A0AA82N0U9_SCHMA Loading...

Methyltransf_25 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N0U9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 298 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	48.1	Very low	250 Å²	250	140.1 Å²	140.1	100%	1.232	83%	0.834	S	S	*	*				0	125.7	0	-85.9	175	171.1	0	0	107.7
2	T	43.1	Very low	50.2	Low	148 Å²	148	133.7 Å²	133.7	91%	0.908	80%	0.801	S	S	*	*			trans	-58.4	136.4	177	41.5	0	0	0	0	111.9
3	G	43.4	Very low	52.7	Low	68 Å²	68	133.8 Å²	133.8	70%	0.701	80%	0.796	S	S	*	*			trans	-149.5	82.3	166.8	0	0	0	0	0	107.7	V5	G3-V5 PolarHBondContact O-N 3.42Å; G3-V5 VanDerWaalsContact O-N 3.13Å
4	T	43.8	Very low	55.1	Low	140 Å²	140	135.1 Å²	135.1	86%	0.859	79%	0.789	S	S	*	*			trans	-54.2	107.8	168.2	23.6	0	0	0	0	108.8	E6	T4-E6 PolarHBondContact O-N 3.13Å
5	V	45.1	Very low	57.3	Low	141 Å²	141	129.3 Å²	129.3	86%	0.855	76%	0.759	S	S	*	*			trans	-74.7	117.7	165.5	176.1	0	0	0	0	106.3	G3	G3-V5 PolarHBondContact O-N 3.42Å; G3-V5 VanDerWaalsContact O-N 3.13Å
6	E	44.7	Very low	59.2	Low	178 Å²	178	125 Å²	125	83%	0.832	74%	0.735	S	S	*	*			trans	-54.4	138.3	179.7	-72.8	174	150.5	0	0	111.1	T4 G8	T4-E6 PolarHBondContact O-N 3.13Å; E6-G8 PolarHBondContact O-N 3.17Å
7	T	47.7	Very low	61	Low	137 Å²	137	125.2 Å²	125.2	84%	0.84	73%	0.727	S	S	*	*			trans	-51.1	104.2	175.8	47.5	0	0	0	0	110.2	S9	T7-S9 PolarHBondContact O-N 3.02Å
8	G	48.9	Very low	62.7	Low	61 Å²	61	121.4 Å²	121.4	63%	0.629	71%	0.713	S	S	*	*			trans	-53.4	121.5	155.3	0	0	0	0	0	106.9	E6 N10	E6-G8 PolarHBondContact O-N 3.17Å; G8-N10 PolarHBondContact O-N 2.77Å
9	S	52.4	Low	64.2	Low	112 Å²	112	123.1 Å²	123.1	78%	0.783	71%	0.706	S	S	*	*			trans	-60.5	89.2	170.2	52.3	0	0	0	0	107.5	T7 E11	T7-S9 PolarHBondContact O-N 3.02Å; S9-E11 PolarHBondContact O-N 3.44Å
10	N	56.9	Low	65.5	Low	158 Å²	158	123.4 Å²	123.4	85%	0.845	70%	0.695	S	S	*	*			trans	-67.5	85.5	168.6	-85.8	0.2	0	0	0	106.4	G8 S12	G8-N10 PolarHBondContact O-N 2.77Å; N10-S12 PolarHBondContact O-N 3.24Å
11	E	59.7	Low	66.9	Low	148 Å²	148	124.4 Å²	124.4	69%	0.692	69%	0.694	S	S	*	*			trans	-49	115.9	149	-76.9	-177.5	159.6	0	0	105.7	S9 V16	S9-E11 PolarHBondContact O-N 3.44Å; E11-V16 HydrophobicContact CB-CG2 4.32Å
12	S	73.6	Confident	69.3	Low	63 Å²	63	116.3 Å²	116.3	44%	0.441	66%	0.662	S	S	.	*			trans	-54.7	142.6	-179.6	48.4	0	0	0	0	109.7	N10 E14 S15 V16	N10-S12 PolarHBondContact O-N 3.24Å; S12-E14 PolarHBondContact O-N 3.27Å; S12-S15 PolarHBondContact N-OG 3.07Å; S12-S15 WeakPolarHBondContact O-CA 3.47Å; S12-S15 WeakPolarHBondContact O-CB 3.33Å; S12-S15 PolarHBondContact O-N 2.8Å; S12-S15 PolarHBondContact O-OG 3.25Å; S12-S15 WeakPolarHBondContact OG-CB 3.49Å; S12-S15 PolarHBondContact OG-N 2.85Å; S12-S15 PolarHBondContact OG-OG 3.05Å; S12-V16 PolarHBondContact O-N 2.91Å
13	D	81.8	Confident	71.7	Confident	136 Å²	136	113.6 Å²	113.6	73%	0.727	64%	0.637	S	S	*	*	H	α-helix	trans	-49.2	-37.1	175.5	-68.9	-22.7	0	0	0	111.4	S15 V16 E17	D13-S15 PolarHBondContact O-N 2.95Å; D13-V16 PolarHBondContact O-N 2.66Å; D13-E17 WeakPolarHBondContact O-CG 3.35Å; D13-E17 PolarHBondContact O-N 3.19Å
14	E	86.4	Confident	74.1	Confident	152 Å²	152	114.8 Å²	114.8	71%	0.71	63%	0.628	S	S	*	*	H	α-helix	trans	-58.5	-39.6	174	-65.5	-178.3	175.1	0	0	113.8	S12 A18	S12-E14 PolarHBondContact O-N 3.27Å; E14-A18 WeakPolarHBondContact O-CB 3.48Å; E14-A18 PolarHBondContact O-N 3.38Å
15	S	88.5	Confident	76.5	Confident	48 Å²	48	116 Å²	116	34%	0.336	62%	0.621	S	S	.	*	H	α-helix	trans	-70.7	-34	178.1	63.1	0	0	0	0	112.3	S12 D13 W19	S12-S15 PolarHBondContact N-OG 3.07Å; S12-S15 WeakPolarHBondContact O-CA 3.47Å; S12-S15 WeakPolarHBondContact O-CB 3.33Å; S12-S15 PolarHBondContact O-N 2.8Å; S12-S15 PolarHBondContact O-OG 3.25Å; S12-S15 WeakPolarHBondContact OG-CB 3.49Å; S12-S15 PolarHBondContact OG-N 2.85Å; S12-S15 PolarHBondContact OG-OG 3.05Å; D13-S15 PolarHBondContact O-N 2.95Å; S15-W19 WeakPolarHBondContact O-CB 3.48Å; S15-W19 PolarHBondContact O-N 3.05Å
16	V	87.1	Confident	78.7	Confident	60 Å²	60	114.6 Å²	114.6	36%	0.364	61%	0.605	S	S	.	*	H	α-helix	trans	-71.1	-42.5	175.8	178.7	0	0	0	0	110.3	E11 S12 D13 W19 W20	E11-V16 HydrophobicContact CB-CG2 4.32Å; S12-V16 PolarHBondContact O-N 2.91Å; D13-V16 PolarHBondContact O-N 2.66Å; V16-W19 PolarHBondContact O-N 3.36Å; V16-W20 PolarHBondContact O-N 3.08Å
17	E	90.1	Very high	80.9	Confident	129 Å²	129	110.4 Å²	110.4	60%	0.603	58%	0.584	S	S	*	*	H	α-helix	trans	-61.7	-48.8	175.2	-75.8	-177.4	173	0	0	111.8	D13 W19 W20 E21	D13-E17 WeakPolarHBondContact O-CG 3.35Å; D13-E17 PolarHBondContact O-N 3.19Å; E17-W19 VanDerWaalsContact C-N 3.3Å; E17-W19 PolarHBondContact O-N 3.41Å; E17-W20 WeakPolarHBondContact O-CB 3.44Å; E17-W20 PolarHBondContact O-N 2.94Å; E17-W20 VanDerWaalsContact O-N 3.09Å; E17-E21 PolarHBondContact O-N 3.09Å
18	A	91.2	Very high	83.1	Confident	57 Å²	57	109.7 Å²	109.7	47%	0.471	57%	0.574	S	S	.	*	H	α-helix	trans	-61	-38.8	177.6	0	0	0	0	0	112.4	E14 S22	E14-A18 WeakPolarHBondContact O-CB 3.48Å; E14-A18 PolarHBondContact O-N 3.38Å; A18-S22 WeakPolarHBondContact O-CB 3.45Å; A18-S22 PolarHBondContact O-N 2.95Å; A18-S22 VanDerWaalsContact O-N 3.08Å
19	W	92.4	Very high	85	Confident	153 Å²	153	109.1 Å²	109.1	58%	0.58	56%	0.564	S	S	*	*	H	α-helix	trans	-63.1	-43.8	173.3	178.9	88.8	0	0	0	111.6	S15 V16 E17 S22 F23	S15-W19 WeakPolarHBondContact O-CB 3.48Å; S15-W19 PolarHBondContact O-N 3.05Å; V16-W19 PolarHBondContact O-N 3.36Å; E17-W19 VanDerWaalsContact C-N 3.3Å; E17-W19 PolarHBondContact O-N 3.41Å; W19-S22 PolarHBondContact O-N 3.25Å; W19-F23 HydrophobicContact CH2-CD2 4.37Å; W19-F23 HydrophobicContact CH2-CG 4.44Å; W19-F23 HydrophobicContact CZ2-CD2 4.41Å; W19-F23 WeakPolarHBondContact O-CB 3.43Å; W19-F23 PolarHBondContact O-N 3Å
20	W	90.3	Very high	86.8	Confident	128 Å²	128	107 Å²	107	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-62.1	-45.4	178.1	-110.9	130.3	0	0	0	112.5	V16 E17 S22 F23 L24	V16-W20 PolarHBondContact O-N 3.08Å; E17-W20 WeakPolarHBondContact O-CB 3.44Å; E17-W20 PolarHBondContact O-N 2.94Å; E17-W20 VanDerWaalsContact O-N 3.09Å; W20-S22 VanDerWaalsContact C-N 3.34Å; W20-S22 PolarHBondContact O-N 2.86Å; W20-F23 HydrophobicContact CE3-CB 4.34Å; W20-F23 AromaticContact CE3-CD1 3.71Å; W20-F23 HydrophobicContact CE3-CD1 3.71Å; W20-F23 HydrophobicContact CE3-CE1 4.48Å; W20-F23 HydrophobicContact CE3-CG 4.36Å; W20-F23 HydrophobicContact CH2-CD1 4.26Å; W20-F23 HydrophobicContact CH2-CE1 4.27Å; W20-F23 AromaticContact CZ3-CD1 3.29Å; W20-F23 HydrophobicContact CZ3-CD1 3.29Å; W20-F23 AromaticContact CZ3-CE1 3.63Å; W20-F23 HydrophobicContact CZ3-CE1 3.63Å; W20-F23 HydrophobicContact CZ3-CG 4.25Å; W20-F23 PolarHBondContact O-N 3.42Å; W20-L24 HydrophobicContact CE3-CD1 4.49Å; W20-L24 HydrophobicContact CE3-CD2 4.4Å; W20-L24 HydrophobicContact CE3-CG 4.02Å; W20-L24 HydrophobicContact CZ3-CD2 4.18Å; W20-L24 HydrophobicContact CZ3-CG 4.3Å; W20-L24 WeakPolarHBondContact O-CG 3.41Å; W20-L24 PolarHBondContact O-N 3.01Å
21	E	93.8	Very high	88.4	Confident	145 Å²	145	102.8 Å²	102.8	68%	0.678	52%	0.521	S	S	*	.	H	α-helix	trans	-61.1	-43.7	176.4	-71.3	-171.9	162.9	0	0	111.7	E17 F23 L24 K25	E17-E21 PolarHBondContact O-N 3.09Å; E21-F23 PolarHBondContact O-N 2.9Å; E21-L24 PolarHBondContact O-N 3.47Å; E21-K25 WeakPolarHBondContact O-CB 3.36Å; E21-K25 PolarHBondContact O-N 3.5Å
22	S	94.1	Very high	89.8	Confident	80 Å²	80	101.8 Å²	101.8	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-62	-42.7	175.5	-174.3	0	0	0	0	111.8	A18 W19 W20 K25 Q26	A18-S22 WeakPolarHBondContact O-CB 3.45Å; A18-S22 PolarHBondContact O-N 2.95Å; A18-S22 VanDerWaalsContact O-N 3.08Å; W19-S22 PolarHBondContact O-N 3.25Å; W20-S22 VanDerWaalsContact C-N 3.34Å; W20-S22 PolarHBondContact O-N 2.86Å; S22-K25 PolarHBondContact O-N 3.47Å; S22-Q26 PolarHBondContact O-N 3.34Å
23	F	93.5	Very high	90.5	Very high	91 Å²	91	103.2 Å²	103.2	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-46.4	177.6	174.5	-88.8	0	0	0	111.5	W19 W20 E21 K25 Q26 K27	W19-F23 HydrophobicContact CH2-CD2 4.37Å; W19-F23 HydrophobicContact CH2-CG 4.44Å; W19-F23 HydrophobicContact CZ2-CD2 4.41Å; W19-F23 WeakPolarHBondContact O-CB 3.43Å; W19-F23 PolarHBondContact O-N 3Å; W20-F23 HydrophobicContact CE3-CB 4.34Å; W20-F23 AromaticContact CE3-CD1 3.71Å; W20-F23 HydrophobicContact CE3-CD1 3.71Å; W20-F23 HydrophobicContact CE3-CE1 4.48Å; W20-F23 HydrophobicContact CE3-CG 4.36Å; W20-F23 HydrophobicContact CH2-CD1 4.26Å; W20-F23 HydrophobicContact CH2-CE1 4.27Å; W20-F23 AromaticContact CZ3-CD1 3.29Å; W20-F23 HydrophobicContact CZ3-CD1 3.29Å; W20-F23 AromaticContact CZ3-CE1 3.63Å; W20-F23 HydrophobicContact CZ3-CE1 3.63Å; W20-F23 HydrophobicContact CZ3-CG 4.25Å; W20-F23 PolarHBondContact O-N 3.42Å; E21-F23 PolarHBondContact O-N 2.9Å; F23-K25 VanDerWaalsContact C-N 3.32Å; F23-K25 PolarHBondContact O-N 2.89Å; F23-Q26 PolarHBondContact O-N 3.42Å; F23-K27 HydrophobicContact CE1-CB 4.44Å; F23-K27 WeakPolarHBondContact O-CB 3.41Å; F23-K27 PolarHBondContact O-N 3.44Å
24	L	93.5	Very high	90.7	Very high	94 Å²	94	100.2 Å²	100.2	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-62.1	-41.3	178.4	-73.6	173.5	0	0	0	111.6	W20 E21 K27 L28	W20-L24 HydrophobicContact CE3-CD1 4.49Å; W20-L24 HydrophobicContact CE3-CD2 4.4Å; W20-L24 HydrophobicContact CE3-CG 4.02Å; W20-L24 HydrophobicContact CZ3-CD2 4.18Å; W20-L24 HydrophobicContact CZ3-CG 4.3Å; W20-L24 WeakPolarHBondContact O-CG 3.41Å; W20-L24 PolarHBondContact O-N 3.01Å; E21-L24 PolarHBondContact O-N 3.47Å; L24-K27 PolarHBondContact O-N 2.95Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 2.85Å
25	K	94	Very high	90.7	Very high	166 Å²	166	97.5 Å²	97.5	72%	0.722	50%	0.496	S	S	*	.	H	α-helix	trans	-62.8	-43.6	176.2	-172	178.9	-179.8	-179.4	0	112	E21 S22 F23 A29	E21-K25 WeakPolarHBondContact O-CB 3.36Å; E21-K25 PolarHBondContact O-N 3.5Å; S22-K25 PolarHBondContact O-N 3.47Å; F23-K25 VanDerWaalsContact C-N 3.32Å; F23-K25 PolarHBondContact O-N 2.89Å; K25-A29 PolarHBondContact O-N 3.16Å; K25-A29 VanDerWaalsContact O-N 3.16Å
26	Q	91.9	Very high	90.5	Very high	110 Å²	110	101 Å²	101	51%	0.514	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-43.9	175.4	-174.1	61.9	44	0	0	111	S22 F23 L28 A29 D30	S22-Q26 PolarHBondContact O-N 3.34Å; F23-Q26 PolarHBondContact O-N 3.42Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 3.27Å; Q26-A29 PolarHBondContact O-N 3.16Å; Q26-A29 VanDerWaalsContact O-N 3.16Å; Q26-D30 PolarHBondContact NE2-OD1 2.84Å; Q26-D30 VanDerWaalsContact O-CG 3.28Å; Q26-D30 PolarHBondContact O-N 3.32Å
27	K	91.9	Very high	90.2	Very high	91 Å²	91	103.1 Å²	103.1	40%	0.396	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-40.6	-178.8	-175.6	55.1	-179.4	143.9	0	112.4	F23 L24 D30 D31	F23-K27 HydrophobicContact CE1-CB 4.44Å; F23-K27 WeakPolarHBondContact O-CB 3.41Å; F23-K27 PolarHBondContact O-N 3.44Å; L24-K27 PolarHBondContact O-N 2.95Å; K27-D30 PolarHBondContact O-N 3.46Å; K27-D31 WeakPolarHBondContact CE-OD1 3.47Å; K27-D31 IonicContact NZ-OD1 3.93Å; K27-D31 PolarHBondContact NZ-OD1 3.4Å; K27-D31 IonicContact NZ-OD2 3.22Å; K27-D31 WeakPolarHBondContact O-CB 3.47Å; K27-D31 VanDerWaalsContact O-CG 3.24Å; K27-D31 PolarHBondContact O-N 2.98Å
28	L	92.3	Very high	89.5	Confident	121 Å²	121	104.5 Å²	104.5	63%	0.634	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-40.7	174	-74	170.2	0	0	0	112.2	L24 Q26 D31 E32	L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 2.85Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 3.27Å; L28-D31 PolarHBondContact O-N 2.71Å; L28-E32 WeakPolarHBondContact O-CB 3.43Å; L28-E32 PolarHBondContact O-N 2.97Å
29	A	90.8	Very high	88.7	Confident	49 Å²	49	104.6 Å²	104.6	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-39.5	176.1	0	0	0	0	0	112.3	K25 Q26 E32 L33	K25-A29 PolarHBondContact O-N 3.16Å; K25-A29 VanDerWaalsContact O-N 3.16Å; Q26-A29 PolarHBondContact O-N 3.16Å; Q26-A29 VanDerWaalsContact O-N 3.16Å; A29-E32 PolarHBondContact O-N 3.4Å; A29-L33 WeakPolarHBondContact O-CB 3.44Å; A29-L33 PolarHBondContact O-N 3.03Å
30	D	89.4	Confident	87.8	Confident	69 Å²	69	100.1 Å²	100.1	37%	0.369	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-41.5	175.3	-66.3	-12.8	0	0	0	111.2	Q26 K27 L33 D34	Q26-D30 PolarHBondContact NE2-OD1 2.84Å; Q26-D30 VanDerWaalsContact O-CG 3.28Å; Q26-D30 PolarHBondContact O-N 3.32Å; K27-D30 PolarHBondContact O-N 3.46Å; D30-L33 PolarHBondContact O-N 3.41Å; D30-D34 WeakPolarHBondContact O-CB 3.48Å; D30-D34 PolarHBondContact O-N 2.99Å
31	D	90.3	Very high	86.9	Confident	68 Å²	68	102.4 Å²	102.4	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-67.6	-36.5	178.1	-71	-13.7	0	0	0	111.9	K27 L28 D34 V35	K27-D31 WeakPolarHBondContact CE-OD1 3.47Å; K27-D31 IonicContact NZ-OD1 3.93Å; K27-D31 PolarHBondContact NZ-OD1 3.4Å; K27-D31 IonicContact NZ-OD2 3.22Å; K27-D31 WeakPolarHBondContact O-CB 3.47Å; K27-D31 VanDerWaalsContact O-CG 3.24Å; K27-D31 PolarHBondContact O-N 2.98Å; L28-D31 PolarHBondContact O-N 2.71Å; D31-D34 PolarHBondContact O-N 3.17Å; D31-V35 WeakPolarHBondContact O-CG2 3.3Å; D31-V35 PolarHBondContact O-N 2.89Å; D31-V35 VanDerWaalsContact O-N 3.08Å
32	E	89.1	Confident	86	Confident	128 Å²	128	101 Å²	101	60%	0.598	51%	0.51	S	S	*	.	H	α-helix	trans	-65.5	-45	174	-173.4	169.2	-159.7	0	0	111.5	L28 A29 D34 V35 E36	L28-E32 WeakPolarHBondContact O-CB 3.43Å; L28-E32 PolarHBondContact O-N 2.97Å; A29-E32 PolarHBondContact O-N 3.4Å; E32-D34 VanDerWaalsContact C-N 3.31Å; E32-D34 PolarHBondContact O-N 3.08Å; E32-V35 PolarHBondContact O-N 3.32Å; E32-E36 PolarHBondContact O-N 3.48Å
33	L	87.8	Confident	85.2	Confident	93 Å²	93	100.3 Å²	100.3	49%	0.487	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-40.7	174.4	-176.3	66.9	0	0	0	111.8	A29 D30 V35 E36 L37	A29-L33 WeakPolarHBondContact O-CB 3.44Å; A29-L33 PolarHBondContact O-N 3.03Å; D30-L33 PolarHBondContact O-N 3.41Å; L33-V35 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.43Å; L33-E36 PolarHBondContact O-N 2.95Å; L33-L37 HydrophobicContact CG-CD1 4.18Å; L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.48Å; L33-L37 PolarHBondContact O-N 3.42Å
34	D	86	Confident	84.4	Confident	73 Å²	73	98.2 Å²	98.2	39%	0.39	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-39	175.8	-98.5	6.7	0	0	0	112.3	D30 D31 E32 R38	D30-D34 WeakPolarHBondContact O-CB 3.48Å; D30-D34 PolarHBondContact O-N 2.99Å; D31-D34 PolarHBondContact O-N 3.17Å; E32-D34 VanDerWaalsContact C-N 3.31Å; E32-D34 PolarHBondContact O-N 3.08Å; D34-R38 WeakPolarHBondContact O-CB 3.28Å; D34-R38 VanDerWaalsContact O-CG 3.24Å; D34-R38 WeakPolarHBondContact O-CG 3.32Å; D34-R38 PolarHBondContact O-N 3.36Å; D34-R38 IonicContact OD2-NH2 3.45Å
35	V	86.1	Confident	83.7	Confident	94 Å²	94	97.1 Å²	97.1	57%	0.57	49%	0.494	S	S	*	.	H	α-helix	trans	-66.4	-43.5	175.2	170.3	0	0	0	0	110.9	D31 E32 L33 R38 S39	D31-V35 WeakPolarHBondContact O-CG2 3.3Å; D31-V35 PolarHBondContact O-N 2.89Å; D31-V35 VanDerWaalsContact O-N 3.08Å; E32-V35 PolarHBondContact O-N 3.32Å; L33-V35 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.43Å; V35-R38 PolarHBondContact O-N 2.89Å; V35-S39 VanDerWaalsContact O-CB 3.32Å; V35-S39 WeakPolarHBondContact O-CB 3.42Å; V35-S39 PolarHBondContact O-N 3.41Å
36	E	85.3	Confident	83.1	Confident	123 Å²	123	94.1 Å²	94.1	58%	0.575	48%	0.482	S	S	*	.	H	α-helix	trans	-61.8	-44.9	175.4	-71.9	-169.4	161.1	0	0	111.9	E32 L33 S39 A40	E32-E36 PolarHBondContact O-N 3.48Å; L33-E36 PolarHBondContact O-N 2.95Å; E36-S39 PolarHBondContact O-N 2.96Å; E36-A40 VanDerWaalsContact O-CB 3.28Å; E36-A40 WeakPolarHBondContact O-CB 3.24Å; E36-A40 PolarHBondContact O-N 2.81Å
37	L	81.4	Confident	82.6	Confident	103 Å²	103	95.8 Å²	95.8	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-63.1	-42.1	177.7	-74.7	172.3	0	0	0	112	L33 A40 W41	L33-L37 HydrophobicContact CG-CD1 4.18Å; L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.48Å; L33-L37 PolarHBondContact O-N 3.42Å; L37-A40 PolarHBondContact O-N 2.92Å; L37-W41 VanDerWaalsContact O-CB 3.29Å; L37-W41 WeakPolarHBondContact O-CB 3.3Å; L37-W41 PolarHBondContact O-N 2.93Å
38	R	74	Confident	82.1	Confident	158 Å²	158	99.8 Å²	99.8	60%	0.596	50%	0.496	S	S	*	.	H	α-helix	trans	-64.8	-45.8	175.3	-74.5	175.2	-167.3	175.4	10	111.5	D34 V35 A40 W41 E42	D34-R38 WeakPolarHBondContact O-CB 3.28Å; D34-R38 VanDerWaalsContact O-CG 3.24Å; D34-R38 WeakPolarHBondContact O-CG 3.32Å; D34-R38 PolarHBondContact O-N 3.36Å; D34-R38 IonicContact OD2-NH2 3.45Å; V35-R38 PolarHBondContact O-N 2.89Å; R38-A40 PolarHBondContact O-N 3.48Å; R38-W41 PolarHBondContact O-N 3.49Å; R38-E42 WeakPolarHBondContact O-CB 3.21Å; R38-E42 WeakPolarHBondContact O-CG 3.46Å; R38-E42 PolarHBondContact O-N 3.42Å
39	S	75.7	Confident	81.9	Confident	59 Å²	59	96.9 Å²	96.9	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-60.4	-45	176	179.8	0	0	0	0	111.4	V35 E36 W41 E42 N43	V35-S39 VanDerWaalsContact O-CB 3.32Å; V35-S39 WeakPolarHBondContact O-CB 3.42Å; V35-S39 PolarHBondContact O-N 3.41Å; E36-S39 PolarHBondContact O-N 2.96Å; S39-W41 VanDerWaalsContact C-N 3.34Å; S39-W41 PolarHBondContact O-N 2.83Å; S39-E42 PolarHBondContact O-N 3.46Å; S39-N43 WeakPolarHBondContact O-CB 3.39Å; S39-N43 PolarHBondContact O-N 3.23Å; S39-N43 PolarHBondContact O-ND2 2.82Å; S39-N43 PolarHBondContact OG-ND2 2.89Å
40	A	73.4	Confident	81.7	Confident	59 Å²	59	99.1 Å²	99.1	49%	0.488	49%	0.49	S	S	.	.	H	α-helix	trans	-62.2	-41.2	176	0	0	0	0	0	111.9	E36 L37 R38 C44	E36-A40 VanDerWaalsContact O-CB 3.28Å; E36-A40 WeakPolarHBondContact O-CB 3.24Å; E36-A40 PolarHBondContact O-N 2.81Å; L37-A40 PolarHBondContact O-N 2.92Å; R38-A40 PolarHBondContact O-N 3.48Å; A40-C44 VanDerWaalsContact O-CB 3.3Å; A40-C44 WeakPolarHBondContact O-CB 3.29Å; A40-C44 PolarHBondContact O-N 3.47Å
41	W	71.1	Confident	81.8	Confident	176 Å²	176	98.3 Å²	98.3	67%	0.667	48%	0.484	S	S	*	.	H	α-helix	trans	-65.4	-49.8	176.7	178.5	-93.7	0	0	0	112.5	L37 R38 S39 N43 C44 V45	L37-W41 VanDerWaalsContact O-CB 3.29Å; L37-W41 WeakPolarHBondContact O-CB 3.3Å; L37-W41 PolarHBondContact O-N 2.93Å; R38-W41 PolarHBondContact O-N 3.49Å; S39-W41 VanDerWaalsContact C-N 3.34Å; S39-W41 PolarHBondContact O-N 2.83Å; W41-N43 VanDerWaalsContact C-N 3.33Å; W41-N43 PolarHBondContact O-N 2.89Å; W41-C44 WeakPolarHBondContact O-CA 2.88Å; W41-C44 WeakPolarHBondContact O-CB 3.46Å; W41-C44 PolarHBondContact O-N 2.96Å; W41-C44 VanDerWaalsContact O-N 3.08Å; W41-V45 HydrophobicContact CZ2-CG2 4.41Å; W41-V45 WeakPolarHBondContact O-CG2 3.24Å; W41-V45 PolarHBondContact O-N 2.69Å
42	E	74.2	Confident	81.8	Confident	115 Å²	115	97.9 Å²	97.9	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-44.5	177.7	-74.5	178.3	-176.1	0	0	111.1	R38 S39 C44 V45 Q46	R38-E42 WeakPolarHBondContact O-CB 3.21Å; R38-E42 WeakPolarHBondContact O-CG 3.46Å; R38-E42 PolarHBondContact O-N 3.42Å; S39-E42 PolarHBondContact O-N 3.46Å; E42-C44 VanDerWaalsContact C-N 3.3Å; E42-C44 PolarHBondContact O-N 3.19Å; E42-V45 PolarHBondContact O-N 3.01Å; E42-Q46 WeakPolarHBondContact O-CB 3.49Å; E42-Q46 VanDerWaalsContact O-CG 3.29Å; E42-Q46 WeakPolarHBondContact O-CG 3.34Å; E42-Q46 PolarHBondContact O-N 3.34Å
43	N	76.9	Confident	82.1	Confident	66 Å²	66	97.1 Å²	97.1	35%	0.353	49%	0.486	S	S	.	.	H	α-helix	trans	-59.4	-40.8	173.5	-78.1	-44.1	0	0	0	111.8	S39 W41 R47	S39-N43 WeakPolarHBondContact O-CB 3.39Å; S39-N43 PolarHBondContact O-N 3.23Å; S39-N43 PolarHBondContact O-ND2 2.82Å; S39-N43 PolarHBondContact OG-ND2 2.89Å; W41-N43 VanDerWaalsContact C-N 3.33Å; W41-N43 PolarHBondContact O-N 2.89Å; N43-R47 VanDerWaalsContact O-CB 3.31Å; N43-R47 WeakPolarHBondContact O-CB 3.15Å; N43-R47 WeakPolarHBondContact O-CG 3.24Å; N43-R47 PolarHBondContact O-N 2.65Å
44	C	77.3	Confident	82.4	Confident	47 Å²	47	92.8 Å²	92.8	32%	0.318	46%	0.464	S	S	.	.	H	α-helix	trans	-63.5	-47.5	176	-176.4	0	0	0	0	111.9	A40 W41 E42 R47 R48	A40-C44 VanDerWaalsContact O-CB 3.3Å; A40-C44 WeakPolarHBondContact O-CB 3.29Å; A40-C44 PolarHBondContact O-N 3.47Å; W41-C44 WeakPolarHBondContact O-CA 2.88Å; W41-C44 WeakPolarHBondContact O-CB 3.46Å; W41-C44 PolarHBondContact O-N 2.96Å; W41-C44 VanDerWaalsContact O-N 3.08Å; E42-C44 VanDerWaalsContact C-N 3.3Å; E42-C44 PolarHBondContact O-N 3.19Å; C44-R47 PolarHBondContact O-N 3.18Å; C44-R48 WeakPolarHBondContact O-CB 3.28Å; C44-R48 WeakPolarHBondContact O-CG 3.4Å; C44-R48 PolarHBondContact O-N 3.35Å
45	V	79.8	Confident	82.8	Confident	72 Å²	72	91 Å²	91	44%	0.436	46%	0.455	S	S	.	.	H	α-helix	trans	-61.7	-47.1	178.3	172.5	0	0	0	0	110.8	W41 E42 R47 R48 A49	W41-V45 HydrophobicContact CZ2-CG2 4.41Å; W41-V45 WeakPolarHBondContact O-CG2 3.24Å; W41-V45 PolarHBondContact O-N 2.69Å; E42-V45 PolarHBondContact O-N 3.01Å; V45-R47 PolarHBondContact O-N 2.9Å; V45-R48 PolarHBondContact O-N 3.08Å; V45-A49 WeakPolarHBondContact O-CB 3.25Å; V45-A49 PolarHBondContact O-N 2.93Å
46	Q	81.6	Confident	83.3	Confident	103 Å²	103	94 Å²	94	48%	0.481	46%	0.46	S	S	.	.	H	α-helix	trans	-62.7	-42.7	178	-71	179.8	10.7	0	0	112.1	E42 A49 K50	E42-Q46 WeakPolarHBondContact O-CB 3.49Å; E42-Q46 VanDerWaalsContact O-CG 3.29Å; E42-Q46 WeakPolarHBondContact O-CG 3.34Å; E42-Q46 PolarHBondContact O-N 3.34Å; Q46-A49 PolarHBondContact O-N 3.24Å; Q46-K50 WeakPolarHBondContact O-CB 3.45Å; Q46-K50 WeakPolarHBondContact O-CG 3.38Å; Q46-K50 PolarHBondContact O-N 2.96Å
47	R	79.7	Confident	83.9	Confident	145 Å²	145	91.6 Å²	91.6	55%	0.547	45%	0.446	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.3	-75.7	174.4	-170.4	-171.7	4.2	111.6	N43 C44 V45 K50 F51 Y127	N43-R47 VanDerWaalsContact O-CB 3.31Å; N43-R47 WeakPolarHBondContact O-CB 3.15Å; N43-R47 WeakPolarHBondContact O-CG 3.24Å; N43-R47 PolarHBondContact O-N 2.65Å; C44-R47 PolarHBondContact O-N 3.18Å; V45-R47 PolarHBondContact O-N 2.9Å; R47-K50 PolarHBondContact O-N 2.94Å; R47-F51 WeakPolarHBondContact O-CB 3.35Å; R47-F51 PolarHBondContact O-N 3.37Å; R47-Y127 HydrophobicContact CB-CE1 4.19Å; R47-Y127 HydrophobicContact CG-CE1 4.37Å; R47-Y127 PolarHBondContact O-OH 3.39Å
48	R	82.5	Confident	84.7	Confident	174 Å²	174	86.7 Å²	86.7	66%	0.657	42%	0.421	S	S	*	.	H	α-helix	trans	-64.1	-41.7	176.3	-75.1	177	174.4	-177.9	0.3	112.2	C44 V45 F51 A52	C44-R48 WeakPolarHBondContact O-CB 3.28Å; C44-R48 WeakPolarHBondContact O-CG 3.4Å; C44-R48 PolarHBondContact O-N 3.35Å; V45-R48 PolarHBondContact O-N 3.08Å; R48-F51 PolarHBondContact O-N 3.44Å; R48-A52 WeakPolarHBondContact O-CB 3.31Å; R48-A52 PolarHBondContact O-N 2.99Å
49	A	86.9	Confident	85.8	Confident	60 Å²	60	82.8 Å²	82.8	50%	0.496	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-45.2	176.7	0	0	0	0	0	111.6	V45 Q46 A52 Q53	V45-A49 WeakPolarHBondContact O-CB 3.25Å; V45-A49 PolarHBondContact O-N 2.93Å; Q46-A49 PolarHBondContact O-N 3.24Å; A49-A52 PolarHBondContact O-N 3.15Å; A49-Q53 PolarHBondContact O-N 3.44Å
50	K	88.3	Confident	86.9	Confident	96 Å²	96	83 Å²	83	42%	0.417	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-46.2	174	-72.2	177.4	-177.4	-179.7	0	111.4	Q46 R47 A52 Q53 E54	Q46-K50 WeakPolarHBondContact O-CB 3.45Å; Q46-K50 WeakPolarHBondContact O-CG 3.38Å; Q46-K50 PolarHBondContact O-N 2.96Å; R47-K50 PolarHBondContact O-N 2.94Å; K50-A52 VanDerWaalsContact C-N 3.33Å; K50-A52 PolarHBondContact O-N 2.88Å; K50-Q53 WeakPolarHBondContact O-CB 3.35Å; K50-Q53 PolarHBondContact O-N 3.27Å; K50-E54 WeakPolarHBondContact O-CG 3.46Å; K50-E54 PolarHBondContact O-N 2.88Å
51	F	90.1	Very high	88.1	Confident	52 Å²	52	80.1 Å²	80.1	23%	0.228	38%	0.381	C	S	.	.	H	α-helix	trans	-57.6	-47.1	176.3	-171.9	-123.2	0	0	0	111.7	R47 R48 Q53 E54 V55 T119 L122 Q123 Y127	R47-F51 WeakPolarHBondContact O-CB 3.35Å; R47-F51 PolarHBondContact O-N 3.37Å; R48-F51 PolarHBondContact O-N 3.44Å; F51-Q53 VanDerWaalsContact C-N 3.28Å; F51-Q53 PolarHBondContact O-N 2.89Å; F51-E54 PolarHBondContact O-N 3.31Å; F51-V55 HydrophobicContact CD1-CG2 4.11Å; F51-V55 HydrophobicContact CD2-CG2 4.18Å; F51-V55 HydrophobicContact CE1-CG2 3.82Å; F51-V55 HydrophobicContact CE2-CG2 3.94Å; F51-V55 HydrophobicContact CG-CG2 4.3Å; F51-V55 HydrophobicContact CZ-CG2 3.75Å; F51-V55 WeakPolarHBondContact O-CB 3.48Å; F51-V55 VanDerWaalsContact O-CG2 3.26Å; F51-V55 WeakPolarHBondContact O-CG2 3.17Å; F51-V55 PolarHBondContact O-N 3.2Å; F51-T119 HydrophobicContact CZ-CG2 4.3Å; F51-L122 HydrophobicContact CD2-CD2 3.68Å; F51-L122 HydrophobicContact CD2-CG 4.39Å; F51-L122 HydrophobicContact CE2-CD2 3.64Å; F51-L122 HydrophobicContact CE2-CG 4.27Å; F51-Q123 HydrophobicContact CE2-CG 3.89Å; F51-Q123 HydrophobicContact CZ-CG 4.1Å; F51-Y127 VanDerWaalsContact CA-OH 3.25Å; F51-Y127 WeakPolarHBondContact CA-OH 3.38Å; F51-Y127 HydrophobicContact CB-CE2 4.23Å; F51-Y127 WeakPolarHBondContact CB-OH 3.32Å; F51-Y127 AromaticContact CD2-CE2 3.47Å; F51-Y127 HydrophobicContact CD2-CE2 3.47Å; F51-Y127 VanDerWaalsContact CD2-CE2 3.47Å; F51-Y127 HydrophobicContact CE2-CE2 4.09Å; F51-Y127 HydrophobicContact CG-CE2 4.09Å; F51-Y127 PolarHBondContact N-OH 3.01Å
52	A	91.5	Very high	89.4	Confident	60 Å²	60	72.2 Å²	72.2	50%	0.496	35%	0.351	S	S	.	.	H	α-helix	trans	-61.8	-37.8	179.9	0	0	0	0	0	111.8	R48 A49 K50 K56	R48-A52 WeakPolarHBondContact O-CB 3.31Å; R48-A52 PolarHBondContact O-N 2.99Å; A49-A52 PolarHBondContact O-N 3.15Å; K50-A52 VanDerWaalsContact C-N 3.33Å; K50-A52 PolarHBondContact O-N 2.88Å; A52-K56 WeakPolarHBondContact O-CB 3.44Å; A52-K56 PolarHBondContact O-N 3.27Å
53	Q	93.8	Very high	90.5	Very high	112 Å²	112	70.2 Å²	70.2	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-66	-44.9	175	-170.8	-179.2	4.8	0	0	111.8	A49 K50 F51 K56 R57	A49-Q53 PolarHBondContact O-N 3.44Å; K50-Q53 WeakPolarHBondContact O-CB 3.35Å; K50-Q53 PolarHBondContact O-N 3.27Å; F51-Q53 VanDerWaalsContact C-N 3.28Å; F51-Q53 PolarHBondContact O-N 2.89Å; Q53-K56 PolarHBondContact O-N 2.79Å; Q53-R57 WeakPolarHBondContact O-CB 3.29Å; Q53-R57 PolarHBondContact O-N 2.76Å
54	E	94.9	Very high	91.5	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.009	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-41.5	176.9	-68.1	161.8	171.5	0	0	110.8	K50 F51 R57 I58 L122 Y127 C167 R168	K50-E54 WeakPolarHBondContact O-CG 3.46Å; K50-E54 PolarHBondContact O-N 2.88Å; F51-E54 PolarHBondContact O-N 3.31Å; E54-R57 WeakPolarHBondContact O-CB 3.41Å; E54-R57 PolarHBondContact O-N 3.42Å; E54-I58 WeakPolarHBondContact O-CG1 3.24Å; E54-I58 PolarHBondContact O-N 3.21Å; E54-L122 HydrophobicContact CB-CD1 4.24Å; E54-L122 HydrophobicContact CB-CD2 3.46Å; E54-L122 VanDerWaalsContact CB-CD2 3.46Å; E54-L122 HydrophobicContact CB-CG 4.46Å; E54-L122 HydrophobicContact CG-CD1 4.41Å; E54-L122 HydrophobicContact CG-CD2 4.38Å; E54-L122 WeakPolarHBondContact OE2-CD2 3.44Å; E54-Y127 PolarHBondContact OE2-OH 3.45Å; E54-C167 HydrophobicContact CG-CB 3.89Å; E54-R168 IonicContact OE1-CZ 2.65Å; E54-R168 IonicContact OE1-NE 3.46Å; E54-R168 PolarHBondContact OE1-NE 3.32Å; E54-R168 IonicContact OE1-NH2 2.66Å; E54-R168 PolarHBondContact OE1-NH2 3.02Å
55	V	94.8	Very high	92.5	Very high	34 Å²	34	65.5 Å²	65.5	21%	0.206	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-44.2	174.4	172.7	0	0	0	0	111.7	F51 R57 I58 M59 T119	F51-V55 HydrophobicContact CD1-CG2 4.11Å; F51-V55 HydrophobicContact CD2-CG2 4.18Å; F51-V55 HydrophobicContact CE1-CG2 3.82Å; F51-V55 HydrophobicContact CE2-CG2 3.94Å; F51-V55 HydrophobicContact CG-CG2 4.3Å; F51-V55 HydrophobicContact CZ-CG2 3.75Å; F51-V55 WeakPolarHBondContact O-CB 3.48Å; F51-V55 VanDerWaalsContact O-CG2 3.26Å; F51-V55 WeakPolarHBondContact O-CG2 3.17Å; F51-V55 PolarHBondContact O-N 3.2Å; V55-R57 PolarHBondContact O-N 3.19Å; V55-I58 WeakPolarHBondContact O-CB 3.34Å; V55-I58 PolarHBondContact O-N 2.98Å; V55-I58 VanDerWaalsContact O-N 3.16Å; V55-M59 WeakPolarHBondContact O-CG 3.09Å; V55-M59 PolarHBondContact O-N 3Å; V55-T119 HydrophobicContact CG2-CG2 3.94Å
56	K	96.9	Very high	93.3	Very high	158 Å²	158	64.7 Å²	64.7	69%	0.687	31%	0.305	S	S	*	.	H	α-helix	trans	-58	-41.6	175.1	-179.1	-178.7	176.1	-176.5	0	110.9	A52 Q53 M59 E60	A52-K56 WeakPolarHBondContact O-CB 3.44Å; A52-K56 PolarHBondContact O-N 3.27Å; Q53-K56 PolarHBondContact O-N 2.79Å; K56-M59 WeakPolarHBondContact O-CB 3.35Å; K56-M59 PolarHBondContact O-N 2.88Å; K56-E60 PolarHBondContact O-N 3.17Å
57	R	97.1	Very high	94.1	Very high	73 Å²	73	66.2 Å²	66.2	28%	0.275	31%	0.311	S	S	.	.	H	α-helix	trans	-66.9	-38.4	176.7	-171.9	74.3	98.6	174.5	8.6	112.2	Q53 E54 V55 M59 E60 L61 A163 Y200	Q53-R57 WeakPolarHBondContact O-CB 3.29Å; Q53-R57 PolarHBondContact O-N 2.76Å; E54-R57 WeakPolarHBondContact O-CB 3.41Å; E54-R57 PolarHBondContact O-N 3.42Å; V55-R57 PolarHBondContact O-N 3.19Å; R57-M59 VanDerWaalsContact C-N 3.32Å; R57-M59 PolarHBondContact O-N 2.88Å; R57-E60 WeakPolarHBondContact CD-OE2 3.46Å; R57-E60 IonicContact NH1-OE1 3.82Å; R57-E60 IonicContact NH1-OE2 3.86Å; R57-E60 PolarHBondContact NH1-OE2 3.09Å; R57-E60 WeakPolarHBondContact O-CB 3.36Å; R57-E60 PolarHBondContact O-N 3.11Å; R57-L61 HydrophobicContact CG-CD1 4.31Å; R57-L61 WeakPolarHBondContact O-CB 3.44Å; R57-L61 WeakPolarHBondContact O-CG 3.39Å; R57-L61 PolarHBondContact O-N 3.26Å; R57-A163 HydrophobicContact CB-CB 3.84Å; R57-A163 HydrophobicContact CG-CB 3.69Å; R57-Y200 VanDerWaalsContact CD-OH 3.25Å; R57-Y200 WeakPolarHBondContact CD-OH 3.2Å; R57-Y200 PolarHBondContact NH1-OH 3.29Å
58	I	98.1	Very high	94.9	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-44.9	171.8	-71	163.2	0	0	0	110.6	E54 V55 E60 L61 Y62 I115 L122 A160 A163	E54-I58 WeakPolarHBondContact O-CG1 3.24Å; E54-I58 PolarHBondContact O-N 3.21Å; V55-I58 WeakPolarHBondContact O-CB 3.34Å; V55-I58 PolarHBondContact O-N 2.98Å; V55-I58 VanDerWaalsContact O-N 3.16Å; I58-E60 VanDerWaalsContact C-N 3.31Å; I58-E60 PolarHBondContact O-N 3.07Å; I58-L61 PolarHBondContact O-N 2.85Å; I58-Y62 VanDerWaalsContact O-CB 3.3Å; I58-Y62 WeakPolarHBondContact O-CB 3.3Å; I58-Y62 PolarHBondContact O-N 2.8Å; I58-I115 HydrophobicContact CG2-CD1 3.93Å; I58-L122 HydrophobicContact CD1-CD2 4.06Å; I58-A160 HydrophobicContact CD1-CB 4.29Å; I58-A163 HydrophobicContact CG1-CB 3.68Å
59	M	97.8	Very high	95.5	Very high	75 Å²	75	53.7 Å²	53.7	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-38.1	178.3	-66.5	-64.8	-61	0	0	112.2	V55 K56 R57 I115	V55-M59 WeakPolarHBondContact O-CG 3.09Å; V55-M59 PolarHBondContact O-N 3Å; K56-M59 WeakPolarHBondContact O-CB 3.35Å; K56-M59 PolarHBondContact O-N 2.88Å; R57-M59 VanDerWaalsContact C-N 3.32Å; R57-M59 PolarHBondContact O-N 2.88Å; M59-I115 HydrophobicContact CG-CD1 4.5Å; M59-I115 HydrophobicContact SD-CD1 3.27Å; M59-I115 WeakPolarHBondContact SD-CD1 3.15Å; M59-I115 HydrophobicContact SD-CG1 3.78Å; M59-I115 HydrophobicContact SD-CG2 4.44Å
60	E	97.9	Very high	96	Very high	63 Å²	63	55 Å²	55	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-54.6	172.8	-177	-171.7	162.6	0	0	110.6	K56 R57 I58 Y62 Q63 W196 Y200	K56-E60 PolarHBondContact O-N 3.17Å; R57-E60 WeakPolarHBondContact CD-OE2 3.46Å; R57-E60 IonicContact NH1-OE1 3.82Å; R57-E60 IonicContact NH1-OE2 3.86Å; R57-E60 PolarHBondContact NH1-OE2 3.09Å; R57-E60 WeakPolarHBondContact O-CB 3.36Å; R57-E60 PolarHBondContact O-N 3.11Å; I58-E60 VanDerWaalsContact C-N 3.31Å; I58-E60 PolarHBondContact O-N 3.07Å; E60-Y62 PolarHBondContact O-N 3.16Å; E60-Y62 VanDerWaalsContact O-N 3.13Å; E60-Q63 WeakPolarHBondContact O-CB 3.4Å; E60-Q63 VanDerWaalsContact O-CG 3.28Å; E60-Q63 WeakPolarHBondContact O-CG 3.29Å; E60-Q63 PolarHBondContact O-N 2.95Å; E60-W196 HydrophobicContact CG-CH2 4.01Å; E60-W196 HydrophobicContact CG-CZ2 4.4Å; E60-W196 VanDerWaalsContact O-CZ2 3.23Å; E60-W196 WeakPolarHBondContact O-CZ2 3.48Å; E60-Y200 PolarHBondContact OE1-OH 3.12Å; E60-Y200 PolarHBondContact OE2-OH 3.24Å
61	L	98.2	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-29	-179.9	-73.9	172.8	0	0	0	113.3	R57 I58 P64 A159 L162 A163 F192 W196 Y200	R57-L61 HydrophobicContact CG-CD1 4.31Å; R57-L61 WeakPolarHBondContact O-CB 3.44Å; R57-L61 WeakPolarHBondContact O-CG 3.39Å; R57-L61 PolarHBondContact O-N 3.26Å; I58-L61 PolarHBondContact O-N 2.85Å; L61-P64 WeakPolarHBondContact O-CD 3.34Å; L61-A159 HydrophobicContact CB-CB 4.21Å; L61-A159 HydrophobicContact CD1-CB 4.42Å; L61-A159 WeakPolarHBondContact CD1-O 3.47Å; L61-L162 HydrophobicContact CD1-CB 4.1Å; L61-L162 HydrophobicContact CD1-CD2 4.12Å; L61-L162 HydrophobicContact CD1-CG 4.2Å; L61-L162 HydrophobicContact CD2-CD2 3.86Å; L61-A163 HydrophobicContact CD1-CB 4.07Å; L61-F192 HydrophobicContact CB-CE2 3.96Å; L61-F192 HydrophobicContact CD2-CE2 4.32Å; L61-F192 HydrophobicContact CD2-CZ 4.19Å; L61-W196 HydrophobicContact CD2-CB 4.43Å; L61-W196 HydrophobicContact CD2-CD2 3.97Å; L61-W196 HydrophobicContact CD2-CG 3.85Å; L61-W196 PolarHBondContact O-NE1 3.08Å; L61-Y200 HydrophobicContact CD2-CD1 3.87Å; L61-Y200 HydrophobicContact CD2-CD2 4.01Å; L61-Y200 HydrophobicContact CD2-CE1 3.83Å; L61-Y200 HydrophobicContact CD2-CE2 3.95Å; L61-Y200 HydrophobicContact CD2-CG 4Å; L61-Y200 HydrophobicContact CG-CE1 4.38Å
62	Y	98.2	Very high	96.6	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-73.8	-20.6	177.1	177.2	-121.2	0	0	0	114.3	I58 E60 I65 E66 L69 T110 Y114 I115	I58-Y62 VanDerWaalsContact O-CB 3.3Å; I58-Y62 WeakPolarHBondContact O-CB 3.3Å; I58-Y62 PolarHBondContact O-N 2.8Å; E60-Y62 PolarHBondContact O-N 3.16Å; E60-Y62 VanDerWaalsContact O-N 3.13Å; Y62-I65 HydrophobicContact CD2-CB 3.94Å; Y62-I65 HydrophobicContact CD2-CG2 3.88Å; Y62-I65 HydrophobicContact CE2-CB 4.12Å; Y62-I65 HydrophobicContact CE2-CG2 3.56Å; Y62-I65 WeakPolarHBondContact O-CA 3.41Å; Y62-I65 WeakPolarHBondContact O-CB 3.4Å; Y62-I65 PolarHBondContact O-N 3.17Å; Y62-E66 HydrophobicContact CD1-CB 3.92Å; Y62-E66 HydrophobicContact CE1-CB 3.71Å; Y62-E66 HydrophobicContact CE1-CG 4.01Å; Y62-E66 PolarHBondContact O-N 2.99Å; Y62-L69 HydrophobicContact CE2-CD2 4.19Å; Y62-L69 WeakPolarHBondContact OH-CD2 3.39Å; Y62-T110 HydrophobicContact CE2-CG2 3.99Å; Y62-Y114 AromaticContact CD2-CD1 3.37Å; Y62-Y114 HydrophobicContact CD2-CD1 3.37Å; Y62-Y114 AromaticContact CD2-CD2 3.9Å; Y62-Y114 HydrophobicContact CD2-CD2 3.9Å; Y62-Y114 AromaticContact CD2-CE1 3.42Å; Y62-Y114 HydrophobicContact CD2-CE1 3.42Å; Y62-Y114 VanDerWaalsContact CD2-CE1 3.42Å; Y62-Y114 AromaticContact CD2-CE2 3.92Å; Y62-Y114 HydrophobicContact CD2-CE2 3.92Å; Y62-Y114 AromaticContact CD2-CG 3.62Å; Y62-Y114 HydrophobicContact CD2-CG 3.62Å; Y62-Y114 AromaticContact CD2-CZ 3.68Å; Y62-Y114 AromaticContact CE2-CD1 3.75Å; Y62-Y114 HydrophobicContact CE2-CD1 3.75Å; Y62-Y114 AromaticContact CE2-CD2 3.84Å; Y62-Y114 HydrophobicContact CE2-CD2 3.84Å; Y62-Y114 HydrophobicContact CE2-CE1 4.22Å; Y62-Y114 HydrophobicContact CE2-CE2 4.29Å; Y62-Y114 AromaticContact CE2-CG 3.53Å; Y62-Y114 HydrophobicContact CE2-CG 3.53Å; Y62-Y114 AromaticContact CG-CD1 3.95Å; Y62-Y114 HydrophobicContact CG-CD1 3.95Å; Y62-Y114 AromaticContact CG-CE1 3.91Å; Y62-Y114 HydrophobicContact CG-CE1 3.91Å; Y62-I115 HydrophobicContact CD1-CD1 4.31Å; Y62-I115 HydrophobicContact CG-CD1 4.45Å
63	Q	98	Very high	96.8	Very high	73 Å²	73	51.3 Å²	51.3	34%	0.341	25%	0.251	S	S	.	.	H	α-helix	trans	-47.5	-48.3	-175.6	-77.3	-65.2	-51.2	0	0	116.2	E60 I65 E66 K67	E60-Q63 WeakPolarHBondContact O-CB 3.4Å; E60-Q63 VanDerWaalsContact O-CG 3.28Å; E60-Q63 WeakPolarHBondContact O-CG 3.29Å; E60-Q63 PolarHBondContact O-N 2.95Å; Q63-I65 VanDerWaalsContact C-N 3.28Å; Q63-I65 PolarHBondContact O-N 3.07Å; Q63-E66 PolarHBondContact NE2-OE2 2.98Å; Q63-E66 PolarHBondContact O-N 2.82Å; Q63-K67 WeakPolarHBondContact O-CG 3.34Å; Q63-K67 PolarHBondContact O-N 2.88Å
64	P	97.8	Very high	96.9	Very high	13 Å²	13	54.5 Å²	54.5	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-35.2	178.2	23.7	-35.4	0	0	0	113	L61 L68 A191 Q195	L61-P64 WeakPolarHBondContact O-CD 3.34Å; P64-L68 PolarHBondContact O-N 3.16Å; P64-A191 HydrophobicContact CB-CB 4.36Å; P64-A191 WeakPolarHBondContact CB-O 3.41Å; P64-Q195 HydrophobicContact CB-CB 3.88Å; P64-Q195 HydrophobicContact CB-CG 4.22Å; P64-Q195 HydrophobicContact CG-CB 3.85Å; P64-Q195 HydrophobicContact CG-CG 4.05Å
65	I	98.3	Very high	96.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-71.1	-42.3	175.6	-70.3	168.7	0	0	0	110.5	Y62 Q63 K67 L68 L69 T110 Y114 P154 Y188 F192	Y62-I65 HydrophobicContact CD2-CB 3.94Å; Y62-I65 HydrophobicContact CD2-CG2 3.88Å; Y62-I65 HydrophobicContact CE2-CB 4.12Å; Y62-I65 HydrophobicContact CE2-CG2 3.56Å; Y62-I65 WeakPolarHBondContact O-CA 3.41Å; Y62-I65 WeakPolarHBondContact O-CB 3.4Å; Y62-I65 PolarHBondContact O-N 3.17Å; Q63-I65 VanDerWaalsContact C-N 3.28Å; Q63-I65 PolarHBondContact O-N 3.07Å; I65-K67 VanDerWaalsContact C-N 3.28Å; I65-K67 PolarHBondContact O-N 3Å; I65-L68 WeakPolarHBondContact O-CB 3.49Å; I65-L68 PolarHBondContact O-N 3.21Å; I65-L68 VanDerWaalsContact O-N 3.1Å; I65-L69 HydrophobicContact CG2-CD2 4.25Å; I65-L69 PolarHBondContact O-N 3.27Å; I65-T110 HydrophobicContact CG2-CG2 3.69Å; I65-Y114 HydrophobicContact CD1-CE2 3.69Å; I65-P154 WeakPolarHBondContact CD1-O 3.43Å; I65-Y188 WeakPolarHBondContact CG1-O 3.48Å; I65-Y188 HydrophobicContact CG2-CD1 3.69Å; I65-Y188 HydrophobicContact CG2-CE1 4.35Å; I65-F192 HydrophobicContact CD1-CB 4.22Å; I65-F192 HydrophobicContact CD1-CD2 4.28Å; I65-F192 HydrophobicContact CG1-CB 4.5Å
66	E	97.9	Very high	96.7	Very high	56 Å²	56	58.3 Å²	58.3	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-40.3	176.6	-173.2	172.3	-128.9	0	0	112.1	Y62 Q63 L68 L69 N70	Y62-E66 HydrophobicContact CD1-CB 3.92Å; Y62-E66 HydrophobicContact CE1-CB 3.71Å; Y62-E66 HydrophobicContact CE1-CG 4.01Å; Y62-E66 PolarHBondContact O-N 2.99Å; Q63-E66 PolarHBondContact NE2-OE2 2.98Å; Q63-E66 PolarHBondContact O-N 2.82Å; E66-L68 PolarHBondContact O-N 3.16Å; E66-L69 WeakPolarHBondContact O-CG 3.35Å; E66-N70 VanDerWaalsContact O-CB 3.3Å; E66-N70 WeakPolarHBondContact O-CB 3.46Å; E66-N70 PolarHBondContact O-N 3.08Å; E66-N70 PolarHBondContact O-ND2 3.25Å
67	K	97.6	Very high	96.4	Very high	135 Å²	135	61.9 Å²	61.9	59%	0.587	30%	0.299	S	S	*	.	H	α-helix	trans	-61.9	-43.1	174.2	-70.6	171.5	-175.4	174.8	0	112	Q63 I65 N70 S71	Q63-K67 WeakPolarHBondContact O-CG 3.34Å; Q63-K67 PolarHBondContact O-N 2.88Å; I65-K67 VanDerWaalsContact C-N 3.28Å; I65-K67 PolarHBondContact O-N 3Å; K67-N70 PolarHBondContact O-N 3.34Å; K67-S71 PolarHBondContact O-N 3.28Å
68	L	96.7	Very high	96.1	Very high	55 Å²	55	66.6 Å²	66.6	29%	0.288	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-48	-179.9	179.1	63.3	0	0	0	112.1	P64 I65 E66 N70 S71 T72 N187 Y188	P64-L68 PolarHBondContact O-N 3.16Å; I65-L68 WeakPolarHBondContact O-CB 3.49Å; I65-L68 PolarHBondContact O-N 3.21Å; I65-L68 VanDerWaalsContact O-N 3.1Å; E66-L68 PolarHBondContact O-N 3.16Å; L68-N70 VanDerWaalsContact C-N 3.33Å; L68-N70 PolarHBondContact O-N 3.09Å; L68-S71 PolarHBondContact O-N 3.32Å; L68-T72 PolarHBondContact O-N 3.49Å; L68-T72 VanDerWaalsContact O-N 3.12Å; L68-T72 PolarHBondContact O-OG1 2.94Å; L68-N187 HydrophobicContact CD2-CB 4.11Å; L68-Y188 HydrophobicContact CD2-CD1 4.31Å; L68-Y188 HydrophobicContact CD2-CD2 4.36Å; L68-Y188 HydrophobicContact CD2-CE1 4.47Å; L68-Y188 HydrophobicContact CD2-CG 4.22Å
69	L	95.8	Very high	95.8	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-33.8	179.1	69.6	88.7	0	0	0	111.7	Y62 I65 E66 S71 T72 L73 A107 T110 R111	Y62-L69 HydrophobicContact CE2-CD2 4.19Å; Y62-L69 WeakPolarHBondContact OH-CD2 3.39Å; I65-L69 HydrophobicContact CG2-CD2 4.25Å; I65-L69 PolarHBondContact O-N 3.27Å; E66-L69 WeakPolarHBondContact O-CG 3.35Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 2.89Å; L69-T72 PolarHBondContact O-N 2.94Å; L69-L73 HydrophobicContact CD1-CD1 3.78Å; L69-L73 WeakPolarHBondContact O-CB 3.41Å; L69-L73 VanDerWaalsContact O-CG 3.24Å; L69-L73 WeakPolarHBondContact O-CG 3.38Å; L69-L73 PolarHBondContact O-N 3.43Å; L69-A107 HydrophobicContact CB-CB 3.93Å; L69-T110 HydrophobicContact CD2-CG2 3.9Å; L69-R111 HydrophobicContact CD1-CB 4.2Å; L69-R111 HydrophobicContact CD1-CG 4.44Å; L69-R111 HydrophobicContact CD2-CB 4.49Å
70	N	96.3	Very high	95.5	Very high	86 Å²	86	75.6 Å²	75.6	46%	0.46	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-39.2	177.3	-78.4	-23	0	0	0	111.4	E66 K67 L68 K74	E66-N70 VanDerWaalsContact O-CB 3.3Å; E66-N70 WeakPolarHBondContact O-CB 3.46Å; E66-N70 PolarHBondContact O-N 3.08Å; E66-N70 PolarHBondContact O-ND2 3.25Å; K67-N70 PolarHBondContact O-N 3.34Å; L68-N70 VanDerWaalsContact C-N 3.33Å; L68-N70 PolarHBondContact O-N 3.09Å; N70-K74 WeakPolarHBondContact O-CB 3.3Å; N70-K74 PolarHBondContact O-N 2.59Å
71	S	95.5	Very high	95.3	Very high	76 Å²	76	72.6 Å²	72.6	53%	0.531	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-45.6	172.8	-172.5	0	0	0	0	112	K67 L68 L69 S75	K67-S71 PolarHBondContact O-N 3.28Å; L68-S71 PolarHBondContact O-N 3.32Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 2.89Å; S71-S75 PolarHBondContact O-N 2.93Å; S71-S75 PolarHBondContact O-OG 3.35Å; S71-S75 VanDerWaalsContact O-OG 3.09Å
72	T	95.9	Very high	95.1	Very high	25 Å²	25	74.1 Å²	74.1	15%	0.153	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-49.1	179.9	-52.6	0	0	0	0	111.2	L68 L69 K74 S75 D76 D103 T104 A107	L68-T72 PolarHBondContact O-N 3.49Å; L68-T72 VanDerWaalsContact O-N 3.12Å; L68-T72 PolarHBondContact O-OG1 2.94Å; L69-T72 PolarHBondContact O-N 2.94Å; T72-K74 PolarHBondContact O-N 3.37Å; T72-S75 WeakPolarHBondContact O-CB 3.08Å; T72-S75 PolarHBondContact O-N 2.89Å; T72-S75 VanDerWaalsContact O-N 3.14Å; T72-D76 PolarHBondContact O-N 3.18Å; T72-D103 HydrophobicContact CG2-CB 4.36Å; T72-T104 HydrophobicContact CG2-CG2 4.39Å; T72-A107 HydrophobicContact CG2-CB 3.81Å
73	L	95.7	Very high	94.8	Very high	30 Å²	30	76.7 Å²	76.7	16%	0.157	37%	0.371	C	S	.	.	H	α-helix	trans	-70.7	-30.7	-177.8	-66.5	175.5	0	0	0	113.1	L69 S75 D76 A107 T108 R111	L69-L73 HydrophobicContact CD1-CD1 3.78Å; L69-L73 WeakPolarHBondContact O-CB 3.41Å; L69-L73 VanDerWaalsContact O-CG 3.24Å; L69-L73 WeakPolarHBondContact O-CG 3.38Å; L69-L73 PolarHBondContact O-N 3.43Å; L73-S75 PolarHBondContact O-N 3.46Å; L73-D76 PolarHBondContact O-N 3.39Å; L73-A107 HydrophobicContact CD2-CB 3.87Å; L73-A107 HydrophobicContact CG-CB 3.92Å; L73-T108 WeakPolarHBondContact CD2-OG1 3.39Å; L73-R111 VanDerWaalsContact CD1-NE 3.33Å
74	K	94.9	Very high	94.6	Very high	180 Å²	180	74.7 Å²	74.7	78%	0.783	36%	0.363	S	S	*	.	H	α-helix	trans	-63.4	-30.1	172.2	-176.4	178.2	179	-178.5	0	111.8	N70 T72	N70-K74 WeakPolarHBondContact O-CB 3.3Å; N70-K74 PolarHBondContact O-N 2.59Å; T72-K74 PolarHBondContact O-N 3.37Å
75	S	92.9	Very high	94.3	Very high	92 Å²	92	75.9 Å²	75.9	64%	0.643	37%	0.366	S	S	*	.	H	α-helix	trans	-81	-19.8	177.1	-54	0	0	0	0	112.6	S71 T72 L73 R77	S71-S75 PolarHBondContact O-N 2.93Å; S71-S75 PolarHBondContact O-OG 3.35Å; S71-S75 VanDerWaalsContact O-OG 3.09Å; T72-S75 WeakPolarHBondContact O-CB 3.08Å; T72-S75 PolarHBondContact O-N 2.89Å; T72-S75 VanDerWaalsContact O-N 3.14Å; L73-S75 PolarHBondContact O-N 3.46Å; S75-R77 VanDerWaalsContact C-N 3.3Å; S75-R77 PolarHBondContact O-N 3.06Å
76	D	93.8	Very high	93.9	Very high	23 Å²	23	83 Å²	83	12%	0.123	39%	0.393	C	S	.	.			trans	-81.6	64.6	177.9	-172.7	22.1	0	0	0	112.6	T72 L73 E78 Q79 R80 G81 T104	T72-D76 PolarHBondContact O-N 3.18Å; L73-D76 PolarHBondContact O-N 3.39Å; D76-E78 PolarHBondContact O-N 3.36Å; D76-Q79 PolarHBondContact O-N 3.04Å; D76-Q79 PolarHBondContact OD1-N 3.28Å; D76-Q79 WeakPolarHBondContact OD2-CA 3.35Å; D76-R80 WeakPolarHBondContact OD1-CB 3.36Å; D76-R80 PolarHBondContact OD1-N 3.31Å; D76-R80 PolarHBondContact OD2-N 2.96Å; D76-R80 VanDerWaalsContact OD2-N 3.11Å; D76-G81 PolarHBondContact OD2-N 2.9Å; D76-T104 HydrophobicContact CB-CG2 3.69Å
77	R	89.5	Confident	93.6	Very high	233 Å²	233	85 Å²	85	88%	0.879	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.2	-174.8	-64.6	-175.8	-176.3	176.8	2.1	113.9	S75 Q79	S75-R77 VanDerWaalsContact C-N 3.3Å; S75-R77 PolarHBondContact O-N 3.06Å; R77-Q79 VanDerWaalsContact C-N 3.28Å
78	E	90.5	Very high	93.1	Very high	172 Å²	172	79.3 Å²	79.3	80%	0.804	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	1.9	-178.9	-63.7	178.7	175.1	0	0	112.7	D76 R80	D76-E78 PolarHBondContact O-N 3.36Å; E78-R80 PolarHBondContact O-N 3.03Å
79	Q	92	Very high	92.5	Very high	119 Å²	119	79 Å²	79	56%	0.556	39%	0.388	S	S	*	.			trans	53.1	38.7	-176	-52.8	-172.5	6.1	0	0	112.5	D76 R77 G81 Q82 S83	D76-Q79 PolarHBondContact O-N 3.04Å; D76-Q79 PolarHBondContact OD1-N 3.28Å; D76-Q79 WeakPolarHBondContact OD2-CA 3.35Å; R77-Q79 VanDerWaalsContact C-N 3.28Å; Q79-G81 VanDerWaalsContact C-N 3.29Å; Q79-G81 PolarHBondContact O-N 3.42Å; Q79-Q82 HydrophobicContact CB-CB 4.13Å; Q79-Q82 PolarHBondContact O-N 3.01Å; Q79-Q82 VanDerWaalsContact O-N 3.16Å; Q79-S83 PolarHBondContact O-N 2.76Å; Q79-S83 PolarHBondContact O-OG 3.43Å
80	R	93.1	Very high	91.8	Very high	146 Å²	146	86 Å²	86	55%	0.551	43%	0.425	S	S	*	.	H	α-helix	trans	-60.9	-41.4	-179.9	-177.4	178.1	175.2	-174.4	-0.5	110.6	D76 E78 Q82 S83 L84	D76-R80 WeakPolarHBondContact OD1-CB 3.36Å; D76-R80 PolarHBondContact OD1-N 3.31Å; D76-R80 PolarHBondContact OD2-N 2.96Å; D76-R80 VanDerWaalsContact OD2-N 3.11Å; E78-R80 PolarHBondContact O-N 3.03Å; R80-Q82 VanDerWaalsContact C-N 3.28Å; R80-Q82 PolarHBondContact O-N 2.88Å; R80-S83 PolarHBondContact O-N 2.98Å; R80-L84 HydrophobicContact CG-CD1 4.1Å; R80-L84 HydrophobicContact CG-CG 4.39Å; R80-L84 WeakPolarHBondContact O-CB 3.47Å; R80-L84 WeakPolarHBondContact O-CG 3.47Å; R80-L84 PolarHBondContact O-N 2.66Å
81	G	92.7	Very high	90.7	Very high	0 Å²	0	84.7 Å²	84.7	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-60	-39	176.7	0	0	0	0	0	112.4	D76 Q79 Y85 T104	D76-G81 PolarHBondContact OD2-N 2.9Å; Q79-G81 VanDerWaalsContact C-N 3.29Å; Q79-G81 PolarHBondContact O-N 3.42Å; G81-Y85 VanDerWaalsContact O-CB 3.28Å; G81-Y85 WeakPolarHBondContact O-CB 3.26Å; G81-Y85 PolarHBondContact O-N 2.82Å; G81-T104 WeakPolarHBondContact CA-OG1 3.16Å; G81-T104 PolarHBondContact N-OG1 3.29Å
82	Q	93.6	Very high	89	Confident	31 Å²	31	91.1 Å²	91.1	15%	0.145	43%	0.432	C	S	.	.	H	α-helix	trans	-70.2	-37.4	177.4	-173.1	57.1	68.2	0	0	112.7	Q79 R80 Y85 R86	Q79-Q82 HydrophobicContact CB-CB 4.13Å; Q79-Q82 PolarHBondContact O-N 3.01Å; Q79-Q82 VanDerWaalsContact O-N 3.16Å; R80-Q82 VanDerWaalsContact C-N 3.28Å; R80-Q82 PolarHBondContact O-N 2.88Å; Q82-Y85 PolarHBondContact O-N 2.92Å; Q82-R86 WeakPolarHBondContact O-CG 3.36Å; Q82-R86 PolarHBondContact O-N 3.39Å; Q82-R86 VanDerWaalsContact O-N 3.14Å
83	S	93.2	Very high	87.4	Confident	63 Å²	63	94.3 Å²	94.3	44%	0.441	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-49.8	175.6	-61.4	0	0	0	0	111	Q79 R80 Y85 R86 E87	Q79-S83 PolarHBondContact O-N 2.76Å; Q79-S83 PolarHBondContact O-OG 3.43Å; R80-S83 PolarHBondContact O-N 2.98Å; S83-Y85 VanDerWaalsContact C-N 3.3Å; S83-Y85 PolarHBondContact O-N 2.78Å; S83-R86 PolarHBondContact O-N 2.87Å; S83-E87 PolarHBondContact O-N 2.84Å; S83-E87 VanDerWaalsContact O-N 3.14Å
84	L	92.2	Very high	85.4	Confident	31 Å²	31	96.5 Å²	96.5	16%	0.162	45%	0.454	C	S	.	.	H	α-helix	trans	-59.7	-38.6	175.1	-69.7	175.7	0	0	0	112.1	R80 R86 E87 W88 Y99 N102 F105	R80-L84 HydrophobicContact CG-CD1 4.1Å; R80-L84 HydrophobicContact CG-CG 4.39Å; R80-L84 WeakPolarHBondContact O-CB 3.47Å; R80-L84 WeakPolarHBondContact O-CG 3.47Å; R80-L84 PolarHBondContact O-N 2.66Å; L84-R86 PolarHBondContact O-N 3.36Å; L84-E87 PolarHBondContact O-N 2.73Å; L84-W88 VanDerWaalsContact O-CB 3.26Å; L84-W88 WeakPolarHBondContact O-CB 3.18Å; L84-W88 PolarHBondContact O-N 2.69Å; L84-Y99 HydrophobicContact CB-CD1 4.04Å; L84-Y99 HydrophobicContact CB-CE1 4.41Å; L84-Y99 HydrophobicContact CD2-CD1 3.93Å; L84-Y99 HydrophobicContact CD2-CE1 3.83Å; L84-Y99 HydrophobicContact CG-CD1 4.47Å; L84-N102 HydrophobicContact CD1-CB 4.15Å; L84-F105 HydrophobicContact CB-CB 4.38Å; L84-F105 HydrophobicContact CB-CD2 3.71Å; L84-F105 HydrophobicContact CB-CG 4.48Å; L84-F105 HydrophobicContact CD1-CB 4.2Å
85	Y	92.1	Very high	83.2	Confident	38 Å²	38	92.8 Å²	92.8	15%	0.149	45%	0.449	C	S	.	.	H	α-helix	trans	-64.6	-37	177	-174.7	-96.4	0	0	0	113.3	G81 Q82 S83 W88 G89 F105 T108 Y109 Q112 R113	G81-Y85 VanDerWaalsContact O-CB 3.28Å; G81-Y85 WeakPolarHBondContact O-CB 3.26Å; G81-Y85 PolarHBondContact O-N 2.82Å; Q82-Y85 PolarHBondContact O-N 2.92Å; S83-Y85 VanDerWaalsContact C-N 3.3Å; S83-Y85 PolarHBondContact O-N 2.78Å; Y85-W88 HydrophobicContact CD2-CE3 4.32Å; Y85-W88 HydrophobicContact CE2-CE3 4.07Å; Y85-W88 HydrophobicContact CE2-CZ3 4.1Å; Y85-G89 PolarHBondContact O-N 2.93Å; Y85-F105 HydrophobicContact CD2-CE2 4.29Å; Y85-T108 HydrophobicContact CD1-CG2 4.41Å; Y85-T108 HydrophobicContact CD2-CG2 4.28Å; Y85-T108 HydrophobicContact CG-CG2 3.87Å; Y85-Y109 HydrophobicContact CE2-CD2 4.1Å; Y85-Q112 HydrophobicContact CD1-CG 4.38Å; Y85-Q112 HydrophobicContact CE1-CB 4.12Å; Y85-Q112 HydrophobicContact CE1-CG 3.88Å; Y85-Q112 HydrophobicContact CE2-CB 4.13Å; Y85-Q112 HydrophobicContact CE2-CG 4.4Å; Y85-Q112 WeakPolarHBondContact OH-CB 3.44Å; Y85-R113 HydrophobicContact CE2-CG 4.48Å
86	R	91.2	Very high	81.9	Confident	150 Å²	150	88.6 Å²	88.6	57%	0.566	42%	0.42	S	S	*	.	H	α-helix	trans	-67.8	-42.9	175.4	-70.8	174.9	-170.1	154.9	3	111.4	Q82 S83 L84 G89 N90	Q82-R86 WeakPolarHBondContact O-CG 3.36Å; Q82-R86 PolarHBondContact O-N 3.39Å; Q82-R86 VanDerWaalsContact O-N 3.14Å; S83-R86 PolarHBondContact O-N 2.87Å; L84-R86 PolarHBondContact O-N 3.36Å; R86-G89 PolarHBondContact O-N 3.37Å; R86-N90 PolarHBondContact O-N 3.39Å; R86-N90 PolarHBondContact O-ND2 3.34Å
87	E	90	Very high	80.6	Confident	100 Å²	100	91.2 Å²	91.2	47%	0.467	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-46.6	176.3	-168.8	-172.9	155.1	0	0	111.6	S83 L84 G89 N90 T91 Y99	S83-E87 PolarHBondContact O-N 2.84Å; S83-E87 VanDerWaalsContact O-N 3.14Å; L84-E87 PolarHBondContact O-N 2.73Å; E87-G89 VanDerWaalsContact C-N 3.3Å; E87-G89 PolarHBondContact O-N 3.35Å; E87-N90 PolarHBondContact O-N 3.05Å; E87-N90 VanDerWaalsContact O-N 3.13Å; E87-T91 PolarHBondContact O-N 2.95Å; E87-T91 PolarHBondContact O-OG1 3.35Å; E87-Y99 HydrophobicContact CB-CE1 4.41Å; E87-Y99 HydrophobicContact CG-CE1 4.41Å; E87-Y99 WeakPolarHBondContact CG-OH 3.46Å; E87-Y99 PolarHBondContact OE1-OH 3.22Å
88	W	87.1	Confident	80	Confident	15 Å²	15	83.7 Å²	83.7	6%	0.057	42%	0.421	C	S	.	.	H	α-helix	trans	-55.8	-43.4	173.6	176.1	96.9	0	0	0	112.1	L84 Y85 N90 T91 K93 L96 Y99 Y100 F105 Y109	L84-W88 VanDerWaalsContact O-CB 3.26Å; L84-W88 WeakPolarHBondContact O-CB 3.18Å; L84-W88 PolarHBondContact O-N 2.69Å; Y85-W88 HydrophobicContact CD2-CE3 4.32Å; Y85-W88 HydrophobicContact CE2-CE3 4.07Å; Y85-W88 HydrophobicContact CE2-CZ3 4.1Å; W88-N90 PolarHBondContact O-N 2.85Å; W88-T91 PolarHBondContact O-N 3.49Å; W88-K93 HydrophobicContact CZ2-CD 4.46Å; W88-L96 HydrophobicContact CD2-CD1 4.08Å; W88-L96 HydrophobicContact CG-CD1 3.73Å; W88-Y99 HydrophobicContact CB-CG 4.48Å; W88-Y100 AromaticContact NE1-CZ 3.88Å; W88-Y100 PolarHBondContact NE1-OH 3.24Å; W88-F105 HydrophobicContact CB-CE2 3.6Å; W88-F105 HydrophobicContact CB-CZ 3.96Å; W88-F105 AromaticContact CD1-CE2 3.92Å; W88-F105 AromaticContact CD1-CZ 3.37Å; W88-F105 HydrophobicContact CD2-CE2 4.44Å; W88-F105 HydrophobicContact CD2-CZ 4.04Å; W88-F105 AromaticContact CG-CE2 3.73Å; W88-F105 HydrophobicContact CG-CE2 3.73Å; W88-F105 AromaticContact CG-CZ 3.54Å; W88-F105 HydrophobicContact CG-CZ 3.54Å; W88-F105 AromaticContact NE1-CZ 3.86Å; W88-Y109 HydrophobicContact CH2-CD2 4.33Å; W88-Y109 AromaticContact CH2-CE2 3.82Å; W88-Y109 HydrophobicContact CH2-CE2 3.82Å; W88-Y109 HydrophobicContact CZ2-CD2 4.36Å; W88-Y109 AromaticContact CZ2-CE2 3.85Å; W88-Y109 HydrophobicContact CZ2-CE2 3.85Å; W88-Y109 HydrophobicContact CZ3-CE2 4.49Å
89	G	84.5	Confident	79.6	Confident	49 Å²	49	77.2 Å²	77.2	51%	0.505	39%	0.389	S	S	.	.	H	α-helix	trans	-66	-23.3	179.4	0	0	0	0	0	114.6	Y85 R86 E87	Y85-G89 PolarHBondContact O-N 2.93Å; R86-G89 PolarHBondContact O-N 3.37Å; E87-G89 VanDerWaalsContact C-N 3.3Å; E87-G89 PolarHBondContact O-N 3.35Å
90	N	81.9	Confident	79.4	Confident	148 Å²	148	72.6 Å²	72.6	79%	0.791	37%	0.367	S	S	*	.	H	α-helix	trans	-94.6	-4.2	179.4	-68.3	-26.3	0	0	0	113.4	R86 E87 W88	R86-N90 PolarHBondContact O-N 3.39Å; R86-N90 PolarHBondContact O-ND2 3.34Å; E87-N90 PolarHBondContact O-N 3.05Å; E87-N90 VanDerWaalsContact O-N 3.13Å; W88-N90 PolarHBondContact O-N 2.85Å
91	T	71.7	Confident	79.2	Confident	58 Å²	58	71.4 Å²	71.4	36%	0.356	37%	0.372	S	S	.	.	S	Bend	trans	-107.4	153	-173.4	-54.9	0	0	0	0	111.2	E87 W88 K93 L96	E87-T91 PolarHBondContact O-N 2.95Å; E87-T91 PolarHBondContact O-OG1 3.35Å; W88-T91 PolarHBondContact O-N 3.49Å; T91-K93 PolarHBondContact O-N 3.02Å; T91-L96 HydrophobicContact CG2-CD2 3.65Å
92	R	61.4	Low	79.2	Confident	210 Å²	210	72.6 Å²	72.6	79%	0.792	38%	0.378	S	S	*	.			trans	-60.5	123.4	170.5	-78.7	-165.8	-174.8	-165.3	2.1	109.8	E94 C95	R92-E94 VanDerWaalsContact C-OE2 3.27Å; R92-E94 WeakPolarHBondContact CB-OE2 3.32Å; R92-E94 PolarHBondContact O-N 3.44Å; R92-C95 PolarHBondContact O-N 3.03Å
93	K	61.1	Low	79.3	Confident	92 Å²	92	75 Å²	75	40%	0.4	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-60.8	-19.7	-168	-69.3	-175.7	-178.1	175.8	0	115.1	W88 T91 C95 L96	W88-K93 HydrophobicContact CZ2-CD 4.46Å; T91-K93 PolarHBondContact O-N 3.02Å; K93-C95 PolarHBondContact O-N 3.22Å; K93-L96 VanDerWaalsContact CA-CD1 3.41Å; K93-L96 HydrophobicContact CB-CD1 4.17Å; K93-L96 HydrophobicContact CG-CD1 4.07Å; K93-L96 WeakPolarHBondContact O-CG 3.47Å
94	E	53.5	Low	79.4	Confident	76 Å²	76	72.7 Å²	72.7	36%	0.355	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-68.1	-19.5	-176.4	-60.1	76	-158.7	0	0	113.3	R92 L235 K258	R92-E94 VanDerWaalsContact C-OE2 3.27Å; R92-E94 WeakPolarHBondContact CB-OE2 3.32Å; R92-E94 PolarHBondContact O-N 3.44Å; E94-L235 HydrophobicContact CB-CD2 3.97Å; E94-L235 HydrophobicContact CG-CD2 3.75Å; E94-K258 IonicContact OE1-NZ 3.99Å; E94-K258 PolarHBondContact OE1-NZ 3.29Å
95	C	50.2	Low	79.5	Confident	103 Å²	103	71.2 Å²	71.2	70%	0.696	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-105.8	17.3	-176.2	-63.7	0	0	0	0	114.7	R92 K93	R92-C95 PolarHBondContact O-N 3.03Å; K93-C95 PolarHBondContact O-N 3.22Å
96	L	63.7	Low	79.7	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.016	36%	0.364	C	S	.	.			trans	-104.6	14.7	-158.1	-58.3	-173	0	0	0	116.6	W88 T91 K93 A98 Y99 Y100	W88-L96 HydrophobicContact CD2-CD1 4.08Å; W88-L96 HydrophobicContact CG-CD1 3.73Å; T91-L96 HydrophobicContact CG2-CD2 3.65Å; K93-L96 VanDerWaalsContact CA-CD1 3.41Å; K93-L96 HydrophobicContact CB-CD1 4.17Å; K93-L96 HydrophobicContact CG-CD1 4.07Å; K93-L96 WeakPolarHBondContact O-CG 3.47Å; L96-A98 PolarHBondContact O-N 3.4Å; L96-Y99 HydrophobicContact CB-CD2 4.02Å; L96-Y99 HydrophobicContact CD2-CD2 3.79Å; L96-Y99 HydrophobicContact CD2-CE2 3.44Å; L96-Y99 VanDerWaalsContact CD2-CE2 3.44Å; L96-Y99 HydrophobicContact CG-CD2 4.48Å; L96-Y99 PolarHBondContact O-N 3.45Å; L96-Y100 WeakPolarHBondContact O-CD2 3.36Å
97	L	67.9	Low	80	Confident	78 Å²	78	63.3 Å²	63.3	41%	0.408	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-40.7	-175.2	-58.6	-173.3	0	0	0	113.3	Y99 Y100 Q181	L97-Y99 PolarHBondContact O-N 3.02Å; L97-Y99 VanDerWaalsContact O-N 3.16Å; L97-Y100 PolarHBondContact O-N 3.36Å; L97-Q181 HydrophobicContact CD2-CG 4.35Å
98	A	75.7	Confident	80.3	Confident	76 Å²	76	58.6 Å²	58.6	63%	0.628	32%	0.316	S	S	*	.	H	α-helix	trans	-61.3	-26.6	-177.3	0	0	0	0	0	113.5	L96 Y100 D101	L96-A98 PolarHBondContact O-N 3.4Å; A98-Y100 VanDerWaalsContact C-N 3.35Å; A98-D101 PolarHBondContact O-N 3.17Å
99	Y	83.3	Confident	80.7	Confident	35 Å²	35	59.1 Å²	59.1	14%	0.137	32%	0.317	C	S	.	.	H	α-helix	trans	-67.9	-38.2	176.4	-65.2	-82.3	0	0	0	111.5	L84 E87 W88 L96 L97 D101 N102 F105	L84-Y99 HydrophobicContact CB-CD1 4.04Å; L84-Y99 HydrophobicContact CB-CE1 4.41Å; L84-Y99 HydrophobicContact CD2-CD1 3.93Å; L84-Y99 HydrophobicContact CD2-CE1 3.83Å; L84-Y99 HydrophobicContact CG-CD1 4.47Å; E87-Y99 HydrophobicContact CB-CE1 4.41Å; E87-Y99 HydrophobicContact CG-CE1 4.41Å; E87-Y99 WeakPolarHBondContact CG-OH 3.46Å; E87-Y99 PolarHBondContact OE1-OH 3.22Å; W88-Y99 HydrophobicContact CB-CG 4.48Å; L96-Y99 HydrophobicContact CB-CD2 4.02Å; L96-Y99 HydrophobicContact CD2-CD2 3.79Å; L96-Y99 HydrophobicContact CD2-CE2 3.44Å; L96-Y99 VanDerWaalsContact CD2-CE2 3.44Å; L96-Y99 HydrophobicContact CG-CD2 4.48Å; L96-Y99 PolarHBondContact O-N 3.45Å; L97-Y99 PolarHBondContact O-N 3.02Å; L97-Y99 VanDerWaalsContact O-N 3.16Å; Y99-D101 PolarHBondContact O-N 3.38Å; Y99-N102 WeakPolarHBondContact O-CB 3.46Å; Y99-N102 PolarHBondContact O-N 2.82Å; Y99-N102 VanDerWaalsContact O-N 3.08Å; Y99-F105 VanDerWaalsContact C-CD1 3.44Å; Y99-F105 HydrophobicContact CD1-CD2 4.32Å; Y99-F105 HydrophobicContact CD1-CE2 4.28Å; Y99-F105 HydrophobicContact CG-CE2 4.23Å; Y99-F105 HydrophobicContact CG-CZ 4.44Å; Y99-F105 WeakPolarHBondContact O-CB 3.41Å; Y99-F105 WeakPolarHBondContact O-CD1 3.49Å; Y99-F105 WeakPolarHBondContact O-CG 3.4Å
100	Y	87.5	Confident	81.4	Confident	23 Å²	23	56.8 Å²	56.8	9%	0.09	29%	0.293	C	S	.	.	H	α-helix	trans	-68.1	-18.6	-178.2	-64.2	-69.5	0	0	0	112.9	W88 L96 L97 A98 N102 F105 R106 Y109 C182 W185	W88-Y100 AromaticContact NE1-CZ 3.88Å; W88-Y100 PolarHBondContact NE1-OH 3.24Å; L96-Y100 WeakPolarHBondContact O-CD2 3.36Å; L97-Y100 PolarHBondContact O-N 3.36Å; A98-Y100 VanDerWaalsContact C-N 3.35Å; Y100-N102 PolarHBondContact O-N 3.28Å; Y100-F105 HydrophobicContact CD1-CD1 4.22Å; Y100-F105 AromaticContact CD1-CE1 3.59Å; Y100-F105 HydrophobicContact CD1-CE1 3.59Å; Y100-F105 AromaticContact CE1-CE1 3.69Å; Y100-F105 HydrophobicContact CE1-CE1 3.69Å; Y100-F105 HydrophobicContact CE1-CZ 4.42Å; Y100-F105 HydrophobicContact CG-CE1 4.21Å; Y100-R106 WeakPolarHBondContact O-CD 3.45Å; Y100-R106 WeakPolarHBondContact O-CG 3.48Å; Y100-R106 PolarHBondContact O-NH1 3.43Å; Y100-Y109 HydrophobicContact CE1-CD2 4.16Å; Y100-Y109 HydrophobicContact CE1-CE2 4.2Å; Y100-Y109 HydrophobicContact CE1-CG 4.4Å; Y100-C182 PolarHBondContact O-SG 2.92Å; Y100-W185 HydrophobicContact CD1-CH2 4.16Å; Y100-W185 AromaticContact CD1-CZ2 3.42Å; Y100-W185 HydrophobicContact CD1-CZ2 3.42Å; Y100-W185 VanDerWaalsContact CD1-CZ2 3.42Å; Y100-W185 HydrophobicContact CE1-CH2 4.45Å; Y100-W185 AromaticContact CE1-CZ2 3.76Å; Y100-W185 HydrophobicContact CE1-CZ2 3.76Å; Y100-W185 HydrophobicContact CG-CZ2 4.43Å
101	D	87.8	Confident	82.1	Confident	120 Å²	120	55.5 Å²	55.5	64%	0.642	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.9	173.9	-67.9	-26.9	0	0	0	112.3	A98 Y99 R106	A98-D101 PolarHBondContact O-N 3.17Å; Y99-D101 PolarHBondContact O-N 3.38Å; D101-R106 PolarHBondContact O-NH1 2.94Å
102	N	93	Very high	83.1	Confident	26 Å²	26	56.5 Å²	56.5	14%	0.139	28%	0.278	C	S	.	.			trans	-81.5	125.1	176.2	-174.6	-72.4	0	0	0	111.9	L84 Y99 Y100 T104 F105 R106	L84-N102 HydrophobicContact CD1-CB 4.15Å; Y99-N102 WeakPolarHBondContact O-CB 3.46Å; Y99-N102 PolarHBondContact O-N 2.82Å; Y99-N102 VanDerWaalsContact O-N 3.08Å; Y100-N102 PolarHBondContact O-N 3.28Å; N102-T104 PolarHBondContact OD1-N 3.4Å; N102-T104 PolarHBondContact OD1-OG1 3.31Å; N102-F105 HydrophobicContact CB-CB 3.92Å; N102-F105 PolarHBondContact O-N 3.17Å; N102-F105 PolarHBondContact OD1-N 2.91Å; N102-R106 WeakPolarHBondContact O-CG 3.36Å; N102-R106 PolarHBondContact O-N 2.91Å; N102-R106 PolarHBondContact O-NH1 3.24Å
103	D	95.4	Very high	84.7	Confident	80 Å²	80	49.5 Å²	49.5	43%	0.428	25%	0.252	S	S	.	.	H	α-helix	trans	-66	-42.9	-178.7	63	-21.2	0	0	0	113.6	T72 F105 R106 A107	T72-D103 HydrophobicContact CG2-CB 4.36Å; D103-F105 VanDerWaalsContact C-N 3.31Å; D103-F105 PolarHBondContact O-N 3.03Å; D103-R106 PolarHBondContact O-N 3.15Å; D103-A107 WeakPolarHBondContact O-CB 3.49Å; D103-A107 PolarHBondContact O-N 3.41Å
104	T	95.8	Very high	86.5	Confident	15 Å²	15	45.2 Å²	45.2	9%	0.092	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-34.9	176.6	68.1	0	0	0	0	112.1	T72 D76 G81 N102 T108	T72-T104 HydrophobicContact CG2-CG2 4.39Å; D76-T104 HydrophobicContact CB-CG2 3.69Å; G81-T104 WeakPolarHBondContact CA-OG1 3.16Å; G81-T104 PolarHBondContact N-OG1 3.29Å; N102-T104 PolarHBondContact OD1-N 3.4Å; N102-T104 PolarHBondContact OD1-OG1 3.31Å; T104-T108 WeakPolarHBondContact O-CB 3.31Å; T104-T108 PolarHBondContact O-N 3.1Å; T104-T108 PolarHBondContact O-OG1 2.89Å
105	F	95	Very high	88.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-51	170.6	174.8	-90.6	0	0	0	110.8	L84 Y85 W88 Y99 Y100 N102 D103 A107 T108 Y109	L84-F105 HydrophobicContact CB-CB 4.38Å; L84-F105 HydrophobicContact CB-CD2 3.71Å; L84-F105 HydrophobicContact CB-CG 4.48Å; L84-F105 HydrophobicContact CD1-CB 4.2Å; Y85-F105 HydrophobicContact CD2-CE2 4.29Å; W88-F105 HydrophobicContact CB-CE2 3.6Å; W88-F105 HydrophobicContact CB-CZ 3.96Å; W88-F105 AromaticContact CD1-CE2 3.92Å; W88-F105 AromaticContact CD1-CZ 3.37Å; W88-F105 HydrophobicContact CD2-CE2 4.44Å; W88-F105 HydrophobicContact CD2-CZ 4.04Å; W88-F105 AromaticContact CG-CE2 3.73Å; W88-F105 HydrophobicContact CG-CE2 3.73Å; W88-F105 AromaticContact CG-CZ 3.54Å; W88-F105 HydrophobicContact CG-CZ 3.54Å; W88-F105 AromaticContact NE1-CZ 3.86Å; Y99-F105 VanDerWaalsContact C-CD1 3.44Å; Y99-F105 HydrophobicContact CD1-CD2 4.32Å; Y99-F105 HydrophobicContact CD1-CE2 4.28Å; Y99-F105 HydrophobicContact CG-CE2 4.23Å; Y99-F105 HydrophobicContact CG-CZ 4.44Å; Y99-F105 WeakPolarHBondContact O-CB 3.41Å; Y99-F105 WeakPolarHBondContact O-CD1 3.49Å; Y99-F105 WeakPolarHBondContact O-CG 3.4Å; Y100-F105 HydrophobicContact CD1-CD1 4.22Å; Y100-F105 AromaticContact CD1-CE1 3.59Å; Y100-F105 HydrophobicContact CD1-CE1 3.59Å; Y100-F105 AromaticContact CE1-CE1 3.69Å; Y100-F105 HydrophobicContact CE1-CE1 3.69Å; Y100-F105 HydrophobicContact CE1-CZ 4.42Å; Y100-F105 HydrophobicContact CG-CE1 4.21Å; N102-F105 HydrophobicContact CB-CB 3.92Å; N102-F105 PolarHBondContact O-N 3.17Å; N102-F105 PolarHBondContact OD1-N 2.91Å; D103-F105 VanDerWaalsContact C-N 3.31Å; D103-F105 PolarHBondContact O-N 3.03Å; F105-A107 VanDerWaalsContact C-N 3.28Å; F105-A107 PolarHBondContact O-N 3.14Å; F105-T108 PolarHBondContact O-N 2.69Å; F105-T108 VanDerWaalsContact O-N 3.13Å; F105-Y109 HydrophobicContact CZ-CD2 4.45Å; F105-Y109 WeakPolarHBondContact O-CB 3.23Å; F105-Y109 PolarHBondContact O-N 2.91Å
106	R	96.2	Very high	90.6	Very high	23 Å²	23	43.2 Å²	43.2	9%	0.087	22%	0.218	C	C	.	.	H	α-helix	trans	-55.7	-44.2	176.8	-72.8	-165.8	-57.4	-76.6	-0.2	111.6	Y100 D101 N102 D103 T108 Y109 T110 G184 W185 Y188	Y100-R106 WeakPolarHBondContact O-CD 3.45Å; Y100-R106 WeakPolarHBondContact O-CG 3.48Å; Y100-R106 PolarHBondContact O-NH1 3.43Å; D101-R106 PolarHBondContact O-NH1 2.94Å; N102-R106 WeakPolarHBondContact O-CG 3.36Å; N102-R106 PolarHBondContact O-N 2.91Å; N102-R106 PolarHBondContact O-NH1 3.24Å; D103-R106 PolarHBondContact O-N 3.15Å; R106-T108 PolarHBondContact O-N 3.38Å; R106-Y109 PolarHBondContact O-N 3.41Å; R106-T110 WeakPolarHBondContact O-CB 3.46Å; R106-T110 PolarHBondContact O-N 2.88Å; R106-T110 PolarHBondContact O-OG1 2.99Å; R106-G184 PolarHBondContact NE-O 3.11Å; R106-W185 HydrophobicContact CB-CE3 4.41Å; R106-W185 HydrophobicContact CB-CH2 3.83Å; R106-W185 HydrophobicContact CB-CZ3 3.65Å; R106-W185 HydrophobicContact CG-CE3 4.34Å; R106-W185 HydrophobicContact CG-CH2 3.71Å; R106-W185 HydrophobicContact CG-CZ2 4.13Å; R106-W185 HydrophobicContact CG-CZ3 3.83Å; R106-Y188 HydrophobicContact CB-CE2 4.31Å
107	A	97.6	Very high	92.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-42	178.4	0	0	0	0	0	111.9	L69 T72 L73 D103 F105 R111 Y188	L69-A107 HydrophobicContact CB-CB 3.93Å; T72-A107 HydrophobicContact CG2-CB 3.81Å; L73-A107 HydrophobicContact CD2-CB 3.87Å; L73-A107 HydrophobicContact CG-CB 3.92Å; D103-A107 WeakPolarHBondContact O-CB 3.49Å; D103-A107 PolarHBondContact O-N 3.41Å; F105-A107 VanDerWaalsContact C-N 3.28Å; F105-A107 PolarHBondContact O-N 3.14Å; A107-R111 WeakPolarHBondContact O-CB 3.31Å; A107-R111 PolarHBondContact O-N 2.95Å; A107-Y188 WeakPolarHBondContact CA-OH 3.28Å; A107-Y188 PolarHBondContact N-OH 3.3Å; A107-Y188 VanDerWaalsContact N-OH 3.15Å
108	T	96.5	Very high	93.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-47.7	175.2	-59.7	0	0	0	0	111.1	L73 Y85 T104 F105 R106 T110 R111 Q112	L73-T108 WeakPolarHBondContact CD2-OG1 3.39Å; Y85-T108 HydrophobicContact CD1-CG2 4.41Å; Y85-T108 HydrophobicContact CD2-CG2 4.28Å; Y85-T108 HydrophobicContact CG-CG2 3.87Å; T104-T108 WeakPolarHBondContact O-CB 3.31Å; T104-T108 PolarHBondContact O-N 3.1Å; T104-T108 PolarHBondContact O-OG1 2.89Å; F105-T108 PolarHBondContact O-N 2.69Å; F105-T108 VanDerWaalsContact O-N 3.13Å; R106-T108 PolarHBondContact O-N 3.38Å; T108-T110 PolarHBondContact O-N 2.84Å; T108-R111 PolarHBondContact O-N 2.83Å; T108-Q112 HydrophobicContact CG2-CG 4.34Å; T108-Q112 VanDerWaalsContact O-CG 3.22Å; T108-Q112 WeakPolarHBondContact O-CG 3.47Å; T108-Q112 PolarHBondContact O-N 3.24Å
109	Y	95.6	Very high	94.6	Very high	25 Å²	25	37 Å²	37	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-55.4	-51.4	176.3	176.2	-85.3	0	0	0	111	Y85 W88 Y100 F105 R106 R111 Q112 R113 W185	Y85-Y109 HydrophobicContact CE2-CD2 4.1Å; W88-Y109 HydrophobicContact CH2-CD2 4.33Å; W88-Y109 AromaticContact CH2-CE2 3.82Å; W88-Y109 HydrophobicContact CH2-CE2 3.82Å; W88-Y109 HydrophobicContact CZ2-CD2 4.36Å; W88-Y109 AromaticContact CZ2-CE2 3.85Å; W88-Y109 HydrophobicContact CZ2-CE2 3.85Å; W88-Y109 HydrophobicContact CZ3-CE2 4.49Å; Y100-Y109 HydrophobicContact CE1-CD2 4.16Å; Y100-Y109 HydrophobicContact CE1-CE2 4.2Å; Y100-Y109 HydrophobicContact CE1-CG 4.4Å; F105-Y109 HydrophobicContact CZ-CD2 4.45Å; F105-Y109 WeakPolarHBondContact O-CB 3.23Å; F105-Y109 PolarHBondContact O-N 2.91Å; R106-Y109 PolarHBondContact O-N 3.41Å; Y109-R111 PolarHBondContact O-N 2.81Å; Y109-Q112 PolarHBondContact O-N 3.21Å; Y109-Q112 VanDerWaalsContact O-N 3.14Å; Y109-R113 HydrophobicContact CD1-CB 4.4Å; Y109-R113 HydrophobicContact CD1-CG 4.47Å; Y109-R113 HydrophobicContact CD2-CG 4.02Å; Y109-R113 HydrophobicContact CE1-CB 4.09Å; Y109-R113 HydrophobicContact CE1-CG 4.31Å; Y109-R113 HydrophobicContact CE2-CB 4.47Å; Y109-R113 HydrophobicContact CE2-CG 3.83Å; Y109-R113 HydrophobicContact CG-CG 4.33Å; Y109-R113 VanDerWaalsContact O-CB 3.26Å; Y109-R113 WeakPolarHBondContact O-CB 3.49Å; Y109-R113 WeakPolarHBondContact O-CG 3.26Å; Y109-R113 PolarHBondContact O-N 2.9Å; Y109-W185 AromaticContact CD1-CH2 3.65Å; Y109-W185 HydrophobicContact CD1-CH2 3.65Å; Y109-W185 HydrophobicContact CD1-CZ2 4.27Å; Y109-W185 HydrophobicContact CE1-CH2 4.22Å; Y109-W185 HydrophobicContact CE1-CZ2 4.47Å; Y109-W185 HydrophobicContact CG-CH2 4.35Å
110	T	97.7	Very high	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-50.5	178.1	-63.7	0	0	0	0	110.6	Y62 I65 L69 R106 T108 Q112 R113 Y114 P154 W185 Y188	Y62-T110 HydrophobicContact CE2-CG2 3.99Å; I65-T110 HydrophobicContact CG2-CG2 3.69Å; L69-T110 HydrophobicContact CD2-CG2 3.9Å; R106-T110 WeakPolarHBondContact O-CB 3.46Å; R106-T110 PolarHBondContact O-N 2.88Å; R106-T110 PolarHBondContact O-OG1 2.99Å; T108-T110 PolarHBondContact O-N 2.84Å; T110-Q112 PolarHBondContact O-N 3.4Å; T110-R113 PolarHBondContact O-N 3.5Å; T110-Y114 HydrophobicContact CG2-CD2 4.03Å; T110-Y114 WeakPolarHBondContact O-CB 3.47Å; T110-Y114 PolarHBondContact O-N 3.23Å; T110-P154 HydrophobicContact CG2-CB 3.83Å; T110-P154 HydrophobicContact CG2-CG 4.09Å; T110-P154 WeakPolarHBondContact OG1-CB 3.33Å; T110-W185 WeakPolarHBondContact OG1-CZ3 3.25Å; T110-Y188 HydrophobicContact CG2-CD1 4.21Å; T110-Y188 HydrophobicContact CG2-CE1 4.13Å
111	R	96.6	Very high	95.7	Very high	122 Å²	122	35.2 Å²	35.2	46%	0.46	17%	0.171	S	C	.	.	H	α-helix	trans	-57.2	-36.3	178.4	-175.5	169.6	59.1	138	-3.3	113.3	L69 L73 A107 T108 Y109	L69-R111 HydrophobicContact CD1-CB 4.2Å; L69-R111 HydrophobicContact CD1-CG 4.44Å; L69-R111 HydrophobicContact CD2-CB 4.49Å; L73-R111 VanDerWaalsContact CD1-NE 3.33Å; A107-R111 WeakPolarHBondContact O-CB 3.31Å; A107-R111 PolarHBondContact O-N 2.95Å; T108-R111 PolarHBondContact O-N 2.83Å; Y109-R111 PolarHBondContact O-N 2.81Å
112	Q	94.4	Very high	96.1	Very high	79 Å²	79	29.5 Å²	29.5	37%	0.369	14%	0.141	S	C	.	.	H	α-helix	trans	-85.6	-27.5	-176.9	-65.4	-68.3	-14.3	0	0	113.7	Y85 T108 Y109 T110	Y85-Q112 HydrophobicContact CD1-CG 4.38Å; Y85-Q112 HydrophobicContact CE1-CB 4.12Å; Y85-Q112 HydrophobicContact CE1-CG 3.88Å; Y85-Q112 HydrophobicContact CE2-CB 4.13Å; Y85-Q112 HydrophobicContact CE2-CG 4.4Å; Y85-Q112 WeakPolarHBondContact OH-CB 3.44Å; T108-Q112 HydrophobicContact CG2-CG 4.34Å; T108-Q112 VanDerWaalsContact O-CG 3.22Å; T108-Q112 WeakPolarHBondContact O-CG 3.47Å; T108-Q112 PolarHBondContact O-N 3.24Å; Y109-Q112 PolarHBondContact O-N 3.21Å; Y109-Q112 VanDerWaalsContact O-N 3.14Å; T110-Q112 PolarHBondContact O-N 3.4Å
113	R	94.6	Very high	96.2	Very high	63 Å²	63	31.4 Å²	31.4	24%	0.238	15%	0.148	C	C	.	.	H	α-helix	trans	-115.2	-24.8	-166.3	-62	-65.4	-62.9	169.7	2.7	114.5	Y85 Y109 T110 N116 S117	Y85-R113 HydrophobicContact CE2-CG 4.48Å; Y109-R113 HydrophobicContact CD1-CB 4.4Å; Y109-R113 HydrophobicContact CD1-CG 4.47Å; Y109-R113 HydrophobicContact CD2-CG 4.02Å; Y109-R113 HydrophobicContact CE1-CB 4.09Å; Y109-R113 HydrophobicContact CE1-CG 4.31Å; Y109-R113 HydrophobicContact CE2-CB 4.47Å; Y109-R113 HydrophobicContact CE2-CG 3.83Å; Y109-R113 HydrophobicContact CG-CG 4.33Å; Y109-R113 VanDerWaalsContact O-CB 3.26Å; Y109-R113 WeakPolarHBondContact O-CB 3.49Å; Y109-R113 WeakPolarHBondContact O-CG 3.26Å; Y109-R113 PolarHBondContact O-N 2.9Å; T110-R113 PolarHBondContact O-N 3.5Å; R113-N116 PolarHBondContact O-N 3.27Å; R113-S117 VanDerWaalsContact O-CB 3.31Å; R113-S117 WeakPolarHBondContact O-CB 3.25Å; R113-S117 PolarHBondContact O-N 2.94Å; R113-S117 PolarHBondContact O-OG 2.93Å
114	Y	97.8	Very high	96.2	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-60.2	-168.4	-169.2	-79.8	0	0	0	112	Y62 I65 T110 N116 S117 S118 P154 G155 P156 A159	Y62-Y114 AromaticContact CD2-CD1 3.37Å; Y62-Y114 HydrophobicContact CD2-CD1 3.37Å; Y62-Y114 AromaticContact CD2-CD2 3.9Å; Y62-Y114 HydrophobicContact CD2-CD2 3.9Å; Y62-Y114 AromaticContact CD2-CE1 3.42Å; Y62-Y114 HydrophobicContact CD2-CE1 3.42Å; Y62-Y114 VanDerWaalsContact CD2-CE1 3.42Å; Y62-Y114 AromaticContact CD2-CE2 3.92Å; Y62-Y114 HydrophobicContact CD2-CE2 3.92Å; Y62-Y114 AromaticContact CD2-CG 3.62Å; Y62-Y114 HydrophobicContact CD2-CG 3.62Å; Y62-Y114 AromaticContact CD2-CZ 3.68Å; Y62-Y114 AromaticContact CE2-CD1 3.75Å; Y62-Y114 HydrophobicContact CE2-CD1 3.75Å; Y62-Y114 AromaticContact CE2-CD2 3.84Å; Y62-Y114 HydrophobicContact CE2-CD2 3.84Å; Y62-Y114 HydrophobicContact CE2-CE1 4.22Å; Y62-Y114 HydrophobicContact CE2-CE2 4.29Å; Y62-Y114 AromaticContact CE2-CG 3.53Å; Y62-Y114 HydrophobicContact CE2-CG 3.53Å; Y62-Y114 AromaticContact CG-CD1 3.95Å; Y62-Y114 HydrophobicContact CG-CD1 3.95Å; Y62-Y114 AromaticContact CG-CE1 3.91Å; Y62-Y114 HydrophobicContact CG-CE1 3.91Å; I65-Y114 HydrophobicContact CD1-CE2 3.69Å; T110-Y114 HydrophobicContact CG2-CD2 4.03Å; T110-Y114 WeakPolarHBondContact O-CB 3.47Å; T110-Y114 PolarHBondContact O-N 3.23Å; Y114-N116 PolarHBondContact O-N 3.46Å; Y114-S117 PolarHBondContact O-N 2.81Å; Y114-S117 VanDerWaalsContact O-N 3.12Å; Y114-S118 PolarHBondContact O-N 3.14Å; Y114-S118 PolarHBondContact O-OG 2.94Å; Y114-P154 HydrophobicContact CD2-CB 3.96Å; Y114-P154 HydrophobicContact CD2-CG 3.81Å; Y114-P154 HydrophobicContact CE2-CB 4.23Å; Y114-P154 HydrophobicContact CE2-CG 4.42Å; Y114-P154 WeakPolarHBondContact CE2-O 3.48Å; Y114-G155 PolarHBondContact OH-O 3.37Å; Y114-P156 HydrophobicContact CD1-CB 4.49Å; Y114-P156 HydrophobicContact CD2-CB 4.22Å; Y114-P156 HydrophobicContact CE2-CB 4.35Å; Y114-P156 HydrophobicContact CG-CB 4.31Å; Y114-A159 HydrophobicContact CE1-CB 4.13Å; Y114-A159 WeakPolarHBondContact OH-CB 3.44Å
115	I	96.9	Very high	96.3	Very high	45 Å²	45	26.9 Å²	26.9	23%	0.231	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-45.5	-177.2	-59.8	-58.2	0	0	0	111.5	I58 M59 Y62 S117 S118 T119	I58-I115 HydrophobicContact CG2-CD1 3.93Å; M59-I115 HydrophobicContact CG-CD1 4.5Å; M59-I115 HydrophobicContact SD-CD1 3.27Å; M59-I115 WeakPolarHBondContact SD-CD1 3.15Å; M59-I115 HydrophobicContact SD-CG1 3.78Å; M59-I115 HydrophobicContact SD-CG2 4.44Å; Y62-I115 HydrophobicContact CD1-CD1 4.31Å; Y62-I115 HydrophobicContact CG-CD1 4.45Å; I115-S117 VanDerWaalsContact C-N 3.28Å; I115-S117 PolarHBondContact O-N 2.83Å; I115-S118 PolarHBondContact O-N 3.3Å; I115-T119 HydrophobicContact CG2-CG2 4.24Å; I115-T119 WeakPolarHBondContact O-CG2 3.46Å; I115-T119 PolarHBondContact O-N 3.3Å; I115-T119 PolarHBondContact O-OG1 3.01Å
116	N	94.5	Very high	96.3	Very high	93 Å²	93	27.3 Å²	27.3	50%	0.497	13%	0.126	S	C	.	.	H	α-helix	trans	-61.6	-36.4	178.5	-70.8	-25.7	0	0	0	112.6	R113 Y114 T119 S120	R113-N116 PolarHBondContact O-N 3.27Å; Y114-N116 PolarHBondContact O-N 3.46Å; N116-T119 PolarHBondContact O-OG1 3.13Å; N116-S120 VanDerWaalsContact O-CB 3.31Å; N116-S120 WeakPolarHBondContact O-CB 3.41Å; N116-S120 PolarHBondContact O-N 3.27Å; N116-S120 PolarHBondContact O-OG 3.31Å
117	S	96	Very high	96	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.028	13%	0.133	C	C	.	.	H	α-helix	trans	-74.6	-40.4	179	-51.8	0	0	0	0	110.8	R113 Y114 I115 S120 F121	R113-S117 VanDerWaalsContact O-CB 3.31Å; R113-S117 WeakPolarHBondContact O-CB 3.25Å; R113-S117 PolarHBondContact O-N 2.94Å; R113-S117 PolarHBondContact O-OG 2.93Å; Y114-S117 PolarHBondContact O-N 2.81Å; Y114-S117 VanDerWaalsContact O-N 3.12Å; I115-S117 VanDerWaalsContact C-N 3.28Å; I115-S117 PolarHBondContact O-N 2.83Å; S117-S120 PolarHBondContact O-N 3.32Å; S117-F121 PolarHBondContact O-N 2.71Å
118	S	98.1	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-46	174.3	-63.4	0	0	0	0	111.9	Y114 I115 F121 L122 P156 A160	Y114-S118 PolarHBondContact O-N 3.14Å; Y114-S118 PolarHBondContact O-OG 2.94Å; I115-S118 PolarHBondContact O-N 3.3Å; S118-F121 PolarHBondContact O-N 3.44Å; S118-L122 WeakPolarHBondContact O-CB 3.45Å; S118-L122 PolarHBondContact O-N 3.28Å; S118-P156 WeakPolarHBondContact CB-O 3.33Å; S118-P156 VanDerWaalsContact OG-C 3.3Å; S118-P156 WeakPolarHBondContact OG-CA 3.34Å; S118-P156 WeakPolarHBondContact OG-CB 3.31Å; S118-P156 PolarHBondContact OG-O 2.77Å; S118-A160 VanDerWaalsContact O-CB 3.23Å; S118-A160 WeakPolarHBondContact O-CB 3.36Å
119	T	96.1	Very high	95.9	Very high	22 Å²	22	33.5 Å²	33.5	14%	0.135	15%	0.15	C	C	.	.	H	α-helix	trans	-69	-36.4	179.1	55.7	0	0	0	0	112.1	F51 V55 I115 N116 F121 L122 Q123	F51-T119 HydrophobicContact CZ-CG2 4.3Å; V55-T119 HydrophobicContact CG2-CG2 3.94Å; I115-T119 HydrophobicContact CG2-CG2 4.24Å; I115-T119 WeakPolarHBondContact O-CG2 3.46Å; I115-T119 PolarHBondContact O-N 3.3Å; I115-T119 PolarHBondContact O-OG1 3.01Å; N116-T119 PolarHBondContact O-OG1 3.13Å; T119-F121 VanDerWaalsContact C-N 3.34Å; T119-F121 PolarHBondContact O-N 2.97Å; T119-L122 PolarHBondContact O-N 3.1Å; T119-Q123 WeakPolarHBondContact O-CB 3.31Å; T119-Q123 VanDerWaalsContact O-CG 3.23Å; T119-Q123 WeakPolarHBondContact O-CG 3.33Å; T119-Q123 PolarHBondContact O-N 2.93Å
120	S	96	Very high	95.9	Very high	18 Å²	18	33 Å²	33	13%	0.126	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-42.7	173.8	-60.9	0	0	0	0	111.5	N116 S117 Q123 A124 L275	N116-S120 VanDerWaalsContact O-CB 3.31Å; N116-S120 WeakPolarHBondContact O-CB 3.41Å; N116-S120 PolarHBondContact O-N 3.27Å; N116-S120 PolarHBondContact O-OG 3.31Å; S117-S120 PolarHBondContact O-N 3.32Å; S120-Q123 PolarHBondContact O-N 3.41Å; S120-A124 WeakPolarHBondContact O-CB 3.44Å; S120-A124 PolarHBondContact O-N 3.27Å; S120-L275 WeakPolarHBondContact O-CD2 3.24Å
121	F	97.9	Very high	95.7	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-47.3	175.2	-179.2	-87.4	0	0	0	111.6	S117 S118 T119 Q123 A124 L125 D157 A160 M225 V227 I252 L254	S117-F121 PolarHBondContact O-N 2.71Å; S118-F121 PolarHBondContact O-N 3.44Å; T119-F121 VanDerWaalsContact C-N 3.34Å; T119-F121 PolarHBondContact O-N 2.97Å; F121-Q123 VanDerWaalsContact C-N 3.29Å; F121-Q123 PolarHBondContact O-N 2.83Å; F121-A124 WeakPolarHBondContact O-CB 3.21Å; F121-A124 PolarHBondContact O-N 3.13Å; F121-L125 HydrophobicContact CE1-CB 4.49Å; F121-L125 HydrophobicContact CE1-CD2 4.02Å; F121-L125 HydrophobicContact CZ-CD2 4.49Å; F121-L125 WeakPolarHBondContact O-CB 3.37Å; F121-L125 PolarHBondContact O-N 3.31Å; F121-D157 HydrophobicContact CD2-CB 4.07Å; F121-D157 HydrophobicContact CE2-CB 4.36Å; F121-D157 HydrophobicContact CG-CB 4.26Å; F121-A160 HydrophobicContact CB-CB 4.15Å; F121-A160 HydrophobicContact CD1-CB 3.59Å; F121-A160 HydrophobicContact CE1-CB 4.46Å; F121-A160 HydrophobicContact CG-CB 4.24Å; F121-M225 HydrophobicContact CZ-CE 3.89Å; F121-V227 HydrophobicContact CD2-CG1 4.11Å; F121-V227 HydrophobicContact CE2-CB 4.46Å; F121-V227 HydrophobicContact CE2-CG1 3.53Å; F121-V227 HydrophobicContact CE2-CG2 4.02Å; F121-V227 HydrophobicContact CZ-CG1 4.43Å; F121-V227 HydrophobicContact CZ-CG2 4.23Å; F121-I252 HydrophobicContact CE2-CD1 4.23Å; F121-I252 HydrophobicContact CE2-CG2 4.4Å; F121-I252 HydrophobicContact CZ-CD1 4.2Å; F121-L254 HydrophobicContact CB-CD2 4.39Å
122	L	96.3	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-42.4	177	-175.7	67.8	0	0	0	111.5	F51 E54 I58 S118 T119 L125 V126	F51-L122 HydrophobicContact CD2-CD2 3.68Å; F51-L122 HydrophobicContact CD2-CG 4.39Å; F51-L122 HydrophobicContact CE2-CD2 3.64Å; F51-L122 HydrophobicContact CE2-CG 4.27Å; E54-L122 HydrophobicContact CB-CD1 4.24Å; E54-L122 HydrophobicContact CB-CD2 3.46Å; E54-L122 VanDerWaalsContact CB-CD2 3.46Å; E54-L122 HydrophobicContact CB-CG 4.46Å; E54-L122 HydrophobicContact CG-CD1 4.41Å; E54-L122 HydrophobicContact CG-CD2 4.38Å; E54-L122 WeakPolarHBondContact OE2-CD2 3.44Å; I58-L122 HydrophobicContact CD1-CD2 4.06Å; S118-L122 WeakPolarHBondContact O-CB 3.45Å; S118-L122 PolarHBondContact O-N 3.28Å; T119-L122 PolarHBondContact O-N 3.1Å; L122-L125 PolarHBondContact O-N 3.27Å; L122-V126 HydrophobicContact CD1-CG2 3.61Å; L122-V126 HydrophobicContact CG-CG2 4.29Å; L122-V126 VanDerWaalsContact O-CB 3.31Å; L122-V126 WeakPolarHBondContact O-CB 3.46Å; L122-V126 WeakPolarHBondContact O-CG2 3.41Å; L122-V126 PolarHBondContact O-N 3.28Å
123	Q	95.1	Very high	95.6	Very high	65 Å²	65	32.7 Å²	32.7	30%	0.304	16%	0.16	S	C	.	.	H	α-helix	trans	-66	-42.3	177.8	-72.4	175.1	-33.3	0	0	112.8	F51 T119 S120 F121 Y127 R128 L275	F51-Q123 HydrophobicContact CE2-CG 3.89Å; F51-Q123 HydrophobicContact CZ-CG 4.1Å; T119-Q123 WeakPolarHBondContact O-CB 3.31Å; T119-Q123 VanDerWaalsContact O-CG 3.23Å; T119-Q123 WeakPolarHBondContact O-CG 3.33Å; T119-Q123 PolarHBondContact O-N 2.93Å; S120-Q123 PolarHBondContact O-N 3.41Å; F121-Q123 VanDerWaalsContact C-N 3.29Å; F121-Q123 PolarHBondContact O-N 2.83Å; Q123-Y127 HydrophobicContact CB-CD2 4.37Å; Q123-Y127 HydrophobicContact CG-CD2 4.16Å; Q123-Y127 PolarHBondContact O-N 3.31Å; Q123-Y127 VanDerWaalsContact O-N 3.09Å; Q123-R128 PolarHBondContact O-N 2.89Å; Q123-L275 HydrophobicContact CB-CD1 3.96Å
124	A	96.6	Very high	95.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-47.7	173.9	0	0	0	0	0	111.2	S120 F121 R128 I129 L254 L275 V281	S120-A124 WeakPolarHBondContact O-CB 3.44Å; S120-A124 PolarHBondContact O-N 3.27Å; F121-A124 WeakPolarHBondContact O-CB 3.21Å; F121-A124 PolarHBondContact O-N 3.13Å; A124-R128 WeakPolarHBondContact O-CB 3.29Å; A124-I129 WeakPolarHBondContact O-CG1 3.36Å; A124-I129 PolarHBondContact O-N 3.37Å; A124-L254 HydrophobicContact CB-CD1 4.27Å; A124-L275 HydrophobicContact CB-CD2 4.38Å; A124-V281 HydrophobicContact CB-CG1 4.25Å; A124-V281 HydrophobicContact CB-CG2 3.48Å; A124-V281 VanDerWaalsContact CB-CG2 3.48Å
125	L	97.5	Very high	95.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-69.9	-57.5	-177.6	-174.7	60	0	0	0	112.3	F121 L122 I130 V136 L140 Y161 Y164 F250 I252	F121-L125 HydrophobicContact CE1-CB 4.49Å; F121-L125 HydrophobicContact CE1-CD2 4.02Å; F121-L125 HydrophobicContact CZ-CD2 4.49Å; F121-L125 WeakPolarHBondContact O-CB 3.37Å; F121-L125 PolarHBondContact O-N 3.31Å; L122-L125 PolarHBondContact O-N 3.27Å; L125-I130 HydrophobicContact CD1-CD1 4.48Å; L125-I130 HydrophobicContact CG-CD1 4.26Å; L125-I130 WeakPolarHBondContact O-CG1 3.36Å; L125-I130 PolarHBondContact O-N 3.28Å; L125-V136 HydrophobicContact CD1-CG1 4.5Å; L125-L140 HydrophobicContact CD1-CD1 3.85Å; L125-L140 HydrophobicContact CD2-CD1 4.2Å; L125-L140 HydrophobicContact CG-CD1 4.33Å; L125-Y161 HydrophobicContact CD2-CD2 3.88Å; L125-Y161 HydrophobicContact CD2-CE2 4.38Å; L125-Y164 HydrophobicContact CD2-CD1 3.92Å; L125-Y164 HydrophobicContact CD2-CE1 4.17Å; L125-Y164 HydrophobicContact CD2-CG 4.35Å; L125-F250 HydrophobicContact CD1-CE1 4.16Å; L125-F250 HydrophobicContact CD1-CZ 4.1Å; L125-I252 HydrophobicContact CD1-CD1 3.87Å
126	V	94.3	Very high	95.5	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.055	18%	0.184	C	C	.	.	I	π-helix	trans	-82.8	-34.8	-165.8	-179.5	0	0	0	0	112.9	L122 P131 Y164	L122-V126 HydrophobicContact CD1-CG2 3.61Å; L122-V126 HydrophobicContact CG-CG2 4.29Å; L122-V126 VanDerWaalsContact O-CB 3.31Å; L122-V126 WeakPolarHBondContact O-CB 3.46Å; L122-V126 WeakPolarHBondContact O-CG2 3.41Å; L122-V126 PolarHBondContact O-N 3.28Å; V126-P131 VanDerWaalsContact O-CD 3.29Å; V126-P131 WeakPolarHBondContact O-CD 3.42Å; V126-Y164 HydrophobicContact CG2-CD2 3.4Å; V126-Y164 HydrophobicContact CG2-CE2 3.75Å; V126-Y164 HydrophobicContact CG2-CG 4.14Å
127	Y	90.3	Very high	95.6	Very high	56 Å²	56	33.4 Å²	33.4	22%	0.22	17%	0.172	C	C	.	.	I	π-helix	trans	-110.6	0.5	-173.2	-54.4	-60.7	0	0	0	113.8	R47 F51 E54 Q123	R47-Y127 HydrophobicContact CB-CE1 4.19Å; R47-Y127 HydrophobicContact CG-CE1 4.37Å; R47-Y127 PolarHBondContact O-OH 3.39Å; F51-Y127 VanDerWaalsContact CA-OH 3.25Å; F51-Y127 WeakPolarHBondContact CA-OH 3.38Å; F51-Y127 HydrophobicContact CB-CE2 4.23Å; F51-Y127 WeakPolarHBondContact CB-OH 3.32Å; F51-Y127 AromaticContact CD2-CE2 3.47Å; F51-Y127 HydrophobicContact CD2-CE2 3.47Å; F51-Y127 VanDerWaalsContact CD2-CE2 3.47Å; F51-Y127 HydrophobicContact CE2-CE2 4.09Å; F51-Y127 HydrophobicContact CG-CE2 4.09Å; F51-Y127 PolarHBondContact N-OH 3.01Å; E54-Y127 PolarHBondContact OE2-OH 3.45Å; Q123-Y127 HydrophobicContact CB-CD2 4.37Å; Q123-Y127 HydrophobicContact CG-CD2 4.16Å; Q123-Y127 PolarHBondContact O-N 3.31Å; Q123-Y127 VanDerWaalsContact O-N 3.09Å
128	R	94.2	Very high	95.6	Very high	98 Å²	98	36.2 Å²	36.2	37%	0.37	19%	0.186	S	C	.	.	I	π-helix	trans	-127	-66.2	175.8	-58.6	-60.2	-118.9	-119.8	3.1	112	Q123 A124 P131 E132 I273 T274 L275	Q123-R128 PolarHBondContact O-N 2.89Å; A124-R128 WeakPolarHBondContact O-CB 3.29Å; R128-P131 WeakPolarHBondContact O-CD 3.44Å; R128-E132 WeakPolarHBondContact O-CG 3.43Å; R128-E132 PolarHBondContact O-N 3.12Å; R128-I273 HydrophobicContact CB-CD1 3.71Å; R128-I273 HydrophobicContact CB-CG2 4.11Å; R128-I273 HydrophobicContact CG-CG2 4.15Å; R128-T274 PolarHBondContact NH2-O 3.2Å; R128-L275 HydrophobicContact CG-CD1 3.91Å
129	I	96.9	Very high	95.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-64.1	-52.6	-174.2	-65	167.9	0	0	0	111.9	A124 E132 N133 V136 F250 I252 I273 V281 Y283	A124-I129 WeakPolarHBondContact O-CG1 3.36Å; A124-I129 PolarHBondContact O-N 3.37Å; I129-E132 PolarHBondContact O-N 2.9Å; I129-N133 PolarHBondContact O-N 3.45Å; I129-V136 HydrophobicContact CG2-CB 4.48Å; I129-V136 HydrophobicContact CG2-CG1 4.17Å; I129-V136 HydrophobicContact CG2-CG2 4.08Å; I129-F250 HydrophobicContact CD1-CZ 4.47Å; I129-F250 HydrophobicContact CG2-CE2 4.15Å; I129-F250 HydrophobicContact CG2-CZ 3.99Å; I129-I252 HydrophobicContact CD1-CD1 3.95Å; I129-I252 HydrophobicContact CD1-CG1 4.11Å; I129-I252 HydrophobicContact CD1-CG2 4.11Å; I129-I273 HydrophobicContact CG1-CD1 4.2Å; I129-V281 HydrophobicContact CD1-CG1 3.97Å; I129-V281 HydrophobicContact CG1-CG1 4.32Å; I129-Y283 HydrophobicContact CD1-CD1 4.41Å; I129-Y283 HydrophobicContact CD1-CG 4.16Å; I129-Y283 HydrophobicContact CG1-CD1 3.92Å; I129-Y283 HydrophobicContact CG1-CD2 4.46Å; I129-Y283 HydrophobicContact CG1-CE1 4.25Å; I129-Y283 HydrophobicContact CG1-CG 4.02Å; I129-Y283 HydrophobicContact CG2-CD2 3.92Å; I129-Y283 HydrophobicContact CG2-CE2 3.94Å; I129-Y283 HydrophobicContact CG2-CG 4.31Å
130	I	95.9	Very high	95.7	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-45.6	-178.4	-72.1	168.4	0	0	0	112	L125 E132 N133 P134 V136 E137 L140 Y164	L125-I130 HydrophobicContact CD1-CD1 4.48Å; L125-I130 HydrophobicContact CG-CD1 4.26Å; L125-I130 WeakPolarHBondContact O-CG1 3.36Å; L125-I130 PolarHBondContact O-N 3.28Å; I130-E132 VanDerWaalsContact C-N 3.3Å; I130-E132 PolarHBondContact O-N 3.33Å; I130-N133 CarbonylContact O-C 3.59Å; I130-N133 PolarHBondContact O-N 3.16Å; I130-N133 VanDerWaalsContact O-N 3.17Å; I130-P134 VanDerWaalsContact O-CA 3.3Å; I130-P134 WeakPolarHBondContact O-CA 3.31Å; I130-P134 VanDerWaalsContact O-N 3.07Å; I130-V136 HydrophobicContact CG1-CB 4.25Å; I130-V136 HydrophobicContact CG1-CG1 3.97Å; I130-E137 HydrophobicContact CD1-CB 4.13Å; I130-E137 HydrophobicContact CG1-CB 4.29Å; I130-E137 HydrophobicContact CG2-CB 3.97Å; I130-L140 HydrophobicContact CD1-CD1 4.22Å; I130-Y164 HydrophobicContact CD1-CE2 4.16Å; I130-Y164 WeakPolarHBondContact CD1-OH 3.41Å
131	P	93.5	Very high	95.8	Very high	74 Å²	74	39.7 Å²	39.7	48%	0.481	19%	0.194	S	C	.	.	H	α-helix	trans	-59	-35.4	174.3	-29.8	36.7	0	0	0	114.8	V126 R128	V126-P131 VanDerWaalsContact O-CD 3.29Å; V126-P131 WeakPolarHBondContact O-CD 3.42Å; R128-P131 WeakPolarHBondContact O-CD 3.44Å
132	E	93.4	Very high	95.7	Very high	95 Å²	95	43.7 Å²	43.7	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-77.9	-24.5	175.9	-73.8	-178.6	-167.4	0	0	113.5	R128 I129 I130 I273 Y283	R128-E132 WeakPolarHBondContact O-CG 3.43Å; R128-E132 PolarHBondContact O-N 3.12Å; I129-E132 PolarHBondContact O-N 2.9Å; I130-E132 VanDerWaalsContact C-N 3.3Å; I130-E132 PolarHBondContact O-N 3.33Å; E132-I273 VanDerWaalsContact CD-CD1 3.4Å; E132-I273 VanDerWaalsContact OE1-CD1 3.24Å; E132-I273 WeakPolarHBondContact OE1-CD1 3.21Å; E132-I273 WeakPolarHBondContact OE1-CG1 3.35Å; E132-I273 VanDerWaalsContact OE2-CD1 3.25Å; E132-I273 WeakPolarHBondContact OE2-CD1 3.39Å; E132-Y283 PolarHBondContact OE2-OH 3.38Å
133	N	95.2	Very high	95.8	Very high	27 Å²	27	48 Å²	48	14%	0.144	24%	0.235	C	C	.	.			trans	-145.3	80.7	-177.2	-160.2	-26.4	0	0	0	110.7	I129 I130 D135 V136 F285	I129-N133 PolarHBondContact O-N 3.45Å; I130-N133 CarbonylContact O-C 3.59Å; I130-N133 PolarHBondContact O-N 3.16Å; I130-N133 VanDerWaalsContact O-N 3.17Å; N133-D135 PolarHBondContact O-N 2.98Å; N133-D135 VanDerWaalsContact O-N 3.11Å; N133-V136 HydrophobicContact CB-CG2 3.89Å; N133-V136 VanDerWaalsContact O-CB 3.24Å; N133-V136 WeakPolarHBondContact O-CB 3.43Å; N133-V136 WeakPolarHBondContact O-CG2 3.48Å; N133-V136 PolarHBondContact O-N 2.86Å; N133-F285 WeakPolarHBondContact ND2-CD1 3.42Å
134	P	94.6	Very high	95.9	Very high	86 Å²	86	44.9 Å²	44.9	56%	0.558	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.9	-173.4	-28.6	37	0	0	0	114.7	I130 V136 E137	I130-P134 VanDerWaalsContact O-CA 3.3Å; I130-P134 WeakPolarHBondContact O-CA 3.31Å; I130-P134 VanDerWaalsContact O-N 3.07Å; P134-V136 PolarHBondContact O-N 2.89Å; P134-V136 VanDerWaalsContact O-N 3.16Å; P134-E137 PolarHBondContact O-N 3.26Å; P134-E137 VanDerWaalsContact O-N 3.08Å
135	D	96.4	Very high	96	Very high	79 Å²	79	47.1 Å²	47.1	42%	0.422	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-22.8	175.4	-72.8	-10.4	0	0	0	112.7	N133 E137 I138 Y139 F285 I288	N133-D135 PolarHBondContact O-N 2.98Å; N133-D135 VanDerWaalsContact O-N 3.11Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 3.34Å; D135-I138 PolarHBondContact O-N 3.33Å; D135-Y139 WeakPolarHBondContact O-CB 3.23Å; D135-Y139 PolarHBondContact O-N 3.14Å; D135-F285 HydrophobicContact CB-CE1 3.9Å; D135-F285 HydrophobicContact CB-CZ 4.46Å; D135-I288 HydrophobicContact CB-CD1 3.76Å; D135-I288 HydrophobicContact CB-CG1 4.2Å
136	V	97.8	Very high	96	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-40.3	174.1	172.2	0	0	0	0	111	L125 I129 I130 N133 P134 I138 Y139 L140 F250 F285	L125-V136 HydrophobicContact CD1-CG1 4.5Å; I129-V136 HydrophobicContact CG2-CB 4.48Å; I129-V136 HydrophobicContact CG2-CG1 4.17Å; I129-V136 HydrophobicContact CG2-CG2 4.08Å; I130-V136 HydrophobicContact CG1-CB 4.25Å; I130-V136 HydrophobicContact CG1-CG1 3.97Å; N133-V136 HydrophobicContact CB-CG2 3.89Å; N133-V136 VanDerWaalsContact O-CB 3.24Å; N133-V136 WeakPolarHBondContact O-CB 3.43Å; N133-V136 WeakPolarHBondContact O-CG2 3.48Å; N133-V136 PolarHBondContact O-N 2.86Å; P134-V136 PolarHBondContact O-N 2.89Å; P134-V136 VanDerWaalsContact O-N 3.16Å; V136-I138 VanDerWaalsContact C-N 3.32Å; V136-I138 PolarHBondContact O-N 2.9Å; V136-Y139 PolarHBondContact O-N 3.25Å; V136-L140 HydrophobicContact CG1-CD1 3.74Å; V136-L140 HydrophobicContact CG1-CG 4.06Å; V136-L140 WeakPolarHBondContact O-CB 3.35Å; V136-L140 WeakPolarHBondContact O-CG 3.45Å; V136-L140 PolarHBondContact O-N 2.97Å; V136-F250 HydrophobicContact CG1-CE1 3.78Å; V136-F250 HydrophobicContact CG1-CE2 4.37Å; V136-F250 HydrophobicContact CG1-CZ 3.67Å; V136-F285 HydrophobicContact CG2-CB 4.26Å; V136-F285 HydrophobicContact CG2-CD1 3.64Å; V136-F285 HydrophobicContact CG2-CD2 4.15Å; V136-F285 HydrophobicContact CG2-CE1 3.91Å; V136-F285 HydrophobicContact CG2-CE2 4.43Å; V136-F285 HydrophobicContact CG2-CG 3.74Å; V136-F285 HydrophobicContact CG2-CZ 4.3Å
137	E	96.4	Very high	96.3	Very high	52 Å²	52	51.3 Å²	51.3	24%	0.243	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-37.3	-179.9	-178.8	156.5	-143.2	0	0	111.7	I130 P134 D135 R141 Y164 R168	I130-E137 HydrophobicContact CD1-CB 4.13Å; I130-E137 HydrophobicContact CG1-CB 4.29Å; I130-E137 HydrophobicContact CG2-CB 3.97Å; P134-E137 PolarHBondContact O-N 3.26Å; P134-E137 VanDerWaalsContact O-N 3.08Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 3.34Å; E137-R141 WeakPolarHBondContact O-CB 3.37Å; E137-R141 PolarHBondContact O-N 2.9Å; E137-R141 VanDerWaalsContact O-N 3.14Å; E137-Y164 WeakPolarHBondContact CG-OH 3.19Å; E137-Y164 PolarHBondContact OE1-OH 2.82Å; E137-R168 IonicContact OE1-CZ 3.8Å; E137-R168 IonicContact OE1-NH1 3.03Å; E137-R168 PolarHBondContact OE1-NH1 3.35Å
138	I	96.2	Very high	96.7	Very high	63 Å²	63	48.6 Å²	48.6	32%	0.323	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-46.5	173.6	-60.4	171.5	0	0	0	109.7	D135 V136 L140 R141 D142 I288	D135-I138 PolarHBondContact O-N 3.33Å; V136-I138 VanDerWaalsContact C-N 3.32Å; V136-I138 PolarHBondContact O-N 2.9Å; I138-L140 PolarHBondContact O-N 3.02Å; I138-R141 PolarHBondContact O-N 3.13Å; I138-D142 WeakPolarHBondContact CG2-OD2 3.27Å; I138-D142 WeakPolarHBondContact O-CB 3.26Å; I138-D142 PolarHBondContact O-N 2.98Å; I138-I288 HydrophobicContact CB-CD1 3.78Å; I138-I288 HydrophobicContact CD1-CD1 4.44Å; I138-I288 HydrophobicContact CG2-CD1 3.68Å
139	Y	98	Very high	96.9	Very high	12 Å²	12	44 Å²	44	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-48	177.9	-177.7	-107.9	0	0	0	113	D135 V136 R141 D142 H143 V144 D224 R249 F250 F285	D135-Y139 WeakPolarHBondContact O-CB 3.23Å; D135-Y139 PolarHBondContact O-N 3.14Å; V136-Y139 PolarHBondContact O-N 3.25Å; Y139-R141 VanDerWaalsContact C-N 3.3Å; Y139-R141 PolarHBondContact O-N 3.14Å; Y139-D142 PolarHBondContact O-N 3.18Å; Y139-H143 HydrophobicContact CD2-CB 3.61Å; Y139-H143 AromaticContact CD2-CD2 3.92Å; Y139-H143 HydrophobicContact CE2-CB 3.5Å; Y139-H143 HydrophobicContact CG-CB 4.42Å; Y139-H143 WeakPolarHBondContact O-CA 3.36Å; Y139-H143 WeakPolarHBondContact O-CB 3.36Å; Y139-H143 PolarHBondContact O-N 3.35Å; Y139-V144 HydrophobicContact CD1-CG2 3.64Å; Y139-V144 HydrophobicContact CE1-CG2 3.36Å; Y139-V144 HydrophobicContact CG-CG2 4.49Å; Y139-V144 PolarHBondContact O-N 3.4Å; Y139-D224 PolarHBondContact OH-O 2.87Å; Y139-R249 HydrophobicContact CD2-CG 4.48Å; Y139-R249 HydrophobicContact CE1-CG 4.15Å; Y139-R249 HydrophobicContact CE2-CG 3.81Å; Y139-F250 HydrophobicContact CD1-CB 4.22Å; Y139-F250 HydrophobicContact CD1-CD1 4.48Å; Y139-F250 HydrophobicContact CE1-CB 3.75Å; Y139-F285 HydrophobicContact CD1-CD2 4.41Å; Y139-F285 AromaticContact CD1-CE2 3.64Å; Y139-F285 HydrophobicContact CD1-CE2 3.64Å; Y139-F285 HydrophobicContact CD1-CZ 4.48Å; Y139-F285 HydrophobicContact CD2-CE2 4.12Å; Y139-F285 HydrophobicContact CE1-CE2 4.29Å; Y139-F285 AromaticContact CG-CE2 3.54Å; Y139-F285 HydrophobicContact CG-CE2 3.54Å; Y139-F285 AromaticContact CG-CZ 4Å; Y139-F285 HydrophobicContact CG-CZ 4Å
140	L	98.2	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-39.3	179.2	-68	170.4	0	0	0	112.1	L125 I130 V136 I138 V144 Y161 Y164 F170 Q172 M225 F250	L125-L140 HydrophobicContact CD1-CD1 3.85Å; L125-L140 HydrophobicContact CD2-CD1 4.2Å; L125-L140 HydrophobicContact CG-CD1 4.33Å; I130-L140 HydrophobicContact CD1-CD1 4.22Å; V136-L140 HydrophobicContact CG1-CD1 3.74Å; V136-L140 HydrophobicContact CG1-CG 4.06Å; V136-L140 WeakPolarHBondContact O-CB 3.35Å; V136-L140 WeakPolarHBondContact O-CG 3.45Å; V136-L140 PolarHBondContact O-N 2.97Å; I138-L140 PolarHBondContact O-N 3.02Å; L140-V144 HydrophobicContact CD2-CB 4.4Å; L140-V144 HydrophobicContact CD2-CG2 3.88Å; L140-Y161 HydrophobicContact CB-CE2 4.44Å; L140-Y161 HydrophobicContact CD1-CE2 4.33Å; L140-Y161 HydrophobicContact CD2-CE2 3.65Å; L140-Y161 HydrophobicContact CG-CE2 4.34Å; L140-Y161 PolarHBondContact O-OH 3.24Å; L140-Y164 HydrophobicContact CD1-CE1 3.85Å; L140-F170 HydrophobicContact CB-CE2 3.85Å; L140-F170 HydrophobicContact CB-CZ 4.3Å; L140-Q172 PolarHBondContact O-NE2 2.97Å; L140-M225 HydrophobicContact CD2-SD 3.77Å; L140-F250 HydrophobicContact CD2-CD1 3.9Å; L140-F250 HydrophobicContact CD2-CE1 3.79Å; L140-F250 HydrophobicContact CG-CE1 4.41Å
141	R	97.3	Very high	97	Very high	101 Å²	101	44.4 Å²	44.4	38%	0.381	23%	0.231	S	C	.	.	H	α-helix	trans	-70.3	-48.7	179.9	-173.6	-177.8	60.7	-125.9	-8.1	112	E137 I138 Y139 F170 Q172	E137-R141 WeakPolarHBondContact O-CB 3.37Å; E137-R141 PolarHBondContact O-N 2.9Å; E137-R141 VanDerWaalsContact O-N 3.14Å; I138-R141 PolarHBondContact O-N 3.13Å; Y139-R141 VanDerWaalsContact C-N 3.3Å; Y139-R141 PolarHBondContact O-N 3.14Å; R141-F170 HydrophobicContact CB-CD1 3.97Å; R141-F170 HydrophobicContact CB-CE1 3.47Å; R141-F170 VanDerWaalsContact CB-CE1 3.47Å; R141-F170 HydrophobicContact CB-CE2 4.14Å; R141-F170 HydrophobicContact CB-CZ 3.58Å; R141-F170 HydrophobicContact CG-CD1 3.65Å; R141-F170 HydrophobicContact CG-CE1 3.58Å; R141-F170 HydrophobicContact CG-CG 4.33Å; R141-F170 HydrophobicContact CG-CZ 4.21Å; R141-Q172 PolarHBondContact O-NE2 3.5Å
142	D	96.6	Very high	97.2	Very high	87 Å²	87	41 Å²	41	47%	0.465	21%	0.209	S	C	.	.	H	α-helix	trans	-99.8	-18.8	-162.8	-59.2	-23.8	0	0	0	112.7	I138 Y139	I138-D142 WeakPolarHBondContact CG2-OD2 3.27Å; I138-D142 WeakPolarHBondContact O-CB 3.26Å; I138-D142 PolarHBondContact O-N 2.98Å; Y139-D142 PolarHBondContact O-N 3.18Å
143	H	96.8	Very high	97.4	Very high	89 Å²	89	36.9 Å²	36.9	41%	0.412	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-17.2	-170.5	-59.9	-66.9	0	0	0	115.3	Y139 D224	Y139-H143 HydrophobicContact CD2-CB 3.61Å; Y139-H143 AromaticContact CD2-CD2 3.92Å; Y139-H143 HydrophobicContact CE2-CB 3.5Å; Y139-H143 HydrophobicContact CG-CB 4.42Å; Y139-H143 WeakPolarHBondContact O-CA 3.36Å; Y139-H143 WeakPolarHBondContact O-CB 3.36Å; Y139-H143 PolarHBondContact O-N 3.35Å; H143-D224 VanDerWaalsContact O-CG 3.3Å
144	V	98.1	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.			trans	-92.7	110.2	-178.9	178.4	0	0	0	0	111.5	Y139 L140 I147 Y161 Q172 D224 M225	Y139-V144 HydrophobicContact CD1-CG2 3.64Å; Y139-V144 HydrophobicContact CE1-CG2 3.36Å; Y139-V144 HydrophobicContact CG-CG2 4.49Å; Y139-V144 PolarHBondContact O-N 3.4Å; L140-V144 HydrophobicContact CD2-CB 4.4Å; L140-V144 HydrophobicContact CD2-CG2 3.88Å; V144-I147 HydrophobicContact CG1-CD1 3.78Å; V144-I147 HydrophobicContact CG1-CG1 3.66Å; V144-Y161 WeakPolarHBondContact CG1-OH 3.45Å; V144-Q172 WeakPolarHBondContact O-CG 3.35Å; V144-Q172 PolarHBondContact O-NE2 3.08Å; V144-D224 HydrophobicContact CB-CB 4.29Å; V144-D224 HydrophobicContact CG1-CB 4.36Å; V144-D224 HydrophobicContact CG2-CB 4.01Å; V144-M225 HydrophobicContact CG1-CB 4.16Å; V144-M225 HydrophobicContact CG2-CB 4.46Å
145	S	98.3	Very high	97.7	Very high	48 Å²	48	31.8 Å²	31.8	34%	0.336	16%	0.161	S	C	.	.			trans	-124.7	-23.2	171.6	-62.6	0	0	0	0	112.9	I174 V175 D224	S145-I174 CarbonylContact O-C 3.48Å; S145-I174 WeakPolarHBondContact O-CA 3.47Å; S145-V175 PolarHBondContact O-N 3.18Å; S145-D224 PolarHBondContact N-OD2 3.3Å
146	R	98.7	Very high	97.8	Very high	95 Å²	95	28.5 Å²	28.5	36%	0.358	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.3	179.8	-65.6	179	-60.8	168.6	4	110.2	V175 F177 D222 A223 D224 M225	R146-V175 CarbonylContact C-O 3.57Å; R146-V175 WeakPolarHBondContact CA-O 3.42Å; R146-F177 HydrophobicContact CB-CE2 4.2Å; R146-F177 HydrophobicContact CG-CE2 4.33Å; R146-D222 VanDerWaalsContact CZ-O 3.23Å; R146-D222 PolarHBondContact NH1-O 3.36Å; R146-D222 VanDerWaalsContact NH1-O 3.12Å; R146-A223 HydrophobicContact CB-CB 4.23Å; R146-D224 PolarHBondContact N-OD2 2.69Å; R146-D224 IonicContact NH2-OD1 3.05Å; R146-D224 PolarHBondContact O-N 2.87Å; R146-M225 PolarHBondContact O-N 3.46Å
147	I	98.9	Very high	97.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.7	-175.7	-51.9	179.1	0	0	0	109.2	V144 Y161 I174 V175 Y176 F177 M225 V227	V144-I147 HydrophobicContact CG1-CD1 3.78Å; V144-I147 HydrophobicContact CG1-CG1 3.66Å; I147-Y161 HydrophobicContact CD1-CD1 3.45Å; I147-Y161 VanDerWaalsContact CD1-CD1 3.45Å; I147-Y161 HydrophobicContact CD1-CE1 3.28Å; I147-Y161 HydrophobicContact CD1-CG 4.18Å; I147-I174 HydrophobicContact CD1-CG2 3.76Å; I147-I174 HydrophobicContact CG1-CG2 4.25Å; I147-V175 PolarHBondContact N-O 2.62Å; I147-Y176 HydrophobicContact CB-CD1 3.79Å; I147-Y176 HydrophobicContact CB-CE1 3.73Å; I147-Y176 HydrophobicContact CD1-CE1 3.91Å; I147-Y176 HydrophobicContact CG1-CE1 4.37Å; I147-Y176 HydrophobicContact CG2-CD1 3.97Å; I147-Y176 HydrophobicContact CG2-CE1 3.68Å; I147-Y176 CarbonylContact O-C 3.54Å; I147-Y176 VanDerWaalsContact O-CA 3.28Å; I147-Y176 WeakPolarHBondContact O-CA 3.26Å; I147-F177 PolarHBondContact O-N 3.38Å; I147-M225 CarbonylContact C-O 3.07Å; I147-M225 VanDerWaalsContact CA-O 3.31Å; I147-M225 WeakPolarHBondContact CA-O 3.36Å; I147-M225 HydrophobicContact CD1-SD 4.47Å; I147-M225 HydrophobicContact CG1-CB 4.32Å; I147-M225 HydrophobicContact CG2-CB 4.31Å; I147-M225 HydrophobicContact CG2-CG 4.25Å; I147-V227 HydrophobicContact CG2-CG2 4.16Å
148	I	98.9	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.4	169.7	-62.7	163.3	0	0	0	108.1	I150 F177 I179 L220 P221 A223 M225 I226 V227 Y248	I148-I150 HydrophobicContact CG2-CD1 3.47Å; I148-I150 VanDerWaalsContact CG2-CD1 3.47Å; I148-I150 HydrophobicContact CG2-CG1 3.96Å; I148-F177 WeakPolarHBondContact CA-O 3.37Å; I148-F177 HydrophobicContact CG1-CB 4.09Å; I148-F177 HydrophobicContact CG1-CD2 4.22Å; I148-I179 HydrophobicContact CG2-CD1 4.41Å; I148-L220 HydrophobicContact CD1-CB 4.19Å; I148-L220 HydrophobicContact CD1-CD1 4.41Å; I148-L220 HydrophobicContact CG2-CD2 4.27Å; I148-P221 HydrophobicContact CD1-CG 4.06Å; I148-P221 WeakPolarHBondContact CD1-O 3.47Å; I148-P221 HydrophobicContact CG1-CG 4.17Å; I148-A223 HydrophobicContact CD1-CB 3.59Å; I148-A223 HydrophobicContact CG1-CB 3.64Å; I148-M225 PolarHBondContact N-O 3.29Å; I148-I226 HydrophobicContact CB-CB 4.24Å; I148-I226 HydrophobicContact CB-CD1 4.29Å; I148-I226 HydrophobicContact CB-CG1 3.89Å; I148-I226 HydrophobicContact CG2-CD1 4.01Å; I148-I226 HydrophobicContact CG2-CG1 3.94Å; I148-I226 CarbonylContact O-C 3.45Å; I148-I226 WeakPolarHBondContact O-CA 3.4Å; I148-V227 PolarHBondContact O-N 3.41Å; I148-Y248 HydrophobicContact CD1-CE1 3.68Å; I148-Y248 HydrophobicContact CD1-CE2 4.49Å; I148-Y248 WeakPolarHBondContact CD1-OH 3.45Å
149	S	98.8	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.1	171.4	176.3	0	0	0	0	109.1	V152 D157 F177 I179	S149-V152 WeakPolarHBondContact OG-CB 3.32Å; S149-V152 WeakPolarHBondContact OG-CG2 3.48Å; S149-D157 WeakPolarHBondContact CB-OD2 3.35Å; S149-D157 PolarHBondContact OG-OD2 2.81Å; S149-F177 PolarHBondContact N-O 3.45Å; S149-I179 PolarHBondContact O-N 3.28Å
150	I	98.4	Very high	98.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.8	178.8	-54.7	-59.1	0	0	0	109.4	I148 I179 F211 L220 I226 V227 F228 A231 M236	I148-I150 HydrophobicContact CG2-CD1 3.47Å; I148-I150 VanDerWaalsContact CG2-CD1 3.47Å; I148-I150 HydrophobicContact CG2-CG1 3.96Å; I150-I179 CarbonylContact C-O 3.52Å; I150-I179 HydrophobicContact CD1-CB 3.94Å; I150-I179 HydrophobicContact CD1-CD1 3.71Å; I150-I179 HydrophobicContact CD1-CG1 4.28Å; I150-I179 HydrophobicContact CD1-CG2 4.43Å; I150-F211 HydrophobicContact CD1-CD2 4.15Å; I150-F211 HydrophobicContact CD1-CG 4.22Å; I150-F211 HydrophobicContact CG1-CD1 4.47Å; I150-F211 HydrophobicContact CG2-CB 3.7Å; I150-F211 HydrophobicContact CG2-CD1 3.69Å; I150-F211 HydrophobicContact CG2-CE1 4.5Å; I150-F211 HydrophobicContact CG2-CG 3.81Å; I150-L220 HydrophobicContact CD1-CD2 4.04Å; I150-I226 HydrophobicContact CG1-CD1 3.98Å; I150-I226 HydrophobicContact CG1-CG1 4.22Å; I150-V227 PolarHBondContact N-O 2.84Å; I150-F228 HydrophobicContact CB-CD1 3.64Å; I150-F228 HydrophobicContact CB-CE1 3.5Å; I150-F228 HydrophobicContact CB-CG 4.35Å; I150-F228 HydrophobicContact CB-CZ 4.11Å; I150-F228 HydrophobicContact CG1-CD1 4.25Å; I150-F228 HydrophobicContact CG1-CE1 3.68Å; I150-F228 HydrophobicContact CG1-CE2 4.44Å; I150-F228 HydrophobicContact CG1-CZ 3.78Å; I150-F228 HydrophobicContact CG2-CD1 3.85Å; I150-F228 HydrophobicContact CG2-CE1 3.58Å; I150-F228 HydrophobicContact CG2-CZ 4.5Å; I150-A231 WeakPolarHBondContact O-CB 3.35Å; I150-M236 HydrophobicContact CG2-CE 3.85Å
151	G	96.3	Very high	98.1	Very high	21 Å²	21	22.7 Å²	22.7	22%	0.216	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	41.5	-172.1	0	0	0	0	0	111.3	G153 I179 D180	G151-G153 PolarHBondContact O-N 3.09Å; G151-G153 VanDerWaalsContact O-N 3.15Å; G151-I179 PolarHBondContact N-O 2.73Å; G151-D180 VanDerWaalsContact C-OD2 3.3Å
152	V	98.2	Very high	98.1	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.024	10%	0.097	C	C	.	.			trans	-59.3	-26.5	-170.5	60.9	0	0	0	0	113.6	S149 G155 P156 I158 A178 I179 D180 L189 F206	S149-V152 WeakPolarHBondContact OG-CB 3.32Å; S149-V152 WeakPolarHBondContact OG-CG2 3.48Å; V152-G155 PolarHBondContact O-N 2.72Å; V152-P156 WeakPolarHBondContact O-CD 3.39Å; V152-I158 HydrophobicContact CG2-CD1 3.87Å; V152-I158 HydrophobicContact CG2-CG1 4.31Å; V152-A178 HydrophobicContact CB-CB 4.23Å; V152-A178 HydrophobicContact CG1-CB 3.97Å; V152-A178 HydrophobicContact CG2-CB 4.05Å; V152-I179 PolarHBondContact N-O 2.85Å; V152-D180 HydrophobicContact CG1-CB 3.85Å; V152-D180 PolarHBondContact N-OD2 3.39Å; V152-L189 HydrophobicContact CG1-CD1 3.89Å; V152-L189 HydrophobicContact CG2-CD1 4.36Å; V152-L189 HydrophobicContact CG2-CD2 4.1Å; V152-F206 HydrophobicContact CG1-CD2 4.42Å; V152-F206 HydrophobicContact CG1-CE2 4.26Å
153	G	96.7	Very high	98.2	Very high	8 Å²	8	13.7 Å²	13.7	8%	0.082	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-134.1	-172.7	0	0	0	0	0	111.9	G151 G155 D180 W185	G151-G153 PolarHBondContact O-N 3.09Å; G151-G153 VanDerWaalsContact O-N 3.15Å; G153-G155 PolarHBondContact O-N 2.89Å; G153-D180 PolarHBondContact N-OD2 3.31Å; G153-W185 VanDerWaalsContact O-CB 3.31Å; G153-W185 WeakPolarHBondContact O-CB 3.08Å
154	P	97.8	Very high	98.2	Very high	4 Å²	4	9.5 Å²	9.5	3%	0.026	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	3.7	177.5	31.8	-34.7	0	0	0	114.8	I65 T110 Y114 W185 Y188	I65-P154 WeakPolarHBondContact CD1-O 3.43Å; T110-P154 HydrophobicContact CG2-CB 3.83Å; T110-P154 HydrophobicContact CG2-CG 4.09Å; T110-P154 WeakPolarHBondContact OG1-CB 3.33Å; Y114-P154 HydrophobicContact CD2-CB 3.96Å; Y114-P154 HydrophobicContact CD2-CG 3.81Å; Y114-P154 HydrophobicContact CE2-CB 4.23Å; Y114-P154 HydrophobicContact CE2-CG 4.42Å; Y114-P154 WeakPolarHBondContact CE2-O 3.48Å; P154-W185 HydrophobicContact CB-CE3 4.08Å; P154-W185 HydrophobicContact CB-CZ3 4.11Å; P154-W185 HydrophobicContact CG-CZ3 4.31Å; P154-Y188 HydrophobicContact CB-CD1 4.2Å; P154-Y188 HydrophobicContact CB-CG 4.41Å
155	G	98.5	Very high	98.2	Very high	2 Å²	2	9.5 Å²	9.5	2%	0.021	6%	0.055	C	C	.	.			trans	84.9	37.6	179.8	0	0	0	0	0	117.3	Y114 V152 G153 D157 I158 A159	Y114-G155 PolarHBondContact OH-O 3.37Å; V152-G155 PolarHBondContact O-N 2.72Å; G153-G155 PolarHBondContact O-N 2.89Å; G155-D157 PolarHBondContact O-N 2.82Å; G155-I158 WeakPolarHBondContact O-CB 3.48Å; G155-I158 PolarHBondContact O-N 2.97Å; G155-A159 PolarHBondContact O-N 3.2Å
156	P	98.5	Very high	98.1	Very high	9 Å²	9	8.9 Å²	8.9	6%	0.058	5%	0.046	C	C	.	.	H	α-helix	trans	-68.3	-32.6	-179.7	29.9	-34.2	0	0	0	113.4	Y114 S118 V152 A160	Y114-P156 HydrophobicContact CD1-CB 4.49Å; Y114-P156 HydrophobicContact CD2-CB 4.22Å; Y114-P156 HydrophobicContact CE2-CB 4.35Å; Y114-P156 HydrophobicContact CG-CB 4.31Å; S118-P156 WeakPolarHBondContact CB-O 3.33Å; S118-P156 VanDerWaalsContact OG-C 3.3Å; S118-P156 WeakPolarHBondContact OG-CA 3.34Å; S118-P156 WeakPolarHBondContact OG-CB 3.31Å; S118-P156 PolarHBondContact OG-O 2.77Å; V152-P156 WeakPolarHBondContact O-CD 3.39Å; P156-A160 WeakPolarHBondContact O-CB 3.19Å; P156-A160 PolarHBondContact O-N 2.98Å
157	D	98.6	Very high	98	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.011	4%	0.038	C	C	.	.	H	α-helix	trans	-68.9	-39	175.1	60.8	-26.2	0	0	0	111.7	F121 S149 G155 A159 A160 Y161 V227	F121-D157 HydrophobicContact CD2-CB 4.07Å; F121-D157 HydrophobicContact CE2-CB 4.36Å; F121-D157 HydrophobicContact CG-CB 4.26Å; S149-D157 WeakPolarHBondContact CB-OD2 3.35Å; S149-D157 PolarHBondContact OG-OD2 2.81Å; G155-D157 PolarHBondContact O-N 2.82Å; D157-A159 PolarHBondContact O-N 2.88Å; D157-A160 PolarHBondContact O-N 2.78Å; D157-Y161 PolarHBondContact O-N 2.89Å; D157-V227 HydrophobicContact CB-CG1 4.14Å; D157-V227 WeakPolarHBondContact OD2-CG1 3.41Å
158	I	98.7	Very high	97.7	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-55.6	-52.4	172.4	-60.6	-175.3	0	0	0	110.2	V152 G155 A160 L162 Y176 A178 L189 F192 V204	V152-I158 HydrophobicContact CG2-CD1 3.87Å; V152-I158 HydrophobicContact CG2-CG1 4.31Å; G155-I158 WeakPolarHBondContact O-CB 3.48Å; G155-I158 PolarHBondContact O-N 2.97Å; I158-A160 VanDerWaalsContact C-N 3.34Å; I158-A160 PolarHBondContact O-N 3.02Å; I158-L162 WeakPolarHBondContact O-CB 3.39Å; I158-L162 PolarHBondContact O-N 3.48Å; I158-Y176 HydrophobicContact CB-CE1 4.26Å; I158-Y176 HydrophobicContact CB-CE2 4.34Å; I158-Y176 HydrophobicContact CD1-CD1 4.1Å; I158-Y176 HydrophobicContact CD1-CG 4.03Å; I158-Y176 HydrophobicContact CG1-CD1 3.68Å; I158-Y176 HydrophobicContact CG1-CD2 4.39Å; I158-Y176 HydrophobicContact CG1-CE1 3.75Å; I158-Y176 HydrophobicContact CG1-CE2 4.45Å; I158-Y176 HydrophobicContact CG1-CG 3.99Å; I158-Y176 HydrophobicContact CG2-CD2 3.86Å; I158-Y176 HydrophobicContact CG2-CE1 4.44Å; I158-Y176 HydrophobicContact CG2-CE2 3.66Å; I158-Y176 HydrophobicContact CG2-CG 4.31Å; I158-Y176 PolarHBondContact O-OH 3.48Å; I158-A178 HydrophobicContact CD1-CB 4.43Å; I158-L189 HydrophobicContact CD1-CD2 3.98Å; I158-F192 HydrophobicContact CG2-CD1 4.43Å; I158-F192 HydrophobicContact CG2-CE1 3.74Å; I158-F192 HydrophobicContact CG2-CZ 3.82Å; I158-V204 HydrophobicContact CD1-CG1 3.84Å; I158-V204 HydrophobicContact CD1-CG2 4.3Å; I158-V204 HydrophobicContact CG2-CG2 4.28Å
159	A	98.5	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.4	-38.6	179.1	0	0	0	0	0	112.5	L61 Y114 G155 D157 A163 F192	L61-A159 HydrophobicContact CB-CB 4.21Å; L61-A159 HydrophobicContact CD1-CB 4.42Å; L61-A159 WeakPolarHBondContact CD1-O 3.47Å; Y114-A159 HydrophobicContact CE1-CB 4.13Å; Y114-A159 WeakPolarHBondContact OH-CB 3.44Å; G155-A159 PolarHBondContact O-N 3.2Å; D157-A159 PolarHBondContact O-N 2.88Å; A159-A163 WeakPolarHBondContact O-CB 3.18Å; A159-A163 PolarHBondContact O-N 2.9Å; A159-F192 HydrophobicContact CB-CE2 4.03Å
160	A	98.5	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66	-49.4	179.9	0	0	0	0	0	112.4	I58 S118 F121 P156 D157 I158 A163 Y164	I58-A160 HydrophobicContact CD1-CB 4.29Å; S118-A160 VanDerWaalsContact O-CB 3.23Å; S118-A160 WeakPolarHBondContact O-CB 3.36Å; F121-A160 HydrophobicContact CB-CB 4.15Å; F121-A160 HydrophobicContact CD1-CB 3.59Å; F121-A160 HydrophobicContact CE1-CB 4.46Å; F121-A160 HydrophobicContact CG-CB 4.24Å; P156-A160 WeakPolarHBondContact O-CB 3.19Å; P156-A160 PolarHBondContact O-N 2.98Å; D157-A160 PolarHBondContact O-N 2.78Å; I158-A160 VanDerWaalsContact C-N 3.34Å; I158-A160 PolarHBondContact O-N 3.02Å; A160-A163 PolarHBondContact O-N 3.39Å; A160-Y164 WeakPolarHBondContact O-CB 3.33Å; A160-Y164 PolarHBondContact O-N 3.42Å
161	Y	98.5	Very high	97.4	Very high	2 Å²	2	17 Å²	17	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-67.3	-40.9	178	178.9	-98.9	0	0	0	111.7	L125 L140 V144 I147 D157 A163 Y164 A165 I174 Y176	L125-Y161 HydrophobicContact CD2-CD2 3.88Å; L125-Y161 HydrophobicContact CD2-CE2 4.38Å; L140-Y161 HydrophobicContact CB-CE2 4.44Å; L140-Y161 HydrophobicContact CD1-CE2 4.33Å; L140-Y161 HydrophobicContact CD2-CE2 3.65Å; L140-Y161 HydrophobicContact CG-CE2 4.34Å; L140-Y161 PolarHBondContact O-OH 3.24Å; V144-Y161 WeakPolarHBondContact CG1-OH 3.45Å; I147-Y161 HydrophobicContact CD1-CD1 3.45Å; I147-Y161 VanDerWaalsContact CD1-CD1 3.45Å; I147-Y161 HydrophobicContact CD1-CE1 3.28Å; I147-Y161 HydrophobicContact CD1-CG 4.18Å; D157-Y161 PolarHBondContact O-N 2.89Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 3.15Å; Y161-Y164 HydrophobicContact CD2-CD1 4.07Å; Y161-Y164 HydrophobicContact CE2-CD1 4.08Å; Y161-Y164 HydrophobicContact CE2-CE1 4.3Å; Y161-Y164 WeakPolarHBondContact O-CB 3.48Å; Y161-Y164 PolarHBondContact O-N 2.58Å; Y161-A165 HydrophobicContact CE1-CB 4.36Å; Y161-A165 VanDerWaalsContact O-CB 3.28Å; Y161-A165 WeakPolarHBondContact O-CB 3.28Å; Y161-A165 PolarHBondContact O-N 3.4Å; Y161-I174 HydrophobicContact CD1-CD1 4.02Å; Y161-I174 HydrophobicContact CE1-CD1 3.59Å; Y161-I174 HydrophobicContact CE1-CG1 4.23Å; Y161-I174 HydrophobicContact CE1-CG2 4.35Å; Y161-Y176 WeakPolarHBondContact CB-OH 3.37Å; Y161-Y176 WeakPolarHBondContact CD1-OH 3.12Å
162	L	98.3	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.6	-40.4	177.5	-171.8	63.2	0	0	0	111.5	L61 I158 R166 I174 F192 Y200 V202	L61-L162 HydrophobicContact CD1-CB 4.1Å; L61-L162 HydrophobicContact CD1-CD2 4.12Å; L61-L162 HydrophobicContact CD1-CG 4.2Å; L61-L162 HydrophobicContact CD2-CD2 3.86Å; I158-L162 WeakPolarHBondContact O-CB 3.39Å; I158-L162 PolarHBondContact O-N 3.48Å; L162-R166 HydrophobicContact CD1-CG 4.32Å; L162-R166 VanDerWaalsContact O-CG 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.21Å; L162-R166 PolarHBondContact O-N 3.14Å; L162-R166 VanDerWaalsContact O-N 3.08Å; L162-I174 HydrophobicContact CD1-CD1 3.85Å; L162-F192 HydrophobicContact CD2-CE1 4.07Å; L162-F192 HydrophobicContact CD2-CZ 3.71Å; L162-Y200 HydrophobicContact CD2-CD1 4.06Å; L162-Y200 HydrophobicContact CD2-CG 4.14Å; L162-Y200 HydrophobicContact CG-CD1 4.01Å; L162-V202 HydrophobicContact CD1-CB 4.23Å; L162-V202 HydrophobicContact CD1-CG2 4.47Å; L162-V202 HydrophobicContact CD2-CB 4.1Å; L162-V202 HydrophobicContact CD2-CG1 3.95Å; L162-V202 HydrophobicContact CD2-CG2 4.25Å
163	A	98.1	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-50.4	173.5	0	0	0	0	0	111.7	R57 I58 L61 A159 A160 Y161 R166 C167	R57-A163 HydrophobicContact CB-CB 3.84Å; R57-A163 HydrophobicContact CG-CB 3.69Å; I58-A163 HydrophobicContact CG1-CB 3.68Å; L61-A163 HydrophobicContact CD1-CB 4.07Å; A159-A163 WeakPolarHBondContact O-CB 3.18Å; A159-A163 PolarHBondContact O-N 2.9Å; A160-A163 PolarHBondContact O-N 3.39Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 3.15Å; A163-R166 PolarHBondContact O-N 3.34Å; A163-C167 VanDerWaalsContact O-CB 3.27Å; A163-C167 WeakPolarHBondContact O-CB 3.2Å; A163-C167 PolarHBondContact O-N 3.39Å; A163-C167 PolarHBondContact O-SG 3.45Å; A163-C167 VanDerWaalsContact O-SG 3.34Å
164	Y	97.4	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-53.5	-57.7	174.7	162.3	-105.7	0	0	0	111.3	L125 V126 I130 E137 L140 A160 Y161 R166 C167 R168 F170	L125-Y164 HydrophobicContact CD2-CD1 3.92Å; L125-Y164 HydrophobicContact CD2-CE1 4.17Å; L125-Y164 HydrophobicContact CD2-CG 4.35Å; V126-Y164 HydrophobicContact CG2-CD2 3.4Å; V126-Y164 HydrophobicContact CG2-CE2 3.75Å; V126-Y164 HydrophobicContact CG2-CG 4.14Å; I130-Y164 HydrophobicContact CD1-CE2 4.16Å; I130-Y164 WeakPolarHBondContact CD1-OH 3.41Å; E137-Y164 WeakPolarHBondContact CG-OH 3.19Å; E137-Y164 PolarHBondContact OE1-OH 2.82Å; L140-Y164 HydrophobicContact CD1-CE1 3.85Å; A160-Y164 WeakPolarHBondContact O-CB 3.33Å; A160-Y164 PolarHBondContact O-N 3.42Å; Y161-Y164 HydrophobicContact CD2-CD1 4.07Å; Y161-Y164 HydrophobicContact CE2-CD1 4.08Å; Y161-Y164 HydrophobicContact CE2-CE1 4.3Å; Y161-Y164 WeakPolarHBondContact O-CB 3.48Å; Y161-Y164 PolarHBondContact O-N 2.58Å; Y164-R166 VanDerWaalsContact C-N 3.33Å; Y164-R166 PolarHBondContact O-N 2.81Å; Y164-C167 PolarHBondContact O-N 3.3Å; Y164-C167 VanDerWaalsContact O-N 3.1Å; Y164-R168 HydrophobicContact CD2-CG 3.79Å; Y164-R168 HydrophobicContact CE2-CG 3.4Å; Y164-R168 VanDerWaalsContact CE2-CG 3.4Å; Y164-R168 WeakPolarHBondContact O-CG 3.39Å; Y164-R168 PolarHBondContact O-N 3.42Å; Y164-F170 HydrophobicContact CD1-CE2 4.45Å; Y164-F170 AromaticContact CE1-CE2 3.7Å; Y164-F170 HydrophobicContact CE1-CE2 3.7Å; Y164-F170 AromaticContact CE1-CZ 3.93Å; Y164-F170 HydrophobicContact CE1-CZ 3.93Å
165	A	97.6	Very high	97.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-53.4	-49.8	-176.2	0	0	0	0	0	111.3	Y161 R168 G169 F170 I174	Y161-A165 HydrophobicContact CE1-CB 4.36Å; Y161-A165 VanDerWaalsContact O-CB 3.28Å; Y161-A165 WeakPolarHBondContact O-CB 3.28Å; Y161-A165 PolarHBondContact O-N 3.4Å; A165-R168 CarbonylContact O-C 3.6Å; A165-R168 PolarHBondContact O-N 2.92Å; A165-R168 VanDerWaalsContact O-N 3.14Å; A165-G169 PolarHBondContact O-N 3.18Å; A165-F170 HydrophobicContact CB-CB 3.89Å; A165-F170 HydrophobicContact CB-CD2 3.53Å; A165-F170 HydrophobicContact CB-CE2 4.34Å; A165-F170 HydrophobicContact CB-CG 4.02Å; A165-F170 WeakPolarHBondContact O-CB 3.38Å; A165-F170 WeakPolarHBondContact O-CG 3.16Å; A165-F170 PolarHBondContact O-N 3.23Å; A165-I174 HydrophobicContact CB-CD1 4.02Å
166	R	96.6	Very high	97.5	Very high	35 Å²	35	23.8 Å²	23.8	13%	0.132	13%	0.129	C	C	.	.	H	α-helix	trans	-71.6	-33.2	-179	-58.9	-64.2	172.1	-107	0.5	112.8	L162 A163 Y164 R168 G169 F170 Q172 Y200 Q201	L162-R166 HydrophobicContact CD1-CG 4.32Å; L162-R166 VanDerWaalsContact O-CG 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.21Å; L162-R166 PolarHBondContact O-N 3.14Å; L162-R166 VanDerWaalsContact O-N 3.08Å; A163-R166 PolarHBondContact O-N 3.34Å; Y164-R166 VanDerWaalsContact C-N 3.33Å; Y164-R166 PolarHBondContact O-N 2.81Å; R166-R168 PolarHBondContact O-N 2.98Å; R166-G169 PolarHBondContact O-N 3.47Å; R166-F170 PolarHBondContact NH1-O 3.48Å; R166-Q172 PolarHBondContact NH1-O 3.43Å; R166-Q172 PolarHBondContact NH2-O 2.91Å; R166-Y200 HydrophobicContact CG-CD1 3.81Å; R166-Y200 HydrophobicContact CG-CE1 4.23Å; R166-Y200 VanDerWaalsContact CZ-O 3.26Å; R166-Y200 PolarHBondContact NE-O 2.75Å; R166-Y200 PolarHBondContact NH2-O 3.38Å; R166-Q201 PolarHBondContact NH2-O 3.43Å
167	C	95.3	Very high	97.5	Very high	29 Å²	29	25.9 Å²	25.9	20%	0.196	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-26.3	170.9	-78.1	0	0	0	0	112.6	E54 A163 Y164	E54-C167 HydrophobicContact CG-CB 3.89Å; A163-C167 VanDerWaalsContact O-CB 3.27Å; A163-C167 WeakPolarHBondContact O-CB 3.2Å; A163-C167 PolarHBondContact O-N 3.39Å; A163-C167 PolarHBondContact O-SG 3.45Å; A163-C167 VanDerWaalsContact O-SG 3.34Å; Y164-C167 PolarHBondContact O-N 3.3Å; Y164-C167 VanDerWaalsContact O-N 3.1Å
168	R	94.2	Very high	97.6	Very high	70 Å²	70	25.8 Å²	25.8	26%	0.264	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.6	173.5	-59.1	-50.9	170.9	121.7	-5.1	114.4	E54 E137 Y164 A165 R166 F170	E54-R168 IonicContact OE1-CZ 2.65Å; E54-R168 IonicContact OE1-NE 3.46Å; E54-R168 PolarHBondContact OE1-NE 3.32Å; E54-R168 IonicContact OE1-NH2 2.66Å; E54-R168 PolarHBondContact OE1-NH2 3.02Å; E137-R168 IonicContact OE1-CZ 3.8Å; E137-R168 IonicContact OE1-NH1 3.03Å; E137-R168 PolarHBondContact OE1-NH1 3.35Å; Y164-R168 HydrophobicContact CD2-CG 3.79Å; Y164-R168 HydrophobicContact CE2-CG 3.4Å; Y164-R168 VanDerWaalsContact CE2-CG 3.4Å; Y164-R168 WeakPolarHBondContact O-CG 3.39Å; Y164-R168 PolarHBondContact O-N 3.42Å; A165-R168 CarbonylContact O-C 3.6Å; A165-R168 PolarHBondContact O-N 2.92Å; A165-R168 VanDerWaalsContact O-N 3.14Å; R166-R168 PolarHBondContact O-N 2.98Å; R168-F170 VanDerWaalsContact C-N 3.31Å; R168-F170 HydrophobicContact CB-CD1 3.71Å; R168-F170 HydrophobicContact CB-CE1 3.46Å; R168-F170 VanDerWaalsContact CB-CE1 3.46Å; R168-F170 HydrophobicContact CB-CZ 4.09Å; R168-F170 HydrophobicContact CG-CE1 4.37Å
169	G	95.4	Very high	97.5	Very high	52 Å²	52	26.3 Å²	26.3	54%	0.536	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	20.2	178.6	0	0	0	0	0	114.1	A165 R166 T171	A165-G169 PolarHBondContact O-N 3.18Å; R166-G169 PolarHBondContact O-N 3.47Å; G169-T171 PolarHBondContact O-N 2.73Å
170	F	97.2	Very high	97.5	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.031	14%	0.144	C	C	.	.			trans	-66.3	128	173.8	-68.2	11.9	0	0	0	108.8	L140 R141 Y164 A165 R166 R168 Q172	L140-F170 HydrophobicContact CB-CE2 3.85Å; L140-F170 HydrophobicContact CB-CZ 4.3Å; R141-F170 HydrophobicContact CB-CD1 3.97Å; R141-F170 HydrophobicContact CB-CE1 3.47Å; R141-F170 VanDerWaalsContact CB-CE1 3.47Å; R141-F170 HydrophobicContact CB-CE2 4.14Å; R141-F170 HydrophobicContact CB-CZ 3.58Å; R141-F170 HydrophobicContact CG-CD1 3.65Å; R141-F170 HydrophobicContact CG-CE1 3.58Å; R141-F170 HydrophobicContact CG-CG 4.33Å; R141-F170 HydrophobicContact CG-CZ 4.21Å; Y164-F170 HydrophobicContact CD1-CE2 4.45Å; Y164-F170 AromaticContact CE1-CE2 3.7Å; Y164-F170 HydrophobicContact CE1-CE2 3.7Å; Y164-F170 AromaticContact CE1-CZ 3.93Å; Y164-F170 HydrophobicContact CE1-CZ 3.93Å; A165-F170 HydrophobicContact CB-CB 3.89Å; A165-F170 HydrophobicContact CB-CD2 3.53Å; A165-F170 HydrophobicContact CB-CE2 4.34Å; A165-F170 HydrophobicContact CB-CG 4.02Å; A165-F170 WeakPolarHBondContact O-CB 3.38Å; A165-F170 WeakPolarHBondContact O-CG 3.16Å; A165-F170 PolarHBondContact O-N 3.23Å; R166-F170 PolarHBondContact NH1-O 3.48Å; R168-F170 VanDerWaalsContact C-N 3.31Å; R168-F170 HydrophobicContact CB-CD1 3.71Å; R168-F170 HydrophobicContact CB-CE1 3.46Å; R168-F170 VanDerWaalsContact CB-CE1 3.46Å; R168-F170 HydrophobicContact CB-CZ 4.09Å; R168-F170 HydrophobicContact CG-CE1 4.37Å; F170-Q172 VanDerWaalsContact CB-OE1 3.25Å
171	T	95.6	Very high	97.3	Very high	112 Å²	112	30.3 Å²	30.3	69%	0.687	16%	0.159	S	C	*	.			trans	-111.4	-4.8	-173.6	55.3	0	0	0	0	113.6	G169 Q201	G169-T171 PolarHBondContact O-N 2.73Å; T171-Q201 PolarHBondContact O-OE1 3.48Å
172	Q	96.9	Very high	97.2	Very high	32 Å²	32	30.5 Å²	30.5	15%	0.15	16%	0.16	C	C	.	.	S	Bend	trans	-68.8	148.9	177.2	73.5	-82.1	32.2	0	0	111.5	L140 R141 V144 R166 F170	L140-Q172 PolarHBondContact O-NE2 2.97Å; R141-Q172 PolarHBondContact O-NE2 3.5Å; V144-Q172 WeakPolarHBondContact O-CG 3.35Å; V144-Q172 PolarHBondContact O-NE2 3.08Å; R166-Q172 PolarHBondContact NH1-O 3.43Å; R166-Q172 PolarHBondContact NH2-O 2.91Å; F170-Q172 VanDerWaalsContact CB-OE1 3.25Å
173	R	98.1	Very high	97.1	Very high	116 Å²	116	33.4 Å²	33.4	44%	0.438	18%	0.184	S	C	.	.			trans	-69.4	132.6	168.5	176.4	172.9	-65.3	-74.6	-2.8	109.3	V175 Q201	R173-V175 HydrophobicContact CG-CG2 4.4Å; R173-Q201 CarbonylContact C-O 3.58Å; R173-Q201 VanDerWaalsContact CA-O 3.22Å; R173-Q201 WeakPolarHBondContact CA-O 3.17Å; R173-Q201 HydrophobicContact CB-CB 4.45Å; R173-Q201 WeakPolarHBondContact CG-O 3.39Å
174	I	98.6	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.4	177	-60	160.8	0	0	0	108.9	S145 I147 Y161 L162 A165 Y176 Q201 V202 S203	S145-I174 CarbonylContact O-C 3.48Å; S145-I174 WeakPolarHBondContact O-CA 3.47Å; I147-I174 HydrophobicContact CD1-CG2 3.76Å; I147-I174 HydrophobicContact CG1-CG2 4.25Å; Y161-I174 HydrophobicContact CD1-CD1 4.02Å; Y161-I174 HydrophobicContact CE1-CD1 3.59Å; Y161-I174 HydrophobicContact CE1-CG1 4.23Å; Y161-I174 HydrophobicContact CE1-CG2 4.35Å; L162-I174 HydrophobicContact CD1-CD1 3.85Å; A165-I174 HydrophobicContact CB-CD1 4.02Å; I174-Y176 HydrophobicContact CB-CE2 4.4Å; I174-Y176 HydrophobicContact CG2-CD2 3.79Å; I174-Y176 HydrophobicContact CG2-CE2 3.34Å; I174-Q201 PolarHBondContact N-O 3.34Å; I174-V202 CarbonylContact O-C 3.56Å; I174-V202 VanDerWaalsContact O-CA 3.24Å; I174-V202 WeakPolarHBondContact O-CA 3.28Å; I174-S203 PolarHBondContact O-N 2.93Å
175	V	98.8	Very high	97	Very high	30 Å²	30	34.2 Å²	34.2	18%	0.182	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122	175.6	-177.7	0	0	0	0	108.6	S145 R146 I147 R173 F177 S203	S145-V175 PolarHBondContact O-N 3.18Å; R146-V175 CarbonylContact C-O 3.57Å; R146-V175 WeakPolarHBondContact CA-O 3.42Å; I147-V175 PolarHBondContact N-O 2.62Å; R173-V175 HydrophobicContact CG-CG2 4.4Å; V175-F177 HydrophobicContact CG1-CE1 4.45Å; V175-F177 HydrophobicContact CG1-CE2 4.42Å; V175-F177 HydrophobicContact CG1-CZ 4.16Å; V175-S203 CarbonylContact C-O 3.58Å; V175-S203 WeakPolarHBondContact CA-O 3.43Å
176	Y	98.8	Very high	97	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.8	173.8	-76.4	-88.3	0	0	0	111.1	I147 I158 Y161 I174 V202 S203 W205	I147-Y176 HydrophobicContact CB-CD1 3.79Å; I147-Y176 HydrophobicContact CB-CE1 3.73Å; I147-Y176 HydrophobicContact CD1-CE1 3.91Å; I147-Y176 HydrophobicContact CG1-CE1 4.37Å; I147-Y176 HydrophobicContact CG2-CD1 3.97Å; I147-Y176 HydrophobicContact CG2-CE1 3.68Å; I147-Y176 CarbonylContact O-C 3.54Å; I147-Y176 VanDerWaalsContact O-CA 3.28Å; I147-Y176 WeakPolarHBondContact O-CA 3.26Å; I158-Y176 HydrophobicContact CB-CE1 4.26Å; I158-Y176 HydrophobicContact CB-CE2 4.34Å; I158-Y176 HydrophobicContact CD1-CD1 4.1Å; I158-Y176 HydrophobicContact CD1-CG 4.03Å; I158-Y176 HydrophobicContact CG1-CD1 3.68Å; I158-Y176 HydrophobicContact CG1-CD2 4.39Å; I158-Y176 HydrophobicContact CG1-CE1 3.75Å; I158-Y176 HydrophobicContact CG1-CE2 4.45Å; I158-Y176 HydrophobicContact CG1-CG 3.99Å; I158-Y176 HydrophobicContact CG2-CD2 3.86Å; I158-Y176 HydrophobicContact CG2-CE1 4.44Å; I158-Y176 HydrophobicContact CG2-CE2 3.66Å; I158-Y176 HydrophobicContact CG2-CG 4.31Å; I158-Y176 PolarHBondContact O-OH 3.48Å; Y161-Y176 WeakPolarHBondContact CB-OH 3.37Å; Y161-Y176 WeakPolarHBondContact CD1-OH 3.12Å; I174-Y176 HydrophobicContact CB-CE2 4.4Å; I174-Y176 HydrophobicContact CG2-CD2 3.79Å; I174-Y176 HydrophobicContact CG2-CE2 3.34Å; Y176-V202 HydrophobicContact CD2-CG2 3.93Å; Y176-V202 HydrophobicContact CE2-CG2 4.08Å; Y176-S203 PolarHBondContact N-O 2.89Å; Y176-W205 WeakPolarHBondContact O-CB 3.22Å; Y176-W205 PolarHBondContact O-N 2.75Å
177	F	98.8	Very high	97.1	Very high	52 Å²	52	38.3 Å²	38.3	23%	0.228	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	92.2	162.1	-58	-73.4	0	0	0	107.9	R146 I147 I148 S149 V175 W205 P221	R146-F177 HydrophobicContact CB-CE2 4.2Å; R146-F177 HydrophobicContact CG-CE2 4.33Å; I147-F177 PolarHBondContact O-N 3.38Å; I148-F177 WeakPolarHBondContact CA-O 3.37Å; I148-F177 HydrophobicContact CG1-CB 4.09Å; I148-F177 HydrophobicContact CG1-CD2 4.22Å; S149-F177 PolarHBondContact N-O 3.45Å; V175-F177 HydrophobicContact CG1-CE1 4.45Å; V175-F177 HydrophobicContact CG1-CE2 4.42Å; V175-F177 HydrophobicContact CG1-CZ 4.16Å; F177-W205 HydrophobicContact CD1-CB 4.23Å; F177-P221 HydrophobicContact CB-CG 4.09Å; F177-P221 HydrophobicContact CD1-CG 4.06Å; F177-P221 HydrophobicContact CD2-CB 4.4Å; F177-P221 HydrophobicContact CD2-CG 3.61Å; F177-P221 HydrophobicContact CE1-CG 4.4Å; F177-P221 HydrophobicContact CE2-CB 4.27Å; F177-P221 HydrophobicContact CE2-CG 3.97Å; F177-P221 HydrophobicContact CG-CG 3.65Å; F177-P221 HydrophobicContact CZ-CB 4.39Å; F177-P221 HydrophobicContact CZ-CG 4.35Å
178	A	98.8	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.1	-175.2	0	0	0	0	0	110	V152 I158 L189 V204 W205 F206 K207	V152-A178 HydrophobicContact CB-CB 4.23Å; V152-A178 HydrophobicContact CG1-CB 3.97Å; V152-A178 HydrophobicContact CG2-CB 4.05Å; I158-A178 HydrophobicContact CD1-CB 4.43Å; A178-L189 HydrophobicContact CB-CD1 3.97Å; A178-V204 HydrophobicContact CB-CG1 4.03Å; A178-W205 WeakPolarHBondContact CB-O 3.47Å; A178-W205 PolarHBondContact N-O 2.86Å; A178-F206 HydrophobicContact CB-CD2 4.31Å; A178-F206 CarbonylContact O-C 3.59Å; A178-F206 WeakPolarHBondContact O-CA 3.24Å; A178-F206 WeakPolarHBondContact O-CD2 3.3Å; A178-K207 PolarHBondContact O-N 2.81Å
179	I	98.5	Very high	97.4	Very high	13 Å²	13	34 Å²	34	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.8	-177	-61	172.5	0	0	0	108.9	I148 S149 I150 G151 V152 K207 S209 L220	I148-I179 HydrophobicContact CG2-CD1 4.41Å; S149-I179 PolarHBondContact O-N 3.28Å; I150-I179 CarbonylContact C-O 3.52Å; I150-I179 HydrophobicContact CD1-CB 3.94Å; I150-I179 HydrophobicContact CD1-CD1 3.71Å; I150-I179 HydrophobicContact CD1-CG1 4.28Å; I150-I179 HydrophobicContact CD1-CG2 4.43Å; G151-I179 PolarHBondContact N-O 2.73Å; V152-I179 PolarHBondContact N-O 2.85Å; I179-K207 WeakPolarHBondContact CA-O 3.44Å; I179-K207 HydrophobicContact CG1-CB 4.45Å; I179-S209 WeakPolarHBondContact CG2-O 3.45Å; I179-S209 WeakPolarHBondContact CG2-OG 3.43Å; I179-L220 HydrophobicContact CD1-CD2 3.51Å
180	D	97.2	Very high	97.6	Very high	16 Å²	16	34.3 Å²	34.3	9%	0.086	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.3	170.2	-158.9	-70.5	0	0	0	109.2	G151 V152 G153 C182 W185 F206 K207 S208 S209	G151-D180 VanDerWaalsContact C-OD2 3.3Å; V152-D180 HydrophobicContact CG1-CB 3.85Å; V152-D180 PolarHBondContact N-OD2 3.39Å; G153-D180 PolarHBondContact N-OD2 3.31Å; D180-C182 VanDerWaalsContact C-N 3.28Å; D180-C182 PolarHBondContact O-N 3.14Å; D180-C182 PolarHBondContact OD1-N 3.43Å; D180-W185 PolarHBondContact OD1-NE1 2.93Å; D180-F206 HydrophobicContact CB-CE2 3.92Å; D180-F206 HydrophobicContact CB-CZ 4.39Å; D180-K207 PolarHBondContact N-O 3.46Å; D180-S208 CarbonylContact O-C 3.59Å; D180-S208 WeakPolarHBondContact O-CA 3.34Å; D180-S209 CarbonylContact C-O 3.58Å; D180-S209 PolarHBondContact O-N 3.43Å
181	Q	95.3	Very high	97.6	Very high	68 Å²	68	35.2 Å²	35.2	32%	0.318	21%	0.205	S	C	.	.	S	Bend	trans	-71.6	-25.6	176	71.4	-159.4	-35	0	0	112.4	L97 A183 S208 S209 R210	L97-Q181 HydrophobicContact CD2-CG 4.35Å; Q181-A183 PolarHBondContact O-N 3.28Å; Q181-S208 PolarHBondContact O-OG 2.8Å; Q181-S209 WeakPolarHBondContact CA-O 3.4Å; Q181-S209 PolarHBondContact N-O 2.97Å; Q181-R210 HydrophobicContact CB-CB 4.11Å
182	C	95.2	Very high	97.8	Very high	5 Å²	5	30 Å²	30	3%	0.034	17%	0.173	C	C	.	.			trans	-88.4	106.1	179.2	178.7	0	0	0	0	111	Y100 D180 G184 W185	Y100-C182 PolarHBondContact O-SG 2.92Å; D180-C182 VanDerWaalsContact C-N 3.28Å; D180-C182 PolarHBondContact O-N 3.14Å; D180-C182 PolarHBondContact OD1-N 3.43Å; C182-G184 PolarHBondContact O-N 2.93Å; C182-G184 VanDerWaalsContact O-N 3.09Å; C182-W185 VanDerWaalsContact O-CD1 3.22Å; C182-W185 PolarHBondContact O-N 3.16Å
183	A	96.2	Very high	97.9	Very high	61 Å²	61	30.5 Å²	30.5	50%	0.504	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-56.1	-28.1	176.9	0	0	0	0	0	113.4	Q181 W185 G186 S208	Q181-A183 PolarHBondContact O-N 3.28Å; A183-W185 PolarHBondContact O-N 3.47Å; A183-W185 VanDerWaalsContact O-N 3.1Å; A183-G186 PolarHBondContact O-N 3.17Å; A183-S208 WeakPolarHBondContact CA-OG 3.47Å; A183-S208 WeakPolarHBondContact CB-OG 3.31Å; A183-S208 PolarHBondContact N-OG 2.86Å
184	G	96.3	Very high	97.8	Very high	14 Å²	14	35.5 Å²	35.5	14%	0.144	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-63.3	-14.8	-177.9	0	0	0	0	0	114.9	R106 C182 G186 Y188	R106-G184 PolarHBondContact NE-O 3.11Å; C182-G184 PolarHBondContact O-N 2.93Å; C182-G184 VanDerWaalsContact O-N 3.09Å; G184-G186 VanDerWaalsContact C-N 3.33Å; G184-Y188 WeakPolarHBondContact O-CD2 3.45Å
185	W	97.8	Very high	97.8	Very high	4 Å²	4	40 Å²	40	2%	0.015	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-72.9	-23.7	171.4	-62.9	129.6	0	0	0	113.7	Y100 R106 Y109 T110 G153 P154 D180 C182 A183 N187 Y188 L189 F206	Y100-W185 HydrophobicContact CD1-CH2 4.16Å; Y100-W185 AromaticContact CD1-CZ2 3.42Å; Y100-W185 HydrophobicContact CD1-CZ2 3.42Å; Y100-W185 VanDerWaalsContact CD1-CZ2 3.42Å; Y100-W185 HydrophobicContact CE1-CH2 4.45Å; Y100-W185 AromaticContact CE1-CZ2 3.76Å; Y100-W185 HydrophobicContact CE1-CZ2 3.76Å; Y100-W185 HydrophobicContact CG-CZ2 4.43Å; R106-W185 HydrophobicContact CB-CE3 4.41Å; R106-W185 HydrophobicContact CB-CH2 3.83Å; R106-W185 HydrophobicContact CB-CZ3 3.65Å; R106-W185 HydrophobicContact CG-CE3 4.34Å; R106-W185 HydrophobicContact CG-CH2 3.71Å; R106-W185 HydrophobicContact CG-CZ2 4.13Å; R106-W185 HydrophobicContact CG-CZ3 3.83Å; Y109-W185 AromaticContact CD1-CH2 3.65Å; Y109-W185 HydrophobicContact CD1-CH2 3.65Å; Y109-W185 HydrophobicContact CD1-CZ2 4.27Å; Y109-W185 HydrophobicContact CE1-CH2 4.22Å; Y109-W185 HydrophobicContact CE1-CZ2 4.47Å; Y109-W185 HydrophobicContact CG-CH2 4.35Å; T110-W185 WeakPolarHBondContact OG1-CZ3 3.25Å; G153-W185 VanDerWaalsContact O-CB 3.31Å; G153-W185 WeakPolarHBondContact O-CB 3.08Å; P154-W185 HydrophobicContact CB-CE3 4.08Å; P154-W185 HydrophobicContact CB-CZ3 4.11Å; P154-W185 HydrophobicContact CG-CZ3 4.31Å; D180-W185 PolarHBondContact OD1-NE1 2.93Å; C182-W185 VanDerWaalsContact O-CD1 3.22Å; C182-W185 PolarHBondContact O-N 3.16Å; A183-W185 PolarHBondContact O-N 3.47Å; A183-W185 VanDerWaalsContact O-N 3.1Å; W185-N187 PolarHBondContact O-N 3.35Å; W185-N187 VanDerWaalsContact O-N 3.11Å; W185-Y188 AromaticContact CE3-CD2 3.97Å; W185-Y188 HydrophobicContact CE3-CD2 3.97Å; W185-Y188 HydrophobicContact CE3-CE2 4.13Å; W185-Y188 HydrophobicContact CE3-CG 4.38Å; W185-Y188 HydrophobicContact CZ3-CE2 4.35Å; W185-Y188 WeakPolarHBondContact O-CB 3.42Å; W185-Y188 PolarHBondContact O-N 3.14Å; W185-L189 PolarHBondContact O-N 3.47Å; W185-F206 HydrophobicContact CB-CE2 4.47Å; W185-F206 HydrophobicContact CB-CZ 4.35Å
186	G	98.2	Very high	97.8	Very high	13 Å²	13	39.2 Å²	39.2	13%	0.134	21%	0.21	C	C	.	.	H	α-helix	trans	-54.4	-35.3	-179.2	0	0	0	0	0	113.4	A183 G184 Y188 L189 A190 F206	A183-G186 PolarHBondContact O-N 3.17Å; G184-G186 VanDerWaalsContact C-N 3.33Å; G186-Y188 VanDerWaalsContact C-N 3.32Å; G186-Y188 PolarHBondContact O-N 2.92Å; G186-L189 PolarHBondContact O-N 3.03Å; G186-A190 WeakPolarHBondContact O-CB 3.41Å; G186-A190 PolarHBondContact O-N 3.02Å; G186-F206 VanDerWaalsContact CA-CD1 3.45Å
187	N	97.6	Very high	97.7	Very high	108 Å²	108	40.8 Å²	40.8	58%	0.578	22%	0.222	S	C	*	.	H	α-helix	trans	-64.4	-35.3	176.8	-68.9	-13.9	0	0	0	113	L68 W185 A191	L68-N187 HydrophobicContact CD2-CB 4.11Å; W185-N187 PolarHBondContact O-N 3.35Å; W185-N187 VanDerWaalsContact O-N 3.11Å; N187-A191 WeakPolarHBondContact O-CB 3.22Å; N187-A191 PolarHBondContact O-N 3.04Å; N187-A191 VanDerWaalsContact O-N 3.11Å
188	Y	98.5	Very high	97.5	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-47	179.4	-64.3	-105.4	0	0	0	110	I65 L68 R106 A107 T110 P154 G184 W185 G186 A191 F192	I65-Y188 WeakPolarHBondContact CG1-O 3.48Å; I65-Y188 HydrophobicContact CG2-CD1 3.69Å; I65-Y188 HydrophobicContact CG2-CE1 4.35Å; L68-Y188 HydrophobicContact CD2-CD1 4.31Å; L68-Y188 HydrophobicContact CD2-CD2 4.36Å; L68-Y188 HydrophobicContact CD2-CE1 4.47Å; L68-Y188 HydrophobicContact CD2-CG 4.22Å; R106-Y188 HydrophobicContact CB-CE2 4.31Å; A107-Y188 WeakPolarHBondContact CA-OH 3.28Å; A107-Y188 PolarHBondContact N-OH 3.3Å; A107-Y188 VanDerWaalsContact N-OH 3.15Å; T110-Y188 HydrophobicContact CG2-CD1 4.21Å; T110-Y188 HydrophobicContact CG2-CE1 4.13Å; P154-Y188 HydrophobicContact CB-CD1 4.2Å; P154-Y188 HydrophobicContact CB-CG 4.41Å; G184-Y188 WeakPolarHBondContact O-CD2 3.45Å; W185-Y188 AromaticContact CE3-CD2 3.97Å; W185-Y188 HydrophobicContact CE3-CD2 3.97Å; W185-Y188 HydrophobicContact CE3-CE2 4.13Å; W185-Y188 HydrophobicContact CE3-CG 4.38Å; W185-Y188 HydrophobicContact CZ3-CE2 4.35Å; W185-Y188 WeakPolarHBondContact O-CB 3.42Å; W185-Y188 PolarHBondContact O-N 3.14Å; G186-Y188 VanDerWaalsContact C-N 3.32Å; G186-Y188 PolarHBondContact O-N 2.92Å; Y188-A191 PolarHBondContact O-N 2.94Å; Y188-F192 PolarHBondContact O-N 3.21Å
189	L	98.7	Very high	97.4	Very high	4 Å²	4	49 Å²	49	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-38.8	179	-61.1	174.2	0	0	0	111.9	V152 I158 A178 W185 G186 F192 D193 V204 F206	V152-L189 HydrophobicContact CG1-CD1 3.89Å; V152-L189 HydrophobicContact CG2-CD1 4.36Å; V152-L189 HydrophobicContact CG2-CD2 4.1Å; I158-L189 HydrophobicContact CD1-CD2 3.98Å; A178-L189 HydrophobicContact CB-CD1 3.97Å; W185-L189 PolarHBondContact O-N 3.47Å; G186-L189 PolarHBondContact O-N 3.03Å; L189-F192 WeakPolarHBondContact O-CB 3.46Å; L189-F192 PolarHBondContact O-N 3.28Å; L189-D193 WeakPolarHBondContact O-CB 3.43Å; L189-D193 PolarHBondContact O-N 3.42Å; L189-V204 HydrophobicContact CB-CG1 4.15Å; L189-V204 HydrophobicContact CD2-CG1 4.39Å; L189-F206 HydrophobicContact CD1-CB 4.09Å; L189-F206 HydrophobicContact CD1-CD2 3.42Å; L189-F206 VanDerWaalsContact CD1-CD2 3.42Å; L189-F206 HydrophobicContact CD1-CE2 4.06Å; L189-F206 HydrophobicContact CD1-CG 3.88Å
190	A	98.4	Very high	97.3	Very high	58 Å²	58	48.7 Å²	48.7	48%	0.479	27%	0.27	S	S	.	.	H	α-helix	trans	-66.1	-37.8	174.4	0	0	0	0	0	112.3	G186 R194	G186-A190 WeakPolarHBondContact O-CB 3.41Å; G186-A190 PolarHBondContact O-N 3.02Å; A190-R194 WeakPolarHBondContact O-CB 3.43Å; A190-R194 PolarHBondContact O-N 3.03Å
191	A	98.3	Very high	97.2	Very high	26 Å²	26	51.8 Å²	51.8	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-41.7	174.6	0	0	0	0	0	111.5	P64 N187 Y188 Q195	P64-A191 HydrophobicContact CB-CB 4.36Å; P64-A191 WeakPolarHBondContact CB-O 3.41Å; N187-A191 WeakPolarHBondContact O-CB 3.22Å; N187-A191 PolarHBondContact O-N 3.04Å; N187-A191 VanDerWaalsContact O-N 3.11Å; Y188-A191 PolarHBondContact O-N 2.94Å; A191-Q195 WeakPolarHBondContact O-CB 3.27Å; A191-Q195 PolarHBondContact O-N 3.29Å
192	F	98.6	Very high	97.4	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-53.6	173.5	-178.2	-80.1	0	0	0	111.6	L61 I65 I158 A159 L162 Y188 L189 R194 Q195 W196 V202 V204	L61-F192 HydrophobicContact CB-CE2 3.96Å; L61-F192 HydrophobicContact CD2-CE2 4.32Å; L61-F192 HydrophobicContact CD2-CZ 4.19Å; I65-F192 HydrophobicContact CD1-CB 4.22Å; I65-F192 HydrophobicContact CD1-CD2 4.28Å; I65-F192 HydrophobicContact CG1-CB 4.5Å; I158-F192 HydrophobicContact CG2-CD1 4.43Å; I158-F192 HydrophobicContact CG2-CE1 3.74Å; I158-F192 HydrophobicContact CG2-CZ 3.82Å; A159-F192 HydrophobicContact CB-CE2 4.03Å; L162-F192 HydrophobicContact CD2-CE1 4.07Å; L162-F192 HydrophobicContact CD2-CZ 3.71Å; Y188-F192 PolarHBondContact O-N 3.21Å; L189-F192 WeakPolarHBondContact O-CB 3.46Å; L189-F192 PolarHBondContact O-N 3.28Å; F192-R194 PolarHBondContact O-N 3.23Å; F192-Q195 PolarHBondContact O-N 3.04Å; F192-W196 AromaticContact CD2-CD1 3.81Å; F192-W196 HydrophobicContact CE1-CB 4.48Å; F192-W196 AromaticContact CE2-CD1 3.9Å; F192-W196 AromaticContact CG-CD1 3.96Å; F192-W196 VanDerWaalsContact O-CD1 3.29Å; F192-W196 PolarHBondContact O-N 2.82Å; F192-V202 HydrophobicContact CE1-CG1 4.19Å; F192-V204 HydrophobicContact CD1-CG2 4.09Å; F192-V204 HydrophobicContact CE1-CG2 4.34Å
193	D	98.2	Very high	97.5	Very high	41 Å²	41	49.6 Å²	49.6	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-44.8	-176.1	-172.1	63.7	0	0	0	112.1	L189 Q195 W196 S197 S203 V204	L189-D193 WeakPolarHBondContact O-CB 3.43Å; L189-D193 PolarHBondContact O-N 3.42Å; D193-Q195 VanDerWaalsContact C-N 3.25Å; D193-Q195 PolarHBondContact O-N 3.46Å; D193-W196 PolarHBondContact O-N 3.24Å; D193-S197 WeakPolarHBondContact O-CA 3.37Å; D193-S197 WeakPolarHBondContact O-CB 3.5Å; D193-S197 PolarHBondContact O-N 3.42Å; D193-S197 PolarHBondContact O-OG 3.26Å; D193-S203 VanDerWaalsContact OD1-CA 3.27Å; D193-S203 WeakPolarHBondContact OD1-CA 3.41Å; D193-V204 HydrophobicContact CB-CB 4.13Å; D193-V204 HydrophobicContact CB-CG2 4.35Å; D193-V204 PolarHBondContact OD1-N 2.82Å
194	R	97.9	Very high	97.7	Very high	222 Å²	222	47.5 Å²	47.5	84%	0.838	26%	0.258	S	S	*	.	H	α-helix	trans	-57.8	-39	176.8	-179.5	179.9	176	-174.3	0.1	112.4	A190 F192	A190-R194 WeakPolarHBondContact O-CB 3.43Å; A190-R194 PolarHBondContact O-N 3.03Å; F192-R194 PolarHBondContact O-N 3.23Å
195	Q	98.1	Very high	97.8	Very high	93 Å²	93	54.9 Å²	54.9	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-77.7	-40.7	-178.1	-177	62.8	45	0	0	111.9	P64 A191 F192 D193	P64-Q195 HydrophobicContact CB-CB 3.88Å; P64-Q195 HydrophobicContact CB-CG 4.22Å; P64-Q195 HydrophobicContact CG-CB 3.85Å; P64-Q195 HydrophobicContact CG-CG 4.05Å; A191-Q195 WeakPolarHBondContact O-CB 3.27Å; A191-Q195 PolarHBondContact O-N 3.29Å; F192-Q195 PolarHBondContact O-N 3.04Å; D193-Q195 VanDerWaalsContact C-N 3.25Å; D193-Q195 PolarHBondContact O-N 3.46Å
196	W	97.9	Very high	97.8	Very high	15 Å²	15	57.7 Å²	57.7	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-110.9	-10.4	-164.4	-57.7	127	0	0	0	115.3	E60 L61 F192 D193 S198 E199 Y200 V202	E60-W196 HydrophobicContact CG-CH2 4.01Å; E60-W196 HydrophobicContact CG-CZ2 4.4Å; E60-W196 VanDerWaalsContact O-CZ2 3.23Å; E60-W196 WeakPolarHBondContact O-CZ2 3.48Å; L61-W196 HydrophobicContact CD2-CB 4.43Å; L61-W196 HydrophobicContact CD2-CD2 3.97Å; L61-W196 HydrophobicContact CD2-CG 3.85Å; L61-W196 PolarHBondContact O-NE1 3.08Å; F192-W196 AromaticContact CD2-CD1 3.81Å; F192-W196 HydrophobicContact CE1-CB 4.48Å; F192-W196 AromaticContact CE2-CD1 3.9Å; F192-W196 AromaticContact CG-CD1 3.96Å; F192-W196 VanDerWaalsContact O-CD1 3.29Å; F192-W196 PolarHBondContact O-N 2.82Å; D193-W196 PolarHBondContact O-N 3.24Å; W196-S198 VanDerWaalsContact C-N 3.3Å; W196-S198 PolarHBondContact O-N 3.28Å; W196-E199 WeakPolarHBondContact CZ3-OE2 3.47Å; W196-E199 PolarHBondContact O-N 3.48Å; W196-Y200 HydrophobicContact CB-CD2 4Å; W196-Y200 HydrophobicContact CB-CG 4.42Å; W196-Y200 AromaticContact CD2-CD2 3.94Å; W196-Y200 HydrophobicContact CD2-CD2 3.94Å; W196-Y200 HydrophobicContact CD2-CE2 4.01Å; W196-Y200 AromaticContact CE3-CD2 3.45Å; W196-Y200 HydrophobicContact CE3-CD2 3.45Å; W196-Y200 VanDerWaalsContact CE3-CD2 3.45Å; W196-Y200 AromaticContact CE3-CE2 3.33Å; W196-Y200 HydrophobicContact CE3-CE2 3.33Å; W196-Y200 HydrophobicContact CG-CD2 4.21Å; W196-Y200 HydrophobicContact CH2-CE2 4.49Å; W196-Y200 HydrophobicContact CZ3-CD2 4.19Å; W196-Y200 AromaticContact CZ3-CE2 3.61Å; W196-Y200 HydrophobicContact CZ3-CE2 3.61Å; W196-Y200 WeakPolarHBondContact O-CB 3.2Å; W196-Y200 PolarHBondContact O-N 3.02Å; W196-V202 HydrophobicContact CB-CG1 4.14Å
197	S	97.3	Very high	97.8	Very high	36 Å²	36	62.3 Å²	62.3	25%	0.252	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-40.7	-172.4	50.5	0	0	0	0	114.7	D193 Q201 V202	D193-S197 WeakPolarHBondContact O-CA 3.37Å; D193-S197 WeakPolarHBondContact O-CB 3.5Å; D193-S197 PolarHBondContact O-N 3.42Å; D193-S197 PolarHBondContact O-OG 3.26Å; S197-Q201 VanDerWaalsContact O-CA 3.32Å; S197-Q201 WeakPolarHBondContact O-CA 3.45Å; S197-Q201 PolarHBondContact O-N 3.46Å; S197-V202 CarbonylContact C-O 3.55Å; S197-V202 WeakPolarHBondContact CA-O 3.28Å; S197-V202 VanDerWaalsContact CB-O 3.23Å; S197-V202 WeakPolarHBondContact CB-O 3.39Å; S197-V202 PolarHBondContact O-N 3.34Å; S197-V202 VanDerWaalsContact O-N 3.11Å
198	S	94.7	Very high	97.8	Very high	104 Å²	104	60 Å²	60	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-56.4	176.8	-172.8	0	0	0	0	111.7	W196 Y200 Q201	W196-S198 VanDerWaalsContact C-N 3.3Å; W196-S198 PolarHBondContact O-N 3.28Å; S198-Y200 VanDerWaalsContact C-N 3.35Å; S198-Y200 PolarHBondContact O-N 3.02Å; S198-Q201 PolarHBondContact O-N 2.87Å
199	E	95.6	Very high	97.7	Very high	121 Å²	121	61.4 Å²	61.4	57%	0.565	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-39.6	-172.9	-176.5	177	161.4	0	0	112.8	W196	W196-E199 WeakPolarHBondContact CZ3-OE2 3.47Å; W196-E199 PolarHBondContact O-N 3.48Å
200	Y	96.4	Very high	97.5	Very high	6 Å²	6	66.1 Å²	66.1	2%	0.024	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7	-178.3	-75.9	-99.6	0	0	0	113.1	R57 E60 L61 L162 R166 W196 S198 V202	R57-Y200 VanDerWaalsContact CD-OH 3.25Å; R57-Y200 WeakPolarHBondContact CD-OH 3.2Å; R57-Y200 PolarHBondContact NH1-OH 3.29Å; E60-Y200 PolarHBondContact OE1-OH 3.12Å; E60-Y200 PolarHBondContact OE2-OH 3.24Å; L61-Y200 HydrophobicContact CD2-CD1 3.87Å; L61-Y200 HydrophobicContact CD2-CD2 4.01Å; L61-Y200 HydrophobicContact CD2-CE1 3.83Å; L61-Y200 HydrophobicContact CD2-CE2 3.95Å; L61-Y200 HydrophobicContact CD2-CG 4Å; L61-Y200 HydrophobicContact CG-CE1 4.38Å; L162-Y200 HydrophobicContact CD2-CD1 4.06Å; L162-Y200 HydrophobicContact CD2-CG 4.14Å; L162-Y200 HydrophobicContact CG-CD1 4.01Å; R166-Y200 HydrophobicContact CG-CD1 3.81Å; R166-Y200 HydrophobicContact CG-CE1 4.23Å; R166-Y200 VanDerWaalsContact CZ-O 3.26Å; R166-Y200 PolarHBondContact NE-O 2.75Å; R166-Y200 PolarHBondContact NH2-O 3.38Å; W196-Y200 HydrophobicContact CB-CD2 4Å; W196-Y200 HydrophobicContact CB-CG 4.42Å; W196-Y200 AromaticContact CD2-CD2 3.94Å; W196-Y200 HydrophobicContact CD2-CD2 3.94Å; W196-Y200 HydrophobicContact CD2-CE2 4.01Å; W196-Y200 AromaticContact CE3-CD2 3.45Å; W196-Y200 HydrophobicContact CE3-CD2 3.45Å; W196-Y200 VanDerWaalsContact CE3-CD2 3.45Å; W196-Y200 AromaticContact CE3-CE2 3.33Å; W196-Y200 HydrophobicContact CE3-CE2 3.33Å; W196-Y200 HydrophobicContact CG-CD2 4.21Å; W196-Y200 HydrophobicContact CH2-CE2 4.49Å; W196-Y200 HydrophobicContact CZ3-CD2 4.19Å; W196-Y200 AromaticContact CZ3-CE2 3.61Å; W196-Y200 HydrophobicContact CZ3-CE2 3.61Å; W196-Y200 WeakPolarHBondContact O-CB 3.2Å; W196-Y200 PolarHBondContact O-N 3.02Å; S198-Y200 VanDerWaalsContact C-N 3.35Å; S198-Y200 PolarHBondContact O-N 3.02Å; Y200-V202 VanDerWaalsContact C-N 3.26Å; Y200-V202 PolarHBondContact O-N 3.3Å
201	Q	97.1	Very high	97.4	Very high	80 Å²	80	64.1 Å²	64.1	37%	0.374	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	52.1	-176.3	-59.9	179.8	-64.8	0	0	111.8	R166 T171 R173 I174 S197 S198	R166-Q201 PolarHBondContact NH2-O 3.43Å; T171-Q201 PolarHBondContact O-OE1 3.48Å; R173-Q201 CarbonylContact C-O 3.58Å; R173-Q201 VanDerWaalsContact CA-O 3.22Å; R173-Q201 WeakPolarHBondContact CA-O 3.17Å; R173-Q201 HydrophobicContact CB-CB 4.45Å; R173-Q201 WeakPolarHBondContact CG-O 3.39Å; I174-Q201 PolarHBondContact N-O 3.34Å; S197-Q201 VanDerWaalsContact O-CA 3.32Å; S197-Q201 WeakPolarHBondContact O-CA 3.45Å; S197-Q201 PolarHBondContact O-N 3.46Å; S198-Q201 PolarHBondContact O-N 2.87Å
202	V	98.3	Very high	97.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.6	-179.4	65.8	0	0	0	0	109.9	L162 I174 Y176 F192 W196 S197 Y200 V204	L162-V202 HydrophobicContact CD1-CB 4.23Å; L162-V202 HydrophobicContact CD1-CG2 4.47Å; L162-V202 HydrophobicContact CD2-CB 4.1Å; L162-V202 HydrophobicContact CD2-CG1 3.95Å; L162-V202 HydrophobicContact CD2-CG2 4.25Å; I174-V202 CarbonylContact O-C 3.56Å; I174-V202 VanDerWaalsContact O-CA 3.24Å; I174-V202 WeakPolarHBondContact O-CA 3.28Å; Y176-V202 HydrophobicContact CD2-CG2 3.93Å; Y176-V202 HydrophobicContact CE2-CG2 4.08Å; F192-V202 HydrophobicContact CE1-CG1 4.19Å; W196-V202 HydrophobicContact CB-CG1 4.14Å; S197-V202 CarbonylContact C-O 3.55Å; S197-V202 WeakPolarHBondContact CA-O 3.28Å; S197-V202 VanDerWaalsContact CB-O 3.23Å; S197-V202 WeakPolarHBondContact CB-O 3.39Å; S197-V202 PolarHBondContact O-N 3.34Å; S197-V202 VanDerWaalsContact O-N 3.11Å; Y200-V202 VanDerWaalsContact C-N 3.26Å; Y200-V202 PolarHBondContact O-N 3.3Å; V202-V204 HydrophobicContact CG2-CG2 4.34Å
203	S	98.5	Very high	97	Very high	28 Å²	28	67.6 Å²	67.6	20%	0.196	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	126.8	169.4	-57.6	0	0	0	0	109.3	I174 V175 Y176 D193	I174-S203 PolarHBondContact O-N 2.93Å; V175-S203 CarbonylContact C-O 3.58Å; V175-S203 WeakPolarHBondContact CA-O 3.43Å; Y176-S203 PolarHBondContact N-O 2.89Å; D193-S203 VanDerWaalsContact OD1-CA 3.27Å; D193-S203 WeakPolarHBondContact OD1-CA 3.41Å
204	V	98.7	Very high	96.9	Very high	17 Å²	17	72.1 Å²	72.1	10%	0.103	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.8	-178.4	-172.8	0	0	0	0	110.4	I158 A178 L189 F192 D193 V202	I158-V204 HydrophobicContact CD1-CG1 3.84Å; I158-V204 HydrophobicContact CD1-CG2 4.3Å; I158-V204 HydrophobicContact CG2-CG2 4.28Å; A178-V204 HydrophobicContact CB-CG1 4.03Å; L189-V204 HydrophobicContact CB-CG1 4.15Å; L189-V204 HydrophobicContact CD2-CG1 4.39Å; F192-V204 HydrophobicContact CD1-CG2 4.09Å; F192-V204 HydrophobicContact CE1-CG2 4.34Å; D193-V204 HydrophobicContact CB-CB 4.13Å; D193-V204 HydrophobicContact CB-CG2 4.35Å; D193-V204 PolarHBondContact OD1-N 2.82Å; V202-V204 HydrophobicContact CG2-CG2 4.34Å
205	W	98.4	Very high	96.9	Very high	168 Å²	168	66.5 Å²	66.5	64%	0.636	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.9	173.6	-62.9	83.6	0	0	0	109.2	Y176 F177 A178	Y176-W205 WeakPolarHBondContact O-CB 3.22Å; Y176-W205 PolarHBondContact O-N 2.75Å; F177-W205 HydrophobicContact CD1-CB 4.23Å; A178-W205 WeakPolarHBondContact CB-O 3.47Å; A178-W205 PolarHBondContact N-O 2.86Å
206	F	98.7	Very high	96.8	Very high	64 Å²	64	63.8 Å²	63.8	28%	0.281	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131	-179.7	177.9	-114.6	0	0	0	111.7	V152 A178 D180 W185 G186 L189	V152-F206 HydrophobicContact CG1-CD2 4.42Å; V152-F206 HydrophobicContact CG1-CE2 4.26Å; A178-F206 HydrophobicContact CB-CD2 4.31Å; A178-F206 CarbonylContact O-C 3.59Å; A178-F206 WeakPolarHBondContact O-CA 3.24Å; A178-F206 WeakPolarHBondContact O-CD2 3.3Å; D180-F206 HydrophobicContact CB-CE2 3.92Å; D180-F206 HydrophobicContact CB-CZ 4.39Å; W185-F206 HydrophobicContact CB-CE2 4.47Å; W185-F206 HydrophobicContact CB-CZ 4.35Å; G186-F206 VanDerWaalsContact CA-CD1 3.45Å; L189-F206 HydrophobicContact CD1-CB 4.09Å; L189-F206 HydrophobicContact CD1-CD2 3.42Å; L189-F206 VanDerWaalsContact CD1-CD2 3.42Å; L189-F206 HydrophobicContact CD1-CE2 4.06Å; L189-F206 HydrophobicContact CD1-CG 3.88Å
207	K	98.2	Very high	96.8	Very high	109 Å²	109	63.3 Å²	63.3	47%	0.474	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.7	170.1	-178	-177.9	176.3	-173.9	0	109.5	A178 I179 D180 S209	A178-K207 PolarHBondContact O-N 2.81Å; I179-K207 WeakPolarHBondContact CA-O 3.44Å; I179-K207 HydrophobicContact CG1-CB 4.45Å; D180-K207 PolarHBondContact N-O 3.46Å; K207-S209 PolarHBondContact O-N 2.77Å
208	S	97.2	Very high	96.8	Very high	60 Å²	60	67.4 Å²	67.4	42%	0.42	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	104.1	171.3	-170.4	0	0	0	0	109.8	D180 Q181 A183	D180-S208 CarbonylContact O-C 3.59Å; D180-S208 WeakPolarHBondContact O-CA 3.34Å; Q181-S208 PolarHBondContact O-OG 2.8Å; A183-S208 WeakPolarHBondContact CA-OG 3.47Å; A183-S208 WeakPolarHBondContact CB-OG 3.31Å; A183-S208 PolarHBondContact N-OG 2.86Å
209	S	95.8	Very high	96.8	Very high	35 Å²	35	66.7 Å²	66.7	25%	0.245	32%	0.32	C	S	.	.			trans	-160.5	148.8	174.6	53.7	0	0	0	0	111.5	I179 D180 Q181 K207	I179-S209 WeakPolarHBondContact CG2-O 3.45Å; I179-S209 WeakPolarHBondContact CG2-OG 3.43Å; D180-S209 CarbonylContact C-O 3.58Å; D180-S209 PolarHBondContact O-N 3.43Å; Q181-S209 WeakPolarHBondContact CA-O 3.4Å; Q181-S209 PolarHBondContact N-O 2.97Å; K207-S209 PolarHBondContact O-N 2.77Å
210	R	94.4	Very high	97	Very high	103 Å²	103	61.2 Å²	61.2	39%	0.389	30%	0.295	S	S	.	.			trans	-78.4	137.1	169.4	-174.7	177.4	177.7	95.8	0.4	109.2	Q181 N212	Q181-R210 HydrophobicContact CB-CB 4.11Å; R210-N212 HydrophobicContact CG-CB 4.43Å; R210-N212 PolarHBondContact NE-OD1 3.48Å; R210-N212 PolarHBondContact NH2-OD1 2.95Å; R210-N212 VanDerWaalsContact NH2-OD1 3.09Å
211	F	96.1	Very high	97	Very high	16 Å²	16	63 Å²	63	7%	0.07	31%	0.307	C	S	.	.			trans	-115.3	122.4	173.8	-177	-91.3	0	0	0	108.6	I150 D216 V217 L220 F228 M236 I240 L244	I150-F211 HydrophobicContact CD1-CD2 4.15Å; I150-F211 HydrophobicContact CD1-CG 4.22Å; I150-F211 HydrophobicContact CG1-CD1 4.47Å; I150-F211 HydrophobicContact CG2-CB 3.7Å; I150-F211 HydrophobicContact CG2-CD1 3.69Å; I150-F211 HydrophobicContact CG2-CE1 4.5Å; I150-F211 HydrophobicContact CG2-CG 3.81Å; F211-D216 HydrophobicContact CD2-CB 3.49Å; F211-D216 VanDerWaalsContact CD2-CB 3.49Å; F211-D216 HydrophobicContact CE2-CB 3.77Å; F211-D216 HydrophobicContact CG-CB 4.18Å; F211-V217 HydrophobicContact CE2-CG2 4.19Å; F211-V217 HydrophobicContact CZ-CG2 3.73Å; F211-L220 HydrophobicContact CD2-CD2 4.23Å; F211-L220 HydrophobicContact CE2-CD1 3.61Å; F211-L220 HydrophobicContact CE2-CD2 3.97Å; F211-L220 HydrophobicContact CE2-CG 3.85Å; F211-L220 HydrophobicContact CZ-CD1 3.96Å; F211-F228 HydrophobicContact CD1-CE1 4.05Å; F211-F228 AromaticContact CE1-CE1 3.82Å; F211-F228 HydrophobicContact CE1-CE1 3.82Å; F211-F228 AromaticContact CE1-CZ 3.91Å; F211-F228 HydrophobicContact CE1-CZ 3.91Å; F211-M236 HydrophobicContact CD1-CE 4.23Å; F211-M236 HydrophobicContact CD1-SD 3.98Å; F211-M236 HydrophobicContact CE1-SD 4.37Å; F211-I240 HydrophobicContact CE1-CD1 3.87Å; F211-L244 HydrophobicContact CZ-CD1 4.47Å; F211-L244 HydrophobicContact CZ-CD2 4.36Å
212	N	94.4	Very high	97	Very high	42 Å²	42	64 Å²	64	23%	0.225	32%	0.315	C	S	.	.			trans	-152.6	-33.6	-166.6	-160.7	89.4	0	0	0	114.6	R210 D216 L235 A237	R210-N212 HydrophobicContact CG-CB 4.43Å; R210-N212 PolarHBondContact NE-OD1 3.48Å; R210-N212 PolarHBondContact NH2-OD1 2.95Å; R210-N212 VanDerWaalsContact NH2-OD1 3.09Å; N212-D216 WeakPolarHBondContact CA-OD2 3.4Å; N212-D216 PolarHBondContact N-OD2 2.88Å; N212-L235 PolarHBondContact OD1-O 3.16Å; N212-A237 WeakPolarHBondContact O-CB 3.41Å; N212-A237 PolarHBondContact O-N 3.11Å
213	N	95.4	Very high	97	Very high	59 Å²	59	64.5 Å²	64.5	32%	0.316	32%	0.319	S	S	.	.	S	Bend	trans	-136.7	-175.3	-167.7	66.2	35	0	0	0	112.8	D215 D216 V217	N213-D215 WeakPolarHBondContact OD1-CB 3.43Å; N213-D215 PolarHBondContact OD1-N 3.47Å; N213-D216 PolarHBondContact N-OD2 2.91Å; N213-D216 PolarHBondContact O-N 2.95Å; N213-D216 PolarHBondContact OD1-N 3.45Å; N213-D216 VanDerWaalsContact OD1-N 3.14Å; N213-D216 PolarHBondContact OD1-OD2 2.69Å; N213-V217 PolarHBondContact O-N 3.37Å
214	R	95.9	Very high	97	Very high	137 Å²	137	64.5 Å²	64.5	52%	0.517	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-45.3	179.6	168.5	178.9	-107.2	-149.6	-4	112.3	D216 V217 E218 L243	R214-D216 PolarHBondContact O-N 2.93Å; R214-V217 WeakPolarHBondContact O-CA 3.07Å; R214-V217 VanDerWaalsContact O-CB 3.32Å; R214-V217 WeakPolarHBondContact O-CB 3.37Å; R214-V217 PolarHBondContact O-N 3.03Å; R214-E218 HydrophobicContact CG-CG 4.5Å; R214-E218 PolarHBondContact O-N 3.16Å; R214-E218 VanDerWaalsContact O-N 3.13Å; R214-L243 HydrophobicContact CB-CD1 4.02Å; R214-L243 HydrophobicContact CG-CD1 3.8Å
215	D	97	Very high	97	Very high	104 Å²	104	63.7 Å²	63.7	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-58.7	-37.9	-177.4	-54	-13.1	0	0	0	110	N213 V217 E218 T219	N213-D215 WeakPolarHBondContact OD1-CB 3.43Å; N213-D215 PolarHBondContact OD1-N 3.47Å; D215-V217 PolarHBondContact O-N 3.03Å; D215-E218 PolarHBondContact O-N 3.08Å; D215-T219 WeakPolarHBondContact O-CG2 3.43Å; D215-T219 PolarHBondContact O-N 3.26Å
216	D	97.5	Very high	97	Very high	36 Å²	36	55.7 Å²	55.7	19%	0.193	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-39.7	175.7	-56.2	-50	0	0	0	112.4	F211 N212 N213 R214 E218 T219 L220	F211-D216 HydrophobicContact CD2-CB 3.49Å; F211-D216 VanDerWaalsContact CD2-CB 3.49Å; F211-D216 HydrophobicContact CE2-CB 3.77Å; F211-D216 HydrophobicContact CG-CB 4.18Å; N212-D216 WeakPolarHBondContact CA-OD2 3.4Å; N212-D216 PolarHBondContact N-OD2 2.88Å; N213-D216 PolarHBondContact N-OD2 2.91Å; N213-D216 PolarHBondContact O-N 2.95Å; N213-D216 PolarHBondContact OD1-N 3.45Å; N213-D216 VanDerWaalsContact OD1-N 3.14Å; N213-D216 PolarHBondContact OD1-OD2 2.69Å; R214-D216 PolarHBondContact O-N 2.93Å; D216-E218 VanDerWaalsContact C-N 3.31Å; D216-E218 PolarHBondContact O-N 3.33Å; D216-T219 PolarHBondContact O-N 2.97Å; D216-T219 PolarHBondContact O-OG1 2.77Å; D216-L220 PolarHBondContact O-N 3.24Å
217	V	97.7	Very high	97	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.024	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-39.4	176	178.5	0	0	0	0	111.4	F211 N213 R214 D215 T219 L220 I240 L243 L244 R247	F211-V217 HydrophobicContact CE2-CG2 4.19Å; F211-V217 HydrophobicContact CZ-CG2 3.73Å; N213-V217 PolarHBondContact O-N 3.37Å; R214-V217 WeakPolarHBondContact O-CA 3.07Å; R214-V217 VanDerWaalsContact O-CB 3.32Å; R214-V217 WeakPolarHBondContact O-CB 3.37Å; R214-V217 PolarHBondContact O-N 3.03Å; D215-V217 PolarHBondContact O-N 3.03Å; V217-T219 VanDerWaalsContact C-N 3.27Å; V217-T219 PolarHBondContact O-N 3.13Å; V217-L220 PolarHBondContact O-N 2.95Å; V217-I240 HydrophobicContact CG2-CB 3.78Å; V217-I240 HydrophobicContact CG2-CG2 3.86Å; V217-L243 HydrophobicContact CG1-CB 4.05Å; V217-L244 HydrophobicContact CG1-CD2 3.93Å; V217-L244 HydrophobicContact CG1-CG 4.44Å; V217-L244 HydrophobicContact CG2-CD2 4.21Å; V217-L244 HydrophobicContact CG2-CG 4.33Å; V217-R247 PolarHBondContact O-NH1 2.87Å
218	E	95.6	Very high	97	Very high	122 Å²	122	47.7 Å²	47.7	57%	0.57	25%	0.247	S	C	*	.	H	α-helix	trans	-65.5	-32.1	179	-66.8	177.4	-175.6	0	0	111.6	R214 D215 D216 L220 R247	R214-E218 HydrophobicContact CG-CG 4.5Å; R214-E218 PolarHBondContact O-N 3.16Å; R214-E218 VanDerWaalsContact O-N 3.13Å; D215-E218 PolarHBondContact O-N 3.08Å; D216-E218 VanDerWaalsContact C-N 3.31Å; D216-E218 PolarHBondContact O-N 3.33Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 2.88Å; E218-R247 PolarHBondContact O-NH1 3.15Å
219	T	96.5	Very high	97	Very high	89 Å²	89	45.3 Å²	45.3	55%	0.546	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.2	178.1	71.5	0	0	0	0	115.2	D215 D216 V217	D215-T219 WeakPolarHBondContact O-CG2 3.43Å; D215-T219 PolarHBondContact O-N 3.26Å; D216-T219 PolarHBondContact O-N 2.97Å; D216-T219 PolarHBondContact O-OG1 2.77Å; V217-T219 VanDerWaalsContact C-N 3.27Å; V217-T219 PolarHBondContact O-N 3.13Å
220	L	98.2	Very high	96.9	Very high	7 Å²	7	45 Å²	45	4%	0.037	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-68.3	147	-179.4	-67.4	-179.2	0	0	0	111.4	I148 I150 I179 F211 D216 V217 E218 I226 L244 R247 Y248	I148-L220 HydrophobicContact CD1-CB 4.19Å; I148-L220 HydrophobicContact CD1-CD1 4.41Å; I148-L220 HydrophobicContact CG2-CD2 4.27Å; I150-L220 HydrophobicContact CD1-CD2 4.04Å; I179-L220 HydrophobicContact CD1-CD2 3.51Å; F211-L220 HydrophobicContact CD2-CD2 4.23Å; F211-L220 HydrophobicContact CE2-CD1 3.61Å; F211-L220 HydrophobicContact CE2-CD2 3.97Å; F211-L220 HydrophobicContact CE2-CG 3.85Å; F211-L220 HydrophobicContact CZ-CD1 3.96Å; D216-L220 PolarHBondContact O-N 3.24Å; V217-L220 PolarHBondContact O-N 2.95Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 2.88Å; L220-I226 HydrophobicContact CD1-CD1 3.92Å; L220-L244 HydrophobicContact CD1-CD2 3.93Å; L220-R247 VanDerWaalsContact O-CZ 3.23Å; L220-R247 PolarHBondContact O-NH1 3.24Å; L220-R247 PolarHBondContact O-NH2 3.48Å; L220-Y248 WeakPolarHBondContact CB-OH 3.49Å; L220-Y248 HydrophobicContact CD1-CE2 4Å
221	P	97.3	Very high	96.8	Very high	43 Å²	43	40.8 Å²	40.8	28%	0.279	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-74.2	168.2	172.9	32.6	-34.8	0	0	0	111.2	I148 F177 Y248	I148-P221 HydrophobicContact CD1-CG 4.06Å; I148-P221 WeakPolarHBondContact CD1-O 3.47Å; I148-P221 HydrophobicContact CG1-CG 4.17Å; F177-P221 HydrophobicContact CB-CG 4.09Å; F177-P221 HydrophobicContact CD1-CG 4.06Å; F177-P221 HydrophobicContact CD2-CB 4.4Å; F177-P221 HydrophobicContact CD2-CG 3.61Å; F177-P221 HydrophobicContact CE1-CG 4.4Å; F177-P221 HydrophobicContact CE2-CB 4.27Å; F177-P221 HydrophobicContact CE2-CG 3.97Å; F177-P221 HydrophobicContact CG-CG 3.65Å; F177-P221 HydrophobicContact CZ-CB 4.39Å; F177-P221 HydrophobicContact CZ-CG 4.35Å; P221-Y248 PolarHBondContact O-OH 3.21Å
222	D	97.5	Very high	96.5	Very high	100 Å²	100	41.5 Å²	41.5	54%	0.535	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-69.1	136.9	166.6	-62.8	-22.2	0	0	0	110.1	R146 R247	R146-D222 VanDerWaalsContact CZ-O 3.23Å; R146-D222 PolarHBondContact NH1-O 3.36Å; R146-D222 VanDerWaalsContact NH1-O 3.12Å; D222-R247 IonicContact OD1-NH2 3.96Å; D222-R247 PolarHBondContact OD1-NH2 3.13Å
223	A	98.1	Very high	96.3	Very high	11 Å²	11	39.7 Å²	39.7	9%	0.091	21%	0.207	C	C	.	.			trans	-152.8	162.4	-178.2	0	0	0	0	0	109.9	R146 I148 Y248	R146-A223 HydrophobicContact CB-CB 4.23Å; I148-A223 HydrophobicContact CD1-CB 3.59Å; I148-A223 HydrophobicContact CG1-CB 3.64Å; A223-Y248 HydrophobicContact CB-CD1 4.23Å; A223-Y248 HydrophobicContact CB-CE1 3.87Å; A223-Y248 WeakPolarHBondContact O-CD1 3.43Å
224	D	98	Very high	96	Very high	29 Å²	29	38.4 Å²	38.4	16%	0.155	21%	0.205	C	C	.	.	S	Bend	trans	-93.3	-26.1	-177.3	-42.8	-46.8	0	0	0	109.8	Y139 H143 V144 S145 R146	Y139-D224 PolarHBondContact OH-O 2.87Å; H143-D224 VanDerWaalsContact O-CG 3.3Å; V144-D224 HydrophobicContact CB-CB 4.29Å; V144-D224 HydrophobicContact CG1-CB 4.36Å; V144-D224 HydrophobicContact CG2-CB 4.01Å; S145-D224 PolarHBondContact N-OD2 3.3Å; R146-D224 PolarHBondContact N-OD2 2.69Å; R146-D224 IonicContact NH2-OD1 3.05Å; R146-D224 PolarHBondContact O-N 2.87Å
225	M	98.4	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.2	-178.7	178	176.3	170.9	0	0	111.2	F121 L140 V144 R146 I147 I148 V227 F250 I252	F121-M225 HydrophobicContact CZ-CE 3.89Å; L140-M225 HydrophobicContact CD2-SD 3.77Å; V144-M225 HydrophobicContact CG1-CB 4.16Å; V144-M225 HydrophobicContact CG2-CB 4.46Å; R146-M225 PolarHBondContact O-N 3.46Å; I147-M225 CarbonylContact C-O 3.07Å; I147-M225 VanDerWaalsContact CA-O 3.31Å; I147-M225 WeakPolarHBondContact CA-O 3.36Å; I147-M225 HydrophobicContact CD1-SD 4.47Å; I147-M225 HydrophobicContact CG1-CB 4.32Å; I147-M225 HydrophobicContact CG2-CB 4.31Å; I147-M225 HydrophobicContact CG2-CG 4.25Å; I148-M225 PolarHBondContact N-O 3.29Å; M225-V227 HydrophobicContact CE-CG2 3.34Å; M225-V227 HydrophobicContact CG-CG2 4.19Å; M225-V227 HydrophobicContact SD-CG2 4.43Å; M225-F250 CarbonylContact C-O 3.49Å; M225-F250 VanDerWaalsContact CA-O 3.29Å; M225-F250 WeakPolarHBondContact CA-O 3.41Å; M225-F250 HydrophobicContact CB-CD1 4.43Å; M225-F250 HydrophobicContact CE-CD1 4.21Å; M225-F250 HydrophobicContact CE-CE1 3.97Å; M225-F250 HydrophobicContact CG-CB 4.49Å; M225-F250 HydrophobicContact CG-CD1 3.84Å; M225-F250 HydrophobicContact CG-CG 4.43Å; M225-F250 HydrophobicContact SD-CD1 3.7Å; M225-F250 HydrophobicContact SD-CE1 3.94Å; M225-I252 HydrophobicContact CE-CD1 3.29Å; M225-I252 HydrophobicContact CE-CG1 3.93Å
226	I	98.7	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136	170.1	-173.5	171.6	0	0	0	111	I148 I150 L220 F228 L244 Y248 F250 I251 I252	I148-I226 HydrophobicContact CB-CB 4.24Å; I148-I226 HydrophobicContact CB-CD1 4.29Å; I148-I226 HydrophobicContact CB-CG1 3.89Å; I148-I226 HydrophobicContact CG2-CD1 4.01Å; I148-I226 HydrophobicContact CG2-CG1 3.94Å; I148-I226 CarbonylContact O-C 3.45Å; I148-I226 WeakPolarHBondContact O-CA 3.4Å; I150-I226 HydrophobicContact CG1-CD1 3.98Å; I150-I226 HydrophobicContact CG1-CG1 4.22Å; L220-I226 HydrophobicContact CD1-CD1 3.92Å; I226-F228 HydrophobicContact CD1-CE2 3.72Å; I226-F228 HydrophobicContact CD1-CZ 3.82Å; I226-F228 HydrophobicContact CG1-CD2 4.38Å; I226-F228 HydrophobicContact CG1-CE2 3.7Å; I226-F228 HydrophobicContact CG1-CZ 4.23Å; I226-F228 HydrophobicContact CG2-CE2 4.42Å; I226-L244 HydrophobicContact CD1-CD2 3.92Å; I226-Y248 HydrophobicContact CB-CG 4.46Å; I226-Y248 HydrophobicContact CD1-CD2 4.44Å; I226-Y248 HydrophobicContact CD1-CE2 4.3Å; I226-Y248 HydrophobicContact CG2-CD2 3.99Å; I226-Y248 HydrophobicContact CG2-CG 4.01Å; I226-F250 PolarHBondContact N-O 3.45Å; I226-I251 HydrophobicContact CG2-CB 3.95Å; I226-I251 HydrophobicContact CG2-CD1 4.38Å; I226-I251 HydrophobicContact CG2-CG1 3.62Å; I226-I251 HydrophobicContact CG2-CG2 3.72Å; I226-I251 WeakPolarHBondContact O-CA 3.4Å; I226-I252 PolarHBondContact O-N 3.24Å
227	V	98.8	Very high	95.1	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.2	-174.3	178.7	0	0	0	0	110.6	F121 I147 I148 I150 D157 M225 I252	F121-V227 HydrophobicContact CD2-CG1 4.11Å; F121-V227 HydrophobicContact CE2-CB 4.46Å; F121-V227 HydrophobicContact CE2-CG1 3.53Å; F121-V227 HydrophobicContact CE2-CG2 4.02Å; F121-V227 HydrophobicContact CZ-CG1 4.43Å; F121-V227 HydrophobicContact CZ-CG2 4.23Å; I147-V227 HydrophobicContact CG2-CG2 4.16Å; I148-V227 PolarHBondContact O-N 3.41Å; I150-V227 PolarHBondContact N-O 2.84Å; D157-V227 HydrophobicContact CB-CG1 4.14Å; D157-V227 WeakPolarHBondContact OD2-CG1 3.41Å; M225-V227 HydrophobicContact CE-CG2 3.34Å; M225-V227 HydrophobicContact CG-CG2 4.19Å; M225-V227 HydrophobicContact SD-CG2 4.43Å; V227-I252 CarbonylContact C-O 3.48Å; V227-I252 WeakPolarHBondContact CA-O 3.23Å
228	F	97.9	Very high	94.9	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	95.2	168.4	-61.4	-102.3	0	0	0	108	I150 F211 I226 A231 T233 M236 W241 L244 I251 I252 V253 L254	I150-F228 HydrophobicContact CB-CD1 3.64Å; I150-F228 HydrophobicContact CB-CE1 3.5Å; I150-F228 HydrophobicContact CB-CG 4.35Å; I150-F228 HydrophobicContact CB-CZ 4.11Å; I150-F228 HydrophobicContact CG1-CD1 4.25Å; I150-F228 HydrophobicContact CG1-CE1 3.68Å; I150-F228 HydrophobicContact CG1-CE2 4.44Å; I150-F228 HydrophobicContact CG1-CZ 3.78Å; I150-F228 HydrophobicContact CG2-CD1 3.85Å; I150-F228 HydrophobicContact CG2-CE1 3.58Å; I150-F228 HydrophobicContact CG2-CZ 4.5Å; F211-F228 HydrophobicContact CD1-CE1 4.05Å; F211-F228 AromaticContact CE1-CE1 3.82Å; F211-F228 HydrophobicContact CE1-CE1 3.82Å; F211-F228 AromaticContact CE1-CZ 3.91Å; F211-F228 HydrophobicContact CE1-CZ 3.91Å; I226-F228 HydrophobicContact CD1-CE2 3.72Å; I226-F228 HydrophobicContact CD1-CZ 3.82Å; I226-F228 HydrophobicContact CG1-CD2 4.38Å; I226-F228 HydrophobicContact CG1-CE2 3.7Å; I226-F228 HydrophobicContact CG1-CZ 4.23Å; I226-F228 HydrophobicContact CG2-CE2 4.42Å; F228-A231 HydrophobicContact CB-CB 4.06Å; F228-A231 HydrophobicContact CD1-CB 4.25Å; F228-T233 HydrophobicContact CB-CG2 3.88Å; F228-T233 HydrophobicContact CD1-CG2 3.98Å; F228-T233 HydrophobicContact CG-CG2 4.18Å; F228-M236 HydrophobicContact CD1-CE 3.95Å; F228-M236 HydrophobicContact CD1-SD 3.96Å; F228-M236 HydrophobicContact CE1-CE 4.02Å; F228-M236 HydrophobicContact CE1-SD 3.71Å; F228-W241 HydrophobicContact CD1-CH2 4.4Å; F228-W241 HydrophobicContact CD2-CZ3 4.35Å; F228-W241 HydrophobicContact CE1-CH2 4.26Å; F228-W241 HydrophobicContact CE1-CZ3 4.23Å; F228-W241 AromaticContact CE2-CZ3 3.99Å; F228-W241 HydrophobicContact CE2-CZ3 3.99Å; F228-W241 HydrophobicContact CZ-CH2 4.43Å; F228-W241 AromaticContact CZ-CZ3 3.94Å; F228-W241 HydrophobicContact CZ-CZ3 3.94Å; F228-L244 HydrophobicContact CE2-CD1 4.05Å; F228-L244 HydrophobicContact CZ-CD1 3.74Å; F228-I251 HydrophobicContact CD2-CG2 4.46Å; F228-I251 HydrophobicContact CE2-CG2 4.33Å; F228-I252 PolarHBondContact N-O 3.4Å; F228-V253 HydrophobicContact CB-CB 4.34Å; F228-V253 HydrophobicContact CB-CG1 4.11Å; F228-V253 HydrophobicContact CB-CG2 4.08Å; F228-V253 HydrophobicContact CD2-CG2 3.93Å; F228-V253 HydrophobicContact CG-CG2 4.24Å; F228-V253 WeakPolarHBondContact O-CA 3.1Å; F228-L254 PolarHBondContact O-N 3.11Å
229	S	97.1	Very high	94.8	Very high	11 Å²	11	31.8 Å²	31.8	8%	0.077	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	102	-178.2	-170.8	0	0	0	0	111	A231	S229-A231 PolarHBondContact O-N 3.37Å
230	F	93.8	Very high	94.7	Very high	29 Å²	29	27.6 Å²	27.6	13%	0.127	17%	0.17	C	C	.	.	S	Bend	trans	54.1	37.3	-172.9	-56.3	-77.5	0	0	0	113.1	N232 L254 T279	F230-N232 PolarHBondContact O-N 3.22Å; F230-L254 WeakPolarHBondContact CA-O 3.15Å; F230-L254 HydrophobicContact CD2-CD2 4.16Å; F230-L254 HydrophobicContact CE1-CG 4.46Å; F230-L254 HydrophobicContact CE2-CD2 3.42Å; F230-L254 VanDerWaalsContact CE2-CD2 3.42Å; F230-L254 HydrophobicContact CE2-CG 4.05Å; F230-L254 HydrophobicContact CZ-CD2 3.72Å; F230-L254 HydrophobicContact CZ-CG 3.96Å; F230-L254 PolarHBondContact N-O 3.17Å; F230-T279 HydrophobicContact CE1-CG2 3.96Å; F230-T279 HydrophobicContact CZ-CG2 4.03Å
231	A	93.1	Very high	94.6	Very high	14 Å²	14	27.4 Å²	27.4	12%	0.116	17%	0.168	C	C	.	.			trans	-80.2	5.1	-173.7	0	0	0	0	0	114.5	I150 F228 S229 T233 M236	I150-A231 WeakPolarHBondContact O-CB 3.35Å; F228-A231 HydrophobicContact CB-CB 4.06Å; F228-A231 HydrophobicContact CD1-CB 4.25Å; S229-A231 PolarHBondContact O-N 3.37Å; A231-T233 HydrophobicContact CB-CG2 4.44Å; A231-M236 HydrophobicContact CB-CE 4.24Å
232	N	88.6	Confident	94.5	Very high	31 Å²	31	28 Å²	28	17%	0.166	17%	0.172	C	C	.	.			trans	55.4	51.2	-172.8	-60.1	-63	0	0	0	112.6	F230 A234 L235 D255	F230-N232 PolarHBondContact O-N 3.22Å; N232-A234 PolarHBondContact O-N 3.26Å; N232-L235 HydrophobicContact CB-CD1 4.06Å; N232-L235 HydrophobicContact CB-CG 4.35Å; N232-L235 WeakPolarHBondContact O-CB 3.49Å; N232-L235 PolarHBondContact O-N 2.89Å; N232-D255 WeakPolarHBondContact CA-OD2 3.36Å; N232-D255 PolarHBondContact N-OD2 2.91Å
233	T	91.6	Very high	94.5	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.018	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-56.2	-22.7	-177.7	53.8	0	0	0	0	114	F228 A231 L235 M236 W241 V253 D255 F265	F228-T233 HydrophobicContact CB-CG2 3.88Å; F228-T233 HydrophobicContact CD1-CG2 3.98Å; F228-T233 HydrophobicContact CG-CG2 4.18Å; A231-T233 HydrophobicContact CB-CG2 4.44Å; T233-L235 PolarHBondContact O-N 2.99Å; T233-L235 VanDerWaalsContact O-N 3.13Å; T233-M236 HydrophobicContact CG2-SD 4.26Å; T233-M236 WeakPolarHBondContact O-CB 3.41Å; T233-M236 PolarHBondContact O-N 3.26Å; T233-W241 HydrophobicContact CG2-CH2 3.85Å; T233-W241 HydrophobicContact CG2-CZ2 4.35Å; T233-V253 HydrophobicContact CG2-CG1 3.72Å; T233-D255 PolarHBondContact N-OD2 2.84Å; T233-D255 PolarHBondContact OG1-OD2 2.97Å; T233-F265 HydrophobicContact CG2-CZ 4.41Å
234	A	88.3	Confident	94.5	Very high	33 Å²	33	24.2 Å²	24.2	27%	0.273	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-58	-20.8	171.3	0	0	0	0	0	115.1	N232 K258 V261	N232-A234 PolarHBondContact O-N 3.26Å; A234-K258 HydrophobicContact CB-CD 3.62Å; A234-V261 VanDerWaalsContact CA-CG2 3.46Å; A234-V261 HydrophobicContact CB-CG2 3.38Å
235	L	87.2	Confident	94.4	Very high	55 Å²	55	24.2 Å²	24.2	29%	0.288	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-86.6	-10	177.5	-62.8	179.8	0	0	0	112.7	E94 N212 N232 T233	E94-L235 HydrophobicContact CB-CD2 3.97Å; E94-L235 HydrophobicContact CG-CD2 3.75Å; N212-L235 PolarHBondContact OD1-O 3.16Å; N232-L235 HydrophobicContact CB-CD1 4.06Å; N232-L235 HydrophobicContact CB-CG 4.35Å; N232-L235 WeakPolarHBondContact O-CB 3.49Å; N232-L235 PolarHBondContact O-N 2.89Å; T233-L235 PolarHBondContact O-N 2.99Å; T233-L235 VanDerWaalsContact O-N 3.13Å
236	M	92	Very high	94.2	Very high	24 Å²	24	31.1 Å²	31.1	12%	0.118	18%	0.182	C	C	.	.	S	Bend	trans	-92.8	149.9	-175.7	-53.7	176.2	179.4	0	0	110.7	I150 F211 F228 A231 T233 S238 I240 W241	I150-M236 HydrophobicContact CG2-CE 3.85Å; F211-M236 HydrophobicContact CD1-CE 4.23Å; F211-M236 HydrophobicContact CD1-SD 3.98Å; F211-M236 HydrophobicContact CE1-SD 4.37Å; F228-M236 HydrophobicContact CD1-CE 3.95Å; F228-M236 HydrophobicContact CD1-SD 3.96Å; F228-M236 HydrophobicContact CE1-CE 4.02Å; F228-M236 HydrophobicContact CE1-SD 3.71Å; A231-M236 HydrophobicContact CB-CE 4.24Å; T233-M236 HydrophobicContact CG2-SD 4.26Å; T233-M236 WeakPolarHBondContact O-CB 3.41Å; T233-M236 PolarHBondContact O-N 3.26Å; M236-S238 PolarHBondContact O-N 3.48Å; M236-I240 HydrophobicContact CB-CD1 3.66Å; M236-I240 HydrophobicContact CG-CD1 4.44Å; M236-I240 HydrophobicContact SD-CD1 4.17Å; M236-W241 HydrophobicContact SD-CH2 4.18Å
237	A	93	Very high	94	Very high	33 Å²	33	35.3 Å²	35.3	27%	0.273	20%	0.198	S	C	.	.			trans	-66.6	127.5	178	0	0	0	0	0	110.5	N212 T239 I240	N212-A237 WeakPolarHBondContact O-CB 3.41Å; N212-A237 PolarHBondContact O-N 3.11Å; A237-T239 PolarHBondContact O-N 3.26Å; A237-I240 HydrophobicContact CB-CG2 4.43Å; A237-I240 WeakPolarHBondContact O-CG1 3.38Å; A237-I240 WeakPolarHBondContact O-CG2 3.28Å; A237-I240 PolarHBondContact O-N 2.88Å; A237-I240 VanDerWaalsContact O-N 3.1Å
238	S	92.3	Very high	94	Very high	62 Å²	62	35.3 Å²	35.3	43%	0.434	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.8	-179.7	57.1	0	0	0	0	113.7	M236 I240 W241 S264	M236-S238 PolarHBondContact O-N 3.48Å; S238-I240 PolarHBondContact O-N 3.04Å; S238-W241 PolarHBondContact O-N 2.83Å; S238-S264 WeakPolarHBondContact CB-OG 3.07Å
239	T	93.5	Very high	93.9	Very high	90 Å²	90	36.9 Å²	36.9	55%	0.552	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.5	176.9	54.6	0	0	0	0	114.2	A237	A237-T239 PolarHBondContact O-N 3.26Å
240	I	96.1	Very high	93.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-75.7	-27.6	178.2	73.3	-167.5	0	0	0	112.6	F211 V217 M236 A237 S238 L243 L244	F211-I240 HydrophobicContact CE1-CD1 3.87Å; V217-I240 HydrophobicContact CG2-CB 3.78Å; V217-I240 HydrophobicContact CG2-CG2 3.86Å; M236-I240 HydrophobicContact CB-CD1 3.66Å; M236-I240 HydrophobicContact CG-CD1 4.44Å; M236-I240 HydrophobicContact SD-CD1 4.17Å; A237-I240 HydrophobicContact CB-CG2 4.43Å; A237-I240 WeakPolarHBondContact O-CG1 3.38Å; A237-I240 WeakPolarHBondContact O-CG2 3.28Å; A237-I240 PolarHBondContact O-N 2.88Å; A237-I240 VanDerWaalsContact O-N 3.1Å; S238-I240 PolarHBondContact O-N 3.04Å; I240-L243 WeakPolarHBondContact O-CB 3.21Å; I240-L243 PolarHBondContact O-N 3.46Å; I240-L243 VanDerWaalsContact O-N 3.15Å; I240-L244 HydrophobicContact CG1-CD1 4.17Å; I240-L244 WeakPolarHBondContact O-CG 3.39Å; I240-L244 PolarHBondContact O-N 2.88Å
241	W	96.1	Very high	94.1	Very high	3 Å²	3	35 Å²	35	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-46.2	-170.6	-52.5	123.3	0	0	0	112.9	F228 T233 M236 S238 L243 L244 Q245 V253 F265 A268 F270	F228-W241 HydrophobicContact CD1-CH2 4.4Å; F228-W241 HydrophobicContact CD2-CZ3 4.35Å; F228-W241 HydrophobicContact CE1-CH2 4.26Å; F228-W241 HydrophobicContact CE1-CZ3 4.23Å; F228-W241 AromaticContact CE2-CZ3 3.99Å; F228-W241 HydrophobicContact CE2-CZ3 3.99Å; F228-W241 HydrophobicContact CZ-CH2 4.43Å; F228-W241 AromaticContact CZ-CZ3 3.94Å; F228-W241 HydrophobicContact CZ-CZ3 3.94Å; T233-W241 HydrophobicContact CG2-CH2 3.85Å; T233-W241 HydrophobicContact CG2-CZ2 4.35Å; M236-W241 HydrophobicContact SD-CH2 4.18Å; S238-W241 PolarHBondContact O-N 2.83Å; W241-L243 VanDerWaalsContact C-N 3.3Å; W241-L243 PolarHBondContact O-N 3.09Å; W241-L244 HydrophobicContact CE3-CD1 3.83Å; W241-L244 HydrophobicContact CZ3-CD1 3.92Å; W241-L244 PolarHBondContact O-N 2.83Å; W241-Q245 WeakPolarHBondContact O-CG 3.35Å; W241-Q245 PolarHBondContact O-N 3.29Å; W241-V253 HydrophobicContact CZ3-CG2 4.26Å; W241-F265 AromaticContact CD2-CD1 3.98Å; W241-F265 HydrophobicContact CD2-CD1 3.98Å; W241-F265 AromaticContact CD2-CE1 3.38Å; W241-F265 HydrophobicContact CD2-CE1 3.38Å; W241-F265 HydrophobicContact CD2-CZ 4.21Å; W241-F265 AromaticContact CE2-CE1 3.3Å; W241-F265 AromaticContact CE2-CZ 3.66Å; W241-F265 HydrophobicContact CE3-CD1 4.36Å; W241-F265 AromaticContact CE3-CE1 3.55Å; W241-F265 HydrophobicContact CE3-CE1 3.55Å; W241-F265 HydrophobicContact CE3-CZ 4.38Å; W241-F265 HydrophobicContact CG-CD1 4.2Å; W241-F265 HydrophobicContact CG-CE1 4.07Å; W241-F265 AromaticContact CH2-CE1 3.62Å; W241-F265 HydrophobicContact CH2-CE1 3.62Å; W241-F265 AromaticContact CH2-CZ 3.6Å; W241-F265 HydrophobicContact CH2-CZ 3.6Å; W241-F265 AromaticContact CZ2-CE1 3.44Å; W241-F265 HydrophobicContact CZ2-CE1 3.44Å; W241-F265 VanDerWaalsContact CZ2-CE1 3.44Å; W241-F265 HydrophobicContact CZ2-CE2 4.47Å; W241-F265 AromaticContact CZ2-CZ 3.36Å; W241-F265 HydrophobicContact CZ2-CZ 3.36Å; W241-F265 AromaticContact CZ3-CE1 3.66Å; W241-F265 HydrophobicContact CZ3-CE1 3.66Å; W241-F265 HydrophobicContact CZ3-CZ 4.11Å; W241-F265 AromaticContact NE1-CE1 3.87Å; W241-A268 HydrophobicContact CB-CB 3.67Å; W241-F270 HydrophobicContact CB-CE2 3.98Å; W241-F270 HydrophobicContact CE3-CZ 4.33Å
242	P	95.3	Very high	94.4	Very high	55 Å²	55	34.3 Å²	34.3	36%	0.357	19%	0.188	S	C	.	.	H	α-helix	trans	-62.9	-35.4	174.3	-22.8	35.5	0	0	0	112.9	Q245 Q246 A268	P242-Q245 PolarHBondContact O-N 3.34Å; P242-Q246 VanDerWaalsContact O-CG 3.31Å; P242-Q246 WeakPolarHBondContact O-CG 3.34Å; P242-Q246 PolarHBondContact O-N 2.85Å; P242-Q246 VanDerWaalsContact O-N 3.11Å; P242-A268 HydrophobicContact CG-CB 4.38Å
243	L	96.2	Very high	94.8	Very high	32 Å²	32	32.9 Å²	32.9	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-66.8	-40	177.9	-57.4	175.2	0	0	0	111.4	R214 V217 I240 W241 Q246 R247	R214-L243 HydrophobicContact CB-CD1 4.02Å; R214-L243 HydrophobicContact CG-CD1 3.8Å; V217-L243 HydrophobicContact CG1-CB 4.05Å; I240-L243 WeakPolarHBondContact O-CB 3.21Å; I240-L243 PolarHBondContact O-N 3.46Å; I240-L243 VanDerWaalsContact O-N 3.15Å; W241-L243 VanDerWaalsContact C-N 3.3Å; W241-L243 PolarHBondContact O-N 3.09Å; L243-Q246 PolarHBondContact O-N 3.11Å; L243-R247 PolarHBondContact O-N 3.23Å
244	L	97.6	Very high	95	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-40.7	176.3	-70.2	173.1	0	0	0	111.5	F211 V217 L220 I226 F228 I240 W241 Q246 R247 Y248 I251	F211-L244 HydrophobicContact CZ-CD1 4.47Å; F211-L244 HydrophobicContact CZ-CD2 4.36Å; V217-L244 HydrophobicContact CG1-CD2 3.93Å; V217-L244 HydrophobicContact CG1-CG 4.44Å; V217-L244 HydrophobicContact CG2-CD2 4.21Å; V217-L244 HydrophobicContact CG2-CG 4.33Å; L220-L244 HydrophobicContact CD1-CD2 3.93Å; I226-L244 HydrophobicContact CD1-CD2 3.92Å; F228-L244 HydrophobicContact CE2-CD1 4.05Å; F228-L244 HydrophobicContact CZ-CD1 3.74Å; I240-L244 HydrophobicContact CG1-CD1 4.17Å; I240-L244 WeakPolarHBondContact O-CG 3.39Å; I240-L244 PolarHBondContact O-N 2.88Å; W241-L244 HydrophobicContact CE3-CD1 3.83Å; W241-L244 HydrophobicContact CZ3-CD1 3.92Å; W241-L244 PolarHBondContact O-N 2.83Å; L244-Q246 VanDerWaalsContact C-N 3.29Å; L244-Q246 PolarHBondContact O-N 3.27Å; L244-R247 PolarHBondContact O-N 3.34Å; L244-R247 VanDerWaalsContact O-N 3.14Å; L244-Y248 HydrophobicContact CB-CD2 4.4Å; L244-Y248 HydrophobicContact CD2-CD2 3.79Å; L244-Y248 HydrophobicContact CD2-CE2 3.63Å; L244-Y248 WeakPolarHBondContact O-CD2 3.48Å; L244-Y248 PolarHBondContact O-N 2.98Å; L244-I251 HydrophobicContact CB-CD1 3.8Å
245	Q	96	Very high	95.1	Very high	29 Å²	29	31.6 Å²	31.6	14%	0.136	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-34.3	176.3	-70.1	174.2	-45.3	0	0	112.8	W241 P242 R247 I251 A268 F270 H284	W241-Q245 WeakPolarHBondContact O-CG 3.35Å; W241-Q245 PolarHBondContact O-N 3.29Å; P242-Q245 PolarHBondContact O-N 3.34Å; Q245-R247 VanDerWaalsContact C-N 3.3Å; Q245-I251 HydrophobicContact CB-CD1 4.45Å; Q245-I251 HydrophobicContact CG-CD1 3.87Å; Q245-A268 PolarHBondContact NE2-O 3.46Å; Q245-A268 PolarHBondContact OE1-O 3.43Å; Q245-F270 HydrophobicContact CG-CE2 3.72Å; Q245-F270 HydrophobicContact CG-CZ 4.15Å; Q245-F270 VanDerWaalsContact NE2-CD2 3.34Å; Q245-F270 VanDerWaalsContact NE2-CE2 3.35Å; Q245-H284 HydrophobicContact CG-CB 4.16Å; Q245-H284 PolarHBondContact NE2-ND1 3.1Å
246	Q	94.6	Very high	94.9	Very high	145 Å²	145	30.3 Å²	30.3	68%	0.678	17%	0.169	S	C	*	.	H	α-helix	trans	-67	-32	174.1	-71.9	171.2	12	0	0	112.3	P242 L243 L244	P242-Q246 VanDerWaalsContact O-CG 3.31Å; P242-Q246 WeakPolarHBondContact O-CG 3.34Å; P242-Q246 PolarHBondContact O-N 2.85Å; P242-Q246 VanDerWaalsContact O-N 3.11Å; L243-Q246 PolarHBondContact O-N 3.11Å; L244-Q246 VanDerWaalsContact C-N 3.29Å; L244-Q246 PolarHBondContact O-N 3.27Å
247	R	95.6	Very high	94.1	Very high	89 Å²	89	32.9 Å²	32.9	34%	0.336	18%	0.182	S	C	.	.	H	α-helix	trans	-90.6	-37.3	-178.3	-99.3	-171.9	93.2	157.9	9.9	114.6	V217 E218 L220 D222 L243 L244 Q245	V217-R247 PolarHBondContact O-NH1 2.87Å; E218-R247 PolarHBondContact O-NH1 3.15Å; L220-R247 VanDerWaalsContact O-CZ 3.23Å; L220-R247 PolarHBondContact O-NH1 3.24Å; L220-R247 PolarHBondContact O-NH2 3.48Å; D222-R247 IonicContact OD1-NH2 3.96Å; D222-R247 PolarHBondContact OD1-NH2 3.13Å; L243-R247 PolarHBondContact O-N 3.23Å; L244-R247 PolarHBondContact O-N 3.34Å; L244-R247 VanDerWaalsContact O-N 3.14Å; Q245-R247 VanDerWaalsContact C-N 3.3Å
248	Y	97.1	Very high	93.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	18%	0.178	C	C	.	.			trans	-121.6	127.3	-166.3	-59	-69.2	0	0	0	111.2	I148 L220 P221 A223 I226 L244	I148-Y248 HydrophobicContact CD1-CE1 3.68Å; I148-Y248 HydrophobicContact CD1-CE2 4.49Å; I148-Y248 WeakPolarHBondContact CD1-OH 3.45Å; L220-Y248 WeakPolarHBondContact CB-OH 3.49Å; L220-Y248 HydrophobicContact CD1-CE2 4Å; P221-Y248 PolarHBondContact O-OH 3.21Å; A223-Y248 HydrophobicContact CB-CD1 4.23Å; A223-Y248 HydrophobicContact CB-CE1 3.87Å; A223-Y248 WeakPolarHBondContact O-CD1 3.43Å; I226-Y248 HydrophobicContact CB-CG 4.46Å; I226-Y248 HydrophobicContact CD1-CD2 4.44Å; I226-Y248 HydrophobicContact CD1-CE2 4.3Å; I226-Y248 HydrophobicContact CG2-CD2 3.99Å; I226-Y248 HydrophobicContact CG2-CG 4.01Å; L244-Y248 HydrophobicContact CB-CD2 4.4Å; L244-Y248 HydrophobicContact CD2-CD2 3.79Å; L244-Y248 HydrophobicContact CD2-CE2 3.63Å; L244-Y248 WeakPolarHBondContact O-CD2 3.48Å; L244-Y248 PolarHBondContact O-N 2.98Å
249	R	96	Very high	92	Very high	34 Å²	34	38.7 Å²	38.7	13%	0.128	20%	0.196	C	C	.	.	S	Bend	trans	-69	-35.3	-178.1	168.4	155.1	-82.7	171.9	0.1	113.1	Y139 F285 N286 G287 I288 L289	Y139-R249 HydrophobicContact CD2-CG 4.48Å; Y139-R249 HydrophobicContact CE1-CG 4.15Å; Y139-R249 HydrophobicContact CE2-CG 3.81Å; R249-F285 HydrophobicContact CG-CD2 4.36Å; R249-F285 HydrophobicContact CG-CE2 4.16Å; R249-F285 VanDerWaalsContact O-CA 3.3Å; R249-F285 WeakPolarHBondContact O-CA 3.48Å; R249-N286 PolarHBondContact NE-O 3.14Å; R249-N286 PolarHBondContact NH2-O 2.68Å; R249-N286 PolarHBondContact O-N 3.36Å; R249-G287 WeakPolarHBondContact CD-O 3.05Å; R249-G287 PolarHBondContact NE-O 3.49Å; R249-I288 PolarHBondContact NH1-O 2.98Å; R249-L289 PolarHBondContact NH1-O 2.93Å; R249-L289 PolarHBondContact NH2-O 3.11Å
250	F	98.3	Very high	90.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.8	178.9	-170.2	-149.1	0	0	0	111.8	L125 I129 V136 Y139 L140 M225 I226 I252 Y283 H284 F285	L125-F250 HydrophobicContact CD1-CE1 4.16Å; L125-F250 HydrophobicContact CD1-CZ 4.1Å; I129-F250 HydrophobicContact CD1-CZ 4.47Å; I129-F250 HydrophobicContact CG2-CE2 4.15Å; I129-F250 HydrophobicContact CG2-CZ 3.99Å; V136-F250 HydrophobicContact CG1-CE1 3.78Å; V136-F250 HydrophobicContact CG1-CE2 4.37Å; V136-F250 HydrophobicContact CG1-CZ 3.67Å; Y139-F250 HydrophobicContact CD1-CB 4.22Å; Y139-F250 HydrophobicContact CD1-CD1 4.48Å; Y139-F250 HydrophobicContact CE1-CB 3.75Å; L140-F250 HydrophobicContact CD2-CD1 3.9Å; L140-F250 HydrophobicContact CD2-CE1 3.79Å; L140-F250 HydrophobicContact CG-CE1 4.41Å; M225-F250 CarbonylContact C-O 3.49Å; M225-F250 VanDerWaalsContact CA-O 3.29Å; M225-F250 WeakPolarHBondContact CA-O 3.41Å; M225-F250 HydrophobicContact CB-CD1 4.43Å; M225-F250 HydrophobicContact CE-CD1 4.21Å; M225-F250 HydrophobicContact CE-CE1 3.97Å; M225-F250 HydrophobicContact CG-CB 4.49Å; M225-F250 HydrophobicContact CG-CD1 3.84Å; M225-F250 HydrophobicContact CG-CG 4.43Å; M225-F250 HydrophobicContact SD-CD1 3.7Å; M225-F250 HydrophobicContact SD-CE1 3.94Å; I226-F250 PolarHBondContact N-O 3.45Å; F250-I252 HydrophobicContact CD2-CG1 4.39Å; F250-I252 HydrophobicContact CE1-CD1 3.66Å; F250-I252 HydrophobicContact CE1-CG1 3.94Å; F250-I252 HydrophobicContact CE2-CD1 4.17Å; F250-I252 HydrophobicContact CE2-CG1 3.72Å; F250-I252 HydrophobicContact CZ-CD1 3.39Å; F250-I252 HydrophobicContact CZ-CG1 3.47Å; F250-I252 VanDerWaalsContact CZ-CG1 3.47Å; F250-Y283 HydrophobicContact CE2-CD2 4.29Å; F250-H284 CarbonylContact C-O 3.55Å; F250-H284 WeakPolarHBondContact CA-O 3.2Å; F250-H284 WeakPolarHBondContact CD2-O 3.19Å; F250-F285 HydrophobicContact CB-CD2 4.07Å; F250-F285 HydrophobicContact CD2-CB 4Å; F250-F285 HydrophobicContact CD2-CD2 4.02Å; F250-F285 HydrophobicContact CD2-CG 4.4Å; F250-F285 HydrophobicContact CE2-CB 4.43Å; F250-F285 HydrophobicContact CG-CD2 4.16Å
251	I	98.5	Very high	89.6	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.2	178.8	-47.4	177.1	0	0	0	108.2	I226 F228 L244 Q245 V253 F270 Y283 H284	I226-I251 HydrophobicContact CG2-CB 3.95Å; I226-I251 HydrophobicContact CG2-CD1 4.38Å; I226-I251 HydrophobicContact CG2-CG1 3.62Å; I226-I251 HydrophobicContact CG2-CG2 3.72Å; I226-I251 WeakPolarHBondContact O-CA 3.4Å; F228-I251 HydrophobicContact CD2-CG2 4.46Å; F228-I251 HydrophobicContact CE2-CG2 4.33Å; L244-I251 HydrophobicContact CB-CD1 3.8Å; Q245-I251 HydrophobicContact CB-CD1 4.45Å; Q245-I251 HydrophobicContact CG-CD1 3.87Å; I251-V253 HydrophobicContact CG2-CG2 4.41Å; I251-F270 HydrophobicContact CB-CE1 3.88Å; I251-F270 HydrophobicContact CB-CZ 4.13Å; I251-F270 HydrophobicContact CD1-CE1 4.44Å; I251-F270 HydrophobicContact CD1-CZ 3.82Å; I251-F270 HydrophobicContact CG2-CE1 3.62Å; I251-F270 HydrophobicContact CG2-CZ 3.87Å; I251-Y283 CarbonylContact O-C 3.19Å; I251-Y283 WeakPolarHBondContact O-CA 3.44Å; I251-Y283 WeakPolarHBondContact O-CB 3.27Å; I251-H284 HydrophobicContact CB-CB 4.19Å; I251-H284 HydrophobicContact CD1-CB 4.29Å; I251-H284 HydrophobicContact CG1-CB 4.33Å; I251-H284 PolarHBondContact N-O 3.18Å; I251-H284 PolarHBondContact O-N 3.22Å
252	I	98.3	Very high	88.7	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.4	171.3	-53.3	-177	0	0	0	109.2	F121 L125 I129 M225 I226 V227 F228 F250	F121-I252 HydrophobicContact CE2-CD1 4.23Å; F121-I252 HydrophobicContact CE2-CG2 4.4Å; F121-I252 HydrophobicContact CZ-CD1 4.2Å; L125-I252 HydrophobicContact CD1-CD1 3.87Å; I129-I252 HydrophobicContact CD1-CD1 3.95Å; I129-I252 HydrophobicContact CD1-CG1 4.11Å; I129-I252 HydrophobicContact CD1-CG2 4.11Å; M225-I252 HydrophobicContact CE-CD1 3.29Å; M225-I252 HydrophobicContact CE-CG1 3.93Å; I226-I252 PolarHBondContact O-N 3.24Å; V227-I252 CarbonylContact C-O 3.48Å; V227-I252 WeakPolarHBondContact CA-O 3.23Å; F228-I252 PolarHBondContact N-O 3.4Å; F250-I252 HydrophobicContact CD2-CG1 4.39Å; F250-I252 HydrophobicContact CE1-CD1 3.66Å; F250-I252 HydrophobicContact CE1-CG1 3.94Å; F250-I252 HydrophobicContact CE2-CD1 4.17Å; F250-I252 HydrophobicContact CE2-CG1 3.72Å; F250-I252 HydrophobicContact CZ-CD1 3.39Å; F250-I252 HydrophobicContact CZ-CG1 3.47Å; F250-I252 VanDerWaalsContact CZ-CG1 3.47Å
253	V	97.3	Very high	88.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.3	167.7	-176.8	0	0	0	0	108.7	F228 T233 W241 I251 D255 F265 F270 V281 Y282	F228-V253 HydrophobicContact CB-CB 4.34Å; F228-V253 HydrophobicContact CB-CG1 4.11Å; F228-V253 HydrophobicContact CB-CG2 4.08Å; F228-V253 HydrophobicContact CD2-CG2 3.93Å; F228-V253 HydrophobicContact CG-CG2 4.24Å; F228-V253 WeakPolarHBondContact O-CA 3.1Å; T233-V253 HydrophobicContact CG2-CG1 3.72Å; W241-V253 HydrophobicContact CZ3-CG2 4.26Å; I251-V253 HydrophobicContact CG2-CG2 4.41Å; V253-D255 HydrophobicContact CG1-CB 4.4Å; V253-F265 HydrophobicContact CB-CE1 4.35Å; V253-F265 HydrophobicContact CB-CZ 4.04Å; V253-F265 HydrophobicContact CG1-CE1 4.44Å; V253-F265 HydrophobicContact CG1-CE2 3.97Å; V253-F265 HydrophobicContact CG1-CZ 3.65Å; V253-F265 HydrophobicContact CG2-CE1 3.73Å; V253-F265 HydrophobicContact CG2-CZ 3.78Å; V253-F270 HydrophobicContact CG2-CE1 4.32Å; V253-V281 CarbonylContact O-C 3.49Å; V253-V281 VanDerWaalsContact O-CA 3.26Å; V253-V281 WeakPolarHBondContact O-CA 3.32Å; V253-Y282 HydrophobicContact CB-CD2 4.4Å; V253-Y282 HydrophobicContact CG1-CD2 4.35Å; V253-Y282 PolarHBondContact N-O 3.17Å; V253-Y282 PolarHBondContact O-N 3.01Å
254	L	95.3	Very high	87.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.2	171.3	177.5	76.8	0	0	0	107	F121 A124 F228 F230 L275 T279 V281	F121-L254 HydrophobicContact CB-CD2 4.39Å; A124-L254 HydrophobicContact CB-CD1 4.27Å; F228-L254 PolarHBondContact O-N 3.11Å; F230-L254 WeakPolarHBondContact CA-O 3.15Å; F230-L254 HydrophobicContact CD2-CD2 4.16Å; F230-L254 HydrophobicContact CE1-CG 4.46Å; F230-L254 HydrophobicContact CE2-CD2 3.42Å; F230-L254 VanDerWaalsContact CE2-CD2 3.42Å; F230-L254 HydrophobicContact CE2-CG 4.05Å; F230-L254 HydrophobicContact CZ-CD2 3.72Å; F230-L254 HydrophobicContact CZ-CG 3.96Å; F230-L254 PolarHBondContact N-O 3.17Å; L254-L275 HydrophobicContact CD1-CD2 3.72Å; L254-T279 HydrophobicContact CD1-CG2 3.33Å; L254-T279 HydrophobicContact CG-CG2 3.9Å; L254-V281 HydrophobicContact CD1-CG2 3.52Å
255	D	90.1	Very high	87.2	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	168.7	-178.3	-145.1	-23.7	0	0	0	112	N232 T233 V253 T279 K280	N232-D255 WeakPolarHBondContact CA-OD2 3.36Å; N232-D255 PolarHBondContact N-OD2 2.91Å; T233-D255 PolarHBondContact N-OD2 2.84Å; T233-D255 PolarHBondContact OG1-OD2 2.97Å; V253-D255 HydrophobicContact CG1-CB 4.4Å; D255-T279 WeakPolarHBondContact O-CA 3.17Å; D255-K280 PolarHBondContact N-O 3.2Å; D255-K280 VanDerWaalsContact N-O 3.08Å; D255-K280 PolarHBondContact O-N 3.35Å
256	G	84.7	Confident	86.7	Confident	29 Å²	29	45.3 Å²	45.3	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	143.9	169.8	0	0	0	0	0	111.1	K258 R278	G256-K258 PolarHBondContact O-N 3.44Å; G256-R278 WeakPolarHBondContact CA-O 3.44Å
257	I	74.3	Confident	86.4	Confident	78 Å²	78	45.2 Å²	45.2	40%	0.4	24%	0.238	S	C	.	.			trans	-63.7	118.6	176.7	-62.6	169.4	0	0	0	109.4	E277 R278 K280	I257-E277 WeakPolarHBondContact CD1-O 3.46Å; I257-R278 PolarHBondContact N-O 2.84Å; I257-R278 VanDerWaalsContact N-O 3.07Å; I257-K280 HydrophobicContact CG1-CB 3.99Å
258	K	72.1	Confident	86.2	Confident	43 Å²	43	41.8 Å²	41.8	19%	0.187	23%	0.228	C	C	.	.			trans	-138	122.9	172.2	-66.1	-178.8	-175.9	-173	0	108.3	E94 A234 G256 V260 V261	E94-K258 IonicContact OE1-NZ 3.99Å; E94-K258 PolarHBondContact OE1-NZ 3.29Å; A234-K258 HydrophobicContact CB-CD 3.62Å; G256-K258 PolarHBondContact O-N 3.44Å; K258-V260 VanDerWaalsContact C-N 3.29Å; K258-V260 HydrophobicContact CB-CG1 4.49Å; K258-V260 PolarHBondContact O-N 3.04Å; K258-V261 HydrophobicContact CB-CG2 4.02Å; K258-V261 PolarHBondContact O-N 3.41Å
259	E	68.2	Low	85.9	Confident	174 Å²	174	44 Å²	44	81%	0.813	25%	0.253	S	S	*	.	H	α-helix	trans	-53.6	-44.8	-175	-67.1	176.3	179	0	0	112.4	V261 V262	E259-V261 PolarHBondContact O-N 2.87Å; E259-V262 PolarHBondContact O-N 2.87Å; E259-V262 VanDerWaalsContact O-N 3.09Å
260	V	67.2	Low	85.9	Confident	107 Å²	107	42.8 Å²	42.8	65%	0.648	25%	0.248	S	C	*	.	H	α-helix	trans	-56.4	-23.5	-179.2	73.4	0	0	0	0	114.4	K258	K258-V260 VanDerWaalsContact C-N 3.29Å; K258-V260 HydrophobicContact CB-CG1 4.49Å; K258-V260 PolarHBondContact O-N 3.04Å
261	V	73.5	Confident	85.7	Confident	11 Å²	11	47.8 Å²	47.8	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-93.9	-26.6	-175.2	-174	0	0	0	0	111.9	A234 K258 E259 D263 S264 F265	A234-V261 VanDerWaalsContact CA-CG2 3.46Å; A234-V261 HydrophobicContact CB-CG2 3.38Å; K258-V261 HydrophobicContact CB-CG2 4.02Å; K258-V261 PolarHBondContact O-N 3.41Å; E259-V261 PolarHBondContact O-N 2.87Å; V261-D263 PolarHBondContact O-N 2.97Å; V261-S264 PolarHBondContact O-N 3.46Å; V261-F265 HydrophobicContact CG1-CD2 3.45Å; V261-F265 VanDerWaalsContact CG1-CD2 3.45Å; V261-F265 HydrophobicContact CG1-CE2 3.09Å; V261-F265 HydrophobicContact CG1-CZ 4.05Å; V261-F265 WeakPolarHBondContact O-CD2 3.36Å; V261-F265 PolarHBondContact O-N 3.34Å
262	V	77.4	Confident	85.5	Confident	26 Å²	26	51 Å²	51	16%	0.158	29%	0.287	C	S	.	.	H	α-helix	trans	-58.2	-51	-178.8	178.5	0	0	0	0	109.8	E259 S264 F265 L266 Y282	E259-V262 PolarHBondContact O-N 2.87Å; E259-V262 VanDerWaalsContact O-N 3.09Å; V262-S264 VanDerWaalsContact C-N 3.28Å; V262-S264 PolarHBondContact O-N 3.28Å; V262-F265 PolarHBondContact O-N 3.36Å; V262-L266 HydrophobicContact CG1-CD1 3.64Å; V262-L266 HydrophobicContact CG1-CG 4.19Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 2.85Å; V262-Y282 WeakPolarHBondContact CA-OH 3.45Å; V262-Y282 VanDerWaalsContact CG2-OH 3.24Å; V262-Y282 WeakPolarHBondContact CG2-OH 3.49Å
263	D	81.5	Confident	85.2	Confident	101 Å²	101	51.4 Å²	51.4	54%	0.54	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-37.7	-179.2	-64	-16.3	0	0	0	111.6	V261 F265 N267	V261-D263 PolarHBondContact O-N 2.97Å; D263-F265 PolarHBondContact O-N 3.34Å; D263-N267 WeakPolarHBondContact O-CB 3.41Å; D263-N267 PolarHBondContact O-N 3.2Å; D263-N267 PolarHBondContact O-ND2 2.62Å
264	S	84.7	Confident	84.9	Confident	31 Å²	31	55 Å²	55	22%	0.217	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-42.4	179.9	-65.4	0	0	0	0	112.4	S238 V261 V262 A268	S238-S264 WeakPolarHBondContact CB-OG 3.07Å; V261-S264 PolarHBondContact O-N 3.46Å; V262-S264 VanDerWaalsContact C-N 3.28Å; V262-S264 PolarHBondContact O-N 3.28Å; S264-A268 WeakPolarHBondContact O-CB 3.39Å; S264-A268 PolarHBondContact O-N 3.02Å
265	F	89.6	Confident	84.6	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-75.6	-43.5	179.3	-75	-56.2	0	0	0	112.7	T233 W241 V253 V261 V262 D263 A268 G269 F270 Y282	T233-F265 HydrophobicContact CG2-CZ 4.41Å; W241-F265 AromaticContact CD2-CD1 3.98Å; W241-F265 HydrophobicContact CD2-CD1 3.98Å; W241-F265 AromaticContact CD2-CE1 3.38Å; W241-F265 HydrophobicContact CD2-CE1 3.38Å; W241-F265 HydrophobicContact CD2-CZ 4.21Å; W241-F265 AromaticContact CE2-CE1 3.3Å; W241-F265 AromaticContact CE2-CZ 3.66Å; W241-F265 HydrophobicContact CE3-CD1 4.36Å; W241-F265 AromaticContact CE3-CE1 3.55Å; W241-F265 HydrophobicContact CE3-CE1 3.55Å; W241-F265 HydrophobicContact CE3-CZ 4.38Å; W241-F265 HydrophobicContact CG-CD1 4.2Å; W241-F265 HydrophobicContact CG-CE1 4.07Å; W241-F265 AromaticContact CH2-CE1 3.62Å; W241-F265 HydrophobicContact CH2-CE1 3.62Å; W241-F265 AromaticContact CH2-CZ 3.6Å; W241-F265 HydrophobicContact CH2-CZ 3.6Å; W241-F265 AromaticContact CZ2-CE1 3.44Å; W241-F265 HydrophobicContact CZ2-CE1 3.44Å; W241-F265 VanDerWaalsContact CZ2-CE1 3.44Å; W241-F265 HydrophobicContact CZ2-CE2 4.47Å; W241-F265 AromaticContact CZ2-CZ 3.36Å; W241-F265 HydrophobicContact CZ2-CZ 3.36Å; W241-F265 AromaticContact CZ3-CE1 3.66Å; W241-F265 HydrophobicContact CZ3-CE1 3.66Å; W241-F265 HydrophobicContact CZ3-CZ 4.11Å; W241-F265 AromaticContact NE1-CE1 3.87Å; V253-F265 HydrophobicContact CB-CE1 4.35Å; V253-F265 HydrophobicContact CB-CZ 4.04Å; V253-F265 HydrophobicContact CG1-CE1 4.44Å; V253-F265 HydrophobicContact CG1-CE2 3.97Å; V253-F265 HydrophobicContact CG1-CZ 3.65Å; V253-F265 HydrophobicContact CG2-CE1 3.73Å; V253-F265 HydrophobicContact CG2-CZ 3.78Å; V261-F265 HydrophobicContact CG1-CD2 3.45Å; V261-F265 VanDerWaalsContact CG1-CD2 3.45Å; V261-F265 HydrophobicContact CG1-CE2 3.09Å; V261-F265 HydrophobicContact CG1-CZ 4.05Å; V261-F265 WeakPolarHBondContact O-CD2 3.36Å; V261-F265 PolarHBondContact O-N 3.34Å; V262-F265 PolarHBondContact O-N 3.36Å; D263-F265 PolarHBondContact O-N 3.34Å; F265-A268 CarbonylContact O-C 3.6Å; F265-A268 PolarHBondContact O-N 2.89Å; F265-G269 PolarHBondContact O-N 3.3Å; F265-G269 VanDerWaalsContact O-N 3.15Å; F265-F270 HydrophobicContact CB-CB 4.06Å; F265-F270 HydrophobicContact CB-CG 4.36Å; F265-F270 HydrophobicContact CD1-CD1 4.09Å; F265-F270 HydrophobicContact CD1-CD2 4.09Å; F265-F270 HydrophobicContact CD1-CE1 4.31Å; F265-F270 HydrophobicContact CD1-CE2 4.33Å; F265-F270 AromaticContact CD1-CG 3.99Å; F265-F270 HydrophobicContact CD1-CG 3.99Å; F265-F270 HydrophobicContact CD1-CZ 4.43Å; F265-F270 HydrophobicContact CE1-CE1 4.49Å; F265-F270 WeakPolarHBondContact O-CB 3.32Å; F265-F270 PolarHBondContact O-N 3.37Å; F265-Y282 HydrophobicContact CB-CD1 3.48Å; F265-Y282 VanDerWaalsContact CB-CD1 3.48Å; F265-Y282 HydrophobicContact CB-CE1 3.85Å; F265-Y282 HydrophobicContact CB-CG 3.87Å; F265-Y282 HydrophobicContact CD1-CG 4.42Å; F265-Y282 AromaticContact CD2-CD1 3.78Å; F265-Y282 HydrophobicContact CD2-CD1 3.78Å; F265-Y282 AromaticContact CD2-CD2 3.35Å; F265-Y282 HydrophobicContact CD2-CD2 3.35Å; F265-Y282 AromaticContact CD2-CE1 3.88Å; F265-Y282 HydrophobicContact CD2-CE1 3.88Å; F265-Y282 AromaticContact CD2-CE2 3.47Å; F265-Y282 HydrophobicContact CD2-CE2 3.47Å; F265-Y282 VanDerWaalsContact CD2-CE2 3.47Å; F265-Y282 AromaticContact CD2-CG 3.49Å; F265-Y282 HydrophobicContact CD2-CG 3.49Å; F265-Y282 VanDerWaalsContact CD2-CG 3.49Å; F265-Y282 AromaticContact CD2-CZ 3.71Å; F265-Y282 AromaticContact CE2-CD2 3.6Å; F265-Y282 HydrophobicContact CE2-CD2 3.6Å; F265-Y282 AromaticContact CE2-CE2 3.79Å; F265-Y282 HydrophobicContact CE2-CE2 3.79Å; F265-Y282 HydrophobicContact CE2-CG 4.11Å; F265-Y282 AromaticContact CG-CD1 3.83Å; F265-Y282 HydrophobicContact CG-CD1 3.83Å; F265-Y282 HydrophobicContact CG-CD2 4.05Å; F265-Y282 HydrophobicContact CG-CE1 4.25Å; F265-Y282 HydrophobicContact CG-CE2 4.45Å; F265-Y282 AromaticContact CG-CG 3.7Å; F265-Y282 HydrophobicContact CG-CG 3.7Å; F265-Y282 HydrophobicContact CZ-CD2 4.49Å
266	L	86.7	Confident	84.5	Confident	71 Å²	71	58.5 Å²	58.5	37%	0.372	33%	0.332	S	S	.	.	H	α-helix	trans	-66.2	-41	179.6	-65.6	-177.4	0	0	0	111.5	V262 A268 G269 D272	V262-L266 HydrophobicContact CG1-CD1 3.64Å; V262-L266 HydrophobicContact CG1-CG 4.19Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 2.85Å; L266-A268 PolarHBondContact O-N 3.37Å; L266-G269 WeakPolarHBondContact O-CA 3.4Å; L266-G269 PolarHBondContact O-N 3.19Å; L266-D272 HydrophobicContact CD2-CB 4.14Å
267	N	88.6	Confident	84.5	Confident	143 Å²	143	65.9 Å²	65.9	77%	0.765	36%	0.358	S	S	*	.	H	α-helix	trans	-64.6	-29	174.7	-69.8	-25.1	0	0	0	112.5	D263 G269	D263-N267 WeakPolarHBondContact O-CB 3.41Å; D263-N267 PolarHBondContact O-N 3.2Å; D263-N267 PolarHBondContact O-ND2 2.62Å; N267-G269 VanDerWaalsContact C-N 3.26Å
268	A	90	Very high	85.1	Confident	17 Å²	17	71.8 Å²	71.8	14%	0.14	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.1	171.4	0	0	0	0	0	112.7	W241 P242 Q245 S264 F265 L266 F270	W241-A268 HydrophobicContact CB-CB 3.67Å; P242-A268 HydrophobicContact CG-CB 4.38Å; Q245-A268 PolarHBondContact NE2-O 3.46Å; Q245-A268 PolarHBondContact OE1-O 3.43Å; S264-A268 WeakPolarHBondContact O-CB 3.39Å; S264-A268 PolarHBondContact O-N 3.02Å; F265-A268 CarbonylContact O-C 3.6Å; F265-A268 PolarHBondContact O-N 2.89Å; L266-A268 PolarHBondContact O-N 3.37Å; A268-F270 HydrophobicContact CB-CD2 3.95Å; A268-F270 HydrophobicContact CB-CE2 4.16Å
269	G	91.8	Very high	86	Confident	50 Å²	50	70.4 Å²	70.4	52%	0.515	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	24.1	180	0	0	0	0	0	114.4	F265 L266 N267	F265-G269 PolarHBondContact O-N 3.3Å; F265-G269 VanDerWaalsContact O-N 3.15Å; L266-G269 WeakPolarHBondContact O-CA 3.4Å; L266-G269 PolarHBondContact O-N 3.19Å; N267-G269 VanDerWaalsContact C-N 3.26Å
270	F	95.7	Very high	87.1	Confident	7 Å²	7	63.3 Å²	63.3	3%	0.031	34%	0.338	C	S	.	.			trans	-71.1	141.8	165.9	-77.7	-116.4	0	0	0	109.8	W241 Q245 I251 V253 F265 A268 H284	W241-F270 HydrophobicContact CB-CE2 3.98Å; W241-F270 HydrophobicContact CE3-CZ 4.33Å; Q245-F270 HydrophobicContact CG-CE2 3.72Å; Q245-F270 HydrophobicContact CG-CZ 4.15Å; Q245-F270 VanDerWaalsContact NE2-CD2 3.34Å; Q245-F270 VanDerWaalsContact NE2-CE2 3.35Å; I251-F270 HydrophobicContact CB-CE1 3.88Å; I251-F270 HydrophobicContact CB-CZ 4.13Å; I251-F270 HydrophobicContact CD1-CE1 4.44Å; I251-F270 HydrophobicContact CD1-CZ 3.82Å; I251-F270 HydrophobicContact CG2-CE1 3.62Å; I251-F270 HydrophobicContact CG2-CZ 3.87Å; V253-F270 HydrophobicContact CG2-CE1 4.32Å; F265-F270 HydrophobicContact CB-CB 4.06Å; F265-F270 HydrophobicContact CB-CG 4.36Å; F265-F270 HydrophobicContact CD1-CD1 4.09Å; F265-F270 HydrophobicContact CD1-CD2 4.09Å; F265-F270 HydrophobicContact CD1-CE1 4.31Å; F265-F270 HydrophobicContact CD1-CE2 4.33Å; F265-F270 AromaticContact CD1-CG 3.99Å; F265-F270 HydrophobicContact CD1-CG 3.99Å; F265-F270 HydrophobicContact CD1-CZ 4.43Å; F265-F270 HydrophobicContact CE1-CE1 4.49Å; F265-F270 WeakPolarHBondContact O-CB 3.32Å; F265-F270 PolarHBondContact O-N 3.37Å; A268-F270 HydrophobicContact CB-CD2 3.95Å; A268-F270 HydrophobicContact CB-CE2 4.16Å; F270-H284 HydrophobicContact CD1-CB 4.14Å; F270-H284 HydrophobicContact CE1-CB 4Å; F270-H284 HydrophobicContact CE2-CB 4.41Å; F270-H284 HydrophobicContact CG-CB 4.42Å; F270-H284 HydrophobicContact CZ-CB 4.13Å
271	K	94.9	Very high	88.5	Confident	106 Å²	106	58.2 Å²	58.2	46%	0.461	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.7	163.6	-68.2	-178.4	175.7	-172.7	0	109.1	Y282 Y283	K271-Y282 CarbonylContact O-C 3.52Å; K271-Y282 WeakPolarHBondContact O-CA 3.4Å; K271-Y283 HydrophobicContact CB-CD1 3.82Å; K271-Y283 HydrophobicContact CB-CE1 3.42Å; K271-Y283 VanDerWaalsContact CB-CE1 3.42Å; K271-Y283 HydrophobicContact CB-CE2 4.42Å; K271-Y283 HydrophobicContact CB-CG 4.48Å; K271-Y283 HydrophobicContact CD-CE1 3.95Å; K271-Y283 HydrophobicContact CD-CE2 3.88Å; K271-Y283 VanDerWaalsContact CD-CZ 3.4Å; K271-Y283 WeakPolarHBondContact CD-OH 3.48Å; K271-Y283 HydrophobicContact CG-CE1 4.34Å; K271-Y283 PolarHBondContact N-O 2.97Å; K271-Y283 PolarHBondContact O-N 3Å
272	D	93	Very high	89.5	Confident	66 Å²	66	58 Å²	58	35%	0.353	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.1	-179.5	73.7	-51.4	0	0	0	112.7	L266 K280 V281 Y282	L266-D272 HydrophobicContact CD2-CB 4.14Å; D272-K280 WeakPolarHBondContact OD2-CE 3.4Å; D272-K280 IonicContact OD2-NZ 2.71Å; D272-K280 PolarHBondContact OD2-NZ 3.47Å; D272-V281 CarbonylContact C-O 3.57Å; D272-V281 VanDerWaalsContact CA-O 3.28Å; D272-V281 WeakPolarHBondContact CA-O 3.23Å; D272-Y282 HydrophobicContact CB-CD1 3.61Å; D272-Y282 HydrophobicContact CB-CE1 3.82Å
273	I	91.7	Very high	90.5	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.6	178.6	-46.8	172.3	0	0	0	108.4	R128 I129 E132 L275 V281 Y283	R128-I273 HydrophobicContact CB-CD1 3.71Å; R128-I273 HydrophobicContact CB-CG2 4.11Å; R128-I273 HydrophobicContact CG-CG2 4.15Å; I129-I273 HydrophobicContact CG1-CD1 4.2Å; E132-I273 VanDerWaalsContact CD-CD1 3.4Å; E132-I273 VanDerWaalsContact OE1-CD1 3.24Å; E132-I273 WeakPolarHBondContact OE1-CD1 3.21Å; E132-I273 WeakPolarHBondContact OE1-CG1 3.35Å; E132-I273 VanDerWaalsContact OE2-CD1 3.25Å; E132-I273 WeakPolarHBondContact OE2-CD1 3.39Å; I273-L275 PolarHBondContact O-N 3.12Å; I273-V281 HydrophobicContact CB-CB 4.29Å; I273-V281 PolarHBondContact N-O 2.97Å; I273-V281 PolarHBondContact O-N 3.37Å; I273-Y283 HydrophobicContact CD1-CD1 4.22Å; I273-Y283 HydrophobicContact CD1-CE1 3.74Å; I273-Y283 HydrophobicContact CG1-CE1 4.11Å
274	T	91	Very high	91.3	Very high	76 Å²	76	53.5 Å²	53.5	47%	0.466	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	114.7	168.7	-60.1	0	0	0	0	108.7	R128 T276	R128-T274 PolarHBondContact NH2-O 3.2Å; T274-T276 WeakPolarHBondContact CG2-O 3.35Å
275	L	89.6	Confident	91.9	Very high	20 Å²	20	53.2 Å²	53.2	11%	0.105	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-46.1	178.5	-176.2	68.4	0	0	0	111.2	S120 Q123 A124 R128 L254 I273 T279 V281	S120-L275 WeakPolarHBondContact O-CD2 3.24Å; Q123-L275 HydrophobicContact CB-CD1 3.96Å; A124-L275 HydrophobicContact CB-CD2 4.38Å; R128-L275 HydrophobicContact CG-CD1 3.91Å; L254-L275 HydrophobicContact CD1-CD2 3.72Å; I273-L275 PolarHBondContact O-N 3.12Å; L275-T279 HydrophobicContact CD2-CG2 4.26Å; L275-T279 PolarHBondContact N-O 2.8Å; L275-V281 HydrophobicContact CB-CG2 4Å; L275-V281 HydrophobicContact CD2-CG2 4.4Å
276	T	88.5	Confident	92.1	Very high	61 Å²	61	56.6 Å²	56.6	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	173.4	173.8	73.5	0	0	0	0	109.2	T274 R278 T279	T274-T276 WeakPolarHBondContact CG2-O 3.35Å; T276-R278 PolarHBondContact O-N 3.43Å; T276-R278 PolarHBondContact OG1-N 3.48Å; T276-T279 PolarHBondContact N-O 3.48Å; T276-T279 VanDerWaalsContact N-O 3.16Å; T276-T279 PolarHBondContact O-N 3.37Å; T276-T279 VanDerWaalsContact O-O 3.13Å; T276-T279 WeakPolarHBondContact OG1-CB 3.45Å; T276-T279 PolarHBondContact OG1-N 2.98Å; T276-T279 VanDerWaalsContact OG1-N 3.16Å; T276-T279 PolarHBondContact OG1-OG1 3.1Å
277	E	85.5	Confident	92.3	Very high	184 Å²	184	54.5 Å²	54.5	86%	0.86	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-14.6	173.6	-61.9	179.7	175.5	0	0	114.4	I257	I257-E277 WeakPolarHBondContact CD1-O 3.46Å
278	R	85.5	Confident	92.2	Very high	202 Å²	202	50 Å²	50	76%	0.762	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-9.6	-177.6	-60	-175.1	-175	-166.5	0.6	113.9	G256 I257 T276	G256-R278 WeakPolarHBondContact CA-O 3.44Å; I257-R278 PolarHBondContact N-O 2.84Å; I257-R278 VanDerWaalsContact N-O 3.07Å; T276-R278 PolarHBondContact O-N 3.43Å; T276-R278 PolarHBondContact OG1-N 3.48Å
279	T	90.5	Very high	91.6	Very high	15 Å²	15	56 Å²	56	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.2	-169.4	-51.8	0	0	0	0	110.3	F230 L254 D255 L275 T276	F230-T279 HydrophobicContact CE1-CG2 3.96Å; F230-T279 HydrophobicContact CZ-CG2 4.03Å; L254-T279 HydrophobicContact CD1-CG2 3.33Å; L254-T279 HydrophobicContact CG-CG2 3.9Å; D255-T279 WeakPolarHBondContact O-CA 3.17Å; L275-T279 HydrophobicContact CD2-CG2 4.26Å; L275-T279 PolarHBondContact N-O 2.8Å; T276-T279 PolarHBondContact N-O 3.48Å; T276-T279 VanDerWaalsContact N-O 3.16Å; T276-T279 PolarHBondContact O-N 3.37Å; T276-T279 VanDerWaalsContact O-O 3.13Å; T276-T279 WeakPolarHBondContact OG1-CB 3.45Å; T276-T279 PolarHBondContact OG1-N 2.98Å; T276-T279 VanDerWaalsContact OG1-N 3.16Å; T276-T279 PolarHBondContact OG1-OG1 3.1Å
280	K	93	Very high	90.1	Very high	25 Å²	25	58.7 Å²	58.7	11%	0.109	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145	174.7	-155.3	158.3	-176	-156.8	0	110	D255 I257 D272 Y282	D255-K280 PolarHBondContact N-O 3.2Å; D255-K280 VanDerWaalsContact N-O 3.08Å; D255-K280 PolarHBondContact O-N 3.35Å; I257-K280 HydrophobicContact CG1-CB 3.99Å; D272-K280 WeakPolarHBondContact OD2-CE 3.4Å; D272-K280 IonicContact OD2-NZ 2.71Å; D272-K280 PolarHBondContact OD2-NZ 3.47Å; K280-Y282 HydrophobicContact CB-CE2 4.05Å; K280-Y282 HydrophobicContact CD-CE1 4.13Å; K280-Y282 HydrophobicContact CD-CE2 4.42Å; K280-Y282 WeakPolarHBondContact CD-OH 3.3Å; K280-Y282 HydrophobicContact CG-CE1 4.33Å; K280-Y282 HydrophobicContact CG-CE2 4.13Å
281	V	95.2	Very high	88.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.2	172.8	178.9	0	0	0	0	106.9	A124 I129 V253 L254 D272 I273 L275	A124-V281 HydrophobicContact CB-CG1 4.25Å; A124-V281 HydrophobicContact CB-CG2 3.48Å; A124-V281 VanDerWaalsContact CB-CG2 3.48Å; I129-V281 HydrophobicContact CD1-CG1 3.97Å; I129-V281 HydrophobicContact CG1-CG1 4.32Å; V253-V281 CarbonylContact O-C 3.49Å; V253-V281 VanDerWaalsContact O-CA 3.26Å; V253-V281 WeakPolarHBondContact O-CA 3.32Å; L254-V281 HydrophobicContact CD1-CG2 3.52Å; D272-V281 CarbonylContact C-O 3.57Å; D272-V281 VanDerWaalsContact CA-O 3.28Å; D272-V281 WeakPolarHBondContact CA-O 3.23Å; I273-V281 HydrophobicContact CB-CB 4.29Å; I273-V281 PolarHBondContact N-O 2.97Å; I273-V281 PolarHBondContact O-N 3.37Å; L275-V281 HydrophobicContact CB-CG2 4Å; L275-V281 HydrophobicContact CD2-CG2 4.4Å
282	Y	95.9	Very high	85.8	Confident	5 Å²	5	66.4 Å²	66.4	2%	0.02	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.9	164.9	-51.7	-91.9	0	0	0	107.7	V253 V262 F265 K271 D272 K280	V253-Y282 HydrophobicContact CB-CD2 4.4Å; V253-Y282 HydrophobicContact CG1-CD2 4.35Å; V253-Y282 PolarHBondContact N-O 3.17Å; V253-Y282 PolarHBondContact O-N 3.01Å; V262-Y282 WeakPolarHBondContact CA-OH 3.45Å; V262-Y282 VanDerWaalsContact CG2-OH 3.24Å; V262-Y282 WeakPolarHBondContact CG2-OH 3.49Å; F265-Y282 HydrophobicContact CB-CD1 3.48Å; F265-Y282 VanDerWaalsContact CB-CD1 3.48Å; F265-Y282 HydrophobicContact CB-CE1 3.85Å; F265-Y282 HydrophobicContact CB-CG 3.87Å; F265-Y282 HydrophobicContact CD1-CG 4.42Å; F265-Y282 AromaticContact CD2-CD1 3.78Å; F265-Y282 HydrophobicContact CD2-CD1 3.78Å; F265-Y282 AromaticContact CD2-CD2 3.35Å; F265-Y282 HydrophobicContact CD2-CD2 3.35Å; F265-Y282 AromaticContact CD2-CE1 3.88Å; F265-Y282 HydrophobicContact CD2-CE1 3.88Å; F265-Y282 AromaticContact CD2-CE2 3.47Å; F265-Y282 HydrophobicContact CD2-CE2 3.47Å; F265-Y282 VanDerWaalsContact CD2-CE2 3.47Å; F265-Y282 AromaticContact CD2-CG 3.49Å; F265-Y282 HydrophobicContact CD2-CG 3.49Å; F265-Y282 VanDerWaalsContact CD2-CG 3.49Å; F265-Y282 AromaticContact CD2-CZ 3.71Å; F265-Y282 AromaticContact CE2-CD2 3.6Å; F265-Y282 HydrophobicContact CE2-CD2 3.6Å; F265-Y282 AromaticContact CE2-CE2 3.79Å; F265-Y282 HydrophobicContact CE2-CE2 3.79Å; F265-Y282 HydrophobicContact CE2-CG 4.11Å; F265-Y282 AromaticContact CG-CD1 3.83Å; F265-Y282 HydrophobicContact CG-CD1 3.83Å; F265-Y282 HydrophobicContact CG-CD2 4.05Å; F265-Y282 HydrophobicContact CG-CE1 4.25Å; F265-Y282 HydrophobicContact CG-CE2 4.45Å; F265-Y282 AromaticContact CG-CG 3.7Å; F265-Y282 HydrophobicContact CG-CG 3.7Å; F265-Y282 HydrophobicContact CZ-CD2 4.49Å; K271-Y282 CarbonylContact O-C 3.52Å; K271-Y282 WeakPolarHBondContact O-CA 3.4Å; D272-Y282 HydrophobicContact CB-CD1 3.61Å; D272-Y282 HydrophobicContact CB-CE1 3.82Å; K280-Y282 HydrophobicContact CB-CE2 4.05Å; K280-Y282 HydrophobicContact CD-CE1 4.13Å; K280-Y282 HydrophobicContact CD-CE2 4.42Å; K280-Y282 WeakPolarHBondContact CD-OH 3.3Å; K280-Y282 HydrophobicContact CG-CE1 4.33Å; K280-Y282 HydrophobicContact CG-CE2 4.13Å
283	Y	97.5	Very high	83.5	Confident	1 Å²	1	68 Å²	68	0%	0.004	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.7	175.6	76.4	-78.1	0	0	0	112.7	I129 E132 F250 I251 K271 I273 F285	I129-Y283 HydrophobicContact CD1-CD1 4.41Å; I129-Y283 HydrophobicContact CD1-CG 4.16Å; I129-Y283 HydrophobicContact CG1-CD1 3.92Å; I129-Y283 HydrophobicContact CG1-CD2 4.46Å; I129-Y283 HydrophobicContact CG1-CE1 4.25Å; I129-Y283 HydrophobicContact CG1-CG 4.02Å; I129-Y283 HydrophobicContact CG2-CD2 3.92Å; I129-Y283 HydrophobicContact CG2-CE2 3.94Å; I129-Y283 HydrophobicContact CG2-CG 4.31Å; E132-Y283 PolarHBondContact OE2-OH 3.38Å; F250-Y283 HydrophobicContact CE2-CD2 4.29Å; I251-Y283 CarbonylContact O-C 3.19Å; I251-Y283 WeakPolarHBondContact O-CA 3.44Å; I251-Y283 WeakPolarHBondContact O-CB 3.27Å; K271-Y283 HydrophobicContact CB-CD1 3.82Å; K271-Y283 HydrophobicContact CB-CE1 3.42Å; K271-Y283 VanDerWaalsContact CB-CE1 3.42Å; K271-Y283 HydrophobicContact CB-CE2 4.42Å; K271-Y283 HydrophobicContact CB-CG 4.48Å; K271-Y283 HydrophobicContact CD-CE1 3.95Å; K271-Y283 HydrophobicContact CD-CE2 3.88Å; K271-Y283 VanDerWaalsContact CD-CZ 3.4Å; K271-Y283 WeakPolarHBondContact CD-OH 3.48Å; K271-Y283 HydrophobicContact CG-CE1 4.34Å; K271-Y283 PolarHBondContact N-O 2.97Å; K271-Y283 PolarHBondContact O-N 3Å; I273-Y283 HydrophobicContact CD1-CD1 4.22Å; I273-Y283 HydrophobicContact CD1-CE1 3.74Å; I273-Y283 HydrophobicContact CG1-CE1 4.11Å; Y283-F285 HydrophobicContact CD2-CB 4.43Å
284	H	97.5	Very high	81	Confident	32 Å²	32	73.5 Å²	73.5	15%	0.148	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.3	170.5	169.6	81.4	0	0	0	107.9	Q245 F250 I251 F270	Q245-H284 HydrophobicContact CG-CB 4.16Å; Q245-H284 PolarHBondContact NE2-ND1 3.1Å; F250-H284 CarbonylContact C-O 3.55Å; F250-H284 WeakPolarHBondContact CA-O 3.2Å; F250-H284 WeakPolarHBondContact CD2-O 3.19Å; I251-H284 HydrophobicContact CB-CB 4.19Å; I251-H284 HydrophobicContact CD1-CB 4.29Å; I251-H284 HydrophobicContact CG1-CB 4.33Å; I251-H284 PolarHBondContact N-O 3.18Å; I251-H284 PolarHBondContact O-N 3.22Å; F270-H284 HydrophobicContact CD1-CB 4.14Å; F270-H284 HydrophobicContact CE1-CB 4Å; F270-H284 HydrophobicContact CE2-CB 4.41Å; F270-H284 HydrophobicContact CG-CB 4.42Å; F270-H284 HydrophobicContact CZ-CB 4.13Å
285	F	97.5	Very high	78.5	Confident	26 Å²	26	73.2 Å²	73.2	11%	0.114	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	117.9	174.2	179.7	-117.5	0	0	0	110.5	N133 D135 V136 Y139 R249 F250 Y283 G287 I288	N133-F285 WeakPolarHBondContact ND2-CD1 3.42Å; D135-F285 HydrophobicContact CB-CE1 3.9Å; D135-F285 HydrophobicContact CB-CZ 4.46Å; V136-F285 HydrophobicContact CG2-CB 4.26Å; V136-F285 HydrophobicContact CG2-CD1 3.64Å; V136-F285 HydrophobicContact CG2-CD2 4.15Å; V136-F285 HydrophobicContact CG2-CE1 3.91Å; V136-F285 HydrophobicContact CG2-CE2 4.43Å; V136-F285 HydrophobicContact CG2-CG 3.74Å; V136-F285 HydrophobicContact CG2-CZ 4.3Å; Y139-F285 HydrophobicContact CD1-CD2 4.41Å; Y139-F285 AromaticContact CD1-CE2 3.64Å; Y139-F285 HydrophobicContact CD1-CE2 3.64Å; Y139-F285 HydrophobicContact CD1-CZ 4.48Å; Y139-F285 HydrophobicContact CD2-CE2 4.12Å; Y139-F285 HydrophobicContact CE1-CE2 4.29Å; Y139-F285 AromaticContact CG-CE2 3.54Å; Y139-F285 HydrophobicContact CG-CE2 3.54Å; Y139-F285 AromaticContact CG-CZ 4Å; Y139-F285 HydrophobicContact CG-CZ 4Å; R249-F285 HydrophobicContact CG-CD2 4.36Å; R249-F285 HydrophobicContact CG-CE2 4.16Å; R249-F285 VanDerWaalsContact O-CA 3.3Å; R249-F285 WeakPolarHBondContact O-CA 3.48Å; F250-F285 HydrophobicContact CB-CD2 4.07Å; F250-F285 HydrophobicContact CD2-CB 4Å; F250-F285 HydrophobicContact CD2-CD2 4.02Å; F250-F285 HydrophobicContact CD2-CG 4.4Å; F250-F285 HydrophobicContact CE2-CB 4.43Å; F250-F285 HydrophobicContact CG-CD2 4.16Å; Y283-F285 HydrophobicContact CD2-CB 4.43Å; F285-G287 PolarHBondContact O-N 3.27Å; F285-I288 HydrophobicContact CZ-CG1 4.11Å
286	N	94.7	Very high	75.9	Confident	71 Å²	71	79.4 Å²	79.4	38%	0.38	44%	0.435	S	S	.	.			trans	-97.9	43.8	-176.3	-164.8	24.1	0	0	0	113.6	R249 L291	R249-N286 PolarHBondContact NE-O 3.14Å; R249-N286 PolarHBondContact NH2-O 2.68Å; R249-N286 PolarHBondContact O-N 3.36Å; N286-L291 WeakPolarHBondContact ND2-CD2 3.17Å
287	G	91.6	Very high	73.7	Confident	27 Å²	27	84.4 Å²	84.4	28%	0.278	46%	0.457	S	S	.	.			trans	62.7	-177.4	176.3	0	0	0	0	0	115.1	R249 F285	R249-G287 WeakPolarHBondContact CD-O 3.05Å; R249-G287 PolarHBondContact NE-O 3.49Å; F285-G287 PolarHBondContact O-N 3.27Å
288	I	86.2	Confident	71.3	Confident	48 Å²	48	90.2 Å²	90.2	25%	0.246	47%	0.472	C	S	.	.	S	Bend	trans	-95.9	-31.6	178.9	-57.9	165.4	0	0	0	111.8	D135 I138 R249 F285	D135-I288 HydrophobicContact CB-CD1 3.76Å; D135-I288 HydrophobicContact CB-CG1 4.2Å; I138-I288 HydrophobicContact CB-CD1 3.78Å; I138-I288 HydrophobicContact CD1-CD1 4.44Å; I138-I288 HydrophobicContact CG2-CD1 3.68Å; R249-I288 PolarHBondContact NH1-O 2.98Å; F285-I288 HydrophobicContact CZ-CG1 4.11Å
289	L	76.5	Confident	70.5	Confident	143 Å²	143	84.7 Å²	84.7	75%	0.749	46%	0.457	S	S	*	.	S	Bend	trans	-55.3	146.3	178.8	-65.5	173.3	0	0	0	110.5	R249 L291	R249-L289 PolarHBondContact NH1-O 2.93Å; R249-L289 PolarHBondContact NH2-O 3.11Å; L289-L291 PolarHBondContact O-N 2.88Å
290	P	60.2	Low	69.5	Low	107 Å²	107	88.3 Å²	88.3	70%	0.695	48%	0.476	S	S	*	.			trans	-48.4	143	176.2	-24.2	32.9	0	0	0	111.1	E292	P290-E292 PolarHBondContact O-N 3.27Å
291	L	55.2	Low	68.2	Low	91 Å²	91	91.8 Å²	91.8	48%	0.476	50%	0.497	S	S	.	.			trans	-55.6	114.3	162.7	-86.8	119.4	0	0	0	104.4	N286 L289 S293	N286-L291 WeakPolarHBondContact ND2-CD2 3.17Å; L289-L291 PolarHBondContact O-N 2.88Å; L291-S293 PolarHBondContact O-N 3.09Å
292	E	45.6	Very low	66.6	Low	183 Å²	183	97.2 Å²	97.2	86%	0.855	53%	0.526	S	S	*	.			trans	-50.7	115.3	164.1	-72.1	-176.7	168.9	0	0	104.6	P290 S294	P290-E292 PolarHBondContact O-N 3.27Å; E292-S294 PolarHBondContact O-N 3.02Å
293	S	43.7	Very low	64.8	Low	100 Å²	100	103 Å²	103	70%	0.699	56%	0.557	S	S	*	*			trans	-53	116.9	175.5	54.3	0	0	0	0	105.2	L291 A295	L291-S293 PolarHBondContact O-N 3.09Å; S293-A295 PolarHBondContact O-N 3.38Å
294	S	41	Very low	62.6	Low	127 Å²	127	109.8 Å²	109.8	89%	0.888	59%	0.594	S	S	*	*			trans	-67.9	61.7	164.5	47.2	0	0	0	0	108.3	E292	E292-S294 PolarHBondContact O-N 3.02Å
295	A	38.6	Very low	60.1	Low	70 Å²	70	115.4 Å²	115.4	58%	0.579	63%	0.626	S	S	*	*			trans	-106	57.8	168	0	0	0	0	0	106.4	S293	S293-A295 PolarHBondContact O-N 3.38Å
296	D	34.8	Very low	57.2	Low	149 Å²	149	122.2 Å²	122.2	80%	0.797	67%	0.666	S	S	*	*			trans	-165.5	57.3	165	-95.7	-25.5	0	0	0	110.6
297	I	41.4	Very low	54.1	Low	167 Å²	167	126.5 Å²	126.5	86%	0.856	69%	0.689	S	S	*	*			trans	-132.1	107.5	146.6	-57.7	-178.7	0	0	0	106.2
298	R	34.5	Very low	50.7	Low	306 Å²	306	135.5 Å²	135.5	100%	1.155	73%	0.727	S	S	*	*			trans	-61.3	0	176.5	-67	176.4	177.4	-178.9	-1.8	112.5

Retrieved 298 of 298 residues in 305 ms (Link to these results)

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