 HydrophobicContact CG-CB 4.49Å; Q188-R197 HydrophobicContact CG-CG 4.37Å; R197-V199 HydrophobicContact CG-CG2 4.3Å
198	L	95.3	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.3	176	-120.8	78	0	0	0	110.2	L36 L38 L50 L53 E186 T187 F189 F335	L36-L198 HydrophobicContact CB-CD1 3.6Å; L36-L198 HydrophobicContact CB-CG 4.28Å; L36-L198 HydrophobicContact CD1-CD1 3.48Å; L36-L198 VanDerWaalsContact CD1-CD1 3.48Å; L36-L198 HydrophobicContact CG-CD1 3.97Å; L36-L198 WeakPolarHBondContact O-CA 3.47Å; L38-L198 HydrophobicContact CD1-CD2 3.75Å; L38-L198 HydrophobicContact CD1-CG 4.27Å; L38-L198 HydrophobicContact CG-CD2 4.42Å; L50-L198 HydrophobicContact CD1-CB 3.78Å; L50-L198 HydrophobicContact CD1-CD2 3.55Å; L50-L198 HydrophobicContact CD1-CG 4.26Å; L53-L198 HydrophobicContact CD1-CD1 4.31Å; L53-L198 HydrophobicContact CD1-CD2 3.33Å; L53-L198 HydrophobicContact CD1-CG 4.49Å; E186-L198 CarbonylContact C-O 3.6Å; E186-L198 VanDerWaalsContact CA-O 3.31Å; E186-L198 WeakPolarHBondContact CA-O 3.29Å; T187-L198 PolarHBondContact N-O 2.75Å; T187-L198 PolarHBondContact O-N 2.97Å; F189-L198 HydrophobicContact CE1-CB 4.43Å; F189-L198 HydrophobicContact CE1-CD1 4.01Å; F189-L198 HydrophobicContact CZ-CD1 4.18Å; L198-F335 HydrophobicContact CD1-CE2 4.46Å
199	V	96.6	Very high	93.2	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	111.8	177.6	-176.2	0	0	0	0	108.9	K35 L36 L37 L38 I184 Q185 E186 R197 V201 C214	K35-V199 HydrophobicContact CG-CG2 4.38Å; L36-V199 PolarHBondContact O-N 2.96Å; L37-V199 HydrophobicContact CD1-CB 3.79Å; L37-V199 HydrophobicContact CD1-CG1 3.73Å; L38-V199 PolarHBondContact N-O 2.73Å; I184-V199 HydrophobicContact CG2-CG1 3.62Å; Q185-V199 CarbonylContact O-C 3.56Å; Q185-V199 WeakPolarHBondContact O-CA 3.46Å; E186-V199 HydrophobicContact CG-CG2 4.32Å; R197-V199 HydrophobicContact CG-CG2 4.3Å; V199-V201 HydrophobicContact CG1-CG1 4.23Å; V199-C214 HydrophobicContact CG1-CB 4.11Å
200	D	96.5	Very high	93.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.7	173.2	-175.6	35	0	0	0	110.4	L38 K46 S47 L50 Q185	L38-D200 HydrophobicContact CD1-CB 4.19Å; K46-D200 VanDerWaalsContact CB-OD1 3.25Å; K46-D200 WeakPolarHBondContact CB-OD1 3.49Å; S47-D200 WeakPolarHBondContact CA-OD2 3.39Å; S47-D200 WeakPolarHBondContact CB-OD2 3.36Å; S47-D200 PolarHBondContact OG-OD2 3.19Å; L50-D200 HydrophobicContact CD2-CB 3.97Å; Q185-D200 PolarHBondContact N-O 3.22Å; Q185-D200 PolarHBondContact O-N 3.08Å
201	V	96.5	Very high	93.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.9	-177.3	-63.6	0	0	0	0	110.9	L38 L39 K46 I184 V199 G203 W211	L38-V201 WeakPolarHBondContact O-CG2 3.39Å; L39-V201 HydrophobicContact CD2-CG2 3.65Å; K46-V201 WeakPolarHBondContact CE-O 3.29Å; I184-V201 HydrophobicContact CB-CG1 4.4Å; I184-V201 HydrophobicContact CG1-CG1 3.94Å; I184-V201 HydrophobicContact CG2-CG1 4.24Å; V199-V201 HydrophobicContact CG1-CG1 4.23Å; V201-G203 PolarHBondContact O-N 3.07Å; V201-W211 HydrophobicContact CG2-CD2 4.31Å; V201-W211 HydrophobicContact CG2-CG 4.14Å; V201-W211 HydrophobicContact CG2-CZ2 4.42Å; V201-W211 VanDerWaalsContact CG2-NE1 3.29Å
202	G	95.6	Very high	93.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.01	23%	0.233	C	C	.	.			trans	-55.8	128.7	174.3	0	0	0	0	0	112.2	T181 G183 E207 W211	T181-G202 WeakPolarHBondContact O-CA 3.43Å; G183-G202 PolarHBondContact O-N 3.1Å; G202-E207 WeakPolarHBondContact O-CB 3.44Å; G202-W211 PolarHBondContact O-NE1 2.96Å
203	G	94.5	Very high	94	Very high	3 Å²	3	53.9 Å²	53.9	3%	0.031	25%	0.246	C	C	.	.			trans	-88.9	-18.3	-176.2	0	0	0	0	0	115.4	G40 G42 V201 R208	G40-G203 WeakPolarHBondContact O-CA 3.25Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 2.98Å; V201-G203 PolarHBondContact O-N 3.07Å; G203-R208 PolarHBondContact O-NE 3.2Å; G203-R208 VanDerWaalsContact O-NE 3.17Å
204	Q	94.9	Very high	94.5	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.079	21%	0.207	C	C	.	.	S	Bend	trans	-65.4	152.2	-179	-65.3	82.8	9.2	0	0	110.8	K180 S206 E207 R208 E236	K180-Q204 HydrophobicContact CD-CG 4.4Å; Q204-S206 PolarHBondContact O-N 3.37Å; Q204-S206 VanDerWaalsContact O-N 3.07Å; Q204-E207 PolarHBondContact O-N 2.83Å; Q204-R208 WeakPolarHBondContact O-CG 3.22Å; Q204-R208 PolarHBondContact O-N 2.78Å; Q204-E236 WeakPolarHBondContact CA-OE1 3.38Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.42Å
205	R	94.9	Very high	94.7	Very high	94 Å²	94	44.9 Å²	44.9	36%	0.355	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.9	-176.7	-74.2	-178.1	170.9	173.1	-2	112.9	E207 E236 D237 E245	R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 3.45Å; R205-E236 PolarHBondContact N-OE1 3.43Å; R205-D237 IonicContact NH1-OD2 2.68Å; R205-E245 IonicContact CZ-OE1 3.99Å; R205-E245 IonicContact CZ-OE2 3.7Å; R205-E245 IonicContact NE-OE1 2.64Å; R205-E245 PolarHBondContact NE-OE1 3.42Å; R205-E245 IonicContact NE-OE2 3.5Å; R205-E245 IonicContact NH2-OE1 3.86Å; R205-E245 IonicContact NH2-OE2 3.88Å; R205-E245 PolarHBondContact NH2-OE2 3.23Å
206	S	94.3	Very high	94.6	Very high	72 Å²	72	46.8 Å²	46.8	50%	0.503	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.5	177.5	66.9	0	0	0	0	114.3	Q204	Q204-S206 PolarHBondContact O-N 3.37Å; Q204-S206 VanDerWaalsContact O-N 3.07Å
207	E	95.8	Very high	94.4	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.079	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-21	-174.4	-61	-56.4	103.1	0	0	112.6	T182 G183 G202 Q204 R205 K209 K210	T182-E207 WeakPolarHBondContact CA-OE2 3.39Å; G183-E207 PolarHBondContact N-OE2 3.12Å; G202-E207 WeakPolarHBondContact O-CB 3.44Å; Q204-E207 PolarHBondContact O-N 2.83Å; R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 3.45Å; E207-K209 VanDerWaalsContact C-N 3.25Å; E207-K209 PolarHBondContact O-N 3.35Å; E207-K209 VanDerWaalsContact O-N 3.15Å; E207-K210 VanDerWaalsContact O-CB 3.3Å; E207-K210 WeakPolarHBondContact O-CB 3.21Å; E207-K210 PolarHBondContact O-N 3.14Å; E207-K210 IonicContact OE1-NZ 3.62Å; E207-K210 PolarHBondContact OE1-NZ 2.85Å; E207-K210 IonicContact OE2-NZ 3.37Å; E207-K210 PolarHBondContact OE2-NZ 3.33Å
208	R	95.1	Very high	94.4	Very high	49 Å²	49	50.1 Å²	50.1	19%	0.185	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-63	-26.9	-171.1	-57.6	-167.2	-168.8	155.5	6	114.7	G203 Q204 K210 W211 E245	G203-R208 PolarHBondContact O-NE 3.2Å; G203-R208 VanDerWaalsContact O-NE 3.17Å; Q204-R208 WeakPolarHBondContact O-CG 3.22Å; Q204-R208 PolarHBondContact O-N 2.78Å; R208-K210 PolarHBondContact O-N 2.86Å; R208-K210 VanDerWaalsContact O-N 3.17Å; R208-W211 HydrophobicContact CB-CD2 4.21Å; R208-W211 HydrophobicContact CB-CZ2 4.47Å; R208-W211 HydrophobicContact CG-CD2 4.4Å; R208-W211 HydrophobicContact CG-CH2 4.18Å; R208-W211 HydrophobicContact CG-CZ2 3.78Å; R208-W211 VanDerWaalsContact O-CB 3.3Å; R208-W211 WeakPolarHBondContact O-CB 3.34Å; R208-W211 VanDerWaalsContact O-CG 3.29Å; R208-W211 PolarHBondContact O-N 2.74Å; R208-W211 VanDerWaalsContact O-N 3.1Å; R208-E245 IonicContact CZ-OE1 3.65Å; R208-E245 IonicContact NH1-OE1 2.95Å; R208-E245 PolarHBondContact NH1-OE1 2.66Å; R208-E245 IonicContact NH2-OE1 2.75Å; R208-E245 PolarHBondContact NH2-OE1 3.27Å
209	K	93.5	Very high	94.3	Very high	183 Å²	183	51 Å²	51	80%	0.796	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-60.1	-25.6	174.4	-65	-174.7	178.8	179	0	112.3	E207 W211 I212	E207-K209 VanDerWaalsContact C-N 3.25Å; E207-K209 PolarHBondContact O-N 3.35Å; E207-K209 VanDerWaalsContact O-N 3.15Å; K209-W211 VanDerWaalsContact C-N 3.32Å; K209-I212 WeakPolarHBondContact O-CG2 3.46Å
210	K	94.6	Very high	94.2	Very high	76 Å²	76	50.8 Å²	50.8	33%	0.33	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-79.2	-15.6	-179.5	-55.5	174.8	-173.8	168.4	0	112.7	E207 R208 I212 H213	E207-K210 VanDerWaalsContact O-CB 3.3Å; E207-K210 WeakPolarHBondContact O-CB 3.21Å; E207-K210 PolarHBondContact O-N 3.14Å; E207-K210 IonicContact OE1-NZ 3.62Å; E207-K210 PolarHBondContact OE1-NZ 2.85Å; E207-K210 IonicContact OE2-NZ 3.37Å; E207-K210 PolarHBondContact OE2-NZ 3.33Å; R208-K210 PolarHBondContact O-N 2.86Å; R208-K210 VanDerWaalsContact O-N 3.17Å; K210-I212 VanDerWaalsContact C-N 3.28Å; K210-I212 PolarHBondContact O-N 3.47Å; K210-H213 WeakPolarHBondContact O-CB 3.44Å; K210-H213 PolarHBondContact O-CD2 3.47Å; K210-H213 PolarHBondContact O-N 3.43Å
211	W	95.6	Very high	94.2	Very high	10 Å²	10	50.8 Å²	50.8	4%	0.038	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62.5	-35	-173.8	-67.8	4	0	0	0	113.3	L39 V201 G202 R208 K209 H213 C214 F215 L249 I253	L39-W211 HydrophobicContact CB-CH2 4.49Å; L39-W211 HydrophobicContact CB-CZ3 4.4Å; L39-W211 HydrophobicContact CD2-CD2 3.79Å; L39-W211 HydrophobicContact CD2-CE3 3.75Å; L39-W211 HydrophobicContact CD2-CG 4.27Å; L39-W211 HydrophobicContact CD2-CH2 4.32Å; L39-W211 HydrophobicContact CD2-CZ2 4.38Å; L39-W211 HydrophobicContact CD2-CZ3 4.01Å; V201-W211 HydrophobicContact CG2-CD2 4.31Å; V201-W211 HydrophobicContact CG2-CG 4.14Å; V201-W211 HydrophobicContact CG2-CZ2 4.42Å; V201-W211 VanDerWaalsContact CG2-NE1 3.29Å; G202-W211 PolarHBondContact O-NE1 2.96Å; R208-W211 HydrophobicContact CB-CD2 4.21Å; R208-W211 HydrophobicContact CB-CZ2 4.47Å; R208-W211 HydrophobicContact CG-CD2 4.4Å; R208-W211 HydrophobicContact CG-CH2 4.18Å; R208-W211 HydrophobicContact CG-CZ2 3.78Å; R208-W211 VanDerWaalsContact O-CB 3.3Å; R208-W211 WeakPolarHBondContact O-CB 3.34Å; R208-W211 VanDerWaalsContact O-CG 3.29Å; R208-W211 PolarHBondContact O-N 2.74Å; R208-W211 VanDerWaalsContact O-N 3.1Å; K209-W211 VanDerWaalsContact C-N 3.32Å; W211-H213 PolarHBondContact O-N 3.41Å; W211-H213 VanDerWaalsContact O-N 3.07Å; W211-C214 WeakPolarHBondContact O-CB 3.3Å; W211-C214 PolarHBondContact O-N 2.94Å; W211-F215 HydrophobicContact CB-CE1 3.82Å; W211-F215 HydrophobicContact CB-CZ 4.18Å; W211-F215 WeakPolarHBondContact O-CD1 3.24Å; W211-F215 WeakPolarHBondContact O-CE1 3Å; W211-L249 HydrophobicContact CH2-CD1 3.79Å; W211-L249 HydrophobicContact CH2-CD2 3.71Å; W211-L249 HydrophobicContact CH2-CG 4.15Å; W211-L249 HydrophobicContact CZ3-CD1 3.62Å; W211-L249 HydrophobicContact CZ3-CD2 4.31Å; W211-L249 HydrophobicContact CZ3-CG 4.26Å; W211-I253 HydrophobicContact CE3-CD1 4.07Å; W211-I253 HydrophobicContact CZ3-CD1 4Å; W211-I253 HydrophobicContact CZ3-CG1 4.21Å
212	I	92.4	Very high	94.3	Very high	80 Å²	80	50.8 Å²	50.8	41%	0.41	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-55.9	-28.1	179.6	-169.6	59.1	0	0	0	112.5	K209 K210 C214 F215 W258	K209-I212 WeakPolarHBondContact O-CG2 3.46Å; K210-I212 VanDerWaalsContact C-N 3.28Å; K210-I212 PolarHBondContact O-N 3.47Å; I212-C214 PolarHBondContact O-N 3.25Å; I212-C214 VanDerWaalsContact O-N 3.16Å; I212-F215 HydrophobicContact CD1-CB 4.42Å; I212-F215 HydrophobicContact CD1-CD2 3.61Å; I212-F215 HydrophobicContact CD1-CE2 4.14Å; I212-F215 HydrophobicContact CD1-CG 4.15Å; I212-F215 PolarHBondContact O-N 3.37Å; I212-W258 HydrophobicContact CD1-CZ2 4.38Å
213	H	92.6	Very high	94.4	Very high	142 Å²	142	50.8 Å²	50.8	66%	0.657	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-67.9	-11.2	177.1	-58.1	-58.8	0	0	0	113.5	I184 K210 W211	I184-H213 HydrophobicContact CD1-CB 4.05Å; K210-H213 WeakPolarHBondContact O-CB 3.44Å; K210-H213 PolarHBondContact O-CD2 3.47Å; K210-H213 PolarHBondContact O-N 3.43Å; W211-H213 PolarHBondContact O-N 3.41Å; W211-H213 VanDerWaalsContact O-N 3.07Å
214	C	94.7	Very high	94.6	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.041	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-107.5	-0.7	-179.2	-57.1	0	0	0	0	113.6	K35 L37 I184 V199 W211 I212 Q216 V218	K35-C214 WeakPolarHBondContact CE-O 3.4Å; K35-C214 PolarHBondContact NZ-O 3.41Å; L37-C214 HydrophobicContact CD1-CB 3.67Å; L37-C214 HydrophobicContact CD2-CB 4.34Å; I184-C214 WeakPolarHBondContact CD1-SG 3.19Å; I184-C214 VanDerWaalsContact CG2-SG 3.58Å; V199-C214 HydrophobicContact CG1-CB 4.11Å; W211-C214 WeakPolarHBondContact O-CB 3.3Å; W211-C214 PolarHBondContact O-N 2.94Å; I212-C214 PolarHBondContact O-N 3.25Å; I212-C214 VanDerWaalsContact O-N 3.16Å; C214-Q216 PolarHBondContact O-N 2.75Å; C214-V218 VanDerWaalsContact O-CG2 3.28Å; C214-V218 WeakPolarHBondContact O-CG2 3.41Å
215	F	94.1	Very high	94.8	Very high	14 Å²	14	49.8 Å²	49.8	6%	0.061	24%	0.239	C	C	.	.			trans	-80.5	-14.1	-166.6	-76.6	15.9	0	0	0	115	L37 W211 I212 I253 W258 F259	L37-F215 HydrophobicContact CD2-CD1 3.82Å; L37-F215 HydrophobicContact CD2-CE1 3.92Å; W211-F215 HydrophobicContact CB-CE1 3.82Å; W211-F215 HydrophobicContact CB-CZ 4.18Å; W211-F215 WeakPolarHBondContact O-CD1 3.24Å; W211-F215 WeakPolarHBondContact O-CE1 3Å; I212-F215 HydrophobicContact CD1-CB 4.42Å; I212-F215 HydrophobicContact CD1-CD2 3.61Å; I212-F215 HydrophobicContact CD1-CE2 4.14Å; I212-F215 HydrophobicContact CD1-CG 4.15Å; I212-F215 PolarHBondContact O-N 3.37Å; F215-I253 HydrophobicContact CZ-CD1 4.19Å; F215-W258 HydrophobicContact CB-CB 4.47Å; F215-W258 HydrophobicContact CB-CD2 4.2Å; F215-W258 HydrophobicContact CB-CE3 4.06Å; F215-W258 HydrophobicContact CB-CG 4.4Å; F215-W258 HydrophobicContact CD2-CB 3.85Å; F215-W258 HydrophobicContact CD2-CD2 4.37Å; F215-W258 AromaticContact CD2-CG 3.83Å; F215-W258 HydrophobicContact CD2-CG 3.83Å; F215-F259 HydrophobicContact CB-CE1 4.11Å; F215-F259 HydrophobicContact CB-CZ 4.2Å; F215-F259 HydrophobicContact CD1-CE1 4.06Å; F215-F259 HydrophobicContact CD1-CE2 4.32Å; F215-F259 AromaticContact CD1-CZ 3.38Å; F215-F259 HydrophobicContact CD1-CZ 3.38Å; F215-F259 HydrophobicContact CD2-CE1 4.1Å; F215-F259 AromaticContact CD2-CE2 3.93Å; F215-F259 HydrophobicContact CD2-CE2 3.93Å; F215-F259 AromaticContact CD2-CZ 3.5Å; F215-F259 HydrophobicContact CD2-CZ 3.5Å; F215-F259 VanDerWaalsContact CD2-CZ 3.5Å; F215-F259 HydrophobicContact CE1-CE1 4.49Å; F215-F259 AromaticContact CE1-CE2 3.98Å; F215-F259 HydrophobicContact CE1-CE2 3.98Å; F215-F259 AromaticContact CE1-CZ 3.42Å; F215-F259 HydrophobicContact CE1-CZ 3.42Å; F215-F259 VanDerWaalsContact CE1-CZ 3.42Å; F215-F259 AromaticContact CE2-CE2 3.57Å; F215-F259 HydrophobicContact CE2-CE2 3.57Å; F215-F259 AromaticContact CE2-CZ 3.54Å; F215-F259 HydrophobicContact CE2-CZ 3.54Å; F215-F259 AromaticContact CG-CE1 3.84Å; F215-F259 HydrophobicContact CG-CE1 3.84Å; F215-F259 HydrophobicContact CG-CE2 4.3Å; F215-F259 AromaticContact CG-CZ 3.42Å; F215-F259 HydrophobicContact CG-CZ 3.42Å; F215-F259 VanDerWaalsContact CG-CZ 3.42Å; F215-F259 AromaticContact CZ-CE2 3.59Å; F215-F259 HydrophobicContact CZ-CE2 3.59Å; F215-F259 AromaticContact CZ-CZ 3.5Å; F215-F259 HydrophobicContact CZ-CZ 3.5Å; F215-F259 VanDerWaalsContact CZ-CZ 3.5Å
216	Q	91.2	Very high	95	Very high	130 Å²	130	45.7 Å²	45.7	61%	0.607	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	141.2	175.4	-70.5	177.4	-18.8	0	0	111.6	K35 C214 V218 W258	K35-Q216 PolarHBondContact NZ-O 3.15Å; C214-Q216 PolarHBondContact O-N 2.75Å; Q216-V218 PolarHBondContact O-N 3.38Å; Q216-V218 VanDerWaalsContact O-N 3.12Å; Q216-W258 HydrophobicContact CG-CZ3 4.33Å
217	D	89.9	Confident	95.2	Very high	144 Å²	144	42.2 Å²	42.2	77%	0.77	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	34	170.2	-48	-43.6	0	0	0	114.6	K35 T219	K35-D217 WeakPolarHBondContact CB-O 3.4Å; D217-T219 PolarHBondContact O-N 2.99Å
218	V	94.1	Very high	95.3	Very high	10 Å²	10	41.5 Å²	41.5	6%	0.061	20%	0.197	C	C	.	.			trans	-78.8	116.2	178.3	179.6	0	0	0	0	109.9	K35 L37 C214 Q216 A220 I221 F259 T262	K35-V218 HydrophobicContact CD-CG2 4.33Å; L37-V218 HydrophobicContact CB-CG1 3.85Å; L37-V218 HydrophobicContact CB-CG2 4.26Å; L37-V218 HydrophobicContact CD2-CG2 4.12Å; C214-V218 VanDerWaalsContact O-CG2 3.28Å; C214-V218 WeakPolarHBondContact O-CG2 3.41Å; Q216-V218 PolarHBondContact O-N 3.38Å; Q216-V218 VanDerWaalsContact O-N 3.12Å; V218-A220 WeakPolarHBondContact CG1-O 3.45Å; V218-I221 HydrophobicContact CG1-CG1 4.06Å; V218-F259 HydrophobicContact CB-CE1 4.39Å; V218-F259 HydrophobicContact CG2-CE1 4.26Å; V218-T262 HydrophobicContact CB-CG2 4.34Å; V218-T262 HydrophobicContact CG1-CG2 3.77Å; V218-T262 PolarHBondContact O-OG1 2.84Å
219	T	92.9	Very high	95.4	Very high	18 Å²	18	39.6 Å²	39.6	11%	0.11	19%	0.19	C	C	.	.	S	Bend	trans	-70.9	-51	174.5	-44.1	0	0	0	0	110.3	A34 K35 D217 S263 I342 R345	A34-T219 WeakPolarHBondContact CA-OG1 3.42Å; A34-T219 HydrophobicContact CB-CG2 4.37Å; K35-T219 PolarHBondContact N-OG1 3.03Å; K35-T219 WeakPolarHBondContact O-CA 3.49Å; K35-T219 WeakPolarHBondContact O-CB 3.35Å; K35-T219 PolarHBondContact O-N 3.16Å; D217-T219 PolarHBondContact O-N 2.99Å; T219-S263 PolarHBondContact O-N 2.92Å; T219-I342 HydrophobicContact CG2-CD1 3.89Å; T219-I342 HydrophobicContact CG2-CG2 4.14Å; T219-R345 PolarHBondContact O-NH1 3.41Å
220	A	95.1	Very high	95.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.8	174.7	0	0	0	0	0	112.4	K35 L36 L37 V218 S263 L265 I342	K35-A220 PolarHBondContact O-N 2.95Å; L36-A220 WeakPolarHBondContact CA-O 3.26Å; L36-A220 HydrophobicContact CD2-CB 3.75Å; L37-A220 PolarHBondContact N-O 3.41Å; V218-A220 WeakPolarHBondContact CG1-O 3.45Å; A220-S263 VanDerWaalsContact CA-O 3.29Å; A220-S263 WeakPolarHBondContact CA-O 3.43Å; A220-S263 WeakPolarHBondContact CB-O 3.42Å; A220-L265 HydrophobicContact CB-CD1 3.85Å; A220-I342 HydrophobicContact CB-CD1 3.61Å
221	I	96.9	Very high	95.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.2	170.2	-69.3	162.5	0	0	0	107.9	L37 L39 V218 F223 I253 F259 T262 S263 M264 L265	L37-I221 HydrophobicContact CB-CG1 4.44Å; L37-I221 WeakPolarHBondContact O-CA 3.49Å; L39-I221 HydrophobicContact CB-CG2 4.3Å; L39-I221 HydrophobicContact CD1-CD1 4.41Å; L39-I221 HydrophobicContact CD1-CG1 4.45Å; L39-I221 HydrophobicContact CD1-CG2 4Å; L39-I221 HydrophobicContact CG-CG2 4.29Å; V218-I221 HydrophobicContact CG1-CG1 4.06Å; I221-F223 HydrophobicContact CG2-CB 4.28Å; I221-I253 HydrophobicContact CD1-CG2 3.99Å; I221-I253 HydrophobicContact CG2-CG2 4.31Å; I221-F259 HydrophobicContact CD1-CB 3.97Å; I221-F259 HydrophobicContact CD1-CD1 3.59Å; I221-F259 HydrophobicContact CD1-CD2 3.34Å; I221-F259 HydrophobicContact CD1-CE1 3.75Å; I221-F259 HydrophobicContact CD1-CE2 3.51Å; I221-F259 HydrophobicContact CD1-CG 3.36Å; I221-F259 HydrophobicContact CD1-CZ 3.67Å; I221-F259 HydrophobicContact CG1-CD1 4.5Å; I221-F259 HydrophobicContact CG1-CE1 4.42Å; I221-F259 HydrophobicContact CG1-CZ 4.46Å; I221-T262 HydrophobicContact CD1-CG2 4.09Å; I221-T262 HydrophobicContact CG1-CG2 3.94Å; I221-S263 PolarHBondContact N-O 2.93Å; I221-M264 HydrophobicContact CB-CE 3.98Å; I221-M264 HydrophobicContact CB-SD 3.8Å; I221-M264 HydrophobicContact CD1-CE 3.71Å; I221-M264 HydrophobicContact CG1-CE 4.45Å; I221-M264 HydrophobicContact CG2-CE 4.2Å; I221-M264 HydrophobicContact CG2-SD 3.67Å; I221-L265 WeakPolarHBondContact O-CB 3.48Å; I221-L265 PolarHBondContact O-N 3.06Å
222	I	97.8	Very high	95.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	102.3	164.5	-61.3	170.5	0	0	0	106.4	L36 L37 L38 L39 V224 L265 F267	L36-I222 HydrophobicContact CB-CD1 4.38Å; L36-I222 HydrophobicContact CD1-CD1 4.18Å; L37-I222 PolarHBondContact O-N 2.7Å; L38-I222 WeakPolarHBondContact CA-O 3.49Å; L38-I222 HydrophobicContact CD2-CB 3.71Å; L38-I222 HydrophobicContact CD2-CD1 4.17Å; L38-I222 HydrophobicContact CD2-CG2 3.68Å; L39-I222 PolarHBondContact N-O 3.23Å; I222-V224 HydrophobicContact CG2-CG2 3.98Å; I222-L265 WeakPolarHBondContact CA-O 3.4Å; I222-L265 HydrophobicContact CD1-CD1 4.31Å; I222-L265 HydrophobicContact CG1-CB 4.16Å; I222-L265 HydrophobicContact CG1-CD1 3.51Å; I222-L265 HydrophobicContact CG1-CG 4.48Å; I222-F267 HydrophobicContact CD1-CZ 4.42Å; I222-F267 HydrophobicContact CG2-CB 4.42Å; I222-F267 HydrophobicContact CG2-CD1 4.02Å; I222-F267 HydrophobicContact CG2-CD2 3.59Å; I222-F267 HydrophobicContact CG2-CE1 4.1Å; I222-F267 HydrophobicContact CG2-CE2 3.67Å; I222-F267 HydrophobicContact CG2-CG 3.75Å; I222-F267 HydrophobicContact CG2-CZ 3.91Å
223	F	98.5	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.5	175.8	-164.3	-84.3	0	0	0	109.9	L39 I221 V225 L249 F250 I253 M264 L265 L266 F267	L39-F223 HydrophobicContact CB-CD2 3.93Å; L39-F223 HydrophobicContact CB-CE2 4.39Å; L39-F223 CarbonylContact O-C 3.26Å; L39-F223 WeakPolarHBondContact O-CA 3.44Å; I221-F223 HydrophobicContact CG2-CB 4.28Å; F223-V225 HydrophobicContact CD1-CG2 3.83Å; F223-V225 HydrophobicContact CE1-CG2 3.87Å; F223-L249 HydrophobicContact CE2-CD2 4.16Å; F223-L249 HydrophobicContact CE2-CG 3.9Å; F223-L249 HydrophobicContact CZ-CB 4.08Å; F223-L249 HydrophobicContact CZ-CD2 3.88Å; F223-L249 HydrophobicContact CZ-CG 3.79Å; F223-F250 HydrophobicContact CB-CD2 3.97Å; F223-F250 HydrophobicContact CB-CE2 4.1Å; F223-F250 HydrophobicContact CD1-CB 4.21Å; F223-F250 AromaticContact CD1-CD2 3.53Å; F223-F250 HydrophobicContact CD1-CD2 3.53Å; F223-F250 HydrophobicContact CD1-CE2 4.36Å; F223-F250 HydrophobicContact CD1-CG 4.29Å; F223-F250 AromaticContact CD2-CD2 3.96Å; F223-F250 HydrophobicContact CD2-CD2 3.96Å; F223-F250 HydrophobicContact CE1-CB 3.7Å; F223-F250 AromaticContact CE1-CD2 3.94Å; F223-F250 HydrophobicContact CE1-CD2 3.94Å; F223-F250 HydrophobicContact CE1-CG 4.27Å; F223-F250 HydrophobicContact CE2-CB 4.26Å; F223-F250 HydrophobicContact CE2-CD2 4.31Å; F223-F250 AromaticContact CG-CD2 3.54Å; F223-F250 HydrophobicContact CG-CD2 3.54Å; F223-F250 HydrophobicContact CG-CE2 4.19Å; F223-F250 HydrophobicContact CZ-CB 3.72Å; F223-F250 HydrophobicContact CZ-CD2 4.3Å; F223-I253 HydrophobicContact CD2-CB 4.44Å; F223-I253 HydrophobicContact CD2-CG2 4.32Å; F223-I253 HydrophobicContact CE2-CB 4.36Å; F223-I253 HydrophobicContact CE2-CG1 4.22Å; F223-M264 HydrophobicContact CB-SD 4.4Å; F223-L265 PolarHBondContact N-O 3.3Å; F223-L266 HydrophobicContact CD1-CD1 4.2Å; F223-F267 PolarHBondContact O-N 2.92Å
224	V	98.7	Very high	96.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.7	-173.7	-169.4	0	0	0	0	110	L38 L39 S44 K46 I49 I222 F267 N269	L38-V224 HydrophobicContact CD2-CG2 4.22Å; L39-V224 PolarHBondContact O-N 2.7Å; S44-V224 WeakPolarHBondContact CB-O 3.01Å; S44-V224 VanDerWaalsContact O-CG1 3.24Å; S44-V224 WeakPolarHBondContact O-CG1 3.36Å; S44-V224 PolarHBondContact OG-O 3.31Å; K46-V224 HydrophobicContact CG-CB 4Å; K46-V224 HydrophobicContact CG-CG2 3.82Å; I49-V224 HydrophobicContact CD1-CB 4.45Å; I49-V224 HydrophobicContact CD1-CG1 3.92Å; I49-V224 HydrophobicContact CD1-CG2 3.6Å; I222-V224 HydrophobicContact CG2-CG2 3.98Å; V224-F267 HydrophobicContact CG1-CB 4.47Å; V224-F267 HydrophobicContact CG2-CB 4.38Å; V224-N269 HydrophobicContact CG1-CB 3.76Å
225	V	98.8	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.7	176.5	-179.8	0	0	0	0	108.6	F223 L227 M243 L266 F267 L268 N269 F307	F223-V225 HydrophobicContact CD1-CG2 3.83Å; F223-V225 HydrophobicContact CE1-CG2 3.87Å; V225-L227 PolarHBondContact O-N 3.33Å; V225-M243 HydrophobicContact CG1-CE 4.1Å; V225-M243 HydrophobicContact CG1-SD 3.81Å; V225-L266 HydrophobicContact CG2-CD1 3.69Å; V225-F267 PolarHBondContact N-O 3.42Å; V225-L268 HydrophobicContact CB-CD2 4Å; V225-L268 HydrophobicContact CG1-CD2 4.3Å; V225-L268 HydrophobicContact CG2-CD2 4.21Å; V225-N269 WeakPolarHBondContact O-CA 3.42Å; V225-N269 WeakPolarHBondContact O-CB 3.41Å; V225-N269 PolarHBondContact O-N 3.28Å; V225-F307 HydrophobicContact CB-CZ 4.24Å; V225-F307 HydrophobicContact CG1-CE1 4.36Å; V225-F307 HydrophobicContact CG1-CE2 3.76Å; V225-F307 HydrophobicContact CG1-CZ 3.55Å; V225-F307 HydrophobicContact CG2-CD1 4.08Å; V225-F307 HydrophobicContact CG2-CE1 3.52Å; V225-F307 HydrophobicContact CG2-CE2 4.18Å; V225-F307 HydrophobicContact CG2-CZ 3.59Å
226	A	98.4	Very high	95.8	Very high	7 Å²	7	25.3 Å²	25.3	6%	0.058	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	106.5	168.6	0	0	0	0	0	110	S228 E229 M243 K270	A226-S228 PolarHBondContact O-N 3.48Å; A226-E229 HydrophobicContact CB-CB 4.13Å; A226-E229 VanDerWaalsContact CB-CD 3.43Å; A226-E229 HydrophobicContact CB-CG 3.59Å; A226-E229 VanDerWaalsContact CB-OE1 3.25Å; A226-E229 WeakPolarHBondContact CB-OE1 3.41Å; A226-E229 PolarHBondContact O-N 3.26Å; A226-M243 WeakPolarHBondContact O-CE 3.35Å; A226-K270 HydrophobicContact CB-CD 3.77Å; A226-K270 HydrophobicContact CB-CG 4.37Å
227	L	98.7	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-58.5	-38.9	177.4	-74.8	175.7	0	0	0	111.8	V225 E229 Y230 L268 N269 F274 I303 F322	V225-L227 PolarHBondContact O-N 3.33Å; L227-E229 PolarHBondContact O-N 3.15Å; L227-E229 VanDerWaalsContact O-N 3.14Å; L227-Y230 VanDerWaalsContact O-CD1 3.27Å; L227-Y230 WeakPolarHBondContact O-CD1 3.39Å; L227-L268 HydrophobicContact CD1-CB 3.86Å; L227-L268 HydrophobicContact CD2-CB 3.98Å; L227-L268 HydrophobicContact CD2-CD2 4.25Å; L227-L268 HydrophobicContact CD2-CG 4.47Å; L227-L268 HydrophobicContact CG-CB 3.88Å; L227-N269 WeakPolarHBondContact CB-O 3.47Å; L227-N269 PolarHBondContact N-O 2.84Å; L227-F274 HydrophobicContact CB-CB 3.62Å; L227-F274 HydrophobicContact CB-CD1 4.21Å; L227-F274 HydrophobicContact CB-CD2 4.04Å; L227-F274 HydrophobicContact CB-CG 3.69Å; L227-F274 HydrophobicContact CD1-CD1 4.18Å; L227-F274 HydrophobicContact CD1-CG 4.46Å; L227-F274 WeakPolarHBondContact O-CD2 3.43Å; L227-I303 HydrophobicContact CD2-CB 4.22Å; L227-I303 HydrophobicContact CD2-CD1 3.93Å; L227-I303 HydrophobicContact CD2-CG2 3.75Å; L227-F322 HydrophobicContact CD1-CD1 3.67Å; L227-F322 HydrophobicContact CD1-CE1 3.89Å
228	S	97.9	Very high	95.8	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-69.6	-5.8	-176.7	61.5	0	0	0	0	114.7	A226 K270 K277	A226-S228 PolarHBondContact O-N 3.48Å; S228-K270 VanDerWaalsContact OG-CD 3.29Å; S228-K270 WeakPolarHBondContact OG-CD 3.37Å; S228-K277 WeakPolarHBondContact O-CE 3.49Å; S228-K277 PolarHBondContact O-NZ 3.06Å
229	E	97.6	Very high	95.8	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.042	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-97.6	7.1	-174	-65	-176	-157	0	0	113.8	A226 L227 D231 L232 R242 K270	A226-E229 HydrophobicContact CB-CB 4.13Å; A226-E229 VanDerWaalsContact CB-CD 3.43Å; A226-E229 HydrophobicContact CB-CG 3.59Å; A226-E229 VanDerWaalsContact CB-OE1 3.25Å; A226-E229 WeakPolarHBondContact CB-OE1 3.41Å; A226-E229 PolarHBondContact O-N 3.26Å; L227-E229 PolarHBondContact O-N 3.15Å; L227-E229 VanDerWaalsContact O-N 3.14Å; E229-D231 PolarHBondContact O-N 3.5Å; E229-D231 VanDerWaalsContact O-N 3.15Å; E229-L232 HydrophobicContact CB-CD1 4.19Å; E229-L232 HydrophobicContact CG-CD1 3.94Å; E229-L232 PolarHBondContact O-N 2.96Å; E229-L232 VanDerWaalsContact O-N 3.11Å; E229-R242 HydrophobicContact CB-CB 4.05Å; E229-R242 IonicContact OE1-NH1 3.16Å; E229-R242 WeakPolarHBondContact OE2-CD 3.34Å; E229-R242 IonicContact OE2-CZ 2.75Å; E229-R242 IonicContact OE2-NE 2.7Å; E229-R242 IonicContact OE2-NH1 2.76Å; E229-R242 PolarHBondContact OE2-NH1 2.94Å; E229-K270 IonicContact OE1-NZ 2.71Å; E229-K270 PolarHBondContact OE1-NZ 3.22Å
230	Y	98	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.2	179.7	71	-83.3	0	0	0	114.3	L227 N241 F274 K277 I278 S281 L283 C286	L227-Y230 VanDerWaalsContact O-CD1 3.27Å; L227-Y230 WeakPolarHBondContact O-CD1 3.39Å; Y230-N241 PolarHBondContact O-ND2 3.1Å; Y230-F274 AromaticContact CD1-CD2 3.8Å; Y230-F274 HydrophobicContact CD1-CD2 3.8Å; Y230-F274 AromaticContact CD1-CE2 3.83Å; Y230-F274 HydrophobicContact CD1-CE2 3.83Å; Y230-F274 AromaticContact CE1-CD2 3.64Å; Y230-F274 HydrophobicContact CE1-CD2 3.64Å; Y230-F274 AromaticContact CE1-CE2 3.74Å; Y230-F274 HydrophobicContact CE1-CE2 3.74Å; Y230-K277 HydrophobicContact CE1-CD 3.73Å; Y230-K277 HydrophobicContact CE1-CG 4.25Å; Y230-I278 HydrophobicContact CE2-CD1 4.29Å; Y230-I278 WeakPolarHBondContact OH-CA 3.49Å; Y230-S281 VanDerWaalsContact CE2-O 3.31Å; Y230-S281 WeakPolarHBondContact CE2-O 3.46Å; Y230-S281 WeakPolarHBondContact OH-CB 3.4Å; Y230-S281 PolarHBondContact OH-O 3.3Å; Y230-L283 HydrophobicContact CD2-CD1 3.96Å; Y230-L283 HydrophobicContact CG-CD1 4.15Å; Y230-C286 WeakPolarHBondContact O-CB 3.36Å
231	D	97.1	Very high	96	Very high	14 Å²	14	29 Å²	29	8%	0.075	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	15.4	-179.5	69.2	-18	0	0	0	113.7	E229 K277 S281 I285	E229-D231 PolarHBondContact O-N 3.5Å; E229-D231 VanDerWaalsContact O-N 3.15Å; D231-K277 WeakPolarHBondContact OD1-CD 3.17Å; D231-K277 IonicContact OD1-NZ 3.06Å; D231-K277 PolarHBondContact OD1-NZ 3.16Å; D231-K277 IonicContact OD2-NZ 3.78Å; D231-S281 WeakPolarHBondContact CB-OG 3.28Å; D231-S281 WeakPolarHBondContact OD2-CB 3.28Å; D231-S281 PolarHBondContact OD2-OG 2.98Å; D231-I285 HydrophobicContact CB-CD1 4.04Å; D231-I285 HydrophobicContact CB-CG2 4.24Å
232	L	97	Very high	96.1	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.105	17%	0.169	C	C	.	.			trans	-110.9	148	-177.1	-56.9	-174.3	0	0	0	112.6	R144 E229 N241 R242	R144-L232 HydrophobicContact CB-CD2 3.8Å; E229-L232 HydrophobicContact CB-CD1 4.19Å; E229-L232 HydrophobicContact CG-CD1 3.94Å; E229-L232 PolarHBondContact O-N 2.96Å; E229-L232 VanDerWaalsContact O-N 3.11Å; L232-N241 WeakPolarHBondContact O-CA 3.26Å; L232-R242 HydrophobicContact CB-CB 4.49Å; L232-R242 HydrophobicContact CB-CG 3.88Å; L232-R242 WeakPolarHBondContact O-CG 3.5Å; L232-R242 PolarHBondContact O-N 3.18Å
233	G	95.8	Very high	96.1	Very high	17 Å²	17	29.6 Å²	29.6	18%	0.175	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-85.8	154.9	162.9	0	0	0	0	0	112.2	Q147 T240 R242	Q147-G233 PolarHBondContact NE2-O 2.98Å; G233-T240 CarbonylContact C-O 3.58Å; G233-T240 WeakPolarHBondContact CA-O 3.22Å; G233-R242 VanDerWaalsContact C-CG 3.47Å; G233-R242 WeakPolarHBondContact O-CG 3.19Å; G233-R242 PolarHBondContact O-NE 2.88Å
234	L	94.7	Very high	96.1	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.042	19%	0.185	C	C	.	.			trans	-62.5	147.4	174.4	-64.6	171.8	0	0	0	111	E236 D237 Q238 T240 R242 E245	L234-E236 VanDerWaalsContact C-N 3.28Å; L234-D237 WeakPolarHBondContact CB-O 3.39Å; L234-D237 PolarHBondContact N-O 2.91Å; L234-D237 CarbonylContact O-C 3.56Å; L234-D237 VanDerWaalsContact O-C 3.26Å; L234-D237 PolarHBondContact O-N 3.03Å; L234-Q238 PolarHBondContact O-N 2.89Å; L234-T240 HydrophobicContact CD1-CG2 3.66Å; L234-T240 HydrophobicContact CG-CG2 4.23Å; L234-T240 PolarHBondContact N-O 2.95Å; L234-R242 HydrophobicContact CD2-CB 4.34Å; L234-R242 HydrophobicContact CD2-CG 3.92Å; L234-R242 HydrophobicContact CG-CG 4.41Å; L234-E245 HydrophobicContact CD1-CB 3.97Å; L234-E245 HydrophobicContact CD1-CG 3.8Å; L234-E245 HydrophobicContact CD2-CB 3.97Å; L234-E245 HydrophobicContact CD2-CG 3.84Å; L234-E245 HydrophobicContact CG-CB 4.28Å; L234-E245 HydrophobicContact CG-CG 4.38Å
235	A	91.7	Very high	96	Very high	60 Å²	60	33 Å²	33	50%	0.496	19%	0.188	S	C	.	.	S	Bend	trans	-66.8	-34.9	171.8	0	0	0	0	0	111.3	Q147	Q147-A235 HydrophobicContact CG-CB 4.42Å
236	E	91.4	Very high	96	Very high	93 Å²	93	33.2 Å²	33.2	44%	0.435	19%	0.19	S	C	.	.	S	Bend	trans	-75.7	-22.9	178	-58.9	98.5	136.8	0	0	113.8	Q204 R205 L234	Q204-E236 WeakPolarHBondContact CA-OE1 3.38Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.42Å; R205-E236 PolarHBondContact N-OE1 3.43Å; L234-E236 VanDerWaalsContact C-N 3.28Å
237	D	91.6	Very high	96	Very high	46 Å²	46	34.1 Å²	34.1	25%	0.246	19%	0.193	C	C	.	.			trans	-161.1	103.6	-177.8	167.5	23.1	0	0	0	110.1	R205 L234 T239 T240	R205-D237 IonicContact NH1-OD2 2.68Å; L234-D237 WeakPolarHBondContact CB-O 3.39Å; L234-D237 PolarHBondContact N-O 2.91Å; L234-D237 CarbonylContact O-C 3.56Å; L234-D237 VanDerWaalsContact O-C 3.26Å; L234-D237 PolarHBondContact O-N 3.03Å; D237-T239 VanDerWaalsContact CG-OG1 3.29Å; D237-T239 PolarHBondContact O-N 2.81Å; D237-T239 VanDerWaalsContact O-N 3.11Å; D237-T239 WeakPolarHBondContact OD1-CB 3.33Å; D237-T239 PolarHBondContact OD1-N 2.9Å; D237-T239 PolarHBondContact OD1-OG1 2.63Å; D237-T239 PolarHBondContact OD2-OG1 3.06Å; D237-T240 PolarHBondContact O-N 3.5Å; D237-T240 WeakPolarHBondContact OD2-CB 3.37Å; D237-T240 PolarHBondContact OD2-OG1 3.15Å
238	Q	89.4	Confident	96	Very high	140 Å²	140	38.7 Å²	38.7	65%	0.654	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-10	-175	-65.1	-171.8	-6.5	0	0	114	L234	L234-Q238 PolarHBondContact O-N 2.89Å
239	T	93.1	Very high	96	Very high	129 Å²	129	39.3 Å²	39.3	79%	0.791	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-23.6	177.4	70.3	0	0	0	0	112.7	D237	D237-T239 VanDerWaalsContact CG-OG1 3.29Å; D237-T239 PolarHBondContact O-N 2.81Å; D237-T239 VanDerWaalsContact O-N 3.11Å; D237-T239 WeakPolarHBondContact OD1-CB 3.33Å; D237-T239 PolarHBondContact OD1-N 2.9Å; D237-T239 PolarHBondContact OD1-OG1 2.63Å; D237-T239 PolarHBondContact OD2-OG1 3.06Å
240	T	95.9	Very high	96	Very high	33 Å²	33	38.9 Å²	38.9	20%	0.202	22%	0.219	C	C	.	.	S	Bend	trans	-92	124.4	179.7	-61.8	0	0	0	0	110.3	G233 L234 D237 E245	G233-T240 CarbonylContact C-O 3.58Å; G233-T240 WeakPolarHBondContact CA-O 3.22Å; L234-T240 HydrophobicContact CD1-CG2 3.66Å; L234-T240 HydrophobicContact CG-CG2 4.23Å; L234-T240 PolarHBondContact N-O 2.95Å; D237-T240 PolarHBondContact O-N 3.5Å; D237-T240 WeakPolarHBondContact OD2-CB 3.37Å; D237-T240 PolarHBondContact OD2-OG1 3.15Å; T240-E245 HydrophobicContact CG2-CB 4.1Å
241	N	97.5	Very high	96	Very high	30 Å²	30	40.9 Å²	40.9	16%	0.16	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-66.3	135.9	172.5	-179.8	-76.4	0	0	0	111.6	Y230 L232 M243 V244 E245 C286	Y230-N241 PolarHBondContact O-ND2 3.1Å; L232-N241 WeakPolarHBondContact O-CA 3.26Å; N241-M243 PolarHBondContact O-N 3.47Å; N241-M243 WeakPolarHBondContact OD1-CA 3.35Å; N241-M243 WeakPolarHBondContact OD1-CB 3.31Å; N241-M243 PolarHBondContact OD1-N 3.26Å; N241-V244 HydrophobicContact CB-CB 4.14Å; N241-V244 HydrophobicContact CB-CG2 3.94Å; N241-V244 PolarHBondContact O-N 2.98Å; N241-V244 PolarHBondContact OD1-N 3.37Å; N241-E245 PolarHBondContact O-N 3.19Å; N241-C286 PolarHBondContact OD1-SG 3.37Å
242	R	97.7	Very high	96	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.045	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-37.9	-175.9	-64.7	-158.3	179	-166.3	-1.2	113.7	E43 E229 L232 G233 L234 E245 S246	E43-R242 IonicContact OE2-CZ 3.27Å; E43-R242 IonicContact OE2-NH1 2.97Å; E43-R242 PolarHBondContact OE2-NH1 3.46Å; E43-R242 IonicContact OE2-NH2 3.58Å; E43-R242 PolarHBondContact OE2-NH2 3.38Å; E229-R242 HydrophobicContact CB-CB 4.05Å; E229-R242 IonicContact OE1-NH1 3.16Å; E229-R242 WeakPolarHBondContact OE2-CD 3.34Å; E229-R242 IonicContact OE2-CZ 2.75Å; E229-R242 IonicContact OE2-NE 2.7Å; E229-R242 IonicContact OE2-NH1 2.76Å; E229-R242 PolarHBondContact OE2-NH1 2.94Å; L232-R242 HydrophobicContact CB-CB 4.49Å; L232-R242 HydrophobicContact CB-CG 3.88Å; L232-R242 WeakPolarHBondContact O-CG 3.5Å; L232-R242 PolarHBondContact O-N 3.18Å; G233-R242 VanDerWaalsContact C-CG 3.47Å; G233-R242 WeakPolarHBondContact O-CG 3.19Å; G233-R242 PolarHBondContact O-NE 2.88Å; L234-R242 HydrophobicContact CD2-CB 4.34Å; L234-R242 HydrophobicContact CD2-CG 3.92Å; L234-R242 HydrophobicContact CG-CG 4.41Å; R242-E245 PolarHBondContact O-N 3.5Å; R242-S246 WeakPolarHBondContact O-CB 3.3Å; R242-S246 PolarHBondContact O-N 2.86Å
243	M	98.3	Very high	95.9	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-69.9	-40.7	178	-179.3	65.8	73	0	0	111.2	V225 A226 N241 E245 S246 M247 F287 I303 F307	V225-M243 HydrophobicContact CG1-CE 4.1Å; V225-M243 HydrophobicContact CG1-SD 3.81Å; A226-M243 WeakPolarHBondContact O-CE 3.35Å; N241-M243 PolarHBondContact O-N 3.47Å; N241-M243 WeakPolarHBondContact OD1-CA 3.35Å; N241-M243 WeakPolarHBondContact OD1-CB 3.31Å; N241-M243 PolarHBondContact OD1-N 3.26Å; M243-E245 PolarHBondContact O-N 3.07Å; M243-S246 WeakPolarHBondContact O-CB 3.42Å; M243-S246 PolarHBondContact O-N 3Å; M243-S246 VanDerWaalsContact O-N 3.15Å; M243-M247 WeakPolarHBondContact O-CG 3.45Å; M243-M247 PolarHBondContact O-N 3.42Å; M243-F287 HydrophobicContact CG-CE2 4.09Å; M243-F287 HydrophobicContact CG-CZ 3.9Å; M243-I303 HydrophobicContact CE-CD1 4.34Å; M243-I303 HydrophobicContact CE-CG2 4.27Å; M243-I303 HydrophobicContact SD-CG2 4.25Å; M243-F307 HydrophobicContact SD-CE2 3.52Å; M243-F307 VanDerWaalsContact SD-CE2 3.52Å; M243-F307 HydrophobicContact SD-CZ 3.76Å
244	V	98	Very high	95.9	Very high	56 Å²	56	42.1 Å²	42.1	34%	0.339	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-44.9	173.1	175.5	0	0	0	0	111.2	N241 S246 M247 N248	N241-V244 HydrophobicContact CB-CB 4.14Å; N241-V244 HydrophobicContact CB-CG2 3.94Å; N241-V244 PolarHBondContact O-N 2.98Å; N241-V244 PolarHBondContact OD1-N 3.37Å; V244-S246 VanDerWaalsContact C-N 3.3Å; V244-S246 PolarHBondContact O-N 3.3Å; V244-M247 PolarHBondContact O-N 2.88Å; V244-N248 PolarHBondContact O-N 2.87Å; V244-N248 PolarHBondContact O-ND2 3.49Å
245	E	97.8	Very high	96	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.07	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-43.2	172.9	175.4	72.8	176.9	0	0	111.7	R205 R208 L234 T240 N241 R242 M243 M247 N248 L249	R205-E245 IonicContact CZ-OE1 3.99Å; R205-E245 IonicContact CZ-OE2 3.7Å; R205-E245 IonicContact NE-OE1 2.64Å; R205-E245 PolarHBondContact NE-OE1 3.42Å; R205-E245 IonicContact NE-OE2 3.5Å; R205-E245 IonicContact NH2-OE1 3.86Å; R205-E245 IonicContact NH2-OE2 3.88Å; R205-E245 PolarHBondContact NH2-OE2 3.23Å; R208-E245 IonicContact CZ-OE1 3.65Å; R208-E245 IonicContact NH1-OE1 2.95Å; R208-E245 PolarHBondContact NH1-OE1 2.66Å; R208-E245 IonicContact NH2-OE1 2.75Å; R208-E245 PolarHBondContact NH2-OE1 3.27Å; L234-E245 HydrophobicContact CD1-CB 3.97Å; L234-E245 HydrophobicContact CD1-CG 3.8Å; L234-E245 HydrophobicContact CD2-CB 3.97Å; L234-E245 HydrophobicContact CD2-CG 3.84Å; L234-E245 HydrophobicContact CG-CB 4.28Å; L234-E245 HydrophobicContact CG-CG 4.38Å; T240-E245 HydrophobicContact CG2-CB 4.1Å; N241-E245 PolarHBondContact O-N 3.19Å; R242-E245 PolarHBondContact O-N 3.5Å; M243-E245 PolarHBondContact O-N 3.07Å; E245-M247 VanDerWaalsContact C-N 3.34Å; E245-N248 PolarHBondContact O-N 3.37Å; E245-L249 VanDerWaalsContact O-CB 3.26Å; E245-L249 WeakPolarHBondContact O-CB 3.34Å; E245-L249 PolarHBondContact O-N 3.43Å
246	S	98.5	Very high	96.1	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-39.2	178	-170.6	0	0	0	0	112.1	R242 M243 V244 F250	R242-S246 WeakPolarHBondContact O-CB 3.3Å; R242-S246 PolarHBondContact O-N 2.86Å; M243-S246 WeakPolarHBondContact O-CB 3.42Å; M243-S246 PolarHBondContact O-N 3Å; M243-S246 VanDerWaalsContact O-N 3.15Å; V244-S246 VanDerWaalsContact C-N 3.3Å; V244-S246 PolarHBondContact O-N 3.3Å; S246-F250 WeakPolarHBondContact O-CB 3.37Å; S246-F250 PolarHBondContact O-N 3.44Å
247	M	98.6	Very high	96.2	Very high	25 Å²	25	42.5 Å²	42.5	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-47.9	174.7	-76	-177.2	68.5	0	0	112	M243 V244 E245 L249 F250 D251 F287 K306 F307 L310	M243-M247 WeakPolarHBondContact O-CG 3.45Å; M243-M247 PolarHBondContact O-N 3.42Å; V244-M247 PolarHBondContact O-N 2.88Å; E245-M247 VanDerWaalsContact C-N 3.34Å; M247-L249 PolarHBondContact O-N 3.13Å; M247-F250 WeakPolarHBondContact O-CB 3.22Å; M247-F250 PolarHBondContact O-N 3.31Å; M247-F250 VanDerWaalsContact O-N 3.1Å; M247-D251 PolarHBondContact O-N 3.1Å; M247-F287 HydrophobicContact CE-CE1 4.47Å; M247-F287 HydrophobicContact SD-CE1 3.64Å; M247-F287 HydrophobicContact SD-CZ 3.76Å; M247-K306 HydrophobicContact CE-CB 3.82Å; M247-K306 HydrophobicContact SD-CB 4.38Å; M247-F307 HydrophobicContact CB-CE1 4.35Å; M247-F307 HydrophobicContact CB-CZ 4.34Å; M247-F307 HydrophobicContact CG-CD1 4.3Å; M247-F307 HydrophobicContact CG-CD2 4.24Å; M247-F307 HydrophobicContact CG-CE1 3.76Å; M247-F307 HydrophobicContact CG-CE2 3.68Å; M247-F307 HydrophobicContact CG-CZ 3.41Å; M247-F307 VanDerWaalsContact CG-CZ 3.41Å; M247-L310 HydrophobicContact CB-CD1 3.9Å; M247-L310 HydrophobicContact CE-CD1 3.91Å; M247-L310 HydrophobicContact CE-CD2 4.4Å; M247-L310 HydrophobicContact CE-CG 4.37Å; M247-L310 HydrophobicContact CG-CD1 4.24Å; M247-L310 WeakPolarHBondContact O-CD1 3.49Å
248	N	98	Very high	96.3	Very high	97 Å²	97	46.8 Å²	46.8	52%	0.519	26%	0.255	S	S	.	.	H	α-helix	trans	-58.9	-40.5	176.7	-70.4	-25	0	0	0	111.6	V244 E245 S252	V244-N248 PolarHBondContact O-N 2.87Å; V244-N248 PolarHBondContact O-ND2 3.49Å; E245-N248 PolarHBondContact O-N 3.37Å; N248-S252 PolarHBondContact O-N 2.93Å; N248-S252 VanDerWaalsContact O-N 3.13Å
249	L	97.7	Very high	96.5	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.073	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-42.6	175.5	-177.3	64	0	0	0	111.7	A41 W211 F223 E245 M247 S252 I253	A41-L249 HydrophobicContact CB-CD2 4.45Å; W211-L249 HydrophobicContact CH2-CD1 3.79Å; W211-L249 HydrophobicContact CH2-CD2 3.71Å; W211-L249 HydrophobicContact CH2-CG 4.15Å; W211-L249 HydrophobicContact CZ3-CD1 3.62Å; W211-L249 HydrophobicContact CZ3-CD2 4.31Å; W211-L249 HydrophobicContact CZ3-CG 4.26Å; F223-L249 HydrophobicContact CE2-CD2 4.16Å; F223-L249 HydrophobicContact CE2-CG 3.9Å; F223-L249 HydrophobicContact CZ-CB 4.08Å; F223-L249 HydrophobicContact CZ-CD2 3.88Å; F223-L249 HydrophobicContact CZ-CG 3.79Å; E245-L249 VanDerWaalsContact O-CB 3.26Å; E245-L249 WeakPolarHBondContact O-CB 3.34Å; E245-L249 PolarHBondContact O-N 3.43Å; M247-L249 PolarHBondContact O-N 3.13Å; L249-S252 PolarHBondContact O-N 3.27Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.48Å; L249-I253 PolarHBondContact O-N 3.26Å; L249-I253 VanDerWaalsContact O-N 3.1Å
250	F	98.3	Very high	96.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-48.2	176.5	-177.9	-106.1	0	0	0	111.5	F223 S246 M247 S252 I253 C254 M264 L266 F307 L310 I318	F223-F250 HydrophobicContact CB-CD2 3.97Å; F223-F250 HydrophobicContact CB-CE2 4.1Å; F223-F250 HydrophobicContact CD1-CB 4.21Å; F223-F250 AromaticContact CD1-CD2 3.53Å; F223-F250 HydrophobicContact CD1-CD2 3.53Å; F223-F250 HydrophobicContact CD1-CE2 4.36Å; F223-F250 HydrophobicContact CD1-CG 4.29Å; F223-F250 AromaticContact CD2-CD2 3.96Å; F223-F250 HydrophobicContact CD2-CD2 3.96Å; F223-F250 HydrophobicContact CE1-CB 3.7Å; F223-F250 AromaticContact CE1-CD2 3.94Å; F223-F250 HydrophobicContact CE1-CD2 3.94Å; F223-F250 HydrophobicContact CE1-CG 4.27Å; F223-F250 HydrophobicContact CE2-CB 4.26Å; F223-F250 HydrophobicContact CE2-CD2 4.31Å; F223-F250 AromaticContact CG-CD2 3.54Å; F223-F250 HydrophobicContact CG-CD2 3.54Å; F223-F250 HydrophobicContact CG-CE2 4.19Å; F223-F250 HydrophobicContact CZ-CB 3.72Å; F223-F250 HydrophobicContact CZ-CD2 4.3Å; S246-F250 WeakPolarHBondContact O-CB 3.37Å; S246-F250 PolarHBondContact O-N 3.44Å; M247-F250 WeakPolarHBondContact O-CB 3.22Å; M247-F250 PolarHBondContact O-N 3.31Å; M247-F250 VanDerWaalsContact O-N 3.1Å; F250-S252 VanDerWaalsContact C-N 3.27Å; F250-S252 PolarHBondContact O-N 2.83Å; F250-I253 PolarHBondContact O-N 3.18Å; F250-C254 HydrophobicContact CD1-CB 4.4Å; F250-C254 HydrophobicContact CE1-CB 4.02Å; F250-C254 HydrophobicContact CE2-CB 4.15Å; F250-C254 HydrophobicContact CZ-CB 3.91Å; F250-C254 WeakPolarHBondContact O-CB 3.1Å; F250-C254 PolarHBondContact O-N 3.26Å; F250-C254 PolarHBondContact O-SG 3.42Å; F250-M264 HydrophobicContact CE2-CG 4.07Å; F250-M264 HydrophobicContact CE2-SD 4.11Å; F250-M264 HydrophobicContact CZ-CG 4.27Å; F250-L266 HydrophobicContact CD2-CD1 4.28Å; F250-L266 HydrophobicContact CE2-CD1 4.03Å; F250-L266 HydrophobicContact CZ-CD1 4.48Å; F250-F307 HydrophobicContact CB-CD1 3.79Å; F250-F307 HydrophobicContact CB-CE1 3.81Å; F250-F307 HydrophobicContact CD1-CB 4.47Å; F250-F307 AromaticContact CD1-CD1 3.76Å; F250-F307 HydrophobicContact CD1-CD1 3.76Å; F250-F307 HydrophobicContact CD2-CD1 4.44Å; F250-F307 HydrophobicContact CE1-CB 4.45Å; F250-F307 HydrophobicContact CE1-CD1 4.45Å; F250-F307 WeakPolarHBondContact CE1-O 3.33Å; F250-F307 AromaticContact CG-CD1 3.73Å; F250-F307 HydrophobicContact CG-CD1 3.73Å; F250-F307 HydrophobicContact CG-CE1 4.25Å; F250-L310 HydrophobicContact CD1-CB 4.06Å; F250-L310 HydrophobicContact CD1-CD1 3.97Å; F250-L310 HydrophobicContact CE1-CB 4.38Å; F250-I318 HydrophobicContact CZ-CD1 4.17Å; F250-I318 HydrophobicContact CZ-CG2 4.23Å
251	D	98	Very high	96.1	Very high	42 Å²	42	42.3 Å²	42.3	23%	0.225	23%	0.227	C	C	.	.	H	α-helix	trans	-53.7	-44.9	176.6	177	48.2	0	0	0	111.7	M247 I253 N255 L310 R312	M247-D251 PolarHBondContact O-N 3.1Å; D251-I253 VanDerWaalsContact C-N 3.35Å; D251-I253 PolarHBondContact O-N 3Å; D251-N255 WeakPolarHBondContact O-CB 3.27Å; D251-N255 PolarHBondContact O-N 2.92Å; D251-N255 PolarHBondContact O-ND2 2.96Å; D251-N255 VanDerWaalsContact O-ND2 3.12Å; D251-N255 PolarHBondContact OD1-ND2 3.45Å; D251-L310 HydrophobicContact CB-CB 4.26Å; D251-L310 HydrophobicContact CB-CD1 4.34Å; D251-L310 HydrophobicContact CB-CD2 4.32Å; D251-R312 VanDerWaalsContact CG-NH2 3.31Å; D251-R312 IonicContact OD1-CZ 2.61Å; D251-R312 IonicContact OD1-NE 2.73Å; D251-R312 IonicContact OD1-NH2 2.98Å; D251-R312 PolarHBondContact OD1-NH2 3.37Å; D251-R312 IonicContact OD2-NH2 2.9Å; D251-R312 PolarHBondContact OD2-NH2 2.63Å; D251-R312 VanDerWaalsContact OD2-NH2 3.1Å
252	S	96.6	Very high	95.8	Very high	69 Å²	69	41.5 Å²	41.5	48%	0.483	22%	0.223	S	C	.	.	H	α-helix	trans	-64.1	-37.1	178	178.7	0	0	0	0	113.2	N248 L249 F250 N256	N248-S252 PolarHBondContact O-N 2.93Å; N248-S252 VanDerWaalsContact O-N 3.13Å; L249-S252 PolarHBondContact O-N 3.27Å; F250-S252 VanDerWaalsContact C-N 3.27Å; F250-S252 PolarHBondContact O-N 2.83Å; S252-N256 WeakPolarHBondContact O-CB 3.37Å; S252-N256 PolarHBondContact O-N 3.24Å
253	I	96.2	Very high	95.6	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-82	-48.4	-177.8	-67.7	-59.6	0	0	0	111.4	L39 W211 F215 I221 F223 L249 F250 D251 N255 N256 F259 M264	L39-I253 HydrophobicContact CD1-CD1 3.97Å; L39-I253 HydrophobicContact CD1-CG1 4.22Å; L39-I253 HydrophobicContact CD1-CG2 3.72Å; W211-I253 HydrophobicContact CE3-CD1 4.07Å; W211-I253 HydrophobicContact CZ3-CD1 4Å; W211-I253 HydrophobicContact CZ3-CG1 4.21Å; F215-I253 HydrophobicContact CZ-CD1 4.19Å; I221-I253 HydrophobicContact CD1-CG2 3.99Å; I221-I253 HydrophobicContact CG2-CG2 4.31Å; F223-I253 HydrophobicContact CD2-CB 4.44Å; F223-I253 HydrophobicContact CD2-CG2 4.32Å; F223-I253 HydrophobicContact CE2-CB 4.36Å; F223-I253 HydrophobicContact CE2-CG1 4.22Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.48Å; L249-I253 PolarHBondContact O-N 3.26Å; L249-I253 VanDerWaalsContact O-N 3.1Å; F250-I253 PolarHBondContact O-N 3.18Å; D251-I253 VanDerWaalsContact C-N 3.35Å; D251-I253 PolarHBondContact O-N 3Å; I253-N255 PolarHBondContact O-N 3.31Å; I253-N256 WeakPolarHBondContact O-CB 3.13Å; I253-N256 PolarHBondContact O-N 3.23Å; I253-N256 VanDerWaalsContact O-N 3.14Å; I253-F259 HydrophobicContact CD1-CE2 4.35Å; I253-F259 HydrophobicContact CG2-CD2 4.21Å; I253-F259 HydrophobicContact CG2-CE2 4.12Å; I253-M264 HydrophobicContact CG2-CE 4.33Å
254	C	96.2	Very high	95.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-31	-175.5	73.3	0	0	0	0	112	F250 M264 Q313 K316	F250-C254 HydrophobicContact CD1-CB 4.4Å; F250-C254 HydrophobicContact CE1-CB 4.02Å; F250-C254 HydrophobicContact CE2-CB 4.15Å; F250-C254 HydrophobicContact CZ-CB 3.91Å; F250-C254 WeakPolarHBondContact O-CB 3.1Å; F250-C254 PolarHBondContact O-N 3.26Å; F250-C254 PolarHBondContact O-SG 3.42Å; C254-M264 HydrophobicContact CB-CE 4.18Å; C254-Q313 PolarHBondContact O-NE2 3.46Å; C254-K316 PolarHBondContact O-NZ 3.01Å
255	N	96	Very high	95.4	Very high	33 Å²	33	39 Å²	39	18%	0.176	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6.4	178.2	-62.2	-56.5	0	0	0	114.2	D251 I253 L310 R312	D251-N255 WeakPolarHBondContact O-CB 3.27Å; D251-N255 PolarHBondContact O-N 2.92Å; D251-N255 PolarHBondContact O-ND2 2.96Å; D251-N255 VanDerWaalsContact O-ND2 3.12Å; D251-N255 PolarHBondContact OD1-ND2 3.45Å; I253-N255 PolarHBondContact O-N 3.31Å; N255-L310 PolarHBondContact ND2-O 3.44Å; N255-R312 PolarHBondContact ND2-NE 3.22Å; N255-R312 VanDerWaalsContact ND2-NE 3.17Å; N255-R312 PolarHBondContact ND2-NH2 3.35Å; N255-R312 WeakPolarHBondContact OD1-CB 3.43Å; N255-R312 PolarHBondContact OD1-N 3.5Å
256	N	94.1	Very high	95.5	Very high	39 Å²	39	38.3 Å²	38.3	21%	0.209	21%	0.207	C	C	.	.			trans	-71.1	136.8	179.3	-160.4	-52.8	0	0	0	111.9	S252 I253 W258 F259	S252-N256 WeakPolarHBondContact O-CB 3.37Å; S252-N256 PolarHBondContact O-N 3.24Å; I253-N256 WeakPolarHBondContact O-CB 3.13Å; I253-N256 PolarHBondContact O-N 3.23Å; I253-N256 VanDerWaalsContact O-N 3.14Å; N256-W258 VanDerWaalsContact C-N 3.26Å; N256-W258 PolarHBondContact O-N 2.99Å; N256-W258 WeakPolarHBondContact OD1-CB 3.45Å; N256-W258 PolarHBondContact OD1-N 3.48Å; N256-F259 HydrophobicContact CB-CD2 3.81Å; N256-F259 HydrophobicContact CB-CE2 4.44Å; N256-F259 PolarHBondContact O-N 3.34Å
257	S	93.5	Very high	95.5	Very high	98 Å²	98	38.2 Å²	38.2	69%	0.685	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-66.8	-23.2	179.1	57.1	0	0	0	0	114.1	F259 T260	S257-F259 PolarHBondContact O-N 3.46Å; S257-T260 PolarHBondContact O-OG1 3.01Å; S257-T260 VanDerWaalsContact O-OG1 3.04Å
258	W	93.3	Very high	95.5	Very high	136 Å²	136	37 Å²	37	52%	0.515	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-61.7	-21.2	170.7	-80.4	93.8	0	0	0	112.9	I212 F215 Q216 N256	I212-W258 HydrophobicContact CD1-CZ2 4.38Å; F215-W258 HydrophobicContact CB-CB 4.47Å; F215-W258 HydrophobicContact CB-CD2 4.2Å; F215-W258 HydrophobicContact CB-CE3 4.06Å; F215-W258 HydrophobicContact CB-CG 4.4Å; F215-W258 HydrophobicContact CD2-CB 3.85Å; F215-W258 HydrophobicContact CD2-CD2 4.37Å; F215-W258 AromaticContact CD2-CG 3.83Å; F215-W258 HydrophobicContact CD2-CG 3.83Å; Q216-W258 HydrophobicContact CG-CZ3 4.33Å; N256-W258 VanDerWaalsContact C-N 3.26Å; N256-W258 PolarHBondContact O-N 2.99Å; N256-W258 WeakPolarHBondContact OD1-CB 3.45Å; N256-W258 PolarHBondContact OD1-N 3.48Å
259	F	93.8	Very high	95.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-119.3	17.2	-170	-58	-44.5	0	0	0	113.5	L37 L39 F215 V218 I221 I253 N256 S257 E261 T262 K316	L37-F259 HydrophobicContact CD2-CE1 4.5Å; L37-F259 HydrophobicContact CD2-CZ 4.11Å; L39-F259 HydrophobicContact CD1-CE2 4.45Å; F215-F259 HydrophobicContact CB-CE1 4.11Å; F215-F259 HydrophobicContact CB-CZ 4.2Å; F215-F259 HydrophobicContact CD1-CE1 4.06Å; F215-F259 HydrophobicContact CD1-CE2 4.32Å; F215-F259 AromaticContact CD1-CZ 3.38Å; F215-F259 HydrophobicContact CD1-CZ 3.38Å; F215-F259 HydrophobicContact CD2-CE1 4.1Å; F215-F259 AromaticContact CD2-CE2 3.93Å; F215-F259 HydrophobicContact CD2-CE2 3.93Å; F215-F259 AromaticContact CD2-CZ 3.5Å; F215-F259 HydrophobicContact CD2-CZ 3.5Å; F215-F259 VanDerWaalsContact CD2-CZ 3.5Å; F215-F259 HydrophobicContact CE1-CE1 4.49Å; F215-F259 AromaticContact CE1-CE2 3.98Å; F215-F259 HydrophobicContact CE1-CE2 3.98Å; F215-F259 AromaticContact CE1-CZ 3.42Å; F215-F259 HydrophobicContact CE1-CZ 3.42Å; F215-F259 VanDerWaalsContact CE1-CZ 3.42Å; F215-F259 AromaticContact CE2-CE2 3.57Å; F215-F259 HydrophobicContact CE2-CE2 3.57Å; F215-F259 AromaticContact CE2-CZ 3.54Å; F215-F259 HydrophobicContact CE2-CZ 3.54Å; F215-F259 AromaticContact CG-CE1 3.84Å; F215-F259 HydrophobicContact CG-CE1 3.84Å; F215-F259 HydrophobicContact CG-CE2 4.3Å; F215-F259 AromaticContact CG-CZ 3.42Å; F215-F259 HydrophobicContact CG-CZ 3.42Å; F215-F259 VanDerWaalsContact CG-CZ 3.42Å; F215-F259 AromaticContact CZ-CE2 3.59Å; F215-F259 HydrophobicContact CZ-CE2 3.59Å; F215-F259 AromaticContact CZ-CZ 3.5Å; F215-F259 HydrophobicContact CZ-CZ 3.5Å; F215-F259 VanDerWaalsContact CZ-CZ 3.5Å; V218-F259 HydrophobicContact CB-CE1 4.39Å; V218-F259 HydrophobicContact CG2-CE1 4.26Å; I221-F259 HydrophobicContact CD1-CB 3.97Å; I221-F259 HydrophobicContact CD1-CD1 3.59Å; I221-F259 HydrophobicContact CD1-CD2 3.34Å; I221-F259 HydrophobicContact CD1-CE1 3.75Å; I221-F259 HydrophobicContact CD1-CE2 3.51Å; I221-F259 HydrophobicContact CD1-CG 3.36Å; I221-F259 HydrophobicContact CD1-CZ 3.67Å; I221-F259 HydrophobicContact CG1-CD1 4.5Å; I221-F259 HydrophobicContact CG1-CE1 4.42Å; I221-F259 HydrophobicContact CG1-CZ 4.46Å; I253-F259 HydrophobicContact CD1-CE2 4.35Å; I253-F259 HydrophobicContact CG2-CD2 4.21Å; I253-F259 HydrophobicContact CG2-CE2 4.12Å; N256-F259 HydrophobicContact CB-CD2 3.81Å; N256-F259 HydrophobicContact CB-CE2 4.44Å; N256-F259 PolarHBondContact O-N 3.34Å; S257-F259 PolarHBondContact O-N 3.46Å; F259-E261 VanDerWaalsContact C-N 3.28Å; F259-E261 PolarHBondContact O-N 3.04Å; F259-T262 HydrophobicContact CD1-CG2 4.44Å; F259-T262 WeakPolarHBondContact O-CB 3.49Å; F259-T262 PolarHBondContact O-N 3.4Å; F259-K316 VanDerWaalsContact O-CE 3.28Å; F259-K316 WeakPolarHBondContact O-CE 3.47Å; F259-K316 PolarHBondContact O-NZ 3.05Å
260	T	91	Very high	95.5	Very high	61 Å²	61	33 Å²	33	37%	0.374	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-47	-178.1	-52.4	0	0	0	0	111.8	S257	S257-T260 PolarHBondContact O-OG1 3.01Å; S257-T260 VanDerWaalsContact O-OG1 3.04Å
261	E	88.2	Confident	95.5	Very high	147 Å²	147	35.9 Å²	35.9	69%	0.687	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	8.7	179.6	-59.3	-55.6	137.7	0	0	113	F259 R345	F259-E261 VanDerWaalsContact C-N 3.28Å; F259-E261 PolarHBondContact O-N 3.04Å; E261-R345 PolarHBondContact O-NH1 2.77Å; E261-R345 VanDerWaalsContact O-NH1 3.11Å; E261-R345 PolarHBondContact O-NH2 3.08Å
262	T	92.5	Very high	95.5	Very high	12 Å²	12	35.6 Å²	35.6	7%	0.074	19%	0.187	C	C	.	.	S	Bend	trans	-94	129.4	-176.2	-57.7	0	0	0	0	110.4	V218 I221 F259	V218-T262 HydrophobicContact CB-CG2 4.34Å; V218-T262 HydrophobicContact CG1-CG2 3.77Å; V218-T262 PolarHBondContact O-OG1 2.84Å; I221-T262 HydrophobicContact CD1-CG2 4.09Å; I221-T262 HydrophobicContact CG1-CG2 3.94Å; F259-T262 HydrophobicContact CD1-CG2 4.44Å; F259-T262 WeakPolarHBondContact O-CB 3.49Å; F259-T262 PolarHBondContact O-N 3.4Å
263	S	92.9	Very high	95.5	Very high	18 Å²	18	33.9 Å²	33.9	13%	0.126	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137	175.2	-58.2	0	0	0	0	110.3	T219 A220 I221 R345	T219-S263 PolarHBondContact O-N 2.92Å; A220-S263 VanDerWaalsContact CA-O 3.29Å; A220-S263 WeakPolarHBondContact CA-O 3.43Å; A220-S263 WeakPolarHBondContact CB-O 3.42Å; I221-S263 PolarHBondContact N-O 2.93Å; S263-R345 VanDerWaalsContact OG-CD 3.29Å; S263-R345 WeakPolarHBondContact OG-CD 3.33Å; S263-R345 PolarHBondContact OG-NH1 2.75Å
264	M	95.9	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.9	-177	-169.6	62.4	58.5	0	0	110.4	I221 F223 F250 I253 C254 K316 I318 Y319	I221-M264 HydrophobicContact CB-CE 3.98Å; I221-M264 HydrophobicContact CB-SD 3.8Å; I221-M264 HydrophobicContact CD1-CE 3.71Å; I221-M264 HydrophobicContact CG1-CE 4.45Å; I221-M264 HydrophobicContact CG2-CE 4.2Å; I221-M264 HydrophobicContact CG2-SD 3.67Å; F223-M264 HydrophobicContact CB-SD 4.4Å; F250-M264 HydrophobicContact CE2-CG 4.07Å; F250-M264 HydrophobicContact CE2-SD 4.11Å; F250-M264 HydrophobicContact CZ-CG 4.27Å; I253-M264 HydrophobicContact CG2-CE 4.33Å; C254-M264 HydrophobicContact CB-CE 4.18Å; M264-K316 HydrophobicContact CB-CD 4.3Å; M264-K316 HydrophobicContact CB-CG 4.48Å; M264-I318 HydrophobicContact CB-CD1 3.63Å; M264-I318 HydrophobicContact CG-CD1 3.53Å; M264-Y319 PolarHBondContact O-N 3.3Å
265	L	97.1	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120	177.3	-54.3	152.8	0	0	0	107.2	A220 I221 I222 F223 F267 Y319 V338	A220-L265 HydrophobicContact CB-CD1 3.85Å; I221-L265 WeakPolarHBondContact O-CB 3.48Å; I221-L265 PolarHBondContact O-N 3.06Å; I222-L265 WeakPolarHBondContact CA-O 3.4Å; I222-L265 HydrophobicContact CD1-CD1 4.31Å; I222-L265 HydrophobicContact CG1-CB 4.16Å; I222-L265 HydrophobicContact CG1-CD1 3.51Å; I222-L265 HydrophobicContact CG1-CG 4.48Å; F223-L265 PolarHBondContact N-O 3.3Å; L265-F267 HydrophobicContact CB-CE1 4.18Å; L265-Y319 CarbonylContact C-O 3.56Å; L265-Y319 WeakPolarHBondContact CA-O 3.44Å; L265-Y319 HydrophobicContact CD2-CD2 4.3Å; L265-Y319 HydrophobicContact CD2-CG 4.42Å; L265-V338 HydrophobicContact CD1-CB 4.33Å; L265-V338 HydrophobicContact CD1-CG1 3.5Å; L265-V338 VanDerWaalsContact CD1-CG1 3.5Å; L265-V338 HydrophobicContact CD1-CG2 4.01Å; L265-V338 HydrophobicContact CD2-CB 4.37Å; L265-V338 HydrophobicContact CD2-CG1 4.25Å; L265-V338 HydrophobicContact CD2-CG2 3.83Å; L265-V338 HydrophobicContact CG-CG2 4.43Å
266	L	98.3	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.4	180	176.7	63.5	0	0	0	109.7	F223 V225 F250 L268 F307 I318 Y319 T320 H321	F223-L266 HydrophobicContact CD1-CD1 4.2Å; V225-L266 HydrophobicContact CG2-CD1 3.69Å; F250-L266 HydrophobicContact CD2-CD1 4.28Å; F250-L266 HydrophobicContact CE2-CD1 4.03Å; F250-L266 HydrophobicContact CZ-CD1 4.48Å; L266-L268 HydrophobicContact CD1-CD2 4.22Å; L266-L268 HydrophobicContact CD2-CD2 4.12Å; L266-L268 HydrophobicContact CG-CD2 4.01Å; L266-L268 HydrophobicContact CG-CG 4.33Å; L266-F307 HydrophobicContact CD1-CD1 4.24Å; L266-F307 HydrophobicContact CD1-CG 4.48Å; L266-F307 HydrophobicContact CD2-CB 3.53Å; L266-F307 HydrophobicContact CD2-CG 4.2Å; L266-I318 HydrophobicContact CB-CG2 3.68Å; L266-I318 HydrophobicContact CD2-CG2 4.24Å; L266-Y319 PolarHBondContact N-O 3.24Å; L266-T320 HydrophobicContact CB-CG2 4.31Å; L266-T320 HydrophobicContact CD2-CG2 3.98Å; L266-T320 HydrophobicContact CG-CG2 4.15Å; L266-T320 CarbonylContact O-C 3.5Å; L266-T320 WeakPolarHBondContact O-CA 3.21Å; L266-H321 PolarHBondContact O-N 3.09Å
267	F	98.7	Very high	95.9	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	106.4	177.7	-77.7	18.6	0	0	0	109.5	I49 I222 F223 V224 V225 L265 N269 H321 T323 V334 V338	I49-F267 HydrophobicContact CD1-CD2 3.78Å; I49-F267 HydrophobicContact CD1-CE2 4.36Å; I222-F267 HydrophobicContact CD1-CZ 4.42Å; I222-F267 HydrophobicContact CG2-CB 4.42Å; I222-F267 HydrophobicContact CG2-CD1 4.02Å; I222-F267 HydrophobicContact CG2-CD2 3.59Å; I222-F267 HydrophobicContact CG2-CE1 4.1Å; I222-F267 HydrophobicContact CG2-CE2 3.67Å; I222-F267 HydrophobicContact CG2-CG 3.75Å; I222-F267 HydrophobicContact CG2-CZ 3.91Å; F223-F267 PolarHBondContact O-N 2.92Å; V224-F267 HydrophobicContact CG1-CB 4.47Å; V224-F267 HydrophobicContact CG2-CB 4.38Å; V225-F267 PolarHBondContact N-O 3.42Å; L265-F267 HydrophobicContact CB-CE1 4.18Å; F267-N269 PolarHBondContact O-N 2.85Å; F267-H321 WeakPolarHBondContact CA-O 3.12Å; F267-H321 HydrophobicContact CD1-CB 4.25Å; F267-H321 HydrophobicContact CE1-CB 4.42Å; F267-T323 HydrophobicContact CB-CG2 4.32Å; F267-T323 HydrophobicContact CD2-CG2 3.89Å; F267-T323 HydrophobicContact CE2-CG2 4.36Å; F267-T323 HydrophobicContact CG-CG2 3.99Å; F267-V334 HydrophobicContact CD1-CG1 4.32Å; F267-V334 HydrophobicContact CE1-CG1 3.53Å; F267-V334 HydrophobicContact CE2-CG1 3.87Å; F267-V334 HydrophobicContact CZ-CG1 3.29Å; F267-V338 HydrophobicContact CE1-CG2 3.94Å; F267-V338 HydrophobicContact CZ-CG2 3.79Å
268	L	98.8	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	84.5	171.7	-59.7	-178.7	0	0	0	108.4	V225 L227 L266 Q304 F307 T320 H321 F322 T323	V225-L268 HydrophobicContact CB-CD2 4Å; V225-L268 HydrophobicContact CG1-CD2 4.3Å; V225-L268 HydrophobicContact CG2-CD2 4.21Å; L227-L268 HydrophobicContact CD1-CB 3.86Å; L227-L268 HydrophobicContact CD2-CB 3.98Å; L227-L268 HydrophobicContact CD2-CD2 4.25Å; L227-L268 HydrophobicContact CD2-CG 4.47Å; L227-L268 HydrophobicContact CG-CB 3.88Å; L266-L268 HydrophobicContact CD1-CD2 4.22Å; L266-L268 HydrophobicContact CD2-CD2 4.12Å; L266-L268 HydrophobicContact CG-CD2 4.01Å; L266-L268 HydrophobicContact CG-CG 4.33Å; L268-Q304 HydrophobicContact CD1-CB 3.7Å; L268-Q304 HydrophobicContact CD1-CG 4.36Å; L268-F307 HydrophobicContact CD2-CD2 4.41Å; L268-T320 HydrophobicContact CD1-CG2 3.64Å; L268-T320 HydrophobicContact CG-CG2 3.88Å; L268-H321 PolarHBondContact N-O 3.5Å; L268-F322 HydrophobicContact CB-CD1 4.03Å; L268-F322 HydrophobicContact CB-CE1 4.24Å; L268-F322 HydrophobicContact CB-CG 4.45Å; L268-F322 HydrophobicContact CD1-CD1 4.27Å; L268-F322 HydrophobicContact CD1-CE1 3.73Å; L268-F322 HydrophobicContact CD1-CE2 4.12Å; L268-F322 HydrophobicContact CD1-CZ 3.65Å; L268-F322 CarbonylContact O-C 3.57Å; L268-F322 WeakPolarHBondContact O-CA 3.4Å; L268-T323 PolarHBondContact O-N 3.41Å
269	N	98.7	Very high	96.3	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	169.8	-169.3	-170.3	36.1	0	0	0	113.3	S44 V224 V225 L227 F267 R271 T323 A325	S44-N269 PolarHBondContact O-ND2 3.44Å; V224-N269 HydrophobicContact CG1-CB 3.76Å; V225-N269 WeakPolarHBondContact O-CA 3.42Å; V225-N269 WeakPolarHBondContact O-CB 3.41Å; V225-N269 PolarHBondContact O-N 3.28Å; L227-N269 WeakPolarHBondContact CB-O 3.47Å; L227-N269 PolarHBondContact N-O 2.84Å; F267-N269 PolarHBondContact O-N 2.85Å; N269-R271 PolarHBondContact O-N 3.32Å; N269-T323 CarbonylContact C-O 3.58Å; N269-T323 VanDerWaalsContact CA-O 3.29Å; N269-T323 WeakPolarHBondContact CA-O 3.39Å; N269-T323 WeakPolarHBondContact CA-OG1 3.48Å; N269-T323 VanDerWaalsContact CB-OG1 3.31Å; N269-T323 WeakPolarHBondContact CB-OG1 3.3Å; N269-T323 PolarHBondContact N-OG1 3.17Å; N269-T323 PolarHBondContact OD1-O 3.07Å; N269-T323 PolarHBondContact OD1-OG1 3.28Å; N269-A325 PolarHBondContact OD1-N 3.19Å
270	K	98.2	Very high	96.3	Very high	23 Å²	23	45.3 Å²	45.3	10%	0.1	21%	0.212	C	C	.	.			trans	59.3	36.5	-176.2	-51.5	-175.9	-175.3	177.3	0	112	E43 D150 A226 S228 E229 D272 L273 F274 T323	E43-K270 WeakPolarHBondContact O-CE 3.42Å; E43-K270 PolarHBondContact O-NZ 2.88Å; D150-K270 WeakPolarHBondContact OD2-CD 3.45Å; D150-K270 WeakPolarHBondContact OD2-CE 3.37Å; D150-K270 IonicContact OD2-NZ 3.77Å; D150-K270 PolarHBondContact OD2-NZ 2.93Å; A226-K270 HydrophobicContact CB-CD 3.77Å; A226-K270 HydrophobicContact CB-CG 4.37Å; S228-K270 VanDerWaalsContact OG-CD 3.29Å; S228-K270 WeakPolarHBondContact OG-CD 3.37Å; E229-K270 IonicContact OE1-NZ 2.71Å; E229-K270 PolarHBondContact OE1-NZ 3.22Å; K270-D272 WeakPolarHBondContact CA-OD1 3.33Å; K270-D272 PolarHBondContact O-N 3.14Å; K270-L273 HydrophobicContact CB-CB 4.46Å; K270-L273 HydrophobicContact CB-CD1 4.37Å; K270-L273 HydrophobicContact CD-CD1 4.32Å; K270-L273 PolarHBondContact O-N 3.48Å; K270-F274 WeakPolarHBondContact O-CB 3.37Å; K270-F274 PolarHBondContact O-N 3.11Å; K270-T323 PolarHBondContact N-O 2.96Å; K270-T323 VanDerWaalsContact N-O 3.12Å
271	R	97.7	Very high	96.6	Very high	61 Å²	61	42.6 Å²	42.6	23%	0.23	20%	0.196	C	C	.	.	H	α-helix	trans	-50.9	-44.1	174.6	160.4	173.6	72.2	-148.4	-3.9	111.7	N269 L273 F274 E275 Y296 F322 T323 N330	N269-R271 PolarHBondContact O-N 3.32Å; R271-L273 VanDerWaalsContact C-N 3.32Å; R271-L273 PolarHBondContact O-N 2.94Å; R271-F274 PolarHBondContact O-N 3.43Å; R271-E275 VanDerWaalsContact O-CB 3.28Å; R271-E275 WeakPolarHBondContact O-CB 3.45Å; R271-E275 PolarHBondContact O-N 2.91Å; R271-Y296 HydrophobicContact CB-CE2 4.43Å; R271-Y296 VanDerWaalsContact CD-CZ 3.49Å; R271-Y296 WeakPolarHBondContact CD-OH 2.98Å; R271-Y296 HydrophobicContact CG-CE2 3.59Å; R271-F322 PolarHBondContact NH1-O 3.35Å; R271-F322 VanDerWaalsContact NH1-O 3.15Å; R271-T323 WeakPolarHBondContact CB-O 3.41Å; R271-T323 PolarHBondContact N-O 2.84Å; R271-T323 VanDerWaalsContact N-O 3.14Å; R271-N330 PolarHBondContact NH2-ND2 3.32Å
272	D	97.2	Very high	97	Very high	35 Å²	35	37.9 Å²	37.9	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-45.7	-178.9	58.9	-41.6	0	0	0	112.1	R176 K270 Q276	R176-D272 IonicContact NH1-OD2 3.26Å; R176-D272 IonicContact NH2-OD2 3.68Å; R176-D272 PolarHBondContact NH2-OD2 2.92Å; K270-D272 WeakPolarHBondContact CA-OD1 3.33Å; K270-D272 PolarHBondContact O-N 3.14Å; D272-Q276 WeakPolarHBondContact O-CG 3.44Å; D272-Q276 PolarHBondContact O-N 2.72Å; D272-Q276 PolarHBondContact O-NE2 2.91Å
273	L	97.7	Very high	97.3	Very high	33 Å²	33	37.3 Å²	37.3	17%	0.173	17%	0.174	C	C	.	.	H	α-helix	trans	-74.8	-37.2	179.1	-59.7	-179.7	0	0	0	111.9	D150 K270 R271 K277	D150-L273 HydrophobicContact CB-CD1 3.63Å; K270-L273 HydrophobicContact CB-CB 4.46Å; K270-L273 HydrophobicContact CB-CD1 4.37Å; K270-L273 HydrophobicContact CD-CD1 4.32Å; K270-L273 PolarHBondContact O-N 3.48Å; R271-L273 VanDerWaalsContact C-N 3.32Å; R271-L273 PolarHBondContact O-N 2.94Å; L273-K277 WeakPolarHBondContact O-CB 3.43Å; L273-K277 PolarHBondContact O-N 3.14Å
274	F	98.4	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-46.7	176.9	174.8	-108	0	0	0	111.9	L227 Y230 K270 R271 Q276 K277 I278 Y296 A299 I303	L227-F274 HydrophobicContact CB-CB 3.62Å; L227-F274 HydrophobicContact CB-CD1 4.21Å; L227-F274 HydrophobicContact CB-CD2 4.04Å; L227-F274 HydrophobicContact CB-CG 3.69Å; L227-F274 HydrophobicContact CD1-CD1 4.18Å; L227-F274 HydrophobicContact CD1-CG 4.46Å; L227-F274 WeakPolarHBondContact O-CD2 3.43Å; Y230-F274 AromaticContact CD1-CD2 3.8Å; Y230-F274 HydrophobicContact CD1-CD2 3.8Å; Y230-F274 AromaticContact CD1-CE2 3.83Å; Y230-F274 HydrophobicContact CD1-CE2 3.83Å; Y230-F274 AromaticContact CE1-CD2 3.64Å; Y230-F274 HydrophobicContact CE1-CD2 3.64Å; Y230-F274 AromaticContact CE1-CE2 3.74Å; Y230-F274 HydrophobicContact CE1-CE2 3.74Å; K270-F274 WeakPolarHBondContact O-CB 3.37Å; K270-F274 PolarHBondContact O-N 3.11Å; R271-F274 PolarHBondContact O-N 3.43Å; F274-Q276 VanDerWaalsContact C-N 3.26Å; F274-Q276 PolarHBondContact O-N 3.39Å; F274-K277 PolarHBondContact O-N 3.33Å; F274-K277 VanDerWaalsContact O-N 3.14Å; F274-I278 HydrophobicContact CE2-CB 4.32Å; F274-I278 HydrophobicContact CE2-CD1 3.97Å; F274-I278 HydrophobicContact CE2-CG1 4.33Å; F274-I278 HydrophobicContact CZ-CB 4.34Å; F274-I278 HydrophobicContact CZ-CD1 4.1Å; F274-I278 HydrophobicContact CZ-CG1 4.14Å; F274-I278 WeakPolarHBondContact O-CB 3.46Å; F274-I278 PolarHBondContact O-N 3.31Å; F274-Y296 AromaticContact CD1-CD2 3.65Å; F274-Y296 HydrophobicContact CD1-CD2 3.65Å; F274-Y296 AromaticContact CD1-CE2 3.99Å; F274-Y296 HydrophobicContact CD1-CE2 3.99Å; F274-Y296 AromaticContact CE1-CD2 3.89Å; F274-Y296 HydrophobicContact CE1-CD2 3.89Å; F274-Y296 HydrophobicContact CE1-CE2 4.37Å; F274-A299 HydrophobicContact CE1-CB 4.33Å; F274-A299 HydrophobicContact CZ-CB 3.68Å; F274-I303 HydrophobicContact CE2-CD1 3.82Å; F274-I303 HydrophobicContact CZ-CD1 3.82Å
275	E	98	Very high	97.6	Very high	79 Å²	79	42.6 Å²	42.6	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-57.9	-38	178.7	178.8	167.2	-145.9	0	0	112.1	R271 Y279 Y296	R271-E275 VanDerWaalsContact O-CB 3.28Å; R271-E275 WeakPolarHBondContact O-CB 3.45Å; R271-E275 PolarHBondContact O-N 2.91Å; E275-Y279 WeakPolarHBondContact O-CD2 3.25Å; E275-Y279 WeakPolarHBondContact O-CE2 3.17Å; E275-Y296 HydrophobicContact CB-CD2 3.86Å; E275-Y296 HydrophobicContact CB-CG 4.1Å; E275-Y296 HydrophobicContact CG-CD2 4.35Å; E275-Y296 HydrophobicContact CG-CG 4.08Å
276	Q	96.4	Very high	97.6	Very high	133 Å²	133	43.2 Å²	43.2	62%	0.621	21%	0.207	S	C	*	.	H	α-helix	trans	-74	-41.8	174.9	-66.4	171.7	28.4	0	0	112.5	D272 F274	D272-Q276 WeakPolarHBondContact O-CG 3.44Å; D272-Q276 PolarHBondContact O-N 2.72Å; D272-Q276 PolarHBondContact O-NE2 2.91Å; F274-Q276 VanDerWaalsContact C-N 3.26Å; F274-Q276 PolarHBondContact O-N 3.39Å
277	K	97.2	Very high	97.6	Very high	50 Å²	50	43.6 Å²	43.6	22%	0.217	21%	0.208	C	C	.	.	H	α-helix	trans	-73.5	-36.3	-172.2	-175.7	-173.2	-84.3	-163.5	0	113.1	S228 Y230 D231 L273 F274 Y279 H280 S281	S228-K277 WeakPolarHBondContact O-CE 3.49Å; S228-K277 PolarHBondContact O-NZ 3.06Å; Y230-K277 HydrophobicContact CE1-CD 3.73Å; Y230-K277 HydrophobicContact CE1-CG 4.25Å; D231-K277 WeakPolarHBondContact OD1-CD 3.17Å; D231-K277 IonicContact OD1-NZ 3.06Å; D231-K277 PolarHBondContact OD1-NZ 3.16Å; D231-K277 IonicContact OD2-NZ 3.78Å; L273-K277 WeakPolarHBondContact O-CB 3.43Å; L273-K277 PolarHBondContact O-N 3.14Å; F274-K277 PolarHBondContact O-N 3.33Å; F274-K277 VanDerWaalsContact O-N 3.14Å; K277-Y279 PolarHBondContact O-N 2.95Å; K277-H280 PolarHBondContact O-N 3.11Å; K277-S281 PolarHBondContact O-N 2.77Å; K277-S281 VanDerWaalsContact O-N 3.08Å
278	I	98	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.5	-170.1	-167.4	60	0	0	0	113.3	Y230 F274 H280 L283 N294 A299	Y230-I278 HydrophobicContact CE2-CD1 4.29Å; Y230-I278 WeakPolarHBondContact OH-CA 3.49Å; F274-I278 HydrophobicContact CE2-CB 4.32Å; F274-I278 HydrophobicContact CE2-CD1 3.97Å; F274-I278 HydrophobicContact CE2-CG1 4.33Å; F274-I278 HydrophobicContact CZ-CB 4.34Å; F274-I278 HydrophobicContact CZ-CD1 4.1Å; F274-I278 HydrophobicContact CZ-CG1 4.14Å; F274-I278 WeakPolarHBondContact O-CB 3.46Å; F274-I278 PolarHBondContact O-N 3.31Å; I278-H280 PolarHBondContact O-N 3.15Å; I278-H280 VanDerWaalsContact O-N 3.14Å; I278-L283 HydrophobicContact CD1-CB 4.05Å; I278-N294 HydrophobicContact CD1-CB 4.47Å; I278-N294 HydrophobicContact CG1-CB 4.21Å; I278-N294 WeakPolarHBondContact O-CB 3.28Å; I278-A299 HydrophobicContact CD1-CB 3.88Å; I278-A299 HydrophobicContact CG1-CB 3.81Å
279	Y	96.8	Very high	97.5	Very high	128 Å²	128	53.1 Å²	53.1	50%	0.502	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.5	177.5	-67.1	-75.6	0	0	0	114.6	E275 K277 N295	E275-Y279 WeakPolarHBondContact O-CD2 3.25Å; E275-Y279 WeakPolarHBondContact O-CE2 3.17Å; K277-Y279 PolarHBondContact O-N 2.95Å; Y279-N295 HydrophobicContact CE1-CB 4.34Å
280	H	95.2	Very high	97.4	Very high	163 Å²	163	53.8 Å²	53.8	76%	0.755	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-9.8	-172.7	-51.4	-42.3	0	0	0	113.6	K277 I278	K277-H280 PolarHBondContact O-N 3.11Å; I278-H280 PolarHBondContact O-N 3.15Å; I278-H280 VanDerWaalsContact O-N 3.14Å
281	S	96.5	Very high	97.4	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.035	30%	0.301	C	S	.	.	S	Bend	trans	-133.8	107.2	177.4	-165.8	0	0	0	0	108.1	R144 Y230 D231 K277 I285	R144-S281 PolarHBondContact NH1-OG 3.48Å; Y230-S281 VanDerWaalsContact CE2-O 3.31Å; Y230-S281 WeakPolarHBondContact CE2-O 3.46Å; Y230-S281 WeakPolarHBondContact OH-CB 3.4Å; Y230-S281 PolarHBondContact OH-O 3.3Å; D231-S281 WeakPolarHBondContact CB-OG 3.28Å; D231-S281 WeakPolarHBondContact OD2-CB 3.28Å; D231-S281 PolarHBondContact OD2-OG 2.98Å; K277-S281 PolarHBondContact O-N 2.77Å; K277-S281 VanDerWaalsContact O-N 3.08Å; S281-I285 WeakPolarHBondContact OG-CD1 3.42Å
282	P	97.1	Very high	97.3	Very high	47 Å²	47	59.2 Å²	59.2	31%	0.305	30%	0.304	S	S	.	.			trans	-68.6	144.4	-169.5	27.3	-35.5	0	0	0	112.3	T284 I285 N294	P282-T284 PolarHBondContact O-N 3.19Å; P282-T284 VanDerWaalsContact O-N 3.12Å; P282-I285 HydrophobicContact CG-CD1 4.27Å; P282-I285 HydrophobicContact CG-CG1 4.28Å; P282-I285 WeakPolarHBondContact O-CG1 3.37Å; P282-I285 PolarHBondContact O-N 2.92Å; P282-N294 WeakPolarHBondContact CA-OD1 3.5Å
283	L	98.3	Very high	97.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24	179.7	-171.6	60.5	0	0	0	112.6	Y230 I278 I285 C286 F287 Y290 N294 A299 Y302 I303	Y230-L283 HydrophobicContact CD2-CD1 3.96Å; Y230-L283 HydrophobicContact CG-CD1 4.15Å; I278-L283 HydrophobicContact CD1-CB 4.05Å; L283-I285 PolarHBondContact O-N 2.64Å; L283-C286 PolarHBondContact O-N 3.19Å; L283-F287 HydrophobicContact CD1-CD2 3.67Å; L283-F287 HydrophobicContact CD1-CE2 4.01Å; L283-F287 HydrophobicContact CD2-CD2 4.24Å; L283-F287 HydrophobicContact CG-CD2 3.76Å; L283-F287 PolarHBondContact O-N 3.34Å; L283-Y290 HydrophobicContact CB-CD1 3.71Å; L283-Y290 HydrophobicContact CB-CE1 3.97Å; L283-Y290 HydrophobicContact CB-CG 4.33Å; L283-Y290 HydrophobicContact CD2-CD1 3.83Å; L283-Y290 HydrophobicContact CD2-CD2 3.89Å; L283-Y290 HydrophobicContact CD2-CE1 3.89Å; L283-Y290 HydrophobicContact CD2-CE2 3.98Å; L283-Y290 HydrophobicContact CD2-CG 3.8Å; L283-Y290 HydrophobicContact CG-CD1 4.17Å; L283-Y290 HydrophobicContact CG-CE1 4.5Å; L283-Y290 HydrophobicContact CG-CG 4.31Å; L283-N294 PolarHBondContact N-OD1 2.91Å; L283-A299 HydrophobicContact CD2-CB 3.92Å; L283-Y302 HydrophobicContact CD2-CD1 3.82Å; L283-Y302 HydrophobicContact CD2-CE1 4.49Å; L283-Y302 HydrophobicContact CD2-CG 4.41Å; L283-I303 HydrophobicContact CD1-CD1 3.9Å; L283-I303 HydrophobicContact CD1-CG1 4.17Å; L283-I303 HydrophobicContact CD2-CG1 4.45Å
284	T	98.1	Very high	97.3	Very high	56 Å²	56	64.6 Å²	64.6	34%	0.344	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-61.1	-13.6	178.4	53.1	0	0	0	0	114.7	P282 C286 F287 P288 Y290	P282-T284 PolarHBondContact O-N 3.19Å; P282-T284 VanDerWaalsContact O-N 3.12Å; T284-C286 VanDerWaalsContact C-N 3.29Å; T284-C286 PolarHBondContact O-N 2.96Å; T284-F287 WeakPolarHBondContact CA-O 3.26Å; T284-P288 WeakPolarHBondContact O-CA 3.46Å; T284-Y290 WeakPolarHBondContact CG2-O 3.43Å
285	I	96.7	Very high	97.2	Very high	73 Å²	73	65.6 Å²	65.6	37%	0.374	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-60.5	-40.3	169.3	-66.7	169.3	0	0	0	111.2	R144 D231 S281 P282 L283	R144-I285 VanDerWaalsContact NH1-CD1 3.32Å; D231-I285 HydrophobicContact CB-CD1 4.04Å; D231-I285 HydrophobicContact CB-CG2 4.24Å; S281-I285 WeakPolarHBondContact OG-CD1 3.42Å; P282-I285 HydrophobicContact CG-CD1 4.27Å; P282-I285 HydrophobicContact CG-CG1 4.28Å; P282-I285 WeakPolarHBondContact O-CG1 3.37Å; P282-I285 PolarHBondContact O-N 2.92Å; L283-I285 PolarHBondContact O-N 2.64Å
286	C	97.9	Very high	97.2	Very high	13 Å²	13	63.4 Å²	63.4	9%	0.088	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-36.6	177.3	-174.5	0	0	0	0	112.3	Y230 N241 L283 T284 P288	Y230-C286 WeakPolarHBondContact O-CB 3.36Å; N241-C286 PolarHBondContact OD1-SG 3.37Å; L283-C286 PolarHBondContact O-N 3.19Å; T284-C286 VanDerWaalsContact C-N 3.29Å; T284-C286 PolarHBondContact O-N 2.96Å; C286-P288 WeakPolarHBondContact O-CD 3.12Å
287	F	98.1	Very high	97.2	Very high	9 Å²	9	62.7 Å²	62.7	4%	0.039	32%	0.319	C	S	.	.			trans	-125.3	78.9	-173.2	-58	-76.7	0	0	0	110.2	M243 M247 L283 T284 E289 Y290 Y302 I303 K306	M243-F287 HydrophobicContact CG-CE2 4.09Å; M243-F287 HydrophobicContact CG-CZ 3.9Å; M247-F287 HydrophobicContact CE-CE1 4.47Å; M247-F287 HydrophobicContact SD-CE1 3.64Å; M247-F287 HydrophobicContact SD-CZ 3.76Å; L283-F287 HydrophobicContact CD1-CD2 3.67Å; L283-F287 HydrophobicContact CD1-CE2 4.01Å; L283-F287 HydrophobicContact CD2-CD2 4.24Å; L283-F287 HydrophobicContact CG-CD2 3.76Å; L283-F287 PolarHBondContact O-N 3.34Å; T284-F287 WeakPolarHBondContact CA-O 3.26Å; F287-E289 WeakPolarHBondContact CA-OE2 3.39Å; F287-E289 PolarHBondContact O-N 3.09Å; F287-Y290 WeakPolarHBondContact O-CB 3.34Å; F287-Y290 PolarHBondContact O-N 3.3Å; F287-Y302 HydrophobicContact CB-CE1 3.82Å; F287-Y302 HydrophobicContact CD1-CE1 4.02Å; F287-Y302 HydrophobicContact CD2-CE1 4.19Å; F287-Y302 HydrophobicContact CG-CD1 4.5Å; F287-Y302 AromaticContact CG-CE1 3.75Å; F287-Y302 HydrophobicContact CG-CE1 3.75Å; F287-I303 HydrophobicContact CE2-CG1 4Å; F287-K306 HydrophobicContact CD1-CD 4.49Å; F287-K306 HydrophobicContact CD1-CG 4.49Å; F287-K306 HydrophobicContact CE1-CB 4.46Å; F287-K306 HydrophobicContact CE1-CD 4.32Å; F287-K306 HydrophobicContact CE1-CG 4.09Å
288	P	97.7	Very high	97.2	Very high	104 Å²	104	64.2 Å²	64.2	68%	0.675	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.1	-175.4	-26.7	35.5	0	0	0	114.6	T284 C286 Y290	T284-P288 WeakPolarHBondContact O-CA 3.46Å; C286-P288 WeakPolarHBondContact O-CD 3.12Å; P288-Y290 VanDerWaalsContact C-N 3.33Å
289	E	97.2	Very high	97.3	Very high	101 Å²	101	64.2 Å²	64.2	47%	0.472	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.8	177.6	77.6	-78.8	-162.9	0	0	114.4	F287 I291 Y302 K306	F287-E289 WeakPolarHBondContact CA-OE2 3.39Å; F287-E289 PolarHBondContact O-N 3.09Å; E289-I291 PolarHBondContact O-N 3.46Å; E289-Y302 WeakPolarHBondContact CG-OH 3.34Å; E289-Y302 PolarHBondContact OE1-OH 3.31Å; E289-K306 IonicContact OE1-NZ 3.62Å; E289-K306 PolarHBondContact OE1-NZ 3.01Å
290	Y	98.2	Very high	97.3	Very high	16 Å²	16	58.2 Å²	58.2	6%	0.063	30%	0.304	C	S	.	.			trans	-69.3	124.3	177.9	-179.1	-113	0	0	0	111.3	L283 T284 F287 P288 G292 E293 E298 A299 Y302	L283-Y290 HydrophobicContact CB-CD1 3.71Å; L283-Y290 HydrophobicContact CB-CE1 3.97Å; L283-Y290 HydrophobicContact CB-CG 4.33Å; L283-Y290 HydrophobicContact CD2-CD1 3.83Å; L283-Y290 HydrophobicContact CD2-CD2 3.89Å; L283-Y290 HydrophobicContact CD2-CE1 3.89Å; L283-Y290 HydrophobicContact CD2-CE2 3.98Å; L283-Y290 HydrophobicContact CD2-CG 3.8Å; L283-Y290 HydrophobicContact CG-CD1 4.17Å; L283-Y290 HydrophobicContact CG-CE1 4.5Å; L283-Y290 HydrophobicContact CG-CG 4.31Å; T284-Y290 WeakPolarHBondContact CG2-O 3.43Å; F287-Y290 WeakPolarHBondContact O-CB 3.34Å; F287-Y290 PolarHBondContact O-N 3.3Å; P288-Y290 VanDerWaalsContact C-N 3.33Å; Y290-G292 VanDerWaalsContact CE1-C 3.45Å; Y290-G292 WeakPolarHBondContact CE1-O 3.13Å; Y290-G292 VanDerWaalsContact CZ-C 3.49Å; Y290-G292 VanDerWaalsContact CZ-CA 3.43Å; Y290-E293 PolarHBondContact OH-O 2.98Å; Y290-E298 WeakPolarHBondContact OH-CB 3.21Å; Y290-A299 PolarHBondContact OH-N 3.44Å; Y290-Y302 AromaticContact CD2-CD1 3.78Å; Y290-Y302 HydrophobicContact CD2-CD1 3.78Å; Y290-Y302 AromaticContact CD2-CD2 3.51Å; Y290-Y302 HydrophobicContact CD2-CD2 3.51Å; Y290-Y302 AromaticContact CD2-CE1 3.96Å; Y290-Y302 HydrophobicContact CD2-CE1 3.96Å; Y290-Y302 AromaticContact CD2-CE2 3.69Å; Y290-Y302 HydrophobicContact CD2-CE2 3.69Å; Y290-Y302 AromaticContact CD2-CG 3.52Å; Y290-Y302 HydrophobicContact CD2-CG 3.52Å; Y290-Y302 AromaticContact CD2-CZ 3.89Å; Y290-Y302 HydrophobicContact CE2-CD1 4.23Å; Y290-Y302 AromaticContact CE2-CD2 3.77Å; Y290-Y302 HydrophobicContact CE2-CD2 3.77Å; Y290-Y302 HydrophobicContact CE2-CE2 4.39Å; Y290-Y302 AromaticContact CE2-CG 3.64Å; Y290-Y302 HydrophobicContact CE2-CG 3.64Å
291	I	96.7	Very high	97.5	Very high	171 Å²	171	55.1 Å²	55.1	88%	0.877	29%	0.293	S	S	*	.			trans	-114.3	-0.4	-178.1	61.1	170.1	0	0	0	113.5	E289	E289-I291 PolarHBondContact O-N 3.46Å
292	G	96.4	Very high	97.6	Very high	27 Å²	27	57.3 Å²	57.3	28%	0.278	30%	0.3	S	S	.	.	S	Bend	trans	-80.5	178.1	179.2	0	0	0	0	0	112.8	Y290 E298	Y290-G292 VanDerWaalsContact CE1-C 3.45Å; Y290-G292 WeakPolarHBondContact CE1-O 3.13Å; Y290-G292 VanDerWaalsContact CZ-C 3.49Å; Y290-G292 VanDerWaalsContact CZ-CA 3.43Å; G292-E298 WeakPolarHBondContact CA-OE2 3.45Å
293	E	97	Very high	97.7	Very high	124 Å²	124	55 Å²	55	58%	0.579	29%	0.286	S	S	*	.			trans	-75.6	145.4	177.6	-69.9	-169.1	171.6	0	0	112.5	Y290 N295 E298	Y290-E293 PolarHBondContact OH-O 2.98Å; E293-N295 VanDerWaalsContact CB-ND2 3.27Å; E293-N295 WeakPolarHBondContact CB-ND2 3.12Å; E293-N295 PolarHBondContact O-N 3.41Å; E293-N295 PolarHBondContact OE2-ND2 2.85Å; E293-E298 PolarHBondContact N-OE2 3.23Å
294	N	97.1	Very high	97.7	Very high	58 Å²	58	56.8 Å²	56.8	31%	0.31	29%	0.294	S	S	.	.	S	Bend	trans	-77.7	56.5	172.8	-66.9	-57.8	0	0	0	111.8	I278 P282 L283	I278-N294 HydrophobicContact CD1-CB 4.47Å; I278-N294 HydrophobicContact CG1-CB 4.21Å; I278-N294 WeakPolarHBondContact O-CB 3.28Å; P282-N294 WeakPolarHBondContact CA-OD1 3.5Å; L283-N294 PolarHBondContact N-OD1 2.91Å
295	N	97	Very high	97.7	Very high	20 Å²	20	57.7 Å²	57.7	11%	0.107	30%	0.299	C	S	.	.	S	Bend	trans	-114.1	159.4	172.5	70.6	49.1	0	0	0	109.9	Y279 E293 Q297 E298 A299	Y279-N295 HydrophobicContact CE1-CB 4.34Å; E293-N295 VanDerWaalsContact CB-ND2 3.27Å; E293-N295 WeakPolarHBondContact CB-ND2 3.12Å; E293-N295 PolarHBondContact O-N 3.41Å; E293-N295 PolarHBondContact OE2-ND2 2.85Å; N295-Q297 VanDerWaalsContact C-N 3.32Å; N295-Q297 PolarHBondContact O-N 3.01Å; N295-Q297 PolarHBondContact OD1-N 3.23Å; N295-Q297 PolarHBondContact OD1-OE1 2.59Å; N295-E298 WeakPolarHBondContact OD1-CB 3.45Å; N295-E298 PolarHBondContact OD1-N 2.87Å; N295-A299 WeakPolarHBondContact O-CB 3.4Å; N295-A299 PolarHBondContact O-N 3.23Å; N295-A299 VanDerWaalsContact O-N 3.13Å
296	Y	97.1	Very high	97.8	Very high	34 Å²	34	57 Å²	57	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-42.1	-175.6	168.2	-107.2	0	0	0	113	R271 F274 E275 G300 F322	R271-Y296 HydrophobicContact CB-CE2 4.43Å; R271-Y296 VanDerWaalsContact CD-CZ 3.49Å; R271-Y296 WeakPolarHBondContact CD-OH 2.98Å; R271-Y296 HydrophobicContact CG-CE2 3.59Å; F274-Y296 AromaticContact CD1-CD2 3.65Å; F274-Y296 HydrophobicContact CD1-CD2 3.65Å; F274-Y296 AromaticContact CD1-CE2 3.99Å; F274-Y296 HydrophobicContact CD1-CE2 3.99Å; F274-Y296 AromaticContact CE1-CD2 3.89Å; F274-Y296 HydrophobicContact CE1-CD2 3.89Å; F274-Y296 HydrophobicContact CE1-CE2 4.37Å; E275-Y296 HydrophobicContact CB-CD2 3.86Å; E275-Y296 HydrophobicContact CB-CG 4.1Å; E275-Y296 HydrophobicContact CG-CD2 4.35Å; E275-Y296 HydrophobicContact CG-CG 4.08Å; Y296-G300 WeakPolarHBondContact O-CA 3.44Å; Y296-G300 PolarHBondContact O-N 3.11Å; Y296-F322 HydrophobicContact CE2-CD1 4.39Å; Y296-F322 VanDerWaalsContact OH-CD1 3.28Å; Y296-F322 WeakPolarHBondContact OH-CD1 3.32Å
297	Q	97.2	Very high	97.8	Very high	118 Å²	118	56.3 Å²	56.3	55%	0.551	29%	0.289	S	S	*	.	H	α-helix	trans	-67	-53.8	-173.3	-64.1	82.5	-3.4	0	0	111.8	N295 L301	N295-Q297 VanDerWaalsContact C-N 3.32Å; N295-Q297 PolarHBondContact O-N 3.01Å; N295-Q297 PolarHBondContact OD1-N 3.23Å; N295-Q297 PolarHBondContact OD1-OE1 2.59Å; Q297-L301 VanDerWaalsContact O-CB 3.26Å; Q297-L301 WeakPolarHBondContact O-CB 3.31Å; Q297-L301 PolarHBondContact O-N 2.65Å; Q297-L301 VanDerWaalsContact O-N 3.1Å
298	E	98.2	Very high	97.8	Very high	82 Å²	82	59 Å²	59	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-71.2	-45.6	-177.4	-71.7	-173.5	-141.1	0	0	111.9	Y290 G292 E293 N295 L301 Y302	Y290-E298 WeakPolarHBondContact OH-CB 3.21Å; G292-E298 WeakPolarHBondContact CA-OE2 3.45Å; E293-E298 PolarHBondContact N-OE2 3.23Å; N295-E298 WeakPolarHBondContact OD1-CB 3.45Å; N295-E298 PolarHBondContact OD1-N 2.87Å; E298-L301 PolarHBondContact O-N 2.92Å; E298-Y302 VanDerWaalsContact O-CB 3.31Å; E298-Y302 WeakPolarHBondContact O-CB 3.45Å; E298-Y302 PolarHBondContact O-N 3.14Å
299	A	98.5	Very high	97.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-40.8	-178.5	0	0	0	0	0	111.3	F274 I278 L283 Y290 N295 Y302 I303	F274-A299 HydrophobicContact CE1-CB 4.33Å; F274-A299 HydrophobicContact CZ-CB 3.68Å; I278-A299 HydrophobicContact CD1-CB 3.88Å; I278-A299 HydrophobicContact CG1-CB 3.81Å; L283-A299 HydrophobicContact CD2-CB 3.92Å; Y290-A299 PolarHBondContact OH-N 3.44Å; N295-A299 WeakPolarHBondContact O-CB 3.4Å; N295-A299 PolarHBondContact O-N 3.23Å; N295-A299 VanDerWaalsContact O-N 3.13Å; A299-Y302 PolarHBondContact O-N 3.34Å; A299-I303 WeakPolarHBondContact O-CG1 3.48Å; A299-I303 PolarHBondContact O-N 3.17Å
300	G	98.3	Very high	97.8	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-46.7	175.9	0	0	0	0	0	112.4	Y296 Y302 I303 Q304	Y296-G300 WeakPolarHBondContact O-CA 3.44Å; Y296-G300 PolarHBondContact O-N 3.11Å; G300-Y302 VanDerWaalsContact C-N 3.32Å; G300-Y302 PolarHBondContact O-N 3.39Å; G300-I303 PolarHBondContact O-N 2.88Å; G300-Q304 PolarHBondContact O-N 2.79Å
301	L	98.2	Very high	97.7	Very high	99 Å²	99	55.8 Å²	55.8	52%	0.518	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-36.2	177.4	-177.1	62.1	0	0	0	112.2	Q297 E298 Q304 T305	Q297-L301 VanDerWaalsContact O-CB 3.26Å; Q297-L301 WeakPolarHBondContact O-CB 3.31Å; Q297-L301 PolarHBondContact O-N 2.65Å; Q297-L301 VanDerWaalsContact O-N 3.1Å; E298-L301 PolarHBondContact O-N 2.92Å; L301-Q304 WeakPolarHBondContact O-CB 3.47Å; L301-Q304 PolarHBondContact O-N 2.9Å; L301-T305 PolarHBondContact O-N 3.24Å; L301-T305 PolarHBondContact O-OG1 2.9Å
302	Y	98.7	Very high	97.6	Very high	50 Å²	50	55.7 Å²	55.7	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-47.8	174.9	-176.1	-91.9	0	0	0	111.7	L283 F287 E289 Y290 E298 A299 G300 Q304 T305 K306	L283-Y302 HydrophobicContact CD2-CD1 3.82Å; L283-Y302 HydrophobicContact CD2-CE1 4.49Å; L283-Y302 HydrophobicContact CD2-CG 4.41Å; F287-Y302 HydrophobicContact CB-CE1 3.82Å; F287-Y302 HydrophobicContact CD1-CE1 4.02Å; F287-Y302 HydrophobicContact CD2-CE1 4.19Å; F287-Y302 HydrophobicContact CG-CD1 4.5Å; F287-Y302 AromaticContact CG-CE1 3.75Å; F287-Y302 HydrophobicContact CG-CE1 3.75Å; E289-Y302 WeakPolarHBondContact CG-OH 3.34Å; E289-Y302 PolarHBondContact OE1-OH 3.31Å; Y290-Y302 AromaticContact CD2-CD1 3.78Å; Y290-Y302 HydrophobicContact CD2-CD1 3.78Å; Y290-Y302 AromaticContact CD2-CD2 3.51Å; Y290-Y302 HydrophobicContact CD2-CD2 3.51Å; Y290-Y302 AromaticContact CD2-CE1 3.96Å; Y290-Y302 HydrophobicContact CD2-CE1 3.96Å; Y290-Y302 AromaticContact CD2-CE2 3.69Å; Y290-Y302 HydrophobicContact CD2-CE2 3.69Å; Y290-Y302 AromaticContact CD2-CG 3.52Å; Y290-Y302 HydrophobicContact CD2-CG 3.52Å; Y290-Y302 AromaticContact CD2-CZ 3.89Å; Y290-Y302 HydrophobicContact CE2-CD1 4.23Å; Y290-Y302 AromaticContact CE2-CD2 3.77Å; Y290-Y302 HydrophobicContact CE2-CD2 3.77Å; Y290-Y302 HydrophobicContact CE2-CE2 4.39Å; Y290-Y302 AromaticContact CE2-CG 3.64Å; Y290-Y302 HydrophobicContact CE2-CG 3.64Å; E298-Y302 VanDerWaalsContact O-CB 3.31Å; E298-Y302 WeakPolarHBondContact O-CB 3.45Å; E298-Y302 PolarHBondContact O-N 3.14Å; A299-Y302 PolarHBondContact O-N 3.34Å; G300-Y302 VanDerWaalsContact C-N 3.32Å; G300-Y302 PolarHBondContact O-N 3.39Å; Y302-Q304 VanDerWaalsContact C-N 3.34Å; Y302-Q304 PolarHBondContact O-N 3.32Å; Y302-T305 PolarHBondContact O-N 3.48Å; Y302-K306 HydrophobicContact CD1-CG 4.08Å; Y302-K306 HydrophobicContact CE1-CD 4.27Å; Y302-K306 VanDerWaalsContact CE1-CE 3.45Å; Y302-K306 HydrophobicContact CE1-CG 3.8Å; Y302-K306 WeakPolarHBondContact O-CG 3.46Å; Y302-K306 PolarHBondContact O-N 3.17Å; Y302-K306 WeakPolarHBondContact OH-CE 3.43Å; Y302-K306 PolarHBondContact OH-NZ 2.78Å
303	I	98.7	Very high	97.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-46.2	175.9	-66.5	166.1	0	0	0	110.2	L227 M243 F274 L283 F287 A299 G300 T305 K306 F307	L227-I303 HydrophobicContact CD2-CB 4.22Å; L227-I303 HydrophobicContact CD2-CD1 3.93Å; L227-I303 HydrophobicContact CD2-CG2 3.75Å; M243-I303 HydrophobicContact CE-CD1 4.34Å; M243-I303 HydrophobicContact CE-CG2 4.27Å; M243-I303 HydrophobicContact SD-CG2 4.25Å; F274-I303 HydrophobicContact CE2-CD1 3.82Å; F274-I303 HydrophobicContact CZ-CD1 3.82Å; L283-I303 HydrophobicContact CD1-CD1 3.9Å; L283-I303 HydrophobicContact CD1-CG1 4.17Å; L283-I303 HydrophobicContact CD2-CG1 4.45Å; F287-I303 HydrophobicContact CE2-CG1 4Å; A299-I303 WeakPolarHBondContact O-CG1 3.48Å; A299-I303 PolarHBondContact O-N 3.17Å; G300-I303 PolarHBondContact O-N 2.88Å; I303-T305 VanDerWaalsContact C-N 3.32Å; I303-T305 PolarHBondContact O-N 3.43Å; I303-K306 WeakPolarHBondContact O-CB 3.47Å; I303-K306 PolarHBondContact O-N 3.13Å; I303-K306 VanDerWaalsContact O-N 3.15Å; I303-F307 HydrophobicContact CG2-CD2 3.81Å; I303-F307 HydrophobicContact CG2-CE2 3.78Å; I303-F307 WeakPolarHBondContact O-CD2 3.42Å; I303-F307 PolarHBondContact O-N 3.29Å
304	Q	98.6	Very high	96.6	Very high	37 Å²	37	57.1 Å²	57.1	17%	0.173	29%	0.292	C	S	.	.	H	α-helix	trans	-51.7	-52.7	174.8	170	173.3	-0.7	0	0	111.4	L268 G300 L301 Y302 K306 F307 E308 T320 F322	L268-Q304 HydrophobicContact CD1-CB 3.7Å; L268-Q304 HydrophobicContact CD1-CG 4.36Å; G300-Q304 PolarHBondContact O-N 2.79Å; L301-Q304 WeakPolarHBondContact O-CB 3.47Å; L301-Q304 PolarHBondContact O-N 2.9Å; Y302-Q304 VanDerWaalsContact C-N 3.34Å; Y302-Q304 PolarHBondContact O-N 3.32Å; Q304-K306 VanDerWaalsContact C-N 3.26Å; Q304-K306 PolarHBondContact O-N 2.93Å; Q304-F307 PolarHBondContact O-N 2.58Å; Q304-F307 VanDerWaalsContact O-N 3.1Å; Q304-E308 HydrophobicContact CG-CG 4.29Å; Q304-E308 VanDerWaalsContact CG-OE1 3.3Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.48Å; Q304-E308 PolarHBondContact NE2-OE1 3.42Å; Q304-E308 WeakPolarHBondContact O-CG 3.27Å; Q304-E308 PolarHBondContact O-N 2.86Å; Q304-T320 HydrophobicContact CG-CG2 3.95Å; Q304-F322 HydrophobicContact CB-CZ 4.28Å; Q304-F322 VanDerWaalsContact OE1-CE2 3.29Å
305	T	98	Very high	96.1	Very high	75 Å²	75	60.1 Å²	60.1	46%	0.46	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-39.8	-179	-55.4	0	0	0	0	111.3	L301 Y302 I303 F307 E308 A309	L301-T305 PolarHBondContact O-N 3.24Å; L301-T305 PolarHBondContact O-OG1 2.9Å; Y302-T305 PolarHBondContact O-N 3.48Å; I303-T305 VanDerWaalsContact C-N 3.32Å; I303-T305 PolarHBondContact O-N 3.43Å; T305-F307 PolarHBondContact O-N 2.96Å; T305-E308 PolarHBondContact O-N 2.91Å; T305-A309 VanDerWaalsContact O-CB 3.22Å; T305-A309 WeakPolarHBondContact O-CB 3.38Å; T305-A309 PolarHBondContact O-N 2.93Å
306	K	98.4	Very high	95.8	Very high	57 Å²	57	60 Å²	60	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-41.5	176.8	-73.8	-75.1	177.3	168.7	0	112.5	M247 F287 E289 Y302 I303 Q304 L310	M247-K306 HydrophobicContact CE-CB 3.82Å; M247-K306 HydrophobicContact SD-CB 4.38Å; F287-K306 HydrophobicContact CD1-CD 4.49Å; F287-K306 HydrophobicContact CD1-CG 4.49Å; F287-K306 HydrophobicContact CE1-CB 4.46Å; F287-K306 HydrophobicContact CE1-CD 4.32Å; F287-K306 HydrophobicContact CE1-CG 4.09Å; E289-K306 IonicContact OE1-NZ 3.62Å; E289-K306 PolarHBondContact OE1-NZ 3.01Å; Y302-K306 HydrophobicContact CD1-CG 4.08Å; Y302-K306 HydrophobicContact CE1-CD 4.27Å; Y302-K306 VanDerWaalsContact CE1-CE 3.45Å; Y302-K306 HydrophobicContact CE1-CG 3.8Å; Y302-K306 WeakPolarHBondContact O-CG 3.46Å; Y302-K306 PolarHBondContact O-N 3.17Å; Y302-K306 WeakPolarHBondContact OH-CE 3.43Å; Y302-K306 PolarHBondContact OH-NZ 2.78Å; I303-K306 WeakPolarHBondContact O-CB 3.47Å; I303-K306 PolarHBondContact O-N 3.13Å; I303-K306 VanDerWaalsContact O-N 3.15Å; Q304-K306 VanDerWaalsContact C-N 3.26Å; Q304-K306 PolarHBondContact O-N 2.93Å; K306-L310 WeakPolarHBondContact O-CG 3.09Å
307	F	98.6	Very high	95.4	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70.8	-46.9	176	-84.9	-88.8	0	0	0	112	V225 M243 M247 F250 L266 L268 I303 Q304 T305 A309 L310	V225-F307 HydrophobicContact CB-CZ 4.24Å; V225-F307 HydrophobicContact CG1-CE1 4.36Å; V225-F307 HydrophobicContact CG1-CE2 3.76Å; V225-F307 HydrophobicContact CG1-CZ 3.55Å; V225-F307 HydrophobicContact CG2-CD1 4.08Å; V225-F307 HydrophobicContact CG2-CE1 3.52Å; V225-F307 HydrophobicContact CG2-CE2 4.18Å; V225-F307 HydrophobicContact CG2-CZ 3.59Å; M243-F307 HydrophobicContact SD-CE2 3.52Å; M243-F307 VanDerWaalsContact SD-CE2 3.52Å; M243-F307 HydrophobicContact SD-CZ 3.76Å; M247-F307 HydrophobicContact CB-CE1 4.35Å; M247-F307 HydrophobicContact CB-CZ 4.34Å; M247-F307 HydrophobicContact CG-CD1 4.3Å; M247-F307 HydrophobicContact CG-CD2 4.24Å; M247-F307 HydrophobicContact CG-CE1 3.76Å; M247-F307 HydrophobicContact CG-CE2 3.68Å; M247-F307 HydrophobicContact CG-CZ 3.41Å; M247-F307 VanDerWaalsContact CG-CZ 3.41Å; F250-F307 HydrophobicContact CB-CD1 3.79Å; F250-F307 HydrophobicContact CB-CE1 3.81Å; F250-F307 HydrophobicContact CD1-CB 4.47Å; F250-F307 AromaticContact CD1-CD1 3.76Å; F250-F307 HydrophobicContact CD1-CD1 3.76Å; F250-F307 HydrophobicContact CD2-CD1 4.44Å; F250-F307 HydrophobicContact CE1-CB 4.45Å; F250-F307 HydrophobicContact CE1-CD1 4.45Å; F250-F307 WeakPolarHBondContact CE1-O 3.33Å; F250-F307 AromaticContact CG-CD1 3.73Å; F250-F307 HydrophobicContact CG-CD1 3.73Å; F250-F307 HydrophobicContact CG-CE1 4.25Å; L266-F307 HydrophobicContact CD1-CD1 4.24Å; L266-F307 HydrophobicContact CD1-CG 4.48Å; L266-F307 HydrophobicContact CD2-CB 3.53Å; L266-F307 HydrophobicContact CD2-CG 4.2Å; L268-F307 HydrophobicContact CD2-CD2 4.41Å; I303-F307 HydrophobicContact CG2-CD2 3.81Å; I303-F307 HydrophobicContact CG2-CE2 3.78Å; I303-F307 WeakPolarHBondContact O-CD2 3.42Å; I303-F307 PolarHBondContact O-N 3.29Å; Q304-F307 PolarHBondContact O-N 2.58Å; Q304-F307 VanDerWaalsContact O-N 3.1Å; T305-F307 PolarHBondContact O-N 2.96Å; F307-A309 VanDerWaalsContact C-N 3.26Å; F307-A309 PolarHBondContact O-N 3.25Å; F307-L310 HydrophobicContact CD1-CD1 4.5Å; F307-L310 VanDerWaalsContact O-CB 3.32Å; F307-L310 WeakPolarHBondContact O-CB 3.49Å; F307-L310 PolarHBondContact O-N 3.47Å
308	E	97.5	Very high	95.3	Very high	65 Å²	65	59.3 Å²	59.3	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-37.1	-179.2	-72.1	173.4	174.3	0	0	111.9	Q304 T305 L310 N311 I318 T320	Q304-E308 HydrophobicContact CG-CG 4.29Å; Q304-E308 VanDerWaalsContact CG-OE1 3.3Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.48Å; Q304-E308 PolarHBondContact NE2-OE1 3.42Å; Q304-E308 WeakPolarHBondContact O-CG 3.27Å; Q304-E308 PolarHBondContact O-N 2.86Å; T305-E308 PolarHBondContact O-N 2.91Å; E308-L310 PolarHBondContact O-N 3.06Å; E308-N311 WeakPolarHBondContact O-CB 3.15Å; E308-N311 PolarHBondContact O-N 3.28Å; E308-N311 VanDerWaalsContact O-N 3.12Å; E308-I318 HydrophobicContact CG-CG2 4.42Å; E308-T320 WeakPolarHBondContact OE1-CB 3.3Å; E308-T320 PolarHBondContact OE1-OG1 3.23Å
309	A	97.1	Very high	95.2	Very high	79 Å²	79	58.1 Å²	58.1	65%	0.653	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.2	175.8	0	0	0	0	0	114.5	T305 F307 N311	T305-A309 VanDerWaalsContact O-CB 3.22Å; T305-A309 WeakPolarHBondContact O-CB 3.38Å; T305-A309 PolarHBondContact O-N 2.93Å; F307-A309 VanDerWaalsContact C-N 3.26Å; F307-A309 PolarHBondContact O-N 3.25Å; A309-N311 VanDerWaalsContact C-N 3.3Å
310	L	97.9	Very high	95.2	Very high	40 Å²	40	59.3 Å²	59.3	21%	0.209	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.9	174.7	-62.3	170.4	0	0	0	112.4	M247 F250 D251 N255 K306 F307 E308 R312	M247-L310 HydrophobicContact CB-CD1 3.9Å; M247-L310 HydrophobicContact CE-CD1 3.91Å; M247-L310 HydrophobicContact CE-CD2 4.4Å; M247-L310 HydrophobicContact CE-CG 4.37Å; M247-L310 HydrophobicContact CG-CD1 4.24Å; M247-L310 WeakPolarHBondContact O-CD1 3.49Å; F250-L310 HydrophobicContact CD1-CB 4.06Å; F250-L310 HydrophobicContact CD1-CD1 3.97Å; F250-L310 HydrophobicContact CE1-CB 4.38Å; D251-L310 HydrophobicContact CB-CB 4.26Å; D251-L310 HydrophobicContact CB-CD1 4.34Å; D251-L310 HydrophobicContact CB-CD2 4.32Å; N255-L310 PolarHBondContact ND2-O 3.44Å; K306-L310 WeakPolarHBondContact O-CG 3.09Å; F307-L310 HydrophobicContact CD1-CD1 4.5Å; F307-L310 VanDerWaalsContact O-CB 3.32Å; F307-L310 WeakPolarHBondContact O-CB 3.49Å; F307-L310 PolarHBondContact O-N 3.47Å; E308-L310 PolarHBondContact O-N 3.06Å; L310-R312 PolarHBondContact O-N 2.97Å
311	N	96.5	Very high	95.1	Very high	34 Å²	34	61.2 Å²	61.2	18%	0.182	32%	0.318	C	S	.	.			trans	-72.1	113.6	175.5	178.5	28.1	0	0	0	110.4	E308 A309 Q313 K316 I318	E308-N311 WeakPolarHBondContact O-CB 3.15Å; E308-N311 PolarHBondContact O-N 3.28Å; E308-N311 VanDerWaalsContact O-N 3.12Å; A309-N311 VanDerWaalsContact C-N 3.3Å; N311-Q313 PolarHBondContact ND2-O 3.48Å; N311-Q313 PolarHBondContact OD1-N 2.84Å; N311-Q313 VanDerWaalsContact OD1-N 3.08Å; N311-K316 PolarHBondContact ND2-O 3Å; N311-I318 HydrophobicContact CB-CD1 4.01Å; N311-I318 HydrophobicContact CB-CG1 3.89Å
312	R	94.6	Very high	95.1	Very high	170 Å²	170	58.6 Å²	58.6	64%	0.642	30%	0.303	S	S	*	.			trans	-98.8	-1.6	178.6	-65.7	173	-78.9	179.3	-11	112.6	D251 N255 L310	D251-R312 VanDerWaalsContact CG-NH2 3.31Å; D251-R312 IonicContact OD1-CZ 2.61Å; D251-R312 IonicContact OD1-NE 2.73Å; D251-R312 IonicContact OD1-NH2 2.98Å; D251-R312 PolarHBondContact OD1-NH2 3.37Å; D251-R312 IonicContact OD2-NH2 2.9Å; D251-R312 PolarHBondContact OD2-NH2 2.63Å; D251-R312 VanDerWaalsContact OD2-NH2 3.1Å; N255-R312 PolarHBondContact ND2-NE 3.22Å; N255-R312 VanDerWaalsContact ND2-NE 3.17Å; N255-R312 PolarHBondContact ND2-NH2 3.35Å; N255-R312 WeakPolarHBondContact OD1-CB 3.43Å; N255-R312 PolarHBondContact OD1-N 3.5Å; L310-R312 PolarHBondContact O-N 2.97Å
313	Q	89.2	Confident	95.1	Very high	34 Å²	34	56.2 Å²	56.2	16%	0.159	29%	0.293	C	S	.	.			trans	-90.7	109.7	-179.6	-60.2	-172.9	11.6	0	0	109.9	C254 N311 T315 K316	C254-Q313 PolarHBondContact O-NE2 3.46Å; N311-Q313 PolarHBondContact ND2-O 3.48Å; N311-Q313 PolarHBondContact OD1-N 2.84Å; N311-Q313 VanDerWaalsContact OD1-N 3.08Å; Q313-T315 PolarHBondContact O-N 2.98Å; Q313-K316 HydrophobicContact CB-CB 3.72Å; Q313-K316 PolarHBondContact O-N 2.88Å; Q313-K316 VanDerWaalsContact O-N 3.14Å
314	T	84	Confident	95.1	Very high	146 Å²	146	56.7 Å²	56.7	90%	0.896	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.8	-175	52.3	0	0	0	0	114.3
315	T	86.3	Confident	95	Very high	122 Å²	122	55.1 Å²	55.1	75%	0.748	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-11.7	179.8	53.6	0	0	0	0	113.4	Q313	Q313-T315 PolarHBondContact O-N 2.98Å
316	K	90.1	Very high	95	Very high	17 Å²	17	52.6 Å²	52.6	7%	0.074	27%	0.274	C	S	.	.			trans	-93.1	119.7	-176.6	-177.9	172.4	-75.9	175.4	0	109.8	C254 F259 M264 N311 Q313 I318	C254-K316 PolarHBondContact O-NZ 3.01Å; F259-K316 VanDerWaalsContact O-CE 3.28Å; F259-K316 WeakPolarHBondContact O-CE 3.47Å; F259-K316 PolarHBondContact O-NZ 3.05Å; M264-K316 HydrophobicContact CB-CD 4.3Å; M264-K316 HydrophobicContact CB-CG 4.48Å; N311-K316 PolarHBondContact ND2-O 3Å; Q313-K316 HydrophobicContact CB-CB 3.72Å; Q313-K316 PolarHBondContact O-N 2.88Å; Q313-K316 VanDerWaalsContact O-N 3.14Å; K316-I318 HydrophobicContact CD-CD1 4.44Å; K316-I318 HydrophobicContact CG-CD1 4.3Å
317	E	89.4	Confident	94.9	Very high	117 Å²	117	52.9 Å²	52.9	55%	0.547	28%	0.279	S	S	.	.			trans	-88.9	139.4	171.2	-168.2	173	-167.2	0	0	110.2	Y319	E317-Y319 HydrophobicContact CB-CE2 4.24Å; E317-Y319 VanDerWaalsContact CD-CE1 3.47Å; E317-Y319 HydrophobicContact CG-CE1 4.02Å; E317-Y319 HydrophobicContact CG-CE2 4.38Å; E317-Y319 WeakPolarHBondContact OE2-CE1 3.4Å; E317-Y319 PolarHBondContact OE2-OH 2.95Å
318	I	95.3	Very high	94.8	Very high	21 Å²	21	55.6 Å²	55.6	11%	0.108	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.1	173.6	-50.2	-57.9	0	0	0	107.8	F250 M264 L266 E308 N311 K316	F250-I318 HydrophobicContact CZ-CD1 4.17Å; F250-I318 HydrophobicContact CZ-CG2 4.23Å; M264-I318 HydrophobicContact CB-CD1 3.63Å; M264-I318 HydrophobicContact CG-CD1 3.53Å; L266-I318 HydrophobicContact CB-CG2 3.68Å; L266-I318 HydrophobicContact CD2-CG2 4.24Å; E308-I318 HydrophobicContact CG-CG2 4.42Å; N311-I318 HydrophobicContact CB-CD1 4.01Å; N311-I318 HydrophobicContact CB-CG1 3.89Å; K316-I318 HydrophobicContact CD-CD1 4.44Å; K316-I318 HydrophobicContact CG-CD1 4.3Å
319	Y	95.6	Very high	94.7	Very high	56 Å²	56	57.5 Å²	57.5	22%	0.22	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	103.9	176.7	-60	-79.6	0	0	0	109.7	M264 L265 L266 E317 V341	M264-Y319 PolarHBondContact O-N 3.3Å; L265-Y319 CarbonylContact C-O 3.56Å; L265-Y319 WeakPolarHBondContact CA-O 3.44Å; L265-Y319 HydrophobicContact CD2-CD2 4.3Å; L265-Y319 HydrophobicContact CD2-CG 4.42Å; L266-Y319 PolarHBondContact N-O 3.24Å; E317-Y319 HydrophobicContact CB-CE2 4.24Å; E317-Y319 VanDerWaalsContact CD-CE1 3.47Å; E317-Y319 HydrophobicContact CG-CE1 4.02Å; E317-Y319 HydrophobicContact CG-CE2 4.38Å; E317-Y319 WeakPolarHBondContact OE2-CE1 3.4Å; E317-Y319 PolarHBondContact OE2-OH 2.95Å; Y319-V341 HydrophobicContact CD1-CG2 4.03Å; Y319-V341 HydrophobicContact CD2-CG1 3.9Å; Y319-V341 HydrophobicContact CD2-CG2 4.44Å; Y319-V341 HydrophobicContact CE1-CG2 4.1Å; Y319-V341 HydrophobicContact CE2-CG1 3.56Å; Y319-V341 HydrophobicContact CE2-CG2 4.47Å; Y319-V341 HydrophobicContact CG-CG1 4.48Å; Y319-V341 HydrophobicContact CG-CG2 4.22Å
320	T	97.6	Very high	94.7	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.6	-173.6	-54.2	0	0	0	0	112.4	L266 L268 Q304 E308	L266-T320 HydrophobicContact CB-CG2 4.31Å; L266-T320 HydrophobicContact CD2-CG2 3.98Å; L266-T320 HydrophobicContact CG-CG2 4.15Å; L266-T320 CarbonylContact O-C 3.5Å; L266-T320 WeakPolarHBondContact O-CA 3.21Å; L268-T320 HydrophobicContact CD1-CG2 3.64Å; L268-T320 HydrophobicContact CG-CG2 3.88Å; Q304-T320 HydrophobicContact CG-CG2 3.95Å; E308-T320 WeakPolarHBondContact OE1-CB 3.3Å; E308-T320 PolarHBondContact OE1-OG1 3.23Å
321	H	97.9	Very high	94.7	Very high	40 Å²	40	52.8 Å²	52.8	19%	0.185	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.6	174.9	-67	-80.1	0	0	0	111.6	L266 F267 L268 T323 V334	L266-H321 PolarHBondContact O-N 3.09Å; F267-H321 WeakPolarHBondContact CA-O 3.12Å; F267-H321 HydrophobicContact CD1-CB 4.25Å; F267-H321 HydrophobicContact CE1-CB 4.42Å; L268-H321 PolarHBondContact N-O 3.5Å; H321-T323 HydrophobicContact CB-CG2 4.28Å; H321-T323 PolarHBondContact O-N 3.44Å; H321-V334 HydrophobicContact CB-CG1 3.81Å; H321-V334 HydrophobicContact CB-CG2 4.02Å
322	F	98.2	Very high	94.6	Very high	44 Å²	44	55.3 Å²	55.3	19%	0.193	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122.3	166.5	-69.8	-94.7	0	0	0	109.8	L227 L268 R271 Y296 Q304 N330	L227-F322 HydrophobicContact CD1-CD1 3.67Å; L227-F322 HydrophobicContact CD1-CE1 3.89Å; L268-F322 HydrophobicContact CB-CD1 4.03Å; L268-F322 HydrophobicContact CB-CE1 4.24Å; L268-F322 HydrophobicContact CB-CG 4.45Å; L268-F322 HydrophobicContact CD1-CD1 4.27Å; L268-F322 HydrophobicContact CD1-CE1 3.73Å; L268-F322 HydrophobicContact CD1-CE2 4.12Å; L268-F322 HydrophobicContact CD1-CZ 3.65Å; L268-F322 CarbonylContact O-C 3.57Å; L268-F322 WeakPolarHBondContact O-CA 3.4Å; R271-F322 PolarHBondContact NH1-O 3.35Å; R271-F322 VanDerWaalsContact NH1-O 3.15Å; Y296-F322 HydrophobicContact CE2-CD1 4.39Å; Y296-F322 VanDerWaalsContact OH-CD1 3.28Å; Y296-F322 WeakPolarHBondContact OH-CD1 3.32Å; Q304-F322 HydrophobicContact CB-CZ 4.28Å; Q304-F322 VanDerWaalsContact OE1-CE2 3.29Å; F322-N330 PolarHBondContact O-ND2 3.24Å
323	T	98.3	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.			trans	-124.3	151.8	-171.1	48.5	0	0	0	0	113.1	F267 L268 N269 K270 R271 H321 N330 I331 V334	F267-T323 HydrophobicContact CB-CG2 4.32Å; F267-T323 HydrophobicContact CD2-CG2 3.89Å; F267-T323 HydrophobicContact CE2-CG2 4.36Å; F267-T323 HydrophobicContact CG-CG2 3.99Å; L268-T323 PolarHBondContact O-N 3.41Å; N269-T323 CarbonylContact C-O 3.58Å; N269-T323 VanDerWaalsContact CA-O 3.29Å; N269-T323 WeakPolarHBondContact CA-O 3.39Å; N269-T323 WeakPolarHBondContact CA-OG1 3.48Å; N269-T323 VanDerWaalsContact CB-OG1 3.31Å; N269-T323 WeakPolarHBondContact CB-OG1 3.3Å; N269-T323 PolarHBondContact N-OG1 3.17Å; N269-T323 PolarHBondContact OD1-O 3.07Å; N269-T323 PolarHBondContact OD1-OG1 3.28Å; K270-T323 PolarHBondContact N-O 2.96Å; K270-T323 VanDerWaalsContact N-O 3.12Å; R271-T323 WeakPolarHBondContact CB-O 3.41Å; R271-T323 PolarHBondContact N-O 2.84Å; R271-T323 VanDerWaalsContact N-O 3.14Å; H321-T323 HydrophobicContact CB-CG2 4.28Å; H321-T323 PolarHBondContact O-N 3.44Å; T323-N330 WeakPolarHBondContact CA-OD1 3.46Å; T323-I331 HydrophobicContact CG2-CD1 4.16Å; T323-V334 HydrophobicContact CG2-CB 4.3Å; T323-V334 HydrophobicContact CG2-CG1 3.96Å; T323-V334 HydrophobicContact CG2-CG2 3.94Å
324	C	97.9	Very high	94.8	Very high	10 Å²	10	52.4 Å²	52.4	7%	0.068	28%	0.278	C	S	.	.			trans	-127.8	100.9	162.8	176.4	0	0	0	0	106.6	T326 D327 N330	C324-T326 PolarHBondContact O-N 2.89Å; C324-T326 PolarHBondContact SG-OG1 2.81Å; C324-T326 VanDerWaalsContact SG-OG1 3.35Å; C324-D327 HydrophobicContact CB-CB 3.87Å; C324-D327 WeakPolarHBondContact O-CB 3.25Å; C324-D327 PolarHBondContact O-N 2.99Å; C324-N330 PolarHBondContact N-OD1 2.95Å
325	A	97.3	Very high	95.3	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.041	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.7	-174.9	0	0	0	0	0	114.8	T48 I49 Q52 N269	T48-A325 HydrophobicContact CG2-CB 3.64Å; I49-A325 HydrophobicContact CG1-CB 3.82Å; Q52-A325 PolarHBondContact OE1-O 3.4Å; N269-A325 PolarHBondContact OD1-N 3.19Å
326	T	96.3	Very high	95.7	Very high	21 Å²	21	41.8 Å²	41.8	13%	0.129	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.8	177.3	63.4	0	0	0	0	113.1	T48 Q172 L175 R176 C324	T48-T326 HydrophobicContact CG2-CG2 3.9Å; Q172-T326 PolarHBondContact OE1-O 2.68Å; L175-T326 HydrophobicContact CB-CG2 4.29Å; R176-T326 PolarHBondContact NH2-OG1 3.02Å; C324-T326 PolarHBondContact O-N 2.89Å; C324-T326 PolarHBondContact SG-OG1 2.81Å; C324-T326 VanDerWaalsContact SG-OG1 3.35Å
327	D	97.2	Very high	95.8	Very high	63 Å²	63	42.3 Å²	42.3	34%	0.337	22%	0.219	S	C	.	.			trans	-105.9	105.5	174.5	175.6	-13.9	0	0	0	108.3	C324 T329 N330 I331	C324-D327 HydrophobicContact CB-CB 3.87Å; C324-D327 WeakPolarHBondContact O-CB 3.25Å; C324-D327 PolarHBondContact O-N 2.99Å; D327-T329 VanDerWaalsContact C-N 3.29Å; D327-T329 PolarHBondContact O-N 3.34Å; D327-T329 PolarHBondContact OD1-N 2.7Å; D327-N330 HydrophobicContact CB-CB 3.85Å; D327-N330 VanDerWaalsContact CG-CB 3.48Å; D327-N330 PolarHBondContact O-N 3.14Å; D327-N330 PolarHBondContact OD1-N 2.8Å; D327-N330 WeakPolarHBondContact OD2-CB 3.36Å; D327-I331 PolarHBondContact O-N 3.18Å
328	T	95.6	Very high	95.9	Very high	57 Å²	57	36.7 Å²	36.7	35%	0.35	19%	0.193	S	C	.	.	H	α-helix	trans	-55	-44.1	-179.8	-54.4	0	0	0	0	112.1	Q52 I56 I331 Q332	Q52-T328 PolarHBondContact NE2-OG1 3.28Å; I56-T328 HydrophobicContact CD1-CG2 4.41Å; I56-T328 HydrophobicContact CG1-CG2 3.91Å; T328-I331 PolarHBondContact O-N 2.95Å; T328-Q332 VanDerWaalsContact O-CB 3.28Å; T328-Q332 WeakPolarHBondContact O-CB 3.5Å; T328-Q332 PolarHBondContact O-N 3.26Å
329	T	96.3	Very high	95.8	Very high	105 Å²	105	35.7 Å²	35.7	64%	0.644	19%	0.187	S	C	*	.	H	α-helix	trans	-67.9	-41.9	-177.4	-59.2	0	0	0	0	110.6	D327 F333	D327-T329 VanDerWaalsContact C-N 3.29Å; D327-T329 PolarHBondContact O-N 3.34Å; D327-T329 PolarHBondContact OD1-N 2.7Å; T329-F333 WeakPolarHBondContact O-CB 3.43Å; T329-F333 PolarHBondContact O-N 3.14Å
330	N	97.2	Very high	95.5	Very high	17 Å²	17	36.7 Å²	36.7	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-47.3	176.3	176	-108.9	0	0	0	112.4	R271 F322 T323 C324 D327 F333 V334	R271-N330 PolarHBondContact NH2-ND2 3.32Å; F322-N330 PolarHBondContact O-ND2 3.24Å; T323-N330 WeakPolarHBondContact CA-OD1 3.46Å; C324-N330 PolarHBondContact N-OD1 2.95Å; D327-N330 HydrophobicContact CB-CB 3.85Å; D327-N330 VanDerWaalsContact CG-CB 3.48Å; D327-N330 PolarHBondContact O-N 3.14Å; D327-N330 PolarHBondContact OD1-N 2.8Å; D327-N330 WeakPolarHBondContact OD2-CB 3.36Å; N330-F333 PolarHBondContact O-N 3.41Å; N330-V334 WeakPolarHBondContact O-CB 3.44Å; N330-V334 WeakPolarHBondContact O-CG2 3.37Å; N330-V334 PolarHBondContact O-N 3.45Å
331	I	96.8	Very high	95	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-68.1	-36.7	-179.9	-67	-56.2	0	0	0	111.8	I49 Q52 L53 I56 T323 D327 T328 V334 F335	I49-I331 HydrophobicContact CG1-CD1 4.35Å; Q52-I331 HydrophobicContact CB-CG2 4.18Å; Q52-I331 HydrophobicContact CG-CB 3.67Å; Q52-I331 HydrophobicContact CG-CG1 3.88Å; Q52-I331 HydrophobicContact CG-CG2 3.69Å; L53-I331 HydrophobicContact CD2-CG2 4.23Å; L53-I331 HydrophobicContact CG-CG2 4.48Å; I56-I331 HydrophobicContact CD1-CB 4.22Å; I56-I331 HydrophobicContact CD1-CG2 3.85Å; T323-I331 HydrophobicContact CG2-CD1 4.16Å; D327-I331 PolarHBondContact O-N 3.18Å; T328-I331 PolarHBondContact O-N 2.95Å; I331-V334 PolarHBondContact O-N 3.14Å; I331-F335 VanDerWaalsContact O-CB 3.23Å; I331-F335 WeakPolarHBondContact O-CB 3.47Å; I331-F335 PolarHBondContact O-N 3.28Å
332	Q	95.2	Very high	94.6	Very high	87 Å²	87	34.4 Å²	34.4	41%	0.407	19%	0.185	S	C	.	.	H	α-helix	trans	-60.4	-49.7	174.4	-173.9	172.9	14.9	0	0	111.5	I56 T328 V334 F335 D336	I56-Q332 HydrophobicContact CD1-CB 4.02Å; I56-Q332 HydrophobicContact CG2-CB 4.47Å; I56-Q332 HydrophobicContact CG2-CG 4.19Å; T328-Q332 VanDerWaalsContact O-CB 3.28Å; T328-Q332 WeakPolarHBondContact O-CB 3.5Å; T328-Q332 PolarHBondContact O-N 3.26Å; Q332-V334 PolarHBondContact O-N 2.74Å; Q332-F335 PolarHBondContact O-N 3.41Å; Q332-D336 PolarHBondContact O-N 2.91Å
333	F	95	Very high	94.1	Very high	140 Å²	140	34.9 Å²	34.9	61%	0.614	19%	0.189	S	C	*	.	H	α-helix	trans	-59.7	-44.8	177.5	174	-95.8	0	0	0	112.5	T329 N330 D336 A337	T329-F333 WeakPolarHBondContact O-CB 3.43Å; T329-F333 PolarHBondContact O-N 3.14Å; N330-F333 PolarHBondContact O-N 3.41Å; F333-D336 WeakPolarHBondContact O-CB 3.42Å; F333-D336 PolarHBondContact O-N 3.42Å; F333-A337 PolarHBondContact O-N 3.34Å; F333-A337 VanDerWaalsContact O-N 3.15Å
334	V	94.1	Very high	93.4	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-67.4	-40.8	179.9	170.5	0	0	0	0	110.8	F267 H321 T323 N330 I331 Q332 D336 A337 V338	F267-V334 HydrophobicContact CD1-CG1 4.32Å; F267-V334 HydrophobicContact CE1-CG1 3.53Å; F267-V334 HydrophobicContact CE2-CG1 3.87Å; F267-V334 HydrophobicContact CZ-CG1 3.29Å; H321-V334 HydrophobicContact CB-CG1 3.81Å; H321-V334 HydrophobicContact CB-CG2 4.02Å; T323-V334 HydrophobicContact CG2-CB 4.3Å; T323-V334 HydrophobicContact CG2-CG1 3.96Å; T323-V334 HydrophobicContact CG2-CG2 3.94Å; N330-V334 WeakPolarHBondContact O-CB 3.44Å; N330-V334 WeakPolarHBondContact O-CG2 3.37Å; N330-V334 PolarHBondContact O-N 3.45Å; I331-V334 PolarHBondContact O-N 3.14Å; Q332-V334 PolarHBondContact O-N 2.74Å; V334-D336 VanDerWaalsContact C-N 3.3Å; V334-D336 PolarHBondContact O-N 3.23Å; V334-A337 PolarHBondContact O-N 3.01Å; V334-V338 HydrophobicContact CG1-CG2 4.43Å; V334-V338 VanDerWaalsContact O-CG2 3.26Å; V334-V338 WeakPolarHBondContact O-CG2 3.42Å; V334-V338 PolarHBondContact O-N 2.86Å
335	F	93.9	Very high	92.6	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-30.7	178.1	-163.7	-99.4	0	0	0	112.6	L36 L53 H57 F189 Y191 F196 L198 I331 Q332 V338 T339	L36-F335 HydrophobicContact CD1-CE2 3.83Å; L36-F335 HydrophobicContact CD1-CZ 4.15Å; L53-F335 HydrophobicContact CD1-CD2 3.97Å; L53-F335 HydrophobicContact CD1-CE2 3.89Å; L53-F335 HydrophobicContact CD2-CB 3.96Å; L53-F335 HydrophobicContact CD2-CD1 3.94Å; L53-F335 HydrophobicContact CD2-CD2 3.5Å; L53-F335 HydrophobicContact CD2-CE1 4.37Å; L53-F335 HydrophobicContact CD2-CE2 3.97Å; L53-F335 HydrophobicContact CD2-CG 3.5Å; L53-F335 VanDerWaalsContact CD2-CG 3.5Å; L53-F335 HydrophobicContact CD2-CZ 4.39Å; L53-F335 HydrophobicContact CG-CD2 4.4Å; H57-F335 AromaticContact NE2-CD1 3.43Å; H57-F335 WeakPolarHBondContact NE2-CD1 3.42Å; H57-F335 AromaticContact NE2-CE1 3.72Å; F189-F335 AromaticContact CE2-CE1 3.63Å; F189-F335 HydrophobicContact CE2-CE1 3.63Å; F189-F335 AromaticContact CE2-CZ 3.61Å; F189-F335 HydrophobicContact CE2-CZ 3.61Å; F189-F335 AromaticContact CZ-CE1 3.91Å; F189-F335 HydrophobicContact CZ-CE1 3.91Å; F189-F335 HydrophobicContact CZ-CE2 4.07Å; F189-F335 AromaticContact CZ-CZ 3.41Å; F189-F335 HydrophobicContact CZ-CZ 3.41Å; F189-F335 VanDerWaalsContact CZ-CZ 3.41Å; Y191-F335 AromaticContact CD1-CD1 3.95Å; Y191-F335 HydrophobicContact CD1-CD1 3.95Å; Y191-F335 AromaticContact CD1-CE1 3.78Å; Y191-F335 HydrophobicContact CD1-CE1 3.78Å; Y191-F335 HydrophobicContact CE1-CD1 4.18Å; Y191-F335 HydrophobicContact CE1-CE1 4.45Å; Y191-F335 HydrophobicContact CG-CE1 4.34Å; F196-F335 HydrophobicContact CD1-CZ 4.03Å; F196-F335 HydrophobicContact CD2-CE1 4.37Å; F196-F335 HydrophobicContact CD2-CZ 4.21Å; F196-F335 HydrophobicContact CE1-CZ 4.09Å; F196-F335 HydrophobicContact CE2-CE1 4.21Å; F196-F335 HydrophobicContact CE2-CZ 4.27Å; F196-F335 HydrophobicContact CG-CZ 4.07Å; F196-F335 HydrophobicContact CZ-CE1 4.37Å; F196-F335 HydrophobicContact CZ-CZ 4.2Å; L198-F335 HydrophobicContact CD1-CE2 4.46Å; I331-F335 VanDerWaalsContact O-CB 3.23Å; I331-F335 WeakPolarHBondContact O-CB 3.47Å; I331-F335 PolarHBondContact O-N 3.28Å; Q332-F335 PolarHBondContact O-N 3.41Å; F335-V338 PolarHBondContact O-N 3.08Å; F335-T339 WeakPolarHBondContact O-CB 3.32Å; F335-T339 PolarHBondContact O-N 3.19Å; F335-T339 PolarHBondContact O-OG1 3.22Å
336	D	93.9	Very high	91.9	Very high	41 Å²	41	45.3 Å²	45.3	22%	0.219	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-48.8	168.9	-92.6	-39.7	0	0	0	112.3	Y191 K192 Q332 F333 V334 V338 T339 D340	Y191-D336 VanDerWaalsContact CE1-OD1 3.32Å; Y191-D336 WeakPolarHBondContact CE1-OD1 3.41Å; Y191-D336 VanDerWaalsContact CZ-OD1 3.29Å; Y191-D336 VanDerWaalsContact OH-CG 3.26Å; Y191-D336 PolarHBondContact OH-OD1 2.86Å; Y191-D336 PolarHBondContact OH-OD2 3.1Å; K192-D336 VanDerWaalsContact CE-OD1 3.23Å; K192-D336 WeakPolarHBondContact CE-OD1 3.46Å; K192-D336 IonicContact NZ-OD1 2.7Å; K192-D336 PolarHBondContact NZ-OD1 2.9Å; Q332-D336 PolarHBondContact O-N 2.91Å; F333-D336 WeakPolarHBondContact O-CB 3.42Å; F333-D336 PolarHBondContact O-N 3.42Å; V334-D336 VanDerWaalsContact C-N 3.3Å; V334-D336 PolarHBondContact O-N 3.23Å; D336-V338 VanDerWaalsContact C-N 3.33Å; D336-V338 PolarHBondContact O-N 3Å; D336-T339 WeakPolarHBondContact O-CB 3.25Å; D336-T339 PolarHBondContact O-N 2.96Å; D336-D340 PolarHBondContact O-N 3.08Å
337	A	92.2	Very high	91	Very high	27 Å²	27	47.4 Å²	47.4	22%	0.223	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-41.8	176.4	0	0	0	0	0	111.9	F333 V334 T339 D340 V341	F333-A337 PolarHBondContact O-N 3.34Å; F333-A337 VanDerWaalsContact O-N 3.15Å; V334-A337 PolarHBondContact O-N 3.01Å; A337-T339 VanDerWaalsContact C-N 3.34Å; A337-T339 PolarHBondContact O-N 2.9Å; A337-D340 PolarHBondContact O-N 3.12Å; A337-V341 WeakPolarHBondContact O-CG2 3.49Å; A337-V341 PolarHBondContact O-N 3.15Å; A337-V341 VanDerWaalsContact O-N 3.11Å
338	V	92	Very high	90.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-47.3	173.3	170.3	0	0	0	0	110.8	L265 F267 V334 F335 D336 D340 V341 I342	L265-V338 HydrophobicContact CD1-CB 4.33Å; L265-V338 HydrophobicContact CD1-CG1 3.5Å; L265-V338 VanDerWaalsContact CD1-CG1 3.5Å; L265-V338 HydrophobicContact CD1-CG2 4.01Å; L265-V338 HydrophobicContact CD2-CB 4.37Å; L265-V338 HydrophobicContact CD2-CG1 4.25Å; L265-V338 HydrophobicContact CD2-CG2 3.83Å; L265-V338 HydrophobicContact CG-CG2 4.43Å; F267-V338 HydrophobicContact CE1-CG2 3.94Å; F267-V338 HydrophobicContact CZ-CG2 3.79Å; V334-V338 HydrophobicContact CG1-CG2 4.43Å; V334-V338 VanDerWaalsContact O-CG2 3.26Å; V334-V338 WeakPolarHBondContact O-CG2 3.42Å; V334-V338 PolarHBondContact O-N 2.86Å; F335-V338 PolarHBondContact O-N 3.08Å; D336-V338 VanDerWaalsContact C-N 3.33Å; D336-V338 PolarHBondContact O-N 3Å; V338-D340 VanDerWaalsContact C-N 3.29Å; V338-D340 PolarHBondContact O-N 2.6Å; V338-V341 WeakPolarHBondContact O-CB 3.32Å; V338-V341 PolarHBondContact O-N 3.5Å; V338-V341 VanDerWaalsContact O-N 3.16Å; V338-I342 HydrophobicContact CG1-CG1 4.38Å; V338-I342 WeakPolarHBondContact O-CG1 3.32Å; V338-I342 PolarHBondContact O-N 2.93Å
339	T	92.3	Very high	89.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-40.3	-179.3	-59.2	0	0	0	0	111.5	Y191 K192 I194 F196 F335 D336 A337 V341 I342 I343	Y191-T339 HydrophobicContact CD1-CG2 4.15Å; Y191-T339 HydrophobicContact CE1-CG2 4.42Å; K192-T339 HydrophobicContact CB-CG2 4.12Å; K192-T339 HydrophobicContact CD-CG2 3.65Å; K192-T339 HydrophobicContact CG-CG2 4.41Å; I194-T339 HydrophobicContact CD1-CG2 4.36Å; F196-T339 HydrophobicContact CE2-CG2 4.29Å; F196-T339 HydrophobicContact CZ-CG2 3.93Å; F335-T339 WeakPolarHBondContact O-CB 3.32Å; F335-T339 PolarHBondContact O-N 3.19Å; F335-T339 PolarHBondContact O-OG1 3.22Å; D336-T339 WeakPolarHBondContact O-CB 3.25Å; D336-T339 PolarHBondContact O-N 2.96Å; A337-T339 VanDerWaalsContact C-N 3.34Å; A337-T339 PolarHBondContact O-N 2.9Å; T339-V341 VanDerWaalsContact C-N 3.34Å; T339-V341 PolarHBondContact O-N 3.02Å; T339-I342 PolarHBondContact O-N 3.03Å; T339-I343 HydrophobicContact CG2-CD1 3.83Å; T339-I343 HydrophobicContact CG2-CG1 4.38Å; T339-I343 VanDerWaalsContact O-CG1 3.31Å; T339-I343 WeakPolarHBondContact O-CG1 3.36Å; T339-I343 PolarHBondContact O-N 3.5Å
340	D	89.3	Confident	88.2	Confident	77 Å²	77	54.4 Å²	54.4	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-66.9	-35	178.3	-65.4	-7.7	0	0	0	112.2	K192 D336 A337 V338 R344	K192-D340 IonicContact NZ-OD1 3Å; K192-D340 PolarHBondContact NZ-OD1 2.9Å; D336-D340 PolarHBondContact O-N 3.08Å; A337-D340 PolarHBondContact O-N 3.12Å; V338-D340 VanDerWaalsContact C-N 3.29Å; V338-D340 PolarHBondContact O-N 2.6Å; D340-R344 WeakPolarHBondContact O-CB 3.31Å; D340-R344 PolarHBondContact O-N 3.07Å
341	V	87.9	Confident	87	Confident	17 Å²	17	56.5 Å²	56.5	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-45	171.4	171.3	0	0	0	0	111	Y319 A337 V338 T339 R344 R345	Y319-V341 HydrophobicContact CD1-CG2 4.03Å; Y319-V341 HydrophobicContact CD2-CG1 3.9Å; Y319-V341 HydrophobicContact CD2-CG2 4.44Å; Y319-V341 HydrophobicContact CE1-CG2 4.1Å; Y319-V341 HydrophobicContact CE2-CG1 3.56Å; Y319-V341 HydrophobicContact CE2-CG2 4.47Å; Y319-V341 HydrophobicContact CG-CG1 4.48Å; Y319-V341 HydrophobicContact CG-CG2 4.22Å; A337-V341 WeakPolarHBondContact O-CG2 3.49Å; A337-V341 PolarHBondContact O-N 3.15Å; A337-V341 VanDerWaalsContact O-N 3.11Å; V338-V341 WeakPolarHBondContact O-CB 3.32Å; V338-V341 PolarHBondContact O-N 3.5Å; V338-V341 VanDerWaalsContact O-N 3.16Å; T339-V341 VanDerWaalsContact C-N 3.34Å; T339-V341 PolarHBondContact O-N 3.02Å; V341-R344 PolarHBondContact O-N 3.11Å; V341-R345 WeakPolarHBondContact O-CB 3.24Å; V341-R345 PolarHBondContact O-N 2.7Å
342	I	89.1	Confident	85.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-46	178	-61.1	-62.5	0	0	0	111	A34 L36 I194 T219 A220 V338 T339 R344 R345 N346	A34-I342 HydrophobicContact CB-CG2 3.87Å; L36-I342 HydrophobicContact CD2-CD1 4.07Å; L36-I342 HydrophobicContact CD2-CG1 4.45Å; I194-I342 HydrophobicContact CD1-CG2 4.5Å; T219-I342 HydrophobicContact CG2-CD1 3.89Å; T219-I342 HydrophobicContact CG2-CG2 4.14Å; A220-I342 HydrophobicContact CB-CD1 3.61Å; V338-I342 HydrophobicContact CG1-CG1 4.38Å; V338-I342 WeakPolarHBondContact O-CG1 3.32Å; V338-I342 PolarHBondContact O-N 2.93Å; T339-I342 PolarHBondContact O-N 3.03Å; I342-R344 PolarHBondContact O-N 3.31Å; I342-R345 PolarHBondContact O-N 3.01Å; I342-N346 PolarHBondContact O-N 2.88Å; I342-N346 PolarHBondContact O-OD1 3.24Å
343	I	87.2	Confident	83.5	Confident	55 Å²	55	65 Å²	65	28%	0.282	34%	0.335	S	S	.	.	H	α-helix	trans	-58.3	-50.3	177.2	-71	164.4	0	0	0	110.5	I194 T339 R345 N346 L347	I194-I343 HydrophobicContact CD1-CD1 4.08Å; I194-I343 HydrophobicContact CD1-CG1 3.38Å; T339-I343 HydrophobicContact CG2-CD1 3.83Å; T339-I343 HydrophobicContact CG2-CG1 4.38Å; T339-I343 VanDerWaalsContact O-CG1 3.31Å; T339-I343 WeakPolarHBondContact O-CG1 3.36Å; T339-I343 PolarHBondContact O-N 3.5Å; I343-R345 PolarHBondContact O-N 3.4Å; I343-N346 PolarHBondContact O-N 3.44Å; I343-L347 HydrophobicContact CG2-CD1 4.01Å; I343-L347 HydrophobicContact CG2-CG 4.39Å; I343-L347 WeakPolarHBondContact O-CG 3.23Å; I343-L347 PolarHBondContact O-N 2.95Å
344	R	84.1	Confident	82.9	Confident	153 Å²	153	61.3 Å²	61.3	58%	0.577	32%	0.321	S	S	*	.	H	α-helix	trans	-58.8	-40.1	-179.5	-170.3	-173.8	-57.5	174.6	3	111.7	D340 V341 I342 K348 L353	D340-R344 WeakPolarHBondContact O-CB 3.31Å; D340-R344 PolarHBondContact O-N 3.07Å; V341-R344 PolarHBondContact O-N 3.11Å; I342-R344 PolarHBondContact O-N 3.31Å; R344-K348 PolarHBondContact O-N 2.82Å; R344-K348 VanDerWaalsContact O-N 3.11Å; R344-L353 HydrophobicContact CG-CD1 4.06Å
345	R	82.5	Confident	82.3	Confident	52 Å²	52	64.3 Å²	64.3	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-47.6	175.8	175	175.5	168.4	-175.2	-5.9	112.1	T219 E261 S263 V341 I342 I343 L347 K348 L349	T219-R345 PolarHBondContact O-NH1 3.41Å; E261-R345 PolarHBondContact O-NH1 2.77Å; E261-R345 VanDerWaalsContact O-NH1 3.11Å; E261-R345 PolarHBondContact O-NH2 3.08Å; S263-R345 VanDerWaalsContact OG-CD 3.29Å; S263-R345 WeakPolarHBondContact OG-CD 3.33Å; S263-R345 PolarHBondContact OG-NH1 2.75Å; V341-R345 WeakPolarHBondContact O-CB 3.24Å; V341-R345 PolarHBondContact O-N 2.7Å; I342-R345 PolarHBondContact O-N 3.01Å; I343-R345 PolarHBondContact O-N 3.4Å; R345-L347 VanDerWaalsContact C-N 3.28Å; R345-L347 PolarHBondContact O-N 3.25Å; R345-K348 WeakPolarHBondContact O-CB 3.47Å; R345-K348 PolarHBondContact O-N 3.46Å; R345-K348 VanDerWaalsContact O-N 3.12Å; R345-L349 HydrophobicContact CG-CD1 4.14Å; R345-L349 HydrophobicContact CG-CG 4.44Å; R345-L349 PolarHBondContact O-N 3.39Å
346	N	81.1	Confident	81.7	Confident	29 Å²	29	67.6 Å²	67.6	16%	0.155	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-42.5	179.7	-71.3	6.3	0	0	0	110.6	A31 I342 I343 K348 L349 D350	A31-N346 PolarHBondContact O-ND2 3.38Å; A31-N346 VanDerWaalsContact O-ND2 3.16Å; I342-N346 PolarHBondContact O-N 2.88Å; I342-N346 PolarHBondContact O-OD1 3.24Å; I343-N346 PolarHBondContact O-N 3.44Å; N346-K348 VanDerWaalsContact C-N 3.32Å; N346-K348 PolarHBondContact O-N 3.44Å; N346-L349 PolarHBondContact O-N 3.31Å; N346-D350 PolarHBondContact O-N 3.08Å
347	L	78.8	Confident	80.9	Confident	64 Å²	64	69.2 Å²	69.2	34%	0.335	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-39.3	174.8	-68.1	174.4	0	0	0	113.1	I343 R345 D350 G351 L352 L353	I343-L347 HydrophobicContact CG2-CD1 4.01Å; I343-L347 HydrophobicContact CG2-CG 4.39Å; I343-L347 WeakPolarHBondContact O-CG 3.23Å; I343-L347 PolarHBondContact O-N 2.95Å; R345-L347 VanDerWaalsContact C-N 3.28Å; R345-L347 PolarHBondContact O-N 3.25Å; L347-D350 PolarHBondContact O-N 2.95Å; L347-G351 PolarHBondContact O-N 3.08Å; L347-L352 HydrophobicContact CB-CB 4.43Å; L347-L352 HydrophobicContact CD2-CB 4.26Å; L347-L352 HydrophobicContact CD2-CD1 3.74Å; L347-L352 WeakPolarHBondContact O-CB 3.35Å; L347-L352 PolarHBondContact O-N 3.25Å; L347-L353 HydrophobicContact CB-CD1 3.87Å; L347-L353 HydrophobicContact CB-CG 4.18Å; L347-L353 HydrophobicContact CD1-CD1 4.24Å
348	K	78.9	Confident	80.2	Confident	150 Å²	150	71.8 Å²	71.8	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-67.9	-38.6	176.3	-168.6	179.6	-177.5	-178.6	0	112.3	R344 R345 N346 D350 G351	R344-K348 PolarHBondContact O-N 2.82Å; R344-K348 VanDerWaalsContact O-N 3.11Å; R345-K348 WeakPolarHBondContact O-CB 3.47Å; R345-K348 PolarHBondContact O-N 3.46Å; R345-K348 VanDerWaalsContact O-N 3.12Å; N346-K348 VanDerWaalsContact C-N 3.32Å; N346-K348 PolarHBondContact O-N 3.44Å; K348-D350 VanDerWaalsContact C-N 3.31Å; K348-G351 PolarHBondContact O-N 2.93Å
349	L	76	Confident	79.5	Confident	120 Å²	120	76.6 Å²	76.6	63%	0.628	40%	0.395	S	S	*	.	H	α-helix	trans	-67.5	-33.3	176.2	-71.1	174.1	0	0	0	112.1	R345 N346 G351	R345-L349 HydrophobicContact CG-CD1 4.14Å; R345-L349 HydrophobicContact CG-CG 4.44Å; R345-L349 PolarHBondContact O-N 3.39Å; N346-L349 PolarHBondContact O-N 3.31Å; L349-G351 PolarHBondContact O-N 2.83Å
350	D	74.6	Confident	78.5	Confident	102 Å²	102	82.1 Å²	82.1	55%	0.545	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-1.6	175.3	-68	-20.2	0	0	0	113.3	N346 L347 K348 L352	N346-D350 PolarHBondContact O-N 3.08Å; L347-D350 PolarHBondContact O-N 2.95Å; K348-D350 VanDerWaalsContact C-N 3.31Å; D350-L352 VanDerWaalsContact C-N 3.3Å; D350-L352 HydrophobicContact CB-CD1 4.13Å; D350-L352 HydrophobicContact CB-CG 4.15Å; D350-L352 PolarHBondContact O-N 3.31Å
351	G	72.5	Confident	77.7	Confident	62 Å²	62	82.5 Å²	82.5	64%	0.639	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	21.4	-178.8	0	0	0	0	0	114.5	L347 K348 L349	L347-G351 PolarHBondContact O-N 3.08Å; K348-G351 PolarHBondContact O-N 2.93Å; L349-G351 PolarHBondContact O-N 2.83Å
352	L	62.7	Low	76.9	Confident	120 Å²	120	87.9 Å²	87.9	63%	0.628	45%	0.451	S	S	*	.			trans	-89.3	-6.4	178.5	-62.8	173.3	0	0	0	113.2	L347 D350	L347-L352 HydrophobicContact CB-CB 4.43Å; L347-L352 HydrophobicContact CD2-CB 4.26Å; L347-L352 HydrophobicContact CD2-CD1 3.74Å; L347-L352 WeakPolarHBondContact O-CB 3.35Å; L347-L352 PolarHBondContact O-N 3.25Å; D350-L352 VanDerWaalsContact C-N 3.3Å; D350-L352 HydrophobicContact CB-CD1 4.13Å; D350-L352 HydrophobicContact CB-CG 4.15Å; D350-L352 PolarHBondContact O-N 3.31Å
353	L	54.9	Low	75.7	Confident	148 Å²	148	95.9 Å²	95.9	78%	0.775	49%	0.492	S	S	*	.			trans	-139.9	0	172.4	-70	174.1	0	0	0	108.5	R344 L347	R344-L353 HydrophobicContact CG-CD1 4.06Å; L347-L353 HydrophobicContact CB-CD1 3.87Å; L347-L353 HydrophobicContact CB-CG 4.18Å; L347-L353 HydrophobicContact CD1-CD1 4.24Å

Retrieved 353 of 353 residues in 723.8 ms (Link to these results)

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