A0A096N9C5_PAPAN Loading...

Uridylate-specific endoribonuclease

Endoribonuclease that cleaves single-stranded RNAs at 5' of uridylates and releases a product with a 2',3'-cyclic phosphate at the 3'-end. The UU and GU sites are more efficiently cleaved than CU and AU sites. Targets mRNAs to regulate their expression.

AlphaFold DB , UniProt , Accession A0A096N9C5, Species PAPAN (Papio anubis, Olive baboon), Gene ENDOU, Length 411 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	41.3	Very low	239 Å²	239	147.5 Å²	147.5	100%	1.177	84%	0.835	S	S	*	*				0	146.5	0	-86.7	-176.4	-87.3	0	0	108.9
2	R	43.3	Very low	41.4	Very low	244 Å²	244	147.9 Å²	147.9	92%	0.921	83%	0.832	S	S	*	*			trans	49.8	105.6	169.6	-64.4	-176.8	178.2	179.8	-1.5	117.1
3	A	35.4	Very low	40.9	Very low	102 Å²	102	146.5 Å²	146.5	84%	0.843	84%	0.836	S	S	*	*			trans	-117	138.8	149.3	0	0	0	0	0	107.5
4	C	36.9	Very low	40.6	Very low	122 Å²	122	143.5 Å²	143.5	82%	0.824	83%	0.828	S	S	*	*			trans	-98	152.9	-176.9	-62.8	0	0	0	0	111.4
5	I	42.4	Very low	40.5	Very low	160 Å²	160	145.1 Å²	145.1	82%	0.821	83%	0.831	S	S	*	*			trans	-100.5	134.4	174	-60.8	172.1	0	0	0	109.1
6	P	48.9	Very low	40.5	Very low	116 Å²	116	141.9 Å²	141.9	75%	0.753	83%	0.828	S	S	*	*				-119.3	128.4	125.5	1.1	19.4	0	0	0	109.3
7	L	43.6	Very low	40.6	Very low	150 Å²	150	148.9 Å²	148.9	79%	0.785	84%	0.837	S	S	*	*				75.1	122.6	65.2	-157.7	170.3	0	0	0	111.2
8	V	40.6	Very low	40.9	Very low	117 Å²	117	146.1 Å²	146.1	71%	0.709	84%	0.836	S	S	*	*			trans	143.2	124.9	154.9	166	0	0	0	0	113.5
9	L	40.4	Very low	41.3	Very low	149 Å²	149	141.4 Å²	141.4	78%	0.78	82%	0.823	S	S	*	*			trans	60.4	111.6	158.2	-72.1	165.7	0	0	0	123.7	V11	L9-V11 HydrophobicContact CD2-CG2 4.19Å
10	A	39.3	Very low	42	Very low	99 Å²	99	142 Å²	142	82%	0.818	82%	0.815	S	S	*	*				-147.3	96.7	129.5	0	0	0	0	0	106.5
11	V	42.7	Very low	42.9	Very low	125 Å²	125	140.3 Å²	140.3	76%	0.758	80%	0.801	S	S	*	*				64.2	121.2	82.6	-177.8	0	0	0	0	112.7	L9	L9-V11 HydrophobicContact CD2-CG2 4.19Å
12	L	42.8	Very low	44.9	Very low	152 Å²	152	134.5 Å²	134.5	80%	0.796	77%	0.771	S	S	*	*			trans	-82.7	137.7	-170.2	-70.7	151.8	0	0	0	113.3
13	C	34.5	Very low	47	Very low	130 Å²	130	125.1 Å²	125.1	88%	0.878	74%	0.743	S	S	*	*			trans	-138.8	69.4	155	-86.6	0	0	0	0	110.3	L15	C13-L15 PolarHBondContact O-N 3.07Å; C13-L15 VanDerWaalsContact O-N 3.07Å
14	S	36.3	Very low	49.7	Very low	104 Å²	104	120.2 Å²	120.2	73%	0.727	70%	0.703	S	S	*	*			trans	-77.3	86.2	174	46.9	0	0	0	0	111.2	A16	S14-A16 PolarHBondContact O-N 3.17Å; S14-A16 VanDerWaalsContact O-N 3.12Å
15	L	39.3	Very low	52.2	Low	167 Å²	167	117.3 Å²	117.3	87%	0.874	69%	0.687	S	S	*	*			trans	-71.9	95.8	165.3	-78.1	171.1	0	0	0	109.3	C13 W17	C13-L15 PolarHBondContact O-N 3.07Å; C13-L15 VanDerWaalsContact O-N 3.07Å; L15-W17 PolarHBondContact O-N 3.11Å
16	A	41.5	Very low	54.1	Low	95 Å²	95	116.2 Å²	116.2	79%	0.785	69%	0.694	S	S	*	*			trans	-70.6	93.4	172.6	0	0	0	0	0	110	S14 A18	S14-A16 PolarHBondContact O-N 3.17Å; S14-A16 VanDerWaalsContact O-N 3.12Å; A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 3.36Å
17	W	41.8	Very low	56	Low	260 Å²	260	111.6 Å²	111.6	99%	0.985	66%	0.662	S	S	*	*			trans	-77.5	82	174.3	-132.8	27	0	0	0	109.4	L15 G19	L15-W17 PolarHBondContact O-N 3.11Å; W17-G19 PolarHBondContact O-N 2.95Å
18	A	45.3	Very low	58.2	Low	98 Å²	98	106.4 Å²	106.4	81%	0.81	64%	0.637	S	S	*	*			trans	-70.4	71.3	169.9	0	0	0	0	0	109.8	A16 K20	A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 3.36Å; A18-K20 PolarHBondContact O-N 3.12Å
19	G	48.6	Very low	60.4	Low	58 Å²	58	104.9 Å²	104.9	60%	0.598	63%	0.625	S	S	*	*			trans	-62.6	121.9	172.1	0	0	0	0	0	109.3	W17 M21	W17-G19 PolarHBondContact O-N 2.95Å; G19-M21 PolarHBondContact O-N 3Å
20	K	56.4	Low	62.7	Low	152 Å²	152	100.2 Å²	100.2	66%	0.661	60%	0.6	S	S	*	*			trans	-63.6	129	171.9	-67.8	-176.9	177	-178.6	0	109.2	A18 E22 A37	A18-K20 PolarHBondContact O-N 3.12Å; K20-E22 HydrophobicContact CB-CG 3.81Å; K20-E22 HydrophobicContact CD-CG 4.27Å; K20-E22 WeakPolarHBondContact CD-OE1 3.49Å; K20-E22 IonicContact NZ-OE1 2.9Å; K20-E22 PolarHBondContact NZ-OE1 2.84Å; K20-E22 PolarHBondContact O-N 3.15Å; K20-E22 VanDerWaalsContact O-N 3.11Å; K20-A37 HydrophobicContact CB-CB 4.38Å; K20-A37 HydrophobicContact CD-CB 4.47Å
21	M	60.6	Low	65.1	Low	107 Å²	107	104.8 Å²	104.8	53%	0.527	60%	0.601	S	S	.	*			trans	-85.8	83.3	177.9	-54.1	-176.4	91	0	0	108.9	G19 R27 C38	G19-M21 PolarHBondContact O-N 3Å; M21-R27 PolarHBondContact O-NH1 3.11Å; M21-C38 PolarHBondContact O-SG 3.34Å
22	E	82.3	Confident	67.2	Low	117 Å²	117	104.5 Å²	104.5	55%	0.547	59%	0.59	S	S	.	*			trans	-92.6	10.6	-174.3	-67.8	177.3	158.1	0	0	113.4	K20 A37 C38	K20-E22 HydrophobicContact CB-CG 3.81Å; K20-E22 HydrophobicContact CD-CG 4.27Å; K20-E22 WeakPolarHBondContact CD-OE1 3.49Å; K20-E22 IonicContact NZ-OE1 2.9Å; K20-E22 PolarHBondContact NZ-OE1 2.84Å; K20-E22 PolarHBondContact O-N 3.15Å; K20-E22 VanDerWaalsContact O-N 3.11Å; E22-A37 HydrophobicContact CG-CB 3.78Å; E22-C38 VanDerWaalsContact CA-SG 3.56Å
23	S	88.3	Confident	69.2	Low	47 Å²	47	100.5 Å²	100.5	33%	0.329	57%	0.569	S	S	.	*			trans	-139	151.8	-176.4	159.1	0	0	0	0	112	A25 R27 D53	S23-A25 WeakPolarHBondContact OG-CB 3.43Å; S23-A25 PolarHBondContact OG-N 3.41Å; S23-A25 VanDerWaalsContact OG-N 3.15Å; S23-R27 WeakPolarHBondContact O-CD 3.49Å; S23-R27 PolarHBondContact O-NH1 2.79Å; S23-D53 WeakPolarHBondContact CA-OD1 3.24Å; S23-D53 WeakPolarHBondContact CA-OD2 3.46Å; S23-D53 VanDerWaalsContact CB-OD2 3.23Å; S23-D53 WeakPolarHBondContact CB-OD2 3.23Å; S23-D53 PolarHBondContact OG-OD2 2.98Å
24	C	91.4	Very high	71.6	Confident	0 Å²	0	103.3 Å²	103.3	0%	0	56%	0.561	C	S	.	*			trans	-91.4	5.5	175.1	-71.1	0	0	0	0	115.9	S26 R27 C40 C51 D53	C24-S26 PolarHBondContact O-N 3.39Å; C24-S26 VanDerWaalsContact O-N 3.11Å; C24-R27 PolarHBondContact O-N 2.82Å; C24-C40 WeakPolarHBondContact CA-SG 3.44Å; C24-C40 HydrophobicContact CB-CB 3.88Å; C24-C40 WeakPolarHBondContact CB-SG 3.25Å; C24-C40 VanDerWaalsContact SG-CA 3.57Å; C24-C40 WeakPolarHBondContact SG-CB 3.49Å; C24-C40 CovalentContact SG-SG 2.04Å; C24-C40 PolarHBondContact SG-SG 2.85Å; C24-C51 HydrophobicContact CB-CB 4.48Å; C24-C51 VanDerWaalsContact SG-CB 3.5Å; C24-C51 VanDerWaalsContact SG-SG 3.63Å; C24-D53 VanDerWaalsContact N-CG 3.27Å; C24-D53 PolarHBondContact N-OD1 2.53Å; C24-D53 PolarHBondContact N-OD2 2.8Å
25	A	88.7	Confident	73.7	Confident	60 Å²	60	104 Å²	104	50%	0.496	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.5	119.7	170.8	0	0	0	0	0	111	S23 R27 L57	S23-A25 WeakPolarHBondContact OG-CB 3.43Å; S23-A25 PolarHBondContact OG-N 3.41Å; S23-A25 VanDerWaalsContact OG-N 3.15Å; A25-R27 PolarHBondContact O-N 2.95Å; A25-L57 HydrophobicContact CB-CD1 4.32Å
26	S	83.1	Confident	75.8	Confident	137 Å²	137	97 Å²	97	96%	0.958	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	15.6	-174.8	-54.3	0	0	0	0	116.5	C24	C24-S26 PolarHBondContact O-N 3.39Å; C24-S26 VanDerWaalsContact O-N 3.11Å
27	R	88	Confident	77.9	Confident	19 Å²	19	95.3 Å²	95.3	7%	0.072	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-5.6	-179.7	-72.8	173.6	60.5	-152.7	4.2	115	M21 S23 C24 A25 N29 E30 C38 C40	M21-R27 PolarHBondContact O-NH1 3.11Å; S23-R27 WeakPolarHBondContact O-CD 3.49Å; S23-R27 PolarHBondContact O-NH1 2.79Å; C24-R27 PolarHBondContact O-N 2.82Å; A25-R27 PolarHBondContact O-N 2.95Å; R27-N29 PolarHBondContact O-N 3.48Å; R27-E30 WeakPolarHBondContact CG-OE2 3.14Å; R27-E30 IonicContact CZ-OE1 3.35Å; R27-E30 IonicContact CZ-OE2 3.66Å; R27-E30 IonicContact NE-OE1 3.32Å; R27-E30 PolarHBondContact NE-OE1 2.91Å; R27-E30 IonicContact NE-OE2 2.84Å; R27-E30 PolarHBondContact NE-OE2 3.31Å; R27-E30 IonicContact NH2-OE1 2.67Å; R27-E30 PolarHBondContact NH2-OE1 3.44Å; R27-E30 IonicContact NH2-OE2 3.13Å; R27-E30 VanDerWaalsContact O-CB 3.32Å; R27-E30 WeakPolarHBondContact O-CB 3.39Å; R27-E30 WeakPolarHBondContact O-CG 3.03Å; R27-E30 PolarHBondContact O-N 3.14Å; R27-C38 PolarHBondContact NH2-O 3.32Å; R27-C40 HydrophobicContact CB-CB 3.78Å; R27-C40 WeakPolarHBondContact O-CB 3.03Å
28	C	90.5	Very high	80.3	Confident	41 Å²	41	83.7 Å²	83.7	28%	0.277	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	126.7	178.1	-61.2	0	0	0	0	112.4	L57 C58	C28-L57 PolarHBondContact SG-O 3.26Å; C28-L57 VanDerWaalsContact SG-O 3.36Å; C28-C58 WeakPolarHBondContact CA-SG 3.47Å; C28-C58 HydrophobicContact CB-CB 3.71Å; C28-C58 WeakPolarHBondContact CB-SG 3.19Å; C28-C58 WeakPolarHBondContact SG-CA 3.35Å; C28-C58 WeakPolarHBondContact SG-CB 3.02Å; C28-C58 CovalentContact SG-SG 2.04Å; C28-C58 PolarHBondContact SG-SG 3.26Å
29	N	85.9	Confident	82.7	Confident	85 Å²	85	79.3 Å²	79.3	46%	0.455	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	20	-176.9	-40.8	-95.1	0	0	0	115.6	R27 C40 R42	R27-N29 PolarHBondContact O-N 3.48Å; N29-C40 PolarHBondContact N-O 3.25Å; N29-R42 WeakPolarHBondContact OD1-CG 3.02Å; N29-R42 PolarHBondContact OD1-NE 3.35Å; N29-R42 PolarHBondContact OD1-NH2 2.04Å; N29-R42 VanDerWaalsContact OD1-NH2 3.11Å
30	E	89.4	Confident	84.8	Confident	52 Å²	52	76.6 Å²	76.6	24%	0.243	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-60.9	170.6	169.4	70.3	-178.2	-174.9	0	0	112.9	R27 C40 D41	R27-E30 WeakPolarHBondContact CG-OE2 3.14Å; R27-E30 IonicContact CZ-OE1 3.35Å; R27-E30 IonicContact CZ-OE2 3.66Å; R27-E30 IonicContact NE-OE1 3.32Å; R27-E30 PolarHBondContact NE-OE1 2.91Å; R27-E30 IonicContact NE-OE2 2.84Å; R27-E30 PolarHBondContact NE-OE2 3.31Å; R27-E30 IonicContact NH2-OE1 2.67Å; R27-E30 PolarHBondContact NH2-OE1 3.44Å; R27-E30 IonicContact NH2-OE2 3.13Å; R27-E30 VanDerWaalsContact O-CB 3.32Å; R27-E30 WeakPolarHBondContact O-CB 3.39Å; R27-E30 WeakPolarHBondContact O-CG 3.03Å; R27-E30 PolarHBondContact O-N 3.14Å; E30-C40 HydrophobicContact CG-CB 3.98Å; E30-C40 PolarHBondContact OE1-N 2.03Å; E30-D41 WeakPolarHBondContact O-CA 3.28Å; E30-D41 WeakPolarHBondContact O-CB 3.46Å
31	K	88.8	Confident	86.5	Confident	194 Å²	194	70.1 Å²	70.1	84%	0.843	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-82.5	142.1	168.2	-69.1	-179.5	178.7	178.9	0	109.6	N33	K31-N33 PolarHBondContact O-N 3.05Å
32	F	88.2	Confident	87.8	Confident	119 Å²	119	74.2 Å²	74.2	52%	0.522	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-46	125.1	174.8	173.5	-95.1	0	0	0	112.1	R34 Q39	F32-R34 HydrophobicContact CE1-CB 3.91Å; F32-R34 HydrophobicContact CZ-CB 4.27Å; F32-Q39 HydrophobicContact CD2-CG 3.84Å; F32-Q39 HydrophobicContact CE2-CG 3.95Å
33	N	83.8	Confident	88.1	Confident	68 Å²	68	77 Å²	77	36%	0.364	39%	0.389	S	S	.	.			trans	-121.4	104	179.2	180	0.1	0	0	0	109.5	K31 D35 A36 Q39	K31-N33 PolarHBondContact O-N 3.05Å; N33-D35 PolarHBondContact O-N 3.21Å; N33-D35 VanDerWaalsContact O-N 3.08Å; N33-D35 PolarHBondContact OD1-N 2.04Å; N33-A36 HydrophobicContact CB-CB 4.04Å; N33-A36 WeakPolarHBondContact O-CB 3.24Å; N33-A36 PolarHBondContact O-N 2.93Å; N33-A36 VanDerWaalsContact O-N 3.09Å; N33-Q39 PolarHBondContact O-NE2 2.9Å; N33-Q39 PolarHBondContact O-OE1 2.9Å
34	R	84.9	Confident	88.2	Confident	189 Å²	189	74.8 Å²	74.8	71%	0.713	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-28.6	-179.9	-170.7	-162.3	63.5	-152.1	-13.3	113.4	F32	F32-R34 HydrophobicContact CE1-CB 3.91Å; F32-R34 HydrophobicContact CZ-CB 4.27Å
35	D	81.5	Confident	88	Confident	120 Å²	120	79.1 Å²	79.1	64%	0.642	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	3.5	-172.7	-53	-24	0	0	0	111.9	N33	N33-D35 PolarHBondContact O-N 3.21Å; N33-D35 VanDerWaalsContact O-N 3.08Å; N33-D35 PolarHBondContact OD1-N 2.04Å
36	A	82.8	Confident	88	Confident	18 Å²	18	86.7 Å²	86.7	15%	0.149	41%	0.412	C	S	.	.	S	Bend	trans	-86.5	147.2	169.4	0	0	0	0	0	111.9	N33 C38	N33-A36 HydrophobicContact CB-CB 4.04Å; N33-A36 WeakPolarHBondContact O-CB 3.24Å; N33-A36 PolarHBondContact O-N 2.93Å; N33-A36 VanDerWaalsContact O-N 3.09Å; A36-C38 VanDerWaalsContact C-N 3.28Å; A36-C38 PolarHBondContact O-N 2.84Å
37	A	86.4	Confident	88.2	Confident	60 Å²	60	86.1 Å²	86.1	50%	0.496	39%	0.394	S	S	.	.	S	Bend	trans	-66.3	-29.8	-178.3	0	0	0	0	0	113.4	K20 E22	K20-A37 HydrophobicContact CB-CB 4.38Å; K20-A37 HydrophobicContact CD-CB 4.47Å; E22-A37 HydrophobicContact CG-CB 3.78Å
38	C	92.2	Very high	88.3	Confident	16 Å²	16	88.9 Å²	88.9	11%	0.108	43%	0.428	C	S	.	.	S	Bend	trans	-153.4	157.9	176.9	56.4	0	0	0	0	109.3	M21 E22 R27 A36 C51	M21-C38 PolarHBondContact O-SG 3.34Å; E22-C38 VanDerWaalsContact CA-SG 3.56Å; R27-C38 PolarHBondContact NH2-O 3.32Å; A36-C38 VanDerWaalsContact C-N 3.28Å; A36-C38 PolarHBondContact O-N 2.84Å; C38-C51 VanDerWaalsContact C-SG 3.55Å; C38-C51 HydrophobicContact CB-CB 3.85Å; C38-C51 WeakPolarHBondContact CB-SG 3.43Å; C38-C51 WeakPolarHBondContact SG-CA 3.26Å; C38-C51 WeakPolarHBondContact SG-CB 3.12Å; C38-C51 CovalentContact SG-SG 2.03Å; C38-C51 PolarHBondContact SG-SG 2.04Å
39	Q	94.8	Very high	88.4	Confident	7 Å²	7	89.3 Å²	89.3	3%	0.033	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-102.6	152.9	-172.8	-53.4	-57	-57.1	0	0	112.1	F32 N33 C44 N49 C50 C51	F32-Q39 HydrophobicContact CD2-CG 3.84Å; F32-Q39 HydrophobicContact CE2-CG 3.95Å; N33-Q39 PolarHBondContact O-NE2 2.9Å; N33-Q39 PolarHBondContact O-OE1 2.9Å; Q39-C44 HydrophobicContact CB-CB 3.78Å; Q39-N49 HydrophobicContact CG-CB 4.49Å; Q39-N49 WeakPolarHBondContact CG-ND2 3.47Å; Q39-N49 PolarHBondContact N-O 3.01Å; Q39-C50 CarbonylContact O-C 3.58Å; Q39-C50 VanDerWaalsContact O-CA 3.29Å; Q39-C50 WeakPolarHBondContact O-CA 2.91Å; Q39-C51 PolarHBondContact O-N 2.97Å; Q39-C51 VanDerWaalsContact O-N 3.13Å
40	C	92.8	Very high	88.8	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	42%	0.417	C	S	.	.			trans	-125.4	18.1	173.2	-54.3	0	0	0	0	113	C24 R27 N29 E30 C51	C24-C40 WeakPolarHBondContact CA-SG 3.44Å; C24-C40 HydrophobicContact CB-CB 3.88Å; C24-C40 WeakPolarHBondContact CB-SG 3.25Å; C24-C40 VanDerWaalsContact SG-CA 3.57Å; C24-C40 WeakPolarHBondContact SG-CB 3.49Å; C24-C40 CovalentContact SG-SG 2.04Å; C24-C40 PolarHBondContact SG-SG 2.85Å; R27-C40 HydrophobicContact CB-CB 3.78Å; R27-C40 WeakPolarHBondContact O-CB 3.03Å; N29-C40 PolarHBondContact N-O 3.25Å; E30-C40 HydrophobicContact CG-CB 3.98Å; E30-C40 PolarHBondContact OE1-N 2.03Å; C40-C51 VanDerWaalsContact SG-SG 3.63Å
41	D	91.3	Very high	89	Confident	16 Å²	16	84.6 Å²	84.6	9%	0.086	41%	0.407	C	S	.	.	S	Bend	trans	-82.1	154.6	176.2	92.3	89	0	0	0	111.8	E30 R43 C44	E30-D41 WeakPolarHBondContact O-CA 3.28Å; E30-D41 WeakPolarHBondContact O-CB 3.46Å; D41-R43 PolarHBondContact O-N 2.82Å; D41-R43 WeakPolarHBondContact OD1-CA 3.1Å; D41-R43 WeakPolarHBondContact OD1-CB 3.21Å; D41-R43 PolarHBondContact OD1-N 3.36Å; D41-C44 WeakPolarHBondContact O-CB 3.5Å; D41-C44 PolarHBondContact O-N 3.13Å; D41-C44 PolarHBondContact O-SG 2.69Å; D41-C44 VanDerWaalsContact O-SG 3.35Å
42	R	87.9	Confident	89.3	Confident	193 Å²	193	85 Å²	85	73%	0.728	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-11.8	-176.5	-68.5	-174.3	178.2	175.4	0.8	115.3	N29	N29-R42 WeakPolarHBondContact OD1-CG 3.02Å; N29-R42 PolarHBondContact OD1-NE 3.35Å; N29-R42 PolarHBondContact OD1-NH2 2.04Å; N29-R42 VanDerWaalsContact OD1-NH2 3.11Å
43	R	89.3	Confident	89.5	Confident	176 Å²	176	81.1 Å²	81.1	66%	0.664	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-5	179	-51.6	178.4	177.1	179.9	0	112.6	D41 L45 R46 H47	D41-R43 PolarHBondContact O-N 2.82Å; D41-R43 WeakPolarHBondContact OD1-CA 3.1Å; D41-R43 WeakPolarHBondContact OD1-CB 3.21Å; D41-R43 PolarHBondContact OD1-N 3.36Å; R43-L45 PolarHBondContact O-N 2.72Å; R43-R46 WeakPolarHBondContact O-CA 3.39Å; R43-R46 WeakPolarHBondContact O-CB 3.32Å; R43-R46 PolarHBondContact O-N 3.09Å; R43-H47 PolarHBondContact O-CD2 3.29Å; R43-H47 VanDerWaalsContact O-CD2 3.26Å; R43-H47 PolarHBondContact O-N 3.17Å
44	C	90.9	Very high	89.8	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-58.1	-36.1	-176.5	74.4	0	0	0	0	112.6	Q39 D41 R46 H47 G48 N49 C50	Q39-C44 HydrophobicContact CB-CB 3.78Å; D41-C44 WeakPolarHBondContact O-CB 3.5Å; D41-C44 PolarHBondContact O-N 3.13Å; D41-C44 PolarHBondContact O-SG 2.69Å; D41-C44 VanDerWaalsContact O-SG 3.35Å; C44-R46 VanDerWaalsContact C-N 3.26Å; C44-R46 PolarHBondContact O-N 3.4Å; C44-H47 CarbonylContact O-C 3.46Å; C44-H47 PolarHBondContact O-N 3.11Å; C44-G48 PolarHBondContact O-N 3.2Å; C44-N49 VanDerWaalsContact CA-OD1 3.26Å; C44-N49 WeakPolarHBondContact CA-OD1 3.07Å; C44-N49 WeakPolarHBondContact CB-OD1 3.09Å; C44-N49 PolarHBondContact O-N 3.06Å; C44-N49 PolarHBondContact O-OD1 2.81Å; C44-C50 HydrophobicContact CB-CB 3.93Å; C44-C50 WeakPolarHBondContact CB-SG 3.07Å; C44-C50 VanDerWaalsContact SG-CA 3.52Å; C44-C50 WeakPolarHBondContact SG-CB 3.48Å; C44-C50 CovalentContact SG-SG 2.04Å; C44-C50 PolarHBondContact SG-SG 2.84Å
45	L	87.4	Confident	90	Very high	92 Å²	92	75.2 Å²	75.2	48%	0.482	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-33.6	175.5	-69.2	174.6	0	0	0	112.4	R43 H47 C50 Y54 E55	R43-L45 PolarHBondContact O-N 2.72Å; L45-H47 VanDerWaalsContact C-N 3.33Å; L45-C50 PolarHBondContact N-SG 3.38Å; L45-Y54 HydrophobicContact CD1-CE1 3.84Å; L45-Y54 HydrophobicContact CD2-CD1 4.17Å; L45-Y54 HydrophobicContact CD2-CE1 4.25Å; L45-Y54 HydrophobicContact CG-CD1 4.22Å; L45-Y54 HydrophobicContact CG-CE1 3.81Å; L45-E55 HydrophobicContact CD2-CG 4.33Å
46	R	88.7	Confident	90.1	Very high	219 Å²	219	77.2 Å²	77.2	83%	0.826	38%	0.38	S	S	*	.	H	α-helix	trans	-75.5	-22.8	175.9	-173.8	178.7	178.9	-178.9	0.5	112.5	R43 C44	R43-R46 WeakPolarHBondContact O-CA 3.39Å; R43-R46 WeakPolarHBondContact O-CB 3.32Å; R43-R46 PolarHBondContact O-N 3.09Å; C44-R46 VanDerWaalsContact C-N 3.26Å; C44-R46 PolarHBondContact O-N 3.4Å
47	H	87.7	Confident	90.2	Very high	124 Å²	124	80.6 Å²	80.6	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-106	-2.1	-176.6	-68.2	-65.9	0	0	0	113.8	R43 C44 L45 N49	R43-H47 PolarHBondContact O-CD2 3.29Å; R43-H47 VanDerWaalsContact O-CD2 3.26Å; R43-H47 PolarHBondContact O-N 3.17Å; C44-H47 CarbonylContact O-C 3.46Å; C44-H47 PolarHBondContact O-N 3.11Å; L45-H47 VanDerWaalsContact C-N 3.33Å; H47-N49 VanDerWaalsContact C-N 3.28Å; H47-N49 WeakPolarHBondContact CB-OD1 3.29Å; H47-N49 PolarHBondContact O-N 3.08Å
48	G	89.2	Confident	90.2	Very high	77 Å²	77	79.1 Å²	79.1	79%	0.794	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	27.7	177.5	0	0	0	0	0	113.9	C44	C44-G48 PolarHBondContact O-N 3.2Å
49	N	93.2	Very high	89.5	Confident	50 Å²	50	81.6 Å²	81.6	27%	0.267	40%	0.395	S	S	.	.			trans	-132.7	23.1	-169.5	68.4	-8.9	0	0	0	114.1	Q39 C44 H47	Q39-N49 HydrophobicContact CG-CB 4.49Å; Q39-N49 WeakPolarHBondContact CG-ND2 3.47Å; Q39-N49 PolarHBondContact N-O 3.01Å; C44-N49 VanDerWaalsContact CA-OD1 3.26Å; C44-N49 WeakPolarHBondContact CA-OD1 3.07Å; C44-N49 WeakPolarHBondContact CB-OD1 3.09Å; C44-N49 PolarHBondContact O-N 3.06Å; C44-N49 PolarHBondContact O-OD1 2.81Å; H47-N49 VanDerWaalsContact C-N 3.28Å; H47-N49 WeakPolarHBondContact CB-OD1 3.29Å; H47-N49 PolarHBondContact O-N 3.08Å
50	C	94.1	Very high	88	Confident	33 Å²	33	89.7 Å²	89.7	22%	0.223	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-63.6	161	170.7	-58.5	0	0	0	0	112.1	Q39 C44 L45 Y54	Q39-C50 CarbonylContact O-C 3.58Å; Q39-C50 VanDerWaalsContact O-CA 3.29Å; Q39-C50 WeakPolarHBondContact O-CA 2.91Å; C44-C50 HydrophobicContact CB-CB 3.93Å; C44-C50 WeakPolarHBondContact CB-SG 3.07Å; C44-C50 VanDerWaalsContact SG-CA 3.52Å; C44-C50 WeakPolarHBondContact SG-CB 3.48Å; C44-C50 CovalentContact SG-SG 2.04Å; C44-C50 PolarHBondContact SG-SG 2.84Å; L45-C50 PolarHBondContact N-SG 3.38Å; C50-Y54 HydrophobicContact CB-CD1 4.33Å; C50-Y54 HydrophobicContact CB-CG 3.97Å
51	C	94.2	Very high	86	Confident	6 Å²	6	96.1 Å²	96.1	4%	0.041	47%	0.467	C	S	.	.			trans	-72.2	155.9	160.6	-52.8	0	0	0	0	110.7	C24 C38 Q39 C40 D53 Y54	C24-C51 HydrophobicContact CB-CB 4.48Å; C24-C51 VanDerWaalsContact SG-CB 3.5Å; C24-C51 VanDerWaalsContact SG-SG 3.63Å; C38-C51 VanDerWaalsContact C-SG 3.55Å; C38-C51 HydrophobicContact CB-CB 3.85Å; C38-C51 WeakPolarHBondContact CB-SG 3.43Å; C38-C51 WeakPolarHBondContact SG-CA 3.26Å; C38-C51 WeakPolarHBondContact SG-CB 3.12Å; C38-C51 CovalentContact SG-SG 2.03Å; C38-C51 PolarHBondContact SG-SG 2.04Å; Q39-C51 PolarHBondContact O-N 2.97Å; Q39-C51 VanDerWaalsContact O-N 3.13Å; C40-C51 VanDerWaalsContact SG-SG 3.63Å; C51-D53 VanDerWaalsContact CB-OD1 3.28Å; C51-D53 WeakPolarHBondContact CB-OD1 3.5Å; C51-D53 PolarHBondContact O-N 2.91Å; C51-Y54 VanDerWaalsContact O-CB 3.24Å; C51-Y54 WeakPolarHBondContact O-CB 3.49Å; C51-Y54 PolarHBondContact O-N 3.01Å
52	E	94.3	Very high	83.7	Confident	202 Å²	202	101.8 Å²	101.8	94%	0.944	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.3	-175.1	-172.6	172.9	-172	0	0	113.1
53	D	91.9	Very high	81.5	Confident	37 Å²	37	101.2 Å²	101.2	20%	0.198	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2.5	178.7	62.4	-12.5	0	0	0	114.3	S23 C24 C51 E55 H56 L57	S23-D53 WeakPolarHBondContact CA-OD1 3.24Å; S23-D53 WeakPolarHBondContact CA-OD2 3.46Å; S23-D53 VanDerWaalsContact CB-OD2 3.23Å; S23-D53 WeakPolarHBondContact CB-OD2 3.23Å; S23-D53 PolarHBondContact OG-OD2 2.98Å; C24-D53 VanDerWaalsContact N-CG 3.27Å; C24-D53 PolarHBondContact N-OD1 2.53Å; C24-D53 PolarHBondContact N-OD2 2.8Å; C51-D53 VanDerWaalsContact CB-OD1 3.28Å; C51-D53 WeakPolarHBondContact CB-OD1 3.5Å; C51-D53 PolarHBondContact O-N 2.91Å; D53-E55 PolarHBondContact O-N 2.79Å; D53-H56 PolarHBondContact O-N 3.27Å; D53-L57 HydrophobicContact CB-CD1 3.92Å; D53-L57 HydrophobicContact CB-CG 4.2Å; D53-L57 WeakPolarHBondContact O-CB 3.26Å; D53-L57 WeakPolarHBondContact O-CG 3.46Å; D53-L57 PolarHBondContact O-N 2.88Å; D53-L57 VanDerWaalsContact OD2-CD1 3.25Å; D53-L57 WeakPolarHBondContact OD2-CD1 3.34Å
54	Y	90.1	Very high	79	Confident	10 Å²	10	101.9 Å²	101.9	4%	0.039	51%	0.507	C	S	.	.	H	α-helix	trans	-59.3	-45.3	-175.7	176.8	-89.8	0	0	0	112.9	L45 C50 C51 C58 T59	L45-Y54 HydrophobicContact CD1-CE1 3.84Å; L45-Y54 HydrophobicContact CD2-CD1 4.17Å; L45-Y54 HydrophobicContact CD2-CE1 4.25Å; L45-Y54 HydrophobicContact CG-CD1 4.22Å; L45-Y54 HydrophobicContact CG-CE1 3.81Å; C50-Y54 HydrophobicContact CB-CD1 4.33Å; C50-Y54 HydrophobicContact CB-CG 3.97Å; C51-Y54 VanDerWaalsContact O-CB 3.24Å; C51-Y54 WeakPolarHBondContact O-CB 3.49Å; C51-Y54 PolarHBondContact O-N 3.01Å; Y54-C58 HydrophobicContact CD2-CB 3.86Å; Y54-C58 HydrophobicContact CE1-CB 4.46Å; Y54-C58 HydrophobicContact CE2-CB 3.73Å; Y54-C58 HydrophobicContact CG-CB 4.3Å; Y54-C58 WeakPolarHBondContact O-CA 3.39Å; Y54-C58 WeakPolarHBondContact O-CB 3.49Å; Y54-C58 PolarHBondContact O-N 3.26Å; Y54-T59 HydrophobicContact CE1-CG2 3.82Å
55	E	88.9	Confident	76.2	Confident	124 Å²	124	107.2 Å²	107.2	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-67.3	-42.8	-177.6	-64.7	-172.6	160.9	0	0	111.1	L45 D53 L57 T59	L45-E55 HydrophobicContact CD2-CG 4.33Å; D53-E55 PolarHBondContact O-N 2.79Å; E55-L57 PolarHBondContact O-N 3.19Å; E55-T59 VanDerWaalsContact CA-OG1 3.26Å; E55-T59 WeakPolarHBondContact CA-OG1 3.48Å; E55-T59 CarbonylContact O-C 3.51Å; E55-T59 PolarHBondContact O-N 3.31Å; E55-T59 VanDerWaalsContact O-N 3.14Å; E55-T59 PolarHBondContact O-OG1 2.91Å
56	H	84.5	Confident	73.6	Confident	162 Å²	162	111.4 Å²	111.4	75%	0.75	56%	0.561	S	S	*	*	H	α-helix	trans	-70.3	-29.9	179.8	-169.6	-48.1	0	0	0	113.5	D53	D53-H56 PolarHBondContact O-N 3.27Å
57	L	85.3	Confident	71.4	Confident	89 Å²	89	106 Å²	106	47%	0.466	55%	0.554	S	S	.	*	H	α-helix	trans	-102.3	-24.1	-176.9	-62.1	-176.5	0	0	0	114.3	A25 C28 D53 E55	A25-L57 HydrophobicContact CB-CD1 4.32Å; C28-L57 PolarHBondContact SG-O 3.26Å; C28-L57 VanDerWaalsContact SG-O 3.36Å; D53-L57 HydrophobicContact CB-CD1 3.92Å; D53-L57 HydrophobicContact CB-CG 4.2Å; D53-L57 WeakPolarHBondContact O-CB 3.26Å; D53-L57 WeakPolarHBondContact O-CG 3.46Å; D53-L57 PolarHBondContact O-N 2.88Å; D53-L57 VanDerWaalsContact OD2-CD1 3.25Å; D53-L57 WeakPolarHBondContact OD2-CD1 3.34Å; E55-L57 PolarHBondContact O-N 3.19Å
58	C	85.1	Confident	68.8	Low	29 Å²	29	106.7 Å²	106.7	20%	0.196	56%	0.561	C	S	.	*	H	α-helix	trans	-119.8	-6.8	-171.7	-47.1	0	0	0	0	114.2	C28 Y54	C28-C58 WeakPolarHBondContact CA-SG 3.47Å; C28-C58 HydrophobicContact CB-CB 3.71Å; C28-C58 WeakPolarHBondContact CB-SG 3.19Å; C28-C58 WeakPolarHBondContact SG-CA 3.35Å; C28-C58 WeakPolarHBondContact SG-CB 3.02Å; C28-C58 CovalentContact SG-SG 2.04Å; C28-C58 PolarHBondContact SG-SG 3.26Å; Y54-C58 HydrophobicContact CD2-CB 3.86Å; Y54-C58 HydrophobicContact CE1-CB 4.46Å; Y54-C58 HydrophobicContact CE2-CB 3.73Å; Y54-C58 HydrophobicContact CG-CB 4.3Å; Y54-C58 WeakPolarHBondContact O-CA 3.39Å; Y54-C58 WeakPolarHBondContact O-CB 3.49Å; Y54-C58 PolarHBondContact O-N 3.26Å
59	T	77.6	Confident	66.1	Low	67 Å²	67	109.2 Å²	109.2	41%	0.411	56%	0.564	S	S	.	*			trans	-139.1	72.5	179.2	64.2	0	0	0	0	114.1	Y54 E55	Y54-T59 HydrophobicContact CE1-CG2 3.82Å; E55-T59 VanDerWaalsContact CA-OG1 3.26Å; E55-T59 WeakPolarHBondContact CA-OG1 3.48Å; E55-T59 CarbonylContact O-C 3.51Å; E55-T59 PolarHBondContact O-N 3.31Å; E55-T59 VanDerWaalsContact O-N 3.14Å; E55-T59 PolarHBondContact O-OG1 2.91Å
60	E	64.4	Low	63.2	Low	177 Å²	177	114.6 Å²	114.6	83%	0.827	59%	0.588	S	S	*	*			trans	-132.2	147.9	155.2	-81.1	-149.4	145.7	0	0	112.4
61	D	49.7	Very low	61.4	Low	135 Å²	135	118.2 Å²	118.2	72%	0.722	61%	0.61	S	S	*	*			trans	-142.7	135.7	169.6	-163.9	-21.9	0	0	0	106.2
62	H	42.8	Very low	58.3	Low	136 Å²	136	127.2 Å²	127.2	63%	0.63	65%	0.652	S	S	*	*			trans	78	151.9	-173.8	-45.8	-2.1	0	0	0	115.9
63	K	42.6	Very low	55.4	Low	180 Å²	180	126.4 Å²	126.4	78%	0.783	65%	0.648	S	S	*	*			cis	179.9	161.1	-23.7	-107.2	170.3	-178.8	174.4	0	107.3
64	E	36	Very low	52.5	Low	191 Å²	191	133.2 Å²	133.2	89%	0.893	68%	0.679	S	S	*	*				-173.4	178.1	127.7	-116.8	-170.4	172.3	0	0	117.6
65	S	31.8	Very low	49.6	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	71%	0.71	S	S	*	*			trans	87.1	132.6	-174.5	72.1	0	0	0	0	116.1
66	E	34.3	Very low	46.7	Very low	180 Å²	180	140.3 Å²	140.3	84%	0.841	72%	0.72	S	S	*	*			cis	-143.2	-125.9	-17.9	-157.5	-164.3	113.3	0	0	112.8
67	P	41.1	Very low	44.2	Very low	105 Å²	105	141.6 Å²	141.6	68%	0.682	73%	0.726	S	S	*	*			trans	-112.3	-169	-149.6	45.5	-32.6	0	0	0	117.5
68	L	33.9	Very low	42	Very low	139 Å²	139	141.8 Å²	141.8	73%	0.728	74%	0.741	S	S	*	*			trans	-89.6	164.9	-169.8	-92.9	78.7	0	0	0	116.2	Q70	L68-Q70 HydrophobicContact CD2-CG 4.06Å
69	P	33	Very low	39.6	Very low	130 Å²	130	148.5 Å²	148.5	84%	0.844	77%	0.774	S	S	*	*				-133.3	177	95.8	35.9	-23.4	0	0	0	115.9
70	Q	31	Very low	37.4	Very low	164 Å²	164	152.5 Å²	152.5	77%	0.766	80%	0.798	S	S	*	*			trans	-109.6	-171.2	-178.3	-57.4	176.4	-27.3	0	0	111	L68	L68-Q70 HydrophobicContact CD2-CG 4.06Å
71	P	56.8	Low	36.3	Very low	108 Å²	108	148.8 Å²	148.8	70%	0.701	79%	0.792	S	S	*	*				-122.1	-175.3	-51.7	36.7	-22.1	0	0	0	111.4
72	E	29.6	Very low	35.8	Very low	196 Å²	196	149.7 Å²	149.7	92%	0.916	80%	0.797	S	S	*	*			trans	-176.6	172.5	139.6	-103.3	157.6	-149.9	0	0	112.1
73	E	32.9	Very low	35.6	Very low	184 Å²	184	151.2 Å²	151.2	86%	0.86	81%	0.808	S	S	*	*			trans	-110.4	169.2	-169.4	-61.8	179.1	107.6	0	0	113.6
74	E	31.6	Very low	35.5	Very low	181 Å²	181	153.6 Å²	153.6	85%	0.846	81%	0.814	S	S	*	*			trans	67.3	154.1	167.8	-62.9	-172.4	174.6	0	0	116.8
75	T	27.9	Very low	36.1	Very low	112 Å²	112	148.4 Å²	148.4	69%	0.687	80%	0.799	S	S	*	*			cis	-151.1	168.1	-6.8	3.2	0	0	0	0	111.6
76	E	29	Very low	37.1	Very low	171 Å²	171	145.4 Å²	145.4	80%	0.799	78%	0.781	S	S	*	*			trans	50.7	102.5	152.2	-66.8	-175.7	166.3	0	0	122.6
77	E	31.7	Very low	38.6	Very low	189 Å²	189	140.2 Å²	140.2	88%	0.883	76%	0.763	S	S	*	*				62.8	157.2	123.6	-62.4	-149.8	137.9	0	0	124.7
78	A	38.6	Very low	40.5	Very low	92 Å²	92	139.1 Å²	139.1	76%	0.76	76%	0.755	S	S	*	*			trans	65.3	74.8	157.8	0	0	0	0	0	119.6
79	L	34.4	Very low	43	Very low	171 Å²	171	133.7 Å²	133.7	90%	0.895	73%	0.728	S	S	*	*	S	Bend	trans	-163.3	22.7	137.2	-111.2	165.3	0	0	0	118
80	T	32	Very low	45.6	Very low	150 Å²	150	127.5 Å²	127.5	92%	0.92	69%	0.688	S	S	*	*			trans	-127	78.1	177.6	53.5	0	0	0	0	113.4
81	S	40.7	Very low	48	Very low	100 Å²	100	125.7 Å²	125.7	70%	0.699	68%	0.679	S	S	*	*			trans	-130.4	149.8	169.4	-171.7	0	0	0	0	110.7
82	N	40	Very low	48.8	Very low	153 Å²	153	124.3 Å²	124.3	82%	0.818	69%	0.685	S	S	*	*	S	Bend	trans	83.3	22.4	173.9	-49.6	-46.6	0	0	0	120.2
83	L	38.1	Very low	51.2	Low	168 Å²	168	116.3 Å²	116.3	88%	0.88	65%	0.646	S	S	*	*	S	Bend	trans	-130.2	9.6	170.3	-84.5	177.9	0	0	0	117.1
84	Y	42	Very low	53.6	Low	231 Å²	231	109.3 Å²	109.3	91%	0.906	62%	0.618	S	S	*	*			trans	-127.7	98.8	164.5	-86.8	-87.2	0	0	0	110
85	S	48.1	Very low	55.9	Low	81 Å²	81	103.8 Å²	103.8	57%	0.566	59%	0.589	S	S	*	*			trans	-58.6	137	165.4	-61.1	0	0	0	0	109.3
86	A	52.3	Low	58.3	Low	49 Å²	49	100 Å²	100	41%	0.405	56%	0.564	S	S	.	*			trans	-60.7	132.4	-168.7	0	0	0	0	0	111.9	T88 S89 R93	A86-T88 PolarHBondContact O-N 2.95Å; A86-S89 PolarHBondContact O-N 3.04Å; A86-S89 VanDerWaalsContact O-N 3.09Å; A86-R93 PolarHBondContact O-NH1 2.79Å
87	P	65.4	Low	60.6	Low	71 Å²	71	96 Å²	96	46%	0.461	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.5	-6.8	-178.8	27.5	-35.6	0	0	0	113.4	R93 C104	P87-R93 PolarHBondContact O-NH1 2.95Å; P87-C104 PolarHBondContact O-SG 2.7Å
88	T	82.4	Confident	63	Low	82 Å²	82	93.1 Å²	93.1	50%	0.503	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	6.3	-179.9	56.8	0	0	0	0	114.3	A86 C104	A86-T88 PolarHBondContact O-N 2.95Å; T88-C104 VanDerWaalsContact C-SG 3.59Å; T88-C104 VanDerWaalsContact CA-SG 3.52Å
89	S	85.4	Confident	64.9	Low	24 Å²	24	91.9 Å²	91.9	17%	0.168	53%	0.525	C	S	.	.			trans	-133.7	151.2	-172.8	174.1	0	0	0	0	112.8	A86 Q91 R93 D119	A86-S89 PolarHBondContact O-N 3.04Å; A86-S89 VanDerWaalsContact O-N 3.09Å; S89-Q91 PolarHBondContact OG-N 3.11Å; S89-Q91 VanDerWaalsContact OG-N 3.17Å; S89-R93 WeakPolarHBondContact O-CD 3.44Å; S89-R93 PolarHBondContact O-NH1 2.88Å; S89-D119 WeakPolarHBondContact CA-OD1 3.29Å; S89-D119 WeakPolarHBondContact CA-OD2 3.09Å; S89-D119 WeakPolarHBondContact CB-OD2 3.34Å; S89-D119 PolarHBondContact OG-OD2 3.15Å
90	C	86.8	Confident	67.1	Low	0 Å²	0	91.2 Å²	91.2	0%	0	52%	0.515	C	S	.	.			trans	-90.5	2.6	172.3	-67.3	0	0	0	0	116	G92 R93 C106 D119 L123 C124	C90-G92 PolarHBondContact O-N 3.24Å; C90-R93 PolarHBondContact O-N 3.21Å; C90-C106 WeakPolarHBondContact CA-SG 3.03Å; C90-C106 HydrophobicContact CB-CB 3.85Å; C90-C106 WeakPolarHBondContact CB-SG 3.22Å; C90-C106 WeakPolarHBondContact SG-CB 3.01Å; C90-C106 CovalentContact SG-SG 2.03Å; C90-C106 PolarHBondContact SG-SG 2.96Å; C90-D119 VanDerWaalsContact N-CG 3.29Å; C90-D119 PolarHBondContact N-OD1 3.09Å; C90-D119 PolarHBondContact N-OD2 3.33Å; C90-L123 HydrophobicContact CB-CB 4.41Å; C90-L123 HydrophobicContact CB-CD1 4.21Å; C90-C124 VanDerWaalsContact CB-SG 3.55Å
91	Q	83.1	Confident	69.4	Low	126 Å²	126	90.5 Å²	90.5	59%	0.589	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	109.8	177.6	-169.8	66.7	14.9	0	0	111	S89 R93 L123	S89-Q91 PolarHBondContact OG-N 3.11Å; S89-Q91 VanDerWaalsContact OG-N 3.17Å; Q91-R93 VanDerWaalsContact C-N 3.31Å; Q91-R93 PolarHBondContact O-N 3.07Å; Q91-L123 HydrophobicContact CB-CD1 4.37Å
92	G	72.9	Confident	71.4	Confident	80 Å²	80	89 Å²	89	83%	0.825	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	15.1	-175.1	0	0	0	0	0	115.4	C90	C90-G92 PolarHBondContact O-N 3.24Å
93	R	79.3	Confident	73.6	Confident	27 Å²	27	89.1 Å²	89.1	10%	0.102	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-2.3	-178.1	-73.6	176.4	56.4	-150	-3	114.8	A86 P87 S89 C90 Q91 Y95 E96 H102 C104 C106	A86-R93 PolarHBondContact O-NH1 2.79Å; P87-R93 PolarHBondContact O-NH1 2.95Å; S89-R93 WeakPolarHBondContact O-CD 3.44Å; S89-R93 PolarHBondContact O-NH1 2.88Å; C90-R93 PolarHBondContact O-N 3.21Å; Q91-R93 VanDerWaalsContact C-N 3.31Å; Q91-R93 PolarHBondContact O-N 3.07Å; R93-Y95 PolarHBondContact O-N 2.76Å; R93-E96 IonicContact CZ-OE1 2.74Å; R93-E96 IonicContact CZ-OE2 2.81Å; R93-E96 IonicContact NE-OE1 3.57Å; R93-E96 IonicContact NE-OE2 2.66Å; R93-E96 PolarHBondContact NE-OE2 3.17Å; R93-E96 VanDerWaalsContact NH2-CD 3.32Å; R93-E96 IonicContact NH2-OE1 3.51Å; R93-E96 PolarHBondContact NH2-OE1 3.44Å; R93-E96 IonicContact NH2-OE2 3.1Å; R93-E96 PolarHBondContact NH2-OE2 2.89Å; R93-E96 VanDerWaalsContact NH2-OE2 3.07Å; R93-E96 VanDerWaalsContact O-CB 3.27Å; R93-E96 WeakPolarHBondContact O-CB 3.21Å; R93-E96 WeakPolarHBondContact O-CG 3.35Å; R93-E96 PolarHBondContact O-N 3.09Å; R93-E96 VanDerWaalsContact O-N 3.07Å; R93-H102 PolarHBondContact NH2-ND1 2.76Å; R93-C104 PolarHBondContact NH2-O 2.88Å; R93-C106 HydrophobicContact CB-CB 4.06Å; R93-C106 WeakPolarHBondContact O-CB 3.2Å
94	C	83.9	Confident	76.1	Confident	38 Å²	38	81.9 Å²	81.9	26%	0.257	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	132.6	177.8	-62	0	0	0	0	111.9	E96 L123 C124	C94-E96 VanDerWaalsContact C-N 3.27Å; C94-E96 PolarHBondContact O-N 2.94Å; C94-L123 PolarHBondContact SG-O 3.26Å; C94-C124 WeakPolarHBondContact CA-SG 3.32Å; C94-C124 HydrophobicContact CB-CB 3.78Å; C94-C124 WeakPolarHBondContact CB-SG 3.44Å; C94-C124 WeakPolarHBondContact SG-CA 3.44Å; C94-C124 WeakPolarHBondContact SG-CB 3.47Å; C94-C124 CovalentContact SG-SG 2.04Å; C94-C124 PolarHBondContact SG-SG 3.21Å
95	Y	79.4	Confident	78.5	Confident	65 Å²	65	71.4 Å²	71.4	26%	0.255	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	23.7	-176.9	-52.4	-86.2	0	0	0	115.3	R93 C106 A108 C124 H127 E128	R93-Y95 PolarHBondContact O-N 2.76Å; Y95-C106 WeakPolarHBondContact CA-O 3.17Å; Y95-C106 PolarHBondContact N-O 3.17Å; Y95-A108 HydrophobicContact CD1-CB 3.92Å; Y95-A108 HydrophobicContact CE1-CB 3.95Å; Y95-C124 HydrophobicContact CE2-CB 4.41Å; Y95-C124 PolarHBondContact OH-O 3.45Å; Y95-H127 HydrophobicContact CE2-CB 3.43Å; Y95-H127 VanDerWaalsContact CE2-CB 3.43Å; Y95-H127 VanDerWaalsContact OH-CB 3.26Å; Y95-H127 WeakPolarHBondContact OH-CB 3.38Å; Y95-E128 PolarHBondContact OH-N 2.79Å
96	E	79.3	Confident	80.5	Confident	33 Å²	33	67.5 Å²	67.5	15%	0.154	37%	0.374	C	S	.	.			trans	-54.4	159.7	168.5	64.7	175.5	-169.2	0	0	113.3	R93 C94 H102 H105 C106 N107	R93-E96 IonicContact CZ-OE1 2.74Å; R93-E96 IonicContact CZ-OE2 2.81Å; R93-E96 IonicContact NE-OE1 3.57Å; R93-E96 IonicContact NE-OE2 2.66Å; R93-E96 PolarHBondContact NE-OE2 3.17Å; R93-E96 VanDerWaalsContact NH2-CD 3.32Å; R93-E96 IonicContact NH2-OE1 3.51Å; R93-E96 PolarHBondContact NH2-OE1 3.44Å; R93-E96 IonicContact NH2-OE2 3.1Å; R93-E96 PolarHBondContact NH2-OE2 2.89Å; R93-E96 VanDerWaalsContact NH2-OE2 3.07Å; R93-E96 VanDerWaalsContact O-CB 3.27Å; R93-E96 WeakPolarHBondContact O-CB 3.21Å; R93-E96 WeakPolarHBondContact O-CG 3.35Å; R93-E96 PolarHBondContact O-N 3.09Å; R93-E96 VanDerWaalsContact O-N 3.07Å; C94-E96 VanDerWaalsContact C-N 3.27Å; C94-E96 PolarHBondContact O-N 2.94Å; E96-H102 IonicContact OE1-ND1 3.65Å; E96-H102 IonicContact OE2-CE1 2.7Å; E96-H102 IonicContact OE2-ND1 3.45Å; E96-H105 VanDerWaalsContact OE1-CA 3.29Å; E96-H105 WeakPolarHBondContact OE1-CA 3.43Å; E96-C106 HydrophobicContact CG-CB 4.1Å; E96-C106 PolarHBondContact OE1-N 3.34Å; E96-N107 WeakPolarHBondContact O-CB 3.4Å
97	A	76.1	Confident	82	Confident	87 Å²	87	66.1 Å²	66.1	72%	0.719	36%	0.36	S	S	*	.			trans	-69.1	152.4	166.9	0	0	0	0	0	111.1	D99	A97-D99 PolarHBondContact O-N 3.4Å
98	F	82.3	Confident	82.7	Confident	128 Å²	128	65.1 Å²	65.1	56%	0.561	36%	0.357	S	S	*	.			trans	-71.2	113.2	175.1	173.9	-91.7	0	0	0	111.3	K100 H105	F98-K100 HydrophobicContact CE1-CB 4.06Å; F98-K100 HydrophobicContact CZ-CB 4.31Å; F98-H105 AromaticContact CD2-CE1 3.4Å; F98-H105 VanDerWaalsContact CD2-CE1 3.4Å; F98-H105 WeakPolarHBondContact CD2-CE1 3.36Å; F98-H105 AromaticContact CD2-ND1 3.6Å; F98-H105 AromaticContact CD2-NE2 3.94Å; F98-H105 AromaticContact CE2-CE1 3.21Å; F98-H105 WeakPolarHBondContact CE2-CE1 3.09Å; F98-H105 AromaticContact CE2-ND1 3.89Å; F98-H105 AromaticContact CE2-NE2 3.44Å; F98-H105 WeakPolarHBondContact CE2-NE2 3.27Å
99	D	78.5	Confident	82.8	Confident	65 Å²	65	67.2 Å²	67.2	35%	0.348	36%	0.356	S	S	.	.			trans	-110.3	118.8	164.7	-169.9	-19.3	0	0	0	111	A97 H101 H102 H105	A97-D99 PolarHBondContact O-N 3.4Å; D99-H101 PolarHBondContact O-N 3.49Å; D99-H101 IonicContact OD1-CE1 3.61Å; D99-H101 IonicContact OD1-CG 3.62Å; D99-H101 PolarHBondContact OD1-N 2.88Å; D99-H101 IonicContact OD1-ND1 3.68Å; D99-H101 PolarHBondContact OD1-ND1 2.99Å; D99-H101 IonicContact OD2-ND1 2.69Å; D99-H102 PolarHBondContact O-N 2.04Å; D99-H102 VanDerWaalsContact O-N 3.11Å; D99-H105 PolarHBondContact O-CE1 3.25Å
100	K	81.9	Confident	82.9	Confident	157 Å²	157	66.1 Å²	66.1	68%	0.683	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.1	177.8	67.5	172.5	-170.9	172.8	0	115.4	F98	F98-K100 HydrophobicContact CE1-CB 4.06Å; F98-K100 HydrophobicContact CZ-CB 4.31Å
101	H	80.3	Confident	82.9	Confident	136 Å²	136	71.1 Å²	71.1	63%	0.63	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.5	179.2	-48.5	101.7	0	0	0	113.2	D99	D99-H101 PolarHBondContact O-N 3.49Å; D99-H101 IonicContact OD1-CE1 3.61Å; D99-H101 IonicContact OD1-CG 3.62Å; D99-H101 PolarHBondContact OD1-N 2.88Å; D99-H101 IonicContact OD1-ND1 3.68Å; D99-H101 PolarHBondContact OD1-ND1 2.99Å; D99-H101 IonicContact OD2-ND1 2.69Å
102	H	82.8	Confident	83	Confident	67 Å²	67	71 Å²	71	31%	0.31	37%	0.371	S	S	.	.			trans	-73.8	140.1	175.1	-69.5	176.7	0	0	0	111.4	R93 E96 D99 C104	R93-H102 PolarHBondContact NH2-ND1 2.76Å; E96-H102 IonicContact OE1-ND1 3.65Å; E96-H102 IonicContact OE2-CE1 2.7Å; E96-H102 IonicContact OE2-ND1 3.45Å; D99-H102 PolarHBondContact O-N 2.04Å; D99-H102 VanDerWaalsContact O-N 3.11Å; H102-C104 VanDerWaalsContact C-N 3.3Å
103	Q	85.6	Confident	83.7	Confident	157 Å²	157	73.2 Å²	73.2	73%	0.734	36%	0.358	S	S	*	.	S	Bend	trans	-74.2	-24.1	178.1	-62.8	-178.9	30.6	0	0	112.6
104	C	91.4	Very high	84.2	Confident	15 Å²	15	75.4 Å²	75.4	10%	0.101	39%	0.389	C	S	.	.	S	Bend	trans	-153.3	155.4	170.7	63.3	0	0	0	0	109.2	P87 T88 R93 H102 N115 C117	P87-C104 PolarHBondContact O-SG 2.7Å; T88-C104 VanDerWaalsContact C-SG 3.59Å; T88-C104 VanDerWaalsContact CA-SG 3.52Å; R93-C104 PolarHBondContact NH2-O 2.88Å; H102-C104 VanDerWaalsContact C-N 3.3Å; C104-N115 WeakPolarHBondContact CA-O 3.03Å; C104-C117 HydrophobicContact CB-CB 3.88Å; C104-C117 WeakPolarHBondContact CB-SG 3.38Å; C104-C117 PolarHBondContact O-SG 3.4Å; C104-C117 VanDerWaalsContact O-SG 3.4Å; C104-C117 WeakPolarHBondContact SG-CA 3.09Å; C104-C117 WeakPolarHBondContact SG-CB 3.37Å; C104-C117 CovalentContact SG-SG 2.04Å; C104-C117 PolarHBondContact SG-SG 3.07Å
105	H	91.5	Very high	84.6	Confident	11 Å²	11	75.5 Å²	75.5	5%	0.051	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-117.2	164.3	-173.5	-48.9	-98	0	0	0	112.3	E96 F98 D99 N107 C110 N115 C116 C117	E96-H105 VanDerWaalsContact OE1-CA 3.29Å; E96-H105 WeakPolarHBondContact OE1-CA 3.43Å; F98-H105 AromaticContact CD2-CE1 3.4Å; F98-H105 VanDerWaalsContact CD2-CE1 3.4Å; F98-H105 WeakPolarHBondContact CD2-CE1 3.36Å; F98-H105 AromaticContact CD2-ND1 3.6Å; F98-H105 AromaticContact CD2-NE2 3.94Å; F98-H105 AromaticContact CE2-CE1 3.21Å; F98-H105 WeakPolarHBondContact CE2-CE1 3.09Å; F98-H105 AromaticContact CE2-ND1 3.89Å; F98-H105 AromaticContact CE2-NE2 3.44Å; F98-H105 WeakPolarHBondContact CE2-NE2 3.27Å; D99-H105 PolarHBondContact O-CE1 3.25Å; H105-N107 WeakPolarHBondContact CB-ND2 3.22Å; H105-C110 HydrophobicContact CB-CB 4.27Å; H105-N115 PolarHBondContact CD2-ND2 2.95Å; H105-N115 PolarHBondContact N-O 2.03Å; H105-N115 PolarHBondContact NE2-ND2 2.55Å; H105-C116 CarbonylContact O-C 3.53Å; H105-C116 VanDerWaalsContact O-CA 3.27Å; H105-C116 WeakPolarHBondContact O-CA 3.48Å; H105-C117 PolarHBondContact O-N 3.33Å
106	C	89.1	Confident	85.2	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.387	C	S	.	.			trans	-127.4	17.9	177.4	-56.3	0	0	0	0	112.7	C90 R93 Y95 E96 F120	C90-C106 WeakPolarHBondContact CA-SG 3.03Å; C90-C106 HydrophobicContact CB-CB 3.85Å; C90-C106 WeakPolarHBondContact CB-SG 3.22Å; C90-C106 WeakPolarHBondContact SG-CB 3.01Å; C90-C106 CovalentContact SG-SG 2.03Å; C90-C106 PolarHBondContact SG-SG 2.96Å; R93-C106 HydrophobicContact CB-CB 4.06Å; R93-C106 WeakPolarHBondContact O-CB 3.2Å; Y95-C106 WeakPolarHBondContact CA-O 3.17Å; Y95-C106 PolarHBondContact N-O 3.17Å; E96-C106 HydrophobicContact CG-CB 4.1Å; E96-C106 PolarHBondContact OE1-N 3.34Å; C106-F120 HydrophobicContact CB-CD2 4.34Å
107	N	83.7	Confident	85.9	Confident	20 Å²	20	72.8 Å²	72.8	11%	0.107	38%	0.381	C	S	.	.	S	Bend	trans	-77.2	155.2	176.2	76.6	80.1	0	0	0	111.7	E96 H105 R109 C110	E96-N107 WeakPolarHBondContact O-CB 3.4Å; H105-N107 WeakPolarHBondContact CB-ND2 3.22Å; N107-R109 PolarHBondContact O-N 2.98Å; N107-R109 WeakPolarHBondContact OD1-CA 3.33Å; N107-R109 PolarHBondContact OD1-N 3.35Å; N107-C110 WeakPolarHBondContact O-CB 3.21Å; N107-C110 PolarHBondContact O-N 2.98Å; N107-C110 PolarHBondContact O-SG 2.95Å; N107-C110 VanDerWaalsContact O-SG 3.35Å; N107-C110 PolarHBondContact OD1-N 3.35Å
108	A	81.5	Confident	86.7	Confident	49 Å²	49	78.8 Å²	78.8	41%	0.405	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-26.1	-176.3	0	0	0	0	0	115.4	Y95	Y95-A108 HydrophobicContact CD1-CB 3.92Å; Y95-A108 HydrophobicContact CE1-CB 3.95Å
109	R	83.7	Confident	87	Confident	127 Å²	127	74.1 Å²	74.1	48%	0.479	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	4.7	-176.7	-55.9	-172.4	65.7	-158.7	-5.2	113.3	N107 Q111 E112 F113	N107-R109 PolarHBondContact O-N 2.98Å; N107-R109 WeakPolarHBondContact OD1-CA 3.33Å; N107-R109 PolarHBondContact OD1-N 3.35Å; R109-Q111 PolarHBondContact O-N 3.19Å; R109-E112 WeakPolarHBondContact CB-OE1 3.44Å; R109-E112 VanDerWaalsContact CG-OE1 3.27Å; R109-E112 WeakPolarHBondContact CG-OE1 3.4Å; R109-E112 IonicContact CZ-OE1 3.63Å; R109-E112 IonicContact CZ-OE2 3.62Å; R109-E112 IonicContact NE-OE1 3.35Å; R109-E112 PolarHBondContact NE-OE1 3.08Å; R109-E112 IonicContact NE-OE2 3.07Å; R109-E112 PolarHBondContact NE-OE2 3.01Å; R109-E112 IonicContact NH2-OE1 2.64Å; R109-E112 IonicContact NH2-OE2 2.66Å; R109-E112 PolarHBondContact NH2-OE2 2.98Å; R109-E112 WeakPolarHBondContact O-CB 3.47Å; R109-E112 PolarHBondContact O-N 2.04Å; R109-F113 HydrophobicContact CB-CD2 4.2Å; R109-F113 HydrophobicContact CB-CE2 3.98Å; R109-F113 VanDerWaalsContact O-CD2 3.25Å; R109-F113 WeakPolarHBondContact O-CD2 3.27Å; R109-F113 PolarHBondContact O-N 2.99Å
110	C	88.3	Confident	87.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.2	-176.5	72.5	0	0	0	0	113	H105 N107 F113 G114 N115 C116 F120	H105-C110 HydrophobicContact CB-CB 4.27Å; N107-C110 WeakPolarHBondContact O-CB 3.21Å; N107-C110 PolarHBondContact O-N 2.98Å; N107-C110 PolarHBondContact O-SG 2.95Å; N107-C110 VanDerWaalsContact O-SG 3.35Å; N107-C110 PolarHBondContact OD1-N 3.35Å; C110-F113 PolarHBondContact O-N 2.74Å; C110-G114 PolarHBondContact O-N 3.35Å; C110-N115 VanDerWaalsContact CA-OD1 3.22Å; C110-N115 WeakPolarHBondContact CA-OD1 3.24Å; C110-N115 WeakPolarHBondContact CB-OD1 3.23Å; C110-N115 PolarHBondContact O-N 3.44Å; C110-N115 PolarHBondContact O-OD1 3.38Å; C110-C116 HydrophobicContact CB-CB 3.94Å; C110-C116 WeakPolarHBondContact CB-SG 3.27Å; C110-C116 WeakPolarHBondContact SG-CA 3.08Å; C110-C116 WeakPolarHBondContact SG-CB 3.46Å; C110-C116 CovalentContact SG-SG 2.04Å; C110-C116 PolarHBondContact SG-SG 3.17Å; C110-F120 VanDerWaalsContact SG-CD2 3.56Å; C110-F120 VanDerWaalsContact SG-CE2 3.56Å
111	Q	86.5	Confident	87.4	Confident	106 Å²	106	69.6 Å²	69.6	50%	0.495	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-39.5	175	-71.8	-179.9	-17.4	0	0	111.3	R109 F113 G114 C116 F120 E121 S125	R109-Q111 PolarHBondContact O-N 3.19Å; Q111-F113 VanDerWaalsContact C-N 3.28Å; Q111-F113 PolarHBondContact O-N 3.23Å; Q111-G114 PolarHBondContact O-N 2.99Å; Q111-C116 PolarHBondContact N-SG 3.36Å; Q111-F120 HydrophobicContact CG-CD1 4.3Å; Q111-F120 HydrophobicContact CG-CE1 3.89Å; Q111-E121 PolarHBondContact NE2-OE2 3.05Å; Q111-S125 PolarHBondContact NE2-OG 3.28Å
112	E	84.6	Confident	87.5	Confident	124 Å²	124	67 Å²	67	58%	0.579	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.4	175.5	-60.9	178.8	-129.6	0	0	112.3	R109	R109-E112 WeakPolarHBondContact CB-OE1 3.44Å; R109-E112 VanDerWaalsContact CG-OE1 3.27Å; R109-E112 WeakPolarHBondContact CG-OE1 3.4Å; R109-E112 IonicContact CZ-OE1 3.63Å; R109-E112 IonicContact CZ-OE2 3.62Å; R109-E112 IonicContact NE-OE1 3.35Å; R109-E112 PolarHBondContact NE-OE1 3.08Å; R109-E112 IonicContact NE-OE2 3.07Å; R109-E112 PolarHBondContact NE-OE2 3.01Å; R109-E112 IonicContact NH2-OE1 2.64Å; R109-E112 IonicContact NH2-OE2 2.66Å; R109-E112 PolarHBondContact NH2-OE2 2.98Å; R109-E112 WeakPolarHBondContact O-CB 3.47Å; R109-E112 PolarHBondContact O-N 2.04Å
113	F	87.8	Confident	87.3	Confident	125 Å²	125	66.8 Å²	66.8	55%	0.548	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	0.5	-178	-63.1	-67.9	0	0	0	113.6	R109 C110 Q111 N115	R109-F113 HydrophobicContact CB-CD2 4.2Å; R109-F113 HydrophobicContact CB-CE2 3.98Å; R109-F113 VanDerWaalsContact O-CD2 3.25Å; R109-F113 WeakPolarHBondContact O-CD2 3.27Å; R109-F113 PolarHBondContact O-N 2.99Å; C110-F113 PolarHBondContact O-N 2.74Å; Q111-F113 VanDerWaalsContact C-N 3.28Å; Q111-F113 PolarHBondContact O-N 3.23Å; F113-N115 PolarHBondContact O-N 2.68Å
114	G	89.8	Confident	86.8	Confident	73 Å²	73	59.3 Å²	59.3	75%	0.753	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	23.8	-178.9	0	0	0	0	0	114.6	C110 Q111	C110-G114 PolarHBondContact O-N 3.35Å; Q111-G114 PolarHBondContact O-N 2.99Å
115	N	92.6	Very high	85.2	Confident	41 Å²	41	60.1 Å²	60.1	22%	0.219	32%	0.319	C	S	.	.			trans	-120	19.8	-169.4	69.7	0.3	0	0	0	114	C104 H105 C110 F113	C104-N115 WeakPolarHBondContact CA-O 3.03Å; H105-N115 PolarHBondContact CD2-ND2 2.95Å; H105-N115 PolarHBondContact N-O 2.03Å; H105-N115 PolarHBondContact NE2-ND2 2.55Å; C110-N115 VanDerWaalsContact CA-OD1 3.22Å; C110-N115 WeakPolarHBondContact CA-OD1 3.24Å; C110-N115 WeakPolarHBondContact CB-OD1 3.23Å; C110-N115 PolarHBondContact O-N 3.44Å; C110-N115 PolarHBondContact O-OD1 3.38Å; F113-N115 PolarHBondContact O-N 2.68Å
116	C	92.6	Very high	83.3	Confident	36 Å²	36	63.4 Å²	63.4	24%	0.243	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-61.7	152.6	172.3	-61.4	0	0	0	0	112.8	H105 C110 Q111 F120	H105-C116 CarbonylContact O-C 3.53Å; H105-C116 VanDerWaalsContact O-CA 3.27Å; H105-C116 WeakPolarHBondContact O-CA 3.48Å; C110-C116 HydrophobicContact CB-CB 3.94Å; C110-C116 WeakPolarHBondContact CB-SG 3.27Å; C110-C116 WeakPolarHBondContact SG-CA 3.08Å; C110-C116 WeakPolarHBondContact SG-CB 3.46Å; C110-C116 CovalentContact SG-SG 2.04Å; C110-C116 PolarHBondContact SG-SG 3.17Å; Q111-C116 PolarHBondContact N-SG 3.36Å; C116-F120 HydrophobicContact CB-CB 3.74Å; C116-F120 HydrophobicContact CB-CD1 4.19Å; C116-F120 HydrophobicContact CB-CG 3.95Å
117	C	93.1	Very high	81.5	Confident	5 Å²	5	69.9 Å²	69.9	3%	0.034	37%	0.368	C	S	.	.			trans	-67.5	154	162.3	-58.6	0	0	0	0	110.8	C104 H105 D119 F120	C104-C117 HydrophobicContact CB-CB 3.88Å; C104-C117 WeakPolarHBondContact CB-SG 3.38Å; C104-C117 PolarHBondContact O-SG 3.4Å; C104-C117 VanDerWaalsContact O-SG 3.4Å; C104-C117 WeakPolarHBondContact SG-CA 3.09Å; C104-C117 WeakPolarHBondContact SG-CB 3.37Å; C104-C117 CovalentContact SG-SG 2.04Å; C104-C117 PolarHBondContact SG-SG 3.07Å; H105-C117 PolarHBondContact O-N 3.33Å; C117-D119 VanDerWaalsContact CB-OD1 3.24Å; C117-D119 WeakPolarHBondContact CB-OD1 3.39Å; C117-D119 PolarHBondContact O-N 3.35Å; C117-D119 VanDerWaalsContact O-N 3.08Å; C117-F120 VanDerWaalsContact O-CB 3.23Å; C117-F120 WeakPolarHBondContact O-CB 3.49Å; C117-F120 PolarHBondContact O-N 3.29Å
118	K	93.3	Very high	79.3	Confident	212 Å²	212	76 Å²	76	92%	0.922	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.8	-171.9	-68	-178.2	177.9	177.9	0	114
119	D	89.1	Confident	77.5	Confident	31 Å²	31	76.2 Å²	76.2	17%	0.166	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.6	-178.7	57.5	-12.7	0	0	0	113.3	S89 C90 C117 E121 S122 L123	S89-D119 WeakPolarHBondContact CA-OD1 3.29Å; S89-D119 WeakPolarHBondContact CA-OD2 3.09Å; S89-D119 WeakPolarHBondContact CB-OD2 3.34Å; S89-D119 PolarHBondContact OG-OD2 3.15Å; C90-D119 VanDerWaalsContact N-CG 3.29Å; C90-D119 PolarHBondContact N-OD1 3.09Å; C90-D119 PolarHBondContact N-OD2 3.33Å; C117-D119 VanDerWaalsContact CB-OD1 3.24Å; C117-D119 WeakPolarHBondContact CB-OD1 3.39Å; C117-D119 PolarHBondContact O-N 3.35Å; C117-D119 VanDerWaalsContact O-N 3.08Å; D119-E121 VanDerWaalsContact C-N 3.29Å; D119-E121 PolarHBondContact O-N 2.57Å; D119-S122 WeakPolarHBondContact CA-OG 3.25Å; D119-S122 CarbonylContact O-C 3.59Å; D119-S122 PolarHBondContact O-N 2.88Å; D119-S122 VanDerWaalsContact O-N 3.08Å; D119-S122 PolarHBondContact O-OG 2.97Å; D119-L123 HydrophobicContact CB-CD1 3.86Å; D119-L123 HydrophobicContact CB-CG 4.24Å; D119-L123 WeakPolarHBondContact O-CB 3.42Å; D119-L123 WeakPolarHBondContact O-CG 3.31Å; D119-L123 PolarHBondContact O-N 2.76Å; D119-L123 WeakPolarHBondContact OD2-CD1 3.48Å
120	F	86.9	Confident	75.7	Confident	6 Å²	6	77.1 Å²	77.1	3%	0.026	41%	0.41	C	S	.	.	H	α-helix	trans	-54.9	-42.9	176.9	178.2	-93.5	0	0	0	112.5	C106 C110 Q111 C116 C117 S122 L123 C124 S125	C106-F120 HydrophobicContact CB-CD2 4.34Å; C110-F120 VanDerWaalsContact SG-CD2 3.56Å; C110-F120 VanDerWaalsContact SG-CE2 3.56Å; Q111-F120 HydrophobicContact CG-CD1 4.3Å; Q111-F120 HydrophobicContact CG-CE1 3.89Å; C116-F120 HydrophobicContact CB-CB 3.74Å; C116-F120 HydrophobicContact CB-CD1 4.19Å; C116-F120 HydrophobicContact CB-CG 3.95Å; C117-F120 VanDerWaalsContact O-CB 3.23Å; C117-F120 WeakPolarHBondContact O-CB 3.49Å; C117-F120 PolarHBondContact O-N 3.29Å; F120-S122 VanDerWaalsContact C-N 3.28Å; F120-S122 PolarHBondContact O-N 3.31Å; F120-L123 PolarHBondContact O-N 3.4Å; F120-C124 HydrophobicContact CD2-CB 3.57Å; F120-C124 VanDerWaalsContact CD2-SG 3.6Å; F120-C124 HydrophobicContact CE2-CB 3.5Å; F120-C124 HydrophobicContact CG-CB 4.17Å; F120-C124 HydrophobicContact CZ-CB 4.04Å; F120-C124 WeakPolarHBondContact O-CA 3.09Å; F120-C124 WeakPolarHBondContact O-CB 3.44Å; F120-C124 PolarHBondContact O-N 3.09Å; F120-S125 WeakPolarHBondContact CE1-OG 3.42Å; F120-S125 PolarHBondContact O-N 3.44Å; F120-S125 VanDerWaalsContact O-N 3.15Å
121	E	81.9	Confident	73.3	Confident	121 Å²	121	81.6 Å²	81.6	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-64.4	-36	179.1	-154.4	69	-167.4	0	0	111.7	Q111 D119 S125	Q111-E121 PolarHBondContact NE2-OE2 3.05Å; D119-E121 VanDerWaalsContact C-N 3.29Å; D119-E121 PolarHBondContact O-N 2.57Å; E121-S125 PolarHBondContact OE2-OG 3.49Å
122	S	81.6	Confident	70.8	Confident	82 Å²	82	80.6 Å²	80.6	57%	0.573	44%	0.437	S	S	*	.	H	α-helix	trans	-88.4	-9.2	-178.7	49	0	0	0	0	115.6	D119 F120	D119-S122 WeakPolarHBondContact CA-OG 3.25Å; D119-S122 CarbonylContact O-C 3.59Å; D119-S122 PolarHBondContact O-N 2.88Å; D119-S122 VanDerWaalsContact O-N 3.08Å; D119-S122 PolarHBondContact O-OG 2.97Å; F120-S122 VanDerWaalsContact C-N 3.28Å; F120-S122 PolarHBondContact O-N 3.31Å
123	L	79	Confident	69	Low	62 Å²	62	80.4 Å²	80.4	33%	0.325	45%	0.45	S	S	.	.	H	α-helix	trans	-125.9	-24.8	-175.9	-63.4	179.7	0	0	0	113.8	C90 Q91 C94 D119 F120	C90-L123 HydrophobicContact CB-CB 4.41Å; C90-L123 HydrophobicContact CB-CD1 4.21Å; Q91-L123 HydrophobicContact CB-CD1 4.37Å; C94-L123 PolarHBondContact SG-O 3.26Å; D119-L123 HydrophobicContact CB-CD1 3.86Å; D119-L123 HydrophobicContact CB-CG 4.24Å; D119-L123 WeakPolarHBondContact O-CB 3.42Å; D119-L123 WeakPolarHBondContact O-CG 3.31Å; D119-L123 PolarHBondContact O-N 2.76Å; D119-L123 WeakPolarHBondContact OD2-CD1 3.48Å; F120-L123 PolarHBondContact O-N 3.4Å
124	C	74.8	Confident	67.2	Low	0 Å²	0	79.2 Å²	79.2	0%	0	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-27.5	-173.4	-47.6	0	0	0	0	114	C90 C94 Y95 F120 D126 H127	C90-C124 VanDerWaalsContact CB-SG 3.55Å; C94-C124 WeakPolarHBondContact CA-SG 3.32Å; C94-C124 HydrophobicContact CB-CB 3.78Å; C94-C124 WeakPolarHBondContact CB-SG 3.44Å; C94-C124 WeakPolarHBondContact SG-CA 3.44Å; C94-C124 WeakPolarHBondContact SG-CB 3.47Å; C94-C124 CovalentContact SG-SG 2.04Å; C94-C124 PolarHBondContact SG-SG 3.21Å; Y95-C124 HydrophobicContact CE2-CB 4.41Å; Y95-C124 PolarHBondContact OH-O 3.45Å; F120-C124 HydrophobicContact CD2-CB 3.57Å; F120-C124 VanDerWaalsContact CD2-SG 3.6Å; F120-C124 HydrophobicContact CE2-CB 3.5Å; F120-C124 HydrophobicContact CG-CB 4.17Å; F120-C124 HydrophobicContact CZ-CB 4.04Å; F120-C124 WeakPolarHBondContact O-CA 3.09Å; F120-C124 WeakPolarHBondContact O-CB 3.44Å; F120-C124 PolarHBondContact O-N 3.09Å; C124-D126 PolarHBondContact O-N 3.42Å; C124-D126 VanDerWaalsContact O-N 3.15Å; C124-H127 WeakPolarHBondContact O-CB 3.43Å; C124-H127 PolarHBondContact O-N 3.17Å
125	S	58.9	Low	65.7	Low	31 Å²	31	80.3 Å²	80.3	22%	0.217	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-71.4	-10.4	-173.6	-65.5	0	0	0	0	114.8	Q111 F120 E121 H127	Q111-S125 PolarHBondContact NE2-OG 3.28Å; F120-S125 WeakPolarHBondContact CE1-OG 3.42Å; F120-S125 PolarHBondContact O-N 3.44Å; F120-S125 VanDerWaalsContact O-N 3.15Å; E121-S125 PolarHBondContact OE2-OG 3.49Å; S125-H127 PolarHBondContact O-N 2.79Å
126	D	51.4	Low	65	Low	81 Å²	81	80.6 Å²	80.6	43%	0.433	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-74.3	-7.4	168.3	-69.6	-33.3	0	0	0	113.8	C124 H132	C124-D126 PolarHBondContact O-N 3.42Å; C124-D126 VanDerWaalsContact O-N 3.15Å; D126-H132 IonicContact OD1-CD2 2.68Å; D126-H132 IonicContact OD1-CE1 2.79Å; D126-H132 IonicContact OD1-NE2 2.74Å; D126-H132 PolarHBondContact OD1-NE2 3.35Å; D126-H132 IonicContact OD2-CD2 3.35Å; D126-H132 PolarHBondContact OD2-CD2 3.39Å; D126-H132 IonicContact OD2-NE2 3.43Å; D126-H132 PolarHBondContact OD2-NE2 2.89Å
127	H	49.8	Very low	64.9	Low	136 Å²	136	79 Å²	79	63%	0.63	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-100.4	-1.3	-176.8	-85.9	-81.2	0	0	0	115.3	Y95 C124 S125 G129	Y95-H127 HydrophobicContact CE2-CB 3.43Å; Y95-H127 VanDerWaalsContact CE2-CB 3.43Å; Y95-H127 VanDerWaalsContact OH-CB 3.26Å; Y95-H127 WeakPolarHBondContact OH-CB 3.38Å; C124-H127 WeakPolarHBondContact O-CB 3.43Å; C124-H127 PolarHBondContact O-N 3.17Å; S125-H127 PolarHBondContact O-N 2.79Å; H127-G129 PolarHBondContact O-N 2.7Å
128	E	38.9	Very low	64.9	Low	147 Å²	147	81.5 Å²	81.5	69%	0.687	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	58.6	164	-79.7	-72.3	130.8	0	0	111.2	Y95	Y95-E128 PolarHBondContact OH-N 2.79Å
129	G	42.7	Very low	64.8	Low	55 Å²	55	75.8 Å²	75.8	57%	0.567	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	70.7	165.8	0	0	0	0	0	117.6	H127	H127-G129 PolarHBondContact O-N 2.7Å
130	F	46.8	Very low	65.1	Low	145 Å²	145	80 Å²	80	64%	0.636	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	65.3	157.8	-68.2	-85.9	0	0	0	116.7	P370	F130-P370 HydrophobicContact CE2-CG 4.01Å; F130-P370 HydrophobicContact CZ-CG 4.03Å
131	S	37.3	Very low	65.6	Low	95 Å²	95	82.7 Å²	82.7	66%	0.664	46%	0.464	S	S	*	.			trans	-153.9	78.2	168.1	-173	0	0	0	0	117.3
132	H	34.3	Very low	66.4	Low	84 Å²	84	77 Å²	77	39%	0.389	44%	0.437	S	S	.	.				-112.3	142.7	129.7	-82.8	-58.1	0	0	0	109.8	D126 S134 D135 A136	D126-H132 IonicContact OD1-CD2 2.68Å; D126-H132 IonicContact OD1-CE1 2.79Å; D126-H132 IonicContact OD1-NE2 2.74Å; D126-H132 PolarHBondContact OD1-NE2 3.35Å; D126-H132 IonicContact OD2-CD2 3.35Å; D126-H132 PolarHBondContact OD2-CD2 3.39Å; D126-H132 IonicContact OD2-NE2 3.43Å; D126-H132 PolarHBondContact OD2-NE2 2.89Å; H132-S134 PolarHBondContact O-N 3.1Å; H132-D135 HydrophobicContact CB-CB 4.06Å; H132-D135 PolarHBondContact O-N 2.98Å; H132-D135 VanDerWaalsContact O-N 3.12Å; H132-A136 PolarHBondContact O-N 3.25Å
133	S	46.7	Very low	67.2	Low	121 Å²	121	75.1 Å²	75.1	85%	0.846	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.9	178.7	-171	0	0	0	0	113.4
134	S	49.6	Very low	68.1	Low	99 Å²	99	75.4 Å²	75.4	69%	0.692	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-28.7	169.3	46.1	0	0	0	0	112.8	H132	H132-S134 PolarHBondContact O-N 3.1Å
135	D	58	Low	69.2	Low	96 Å²	96	75.5 Å²	75.5	51%	0.513	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	1.7	-164.2	-65.3	26.2	0	0	0	111.9	H132 R253	H132-D135 HydrophobicContact CB-CB 4.06Å; H132-D135 PolarHBondContact O-N 2.98Å; H132-D135 VanDerWaalsContact O-N 3.12Å; D135-R253 PolarHBondContact O-NH1 3.41Å; D135-R253 PolarHBondContact O-NH2 2.89Å
136	A	78.7	Confident	71.1	Confident	48 Å²	48	74 Å²	74	40%	0.397	42%	0.417	S	S	.	.	S	Bend	trans	-91.9	115.5	171	0	0	0	0	0	109.5	H132 T138	H132-A136 PolarHBondContact O-N 3.25Å; A136-T138 PolarHBondContact O-N 2.88Å
137	I	90.5	Very high	73.4	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.015	40%	0.402	C	S	.	.			trans	-46.6	120.1	174.5	-52.8	175.8	0	0	0	108.5	E141 I142 F247 L248 Q251 A368 R369	I137-E141 HydrophobicContact CG2-CB 3.99Å; I137-I142 HydrophobicContact CG2-CG1 3.87Å; I137-F247 HydrophobicContact CD1-CE1 4.29Å; I137-F247 HydrophobicContact CG2-CE1 4.04Å; I137-F247 HydrophobicContact CG2-CZ 3.56Å; I137-L248 HydrophobicContact CD1-CD2 4.28Å; I137-Q251 HydrophobicContact CD1-CB 4.44Å; I137-Q251 HydrophobicContact CD1-CG 4.43Å; I137-Q251 HydrophobicContact CG1-CB 4.4Å; I137-Q251 HydrophobicContact CG1-CG 4.25Å; I137-A368 HydrophobicContact CB-CB 4.37Å; I137-A368 HydrophobicContact CD1-CB 3.86Å; I137-R369 VanDerWaalsContact O-CZ 3.22Å; I137-R369 PolarHBondContact O-NH1 3.44Å; I137-R369 PolarHBondContact O-NH2 3.06Å
138	T	92.4	Very high	75.7	Confident	56 Å²	56	68.6 Å²	68.6	34%	0.344	39%	0.388	S	S	.	.			trans	-69.4	168.3	-173.8	62.1	0	0	0	0	111.9	A136 E140 E141 I142	A136-T138 PolarHBondContact O-N 2.88Å; T138-E140 VanDerWaalsContact C-N 3.28Å; T138-E141 VanDerWaalsContact CB-OE2 3.3Å; T138-E141 WeakPolarHBondContact CB-OE2 3.06Å; T138-E141 WeakPolarHBondContact CG2-OE2 3.5Å; T138-E141 PolarHBondContact N-OE2 2.92Å; T138-E141 WeakPolarHBondContact OG1-CB 3.46Å; T138-E141 VanDerWaalsContact OG1-CD 3.27Å; T138-E141 WeakPolarHBondContact OG1-CG 3.46Å; T138-E141 PolarHBondContact OG1-N 2.97Å; T138-E141 VanDerWaalsContact OG1-N 3.08Å; T138-E141 PolarHBondContact OG1-OE2 3.31Å; T138-I142 VanDerWaalsContact O-CG1 3.3Å; T138-I142 WeakPolarHBondContact O-CG1 3.36Å; T138-I142 PolarHBondContact O-N 2.04Å
139	K	92.3	Very high	78.6	Confident	92 Å²	92	61.6 Å²	61.6	40%	0.4	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-39.6	173.3	176	-165.8	168.4	-142.9	0	109.7	E141 I142 Q143 Q375	K139-E141 PolarHBondContact O-N 3.48Å; K139-I142 WeakPolarHBondContact O-CB 3.11Å; K139-I142 PolarHBondContact O-N 3.28Å; K139-Q143 VanDerWaalsContact CE-OE1 3.24Å; K139-Q143 HydrophobicContact CG-CG 4.43Å; K139-Q143 WeakPolarHBondContact O-CG 3.39Å; K139-Q143 PolarHBondContact O-N 3.32Å; K139-Q375 HydrophobicContact CG-CB 4.29Å
140	E	95.4	Very high	81.2	Confident	119 Å²	119	61 Å²	61	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-38.8	-175.4	-66.5	58.4	-133.1	0	0	110.6	T138 S144	T138-E140 VanDerWaalsContact C-N 3.28Å; E140-S144 VanDerWaalsContact O-CB 3.25Å; E140-S144 WeakPolarHBondContact O-CB 3.49Å; E140-S144 PolarHBondContact O-N 3.4Å
141	E	97.5	Very high	83.7	Confident	63 Å²	63	62.1 Å²	62.1	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-44	169.8	-74.3	164.4	126.7	0	0	112.7	I137 T138 K139 Q143 S144 I145 F247 Q251	I137-E141 HydrophobicContact CG2-CB 3.99Å; T138-E141 VanDerWaalsContact CB-OE2 3.3Å; T138-E141 WeakPolarHBondContact CB-OE2 3.06Å; T138-E141 WeakPolarHBondContact CG2-OE2 3.5Å; T138-E141 PolarHBondContact N-OE2 2.92Å; T138-E141 WeakPolarHBondContact OG1-CB 3.46Å; T138-E141 VanDerWaalsContact OG1-CD 3.27Å; T138-E141 WeakPolarHBondContact OG1-CG 3.46Å; T138-E141 PolarHBondContact OG1-N 2.97Å; T138-E141 VanDerWaalsContact OG1-N 3.08Å; T138-E141 PolarHBondContact OG1-OE2 3.31Å; K139-E141 PolarHBondContact O-N 3.48Å; E141-Q143 VanDerWaalsContact C-N 3.34Å; E141-Q143 PolarHBondContact O-N 3.38Å; E141-S144 WeakPolarHBondContact O-CB 3.4Å; E141-S144 PolarHBondContact O-N 3.15Å; E141-S144 VanDerWaalsContact O-N 3.17Å; E141-I145 WeakPolarHBondContact O-CG2 3.33Å; E141-I145 PolarHBondContact O-N 3.08Å; E141-F247 HydrophobicContact CB-CE2 4.03Å; E141-F247 HydrophobicContact CB-CZ 3.99Å; E141-Q251 PolarHBondContact OE1-NE2 3.36Å
142	I	98	Very high	86.6	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-58.6	-45.5	176	-70.1	169	0	0	0	110.9	I137 T138 K139 S144 I145 S146 A368 R369 Q375 L376	I137-I142 HydrophobicContact CG2-CG1 3.87Å; T138-I142 VanDerWaalsContact O-CG1 3.3Å; T138-I142 WeakPolarHBondContact O-CG1 3.36Å; T138-I142 PolarHBondContact O-N 2.04Å; K139-I142 WeakPolarHBondContact O-CB 3.11Å; K139-I142 PolarHBondContact O-N 3.28Å; I142-S144 VanDerWaalsContact C-N 3.34Å; I142-I145 WeakPolarHBondContact O-CG2 3.45Å; I142-S146 WeakPolarHBondContact O-CB 3.38Å; I142-S146 PolarHBondContact O-N 2.86Å; I142-S146 PolarHBondContact O-OG 2.8Å; I142-A368 HydrophobicContact CD1-CB 3.83Å; I142-A368 HydrophobicContact CG1-CB 4.25Å; I142-R369 HydrophobicContact CD1-CG 3.95Å; I142-Q375 VanDerWaalsContact CG2-O 3.31Å; I142-Q375 WeakPolarHBondContact CG2-O 3.36Å; I142-L376 HydrophobicContact CG2-CD2 3.42Å; I142-L376 VanDerWaalsContact CG2-CD2 3.42Å
143	Q	97.8	Very high	89.6	Confident	43 Å²	43	54.5 Å²	54.5	20%	0.201	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-35.7	177	-65.2	-168	-71.3	0	0	111.9	K139 E141 S146 E147 Q375 L376	K139-Q143 VanDerWaalsContact CE-OE1 3.24Å; K139-Q143 HydrophobicContact CG-CG 4.43Å; K139-Q143 WeakPolarHBondContact O-CG 3.39Å; K139-Q143 PolarHBondContact O-N 3.32Å; E141-Q143 VanDerWaalsContact C-N 3.34Å; E141-Q143 PolarHBondContact O-N 3.38Å; Q143-S146 PolarHBondContact O-OG 2.82Å; Q143-E147 WeakPolarHBondContact O-CB 3.2Å; Q143-E147 VanDerWaalsContact O-CG 3.28Å; Q143-E147 WeakPolarHBondContact O-CG 3.5Å; Q143-E147 PolarHBondContact O-N 3.12Å; Q143-Q375 WeakPolarHBondContact CG-O 3.27Å; Q143-L376 PolarHBondContact NE2-O 2.91Å
144	S	98.4	Very high	92.1	Very high	69 Å²	69	53.9 Å²	53.9	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-44.6	175.6	-174.2	0	0	0	0	112.6	E140 E141 I142 E147 K148	E140-S144 VanDerWaalsContact O-CB 3.25Å; E140-S144 WeakPolarHBondContact O-CB 3.49Å; E140-S144 PolarHBondContact O-N 3.4Å; E141-S144 WeakPolarHBondContact O-CB 3.4Å; E141-S144 PolarHBondContact O-N 3.15Å; E141-S144 VanDerWaalsContact O-N 3.17Å; I142-S144 VanDerWaalsContact C-N 3.34Å; S144-E147 WeakPolarHBondContact O-CB 3.36Å; S144-K148 WeakPolarHBondContact O-CG 3.44Å; S144-K148 PolarHBondContact O-N 3.42Å
145	I	98.7	Very high	94.4	Very high	2 Å²	2	51 Å²	51	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-74.1	-35.7	179.1	-172	57.8	0	0	0	112.6	E141 I142 E147 K148 I149 E243 F247 L364	E141-I145 WeakPolarHBondContact O-CG2 3.33Å; E141-I145 PolarHBondContact O-N 3.08Å; I142-I145 WeakPolarHBondContact O-CG2 3.45Å; I145-E147 VanDerWaalsContact C-N 3.29Å; I145-E147 PolarHBondContact O-N 3.26Å; I145-K148 HydrophobicContact CD1-CB 4.27Å; I145-K148 HydrophobicContact CD1-CD 4.03Å; I145-K148 WeakPolarHBondContact O-CB 3.37Å; I145-K148 PolarHBondContact O-N 2.85Å; I145-K148 VanDerWaalsContact O-N 3.15Å; I145-I149 HydrophobicContact CD1-CD1 4.49Å; I145-I149 HydrophobicContact CD1-CG1 4.49Å; I145-I149 HydrophobicContact CG1-CD1 3.97Å; I145-I149 HydrophobicContact CG1-CG1 4.45Å; I145-I149 WeakPolarHBondContact O-CG1 3.4Å; I145-I149 PolarHBondContact O-N 3.49Å; I145-E243 HydrophobicContact CD1-CB 4.08Å; I145-F247 HydrophobicContact CB-CD1 4.14Å; I145-F247 HydrophobicContact CB-CD2 4.06Å; I145-F247 HydrophobicContact CB-CE1 4.28Å; I145-F247 HydrophobicContact CB-CE2 4.2Å; I145-F247 HydrophobicContact CB-CG 4.01Å; I145-F247 HydrophobicContact CB-CZ 4.29Å; I145-F247 HydrophobicContact CD1-CB 3.65Å; I145-F247 HydrophobicContact CD1-CD2 4.42Å; I145-F247 HydrophobicContact CD1-CG 4.01Å; I145-F247 HydrophobicContact CG1-CB 3.83Å; I145-F247 HydrophobicContact CG1-CD1 3.85Å; I145-F247 HydrophobicContact CG1-CD2 4.2Å; I145-F247 HydrophobicContact CG1-CE1 4.44Å; I145-F247 HydrophobicContact CG1-CG 3.69Å; I145-F247 HydrophobicContact CG2-CD1 4.03Å; I145-F247 HydrophobicContact CG2-CE1 3.78Å; I145-F247 HydrophobicContact CG2-CE2 4.33Å; I145-F247 HydrophobicContact CG2-CG 4.39Å; I145-F247 HydrophobicContact CG2-CZ 3.92Å; I145-L364 HydrophobicContact CG2-CD1 3.88Å; I145-L364 HydrophobicContact CG2-CD2 3.57Å; I145-L364 HydrophobicContact CG2-CG 4.38Å
146	S	98.7	Very high	96.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-36.7	175.6	66.6	0	0	0	0	111.9	I142 Q143 I149 Y150 S377	I142-S146 WeakPolarHBondContact O-CB 3.38Å; I142-S146 PolarHBondContact O-N 2.86Å; I142-S146 PolarHBondContact O-OG 2.8Å; Q143-S146 PolarHBondContact O-OG 2.82Å; S146-I149 PolarHBondContact O-N 3.43Å; S146-Y150 WeakPolarHBondContact O-CB 3.27Å; S146-Y150 PolarHBondContact O-N 3.04Å; S146-S377 CarbonylContact C-O 3.57Å; S146-S377 WeakPolarHBondContact CB-O 3.32Å; S146-S377 PolarHBondContact OG-N 3.48Å; S146-S377 PolarHBondContact OG-O 2.87Å
147	E	98.6	Very high	97.2	Very high	22 Å²	22	45.5 Å²	45.5	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-36.2	171.9	-87.2	-63.9	149.2	0	0	113.5	Q143 S144 I145 R151 S377 L378 G379 G380	Q143-E147 WeakPolarHBondContact O-CB 3.2Å; Q143-E147 VanDerWaalsContact O-CG 3.28Å; Q143-E147 WeakPolarHBondContact O-CG 3.5Å; Q143-E147 PolarHBondContact O-N 3.12Å; S144-E147 WeakPolarHBondContact O-CB 3.36Å; I145-E147 VanDerWaalsContact C-N 3.29Å; I145-E147 PolarHBondContact O-N 3.26Å; E147-R151 WeakPolarHBondContact O-CG 3.46Å; E147-R151 PolarHBondContact O-N 3.15Å; E147-R151 PolarHBondContact O-NE 2.84Å; E147-R151 IonicContact OE2-CZ 3.19Å; E147-R151 IonicContact OE2-NE 3.39Å; E147-R151 IonicContact OE2-NH2 3.15Å; E147-R151 PolarHBondContact OE2-NH2 3.4Å; E147-S377 PolarHBondContact N-O 2.89Å; E147-S377 VanDerWaalsContact OE1-C 3.26Å; E147-S377 PolarHBondContact OE1-OG 3.42Å; E147-L378 VanDerWaalsContact OE1-C 3.28Å; E147-L378 WeakPolarHBondContact OE1-CA 3.48Å; E147-L378 PolarHBondContact OE1-N 3.26Å; E147-G379 PolarHBondContact OE1-N 3.18Å; E147-G380 PolarHBondContact OE1-N 3.04Å
148	K	98.8	Very high	97.6	Very high	81 Å²	81	49.8 Å²	49.8	35%	0.352	24%	0.244	S	C	.	.	H	α-helix	trans	-69.6	-47.1	172	-68.8	-173.6	179.9	-172.6	0	111.8	S144 I145 Y150 R151 A152 E243	S144-K148 WeakPolarHBondContact O-CG 3.44Å; S144-K148 PolarHBondContact O-N 3.42Å; I145-K148 HydrophobicContact CD1-CB 4.27Å; I145-K148 HydrophobicContact CD1-CD 4.03Å; I145-K148 WeakPolarHBondContact O-CB 3.37Å; I145-K148 PolarHBondContact O-N 2.85Å; I145-K148 VanDerWaalsContact O-N 3.15Å; K148-Y150 VanDerWaalsContact C-N 3.27Å; K148-Y150 PolarHBondContact O-N 2.91Å; K148-R151 CarbonylContact O-C 3.54Å; K148-R151 PolarHBondContact O-N 2.93Å; K148-A152 WeakPolarHBondContact O-CB 3.48Å; K148-A152 PolarHBondContact O-N 3.48Å; K148-E243 HydrophobicContact CB-CG 4.39Å; K148-E243 WeakPolarHBondContact CD-OE2 3.26Å; K148-E243 IonicContact NZ-OE2 2.75Å; K148-E243 PolarHBondContact NZ-OE2 2.74Å
149	I	98.8	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.8	-43.5	177	-75.6	165.9	0	0	0	110.5	I145 S146 R151 A152 D153 V240 E243 L244 F357 A360 L361	I145-I149 HydrophobicContact CD1-CD1 4.49Å; I145-I149 HydrophobicContact CD1-CG1 4.49Å; I145-I149 HydrophobicContact CG1-CD1 3.97Å; I145-I149 HydrophobicContact CG1-CG1 4.45Å; I145-I149 WeakPolarHBondContact O-CG1 3.4Å; I145-I149 PolarHBondContact O-N 3.49Å; S146-I149 PolarHBondContact O-N 3.43Å; I149-R151 VanDerWaalsContact C-N 3.32Å; I149-R151 PolarHBondContact O-N 3.35Å; I149-A152 PolarHBondContact O-N 3.36Å; I149-A152 VanDerWaalsContact O-N 3.16Å; I149-D153 PolarHBondContact O-N 3.06Å; I149-V240 HydrophobicContact CG2-CG1 4.07Å; I149-E243 HydrophobicContact CG1-CB 4.46Å; I149-L244 HydrophobicContact CD1-CB 4.18Å; I149-L244 HydrophobicContact CD1-CD1 4.32Å; I149-F357 HydrophobicContact CG2-CD2 3.59Å; I149-F357 HydrophobicContact CG2-CE2 3.91Å; I149-A360 HydrophobicContact CD1-CB 4.37Å; I149-A360 HydrophobicContact CG2-CB 4.43Å; I149-L361 HydrophobicContact CB-CD2 4.26Å; I149-L361 HydrophobicContact CD1-CD2 4.09Å; I149-L361 HydrophobicContact CG2-CD2 3.82Å; I149-L361 HydrophobicContact CG2-CG 4.1Å
150	Y	98.1	Very high	98	Very high	43 Å²	43	54 Å²	54	17%	0.169	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-35.3	174.9	175.4	-100.2	0	0	0	114.5	S146 K148 P330 F357 L378 G379	S146-Y150 WeakPolarHBondContact O-CB 3.27Å; S146-Y150 PolarHBondContact O-N 3.04Å; K148-Y150 VanDerWaalsContact C-N 3.27Å; K148-Y150 PolarHBondContact O-N 2.91Å; Y150-P330 HydrophobicContact CD2-CG 4.01Å; Y150-P330 HydrophobicContact CE2-CG 4Å; Y150-F357 HydrophobicContact CD2-CE2 4.43Å; Y150-L378 HydrophobicContact CD2-CB 3.99Å; Y150-L378 HydrophobicContact CD2-CD2 4.35Å; Y150-L378 HydrophobicContact CE2-CB 4.47Å; Y150-L378 HydrophobicContact CG-CB 4.33Å; Y150-L378 HydrophobicContact CG-CD2 4.44Å; Y150-G379 VanDerWaalsContact CE1-CA 3.48Å
151	R	98.2	Very high	98.1	Very high	168 Å²	168	49.5 Å²	49.5	63%	0.634	24%	0.239	S	C	*	.	H	α-helix	trans	-84.3	-24.2	176.1	-64	172.6	-143.8	142.4	2.3	112.9	E147 K148 I149	E147-R151 WeakPolarHBondContact O-CG 3.46Å; E147-R151 PolarHBondContact O-N 3.15Å; E147-R151 PolarHBondContact O-NE 2.84Å; E147-R151 IonicContact OE2-CZ 3.19Å; E147-R151 IonicContact OE2-NE 3.39Å; E147-R151 IonicContact OE2-NH2 3.15Å; E147-R151 PolarHBondContact OE2-NH2 3.4Å; K148-R151 CarbonylContact O-C 3.54Å; K148-R151 PolarHBondContact O-N 2.93Å; I149-R151 VanDerWaalsContact C-N 3.32Å; I149-R151 PolarHBondContact O-N 3.35Å
152	A	98.6	Very high	98.1	Very high	14 Å²	14	46.6 Å²	46.6	12%	0.116	23%	0.225	C	C	.	.	H	α-helix	trans	-80.7	-18.8	177.8	0	0	0	0	0	112.9	K148 I149 T154 A239 V240 E243	K148-A152 WeakPolarHBondContact O-CB 3.48Å; K148-A152 PolarHBondContact O-N 3.48Å; I149-A152 PolarHBondContact O-N 3.36Å; I149-A152 VanDerWaalsContact O-N 3.16Å; A152-T154 PolarHBondContact O-N 3.17Å; A152-A239 HydrophobicContact CB-CB 3.88Å; A152-V240 HydrophobicContact CB-CG2 4.12Å; A152-E243 HydrophobicContact CB-CG 4.41Å
153	D	98.5	Very high	98.1	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	25%	0.247	C	C	.	.			trans	-72.2	91.1	173.5	-170.7	0.5	0	0	0	111.2	I149 N155 K156 V240 S354 F357	I149-D153 PolarHBondContact O-N 3.06Å; D153-N155 PolarHBondContact OD1-N 3.36Å; D153-K156 HydrophobicContact CB-CD 4.31Å; D153-K156 WeakPolarHBondContact O-CD 3.31Å; D153-K156 VanDerWaalsContact O-CE 3.3Å; D153-K156 WeakPolarHBondContact O-CE 3.4Å; D153-K156 WeakPolarHBondContact O-CG 3.41Å; D153-K156 PolarHBondContact OD1-N 3.13Å; D153-K156 WeakPolarHBondContact OD2-CB 3.23Å; D153-V240 HydrophobicContact CB-CG2 3.87Å; D153-S354 WeakPolarHBondContact OD1-CB 3.39Å; D153-S354 PolarHBondContact OD1-OG 2.81Å; D153-S354 PolarHBondContact OD2-N 3.21Å; D153-S354 PolarHBondContact OD2-OG 3.01Å; D153-F357 HydrophobicContact CB-CB 4.26Å; D153-F357 HydrophobicContact CB-CD2 4.04Å; D153-F357 HydrophobicContact CB-CG 4.43Å; D153-F357 VanDerWaalsContact OD2-CB 3.24Å; D153-F357 WeakPolarHBondContact OD2-CB 3.39Å
154	T	97.8	Very high	98.1	Very high	109 Å²	109	50.4 Å²	50.4	67%	0.669	25%	0.246	S	C	*	.			trans	-93.8	-4.4	169.9	55.7	0	0	0	0	112.8	A152	A152-T154 PolarHBondContact O-N 3.17Å
155	N	98.4	Very high	98	Very high	37 Å²	37	49.1 Å²	49.1	20%	0.198	23%	0.234	C	C	.	.	S	Bend	trans	-95.1	-17	-177.6	-91.2	-21.1	0	0	0	113.1	D153 K197 Y200 E356	D153-N155 PolarHBondContact OD1-N 3.36Å; N155-K197 HydrophobicContact CB-CD 4.39Å; N155-K197 WeakPolarHBondContact O-CD 3.23Å; N155-K197 PolarHBondContact O-NZ 3.16Å; N155-Y200 HydrophobicContact CB-CE2 4.32Å; N155-Y200 VanDerWaalsContact O-CE2 3.23Å; N155-Y200 WeakPolarHBondContact O-CE2 3.36Å; N155-Y200 PolarHBondContact O-OH 2.88Å; N155-E356 VanDerWaalsContact CB-OE1 3.26Å; N155-E356 WeakPolarHBondContact CB-OE1 3.42Å; N155-E356 PolarHBondContact ND2-OE1 3.28Å
156	K	98.1	Very high	97.8	Very high	29 Å²	29	50.4 Å²	50.4	13%	0.126	24%	0.243	C	C	.	.	S	Bend	trans	-48.4	159.8	169.4	60.1	-175.3	-174.6	172.3	0	115.6	D153 Q158 K197 Y329 P330 G352	D153-K156 HydrophobicContact CB-CD 4.31Å; D153-K156 WeakPolarHBondContact O-CD 3.31Å; D153-K156 VanDerWaalsContact O-CE 3.3Å; D153-K156 WeakPolarHBondContact O-CE 3.4Å; D153-K156 WeakPolarHBondContact O-CG 3.41Å; D153-K156 PolarHBondContact OD1-N 3.13Å; D153-K156 WeakPolarHBondContact OD2-CB 3.23Å; K156-Q158 PolarHBondContact O-NE2 3.35Å; K156-K197 PolarHBondContact O-NZ 3.09Å; K156-Y329 WeakPolarHBondContact CD-O 3.14Å; K156-Y329 WeakPolarHBondContact CE-O 3.34Å; K156-Y329 PolarHBondContact NZ-O 3.16Å; K156-P330 VanDerWaalsContact CD-CD 3.49Å; K156-G352 CarbonylContact C-O 3.59Å; K156-G352 VanDerWaalsContact CA-O 3.32Å; K156-G352 WeakPolarHBondContact CA-O 3.33Å; K156-G352 VanDerWaalsContact CB-O 3.25Å; K156-G352 WeakPolarHBondContact CB-O 3.46Å
157	A	98.4	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-57.5	144.8	163.2	0	0	0	0	0	111.4	D161 I162 L194 Y329 G352	A157-D161 HydrophobicContact CB-CB 3.93Å; A157-I162 HydrophobicContact CB-CD1 3.66Å; A157-I162 HydrophobicContact CB-CG1 3.98Å; A157-L194 HydrophobicContact CB-CD1 3.77Å; A157-Y329 HydrophobicContact CB-CD2 3.76Å; A157-Y329 HydrophobicContact CB-CE2 4.49Å; A157-Y329 HydrophobicContact CB-CG 4.26Å; A157-G352 WeakPolarHBondContact CB-O 3.46Å; A157-G352 PolarHBondContact N-O 3.42Å
158	Q	97.3	Very high	97.5	Very high	94 Å²	94	55.6 Å²	55.6	44%	0.439	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-87.8	168.8	159.6	-53.5	-50.8	-75.6	0	0	110.1	K156 E160 D161 Y329	K156-Q158 PolarHBondContact O-NE2 3.35Å; Q158-E160 PolarHBondContact O-N 2.9Å; Q158-E160 VanDerWaalsContact O-N 3.09Å; Q158-D161 PolarHBondContact N-OD2 3.49Å; Q158-D161 WeakPolarHBondContact O-CB 3.28Å; Q158-D161 PolarHBondContact O-N 2.86Å; Q158-Y329 WeakPolarHBondContact O-CD2 3.49Å; Q158-Y329 WeakPolarHBondContact O-CE2 3.25Å
159	K	96	Very high	97.3	Very high	97 Å²	97	55.2 Å²	55.2	42%	0.422	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.6	-177.3	-172.3	169.4	-175	147.3	0	113.2	D327	K159-D327 VanDerWaalsContact CD-O 3.29Å; K159-D327 WeakPolarHBondContact CD-O 3.49Å; K159-D327 WeakPolarHBondContact CE-O 3.49Å; K159-D327 PolarHBondContact NZ-O 3.36Å; K159-D327 IonicContact NZ-OD2 3.73Å; K159-D327 PolarHBondContact NZ-OD2 3.37Å
160	E	97	Very high	97	Very high	139 Å²	139	55.6 Å²	55.6	65%	0.65	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.3	178.9	-56.9	70.6	-155.3	0	0	113.4	Q158	Q158-E160 PolarHBondContact O-N 2.9Å; Q158-E160 VanDerWaalsContact O-N 3.09Å
161	D	98.4	Very high	96.7	Very high	24 Å²	24	56 Å²	56	13%	0.128	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.8	-178.3	-73.1	-38	0	0	0	113.1	A157 Q158 V190 N191 L194	A157-D161 HydrophobicContact CB-CB 3.93Å; Q158-D161 PolarHBondContact N-OD2 3.49Å; Q158-D161 WeakPolarHBondContact O-CB 3.28Å; Q158-D161 PolarHBondContact O-N 2.86Å; D161-V190 CarbonylContact O-C 3.59Å; D161-V190 WeakPolarHBondContact O-CA 3.41Å; D161-N191 HydrophobicContact CB-CB 4Å; D161-N191 PolarHBondContact O-N 2.69Å; D161-N191 WeakPolarHBondContact OD1-CB 3.38Å; D161-N191 PolarHBondContact OD1-ND2 2.63Å; D161-L194 HydrophobicContact CB-CD1 4.03Å
162	I	98.5	Very high	96.2	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.1	178.9	-59.9	175.6	0	0	0	108.4	A157 L164 F187 Y189 V190 W303 Y329 I351 G352	A157-I162 HydrophobicContact CB-CD1 3.66Å; A157-I162 HydrophobicContact CB-CG1 3.98Å; I162-L164 HydrophobicContact CG2-CD2 3.74Å; I162-L164 HydrophobicContact CG2-CG 4.25Å; I162-F187 HydrophobicContact CG2-CD1 3.84Å; I162-F187 HydrophobicContact CG2-CE1 3.81Å; I162-Y189 WeakPolarHBondContact CA-O 3.26Å; I162-V190 HydrophobicContact CG1-CG1 4.43Å; I162-V190 HydrophobicContact CG1-CG2 4.35Å; I162-V190 HydrophobicContact CG2-CG2 4.46Å; I162-W303 HydrophobicContact CD1-CD2 4.45Å; I162-W303 HydrophobicContact CD1-CE3 4.03Å; I162-W303 HydrophobicContact CD1-CH2 3.62Å; I162-W303 HydrophobicContact CD1-CZ2 4.06Å; I162-W303 HydrophobicContact CD1-CZ3 3.61Å; I162-W303 HydrophobicContact CG1-CH2 4.46Å; I162-W303 HydrophobicContact CG1-CZ3 4.38Å; I162-Y329 HydrophobicContact CB-CE2 3.72Å; I162-Y329 HydrophobicContact CD1-CE2 4.43Å; I162-Y329 HydrophobicContact CG1-CE2 4.36Å; I162-Y329 PolarHBondContact O-OH 3.41Å; I162-I351 HydrophobicContact CD1-CG2 4.37Å; I162-G352 VanDerWaalsContact CD1-CA 3.49Å
163	I	97.8	Very high	95.7	Very high	91 Å²	91	55.1 Å²	55.1	47%	0.467	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	107.9	173.1	-53.8	174.9	0	0	0	109	T188 Y189	I163-T188 WeakPolarHBondContact CG2-OG1 3.16Å; I163-T188 PolarHBondContact O-N 3.15Å; I163-T188 PolarHBondContact O-OG1 3.35Å; I163-Y189 HydrophobicContact CD1-CD1 4.17Å; I163-Y189 HydrophobicContact CD1-CG 4.42Å; I163-Y189 HydrophobicContact CG1-CD1 4.12Å; I163-Y189 PolarHBondContact N-O 3.47Å; I163-Y189 PolarHBondContact O-N 3.03Å
164	L	97.3	Very high	95.3	Very high	34 Å²	34	57.8 Å²	57.8	18%	0.178	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	153.7	176.7	-57.9	-173.8	0	0	0	112.6	I162 L186 F187 I351	I162-L164 HydrophobicContact CG2-CD2 3.74Å; I162-L164 HydrophobicContact CG2-CG 4.25Å; L164-L186 CarbonylContact C-O 3.53Å; L164-L186 WeakPolarHBondContact CA-O 3.32Å; L164-L186 HydrophobicContact CB-CD1 4.38Å; L164-L186 HydrophobicContact CD2-CD1 4.36Å; L164-L186 HydrophobicContact CD2-CG 4.23Å; L164-F187 HydrophobicContact CD2-CD1 3.76Å; L164-F187 HydrophobicContact CD2-CE1 3.64Å; L164-F187 HydrophobicContact CD2-CG 4.3Å; L164-F187 HydrophobicContact CD2-CZ 4.07Å; L164-I351 HydrophobicContact CD1-CG2 4.23Å; L164-I351 HydrophobicContact CD2-CG2 4.26Å
165	N	96.8	Very high	94.8	Very high	41 Å²	41	53.2 Å²	53.2	22%	0.219	29%	0.288	C	S	.	.			trans	-126.3	71.2	172.6	167.3	52.6	0	0	0	107.9	Q167 P185 L186 T188	N165-Q167 VanDerWaalsContact ND2-CD 3.28Å; N165-Q167 PolarHBondContact ND2-NE2 3.25Å; N165-Q167 WeakPolarHBondContact O-CG 3.34Å; N165-Q167 PolarHBondContact O-N 2.93Å; N165-Q167 PolarHBondContact O-NE2 2.96Å; N165-Q167 WeakPolarHBondContact OD1-CG 3.17Å; N165-P185 PolarHBondContact ND2-O 2.79Å; N165-L186 PolarHBondContact N-O 3.04Å; N165-T188 HydrophobicContact CB-CG2 3.46Å; N165-T188 VanDerWaalsContact CB-CG2 3.46Å
166	S	93.4	Very high	94.3	Very high	30 Å²	30	60.1 Å²	60.1	21%	0.21	31%	0.312	C	S	.	.			trans	-61.4	-14.8	-173	-38.2	0	0	0	0	114.5	N168 Y317 H320	S166-N168 PolarHBondContact O-N 2.78Å; S166-Y317 PolarHBondContact O-OH 2.89Å; S166-H320 PolarHBondContact O-CE1 2.77Å; S166-H320 PolarHBondContact O-ND1 3.25Å
167	Q	95.6	Very high	93.8	Very high	70 Å²	70	63.2 Å²	63.2	33%	0.327	33%	0.33	S	S	.	.			trans	50.6	-100.4	172.5	-71.8	168	102.7	0	0	114.7	N165 C182 K184	N165-Q167 VanDerWaalsContact ND2-CD 3.28Å; N165-Q167 PolarHBondContact ND2-NE2 3.25Å; N165-Q167 WeakPolarHBondContact O-CG 3.34Å; N165-Q167 PolarHBondContact O-N 2.93Å; N165-Q167 PolarHBondContact O-NE2 2.96Å; N165-Q167 WeakPolarHBondContact OD1-CG 3.17Å; Q167-C182 HydrophobicContact CB-CB 3.79Å; Q167-C182 WeakPolarHBondContact CB-SG 3.48Å; Q167-C182 HydrophobicContact CG-CB 4.34Å; Q167-C182 PolarHBondContact NE2-O 3.36Å; Q167-C182 PolarHBondContact OE1-O 3.18Å; Q167-K184 PolarHBondContact NE2-O 3.46Å
168	N	95.3	Very high	93.4	Very high	61 Å²	61	69 Å²	69	33%	0.326	36%	0.357	S	S	.	.			trans	-119.3	119.8	-169.3	-177	91.8	0	0	0	112.9	S166 I170 R181 C182 S319 H320	S166-N168 PolarHBondContact O-N 2.78Å; N168-I170 VanDerWaalsContact ND2-CG2 3.35Å; N168-I170 WeakPolarHBondContact ND2-CG2 3.08Å; N168-R181 HydrophobicContact CB-CB 4.26Å; N168-C182 PolarHBondContact N-SG 2.81Å; N168-C182 VanDerWaalsContact N-SG 3.37Å; N168-S319 WeakPolarHBondContact O-CB 3.12Å; N168-H320 PolarHBondContact O-N 3.21Å
169	C	94.9	Very high	93	Very high	73 Å²	73	72.7 Å²	72.7	49%	0.493	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-74.5	143.4	166.6	-168.3	0	0	0	0	111.5	H320	C169-H320 CarbonylContact C-O 3.25Å; C169-H320 WeakPolarHBondContact CA-O 3.3Å; C169-H320 VanDerWaalsContact CB-NE2 3.32Å; C169-H320 WeakPolarHBondContact CB-NE2 3.32Å; C169-H320 PolarHBondContact N-CE1 3.49Å
170	I	93.7	Very high	92.9	Very high	8 Å²	8	70.7 Å²	70.7	4%	0.041	36%	0.361	C	S	.	.			trans	-126.2	158.3	173.7	65.9	165.7	0	0	0	112.3	N168 E174 T175 S319 H320 I321 Q336	N168-I170 VanDerWaalsContact ND2-CG2 3.35Å; N168-I170 WeakPolarHBondContact ND2-CG2 3.08Å; I170-E174 HydrophobicContact CB-CB 4.33Å; I170-E174 HydrophobicContact CD1-CB 4.22Å; I170-T175 HydrophobicContact CD1-CG2 3.99Å; I170-S319 WeakPolarHBondContact CD1-OG 3.43Å; I170-H320 PolarHBondContact N-O 2.99Å; I170-I321 HydrophobicContact CD1-CG1 4.27Å; I170-I321 HydrophobicContact CG1-CG1 3.89Å; I170-Q336 HydrophobicContact CD1-CG 4.26Å
171	S	91.3	Very high	92.7	Very high	50 Å²	50	67.5 Å²	67.5	35%	0.35	34%	0.343	S	S	.	.			trans	-68	145.3	167.3	172.5	0	0	0	0	111	S173 E174	S171-S173 WeakPolarHBondContact CB-OG 3.21Å; S171-S173 PolarHBondContact O-N 2.86Å; S171-S173 PolarHBondContact OG-N 3.45Å; S171-S173 PolarHBondContact OG-OG 2.77Å; S171-E174 WeakPolarHBondContact CB-OE2 3.43Å; S171-E174 PolarHBondContact N-OE2 2.67Å; S171-E174 WeakPolarHBondContact O-CB 3.44Å; S171-E174 PolarHBondContact O-N 2.61Å
172	P	87.5	Confident	92.5	Very high	69 Å²	69	66.4 Å²	66.4	45%	0.448	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-50.1	-28.3	168.7	-26.8	33.2	0	0	0	114.1	E174 T175 I321 A411	P172-E174 VanDerWaalsContact C-N 3.29Å; P172-E174 PolarHBondContact O-N 2.62Å; P172-T175 WeakPolarHBondContact O-CB 3.45Å; P172-T175 WeakPolarHBondContact O-CG2 3.33Å; P172-T175 PolarHBondContact O-N 3.11Å; P172-T175 PolarHBondContact O-OG1 3.1Å; P172-I321 HydrophobicContact CB-CG2 4.22Å; P172-I321 HydrophobicContact CG-CG2 3.62Å; P172-A411 HydrophobicContact CG-CB 3.62Å
173	S	88.8	Confident	92.3	Very high	96 Å²	96	71 Å²	71	67%	0.671	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-68.3	-23.7	177.5	60.1	0	0	0	0	114.3	S171	S171-S173 WeakPolarHBondContact CB-OG 3.21Å; S171-S173 PolarHBondContact O-N 2.86Å; S171-S173 PolarHBondContact OG-N 3.45Å; S171-S173 PolarHBondContact OG-OG 2.77Å
174	E	89.6	Confident	92.3	Very high	60 Å²	60	72.9 Å²	72.9	28%	0.28	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-90.5	-6	-176.7	-61.4	176.5	94.9	0	0	112.3	I170 S171 P172 R176 D177 R181	I170-E174 HydrophobicContact CB-CB 4.33Å; I170-E174 HydrophobicContact CD1-CB 4.22Å; S171-E174 WeakPolarHBondContact CB-OE2 3.43Å; S171-E174 PolarHBondContact N-OE2 2.67Å; S171-E174 WeakPolarHBondContact O-CB 3.44Å; S171-E174 PolarHBondContact O-N 2.61Å; P172-E174 VanDerWaalsContact C-N 3.29Å; P172-E174 PolarHBondContact O-N 2.62Å; E174-R176 PolarHBondContact O-N 2.81Å; E174-D177 WeakPolarHBondContact O-CB 3.18Å; E174-D177 VanDerWaalsContact O-CG 3.29Å; E174-D177 PolarHBondContact O-N 3.33Å; E174-D177 VanDerWaalsContact O-N 3.12Å; E174-R181 IonicContact OE1-CZ 2.92Å; E174-R181 IonicContact OE1-NH1 3.69Å; E174-R181 PolarHBondContact OE1-NH1 2.78Å; E174-R181 IonicContact OE1-NH2 3.43Å; E174-R181 PolarHBondContact OE1-NH2 3.43Å; E174-R181 IonicContact OE2-NH1 3.65Å
175	T	87.3	Confident	92.3	Very high	12 Å²	12	74.9 Å²	74.9	7%	0.074	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.9	-173.1	54.1	0	0	0	0	115.1	I170 P172 I321 Q336 Y343 V346	I170-T175 HydrophobicContact CD1-CG2 3.99Å; P172-T175 WeakPolarHBondContact O-CB 3.45Å; P172-T175 WeakPolarHBondContact O-CG2 3.33Å; P172-T175 PolarHBondContact O-N 3.11Å; P172-T175 PolarHBondContact O-OG1 3.1Å; T175-I321 HydrophobicContact CG2-CD1 4.3Å; T175-I321 HydrophobicContact CG2-CG1 3.76Å; T175-Q336 PolarHBondContact O-NE2 3.44Å; T175-Y343 PolarHBondContact O-OH 2.76Å; T175-V346 HydrophobicContact CG2-CG2 4.07Å
176	R	87.3	Confident	92.3	Very high	182 Å²	182	72.9 Å²	72.9	69%	0.687	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-4.2	-177.9	-66.9	-177.6	174.7	162.3	6.5	114.1	E174 Q178 E345	E174-R176 PolarHBondContact O-N 2.81Å; R176-Q178 PolarHBondContact O-N 3.12Å; R176-E345 HydrophobicContact CG-CG 4.49Å; R176-E345 WeakPolarHBondContact CG-OE1 3.38Å; R176-E345 IonicContact CZ-OE1 3.74Å; R176-E345 IonicContact NE-OE1 2.75Å; R176-E345 PolarHBondContact NE-OE1 3.49Å; R176-E345 IonicContact NH2-OE1 2.71Å; R176-E345 PolarHBondContact NH2-OE1 3.08Å; R176-E345 VanDerWaalsContact NH2-OE1 3.09Å
177	D	86.9	Confident	92.6	Very high	95 Å²	95	72 Å²	72	51%	0.508	37%	0.369	S	S	.	.	S	Bend	trans	-69.3	-17.6	-178	-64.8	-10.7	0	0	0	112.8	E174 R179 R181	E174-D177 WeakPolarHBondContact O-CB 3.18Å; E174-D177 VanDerWaalsContact O-CG 3.29Å; E174-D177 PolarHBondContact O-N 3.33Å; E174-D177 VanDerWaalsContact O-N 3.12Å; D177-R179 HydrophobicContact CB-CB 4.23Å; D177-R179 PolarHBondContact O-N 2.91Å; D177-R179 VanDerWaalsContact O-N 3.1Å; D177-R181 IonicContact OD2-NH2 2.89Å; D177-R181 PolarHBondContact OD2-NH2 2.84Å; D177-R181 VanDerWaalsContact OD2-NH2 3.15Å
178	Q	89.9	Confident	92.7	Very high	122 Å²	122	72.8 Å²	72.8	57%	0.57	38%	0.378	S	S	*	.			trans	49.6	33.4	-176.4	-44.9	-164	20.3	0	0	113.4	R176 Y318 Y343	R176-Q178 PolarHBondContact O-N 3.12Å; Q178-Y318 WeakPolarHBondContact O-CE2 3.24Å; Q178-Y343 HydrophobicContact CB-CD1 4.37Å; Q178-Y343 HydrophobicContact CB-CE1 4.21Å; Q178-Y343 HydrophobicContact CB-CE2 4.42Å; Q178-Y343 HydrophobicContact CB-CG 4.5Å; Q178-Y343 HydrophobicContact CG-CD1 3.74Å; Q178-Y343 HydrophobicContact CG-CE1 3.61Å; Q178-Y343 HydrophobicContact CG-CG 4.3Å
179	R	90.5	Very high	92.8	Very high	171 Å²	171	74.9 Å²	74.9	65%	0.645	38%	0.382	S	S	*	.			trans	-108	122.3	-174.4	174.6	171.9	-179.9	-179.1	2.8	110.2	D177 R181	D177-R179 HydrophobicContact CB-CB 4.23Å; D177-R179 PolarHBondContact O-N 2.91Å; D177-R179 VanDerWaalsContact O-N 3.1Å; R179-R181 HydrophobicContact CG-CG 4.48Å; R179-R181 PolarHBondContact O-N 2.84Å
180	D	92.6	Very high	93	Very high	54 Å²	54	71.8 Å²	71.8	29%	0.289	36%	0.361	S	S	.	.			trans	-55.9	130.4	163.5	166.8	40.6	0	0	0	110.8	C182 P183 Y318	D180-C182 VanDerWaalsContact OD1-C 3.23Å; D180-C182 WeakPolarHBondContact OD1-CA 3.4Å; D180-C182 PolarHBondContact OD1-N 3.39Å; D180-P183 WeakPolarHBondContact OD2-CB 3.11Å; D180-Y318 HydrophobicContact CB-CD1 4.07Å; D180-Y318 HydrophobicContact CB-CD2 4.44Å; D180-Y318 HydrophobicContact CB-CE1 4.19Å; D180-Y318 HydrophobicContact CB-CG 4.21Å
181	R	92.9	Very high	93.2	Very high	73 Å²	73	72.8 Å²	72.8	28%	0.275	37%	0.366	S	S	.	.	S	Bend	trans	-126.5	3.5	172.1	-54	-172.6	-173.7	-162.2	-0.2	111.9	N168 E174 D177 R179 Y318	N168-R181 HydrophobicContact CB-CB 4.26Å; E174-R181 IonicContact OE1-CZ 2.92Å; E174-R181 IonicContact OE1-NH1 3.69Å; E174-R181 PolarHBondContact OE1-NH1 2.78Å; E174-R181 IonicContact OE1-NH2 3.43Å; E174-R181 PolarHBondContact OE1-NH2 3.43Å; E174-R181 IonicContact OE2-NH1 3.65Å; D177-R181 IonicContact OD2-NH2 2.89Å; D177-R181 PolarHBondContact OD2-NH2 2.84Å; D177-R181 VanDerWaalsContact OD2-NH2 3.15Å; R179-R181 HydrophobicContact CG-CG 4.48Å; R179-R181 PolarHBondContact O-N 2.84Å; R181-Y318 PolarHBondContact N-O 3.21Å
182	C	94.9	Very high	93.6	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.367	C	S	.	.			trans	-138.9	61.1	-169.7	-60.5	0	0	0	0	111.2	Q167 N168 D180 K184 Y317 Y318	Q167-C182 HydrophobicContact CB-CB 3.79Å; Q167-C182 WeakPolarHBondContact CB-SG 3.48Å; Q167-C182 HydrophobicContact CG-CB 4.34Å; Q167-C182 PolarHBondContact NE2-O 3.36Å; Q167-C182 PolarHBondContact OE1-O 3.18Å; N168-C182 PolarHBondContact N-SG 2.81Å; N168-C182 VanDerWaalsContact N-SG 3.37Å; D180-C182 VanDerWaalsContact OD1-C 3.23Å; D180-C182 WeakPolarHBondContact OD1-CA 3.4Å; D180-C182 PolarHBondContact OD1-N 3.39Å; C182-K184 PolarHBondContact O-N 2.93Å; C182-K184 VanDerWaalsContact O-O 3.05Å; C182-Y317 HydrophobicContact CB-CD1 3.54Å; C182-Y317 HydrophobicContact CB-CE1 3.57Å; C182-Y317 WeakPolarHBondContact CB-O 3.32Å; C182-Y317 VanDerWaalsContact O-O 3.1Å; C182-Y318 WeakPolarHBondContact CB-O 3.16Å; C182-Y318 PolarHBondContact N-O 3Å; C182-Y318 PolarHBondContact SG-O 3.42Å
183	P	93.4	Very high	94.1	Very high	99 Å²	99	78.4 Å²	78.4	64%	0.643	38%	0.378	S	S	*	.			trans	-73.1	41.1	-168.2	32.5	-40.1	0	0	0	115	D180	D180-P183 WeakPolarHBondContact OD2-CB 3.11Å
184	K	97.4	Very high	94.5	Very high	130 Å²	130	74 Å²	74	57%	0.565	35%	0.347	S	S	*	.	S	Bend	trans	-148.6	151.1	175.6	-59.2	176.4	-178.7	174.5	0	108.1	Q167 C182	Q167-K184 PolarHBondContact NE2-O 3.46Å; C182-K184 PolarHBondContact O-N 2.93Å; C182-K184 VanDerWaalsContact O-O 3.05Å
185	P	97.5	Very high	94.9	Very high	76 Å²	76	72.4 Å²	72.4	49%	0.494	34%	0.339	S	S	.	.			trans	-49.1	142.4	172.3	-29.5	36.5	0	0	0	113.5	N165 E310	N165-P185 PolarHBondContact ND2-O 2.79Å; P185-E310 WeakPolarHBondContact CA-OE1 3.39Å; P185-E310 HydrophobicContact CB-CG 4.11Å
186	L	98.3	Very high	95.4	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	37%	0.37	C	S	.	.	S	Bend	trans	-66.4	-44.2	169.3	174.6	59.7	0	0	0	110.4	L164 N165 T188 F306 E310 Y317 L333 M335	L164-L186 CarbonylContact C-O 3.53Å; L164-L186 WeakPolarHBondContact CA-O 3.32Å; L164-L186 HydrophobicContact CB-CD1 4.38Å; L164-L186 HydrophobicContact CD2-CD1 4.36Å; L164-L186 HydrophobicContact CD2-CG 4.23Å; N165-L186 PolarHBondContact N-O 3.04Å; L186-T188 PolarHBondContact O-N 3.48Å; L186-F306 HydrophobicContact CB-CE1 4.24Å; L186-F306 HydrophobicContact CD2-CE1 3.95Å; L186-F306 HydrophobicContact CD2-CZ 4.21Å; L186-E310 WeakPolarHBondContact CB-OE1 3.35Å; L186-E310 VanDerWaalsContact N-CD 3.34Å; L186-E310 PolarHBondContact N-OE1 3.04Å; L186-E310 PolarHBondContact N-OE2 3.16Å; L186-Y317 HydrophobicContact CB-CD1 4.04Å; L186-Y317 HydrophobicContact CB-CD2 4.11Å; L186-Y317 HydrophobicContact CB-CG 3.79Å; L186-Y317 HydrophobicContact CD1-CD2 4.48Å; L186-Y317 HydrophobicContact CD1-CE1 4.2Å; L186-Y317 HydrophobicContact CD1-CE2 4.16Å; L186-Y317 HydrophobicContact CD2-CD2 3.93Å; L186-Y317 HydrophobicContact CD2-CE2 4.07Å; L186-Y317 HydrophobicContact CD2-CG 4.47Å; L186-Y317 HydrophobicContact CG-CD2 4.4Å; L186-L333 HydrophobicContact CD1-CD2 3.99Å; L186-L333 HydrophobicContact CD2-CD2 3.67Å; L186-L333 HydrophobicContact CG-CD2 4.48Å; L186-M335 HydrophobicContact CD2-CE 4.41Å; L186-M335 HydrophobicContact CD2-SD 3.84Å
187	F	98.4	Very high	95.9	Very high	12 Å²	12	70.4 Å²	70.4	5%	0.053	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	96.6	-179	-70	-91.3	0	0	0	111.6	I162 L164 V190 W303 F306 Y307 E310 I351	I162-F187 HydrophobicContact CG2-CD1 3.84Å; I162-F187 HydrophobicContact CG2-CE1 3.81Å; L164-F187 HydrophobicContact CD2-CD1 3.76Å; L164-F187 HydrophobicContact CD2-CE1 3.64Å; L164-F187 HydrophobicContact CD2-CG 4.3Å; L164-F187 HydrophobicContact CD2-CZ 4.07Å; F187-V190 HydrophobicContact CB-CG2 4.31Å; F187-V190 HydrophobicContact CD1-CG2 3.59Å; F187-V190 HydrophobicContact CE1-CG2 4.35Å; F187-V190 HydrophobicContact CG-CG2 4.32Å; F187-W303 HydrophobicContact CE1-CE3 4.02Å; F187-W303 HydrophobicContact CZ-CB 4.16Å; F187-W303 HydrophobicContact CZ-CE3 4.31Å; F187-F306 AromaticContact CD2-CD1 3.93Å; F187-F306 HydrophobicContact CD2-CD1 3.93Å; F187-F306 HydrophobicContact CD2-CE1 4.31Å; F187-F306 AromaticContact CE2-CD1 3.57Å; F187-F306 HydrophobicContact CE2-CD1 3.57Å; F187-F306 HydrophobicContact CE2-CE1 4.17Å; F187-F306 HydrophobicContact CE2-CG 4.32Å; F187-Y307 HydrophobicContact CB-CD2 3.5Å; F187-Y307 VanDerWaalsContact CB-CD2 3.5Å; F187-Y307 HydrophobicContact CB-CE2 3.91Å; F187-Y307 HydrophobicContact CD1-CD2 4.06Å; F187-Y307 HydrophobicContact CD2-CD2 4.27Å; F187-Y307 AromaticContact CG-CD2 3.69Å; F187-Y307 HydrophobicContact CG-CD2 3.69Å; F187-Y307 HydrophobicContact CG-CG 4.48Å; F187-E310 WeakPolarHBondContact CB-OE2 3.33Å; F187-E310 WeakPolarHBondContact CD2-OE2 3.45Å; F187-E310 PolarHBondContact N-OE2 3.15Å; F187-I351 HydrophobicContact CE1-CG2 4.23Å; F187-I351 HydrophobicContact CZ-CD1 4.38Å; F187-I351 HydrophobicContact CZ-CG2 4.33Å
188	T	97.8	Very high	96.5	Very high	85 Å²	85	69.6 Å²	69.6	52%	0.521	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-22.4	176.3	60.5	0	0	0	0	113.7	I163 N165 L186	I163-T188 WeakPolarHBondContact CG2-OG1 3.16Å; I163-T188 PolarHBondContact O-N 3.15Å; I163-T188 PolarHBondContact O-OG1 3.35Å; N165-T188 HydrophobicContact CB-CG2 3.46Å; N165-T188 VanDerWaalsContact CB-CG2 3.46Å; L186-T188 PolarHBondContact O-N 3.48Å
189	Y	98.4	Very high	96.9	Very high	106 Å²	106	64 Å²	64	42%	0.416	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	141	172.8	173.7	-100.6	0	0	0	110.4	I162 I163 N191	I162-Y189 WeakPolarHBondContact CA-O 3.26Å; I163-Y189 HydrophobicContact CD1-CD1 4.17Å; I163-Y189 HydrophobicContact CD1-CG 4.42Å; I163-Y189 HydrophobicContact CG1-CD1 4.12Å; I163-Y189 PolarHBondContact N-O 3.47Å; I163-Y189 PolarHBondContact O-N 3.03Å; Y189-N191 HydrophobicContact CE1-CB 4.06Å
190	V	98.6	Very high	97.3	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.5	164.4	177	0	0	0	0	108.4	D161 I162 F187 E192 F195 W303 Y307	D161-V190 CarbonylContact O-C 3.59Å; D161-V190 WeakPolarHBondContact O-CA 3.41Å; I162-V190 HydrophobicContact CG1-CG1 4.43Å; I162-V190 HydrophobicContact CG1-CG2 4.35Å; I162-V190 HydrophobicContact CG2-CG2 4.46Å; F187-V190 HydrophobicContact CB-CG2 4.31Å; F187-V190 HydrophobicContact CD1-CG2 3.59Å; F187-V190 HydrophobicContact CE1-CG2 4.35Å; F187-V190 HydrophobicContact CG-CG2 4.32Å; V190-E192 PolarHBondContact O-N 3.2Å; V190-E192 VanDerWaalsContact O-N 3.07Å; V190-F195 HydrophobicContact CG1-CE2 4.48Å; V190-F195 HydrophobicContact CG1-CZ 3.88Å; V190-W303 HydrophobicContact CG1-CH2 4.49Å; V190-W303 HydrophobicContact CG1-CZ3 4.13Å; V190-Y307 HydrophobicContact CB-CD1 4.41Å; V190-Y307 HydrophobicContact CB-CD2 4.3Å; V190-Y307 HydrophobicContact CB-CE1 4.02Å; V190-Y307 HydrophobicContact CB-CE2 3.9Å; V190-Y307 HydrophobicContact CG1-CE1 4.35Å; V190-Y307 HydrophobicContact CG2-CD1 4.26Å; V190-Y307 HydrophobicContact CG2-CD2 3.51Å; V190-Y307 HydrophobicContact CG2-CE1 4.25Å; V190-Y307 HydrophobicContact CG2-CE2 3.49Å; V190-Y307 VanDerWaalsContact CG2-CE2 3.49Å; V190-Y307 HydrophobicContact CG2-CG 3.9Å
191	N	98.6	Very high	97.6	Very high	30 Å²	30	55 Å²	55	16%	0.16	29%	0.291	C	S	.	.			trans	-77.2	87.5	172.5	-177.5	13.3	0	0	0	109.8	D161 Y189 K193 L194	D161-N191 HydrophobicContact CB-CB 4Å; D161-N191 PolarHBondContact O-N 2.69Å; D161-N191 WeakPolarHBondContact OD1-CB 3.38Å; D161-N191 PolarHBondContact OD1-ND2 2.63Å; Y189-N191 HydrophobicContact CE1-CB 4.06Å; N191-K193 PolarHBondContact O-N 3.21Å; N191-K193 WeakPolarHBondContact OD1-CB 3.44Å; N191-K193 WeakPolarHBondContact OD1-CD 3.41Å; N191-K193 WeakPolarHBondContact OD1-CG 3.27Å; N191-L194 WeakPolarHBondContact O-CB 3.45Å; N191-L194 WeakPolarHBondContact O-CG 3.41Å; N191-L194 PolarHBondContact O-N 3.27Å
192	E	98.2	Very high	97.8	Very high	77 Å²	77	52 Å²	52	36%	0.36	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-59.2	-7.2	-176.5	-53.8	-159.2	112.6	0	0	114.6	V190 L194 F195 Y307 K311	V190-E192 PolarHBondContact O-N 3.2Å; V190-E192 VanDerWaalsContact O-N 3.07Å; E192-L194 PolarHBondContact O-N 3.37Å; E192-F195 HydrophobicContact CB-CD2 3.79Å; E192-F195 HydrophobicContact CB-CE2 4.03Å; E192-F195 HydrophobicContact CG-CD2 4.12Å; E192-F195 HydrophobicContact CG-CE2 3.86Å; E192-F195 WeakPolarHBondContact O-CB 3.49Å; E192-F195 PolarHBondContact O-N 2.79Å; E192-Y307 HydrophobicContact CG-CE1 4.48Å; E192-Y307 WeakPolarHBondContact OE1-CE1 3.49Å; E192-K311 IonicContact OE1-NZ 2.63Å; E192-K311 PolarHBondContact OE1-NZ 3.35Å; E192-K311 IonicContact OE2-NZ 2.69Å; E192-K311 PolarHBondContact OE2-NZ 3.05Å
193	K	98.1	Very high	98	Very high	159 Å²	159	52 Å²	52	69%	0.691	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24.2	166	-62.4	175.2	-174.8	167.4	0	112.7	N191 F195 S196	N191-K193 PolarHBondContact O-N 3.21Å; N191-K193 WeakPolarHBondContact OD1-CB 3.44Å; N191-K193 WeakPolarHBondContact OD1-CD 3.41Å; N191-K193 WeakPolarHBondContact OD1-CG 3.27Å; K193-F195 PolarHBondContact O-N 3.44Å; K193-S196 WeakPolarHBondContact O-CB 3.31Å; K193-S196 PolarHBondContact O-N 3.27Å; K193-S196 VanDerWaalsContact O-N 3.14Å
194	L	97.8	Very high	98.2	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-54.6	-40.1	168	-68.7	179.4	0	0	0	111.2	A157 D161 N191 E192 S196 K197 Y200 W303	A157-L194 HydrophobicContact CB-CD1 3.77Å; D161-L194 HydrophobicContact CB-CD1 4.03Å; N191-L194 WeakPolarHBondContact O-CB 3.45Å; N191-L194 WeakPolarHBondContact O-CG 3.41Å; N191-L194 PolarHBondContact O-N 3.27Å; E192-L194 PolarHBondContact O-N 3.37Å; L194-S196 PolarHBondContact O-N 3.39Å; L194-K197 HydrophobicContact CD2-CD 4.32Å; L194-K197 VanDerWaalsContact CD2-NZ 3.35Å; L194-K197 VanDerWaalsContact O-CB 3.24Å; L194-K197 WeakPolarHBondContact O-CB 3.5Å; L194-K197 VanDerWaalsContact O-CG 3.32Å; L194-K197 WeakPolarHBondContact O-CG 3.46Å; L194-K197 PolarHBondContact O-N 3.32Å; L194-Y200 HydrophobicContact CB-CE1 4.41Å; L194-Y200 WeakPolarHBondContact O-CB 3.49Å; L194-W303 HydrophobicContact CD1-CH2 4.08Å
195	F	98.2	Very high	98.1	Very high	27 Å²	27	45.8 Å²	45.8	12%	0.118	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-71.8	-11.5	-178.5	-49.8	-29.1	0	0	0	113.6	V190 E192 K193 K197 Y200 I204 W303 I304 Y307 L308	V190-F195 HydrophobicContact CG1-CE2 4.48Å; V190-F195 HydrophobicContact CG1-CZ 3.88Å; E192-F195 HydrophobicContact CB-CD2 3.79Å; E192-F195 HydrophobicContact CB-CE2 4.03Å; E192-F195 HydrophobicContact CG-CD2 4.12Å; E192-F195 HydrophobicContact CG-CE2 3.86Å; E192-F195 WeakPolarHBondContact O-CB 3.49Å; E192-F195 PolarHBondContact O-N 2.79Å; K193-F195 PolarHBondContact O-N 3.44Å; F195-K197 VanDerWaalsContact C-N 3.35Å; F195-Y200 AromaticContact CD1-CD1 3.9Å; F195-Y200 HydrophobicContact CD1-CD1 3.9Å; F195-Y200 HydrophobicContact CE1-CD1 4.33Å; F195-I204 HydrophobicContact CB-CD1 3.67Å; F195-I204 HydrophobicContact CD1-CD1 3.69Å; F195-I204 HydrophobicContact CD2-CD1 4.28Å; F195-I204 HydrophobicContact CE1-CD1 4.41Å; F195-I204 HydrophobicContact CG-CD1 3.62Å; F195-W303 HydrophobicContact CE1-CH2 4.15Å; F195-W303 HydrophobicContact CE1-CZ3 4.37Å; F195-I304 HydrophobicContact CE1-CG2 4.09Å; F195-Y307 AromaticContact CE2-CD1 3.94Å; F195-Y307 HydrophobicContact CE2-CD1 3.94Å; F195-Y307 AromaticContact CE2-CE1 3.81Å; F195-Y307 HydrophobicContact CE2-CE1 3.81Å; F195-Y307 AromaticContact CZ-CD1 3.7Å; F195-Y307 HydrophobicContact CZ-CD1 3.7Å; F195-Y307 AromaticContact CZ-CE1 3.98Å; F195-Y307 HydrophobicContact CZ-CE1 3.98Å; F195-L308 HydrophobicContact CE2-CD2 4.48Å
196	S	97.9	Very high	98	Very high	102 Å²	102	42.2 Å²	42.2	71%	0.713	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-83.8	-6	169.5	-54.7	0	0	0	0	113.4	K193 L194	K193-S196 WeakPolarHBondContact O-CB 3.31Å; K193-S196 PolarHBondContact O-N 3.27Å; K193-S196 VanDerWaalsContact O-N 3.14Å; L194-S196 PolarHBondContact O-N 3.39Å
197	K	98.4	Very high	97.7	Very high	51 Å²	51	42.2 Å²	42.2	22%	0.222	23%	0.226	C	C	.	.	S	Bend	trans	-71.2	139.7	171.2	-63.1	177.7	-178.7	-176.8	0	109.1	N155 K156 L194 F195 T199 Y200 A201	N155-K197 HydrophobicContact CB-CD 4.39Å; N155-K197 WeakPolarHBondContact O-CD 3.23Å; N155-K197 PolarHBondContact O-NZ 3.16Å; K156-K197 PolarHBondContact O-NZ 3.09Å; L194-K197 HydrophobicContact CD2-CD 4.32Å; L194-K197 VanDerWaalsContact CD2-NZ 3.35Å; L194-K197 VanDerWaalsContact O-CB 3.24Å; L194-K197 WeakPolarHBondContact O-CB 3.5Å; L194-K197 VanDerWaalsContact O-CG 3.32Å; L194-K197 WeakPolarHBondContact O-CG 3.46Å; L194-K197 PolarHBondContact O-N 3.32Å; F195-K197 VanDerWaalsContact C-N 3.35Å; K197-T199 VanDerWaalsContact C-N 3.33Å; K197-T199 PolarHBondContact O-N 3.15Å; K197-Y200 HydrophobicContact CB-CD2 3.89Å; K197-Y200 HydrophobicContact CD-CD2 4.14Å; K197-Y200 HydrophobicContact CD-CE2 4.06Å; K197-Y200 PolarHBondContact O-N 3.45Å; K197-Y200 VanDerWaalsContact O-N 3.16Å; K197-A201 PolarHBondContact O-N 2.97Å
198	P	98.6	Very high	97.1	Very high	77 Å²	77	47 Å²	47	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-55.2	-39.4	-171.6	-29.5	35.7	0	0	0	115.6	A202 E234	P198-A202 WeakPolarHBondContact O-CB 3.44Å; P198-A202 PolarHBondContact O-N 3.14Å; P198-E234 HydrophobicContact CB-CB 4.46Å; P198-E234 HydrophobicContact CB-CG 4.11Å; P198-E234 WeakPolarHBondContact CB-OE2 3.42Å
199	T	98.6	Very high	96.5	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-71.3	-39.3	-179.5	56.1	0	0	0	0	112.6	K197 F203 E234 I235 T238 E356	K197-T199 VanDerWaalsContact C-N 3.33Å; K197-T199 PolarHBondContact O-N 3.15Å; T199-F203 WeakPolarHBondContact O-CB 3.42Å; T199-F203 PolarHBondContact O-N 3.06Å; T199-E234 HydrophobicContact CG2-CB 4.04Å; T199-I235 HydrophobicContact CG2-CG2 3.95Å; T199-T238 HydrophobicContact CG2-CG2 3.88Å; T199-E356 WeakPolarHBondContact CB-OE2 3.47Å; T199-E356 PolarHBondContact OG1-OE1 3.2Å; T199-E356 PolarHBondContact OG1-OE2 3.19Å
200	Y	98.7	Very high	95.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-45.4	172.6	-74.3	-102.7	0	0	0	111.7	N155 L194 F195 K197 A202 F203 I204 W303 I304 S353 S354 P355	N155-Y200 HydrophobicContact CB-CE2 4.32Å; N155-Y200 VanDerWaalsContact O-CE2 3.23Å; N155-Y200 WeakPolarHBondContact O-CE2 3.36Å; N155-Y200 PolarHBondContact O-OH 2.88Å; L194-Y200 HydrophobicContact CB-CE1 4.41Å; L194-Y200 WeakPolarHBondContact O-CB 3.49Å; F195-Y200 AromaticContact CD1-CD1 3.9Å; F195-Y200 HydrophobicContact CD1-CD1 3.9Å; F195-Y200 HydrophobicContact CE1-CD1 4.33Å; K197-Y200 HydrophobicContact CB-CD2 3.89Å; K197-Y200 HydrophobicContact CD-CD2 4.14Å; K197-Y200 HydrophobicContact CD-CE2 4.06Å; K197-Y200 PolarHBondContact O-N 3.45Å; K197-Y200 VanDerWaalsContact O-N 3.16Å; Y200-A202 PolarHBondContact O-N 3.45Å; Y200-F203 PolarHBondContact O-N 3.2Å; Y200-I204 WeakPolarHBondContact O-CB 3.27Å; Y200-I204 VanDerWaalsContact O-CG1 3.28Å; Y200-I204 WeakPolarHBondContact O-CG1 3.38Å; Y200-I204 PolarHBondContact O-N 3.15Å; Y200-W303 HydrophobicContact CE1-CH2 4.27Å; Y200-W303 AromaticContact CE1-CZ2 3.78Å; Y200-W303 HydrophobicContact CE1-CZ2 3.78Å; Y200-I304 HydrophobicContact CD1-CD1 3.57Å; Y200-I304 HydrophobicContact CD1-CG1 4.36Å; Y200-I304 HydrophobicContact CE1-CD1 3.62Å; Y200-I304 HydrophobicContact CE1-CG1 4.24Å; Y200-S353 PolarHBondContact OH-O 3.28Å; Y200-S354 WeakPolarHBondContact OH-CA 3.05Å; Y200-P355 HydrophobicContact CD1-CG 4.32Å; Y200-P355 HydrophobicContact CD2-CG 4.44Å; Y200-P355 HydrophobicContact CG-CG 4.22Å
201	A	98.4	Very high	94.5	Very high	37 Å²	37	47.5 Å²	47.5	31%	0.306	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-46.5	178.4	0	0	0	0	0	111.6	K197 I204 N205	K197-A201 PolarHBondContact O-N 2.97Å; A201-I204 PolarHBondContact O-N 2.94Å; A201-N205 VanDerWaalsContact O-CG 3.31Å; A201-N205 PolarHBondContact O-N 3.22Å; A201-N205 VanDerWaalsContact O-N 3.09Å; A201-N205 PolarHBondContact O-OD1 3.17Å
202	A	98.4	Very high	93.3	Very high	10 Å²	10	49.8 Å²	49.8	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-36.8	177.3	0	0	0	0	0	112.8	P198 Y200 L206 F231 E234	P198-A202 WeakPolarHBondContact O-CB 3.44Å; P198-A202 PolarHBondContact O-N 3.14Å; Y200-A202 PolarHBondContact O-N 3.45Å; A202-L206 PolarHBondContact O-N 2.81Å; A202-F231 HydrophobicContact CB-CB 4.12Å; A202-F231 HydrophobicContact CB-CD2 4.29Å; A202-E234 HydrophobicContact CB-CG 4.35Å
203	F	98.4	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.9	-40.7	175.9	-177.9	-101.3	0	0	0	112.9	T199 Y200 L206 L207 F231 F284 F288 N302 I304 P355	T199-F203 WeakPolarHBondContact O-CB 3.42Å; T199-F203 PolarHBondContact O-N 3.06Å; Y200-F203 PolarHBondContact O-N 3.2Å; F203-L206 WeakPolarHBondContact O-CB 3.37Å; F203-L206 PolarHBondContact O-N 3.2Å; F203-L207 HydrophobicContact CD1-CD1 3.98Å; F203-L207 HydrophobicContact CD1-CG 4.36Å; F203-L207 HydrophobicContact CE1-CD1 3.65Å; F203-L207 HydrophobicContact CE1-CD2 4.46Å; F203-L207 HydrophobicContact CE1-CG 4.13Å; F203-L207 HydrophobicContact CZ-CD1 4.43Å; F203-L207 HydrophobicContact CZ-CD2 4.47Å; F203-L207 PolarHBondContact O-N 2.89Å; F203-L207 VanDerWaalsContact O-N 3.08Å; F203-F231 HydrophobicContact CB-CD2 3.98Å; F203-F231 HydrophobicContact CB-CE2 3.79Å; F203-F231 HydrophobicContact CD2-CD2 4.43Å; F203-F231 AromaticContact CD2-CE2 3.74Å; F203-F231 HydrophobicContact CD2-CE2 3.74Å; F203-F231 AromaticContact CD2-CZ 3.95Å; F203-F231 HydrophobicContact CD2-CZ 3.95Å; F203-F231 HydrophobicContact CG-CE2 4.24Å; F203-F284 AromaticContact CD2-CE2 3.7Å; F203-F284 HydrophobicContact CD2-CE2 3.7Å; F203-F284 AromaticContact CD2-CZ 3.74Å; F203-F284 HydrophobicContact CD2-CZ 3.74Å; F203-F284 AromaticContact CE2-CE2 3.52Å; F203-F284 HydrophobicContact CE2-CE2 3.52Å; F203-F284 AromaticContact CE2-CZ 3.6Å; F203-F284 HydrophobicContact CE2-CZ 3.6Å; F203-F284 HydrophobicContact CZ-CZ 4.39Å; F203-F288 HydrophobicContact CE2-CB 3.99Å; F203-F288 AromaticContact CE2-CD1 3.75Å; F203-F288 HydrophobicContact CE2-CD1 3.75Å; F203-F288 HydrophobicContact CE2-CD2 4.34Å; F203-F288 HydrophobicContact CE2-CE1 4.32Å; F203-F288 AromaticContact CE2-CG 3.77Å; F203-F288 HydrophobicContact CE2-CG 3.77Å; F203-F288 HydrophobicContact CZ-CB 3.79Å; F203-F288 AromaticContact CZ-CD1 3.62Å; F203-F288 HydrophobicContact CZ-CD1 3.62Å; F203-F288 HydrophobicContact CZ-CE1 4.44Å; F203-F288 AromaticContact CZ-CG 3.86Å; F203-F288 HydrophobicContact CZ-CG 3.86Å; F203-N302 WeakPolarHBondContact CE1-OD1 3.34Å; F203-I304 HydrophobicContact CD1-CD1 3.82Å; F203-I304 HydrophobicContact CE1-CB 4.16Å; F203-I304 HydrophobicContact CE1-CD1 3.84Å; F203-P355 HydrophobicContact CB-CB 3.82Å; F203-P355 HydrophobicContact CB-CG 3.68Å; F203-P355 HydrophobicContact CD1-CB 4.29Å; F203-P355 HydrophobicContact CD1-CG 3.97Å; F203-P355 HydrophobicContact CD2-CB 3.73Å; F203-P355 HydrophobicContact CD2-CG 4.28Å; F203-P355 HydrophobicContact CE2-CB 4.31Å; F203-P355 HydrophobicContact CG-CB 3.7Å; F203-P355 HydrophobicContact CG-CG 3.74Å
204	I	97.4	Very high	89.8	Confident	25 Å²	25	43.4 Å²	43.4	13%	0.128	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-37.6	177.8	-70.3	165.9	0	0	0	110.8	F195 Y200 A201 L206 L207 N208 I304 L308	F195-I204 HydrophobicContact CB-CD1 3.67Å; F195-I204 HydrophobicContact CD1-CD1 3.69Å; F195-I204 HydrophobicContact CD2-CD1 4.28Å; F195-I204 HydrophobicContact CE1-CD1 4.41Å; F195-I204 HydrophobicContact CG-CD1 3.62Å; Y200-I204 WeakPolarHBondContact O-CB 3.27Å; Y200-I204 VanDerWaalsContact O-CG1 3.28Å; Y200-I204 WeakPolarHBondContact O-CG1 3.38Å; Y200-I204 PolarHBondContact O-N 3.15Å; A201-I204 PolarHBondContact O-N 2.94Å; I204-L206 VanDerWaalsContact C-N 3.33Å; I204-L206 PolarHBondContact O-N 3.21Å; I204-L207 PolarHBondContact O-N 3.38Å; I204-N208 VanDerWaalsContact O-CG 3.27Å; I204-N208 PolarHBondContact O-N 3.14Å; I204-N208 PolarHBondContact O-ND2 3.44Å; I204-I304 HydrophobicContact CD1-CG2 3.96Å; I204-I304 HydrophobicContact CG1-CG2 3.8Å; I204-L308 HydrophobicContact CG1-CD1 4.23Å; I204-L308 HydrophobicContact CG2-CD1 4.23Å
205	N	95.4	Very high	87.6	Confident	73 Å²	73	44.5 Å²	44.5	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-56.7	-47.2	171.7	-70.8	-2.3	0	0	0	111.3	A201 L207 N208 N209	A201-N205 VanDerWaalsContact O-CG 3.31Å; A201-N205 PolarHBondContact O-N 3.22Å; A201-N205 VanDerWaalsContact O-N 3.09Å; A201-N205 PolarHBondContact O-OD1 3.17Å; N205-L207 PolarHBondContact O-N 2.78Å; N205-N208 WeakPolarHBondContact O-CB 3.39Å; N205-N208 PolarHBondContact O-N 3.08Å; N205-N208 VanDerWaalsContact O-N 3.15Å; N205-N209 PolarHBondContact O-ND2 3.31Å
206	L	94.6	Very high	85.7	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-46.3	174.8	-71.1	176.3	0	0	0	112.7	A202 F203 I204 N208 N209 Y210 E227 Q228 F231 F269 F284	A202-L206 PolarHBondContact O-N 2.81Å; F203-L206 WeakPolarHBondContact O-CB 3.37Å; F203-L206 PolarHBondContact O-N 3.2Å; I204-L206 VanDerWaalsContact C-N 3.33Å; I204-L206 PolarHBondContact O-N 3.21Å; L206-N208 PolarHBondContact O-N 3.47Å; L206-N209 WeakPolarHBondContact O-CB 3.46Å; L206-N209 PolarHBondContact O-N 2.89Å; L206-N209 VanDerWaalsContact O-N 3.14Å; L206-Y210 WeakPolarHBondContact O-CD2 3.24Å; L206-Y210 WeakPolarHBondContact O-CE2 3.47Å; L206-E227 HydrophobicContact CD2-CB 4.18Å; L206-Q228 HydrophobicContact CD2-CB 4.38Å; L206-Q228 HydrophobicContact CD2-CG 3.75Å; L206-F231 HydrophobicContact CD1-CB 3.52Å; L206-F231 HydrophobicContact CD1-CD1 3.75Å; L206-F231 HydrophobicContact CD1-CD2 4.27Å; L206-F231 HydrophobicContact CD1-CG 3.57Å; L206-F231 HydrophobicContact CG-CB 4.32Å; L206-F269 HydrophobicContact CD1-CE1 3.8Å; L206-F269 HydrophobicContact CD1-CZ 3.71Å; L206-F269 HydrophobicContact CD2-CE1 4.33Å; L206-F284 HydrophobicContact CB-CE1 3.68Å; L206-F284 HydrophobicContact CB-CE2 4.48Å; L206-F284 HydrophobicContact CB-CZ 3.6Å; L206-F284 HydrophobicContact CD1-CD2 4.38Å; L206-F284 HydrophobicContact CD1-CE1 4.28Å; L206-F284 HydrophobicContact CD1-CE2 3.75Å; L206-F284 HydrophobicContact CD1-CZ 3.71Å; L206-F284 HydrophobicContact CG-CZ 4.32Å
207	L	92.9	Very high	83.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-31.6	179.1	-69.4	178	0	0	0	113.1	F203 I204 N205 N209 F284 F288 R305	F203-L207 HydrophobicContact CD1-CD1 3.98Å; F203-L207 HydrophobicContact CD1-CG 4.36Å; F203-L207 HydrophobicContact CE1-CD1 3.65Å; F203-L207 HydrophobicContact CE1-CD2 4.46Å; F203-L207 HydrophobicContact CE1-CG 4.13Å; F203-L207 HydrophobicContact CZ-CD1 4.43Å; F203-L207 HydrophobicContact CZ-CD2 4.47Å; F203-L207 PolarHBondContact O-N 2.89Å; F203-L207 VanDerWaalsContact O-N 3.08Å; I204-L207 PolarHBondContact O-N 3.38Å; N205-L207 PolarHBondContact O-N 2.78Å; L207-N209 VanDerWaalsContact C-N 3.26Å; L207-N209 PolarHBondContact O-N 3.32Å; L207-F284 HydrophobicContact CD2-CE1 4.25Å; L207-F284 HydrophobicContact CD2-CZ 4.42Å; L207-F288 HydrophobicContact CD2-CB 4.33Å; L207-R305 HydrophobicContact CD1-CB 3.98Å; L207-R305 HydrophobicContact CD2-CB 4.3Å; L207-R305 HydrophobicContact CD2-CG 4.49Å; L207-R305 PolarHBondContact O-NH1 3.08Å
208	N	86.3	Confident	82.3	Confident	113 Å²	113	45.7 Å²	45.7	60%	0.604	26%	0.26	S	S	*	.	H	α-helix	trans	-71.7	-18.7	-179.5	-63.7	-30.5	0	0	0	113.7	I204 N205 L206	I204-N208 VanDerWaalsContact O-CG 3.27Å; I204-N208 PolarHBondContact O-N 3.14Å; I204-N208 PolarHBondContact O-ND2 3.44Å; N205-N208 WeakPolarHBondContact O-CB 3.39Å; N205-N208 PolarHBondContact O-N 3.08Å; N205-N208 VanDerWaalsContact O-N 3.15Å; L206-N208 PolarHBondContact O-N 3.47Å
209	N	84.4	Confident	80.9	Confident	39 Å²	39	50.4 Å²	50.4	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-82	-26.8	-178.5	-57.9	-32.4	0	0	0	112.1	N205 L206 L207 E224 E227	N205-N209 PolarHBondContact O-ND2 3.31Å; L206-N209 WeakPolarHBondContact O-CB 3.46Å; L206-N209 PolarHBondContact O-N 2.89Å; L206-N209 VanDerWaalsContact O-N 3.14Å; L207-N209 VanDerWaalsContact C-N 3.26Å; L207-N209 PolarHBondContact O-N 3.32Å; N209-E224 HydrophobicContact CB-CG 4.04Å; N209-E227 PolarHBondContact ND2-OE2 3.16Å
210	Y	81.7	Confident	80	Confident	7 Å²	7	51.7 Å²	51.7	3%	0.027	28%	0.281	C	S	.	.			trans	-88	127.5	-173.3	-66.2	-68.5	0	0	0	113.2	L206 E218 F220 F284 E285 S289	L206-Y210 WeakPolarHBondContact O-CD2 3.24Å; L206-Y210 WeakPolarHBondContact O-CE2 3.47Å; Y210-E218 VanDerWaalsContact CD1-OE1 3.24Å; Y210-E218 WeakPolarHBondContact CD1-OE1 3.47Å; Y210-E218 WeakPolarHBondContact CE1-OE1 3.32Å; Y210-F220 HydrophobicContact CD1-CE1 4.44Å; Y210-F220 AromaticContact CE1-CE1 3.59Å; Y210-F220 HydrophobicContact CE1-CE1 3.59Å; Y210-F220 AromaticContact CE1-CZ 3.67Å; Y210-F220 HydrophobicContact CE1-CZ 3.67Å; Y210-F284 HydrophobicContact CD2-CD1 4.04Å; Y210-F284 HydrophobicContact CD2-CE1 4.01Å; Y210-F284 AromaticContact CE2-CD1 3.38Å; Y210-F284 HydrophobicContact CE2-CD1 3.38Å; Y210-F284 AromaticContact CE2-CE1 3.6Å; Y210-F284 HydrophobicContact CE2-CE1 3.6Å; Y210-F284 AromaticContact CZ-CD1 3.98Å; Y210-E285 HydrophobicContact CD1-CB 3.59Å; Y210-E285 HydrophobicContact CD1-CG 3.58Å; Y210-E285 HydrophobicContact CE1-CB 3.65Å; Y210-E285 HydrophobicContact CE1-CG 4.13Å; Y210-E285 HydrophobicContact CG-CB 4.15Å; Y210-E285 HydrophobicContact CG-CG 4.08Å; Y210-S289 WeakPolarHBondContact CB-OG 3.34Å
211	Q	72.9	Confident	79.4	Confident	161 Å²	161	54.1 Å²	54.1	75%	0.752	30%	0.298	S	S	*	.			trans	-100.3	130.5	173.5	-62.9	-178.7	44.2	0	0	110.2	A213	Q211-A213 PolarHBondContact O-N 2.85Å
212	R	73.1	Confident	78.9	Confident	79 Å²	79	56.5 Å²	56.5	30%	0.298	32%	0.317	S	S	.	.	S	Bend	trans	-58.7	-5.7	-176	72.5	-172.3	-176.3	-149	4	117.1	V292 W339 D340	R212-V292 HydrophobicContact CB-CG2 4.3Å; R212-V292 HydrophobicContact CG-CG2 4.36Å; R212-V292 WeakPolarHBondContact O-CB 3.42Å; R212-V292 PolarHBondContact O-N 3.32Å; R212-W339 HydrophobicContact CB-CH2 3.25Å; R212-W339 HydrophobicContact CB-CZ2 3.63Å; R212-W339 HydrophobicContact CB-CZ3 3.72Å; R212-W339 HydrophobicContact CG-CH2 4.45Å; R212-D340 IonicContact CZ-OD2 2.7Å; R212-D340 VanDerWaalsContact NH1-CB 3.27Å; R212-D340 IonicContact NH1-OD2 3.45Å; R212-D340 PolarHBondContact NH1-OD2 3.33Å; R212-D340 IonicContact NH2-OD2 3.59Å; R212-D340 PolarHBondContact NH2-OD2 2.97Å
213	A	64.6	Low	78.5	Confident	61 Å²	61	62.1 Å²	62.1	50%	0.504	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-101.6	97.3	-166.8	0	0	0	0	0	111.4	Q211	Q211-A213 PolarHBondContact O-N 2.85Å
214	T	58.2	Low	78.2	Confident	41 Å²	41	64.1 Å²	64.1	25%	0.252	35%	0.351	S	S	.	.			trans	-65.5	148	-176.5	67.4	0	0	0	0	113.1	E291 V292 K293	T214-E291 HydrophobicContact CG2-CB 3.52Å; T214-E291 HydrophobicContact CG2-CG 3.54Å; T214-E291 WeakPolarHBondContact CG2-OE1 3.16Å; T214-V292 PolarHBondContact OG1-O 3.29Å; T214-K293 HydrophobicContact CG2-CB 4.45Å
215	G	52.6	Low	77.9	Confident	26 Å²	26	66.4 Å²	66.4	27%	0.268	36%	0.363	S	S	.	.	S	Bend	trans	95	25.6	170.9	0	0	0	0	0	114.8
216	H	57.4	Low	77.9	Confident	144 Å²	144	65.2 Å²	65.2	67%	0.667	36%	0.363	S	S	*	.	S	Bend	trans	-116.5	130.4	153.5	-66.9	-45.1	0	0	0	107.2	E218 E277	H216-E218 PolarHBondContact O-N 2.52Å; H216-E277 WeakPolarHBondContact CA-OE2 3.33Å
217	G	58	Low	78	Confident	28 Å²	28	66.4 Å²	66.4	29%	0.289	37%	0.369	S	S	.	.			trans	-55.3	127.8	179.1	0	0	0	0	0	113.2	H219 E277	G217-H219 PolarHBondContact O-N 2.93Å; G217-E277 PolarHBondContact N-OE2 2.82Å
218	E	66.8	Low	78.2	Confident	32 Å²	32	66.6 Å²	66.6	15%	0.15	37%	0.37	C	S	.	.			trans	-76	118.2	-179.4	-64.3	-159.8	106.9	0	0	110.2	Y210 H216 F220 L271 G279 S281	Y210-E218 VanDerWaalsContact CD1-OE1 3.24Å; Y210-E218 WeakPolarHBondContact CD1-OE1 3.47Å; Y210-E218 WeakPolarHBondContact CE1-OE1 3.32Å; H216-E218 PolarHBondContact O-N 2.52Å; E218-F220 HydrophobicContact CB-CE1 4.41Å; E218-F220 HydrophobicContact CB-CZ 4.2Å; E218-L271 HydrophobicContact CB-CD1 4.26Å; E218-L271 HydrophobicContact CB-CD2 3.76Å; E218-L271 HydrophobicContact CG-CD2 4.26Å; E218-L271 WeakPolarHBondContact O-CD1 3.24Å; E218-L271 WeakPolarHBondContact OE2-CD2 3.47Å; E218-G279 PolarHBondContact N-O 2.87Å; E218-S281 WeakPolarHBondContact OE2-CA 3.32Å
219	H	70.9	Confident	78.7	Confident	177 Å²	177	63.7 Å²	63.7	82%	0.819	35%	0.354	S	S	*	.			trans	-117.7	78	176.6	-77.6	-13.6	0	0	0	110.6	G217 S221	G217-H219 PolarHBondContact O-N 2.93Å; H219-S221 PolarHBondContact O-N 3.12Å
220	F	79.8	Confident	79.4	Confident	31 Å²	31	63.1 Å²	63.1	14%	0.136	36%	0.355	C	S	.	.			trans	-56.1	125.8	174.8	-57.2	-50.8	0	0	0	111.3	Y210 E218 E224 L225 L271	Y210-F220 HydrophobicContact CD1-CE1 4.44Å; Y210-F220 AromaticContact CE1-CE1 3.59Å; Y210-F220 HydrophobicContact CE1-CE1 3.59Å; Y210-F220 AromaticContact CE1-CZ 3.67Å; Y210-F220 HydrophobicContact CE1-CZ 3.67Å; E218-F220 HydrophobicContact CB-CE1 4.41Å; E218-F220 HydrophobicContact CB-CZ 4.2Å; F220-E224 HydrophobicContact CB-CB 4Å; F220-E224 HydrophobicContact CD1-CB 4.18Å; F220-E224 HydrophobicContact CG-CB 4.44Å; F220-L225 HydrophobicContact CB-CD2 3.88Å; F220-L225 HydrophobicContact CB-CG 3.9Å; F220-L225 HydrophobicContact CD2-CD2 4.12Å; F220-L225 HydrophobicContact CG-CD2 4.38Å; F220-L271 HydrophobicContact CD2-CD1 4.21Å; F220-L271 HydrophobicContact CE2-CD1 3.95Å; F220-L271 HydrophobicContact CE2-CD2 3.63Å; F220-L271 HydrophobicContact CE2-CG 3.82Å; F220-L271 HydrophobicContact CZ-CD2 3.91Å
221	S	84.7	Confident	80.2	Confident	51 Å²	51	62.8 Å²	62.8	36%	0.357	35%	0.354	S	S	.	.			trans	-67.3	168.3	168.1	70.7	0	0	0	0	111.8	H219 Q223 E224 L225	H219-S221 PolarHBondContact O-N 3.12Å; S221-Q223 PolarHBondContact O-N 2.97Å; S221-Q223 VanDerWaalsContact O-N 3.15Å; S221-Q223 PolarHBondContact OG-N 3.18Å; S221-E224 WeakPolarHBondContact CA-OE2 3.49Å; S221-E224 WeakPolarHBondContact CB-OE2 3.17Å; S221-E224 PolarHBondContact N-OE2 2.92Å; S221-E224 PolarHBondContact O-N 2.88Å; S221-E224 PolarHBondContact OG-N 3.23Å; S221-E224 PolarHBondContact OG-OE2 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.21Å; S221-L225 PolarHBondContact O-N 2.84Å; S221-L225 VanDerWaalsContact O-N 3.09Å
222	A	88.6	Confident	81.5	Confident	87 Å²	87	55.2 Å²	55.2	72%	0.719	32%	0.319	S	S	*	.	H	α-helix	trans	-60	-21.2	172.7	0	0	0	0	0	113.6	A226	A222-A226 VanDerWaalsContact O-CB 3.31Å; A222-A226 WeakPolarHBondContact O-CB 3.36Å; A222-A226 PolarHBondContact O-N 3.15Å
223	Q	90.3	Very high	82.7	Confident	128 Å²	128	58.1 Å²	58.1	60%	0.598	33%	0.329	S	S	*	.	H	α-helix	trans	-74.8	-51.2	173.3	178.9	178.9	-30.2	0	0	110.7	S221 L225 A226 E227	S221-Q223 PolarHBondContact O-N 2.97Å; S221-Q223 VanDerWaalsContact O-N 3.15Å; S221-Q223 PolarHBondContact OG-N 3.18Å; Q223-L225 VanDerWaalsContact C-N 3.3Å; Q223-L225 PolarHBondContact O-N 3.22Å; Q223-A226 CarbonylContact O-C 3.52Å; Q223-A226 WeakPolarHBondContact O-CA 3.25Å; Q223-A226 WeakPolarHBondContact O-CB 3.23Å; Q223-A226 PolarHBondContact O-N 3.36Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.44Å; Q223-E227 PolarHBondContact NE2-OE1 2.81Å; Q223-E227 WeakPolarHBondContact O-CG 3.49Å; Q223-E227 PolarHBondContact O-N 3.2Å
224	E	90.9	Very high	84.3	Confident	42 Å²	42	57.4 Å²	57.4	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-39.6	-177.8	-66.5	156.1	89.7	0	0	111.4	N209 F220 S221 A226 E227 Q228	N209-E224 HydrophobicContact CB-CG 4.04Å; F220-E224 HydrophobicContact CB-CB 4Å; F220-E224 HydrophobicContact CD1-CB 4.18Å; F220-E224 HydrophobicContact CG-CB 4.44Å; S221-E224 WeakPolarHBondContact CA-OE2 3.49Å; S221-E224 WeakPolarHBondContact CB-OE2 3.17Å; S221-E224 PolarHBondContact N-OE2 2.92Å; S221-E224 PolarHBondContact O-N 2.88Å; S221-E224 PolarHBondContact OG-N 3.23Å; S221-E224 PolarHBondContact OG-OE2 3.48Å; E224-A226 PolarHBondContact O-N 2.89Å; E224-E227 PolarHBondContact O-N 2.98Å; E224-Q228 WeakPolarHBondContact O-CG 3.3Å; E224-Q228 PolarHBondContact O-N 3.18Å
225	L	92.6	Very high	86.2	Confident	72 Å²	72	55.4 Å²	55.4	38%	0.377	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-38.5	171.8	-65.8	174.2	0	0	0	112.5	F220 S221 Q223 E227 Q228 D229	F220-L225 HydrophobicContact CB-CD2 3.88Å; F220-L225 HydrophobicContact CB-CG 3.9Å; F220-L225 HydrophobicContact CD2-CD2 4.12Å; F220-L225 HydrophobicContact CG-CD2 4.38Å; S221-L225 WeakPolarHBondContact O-CG 3.21Å; S221-L225 PolarHBondContact O-N 2.84Å; S221-L225 VanDerWaalsContact O-N 3.09Å; Q223-L225 VanDerWaalsContact C-N 3.3Å; Q223-L225 PolarHBondContact O-N 3.22Å; L225-E227 VanDerWaalsContact C-N 3.31Å; L225-Q228 PolarHBondContact O-N 3.42Å; L225-D229 PolarHBondContact O-N 2.92Å
226	A	94.8	Very high	88.4	Confident	48 Å²	48	54.7 Å²	54.7	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-72.1	-24.7	176.6	0	0	0	0	0	113	A222 Q223 E224 A230	A222-A226 VanDerWaalsContact O-CB 3.31Å; A222-A226 WeakPolarHBondContact O-CB 3.36Å; A222-A226 PolarHBondContact O-N 3.15Å; Q223-A226 CarbonylContact O-C 3.52Å; Q223-A226 WeakPolarHBondContact O-CA 3.25Å; Q223-A226 WeakPolarHBondContact O-CB 3.23Å; Q223-A226 PolarHBondContact O-N 3.36Å; E224-A226 PolarHBondContact O-N 2.89Å; A226-A230 WeakPolarHBondContact O-CB 3.45Å; A226-A230 PolarHBondContact O-N 3.43Å
227	E	96.8	Very high	90.4	Very high	27 Å²	27	53.6 Å²	53.6	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-75.2	-37.1	172.1	-72.7	174.7	-166.1	0	0	112	L206 N209 Q223 E224 L225 D229 A230 F231	L206-E227 HydrophobicContact CD2-CB 4.18Å; N209-E227 PolarHBondContact ND2-OE2 3.16Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.44Å; Q223-E227 PolarHBondContact NE2-OE1 2.81Å; Q223-E227 WeakPolarHBondContact O-CG 3.49Å; Q223-E227 PolarHBondContact O-N 3.2Å; E224-E227 PolarHBondContact O-N 2.98Å; L225-E227 VanDerWaalsContact C-N 3.31Å; E227-D229 VanDerWaalsContact C-N 3.33Å; E227-D229 PolarHBondContact O-N 3.14Å; E227-A230 WeakPolarHBondContact O-CB 3.42Å; E227-A230 PolarHBondContact O-N 3.21Å; E227-A230 VanDerWaalsContact O-N 3.12Å; E227-F231 PolarHBondContact O-N 2.96Å
228	Q	97.1	Very high	92.3	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.023	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-47	168.1	-65.2	171.2	4.2	0	0	110.6	L206 E224 L225 A230 F231 L232 F269	L206-Q228 HydrophobicContact CD2-CB 4.38Å; L206-Q228 HydrophobicContact CD2-CG 3.75Å; E224-Q228 WeakPolarHBondContact O-CG 3.3Å; E224-Q228 PolarHBondContact O-N 3.18Å; L225-Q228 PolarHBondContact O-N 3.42Å; Q228-A230 VanDerWaalsContact C-N 3.3Å; Q228-A230 PolarHBondContact O-N 3.21Å; Q228-F231 PolarHBondContact O-N 3.46Å; Q228-L232 WeakPolarHBondContact O-CG 3.24Å; Q228-L232 PolarHBondContact O-N 2.87Å; Q228-F269 HydrophobicContact CB-CD1 4.38Å; Q228-F269 HydrophobicContact CB-CD2 4.21Å; Q228-F269 HydrophobicContact CB-CE2 4.36Å; Q228-F269 HydrophobicContact CB-CG 4.23Å; Q228-F269 HydrophobicContact CG-CB 4.33Å; Q228-F269 HydrophobicContact CG-CD1 3.65Å; Q228-F269 HydrophobicContact CG-CD2 4.32Å; Q228-F269 HydrophobicContact CG-CE1 3.95Å; Q228-F269 HydrophobicContact CG-CG 3.85Å; Q228-F269 HydrophobicContact CG-CZ 4.42Å
229	D	97.5	Very high	93.9	Very high	51 Å²	51	54 Å²	54	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-67.5	-28.9	175.1	-68.3	-44.4	0	0	0	112.7	L225 E227 R233 K265	L225-D229 PolarHBondContact O-N 2.92Å; E227-D229 VanDerWaalsContact C-N 3.33Å; E227-D229 PolarHBondContact O-N 3.14Å; D229-R233 VanDerWaalsContact CB-NH1 3.31Å; D229-R233 WeakPolarHBondContact O-CB 3.45Å; D229-R233 WeakPolarHBondContact O-CG 3.22Å; D229-R233 VanDerWaalsContact O-CZ 3.28Å; D229-R233 PolarHBondContact O-N 3.3Å; D229-R233 PolarHBondContact O-NE 3.43Å; D229-R233 PolarHBondContact O-NH1 3.33Å; D229-K265 WeakPolarHBondContact OD1-CD 3.47Å; D229-K265 WeakPolarHBondContact OD1-CE 3.33Å; D229-K265 IonicContact OD1-NZ 3.73Å; D229-K265 PolarHBondContact OD1-NZ 2.71Å; D229-K265 IonicContact OD2-NZ 2.76Å; D229-K265 PolarHBondContact OD2-NZ 2.67Å
230	A	98.4	Very high	95.2	Very high	28 Å²	28	45.6 Å²	45.6	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-68.8	-47.7	174.2	0	0	0	0	0	111.5	A226 E227 Q228 L232 R233 E234	A226-A230 WeakPolarHBondContact O-CB 3.45Å; A226-A230 PolarHBondContact O-N 3.43Å; E227-A230 WeakPolarHBondContact O-CB 3.42Å; E227-A230 PolarHBondContact O-N 3.21Å; E227-A230 VanDerWaalsContact O-N 3.12Å; Q228-A230 VanDerWaalsContact C-N 3.3Å; Q228-A230 PolarHBondContact O-N 3.21Å; A230-L232 PolarHBondContact O-N 2.74Å; A230-R233 PolarHBondContact O-N 2.63Å; A230-E234 WeakPolarHBondContact O-CG 3.2Å; A230-E234 PolarHBondContact O-N 3.05Å
231	F	98.7	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-50.3	176	174.7	-108.5	0	0	0	111.6	A202 F203 L206 E227 Q228 R233 E234 I235 F269 F284 P355 F359	A202-F231 HydrophobicContact CB-CB 4.12Å; A202-F231 HydrophobicContact CB-CD2 4.29Å; F203-F231 HydrophobicContact CB-CD2 3.98Å; F203-F231 HydrophobicContact CB-CE2 3.79Å; F203-F231 HydrophobicContact CD2-CD2 4.43Å; F203-F231 AromaticContact CD2-CE2 3.74Å; F203-F231 HydrophobicContact CD2-CE2 3.74Å; F203-F231 AromaticContact CD2-CZ 3.95Å; F203-F231 HydrophobicContact CD2-CZ 3.95Å; F203-F231 HydrophobicContact CG-CE2 4.24Å; L206-F231 HydrophobicContact CD1-CB 3.52Å; L206-F231 HydrophobicContact CD1-CD1 3.75Å; L206-F231 HydrophobicContact CD1-CD2 4.27Å; L206-F231 HydrophobicContact CD1-CG 3.57Å; L206-F231 HydrophobicContact CG-CB 4.32Å; E227-F231 PolarHBondContact O-N 2.96Å; Q228-F231 PolarHBondContact O-N 3.46Å; F231-R233 VanDerWaalsContact C-N 3.35Å; F231-R233 PolarHBondContact O-N 3.16Å; F231-E234 PolarHBondContact O-N 3.4Å; F231-E234 VanDerWaalsContact O-N 3.14Å; F231-I235 HydrophobicContact CD1-CD1 4.41Å; F231-I235 HydrophobicContact CD2-CG2 3.93Å; F231-I235 HydrophobicContact CE1-CD1 3.86Å; F231-I235 HydrophobicContact CE1-CG2 4.31Å; F231-I235 HydrophobicContact CE2-CG2 3.45Å; F231-I235 VanDerWaalsContact CE2-CG2 3.45Å; F231-I235 HydrophobicContact CZ-CD1 4.08Å; F231-I235 HydrophobicContact CZ-CG2 3.68Å; F231-I235 PolarHBondContact O-N 3.05Å; F231-F269 HydrophobicContact CD1-CE2 4.38Å; F231-F269 AromaticContact CD1-CZ 3.92Å; F231-F269 HydrophobicContact CD1-CZ 3.92Å; F231-F269 HydrophobicContact CE1-CZ 4.39Å; F231-F284 HydrophobicContact CE1-CE2 4.45Å; F231-P355 HydrophobicContact CE2-CB 3.82Å; F231-P355 HydrophobicContact CZ-CB 4.25Å; F231-F359 AromaticContact CE1-CD2 3.83Å; F231-F359 HydrophobicContact CE1-CD2 3.83Å; F231-F359 AromaticContact CE1-CE2 3.82Å; F231-F359 HydrophobicContact CE1-CE2 3.82Å; F231-F359 HydrophobicContact CE1-CG 4.21Å; F231-F359 HydrophobicContact CE1-CZ 4.17Å; F231-F359 HydrophobicContact CZ-CD2 4.19Å; F231-F359 HydrophobicContact CZ-CG 4.35Å
232	L	98.8	Very high	96.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-58.1	-44.5	176.7	-69.3	173.7	0	0	0	112	Q228 A230 E234 I235 M236 L264 K265 F269 F359	Q228-L232 WeakPolarHBondContact O-CG 3.24Å; Q228-L232 PolarHBondContact O-N 2.87Å; A230-L232 PolarHBondContact O-N 2.74Å; L232-E234 PolarHBondContact O-N 2.94Å; L232-I235 HydrophobicContact CD2-CD1 4.22Å; L232-I235 WeakPolarHBondContact O-CG1 3.33Å; L232-M236 WeakPolarHBondContact O-CB 3.44Å; L232-M236 VanDerWaalsContact O-CG 3.23Å; L232-M236 WeakPolarHBondContact O-CG 3.22Å; L232-M236 PolarHBondContact O-N 3.39Å; L232-M236 VanDerWaalsContact O-N 3.15Å; L232-L264 HydrophobicContact CD2-CB 4.15Å; L232-K265 HydrophobicContact CD1-CB 3.6Å; L232-K265 HydrophobicContact CD1-CD 4.28Å; L232-K265 HydrophobicContact CD1-CG 3.86Å; L232-F269 HydrophobicContact CD1-CD2 4.44Å; L232-F269 HydrophobicContact CD1-CE2 4.26Å; L232-F269 HydrophobicContact CD2-CE2 4.26Å; L232-F269 HydrophobicContact CG-CE2 4.16Å; L232-F359 HydrophobicContact CD2-CE1 4.08Å; L232-F359 HydrophobicContact CD2-CZ 4Å
233	R	98.6	Very high	97.3	Very high	139 Å²	139	45.4 Å²	45.4	53%	0.525	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-37.4	175.2	-77.6	-175.2	-53.4	-98.5	-1.5	113.4	D229 A230 F231 K237	D229-R233 VanDerWaalsContact CB-NH1 3.31Å; D229-R233 WeakPolarHBondContact O-CB 3.45Å; D229-R233 WeakPolarHBondContact O-CG 3.22Å; D229-R233 VanDerWaalsContact O-CZ 3.28Å; D229-R233 PolarHBondContact O-N 3.3Å; D229-R233 PolarHBondContact O-NE 3.43Å; D229-R233 PolarHBondContact O-NH1 3.33Å; A230-R233 PolarHBondContact O-N 2.63Å; F231-R233 VanDerWaalsContact C-N 3.35Å; F231-R233 PolarHBondContact O-N 3.16Å; R233-K237 VanDerWaalsContact O-CE 3.27Å; R233-K237 WeakPolarHBondContact O-CE 3.37Å; R233-K237 WeakPolarHBondContact O-CG 3.38Å
234	E	98.8	Very high	97.7	Very high	46 Å²	46	39.3 Å²	39.3	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-74	-46.4	178.8	-65.2	-44	124.4	0	0	111.9	P198 T199 A202 A230 F231 L232 M236 K237	P198-E234 HydrophobicContact CB-CB 4.46Å; P198-E234 HydrophobicContact CB-CG 4.11Å; P198-E234 WeakPolarHBondContact CB-OE2 3.42Å; T199-E234 HydrophobicContact CG2-CB 4.04Å; A202-E234 HydrophobicContact CB-CG 4.35Å; A230-E234 WeakPolarHBondContact O-CG 3.2Å; A230-E234 PolarHBondContact O-N 3.05Å; F231-E234 PolarHBondContact O-N 3.4Å; F231-E234 VanDerWaalsContact O-N 3.14Å; L232-E234 PolarHBondContact O-N 2.94Å; E234-M236 VanDerWaalsContact C-N 3.33Å; E234-M236 PolarHBondContact O-N 3.43Å; E234-K237 WeakPolarHBondContact O-CB 3.07Å; E234-K237 PolarHBondContact O-N 2.67Å; E234-K237 IonicContact OE1-NZ 2.94Å; E234-K237 PolarHBondContact OE1-NZ 2.81Å; E234-K237 WeakPolarHBondContact OE2-CE 3.42Å; E234-K237 IonicContact OE2-NZ 2.65Å; E234-K237 PolarHBondContact OE2-NZ 2.88Å
235	I	98.8	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-35.7	-178.5	67.7	173.4	0	0	0	112.1	T199 F231 L232 K237 T238 M241 E356 F359	T199-I235 HydrophobicContact CG2-CG2 3.95Å; F231-I235 HydrophobicContact CD1-CD1 4.41Å; F231-I235 HydrophobicContact CD2-CG2 3.93Å; F231-I235 HydrophobicContact CE1-CD1 3.86Å; F231-I235 HydrophobicContact CE1-CG2 4.31Å; F231-I235 HydrophobicContact CE2-CG2 3.45Å; F231-I235 VanDerWaalsContact CE2-CG2 3.45Å; F231-I235 HydrophobicContact CZ-CD1 4.08Å; F231-I235 HydrophobicContact CZ-CG2 3.68Å; F231-I235 PolarHBondContact O-N 3.05Å; L232-I235 HydrophobicContact CD2-CD1 4.22Å; L232-I235 WeakPolarHBondContact O-CG1 3.33Å; I235-K237 PolarHBondContact O-N 3.44Å; I235-T238 VanDerWaalsContact O-CB 3.27Å; I235-T238 WeakPolarHBondContact O-CB 3.19Å; I235-T238 WeakPolarHBondContact O-CG2 3.21Å; I235-T238 PolarHBondContact O-N 2.86Å; I235-T238 PolarHBondContact O-OG1 2.83Å; I235-M241 HydrophobicContact CB-CG 3.93Å; I235-M241 HydrophobicContact CD1-CE 3.97Å; I235-M241 HydrophobicContact CD1-CG 4.27Å; I235-M241 HydrophobicContact CD1-SD 4.13Å; I235-M241 HydrophobicContact CG1-CE 4.46Å; I235-M241 HydrophobicContact CG1-CG 4.03Å; I235-M241 WeakPolarHBondContact O-CB 3.17Å; I235-M241 WeakPolarHBondContact O-CG 3.28Å; I235-E356 HydrophobicContact CB-CB 3.8Å; I235-E356 HydrophobicContact CG2-CB 3.78Å; I235-F359 HydrophobicContact CD1-CD1 3.42Å; I235-F359 VanDerWaalsContact CD1-CD1 3.42Å; I235-F359 HydrophobicContact CD1-CE1 3.59Å; I235-F359 HydrophobicContact CD1-CG 4.15Å; I235-F359 HydrophobicContact CD1-CZ 4.43Å
236	M	98.7	Very high	98.3	Very high	11 Å²	11	39 Å²	39	5%	0.054	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.6	179.5	-70.3	-60.4	-61.1	0	0	113.9	L232 E234 T238 M241 K242 E257 F260 I261 L264	L232-M236 WeakPolarHBondContact O-CB 3.44Å; L232-M236 VanDerWaalsContact O-CG 3.23Å; L232-M236 WeakPolarHBondContact O-CG 3.22Å; L232-M236 PolarHBondContact O-N 3.39Å; L232-M236 VanDerWaalsContact O-N 3.15Å; E234-M236 VanDerWaalsContact C-N 3.33Å; E234-M236 PolarHBondContact O-N 3.43Å; M236-T238 VanDerWaalsContact C-N 3.27Å; M236-T238 PolarHBondContact O-N 3.38Å; M236-M241 HydrophobicContact SD-CB 3.75Å; M236-M241 HydrophobicContact SD-CE 3.65Å; M236-M241 HydrophobicContact SD-CG 4.23Å; M236-K242 VanDerWaalsContact O-CE 3.31Å; M236-K242 WeakPolarHBondContact O-CE 3.43Å; M236-E257 HydrophobicContact CE-CG 3.49Å; M236-E257 VanDerWaalsContact CE-CG 3.49Å; M236-F260 HydrophobicContact CE-CD1 3.87Å; M236-F260 HydrophobicContact CE-CE1 4.15Å; M236-F260 HydrophobicContact SD-CD1 4.24Å; M236-F260 HydrophobicContact SD-CE1 4.1Å; M236-I261 HydrophobicContact CB-CD1 4.45Å; M236-I261 HydrophobicContact CE-CD1 4.27Å; M236-I261 HydrophobicContact CE-CG1 4.08Å; M236-I261 HydrophobicContact CG-CD1 3.91Å; M236-I261 HydrophobicContact CG-CG1 3.76Å; M236-I261 HydrophobicContact SD-CG1 4.16Å; M236-L264 HydrophobicContact SD-CD1 4.33Å
237	K	98.6	Very high	98.5	Very high	120 Å²	120	38 Å²	38	52%	0.522	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.4	172.3	-63.7	168	-164.5	175.4	0	112.5	R233 E234 I235 K242	R233-K237 VanDerWaalsContact O-CE 3.27Å; R233-K237 WeakPolarHBondContact O-CE 3.37Å; R233-K237 WeakPolarHBondContact O-CG 3.38Å; E234-K237 WeakPolarHBondContact O-CB 3.07Å; E234-K237 PolarHBondContact O-N 2.67Å; E234-K237 IonicContact OE1-NZ 2.94Å; E234-K237 PolarHBondContact OE1-NZ 2.81Å; E234-K237 WeakPolarHBondContact OE2-CE 3.42Å; E234-K237 IonicContact OE2-NZ 2.65Å; E234-K237 PolarHBondContact OE2-NZ 2.88Å; I235-K237 PolarHBondContact O-N 3.44Å; K237-K242 WeakPolarHBondContact O-CE 3.22Å; K237-K242 PolarHBondContact O-NZ 2.92Å
238	T	98.9	Very high	98.6	Very high	18 Å²	18	36.7 Å²	36.7	11%	0.11	19%	0.185	C	C	.	.	S	Bend	trans	-71.4	160.6	-171.1	70.8	0	0	0	0	112.7	T199 I235 M236 V240 M241 K242 E356	T199-T238 HydrophobicContact CG2-CG2 3.88Å; I235-T238 VanDerWaalsContact O-CB 3.27Å; I235-T238 WeakPolarHBondContact O-CB 3.19Å; I235-T238 WeakPolarHBondContact O-CG2 3.21Å; I235-T238 PolarHBondContact O-N 2.86Å; I235-T238 PolarHBondContact O-OG1 2.83Å; M236-T238 VanDerWaalsContact C-N 3.27Å; M236-T238 PolarHBondContact O-N 3.38Å; T238-V240 VanDerWaalsContact C-N 3.31Å; T238-M241 PolarHBondContact OG1-N 3.46Å; T238-M241 VanDerWaalsContact OG1-N 3.16Å; T238-K242 WeakPolarHBondContact O-CD 3.29Å; T238-K242 VanDerWaalsContact O-CG 3.29Å; T238-K242 WeakPolarHBondContact O-CG 3.33Å; T238-K242 PolarHBondContact O-N 3.16Å; T238-E356 HydrophobicContact CG2-CB 4.31Å; T238-E356 HydrophobicContact CG2-CG 3.85Å; T238-E356 WeakPolarHBondContact CG2-OE1 3.27Å
239	A	98.8	Very high	98.5	Very high	50 Å²	50	40.4 Å²	40.4	41%	0.413	20%	0.202	S	C	.	.	H	α-helix	trans	-67.6	-33.7	170.9	0	0	0	0	0	111.9	A152 K242 E243	A152-A239 HydrophobicContact CB-CB 3.88Å; A239-K242 PolarHBondContact O-N 2.95Å; A239-E243 PolarHBondContact O-N 3.01Å
240	V	98.9	Very high	98.3	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-54.8	-57.1	177.7	166.1	0	0	0	0	111.9	I149 A152 D153 T238 K242 E243 L244 E356 A360	I149-V240 HydrophobicContact CG2-CG1 4.07Å; A152-V240 HydrophobicContact CB-CG2 4.12Å; D153-V240 HydrophobicContact CB-CG2 3.87Å; T238-V240 VanDerWaalsContact C-N 3.31Å; V240-K242 VanDerWaalsContact C-N 3.29Å; V240-K242 PolarHBondContact O-N 3.41Å; V240-E243 PolarHBondContact O-N 2.66Å; V240-L244 PolarHBondContact O-N 2.81Å; V240-L244 VanDerWaalsContact O-N 3.16Å; V240-E356 HydrophobicContact CB-CB 4.49Å; V240-E356 HydrophobicContact CB-CG 4.07Å; V240-E356 HydrophobicContact CG1-CB 4.21Å; V240-E356 HydrophobicContact CG1-CG 4.19Å; V240-E356 WeakPolarHBondContact CG1-O 3.46Å; V240-E356 HydrophobicContact CG2-CG 4.25Å; V240-A360 HydrophobicContact CG1-CB 3.56Å
241	M	98.8	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-26.8	-177.6	-67	-59	-68.3	0	0	112.4	I235 M236 T238 L244 Y245 F260 L264 E356 F359 A360	I235-M241 HydrophobicContact CB-CG 3.93Å; I235-M241 HydrophobicContact CD1-CE 3.97Å; I235-M241 HydrophobicContact CD1-CG 4.27Å; I235-M241 HydrophobicContact CD1-SD 4.13Å; I235-M241 HydrophobicContact CG1-CE 4.46Å; I235-M241 HydrophobicContact CG1-CG 4.03Å; I235-M241 WeakPolarHBondContact O-CB 3.17Å; I235-M241 WeakPolarHBondContact O-CG 3.28Å; M236-M241 HydrophobicContact SD-CB 3.75Å; M236-M241 HydrophobicContact SD-CE 3.65Å; M236-M241 HydrophobicContact SD-CG 4.23Å; T238-M241 PolarHBondContact OG1-N 3.46Å; T238-M241 VanDerWaalsContact OG1-N 3.16Å; M241-L244 HydrophobicContact CE-CD2 4.38Å; M241-L244 PolarHBondContact O-N 2.96Å; M241-L244 HydrophobicContact SD-CD2 4.39Å; M241-Y245 WeakPolarHBondContact O-CB 3.44Å; M241-Y245 PolarHBondContact O-N 2.91Å; M241-F260 HydrophobicContact CE-CE1 4Å; M241-F260 HydrophobicContact CE-CZ 4.16Å; M241-L264 HydrophobicContact CE-CD1 3.52Å; M241-E356 HydrophobicContact CG-CB 4.3Å; M241-F359 HydrophobicContact CE-CD1 4.26Å; M241-F359 HydrophobicContact SD-CD1 4.49Å; M241-A360 HydrophobicContact SD-CB 3.83Å
242	K	98.8	Very high	97.5	Very high	103 Å²	103	52.2 Å²	52.2	45%	0.448	26%	0.255	S	S	.	.	H	α-helix	trans	-72	-39.5	175.7	-74.6	170.6	-179	162.2	0	113	M236 K237 T238 A239 V240 S246	M236-K242 VanDerWaalsContact O-CE 3.31Å; M236-K242 WeakPolarHBondContact O-CE 3.43Å; K237-K242 WeakPolarHBondContact O-CE 3.22Å; K237-K242 PolarHBondContact O-NZ 2.92Å; T238-K242 WeakPolarHBondContact O-CD 3.29Å; T238-K242 VanDerWaalsContact O-CG 3.29Å; T238-K242 WeakPolarHBondContact O-CG 3.33Å; T238-K242 PolarHBondContact O-N 3.16Å; A239-K242 PolarHBondContact O-N 2.95Å; V240-K242 VanDerWaalsContact C-N 3.29Å; V240-K242 PolarHBondContact O-N 3.41Å; K242-S246 WeakPolarHBondContact O-CB 3.34Å; K242-S246 PolarHBondContact O-N 2.98Å
243	E	98.9	Very high	97.1	Very high	63 Å²	63	55.4 Å²	55.4	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-46.1	169.9	-78.7	-71.2	178.5	0	0	110.5	I145 K148 I149 A152 A239 V240 F247	I145-E243 HydrophobicContact CD1-CB 4.08Å; K148-E243 HydrophobicContact CB-CG 4.39Å; K148-E243 WeakPolarHBondContact CD-OE2 3.26Å; K148-E243 IonicContact NZ-OE2 2.75Å; K148-E243 PolarHBondContact NZ-OE2 2.74Å; I149-E243 HydrophobicContact CG1-CB 4.46Å; A152-E243 HydrophobicContact CB-CG 4.41Å; A239-E243 PolarHBondContact O-N 3.01Å; V240-E243 PolarHBondContact O-N 2.66Å; E243-F247 VanDerWaalsContact O-CB 3.26Å; E243-F247 WeakPolarHBondContact O-CB 3.05Å; E243-F247 PolarHBondContact O-N 2.92Å
244	L	98.9	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-50.8	178	179.6	59.9	0	0	0	112.6	I149 V240 M241 F247 L248 F260 A360 L364	I149-L244 HydrophobicContact CD1-CB 4.18Å; I149-L244 HydrophobicContact CD1-CD1 4.32Å; V240-L244 PolarHBondContact O-N 2.81Å; V240-L244 VanDerWaalsContact O-N 3.16Å; M241-L244 HydrophobicContact CE-CD2 4.38Å; M241-L244 PolarHBondContact O-N 2.96Å; M241-L244 HydrophobicContact SD-CD2 4.39Å; L244-F247 PolarHBondContact O-N 2.9Å; L244-L248 HydrophobicContact CD1-CD1 3.58Å; L244-L248 HydrophobicContact CD1-CG 3.95Å; L244-L248 HydrophobicContact CD2-CD1 4.49Å; L244-L248 HydrophobicContact CG-CD1 3.75Å; L244-L248 HydrophobicContact CG-CG 4.46Å; L244-L248 WeakPolarHBondContact O-CB 3.28Å; L244-L248 VanDerWaalsContact O-CG 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 2.82Å; L244-F260 HydrophobicContact CD2-CZ 3.86Å; L244-F260 HydrophobicContact CG-CZ 3.97Å; L244-A360 HydrophobicContact CD2-CB 3.74Å; L244-A360 WeakPolarHBondContact CD2-O 3.34Å; L244-L364 HydrophobicContact CD1-CB 3.8Å; L244-L364 HydrophobicContact CD1-CD1 4.03Å; L244-L364 HydrophobicContact CD1-CG 4.41Å
245	Y	98.8	Very high	96.5	Very high	37 Å²	37	50.1 Å²	50.1	15%	0.145	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-48.4	178.5	170.4	-114	0	0	0	111.6	M241 F247 L248 H249 S256 E257 F260	M241-Y245 WeakPolarHBondContact O-CB 3.44Å; M241-Y245 PolarHBondContact O-N 2.91Å; Y245-F247 VanDerWaalsContact C-N 3.27Å; Y245-F247 PolarHBondContact O-N 3.37Å; Y245-L248 PolarHBondContact O-N 3.41Å; Y245-L248 VanDerWaalsContact O-N 3.17Å; Y245-H249 HydrophobicContact CE2-CB 3.99Å; Y245-H249 AromaticContact CZ-CD2 3.91Å; Y245-H249 VanDerWaalsContact O-CB 3.27Å; Y245-H249 WeakPolarHBondContact O-CB 3.21Å; Y245-H249 PolarHBondContact O-N 2.87Å; Y245-H249 PolarHBondContact OH-CD2 2.66Å; Y245-S256 WeakPolarHBondContact CE2-O 3.4Å; Y245-S256 WeakPolarHBondContact OH-CA 3.46Å; Y245-E257 HydrophobicContact CD1-CB 4.2Å; Y245-E257 HydrophobicContact CD1-CG 4.08Å; Y245-E257 HydrophobicContact CE1-CB 3.79Å; Y245-E257 HydrophobicContact CE1-CG 4.19Å; Y245-E257 HydrophobicContact CE2-CB 4.19Å; Y245-E257 HydrophobicContact CG-CG 4.34Å; Y245-E257 VanDerWaalsContact CZ-N 3.33Å; Y245-E257 PolarHBondContact OH-N 2.64Å; Y245-F260 HydrophobicContact CD2-CB 3.8Å; Y245-F260 AromaticContact CD2-CD1 3.63Å; Y245-F260 HydrophobicContact CD2-CD1 3.63Å; Y245-F260 HydrophobicContact CD2-CE1 4.43Å; Y245-F260 AromaticContact CD2-CG 3.9Å; Y245-F260 HydrophobicContact CD2-CG 3.9Å; Y245-F260 HydrophobicContact CE2-CB 4.16Å; Y245-F260 HydrophobicContact CG-CD1 4.01Å
246	S	98.6	Very high	96.4	Very high	71 Å²	71	52.5 Å²	52.5	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-57	-42	178.6	-177.9	0	0	0	0	111.9	K242 H250	K242-S246 WeakPolarHBondContact O-CB 3.34Å; K242-S246 PolarHBondContact O-N 2.98Å; S246-H250 WeakPolarHBondContact O-CB 3.48Å; S246-H250 PolarHBondContact O-N 3.35Å
247	F	98.6	Very high	96.4	Very high	25 Å²	25	55.8 Å²	55.8	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-50.8	173.7	174.1	-103.8	0	0	0	112.6	I137 E141 I145 E243 L244 Y245 H249 H250 Q251 L364	I137-F247 HydrophobicContact CD1-CE1 4.29Å; I137-F247 HydrophobicContact CG2-CE1 4.04Å; I137-F247 HydrophobicContact CG2-CZ 3.56Å; E141-F247 HydrophobicContact CB-CE2 4.03Å; E141-F247 HydrophobicContact CB-CZ 3.99Å; I145-F247 HydrophobicContact CB-CD1 4.14Å; I145-F247 HydrophobicContact CB-CD2 4.06Å; I145-F247 HydrophobicContact CB-CE1 4.28Å; I145-F247 HydrophobicContact CB-CE2 4.2Å; I145-F247 HydrophobicContact CB-CG 4.01Å; I145-F247 HydrophobicContact CB-CZ 4.29Å; I145-F247 HydrophobicContact CD1-CB 3.65Å; I145-F247 HydrophobicContact CD1-CD2 4.42Å; I145-F247 HydrophobicContact CD1-CG 4.01Å; I145-F247 HydrophobicContact CG1-CB 3.83Å; I145-F247 HydrophobicContact CG1-CD1 3.85Å; I145-F247 HydrophobicContact CG1-CD2 4.2Å; I145-F247 HydrophobicContact CG1-CE1 4.44Å; I145-F247 HydrophobicContact CG1-CG 3.69Å; I145-F247 HydrophobicContact CG2-CD1 4.03Å; I145-F247 HydrophobicContact CG2-CE1 3.78Å; I145-F247 HydrophobicContact CG2-CE2 4.33Å; I145-F247 HydrophobicContact CG2-CG 4.39Å; I145-F247 HydrophobicContact CG2-CZ 3.92Å; E243-F247 VanDerWaalsContact O-CB 3.26Å; E243-F247 WeakPolarHBondContact O-CB 3.05Å; E243-F247 PolarHBondContact O-N 2.92Å; L244-F247 PolarHBondContact O-N 2.9Å; Y245-F247 VanDerWaalsContact C-N 3.27Å; Y245-F247 PolarHBondContact O-N 3.37Å; F247-H249 VanDerWaalsContact C-N 3.34Å; F247-H249 PolarHBondContact O-N 3.04Å; F247-H250 PolarHBondContact O-N 3.21Å; F247-Q251 HydrophobicContact CD1-CG 4.45Å; F247-Q251 HydrophobicContact CD2-CG 4.31Å; F247-Q251 HydrophobicContact CE1-CG 4.16Å; F247-Q251 HydrophobicContact CE2-CG 4.02Å; F247-Q251 HydrophobicContact CZ-CG 3.95Å; F247-Q251 WeakPolarHBondContact O-CB 3.22Å; F247-Q251 VanDerWaalsContact O-CG 3.22Å; F247-Q251 WeakPolarHBondContact O-CG 3.41Å; F247-Q251 PolarHBondContact O-N 3.37Å; F247-L364 HydrophobicContact CD1-CD1 4.16Å; F247-L364 HydrophobicContact CE1-CD1 3.77Å
248	L	97.8	Very high	96.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-35	-177.8	-69	170.7	0	0	0	112.6	I137 L244 Y245 Q251 N252 R253 Y254 F260 I367	I137-L248 HydrophobicContact CD1-CD2 4.28Å; L244-L248 HydrophobicContact CD1-CD1 3.58Å; L244-L248 HydrophobicContact CD1-CG 3.95Å; L244-L248 HydrophobicContact CD2-CD1 4.49Å; L244-L248 HydrophobicContact CG-CD1 3.75Å; L244-L248 HydrophobicContact CG-CG 4.46Å; L244-L248 WeakPolarHBondContact O-CB 3.28Å; L244-L248 VanDerWaalsContact O-CG 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 2.82Å; Y245-L248 PolarHBondContact O-N 3.41Å; Y245-L248 VanDerWaalsContact O-N 3.17Å; L248-Q251 CarbonylContact O-C 3.53Å; L248-Q251 PolarHBondContact O-N 2.8Å; L248-N252 PolarHBondContact O-N 3.09Å; L248-R253 HydrophobicContact CB-CB 4.25Å; L248-R253 HydrophobicContact CB-CG 4.46Å; L248-R253 HydrophobicContact CD2-CG 4.11Å; L248-R253 WeakPolarHBondContact O-CB 3.45Å; L248-R253 WeakPolarHBondContact O-CG 3.22Å; L248-R253 PolarHBondContact O-N 2.87Å; L248-Y254 HydrophobicContact CB-CD2 3.91Å; L248-Y254 HydrophobicContact CB-CE2 4.16Å; L248-Y254 HydrophobicContact CD1-CE2 4.07Å; L248-F260 HydrophobicContact CD1-CD2 4.37Å; L248-F260 HydrophobicContact CD1-CE2 3.59Å; L248-F260 HydrophobicContact CD1-CZ 3.89Å; L248-I367 HydrophobicContact CD1-CD1 3.68Å; L248-I367 HydrophobicContact CD2-CD1 4.4Å; L248-I367 HydrophobicContact CD2-CG2 4.04Å
249	H	95.4	Very high	96.2	Very high	84 Å²	84	57.9 Å²	57.9	39%	0.389	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-44.5	171.2	178.8	-81	0	0	0	111.4	Y245 F247 Q251 N252 Y254	Y245-H249 HydrophobicContact CE2-CB 3.99Å; Y245-H249 AromaticContact CZ-CD2 3.91Å; Y245-H249 VanDerWaalsContact O-CB 3.27Å; Y245-H249 WeakPolarHBondContact O-CB 3.21Å; Y245-H249 PolarHBondContact O-N 2.87Å; Y245-H249 PolarHBondContact OH-CD2 2.66Å; F247-H249 VanDerWaalsContact C-N 3.34Å; F247-H249 PolarHBondContact O-N 3.04Å; H249-Q251 PolarHBondContact O-N 3.49Å; H249-N252 WeakPolarHBondContact O-CA 3.45Å; H249-N252 PolarHBondContact O-N 3.16Å; H249-Y254 PolarHBondContact CD2-O 3.17Å
250	H	94.1	Very high	96.2	Very high	148 Å²	148	55.5 Å²	55.5	69%	0.685	29%	0.287	S	S	*	.	H	α-helix	trans	-63.4	-29.6	173.8	-172.1	63.3	0	0	0	112.9	S246 F247 N252	S246-H250 WeakPolarHBondContact O-CB 3.48Å; S246-H250 PolarHBondContact O-N 3.35Å; F247-H250 PolarHBondContact O-N 3.21Å; H250-N252 PolarHBondContact O-N 2.91Å
251	Q	91.1	Very high	96.2	Very high	27 Å²	27	56.9 Å²	56.9	13%	0.126	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	14.1	171.8	-65.7	-72.7	-38.2	0	0	113.4	I137 E141 F247 L248 H249 R253	I137-Q251 HydrophobicContact CD1-CB 4.44Å; I137-Q251 HydrophobicContact CD1-CG 4.43Å; I137-Q251 HydrophobicContact CG1-CB 4.4Å; I137-Q251 HydrophobicContact CG1-CG 4.25Å; E141-Q251 PolarHBondContact OE1-NE2 3.36Å; F247-Q251 HydrophobicContact CD1-CG 4.45Å; F247-Q251 HydrophobicContact CD2-CG 4.31Å; F247-Q251 HydrophobicContact CE1-CG 4.16Å; F247-Q251 HydrophobicContact CE2-CG 4.02Å; F247-Q251 HydrophobicContact CZ-CG 3.95Å; F247-Q251 WeakPolarHBondContact O-CB 3.22Å; F247-Q251 VanDerWaalsContact O-CG 3.22Å; F247-Q251 WeakPolarHBondContact O-CG 3.41Å; F247-Q251 PolarHBondContact O-N 3.37Å; L248-Q251 CarbonylContact O-C 3.53Å; L248-Q251 PolarHBondContact O-N 2.8Å; H249-Q251 PolarHBondContact O-N 3.49Å; Q251-R253 HydrophobicContact CB-CG 4.07Å; Q251-R253 WeakPolarHBondContact O-CD 3.41Å; Q251-R253 PolarHBondContact O-N 2.92Å; Q251-R253 PolarHBondContact O-NE 3.5Å
252	N	89.4	Confident	96.1	Very high	151 Å²	151	60.6 Å²	60.6	81%	0.807	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	33.5	179.7	-55.7	-60.2	0	0	0	114.7	L248 H249 H250	L248-N252 PolarHBondContact O-N 3.09Å; H249-N252 WeakPolarHBondContact O-CA 3.45Å; H249-N252 PolarHBondContact O-N 3.16Å; H250-N252 PolarHBondContact O-N 2.91Å
253	R	90.5	Very high	96	Very high	70 Å²	70	56.2 Å²	56.2	26%	0.264	30%	0.296	S	S	.	.	S	Bend	trans	-87.9	-23.9	179.3	-53.6	-56.5	171.2	-164.2	-13.3	114.2	D135 L248 Q251 I367	D135-R253 PolarHBondContact O-NH1 3.41Å; D135-R253 PolarHBondContact O-NH2 2.89Å; L248-R253 HydrophobicContact CB-CB 4.25Å; L248-R253 HydrophobicContact CB-CG 4.46Å; L248-R253 HydrophobicContact CD2-CG 4.11Å; L248-R253 WeakPolarHBondContact O-CB 3.45Å; L248-R253 WeakPolarHBondContact O-CG 3.22Å; L248-R253 PolarHBondContact O-N 2.87Å; Q251-R253 HydrophobicContact CB-CG 4.07Å; Q251-R253 WeakPolarHBondContact O-CD 3.41Å; Q251-R253 PolarHBondContact O-N 2.92Å; Q251-R253 PolarHBondContact O-NE 3.5Å; R253-I367 HydrophobicContact CG-CG2 4.39Å
254	Y	93.2	Very high	95.9	Very high	11 Å²	11	53.2 Å²	53.2	4%	0.043	28%	0.282	C	S	.	.			trans	-146.2	134.6	-178.3	-60	-79.5	0	0	0	108.8	L248 H249 E259 F260 D263 I367	L248-Y254 HydrophobicContact CB-CD2 3.91Å; L248-Y254 HydrophobicContact CB-CE2 4.16Å; L248-Y254 HydrophobicContact CD1-CE2 4.07Å; H249-Y254 PolarHBondContact CD2-O 3.17Å; Y254-E259 WeakPolarHBondContact CA-OE2 3.49Å; Y254-E259 HydrophobicContact CD1-CB 4.48Å; Y254-E259 HydrophobicContact CD1-CG 4.17Å; Y254-F260 HydrophobicContact CD1-CB 3.94Å; Y254-F260 HydrophobicContact CD1-CD2 4.28Å; Y254-F260 HydrophobicContact CD2-CB 4.25Å; Y254-F260 AromaticContact CD2-CD2 3.75Å; Y254-F260 HydrophobicContact CD2-CD2 3.75Å; Y254-F260 HydrophobicContact CD2-CG 4.29Å; Y254-F260 HydrophobicContact CE1-CB 4.42Å; Y254-F260 HydrophobicContact CE1-CD2 4.05Å; Y254-F260 AromaticContact CE2-CD2 3.53Å; Y254-F260 HydrophobicContact CE2-CD2 3.53Å; Y254-F260 HydrophobicContact CE2-CE2 4.04Å; Y254-F260 HydrophobicContact CE2-CG 4.48Å; Y254-F260 HydrophobicContact CG-CB 3.86Å; Y254-F260 HydrophobicContact CG-CD2 4.14Å; Y254-F260 HydrophobicContact CG-CG 4.38Å; Y254-F260 AromaticContact CZ-CD2 3.7Å; Y254-D263 HydrophobicContact CE1-CB 3.66Å; Y254-D263 WeakPolarHBondContact CE1-OD2 3.06Å; Y254-D263 VanDerWaalsContact CZ-OD2 3.3Å; Y254-D263 PolarHBondContact OH-OD2 3.09Å; Y254-I367 HydrophobicContact CE2-CD1 4.14Å; Y254-I367 WeakPolarHBondContact OH-CD1 3.36Å
255	G	91.8	Very high	95.9	Very high	63 Å²	63	55.7 Å²	55.7	65%	0.649	29%	0.292	S	S	*	.	S	Bend	trans	-86.6	-9.2	174.5	0	0	0	0	0	113.9	E259	G255-E259 PolarHBondContact N-OE2 3.05Å
256	S	96.1	Very high	95.7	Very high	50 Å²	50	57.2 Å²	57.2	35%	0.35	30%	0.303	S	S	.	.	S	Bend	trans	-156.8	161	176	69.5	0	0	0	0	113.5	Y245 Q258 E259 F260	Y245-S256 WeakPolarHBondContact CE2-O 3.4Å; Y245-S256 WeakPolarHBondContact OH-CA 3.46Å; S256-Q258 VanDerWaalsContact C-N 3.3Å; S256-Q258 PolarHBondContact O-N 3.29Å; S256-E259 PolarHBondContact O-N 3.44Å; S256-E259 WeakPolarHBondContact OG-CB 3.44Å; S256-E259 PolarHBondContact OG-N 2.66Å; S256-E259 VanDerWaalsContact OG-N 3.1Å; S256-F260 PolarHBondContact O-N 2.86Å; S256-F260 VanDerWaalsContact O-N 3.17Å
257	E	97.8	Very high	95.6	Very high	79 Å²	79	53.9 Å²	53.9	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-66.9	-33.1	176.2	-167.7	173.3	-115.2	0	0	111.4	M236 Y245 F260 I261	M236-E257 HydrophobicContact CE-CG 3.49Å; M236-E257 VanDerWaalsContact CE-CG 3.49Å; Y245-E257 HydrophobicContact CD1-CB 4.2Å; Y245-E257 HydrophobicContact CD1-CG 4.08Å; Y245-E257 HydrophobicContact CE1-CB 3.79Å; Y245-E257 HydrophobicContact CE1-CG 4.19Å; Y245-E257 HydrophobicContact CE2-CB 4.19Å; Y245-E257 HydrophobicContact CG-CG 4.34Å; Y245-E257 VanDerWaalsContact CZ-N 3.33Å; Y245-E257 PolarHBondContact OH-N 2.64Å; E257-F260 PolarHBondContact O-N 2.88Å; E257-I261 HydrophobicContact CG-CD1 4.23Å; E257-I261 VanDerWaalsContact O-CG1 3.27Å; E257-I261 WeakPolarHBondContact O-CG1 3.49Å; E257-I261 PolarHBondContact O-N 2.63Å
258	Q	97.6	Very high	95.5	Very high	109 Å²	109	52.7 Å²	52.7	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-43.7	174.8	-172.1	62.3	55.1	0	0	111.6	S256 F260 I261 D262	S256-Q258 VanDerWaalsContact C-N 3.3Å; S256-Q258 PolarHBondContact O-N 3.29Å; Q258-F260 VanDerWaalsContact C-N 3.26Å; Q258-F260 PolarHBondContact O-N 3.08Å; Q258-I261 PolarHBondContact O-N 3.1Å; Q258-I261 VanDerWaalsContact O-N 3.15Å; Q258-D262 PolarHBondContact NE2-OD1 2.84Å; Q258-D262 WeakPolarHBondContact O-CB 3.28Å; Q258-D262 PolarHBondContact O-N 2.93Å
259	E	96.9	Very high	95.4	Very high	73 Å²	73	53.1 Å²	53.1	34%	0.341	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-39.8	175.1	-168.8	-155	154.9	0	0	111.4	Y254 G255 S256 D263	Y254-E259 WeakPolarHBondContact CA-OE2 3.49Å; Y254-E259 HydrophobicContact CD1-CB 4.48Å; Y254-E259 HydrophobicContact CD1-CG 4.17Å; G255-E259 PolarHBondContact N-OE2 3.05Å; S256-E259 PolarHBondContact O-N 3.44Å; S256-E259 WeakPolarHBondContact OG-CB 3.44Å; S256-E259 PolarHBondContact OG-N 2.66Å; S256-E259 VanDerWaalsContact OG-N 3.1Å; E259-D263 VanDerWaalsContact O-CB 3.31Å; E259-D263 WeakPolarHBondContact O-CB 3.19Å; E259-D263 PolarHBondContact O-N 2.68Å
260	F	97.9	Very high	95.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-42.5	175	179.5	-128.8	0	0	0	112.1	M236 M241 L244 Y245 L248 Y254 S256 E257 Q258 D263 L264 I367	M236-F260 HydrophobicContact CE-CD1 3.87Å; M236-F260 HydrophobicContact CE-CE1 4.15Å; M236-F260 HydrophobicContact SD-CD1 4.24Å; M236-F260 HydrophobicContact SD-CE1 4.1Å; M241-F260 HydrophobicContact CE-CE1 4Å; M241-F260 HydrophobicContact CE-CZ 4.16Å; L244-F260 HydrophobicContact CD2-CZ 3.86Å; L244-F260 HydrophobicContact CG-CZ 3.97Å; Y245-F260 HydrophobicContact CD2-CB 3.8Å; Y245-F260 AromaticContact CD2-CD1 3.63Å; Y245-F260 HydrophobicContact CD2-CD1 3.63Å; Y245-F260 HydrophobicContact CD2-CE1 4.43Å; Y245-F260 AromaticContact CD2-CG 3.9Å; Y245-F260 HydrophobicContact CD2-CG 3.9Å; Y245-F260 HydrophobicContact CE2-CB 4.16Å; Y245-F260 HydrophobicContact CG-CD1 4.01Å; L248-F260 HydrophobicContact CD1-CD2 4.37Å; L248-F260 HydrophobicContact CD1-CE2 3.59Å; L248-F260 HydrophobicContact CD1-CZ 3.89Å; Y254-F260 HydrophobicContact CD1-CB 3.94Å; Y254-F260 HydrophobicContact CD1-CD2 4.28Å; Y254-F260 HydrophobicContact CD2-CB 4.25Å; Y254-F260 AromaticContact CD2-CD2 3.75Å; Y254-F260 HydrophobicContact CD2-CD2 3.75Å; Y254-F260 HydrophobicContact CD2-CG 4.29Å; Y254-F260 HydrophobicContact CE1-CB 4.42Å; Y254-F260 HydrophobicContact CE1-CD2 4.05Å; Y254-F260 AromaticContact CE2-CD2 3.53Å; Y254-F260 HydrophobicContact CE2-CD2 3.53Å; Y254-F260 HydrophobicContact CE2-CE2 4.04Å; Y254-F260 HydrophobicContact CE2-CG 4.48Å; Y254-F260 HydrophobicContact CG-CB 3.86Å; Y254-F260 HydrophobicContact CG-CD2 4.14Å; Y254-F260 HydrophobicContact CG-CG 4.38Å; Y254-F260 AromaticContact CZ-CD2 3.7Å; S256-F260 PolarHBondContact O-N 2.86Å; S256-F260 VanDerWaalsContact O-N 3.17Å; E257-F260 PolarHBondContact O-N 2.88Å; Q258-F260 VanDerWaalsContact C-N 3.26Å; Q258-F260 PolarHBondContact O-N 3.08Å; F260-D263 PolarHBondContact O-N 3.33Å; F260-L264 HydrophobicContact CD1-CD1 4.04Å; F260-L264 HydrophobicContact CD2-CD1 4.24Å; F260-L264 HydrophobicContact CD2-CG 4.1Å; F260-L264 HydrophobicContact CE1-CD1 3.69Å; F260-L264 HydrophobicContact CE2-CD1 3.9Å; F260-L264 HydrophobicContact CE2-CD2 3.93Å; F260-L264 HydrophobicContact CE2-CG 3.82Å; F260-L264 HydrophobicContact CG-CD1 4.31Å; F260-L264 HydrophobicContact CZ-CD1 3.63Å; F260-L264 HydrophobicContact CZ-CD2 4.14Å; F260-L264 HydrophobicContact CZ-CG 4.05Å; F260-L264 WeakPolarHBondContact O-CB 3.28Å; F260-L264 VanDerWaalsContact O-CG 3.23Å; F260-L264 WeakPolarHBondContact O-CG 3.4Å; F260-L264 PolarHBondContact O-N 3.3Å; F260-I367 HydrophobicContact CE2-CD1 4.33Å
261	I	98.4	Very high	94.6	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.159	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-45.4	175.4	-71.9	165.9	0	0	0	111.5	M236 E257 Q258 D263 L264 K265	M236-I261 HydrophobicContact CB-CD1 4.45Å; M236-I261 HydrophobicContact CE-CD1 4.27Å; M236-I261 HydrophobicContact CE-CG1 4.08Å; M236-I261 HydrophobicContact CG-CD1 3.91Å; M236-I261 HydrophobicContact CG-CG1 3.76Å; M236-I261 HydrophobicContact SD-CG1 4.16Å; E257-I261 HydrophobicContact CG-CD1 4.23Å; E257-I261 VanDerWaalsContact O-CG1 3.27Å; E257-I261 WeakPolarHBondContact O-CG1 3.49Å; E257-I261 PolarHBondContact O-N 2.63Å; Q258-I261 PolarHBondContact O-N 3.1Å; Q258-I261 VanDerWaalsContact O-N 3.15Å; I261-D263 VanDerWaalsContact C-N 3.33Å; I261-D263 PolarHBondContact O-N 3.12Å; I261-L264 PolarHBondContact O-N 2.85Å; I261-K265 PolarHBondContact O-N 2.92Å
262	D	96.5	Very high	94.1	Very high	78 Å²	78	44.4 Å²	44.4	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-65	-39.1	179.2	-65.2	-20	0	0	0	110.9	Q258 K265 N266	Q258-D262 PolarHBondContact NE2-OD1 2.84Å; Q258-D262 WeakPolarHBondContact O-CB 3.28Å; Q258-D262 PolarHBondContact O-N 2.93Å; D262-K265 PolarHBondContact O-N 3.37Å; D262-N266 PolarHBondContact O-N 3.23Å; D262-N266 VanDerWaalsContact O-N 3.13Å; D262-N266 PolarHBondContact O-ND2 2.87Å
263	D	97.1	Very high	93.3	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-68.7	-43.9	175.1	-162.7	28.7	0	0	0	112	Y254 E259 F260 I261 K265 N266 M267 Y395 K399	Y254-D263 HydrophobicContact CE1-CB 3.66Å; Y254-D263 WeakPolarHBondContact CE1-OD2 3.06Å; Y254-D263 VanDerWaalsContact CZ-OD2 3.3Å; Y254-D263 PolarHBondContact OH-OD2 3.09Å; E259-D263 VanDerWaalsContact O-CB 3.31Å; E259-D263 WeakPolarHBondContact O-CB 3.19Å; E259-D263 PolarHBondContact O-N 2.68Å; F260-D263 PolarHBondContact O-N 3.33Å; I261-D263 VanDerWaalsContact C-N 3.33Å; I261-D263 PolarHBondContact O-N 3.12Å; D263-K265 VanDerWaalsContact C-N 3.27Å; D263-K265 PolarHBondContact O-N 3.06Å; D263-N266 PolarHBondContact O-N 3.01Å; D263-M267 WeakPolarHBondContact O-CB 3.19Å; D263-M267 PolarHBondContact O-N 3.48Å; D263-Y395 WeakPolarHBondContact OD1-CE2 3.35Å; D263-Y395 VanDerWaalsContact OD1-CZ 3.3Å; D263-Y395 PolarHBondContact OD1-OH 2.9Å; D263-K399 WeakPolarHBondContact OD1-CD 3.38Å; D263-K399 IonicContact OD1-NZ 3.06Å; D263-K399 PolarHBondContact OD1-NZ 3.22Å; D263-K399 IonicContact OD2-NZ 2.79Å; D263-K399 PolarHBondContact OD2-NZ 3.42Å
264	L	98.3	Very high	92.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-41.2	172.6	-73.8	172.2	0	0	0	111.5	L232 M236 M241 F260 I261 M267 W268 F359 S363	L232-L264 HydrophobicContact CD2-CB 4.15Å; M236-L264 HydrophobicContact SD-CD1 4.33Å; M241-L264 HydrophobicContact CE-CD1 3.52Å; F260-L264 HydrophobicContact CD1-CD1 4.04Å; F260-L264 HydrophobicContact CD2-CD1 4.24Å; F260-L264 HydrophobicContact CD2-CG 4.1Å; F260-L264 HydrophobicContact CE1-CD1 3.69Å; F260-L264 HydrophobicContact CE2-CD1 3.9Å; F260-L264 HydrophobicContact CE2-CD2 3.93Å; F260-L264 HydrophobicContact CE2-CG 3.82Å; F260-L264 HydrophobicContact CG-CD1 4.31Å; F260-L264 HydrophobicContact CZ-CD1 3.63Å; F260-L264 HydrophobicContact CZ-CD2 4.14Å; F260-L264 HydrophobicContact CZ-CG 4.05Å; F260-L264 WeakPolarHBondContact O-CB 3.28Å; F260-L264 VanDerWaalsContact O-CG 3.23Å; F260-L264 WeakPolarHBondContact O-CG 3.4Å; F260-L264 PolarHBondContact O-N 3.3Å; I261-L264 PolarHBondContact O-N 2.85Å; L264-M267 HydrophobicContact CD2-SD 4.46Å; L264-M267 PolarHBondContact O-N 2.94Å; L264-W268 WeakPolarHBondContact O-CB 3.37Å; L264-W268 PolarHBondContact O-N 3.26Å; L264-W268 VanDerWaalsContact O-N 3.08Å; L264-F359 HydrophobicContact CB-CE1 4.35Å; L264-F359 HydrophobicContact CD1-CE1 4.23Å; L264-F359 HydrophobicContact CD2-CE1 3.89Å; L264-F359 HydrophobicContact CG-CE1 4.38Å; L264-S363 WeakPolarHBondContact CD2-OG 3.21Å
265	K	97.3	Very high	90.5	Very high	52 Å²	52	38.3 Å²	38.3	23%	0.226	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-48.9	177.9	-166.8	174.1	-175.6	175.6	0	111.5	D229 L232 I261 D262 D263 F269 G270	D229-K265 WeakPolarHBondContact OD1-CD 3.47Å; D229-K265 WeakPolarHBondContact OD1-CE 3.33Å; D229-K265 IonicContact OD1-NZ 3.73Å; D229-K265 PolarHBondContact OD1-NZ 2.71Å; D229-K265 IonicContact OD2-NZ 2.76Å; D229-K265 PolarHBondContact OD2-NZ 2.67Å; L232-K265 HydrophobicContact CD1-CB 3.6Å; L232-K265 HydrophobicContact CD1-CD 4.28Å; L232-K265 HydrophobicContact CD1-CG 3.86Å; I261-K265 PolarHBondContact O-N 2.92Å; D262-K265 PolarHBondContact O-N 3.37Å; D263-K265 VanDerWaalsContact C-N 3.27Å; D263-K265 PolarHBondContact O-N 3.06Å; K265-F269 HydrophobicContact CG-CD2 4.35Å; K265-F269 WeakPolarHBondContact O-CA 3.32Å; K265-F269 WeakPolarHBondContact O-CB 3.47Å; K265-F269 PolarHBondContact O-N 3.08Å; K265-G270 PolarHBondContact O-N 2.65Å
266	N	95.1	Very high	88.6	Confident	69 Å²	69	43.8 Å²	43.8	37%	0.369	24%	0.236	S	C	.	.	H	α-helix	trans	-70.4	-37.3	179.3	-74.5	-83.8	0	0	0	112.8	D262 D263 W268 G270 Y395 H401	D262-N266 PolarHBondContact O-N 3.23Å; D262-N266 VanDerWaalsContact O-N 3.13Å; D262-N266 PolarHBondContact O-ND2 2.87Å; D263-N266 PolarHBondContact O-N 3.01Å; N266-W268 PolarHBondContact O-N 3.22Å; N266-G270 WeakPolarHBondContact O-CA 3.23Å; N266-G270 PolarHBondContact O-N 2.92Å; N266-Y395 HydrophobicContact CB-CD1 4.04Å; N266-Y395 HydrophobicContact CB-CD2 3.37Å; N266-Y395 HydrophobicContact CB-CE1 3.97Å; N266-Y395 HydrophobicContact CB-CE2 3.33Å; N266-Y395 HydrophobicContact CB-CG 3.74Å; N266-H401 PolarHBondContact O-ND1 3.46Å
267	M	95.8	Very high	86.5	Confident	2 Å²	2	46 Å²	46	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-44.6	179.1	-179.8	-174.7	-56.2	0	0	112	D263 L264 F366 I367 I402	D263-M267 WeakPolarHBondContact O-CB 3.19Å; D263-M267 PolarHBondContact O-N 3.48Å; L264-M267 HydrophobicContact CD2-SD 4.46Å; L264-M267 PolarHBondContact O-N 2.94Å; M267-F366 HydrophobicContact CE-CD1 3.97Å; M267-F366 HydrophobicContact CE-CE1 4.39Å; M267-F366 HydrophobicContact CG-CD1 3.8Å; M267-F366 HydrophobicContact CG-CE1 3.88Å; M267-F366 HydrophobicContact SD-CD1 3.57Å; M267-F366 VanDerWaalsContact SD-CD1 3.57Å; M267-F366 HydrophobicContact SD-CE1 4.22Å; M267-F366 HydrophobicContact SD-CG 4.43Å; M267-I367 HydrophobicContact CE-CD1 4.1Å; M267-I367 HydrophobicContact CE-CG1 3.87Å; M267-I402 HydrophobicContact CG-CB 4.32Å; M267-I402 HydrophobicContact CG-CG2 4.47Å; M267-I402 WeakPolarHBondContact O-CG2 3.47Å; M267-I402 PolarHBondContact O-N 3.47Å
268	W	97.4	Very high	84.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-100.2	-42.6	-172.8	-73.2	97.1	0	0	0	114.4	L264 N266 G283 F284 V287 F288 F359 Y362 S363 I402 A405	L264-W268 WeakPolarHBondContact O-CB 3.37Å; L264-W268 PolarHBondContact O-N 3.26Å; L264-W268 VanDerWaalsContact O-N 3.08Å; N266-W268 PolarHBondContact O-N 3.22Å; W268-G283 CarbonylContact O-C 3.49Å; W268-G283 WeakPolarHBondContact O-CA 3.47Å; W268-G283 PolarHBondContact O-N 2.96Å; W268-F284 PolarHBondContact O-N 3.04Å; W268-V287 HydrophobicContact CZ3-CB 4.01Å; W268-V287 HydrophobicContact CZ3-CG1 4.25Å; W268-V287 HydrophobicContact CZ3-CG2 3.98Å; W268-F288 HydrophobicContact CE3-CD2 4.48Å; W268-F288 AromaticContact CE3-CE2 3.85Å; W268-F288 HydrophobicContact CE3-CE2 3.85Å; W268-F288 AromaticContact CH2-CE2 3.87Å; W268-F288 HydrophobicContact CH2-CE2 3.87Å; W268-F288 HydrophobicContact CH2-CZ 4.18Å; W268-F288 HydrophobicContact CZ3-CD2 4.16Å; W268-F288 AromaticContact CZ3-CE2 3.41Å; W268-F288 HydrophobicContact CZ3-CE2 3.41Å; W268-F288 VanDerWaalsContact CZ3-CE2 3.41Å; W268-F288 HydrophobicContact CZ3-CZ 4.16Å; W268-F359 HydrophobicContact CB-CE2 3.89Å; W268-F359 HydrophobicContact CB-CZ 4Å; W268-F359 AromaticContact CD1-CE1 3.91Å; W268-F359 AromaticContact CD1-CE2 3.54Å; W268-F359 AromaticContact CD1-CZ 3.22Å; W268-F359 HydrophobicContact CD2-CD2 4.09Å; W268-F359 AromaticContact CD2-CE2 3.55Å; W268-F359 HydrophobicContact CD2-CE2 3.55Å; W268-F359 HydrophobicContact CD2-CZ 4.09Å; W268-F359 AromaticContact CE2-CE2 3.81Å; W268-F359 HydrophobicContact CE3-CE2 4.2Å; W268-F359 HydrophobicContact CG-CD2 4.35Å; W268-F359 AromaticContact CG-CE2 3.38Å; W268-F359 HydrophobicContact CG-CE2 3.38Å; W268-F359 AromaticContact CG-CZ 3.51Å; W268-F359 HydrophobicContact CG-CZ 3.51Å; W268-F359 HydrophobicContact CZ2-CD2 4.44Å; W268-F359 AromaticContact NE1-CE1 3.98Å; W268-F359 AromaticContact NE1-CE2 3.76Å; W268-F359 AromaticContact NE1-CZ 3.63Å; W268-Y362 HydrophobicContact CH2-CD2 4.04Å; W268-Y362 HydrophobicContact CH2-CG 4.31Å; W268-S363 PolarHBondContact NE1-OG 3.45Å; W268-I402 HydrophobicContact CD2-CG2 3.74Å; W268-I402 HydrophobicContact CE3-CG2 3.56Å; W268-I402 HydrophobicContact CG-CG2 4.37Å; W268-I402 HydrophobicContact CH2-CD1 3.78Å; W268-I402 HydrophobicContact CH2-CG2 4.15Å; W268-I402 HydrophobicContact CZ2-CD1 3.88Å; W268-I402 HydrophobicContact CZ2-CG2 4.31Å; W268-I402 HydrophobicContact CZ3-CD1 4.36Å; W268-I402 HydrophobicContact CZ3-CG2 3.76Å; W268-A405 HydrophobicContact CH2-CB 4.35Å
269	F	94.6	Very high	82.8	Confident	8 Å²	8	46 Å²	46	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-104.7	-5.8	-175.3	-54.7	-73.6	0	0	0	113.7	L206 Q228 F231 L232 K265 L271 F284	L206-F269 HydrophobicContact CD1-CE1 3.8Å; L206-F269 HydrophobicContact CD1-CZ 3.71Å; L206-F269 HydrophobicContact CD2-CE1 4.33Å; Q228-F269 HydrophobicContact CB-CD1 4.38Å; Q228-F269 HydrophobicContact CB-CD2 4.21Å; Q228-F269 HydrophobicContact CB-CE2 4.36Å; Q228-F269 HydrophobicContact CB-CG 4.23Å; Q228-F269 HydrophobicContact CG-CB 4.33Å; Q228-F269 HydrophobicContact CG-CD1 3.65Å; Q228-F269 HydrophobicContact CG-CD2 4.32Å; Q228-F269 HydrophobicContact CG-CE1 3.95Å; Q228-F269 HydrophobicContact CG-CG 3.85Å; Q228-F269 HydrophobicContact CG-CZ 4.42Å; F231-F269 HydrophobicContact CD1-CE2 4.38Å; F231-F269 AromaticContact CD1-CZ 3.92Å; F231-F269 HydrophobicContact CD1-CZ 3.92Å; F231-F269 HydrophobicContact CE1-CZ 4.39Å; L232-F269 HydrophobicContact CD1-CD2 4.44Å; L232-F269 HydrophobicContact CD1-CE2 4.26Å; L232-F269 HydrophobicContact CD2-CE2 4.26Å; L232-F269 HydrophobicContact CG-CE2 4.16Å; K265-F269 HydrophobicContact CG-CD2 4.35Å; K265-F269 WeakPolarHBondContact O-CA 3.32Å; K265-F269 WeakPolarHBondContact O-CB 3.47Å; K265-F269 PolarHBondContact O-N 3.08Å; F269-L271 PolarHBondContact O-N 2.76Å; F269-F284 HydrophobicContact CD1-CB 3.7Å; F269-F284 HydrophobicContact CD1-CG 4.07Å; F269-F284 HydrophobicContact CE1-CB 3.48Å; F269-F284 VanDerWaalsContact CE1-CB 3.48Å; F269-F284 AromaticContact CE1-CD1 3.99Å; F269-F284 HydrophobicContact CE1-CD1 3.99Å; F269-F284 AromaticContact CE1-CD2 3.49Å; F269-F284 HydrophobicContact CE1-CD2 3.49Å; F269-F284 VanDerWaalsContact CE1-CD2 3.49Å; F269-F284 HydrophobicContact CE1-CE2 4.21Å; F269-F284 AromaticContact CE1-CG 3.36Å; F269-F284 HydrophobicContact CE1-CG 3.36Å; F269-F284 HydrophobicContact CZ-CB 4.28Å; F269-F284 AromaticContact CZ-CD2 3.7Å; F269-F284 HydrophobicContact CZ-CD2 3.7Å; F269-F284 HydrophobicContact CZ-CE2 4.29Å; F269-F284 HydrophobicContact CZ-CG 4.07Å
270	G	90.4	Very high	81.6	Confident	13 Å²	13	42.7 Å²	42.7	13%	0.134	23%	0.229	C	C	.	.			trans	-64.9	118.4	172.9	0	0	0	0	0	111.2	K265 N266 H401	K265-G270 PolarHBondContact O-N 2.65Å; N266-G270 WeakPolarHBondContact O-CA 3.23Å; N266-G270 PolarHBondContact O-N 2.92Å; G270-H401 PolarHBondContact O-ND1 2.97Å
271	L	84.3	Confident	80.9	Confident	61 Å²	61	42.7 Å²	42.7	32%	0.319	23%	0.229	S	C	.	.			trans	-68.2	145.4	-176.6	-72.6	173.7	0	0	0	113.2	E218 F220 F269 S281	E218-L271 HydrophobicContact CB-CD1 4.26Å; E218-L271 HydrophobicContact CB-CD2 3.76Å; E218-L271 HydrophobicContact CG-CD2 4.26Å; E218-L271 WeakPolarHBondContact O-CD1 3.24Å; E218-L271 WeakPolarHBondContact OE2-CD2 3.47Å; F220-L271 HydrophobicContact CD2-CD1 4.21Å; F220-L271 HydrophobicContact CE2-CD1 3.95Å; F220-L271 HydrophobicContact CE2-CD2 3.63Å; F220-L271 HydrophobicContact CE2-CG 3.82Å; F220-L271 HydrophobicContact CZ-CD2 3.91Å; F269-L271 PolarHBondContact O-N 2.76Å; L271-S281 WeakPolarHBondContact CA-O 3.23Å
272	Y	78.9	Confident	80.5	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.012	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-146.1	169.9	174.9	48.1	-131	0	0	0	113.6	R274 G279 D280 S281 S282 G283 W390 H401 I402	Y272-R274 HydrophobicContact CD2-CG 3.95Å; Y272-R274 HydrophobicContact CE2-CG 3.93Å; Y272-R274 PolarHBondContact OH-NH2 3.24Å; Y272-G279 CarbonylContact O-C 3.58Å; Y272-G279 WeakPolarHBondContact O-CA 3.35Å; Y272-D280 PolarHBondContact O-N 3.12Å; Y272-D280 VanDerWaalsContact O-N 3.1Å; Y272-S281 VanDerWaalsContact CD2-O 3.25Å; Y272-S281 WeakPolarHBondContact CD2-O 3.47Å; Y272-S281 WeakPolarHBondContact CE2-O 3.43Å; Y272-S281 WeakPolarHBondContact CE2-OG 3.47Å; Y272-S281 PolarHBondContact N-O 3.13Å; Y272-S281 PolarHBondContact O-N 3.5Å; Y272-S282 PolarHBondContact OH-O 3.09Å; Y272-G283 VanDerWaalsContact OH-CA 3.25Å; Y272-G283 WeakPolarHBondContact OH-CA 3.05Å; Y272-G283 PolarHBondContact OH-N 2.82Å; Y272-G283 VanDerWaalsContact OH-N 3.12Å; Y272-W390 HydrophobicContact CD1-CB 3.8Å; Y272-W390 AromaticContact CD1-CD1 3.73Å; Y272-W390 HydrophobicContact CD1-CD2 4.06Å; Y272-W390 AromaticContact CD1-CG 3.54Å; Y272-W390 HydrophobicContact CD1-CG 3.54Å; Y272-W390 HydrophobicContact CD2-CD2 4.26Å; Y272-W390 HydrophobicContact CD2-CE3 4.5Å; Y272-W390 HydrophobicContact CE1-CB 3.87Å; Y272-W390 HydrophobicContact CE1-CG 4.03Å; Y272-W390 AromaticContact CG-CD1 3.87Å; Y272-W390 AromaticContact CG-CD2 3.9Å; Y272-W390 HydrophobicContact CG-CD2 3.9Å; Y272-W390 AromaticContact CG-CE2 3.97Å; Y272-W390 AromaticContact CG-CG 3.82Å; Y272-W390 HydrophobicContact CG-CG 3.82Å; Y272-W390 AromaticContact CG-NE1 3.94Å; Y272-H401 HydrophobicContact CD1-CB 3.57Å; Y272-H401 AromaticContact CD1-CD2 3.89Å; Y272-H401 AromaticContact CD1-CG 3.75Å; Y272-H401 HydrophobicContact CE1-CB 3.54Å; Y272-I402 WeakPolarHBondContact CE1-O 3.47Å; Y272-I402 PolarHBondContact OH-O 3.48Å
273	S	74.1	Confident	80.4	Confident	40 Å²	40	37.5 Å²	37.5	28%	0.28	20%	0.201	S	C	.	.			trans	-103.8	89.4	-168.6	-41.7	0	0	0	0	113.1	E277 E278 G279 D280 W390 K392	S273-E277 WeakPolarHBondContact CB-O 3.28Å; S273-E278 WeakPolarHBondContact OG-CA 3.35Å; S273-G279 PolarHBondContact OG-N 2.73Å; S273-D280 WeakPolarHBondContact CA-OD1 3.38Å; S273-W390 WeakPolarHBondContact O-CH2 3.26Å; S273-W390 WeakPolarHBondContact O-CZ2 3.49Å; S273-K392 PolarHBondContact O-NZ 2.83Å
274	R	64.8	Low	80.3	Confident	35 Å²	35	37 Å²	37	13%	0.132	20%	0.199	C	C	.	.	S	Bend	trans	-81.4	-29.9	177.2	-81.2	-157.5	-175.2	-151	3.3	114.1	Y272 D280 S281 H286 E291 K293 W390 A403	Y272-R274 HydrophobicContact CD2-CG 3.95Å; Y272-R274 HydrophobicContact CE2-CG 3.93Å; Y272-R274 PolarHBondContact OH-NH2 3.24Å; R274-D280 WeakPolarHBondContact CA-OD1 3.35Å; R274-D280 PolarHBondContact N-OD1 3.23Å; R274-S281 VanDerWaalsContact CD-OG 3.22Å; R274-S281 WeakPolarHBondContact CD-OG 3.42Å; R274-S281 PolarHBondContact NE-OG 3.39Å; R274-H286 PolarHBondContact NH1-CE1 3.48Å; R274-H286 VanDerWaalsContact NH1-CE1 3.29Å; R274-H286 VanDerWaalsContact NH1-CG 3.25Å; R274-H286 PolarHBondContact NH1-ND1 3.36Å; R274-E291 VanDerWaalsContact CD-OE1 3.3Å; R274-E291 WeakPolarHBondContact CD-OE1 3.36Å; R274-E291 IonicContact CZ-OE2 3.87Å; R274-E291 IonicContact NE-OE2 3.59Å; R274-E291 IonicContact NH1-OE2 3.09Å; R274-E291 PolarHBondContact NH1-OE2 3.09Å; R274-K293 PolarHBondContact O-NZ 2.63Å; R274-W390 HydrophobicContact CG-CH2 4.01Å; R274-W390 HydrophobicContact CG-CZ3 3.9Å; R274-A403 PolarHBondContact NH2-O 3.11Å
275	G	59.2	Low	80	Confident	28 Å²	28	37.2 Å²	37.2	29%	0.289	20%	0.2	S	C	.	.	S	Bend	trans	-95.2	-142.2	175.1	0	0	0	0	0	112.6	D280	G275-D280 WeakPolarHBondContact CA-OD2 3.29Å; G275-D280 PolarHBondContact N-OD1 3.04Å; G275-D280 VanDerWaalsContact N-OD1 3.11Å; G275-D280 PolarHBondContact N-OD2 3.38Å
276	N	51.3	Low	79.8	Confident	178 Å²	178	35.3 Å²	35.3	95%	0.952	19%	0.192	S	C	*	.	S	Bend	trans	-101.7	-11.9	169.5	-68.8	-11.7	0	0	0	112.4
277	E	53.2	Low	79.8	Confident	97 Å²	97	32 Å²	32	45%	0.453	17%	0.174	S	C	.	.	S	Bend	trans	-88.1	159.5	174.1	-57.8	-163.6	164.8	0	0	110.2	H216 G217 S273	H216-E277 WeakPolarHBondContact CA-OE2 3.33Å; G217-E277 PolarHBondContact N-OE2 2.82Å; S273-E277 WeakPolarHBondContact CB-O 3.28Å
278	E	56.4	Low	79.9	Confident	176 Å²	176	32 Å²	32	82%	0.822	17%	0.174	S	C	*	.	S	Bend	trans	-89.1	125.9	179.7	-66.4	-172.2	153.4	0	0	111.3	S273	S273-E278 WeakPolarHBondContact OG-CA 3.35Å
279	G	61.3	Low	79.7	Confident	13 Å²	13	32 Å²	32	13%	0.134	17%	0.174	C	C	.	.	S	Bend	trans	71	49.8	176.5	0	0	0	0	0	114.4	E218 Y272 S273	E218-G279 PolarHBondContact N-O 2.87Å; Y272-G279 CarbonylContact O-C 3.58Å; Y272-G279 WeakPolarHBondContact O-CA 3.35Å; S273-G279 PolarHBondContact OG-N 2.73Å
280	D	72.1	Confident	79.5	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.011	17%	0.173	C	C	.	.			trans	-100.5	13.5	-177	73.4	-37.4	0	0	0	114.5	Y272 S273 R274 G275	Y272-D280 PolarHBondContact O-N 3.12Å; Y272-D280 VanDerWaalsContact O-N 3.1Å; S273-D280 WeakPolarHBondContact CA-OD1 3.38Å; R274-D280 WeakPolarHBondContact CA-OD1 3.35Å; R274-D280 PolarHBondContact N-OD1 3.23Å; G275-D280 WeakPolarHBondContact CA-OD2 3.29Å; G275-D280 PolarHBondContact N-OD1 3.04Å; G275-D280 VanDerWaalsContact N-OD1 3.11Å; G275-D280 PolarHBondContact N-OD2 3.38Å
281	S	81.5	Confident	79.5	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-169	160.2	179.5	175.6	0	0	0	0	113.1	E218 L271 Y272 R274 E285	E218-S281 WeakPolarHBondContact OE2-CA 3.32Å; L271-S281 WeakPolarHBondContact CA-O 3.23Å; Y272-S281 VanDerWaalsContact CD2-O 3.25Å; Y272-S281 WeakPolarHBondContact CD2-O 3.47Å; Y272-S281 WeakPolarHBondContact CE2-O 3.43Å; Y272-S281 WeakPolarHBondContact CE2-OG 3.47Å; Y272-S281 PolarHBondContact N-O 3.13Å; Y272-S281 PolarHBondContact O-N 3.5Å; R274-S281 VanDerWaalsContact CD-OG 3.22Å; R274-S281 WeakPolarHBondContact CD-OG 3.42Å; R274-S281 PolarHBondContact NE-OG 3.39Å; S281-E285 VanDerWaalsContact CA-OE2 3.28Å; S281-E285 WeakPolarHBondContact CA-OE2 3.49Å; S281-E285 WeakPolarHBondContact CB-OE2 3.1Å; S281-E285 PolarHBondContact OG-OE2 2.94Å
282	S	91.1	Very high	79.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.			trans	-132	168.3	171.9	66.4	0	0	0	0	113.1	Y272 E285 H286	Y272-S282 PolarHBondContact OH-O 3.09Å; S282-E285 PolarHBondContact N-OE2 2.8Å; S282-E285 WeakPolarHBondContact OG-CB 3.38Å; S282-E285 PolarHBondContact OG-N 3.08Å; S282-H286 PolarHBondContact O-N 3.43Å; S282-H286 VanDerWaalsContact O-N 3.15Å
283	G	94	Very high	79.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-37	176.8	0	0	0	0	0	113	W268 Y272 V287 I402	W268-G283 CarbonylContact O-C 3.49Å; W268-G283 WeakPolarHBondContact O-CA 3.47Å; W268-G283 PolarHBondContact O-N 2.96Å; Y272-G283 VanDerWaalsContact OH-CA 3.25Å; Y272-G283 WeakPolarHBondContact OH-CA 3.05Å; Y272-G283 PolarHBondContact OH-N 2.82Å; Y272-G283 VanDerWaalsContact OH-N 3.12Å; G283-V287 WeakPolarHBondContact O-CB 3.36Å; G283-V287 WeakPolarHBondContact O-CG2 3.37Å; G283-V287 PolarHBondContact O-N 3.15Å; G283-V287 VanDerWaalsContact O-N 3.16Å; G283-I402 VanDerWaalsContact CA-O 3.23Å; G283-I402 WeakPolarHBondContact CA-O 3.46Å
284	F	95.6	Very high	80.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-51.4	175.3	-179.5	-82.7	0	0	0	111.4	F203 L206 L207 Y210 F231 W268 F269 H286 V287 F288	F203-F284 AromaticContact CD2-CE2 3.7Å; F203-F284 HydrophobicContact CD2-CE2 3.7Å; F203-F284 AromaticContact CD2-CZ 3.74Å; F203-F284 HydrophobicContact CD2-CZ 3.74Å; F203-F284 AromaticContact CE2-CE2 3.52Å; F203-F284 HydrophobicContact CE2-CE2 3.52Å; F203-F284 AromaticContact CE2-CZ 3.6Å; F203-F284 HydrophobicContact CE2-CZ 3.6Å; F203-F284 HydrophobicContact CZ-CZ 4.39Å; L206-F284 HydrophobicContact CB-CE1 3.68Å; L206-F284 HydrophobicContact CB-CE2 4.48Å; L206-F284 HydrophobicContact CB-CZ 3.6Å; L206-F284 HydrophobicContact CD1-CD2 4.38Å; L206-F284 HydrophobicContact CD1-CE1 4.28Å; L206-F284 HydrophobicContact CD1-CE2 3.75Å; L206-F284 HydrophobicContact CD1-CZ 3.71Å; L206-F284 HydrophobicContact CG-CZ 4.32Å; L207-F284 HydrophobicContact CD2-CE1 4.25Å; L207-F284 HydrophobicContact CD2-CZ 4.42Å; Y210-F284 HydrophobicContact CD2-CD1 4.04Å; Y210-F284 HydrophobicContact CD2-CE1 4.01Å; Y210-F284 AromaticContact CE2-CD1 3.38Å; Y210-F284 HydrophobicContact CE2-CD1 3.38Å; Y210-F284 AromaticContact CE2-CE1 3.6Å; Y210-F284 HydrophobicContact CE2-CE1 3.6Å; Y210-F284 AromaticContact CZ-CD1 3.98Å; F231-F284 HydrophobicContact CE1-CE2 4.45Å; W268-F284 PolarHBondContact O-N 3.04Å; F269-F284 HydrophobicContact CD1-CB 3.7Å; F269-F284 HydrophobicContact CD1-CG 4.07Å; F269-F284 HydrophobicContact CE1-CB 3.48Å; F269-F284 VanDerWaalsContact CE1-CB 3.48Å; F269-F284 AromaticContact CE1-CD1 3.99Å; F269-F284 HydrophobicContact CE1-CD1 3.99Å; F269-F284 AromaticContact CE1-CD2 3.49Å; F269-F284 HydrophobicContact CE1-CD2 3.49Å; F269-F284 VanDerWaalsContact CE1-CD2 3.49Å; F269-F284 HydrophobicContact CE1-CE2 4.21Å; F269-F284 AromaticContact CE1-CG 3.36Å; F269-F284 HydrophobicContact CE1-CG 3.36Å; F269-F284 HydrophobicContact CZ-CB 4.28Å; F269-F284 AromaticContact CZ-CD2 3.7Å; F269-F284 HydrophobicContact CZ-CD2 3.7Å; F269-F284 HydrophobicContact CZ-CE2 4.29Å; F269-F284 HydrophobicContact CZ-CG 4.07Å; F284-H286 PolarHBondContact O-N 2.56Å; F284-V287 PolarHBondContact O-N 3.4Å; F284-F288 AromaticContact CD2-CD2 3.52Å; F284-F288 HydrophobicContact CD2-CD2 3.52Å; F284-F288 HydrophobicContact CD2-CE2 4.09Å; F284-F288 HydrophobicContact CD2-CG 4.34Å; F284-F288 HydrophobicContact CE1-CB 4.3Å; F284-F288 HydrophobicContact CE2-CB 4.29Å; F284-F288 AromaticContact CE2-CD2 3.78Å; F284-F288 HydrophobicContact CE2-CD2 3.78Å; F284-F288 HydrophobicContact CE2-CE2 4.43Å; F284-F288 HydrophobicContact CE2-CG 4.2Å; F284-F288 HydrophobicContact CG-CD2 4.02Å; F284-F288 HydrophobicContact CZ-CB 4.14Å; F284-F288 HydrophobicContact CZ-CD2 4.46Å; F284-F288 WeakPolarHBondContact O-CB 3.31Å; F284-F288 PolarHBondContact O-N 2.91Å
285	E	91.9	Very high	81.3	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.019	21%	0.212	C	C	.	.	I	π-helix	trans	-50.7	-56.5	177.8	176.6	-125.7	-177.6	0	0	110.1	Y210 S281 S282 V287 S289 G290 E291	Y210-E285 HydrophobicContact CD1-CB 3.59Å; Y210-E285 HydrophobicContact CD1-CG 3.58Å; Y210-E285 HydrophobicContact CE1-CB 3.65Å; Y210-E285 HydrophobicContact CE1-CG 4.13Å; Y210-E285 HydrophobicContact CG-CB 4.15Å; Y210-E285 HydrophobicContact CG-CG 4.08Å; S281-E285 VanDerWaalsContact CA-OE2 3.28Å; S281-E285 WeakPolarHBondContact CA-OE2 3.49Å; S281-E285 WeakPolarHBondContact CB-OE2 3.1Å; S281-E285 PolarHBondContact OG-OE2 2.94Å; S282-E285 PolarHBondContact N-OE2 2.8Å; S282-E285 WeakPolarHBondContact OG-CB 3.38Å; S282-E285 PolarHBondContact OG-N 3.08Å; E285-V287 PolarHBondContact O-N 3.04Å; E285-S289 CarbonylContact O-C 3.5Å; E285-S289 WeakPolarHBondContact O-CA 3.39Å; E285-S289 WeakPolarHBondContact O-CB 3.34Å; E285-S289 PolarHBondContact O-N 2.84Å; E285-G290 PolarHBondContact O-N 3.27Å; E285-E291 VanDerWaalsContact OE1-CG 3.32Å; E285-E291 WeakPolarHBondContact OE1-CG 3.42Å
286	H	92.9	Very high	82.6	Confident	13 Å²	13	44.4 Å²	44.4	6%	0.06	22%	0.224	C	C	.	.	I	π-helix	trans	-58.3	-54.5	-179.4	-179.3	74.4	0	0	0	113	R274 S282 F284 E291 G299 F300 A403 T404	R274-H286 PolarHBondContact NH1-CE1 3.48Å; R274-H286 VanDerWaalsContact NH1-CE1 3.29Å; R274-H286 VanDerWaalsContact NH1-CG 3.25Å; R274-H286 PolarHBondContact NH1-ND1 3.36Å; S282-H286 PolarHBondContact O-N 3.43Å; S282-H286 VanDerWaalsContact O-N 3.15Å; F284-H286 PolarHBondContact O-N 2.56Å; H286-E291 IonicContact CE1-OE2 2.76Å; H286-E291 IonicContact CG-OE2 2.77Å; H286-E291 IonicContact ND1-OE2 3.39Å; H286-E291 PolarHBondContact ND1-OE2 2.04Å; H286-G299 WeakPolarHBondContact CE1-CA 3.4Å; H286-G299 PolarHBondContact CE1-N 3.33Å; H286-G299 CarbonylContact O-C 3.58Å; H286-G299 WeakPolarHBondContact O-CA 3.35Å; H286-F300 PolarHBondContact O-N 2.94Å; H286-A403 PolarHBondContact CD2-O 3.15Å; H286-T404 VanDerWaalsContact CD2-CB 3.4Å; H286-T404 WeakPolarHBondContact CD2-CB 3.32Å; H286-T404 PolarHBondContact CD2-OG1 2.95Å; H286-T404 VanDerWaalsContact NE2-CB 3.28Å; H286-T404 WeakPolarHBondContact NE2-CB 3.38Å; H286-T404 PolarHBondContact NE2-OG1 3.03Å
287	V	95.6	Very high	84.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-69.2	-48.9	-171.8	173.7	0	0	0	0	112	W268 G283 F284 E285 H301 Y362 A405	W268-V287 HydrophobicContact CZ3-CB 4.01Å; W268-V287 HydrophobicContact CZ3-CG1 4.25Å; W268-V287 HydrophobicContact CZ3-CG2 3.98Å; G283-V287 WeakPolarHBondContact O-CB 3.36Å; G283-V287 WeakPolarHBondContact O-CG2 3.37Å; G283-V287 PolarHBondContact O-N 3.15Å; G283-V287 VanDerWaalsContact O-N 3.16Å; F284-V287 PolarHBondContact O-N 3.4Å; E285-V287 PolarHBondContact O-N 3.04Å; V287-H301 PolarHBondContact O-N 3.02Å; V287-Y362 HydrophobicContact CG1-CD2 3.93Å; V287-Y362 HydrophobicContact CG1-CE2 3.79Å; V287-A405 HydrophobicContact CG1-CB 4.32Å; V287-A405 HydrophobicContact CG2-CB 4.09Å; V287-A405 VanDerWaalsContact CG2-N 3.32Å
288	F	96.3	Very high	86.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-96.5	-36.7	-168.6	-63.2	-71.8	0	0	0	113.5	F203 L207 W268 F284 N302 R305 E358 F359 Y362	F203-F288 HydrophobicContact CE2-CB 3.99Å; F203-F288 AromaticContact CE2-CD1 3.75Å; F203-F288 HydrophobicContact CE2-CD1 3.75Å; F203-F288 HydrophobicContact CE2-CD2 4.34Å; F203-F288 HydrophobicContact CE2-CE1 4.32Å; F203-F288 AromaticContact CE2-CG 3.77Å; F203-F288 HydrophobicContact CE2-CG 3.77Å; F203-F288 HydrophobicContact CZ-CB 3.79Å; F203-F288 AromaticContact CZ-CD1 3.62Å; F203-F288 HydrophobicContact CZ-CD1 3.62Å; F203-F288 HydrophobicContact CZ-CE1 4.44Å; F203-F288 AromaticContact CZ-CG 3.86Å; F203-F288 HydrophobicContact CZ-CG 3.86Å; L207-F288 HydrophobicContact CD2-CB 4.33Å; W268-F288 HydrophobicContact CE3-CD2 4.48Å; W268-F288 AromaticContact CE3-CE2 3.85Å; W268-F288 HydrophobicContact CE3-CE2 3.85Å; W268-F288 AromaticContact CH2-CE2 3.87Å; W268-F288 HydrophobicContact CH2-CE2 3.87Å; W268-F288 HydrophobicContact CH2-CZ 4.18Å; W268-F288 HydrophobicContact CZ3-CD2 4.16Å; W268-F288 AromaticContact CZ3-CE2 3.41Å; W268-F288 HydrophobicContact CZ3-CE2 3.41Å; W268-F288 VanDerWaalsContact CZ3-CE2 3.41Å; W268-F288 HydrophobicContact CZ3-CZ 4.16Å; F284-F288 AromaticContact CD2-CD2 3.52Å; F284-F288 HydrophobicContact CD2-CD2 3.52Å; F284-F288 HydrophobicContact CD2-CE2 4.09Å; F284-F288 HydrophobicContact CD2-CG 4.34Å; F284-F288 HydrophobicContact CE1-CB 4.3Å; F284-F288 HydrophobicContact CE2-CB 4.29Å; F284-F288 AromaticContact CE2-CD2 3.78Å; F284-F288 HydrophobicContact CE2-CD2 3.78Å; F284-F288 HydrophobicContact CE2-CE2 4.43Å; F284-F288 HydrophobicContact CE2-CG 4.2Å; F284-F288 HydrophobicContact CG-CD2 4.02Å; F284-F288 HydrophobicContact CZ-CB 4.14Å; F284-F288 HydrophobicContact CZ-CD2 4.46Å; F284-F288 WeakPolarHBondContact O-CB 3.31Å; F284-F288 PolarHBondContact O-N 2.91Å; F288-N302 HydrophobicContact CD1-CB 3.99Å; F288-R305 WeakPolarHBondContact O-CB 3.42Å; F288-E358 HydrophobicContact CE1-CB 3.88Å; F288-E358 HydrophobicContact CZ-CB 4.39Å; F288-F359 AromaticContact CE2-CD2 3.89Å; F288-F359 HydrophobicContact CE2-CD2 3.89Å; F288-F359 HydrophobicContact CZ-CB 4.4Å; F288-F359 HydrophobicContact CZ-CD2 4.14Å; F288-Y362 HydrophobicContact CE1-CD2 4.31Å; F288-Y362 HydrophobicContact CE1-CE2 4.22Å; F288-Y362 AromaticContact CZ-CD2 3.97Å; F288-Y362 HydrophobicContact CZ-CD2 3.97Å; F288-Y362 HydrophobicContact CZ-CE2 4.34Å
289	S	93.6	Very high	88	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.007	14%	0.135	C	C	.	.	I	π-helix	trans	-90.7	-45.7	-179.8	-169.5	0	0	0	0	113	Y210 E285 R305	Y210-S289 WeakPolarHBondContact CB-OG 3.34Å; E285-S289 CarbonylContact O-C 3.5Å; E285-S289 WeakPolarHBondContact O-CA 3.39Å; E285-S289 WeakPolarHBondContact O-CB 3.34Å; E285-S289 PolarHBondContact O-N 2.84Å; S289-R305 PolarHBondContact OG-NH1 3.22Å
290	G	91.6	Very high	89.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.			trans	95.1	143.4	-175.9	0	0	0	0	0	114.9	E285 W339	E285-G290 PolarHBondContact O-N 3.27Å; G290-W339 WeakPolarHBondContact O-CH2 3.39Å
291	E	89.8	Confident	90.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.4	178.1	-79.8	180	88.5	0	0	110.2	T214 R274 E285 H286 T298	T214-E291 HydrophobicContact CG2-CB 3.52Å; T214-E291 HydrophobicContact CG2-CG 3.54Å; T214-E291 WeakPolarHBondContact CG2-OE1 3.16Å; R274-E291 VanDerWaalsContact CD-OE1 3.3Å; R274-E291 WeakPolarHBondContact CD-OE1 3.36Å; R274-E291 IonicContact CZ-OE2 3.87Å; R274-E291 IonicContact NE-OE2 3.59Å; R274-E291 IonicContact NH1-OE2 3.09Å; R274-E291 PolarHBondContact NH1-OE2 3.09Å; E285-E291 VanDerWaalsContact OE1-CG 3.32Å; E285-E291 WeakPolarHBondContact OE1-CG 3.42Å; H286-E291 IonicContact CE1-OE2 2.76Å; H286-E291 IonicContact CG-OE2 2.77Å; H286-E291 IonicContact ND1-OE2 3.39Å; H286-E291 PolarHBondContact ND1-OE2 2.04Å; E291-T298 WeakPolarHBondContact CB-OG1 3.13Å; E291-T298 PolarHBondContact N-O 3.42Å; E291-T298 PolarHBondContact O-N 2.62Å; E291-T298 VanDerWaalsContact O-O 3.04Å; E291-T298 PolarHBondContact O-OG1 3.45Å; E291-T298 VanDerWaalsContact O-OG1 3.09Å
292	V	88.1	Confident	91.5	Very high	15 Å²	15	25.7 Å²	25.7	9%	0.091	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109	163	178.2	0	0	0	0	109.8	R212 T214 K296 W339 Y342	R212-V292 HydrophobicContact CB-CG2 4.3Å; R212-V292 HydrophobicContact CG-CG2 4.36Å; R212-V292 WeakPolarHBondContact O-CB 3.42Å; R212-V292 PolarHBondContact O-N 3.32Å; T214-V292 PolarHBondContact OG1-O 3.29Å; V292-K296 WeakPolarHBondContact CA-O 3.42Å; V292-W339 HydrophobicContact CG2-CE3 3.86Å; V292-W339 HydrophobicContact CG2-CZ3 4Å; V292-Y342 HydrophobicContact CB-CD2 4.33Å; V292-Y342 HydrophobicContact CG1-CD1 3.62Å; V292-Y342 HydrophobicContact CG1-CD2 3.68Å; V292-Y342 HydrophobicContact CG1-CE1 3.79Å; V292-Y342 HydrophobicContact CG1-CE2 3.84Å; V292-Y342 HydrophobicContact CG1-CG 3.55Å; V292-Y342 HydrophobicContact CG2-CD2 3.73Å; V292-Y342 HydrophobicContact CG2-CE2 4.28Å; V292-Y342 HydrophobicContact CG2-CG 4.09Å
293	K	82.8	Confident	91.8	Very high	56 Å²	56	25.7 Å²	25.7	24%	0.243	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.2	-175.9	-166.1	159.9	-165.9	141.6	0	112.1	T214 R274 G295 K296 T298	T214-K293 HydrophobicContact CG2-CB 4.45Å; R274-K293 PolarHBondContact O-NZ 2.63Å; K293-G295 PolarHBondContact O-N 2.79Å; K293-K296 PolarHBondContact N-O 2.72Å; K293-K296 PolarHBondContact O-N 3.1Å; K293-K296 VanDerWaalsContact O-N 3.1Å; K293-T298 HydrophobicContact CB-CG2 4.22Å
294	K	84.1	Confident	92	Very high	208 Å²	208	25.7 Å²	25.7	90%	0.904	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	38.3	-177.1	-59.1	-175.3	178.8	-177.4	0	113.3
295	G	85.3	Confident	92.1	Very high	45 Å²	45	26.9 Å²	26.9	46%	0.464	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	19.5	179.7	0	0	0	0	0	115.3	K293	K293-G295 PolarHBondContact O-N 2.79Å
296	K	86.6	Confident	92.4	Very high	124 Å²	124	26.9 Å²	26.9	54%	0.539	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.7	172.7	-67.6	-165	170.6	-157.5	0	111	V292 K293 T298	V292-K296 WeakPolarHBondContact CA-O 3.42Å; K293-K296 PolarHBondContact N-O 2.72Å; K293-K296 PolarHBondContact O-N 3.1Å; K293-K296 VanDerWaalsContact O-N 3.1Å; K296-T298 PolarHBondContact O-N 3.48Å
297	V	91.5	Very high	92.7	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.055	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.2	170.7	-174.3	0	0	0	0	109.7	F300 F337 W339 Y342 K344	V297-F300 HydrophobicContact CG1-CB 3.97Å; V297-F300 HydrophobicContact CG1-CD1 4.32Å; V297-F337 HydrophobicContact CG1-CE2 4.47Å; V297-W339 HydrophobicContact CG1-CE3 3.91Å; V297-W339 HydrophobicContact CG1-CZ3 4.38Å; V297-W339 HydrophobicContact CG2-CB 3.95Å; V297-W339 HydrophobicContact CG2-CE3 4.12Å; V297-Y342 VanDerWaalsContact CG2-O 3.28Å; V297-Y342 WeakPolarHBondContact CG2-O 3.28Å; V297-K344 HydrophobicContact CB-CB 3.97Å; V297-K344 HydrophobicContact CB-CD 4.4Å; V297-K344 HydrophobicContact CB-CG 4.14Å; V297-K344 HydrophobicContact CG1-CD 4.13Å; V297-K344 HydrophobicContact CG1-CG 4.42Å; V297-K344 HydrophobicContact CG2-CB 4.39Å
298	T	88.7	Confident	92.7	Very high	43 Å²	43	29.4 Å²	29.4	26%	0.264	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.3	176.8	56.3	0	0	0	0	109.2	E291 K293 K296	E291-T298 WeakPolarHBondContact CB-OG1 3.13Å; E291-T298 PolarHBondContact N-O 3.42Å; E291-T298 PolarHBondContact O-N 2.62Å; E291-T298 VanDerWaalsContact O-O 3.04Å; E291-T298 PolarHBondContact O-OG1 3.45Å; E291-T298 VanDerWaalsContact O-OG1 3.09Å; K293-T298 HydrophobicContact CB-CG2 4.22Å; K296-T298 PolarHBondContact O-N 3.48Å
299	G	92.8	Very high	92.8	Very high	4 Å²	4	30.3 Å²	30.3	4%	0.041	15%	0.152	C	C	.	.			trans	72	-146.8	-166.6	0	0	0	0	0	110.9	H286 H301 K344	H286-G299 WeakPolarHBondContact CE1-CA 3.4Å; H286-G299 PolarHBondContact CE1-N 3.33Å; H286-G299 CarbonylContact O-C 3.58Å; H286-G299 WeakPolarHBondContact O-CA 3.35Å; G299-H301 PolarHBondContact O-CD2 3.27Å; G299-H301 PolarHBondContact O-NE2 3.31Å; G299-K344 PolarHBondContact O-NZ 3.48Å
300	F	95.6	Very high	93	Very high	3 Å²	3	31 Å²	31	1%	0.013	16%	0.156	C	C	.	.			trans	61.4	77	-175.9	-155.5	143.7	0	0	0	111.5	H286 V297 R305 F306 E309 V315 F337 W339	H286-F300 PolarHBondContact O-N 2.94Å; V297-F300 HydrophobicContact CG1-CB 3.97Å; V297-F300 HydrophobicContact CG1-CD1 4.32Å; F300-R305 HydrophobicContact CE1-CG 4.26Å; F300-R305 HydrophobicContact CE2-CB 4.15Å; F300-R305 HydrophobicContact CE2-CG 4Å; F300-R305 HydrophobicContact CZ-CB 4.41Å; F300-R305 HydrophobicContact CZ-CG 3.82Å; F300-F306 HydrophobicContact CE2-CB 3.93Å; F300-F306 HydrophobicContact CE2-CD2 4.16Å; F300-F306 HydrophobicContact CE2-CG 4.46Å; F300-E309 HydrophobicContact CE1-CG 4.36Å; F300-E309 HydrophobicContact CZ-CB 4.41Å; F300-E309 HydrophobicContact CZ-CG 4.13Å; F300-V315 HydrophobicContact CE1-CG2 4.04Å; F300-V315 HydrophobicContact CZ-CG2 3.87Å; F300-F337 HydrophobicContact CB-CZ 4.28Å; F300-F337 HydrophobicContact CD1-CE2 4.02Å; F300-F337 HydrophobicContact CD1-CZ 4.3Å; F300-F337 HydrophobicContact CD2-CE2 4.25Å; F300-F337 AromaticContact CD2-CZ 3.83Å; F300-F337 HydrophobicContact CD2-CZ 3.83Å; F300-F337 HydrophobicContact CE1-CE2 4.13Å; F300-F337 HydrophobicContact CE2-CE2 4.37Å; F300-F337 HydrophobicContact CE2-CZ 4.22Å; F300-F337 HydrophobicContact CG-CE2 4.09Å; F300-F337 AromaticContact CG-CZ 3.89Å; F300-F337 HydrophobicContact CG-CZ 3.89Å; F300-F337 HydrophobicContact CZ-CE2 4.32Å; F300-W339 AromaticContact CD1-CD2 3.82Å; F300-W339 HydrophobicContact CD1-CD2 3.82Å; F300-W339 AromaticContact CD1-CE3 3.67Å; F300-W339 HydrophobicContact CD1-CE3 3.67Å; F300-W339 HydrophobicContact CD1-CG 4.43Å; F300-W339 AromaticContact CD1-CH2 3.97Å; F300-W339 HydrophobicContact CD1-CH2 3.97Å; F300-W339 HydrophobicContact CD1-CZ2 4.17Å; F300-W339 AromaticContact CD1-CZ3 3.76Å; F300-W339 HydrophobicContact CD1-CZ3 3.76Å; F300-W339 AromaticContact CE1-CD2 3.66Å; F300-W339 HydrophobicContact CE1-CD2 3.66Å; F300-W339 AromaticContact CE1-CE2 3.64Å; F300-W339 HydrophobicContact CE1-CE3 4.03Å; F300-W339 AromaticContact CE1-CG 3.99Å; F300-W339 HydrophobicContact CE1-CG 3.99Å; F300-W339 HydrophobicContact CE1-CH2 4.22Å; F300-W339 AromaticContact CE1-CZ2 3.93Å; F300-W339 HydrophobicContact CE1-CZ2 3.93Å; F300-W339 HydrophobicContact CE1-CZ3 4.3Å
301	H	95.6	Very high	93.2	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.065	18%	0.177	C	C	.	.			trans	-125.9	21.8	-175.6	-71.2	-77.8	0	0	0	113.9	V287 G299 S348 A349	V287-H301 PolarHBondContact O-N 3.02Å; G299-H301 PolarHBondContact O-CD2 3.27Å; G299-H301 PolarHBondContact O-NE2 3.31Å; H301-S348 PolarHBondContact ND1-O 2.92Å; H301-A349 WeakPolarHBondContact O-CA 3.42Å; H301-A349 WeakPolarHBondContact O-CB 3.41Å
302	N	97.6	Very high	93.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-126	135.9	-173.4	177.6	-96.3	0	0	0	113	F203 F288 I304 R305 F306 E358	F203-N302 WeakPolarHBondContact CE1-OD1 3.34Å; F288-N302 HydrophobicContact CD1-CB 3.99Å; N302-I304 WeakPolarHBondContact OD1-CA 2.94Å; N302-I304 WeakPolarHBondContact OD1-CB 3.03Å; N302-I304 PolarHBondContact OD1-N 2.73Å; N302-R305 PolarHBondContact OD1-N 3.07Å; N302-R305 VanDerWaalsContact OD1-N 3.09Å; N302-F306 PolarHBondContact O-N 3.44Å; N302-F306 VanDerWaalsContact O-N 3.13Å; N302-E358 PolarHBondContact ND2-OE1 2.69Å; N302-E358 PolarHBondContact ND2-OE2 2.9Å
303	W	98.3	Very high	93.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-73.7	-27.7	-176.7	74.9	-87.8	0	0	0	114.7	I162 F187 V190 L194 F195 Y200 F306 Y307 F350 I351 S353	I162-W303 HydrophobicContact CD1-CD2 4.45Å; I162-W303 HydrophobicContact CD1-CE3 4.03Å; I162-W303 HydrophobicContact CD1-CH2 3.62Å; I162-W303 HydrophobicContact CD1-CZ2 4.06Å; I162-W303 HydrophobicContact CD1-CZ3 3.61Å; I162-W303 HydrophobicContact CG1-CH2 4.46Å; I162-W303 HydrophobicContact CG1-CZ3 4.38Å; F187-W303 HydrophobicContact CE1-CE3 4.02Å; F187-W303 HydrophobicContact CZ-CB 4.16Å; F187-W303 HydrophobicContact CZ-CE3 4.31Å; V190-W303 HydrophobicContact CG1-CH2 4.49Å; V190-W303 HydrophobicContact CG1-CZ3 4.13Å; L194-W303 HydrophobicContact CD1-CH2 4.08Å; F195-W303 HydrophobicContact CE1-CH2 4.15Å; F195-W303 HydrophobicContact CE1-CZ3 4.37Å; Y200-W303 HydrophobicContact CE1-CH2 4.27Å; Y200-W303 AromaticContact CE1-CZ2 3.78Å; Y200-W303 HydrophobicContact CE1-CZ2 3.78Å; W303-F306 PolarHBondContact O-N 3.07Å; W303-Y307 WeakPolarHBondContact O-CB 3.34Å; W303-Y307 PolarHBondContact O-N 2.71Å; W303-F350 VanDerWaalsContact CB-O 3.32Å; W303-F350 WeakPolarHBondContact CB-O 3.4Å; W303-I351 HydrophobicContact CB-CD1 3.95Å; W303-S353 VanDerWaalsContact CD1-OG 3.3Å; W303-S353 PolarHBondContact NE1-O 3.3Å; W303-S353 PolarHBondContact NE1-OG 2.98Å
304	I	98.3	Very high	94.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.8	-44.9	179.6	-54	165.8	0	0	0	108.6	F195 Y200 F203 I204 N302 F306 Y307 L308 P355	F195-I304 HydrophobicContact CE1-CG2 4.09Å; Y200-I304 HydrophobicContact CD1-CD1 3.57Å; Y200-I304 HydrophobicContact CD1-CG1 4.36Å; Y200-I304 HydrophobicContact CE1-CD1 3.62Å; Y200-I304 HydrophobicContact CE1-CG1 4.24Å; F203-I304 HydrophobicContact CD1-CD1 3.82Å; F203-I304 HydrophobicContact CE1-CB 4.16Å; F203-I304 HydrophobicContact CE1-CD1 3.84Å; I204-I304 HydrophobicContact CD1-CG2 3.96Å; I204-I304 HydrophobicContact CG1-CG2 3.8Å; N302-I304 WeakPolarHBondContact OD1-CA 2.94Å; N302-I304 WeakPolarHBondContact OD1-CB 3.03Å; N302-I304 PolarHBondContact OD1-N 2.73Å; I304-F306 VanDerWaalsContact C-N 3.35Å; I304-Y307 PolarHBondContact O-N 2.79Å; I304-L308 HydrophobicContact CG2-CD1 4.08Å; I304-L308 VanDerWaalsContact O-CG 3.28Å; I304-L308 WeakPolarHBondContact O-CG 3.3Å; I304-L308 PolarHBondContact O-N 2.82Å; I304-L308 VanDerWaalsContact O-N 3.08Å; I304-P355 HydrophobicContact CD1-CG 3.84Å
305	R	97.3	Very high	95.2	Very high	25 Å²	25	35.8 Å²	35.8	9%	0.094	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-42.6	172.2	-172.4	58.7	-179.7	-128.6	22.8	111.5	L207 F288 S289 F300 N302 Y307 L308 E309	L207-R305 HydrophobicContact CD1-CB 3.98Å; L207-R305 HydrophobicContact CD2-CB 4.3Å; L207-R305 HydrophobicContact CD2-CG 4.49Å; L207-R305 PolarHBondContact O-NH1 3.08Å; F288-R305 WeakPolarHBondContact O-CB 3.42Å; S289-R305 PolarHBondContact OG-NH1 3.22Å; F300-R305 HydrophobicContact CE1-CG 4.26Å; F300-R305 HydrophobicContact CE2-CB 4.15Å; F300-R305 HydrophobicContact CE2-CG 4Å; F300-R305 HydrophobicContact CZ-CB 4.41Å; F300-R305 HydrophobicContact CZ-CG 3.82Å; N302-R305 PolarHBondContact OD1-N 3.07Å; N302-R305 VanDerWaalsContact OD1-N 3.09Å; R305-Y307 PolarHBondContact O-N 3.37Å; R305-L308 PolarHBondContact O-N 3.41Å; R305-E309 HydrophobicContact CG-CG 4.24Å; R305-E309 IonicContact CZ-OE1 3.69Å; R305-E309 IonicContact NE-OE1 2.86Å; R305-E309 PolarHBondContact NE-OE1 3.46Å; R305-E309 IonicContact NH2-OE1 3.67Å; R305-E309 PolarHBondContact NH2-OE1 2.92Å; R305-E309 WeakPolarHBondContact O-CB 3.19Å; R305-E309 VanDerWaalsContact O-CG 3.23Å; R305-E309 WeakPolarHBondContact O-CG 3.34Å; R305-E309 PolarHBondContact O-N 3.43Å
306	F	97.9	Very high	95.7	Very high	3 Å²	3	37 Å²	37	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-50.5	176.8	-164.9	-73.4	0	0	0	111.8	L186 F187 F300 N302 W303 I304 L308 E309 E310 V315 Y317 M335 F337	L186-F306 HydrophobicContact CB-CE1 4.24Å; L186-F306 HydrophobicContact CD2-CE1 3.95Å; L186-F306 HydrophobicContact CD2-CZ 4.21Å; F187-F306 AromaticContact CD2-CD1 3.93Å; F187-F306 HydrophobicContact CD2-CD1 3.93Å; F187-F306 HydrophobicContact CD2-CE1 4.31Å; F187-F306 AromaticContact CE2-CD1 3.57Å; F187-F306 HydrophobicContact CE2-CD1 3.57Å; F187-F306 HydrophobicContact CE2-CE1 4.17Å; F187-F306 HydrophobicContact CE2-CG 4.32Å; F300-F306 HydrophobicContact CE2-CB 3.93Å; F300-F306 HydrophobicContact CE2-CD2 4.16Å; F300-F306 HydrophobicContact CE2-CG 4.46Å; N302-F306 PolarHBondContact O-N 3.44Å; N302-F306 VanDerWaalsContact O-N 3.13Å; W303-F306 PolarHBondContact O-N 3.07Å; I304-F306 VanDerWaalsContact C-N 3.35Å; F306-L308 PolarHBondContact O-N 2.83Å; F306-E309 PolarHBondContact O-N 2.85Å; F306-E310 HydrophobicContact CD1-CB 4.3Å; F306-E310 HydrophobicContact CE1-CB 4.27Å; F306-E310 WeakPolarHBondContact O-CB 3.17Å; F306-E310 PolarHBondContact O-N 3.17Å; F306-V315 HydrophobicContact CD1-CG1 4.1Å; F306-V315 HydrophobicContact CD2-CG1 4.09Å; F306-V315 HydrophobicContact CE1-CG1 3.64Å; F306-V315 HydrophobicContact CE2-CG1 3.62Å; F306-V315 HydrophobicContact CG-CG1 4.32Å; F306-V315 HydrophobicContact CZ-CG1 3.38Å; F306-Y317 HydrophobicContact CZ-CD2 4.29Å; F306-M335 HydrophobicContact CD2-CE 4.46Å; F306-M335 HydrophobicContact CD2-SD 3.86Å; F306-M335 HydrophobicContact CE2-CE 4.49Å; F306-M335 HydrophobicContact CE2-CG 4.42Å; F306-M335 HydrophobicContact CE2-SD 3.35Å; F306-M335 WeakPolarHBondContact CE2-SD 3.3Å; F306-M335 HydrophobicContact CZ-SD 3.74Å; F306-F337 HydrophobicContact CD2-CD1 4.32Å; F306-F337 HydrophobicContact CD2-CE1 4.14Å; F306-F337 HydrophobicContact CD2-CZ 4.29Å; F306-F337 HydrophobicContact CE2-CB 4.01Å; F306-F337 AromaticContact CE2-CD1 3.58Å; F306-F337 HydrophobicContact CE2-CD1 3.58Å; F306-F337 HydrophobicContact CE2-CD2 4.19Å; F306-F337 AromaticContact CE2-CE1 3.87Å; F306-F337 HydrophobicContact CE2-CE1 3.87Å; F306-F337 HydrophobicContact CE2-CE2 4.48Å; F306-F337 AromaticContact CE2-CG 3.72Å; F306-F337 HydrophobicContact CE2-CG 3.72Å; F306-F337 HydrophobicContact CE2-CZ 4.31Å; F306-F337 HydrophobicContact CZ-CB 4.28Å; F306-F337 HydrophobicContact CZ-CG 4.47Å
307	Y	98.4	Very high	96.3	Very high	25 Å²	25	31 Å²	31	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-45.8	-179.1	173.8	-108.9	0	0	0	112.3	F187 V190 E192 F195 W303 I304 R305 E310 K311	F187-Y307 HydrophobicContact CB-CD2 3.5Å; F187-Y307 VanDerWaalsContact CB-CD2 3.5Å; F187-Y307 HydrophobicContact CB-CE2 3.91Å; F187-Y307 HydrophobicContact CD1-CD2 4.06Å; F187-Y307 HydrophobicContact CD2-CD2 4.27Å; F187-Y307 AromaticContact CG-CD2 3.69Å; F187-Y307 HydrophobicContact CG-CD2 3.69Å; F187-Y307 HydrophobicContact CG-CG 4.48Å; V190-Y307 HydrophobicContact CB-CD1 4.41Å; V190-Y307 HydrophobicContact CB-CD2 4.3Å; V190-Y307 HydrophobicContact CB-CE1 4.02Å; V190-Y307 HydrophobicContact CB-CE2 3.9Å; V190-Y307 HydrophobicContact CG1-CE1 4.35Å; V190-Y307 HydrophobicContact CG2-CD1 4.26Å; V190-Y307 HydrophobicContact CG2-CD2 3.51Å; V190-Y307 HydrophobicContact CG2-CE1 4.25Å; V190-Y307 HydrophobicContact CG2-CE2 3.49Å; V190-Y307 VanDerWaalsContact CG2-CE2 3.49Å; V190-Y307 HydrophobicContact CG2-CG 3.9Å; E192-Y307 HydrophobicContact CG-CE1 4.48Å; E192-Y307 WeakPolarHBondContact OE1-CE1 3.49Å; F195-Y307 AromaticContact CE2-CD1 3.94Å; F195-Y307 HydrophobicContact CE2-CD1 3.94Å; F195-Y307 AromaticContact CE2-CE1 3.81Å; F195-Y307 HydrophobicContact CE2-CE1 3.81Å; F195-Y307 AromaticContact CZ-CD1 3.7Å; F195-Y307 HydrophobicContact CZ-CD1 3.7Å; F195-Y307 AromaticContact CZ-CE1 3.98Å; F195-Y307 HydrophobicContact CZ-CE1 3.98Å; W303-Y307 WeakPolarHBondContact O-CB 3.34Å; W303-Y307 PolarHBondContact O-N 2.71Å; I304-Y307 PolarHBondContact O-N 2.79Å; R305-Y307 PolarHBondContact O-N 3.37Å; Y307-E310 PolarHBondContact O-N 2.76Å; Y307-K311 HydrophobicContact CE1-CD 4.16Å; Y307-K311 WeakPolarHBondContact O-CB 3.35Å; Y307-K311 PolarHBondContact O-N 2.86Å
308	L	97.5	Very high	96.5	Very high	41 Å²	41	32.1 Å²	32.1	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-41.8	-179.8	-67.1	171.6	0	0	0	111.6	F195 I204 I304 R305 F306 E312	F195-L308 HydrophobicContact CE2-CD2 4.48Å; I204-L308 HydrophobicContact CG1-CD1 4.23Å; I204-L308 HydrophobicContact CG2-CD1 4.23Å; I304-L308 HydrophobicContact CG2-CD1 4.08Å; I304-L308 VanDerWaalsContact O-CG 3.28Å; I304-L308 WeakPolarHBondContact O-CG 3.3Å; I304-L308 PolarHBondContact O-N 2.82Å; I304-L308 VanDerWaalsContact O-N 3.08Å; R305-L308 PolarHBondContact O-N 3.41Å; F306-L308 PolarHBondContact O-N 2.83Å; L308-E312 WeakPolarHBondContact O-CG 3.43Å; L308-E312 PolarHBondContact O-N 3.38Å
309	E	97.1	Very high	96.8	Very high	19 Å²	19	30 Å²	30	9%	0.089	16%	0.159	C	C	.	.	H	α-helix	trans	-72.3	-36.1	177.6	-63.5	-79.6	154.1	0	0	112.9	F300 R305 F306 E312 G313 L314 V315 W339	F300-E309 HydrophobicContact CE1-CG 4.36Å; F300-E309 HydrophobicContact CZ-CB 4.41Å; F300-E309 HydrophobicContact CZ-CG 4.13Å; R305-E309 HydrophobicContact CG-CG 4.24Å; R305-E309 IonicContact CZ-OE1 3.69Å; R305-E309 IonicContact NE-OE1 2.86Å; R305-E309 PolarHBondContact NE-OE1 3.46Å; R305-E309 IonicContact NH2-OE1 3.67Å; R305-E309 PolarHBondContact NH2-OE1 2.92Å; R305-E309 WeakPolarHBondContact O-CB 3.19Å; R305-E309 VanDerWaalsContact O-CG 3.23Å; R305-E309 WeakPolarHBondContact O-CG 3.34Å; R305-E309 PolarHBondContact O-N 3.43Å; F306-E309 PolarHBondContact O-N 2.85Å; E309-E312 PolarHBondContact O-N 3.35Å; E309-G313 PolarHBondContact O-N 2.98Å; E309-L314 HydrophobicContact CB-CB 4.36Å; E309-L314 WeakPolarHBondContact O-CA 3.38Å; E309-L314 PolarHBondContact O-N 2.88Å; E309-L314 VanDerWaalsContact OE2-CB 3.32Å; E309-L314 WeakPolarHBondContact OE2-CB 3.33Å; E309-L314 VanDerWaalsContact OE2-CD1 3.29Å; E309-L314 WeakPolarHBondContact OE2-CD1 3.44Å; E309-V315 HydrophobicContact CB-CB 4Å; E309-V315 HydrophobicContact CB-CG2 3.53Å; E309-V315 HydrophobicContact CG-CG2 4.43Å; E309-V315 PolarHBondContact O-N 2.94Å; E309-V315 VanDerWaalsContact O-N 3.12Å; E309-W339 PolarHBondContact OE2-NE1 3.29Å
310	E	97.8	Very high	97	Very high	17 Å²	17	30.6 Å²	30.6	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-38.9	174.8	-176.9	176.2	-109.9	0	0	110.8	P185 L186 F187 F306 Y307 E312 G313 V315	P185-E310 WeakPolarHBondContact CA-OE1 3.39Å; P185-E310 HydrophobicContact CB-CG 4.11Å; L186-E310 WeakPolarHBondContact CB-OE1 3.35Å; L186-E310 VanDerWaalsContact N-CD 3.34Å; L186-E310 PolarHBondContact N-OE1 3.04Å; L186-E310 PolarHBondContact N-OE2 3.16Å; F187-E310 WeakPolarHBondContact CB-OE2 3.33Å; F187-E310 WeakPolarHBondContact CD2-OE2 3.45Å; F187-E310 PolarHBondContact N-OE2 3.15Å; F306-E310 HydrophobicContact CD1-CB 4.3Å; F306-E310 HydrophobicContact CE1-CB 4.27Å; F306-E310 WeakPolarHBondContact O-CB 3.17Å; F306-E310 PolarHBondContact O-N 3.17Å; Y307-E310 PolarHBondContact O-N 2.76Å; E310-E312 VanDerWaalsContact C-N 3.35Å; E310-E312 PolarHBondContact O-N 3.03Å; E310-G313 PolarHBondContact O-N 2.85Å; E310-V315 HydrophobicContact CB-CB 4.27Å; E310-V315 HydrophobicContact CB-CG1 4.34Å
311	K	96.9	Very high	96.9	Very high	102 Å²	102	31.3 Å²	31.3	44%	0.443	17%	0.165	S	C	.	.	H	α-helix	trans	-62.9	-37.6	176.6	-175.9	-175	-177.5	-176.2	0	112.9	E192 Y307 G313	E192-K311 IonicContact OE1-NZ 2.63Å; E192-K311 PolarHBondContact OE1-NZ 3.35Å; E192-K311 IonicContact OE2-NZ 2.69Å; E192-K311 PolarHBondContact OE2-NZ 3.05Å; Y307-K311 HydrophobicContact CE1-CD 4.16Å; Y307-K311 WeakPolarHBondContact O-CB 3.35Å; Y307-K311 PolarHBondContact O-N 2.86Å; K311-G313 VanDerWaalsContact C-N 3.26Å
312	E	96.1	Very high	96.9	Very high	145 Å²	145	33.1 Å²	33.1	68%	0.678	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	0.4	173.8	-62.3	-59.3	130.8	0	0	113.1	L308 E309 E310 L314	L308-E312 WeakPolarHBondContact O-CG 3.43Å; L308-E312 PolarHBondContact O-N 3.38Å; E309-E312 PolarHBondContact O-N 3.35Å; E310-E312 VanDerWaalsContact C-N 3.35Å; E310-E312 PolarHBondContact O-N 3.03Å; E312-L314 VanDerWaalsContact C-N 3.31Å; E312-L314 HydrophobicContact CB-CD1 4.38Å; E312-L314 HydrophobicContact CB-CG 4.35Å; E312-L314 PolarHBondContact O-N 2.86Å
313	G	96.3	Very high	96.7	Very high	64 Å²	64	36.4 Å²	36.4	66%	0.66	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	17.6	179.6	0	0	0	0	0	114.7	E309 E310 K311	E309-G313 PolarHBondContact O-N 2.98Å; E310-G313 PolarHBondContact O-N 2.85Å; K311-G313 VanDerWaalsContact C-N 3.26Å
314	L	96	Very high	96.3	Very high	60 Å²	60	37.3 Å²	37.3	31%	0.314	20%	0.198	S	C	.	.			trans	-90	-25.9	178	-63.1	175.7	0	0	0	112.5	E309 E312 W339 D340	E309-L314 HydrophobicContact CB-CB 4.36Å; E309-L314 WeakPolarHBondContact O-CA 3.38Å; E309-L314 PolarHBondContact O-N 2.88Å; E309-L314 VanDerWaalsContact OE2-CB 3.32Å; E309-L314 WeakPolarHBondContact OE2-CB 3.33Å; E309-L314 VanDerWaalsContact OE2-CD1 3.29Å; E309-L314 WeakPolarHBondContact OE2-CD1 3.44Å; E312-L314 VanDerWaalsContact C-N 3.31Å; E312-L314 HydrophobicContact CB-CD1 4.38Å; E312-L314 HydrophobicContact CB-CG 4.35Å; E312-L314 PolarHBondContact O-N 2.86Å; L314-W339 CarbonylContact O-C 3.4Å; L314-W339 WeakPolarHBondContact O-CA 3.31Å; L314-D340 HydrophobicContact CD2-CB 4.31Å; L314-D340 PolarHBondContact O-N 2.63Å
315	V	97.3	Very high	96	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.3	170.7	162.8	0	0	0	0	111	F300 F306 E309 E310 F337 N338 W339	F300-V315 HydrophobicContact CE1-CG2 4.04Å; F300-V315 HydrophobicContact CZ-CG2 3.87Å; F306-V315 HydrophobicContact CD1-CG1 4.1Å; F306-V315 HydrophobicContact CD2-CG1 4.09Å; F306-V315 HydrophobicContact CE1-CG1 3.64Å; F306-V315 HydrophobicContact CE2-CG1 3.62Å; F306-V315 HydrophobicContact CG-CG1 4.32Å; F306-V315 HydrophobicContact CZ-CG1 3.38Å; E309-V315 HydrophobicContact CB-CB 4Å; E309-V315 HydrophobicContact CB-CG2 3.53Å; E309-V315 HydrophobicContact CG-CG2 4.43Å; E309-V315 PolarHBondContact O-N 2.94Å; E309-V315 VanDerWaalsContact O-N 3.12Å; E310-V315 HydrophobicContact CB-CB 4.27Å; E310-V315 HydrophobicContact CB-CG1 4.34Å; V315-F337 HydrophobicContact CG1-CB 4.24Å; V315-F337 HydrophobicContact CG1-CD2 4.16Å; V315-F337 HydrophobicContact CG1-CG 4.45Å; V315-F337 HydrophobicContact CG2-CD2 4.31Å; V315-N338 WeakPolarHBondContact CA-O 3.45Å; V315-W339 HydrophobicContact CG2-CB 4.14Å; V315-W339 HydrophobicContact CG2-CG 4.04Å
316	D	97.3	Very high	95.9	Very high	70 Å²	70	39.9 Å²	39.9	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.2	178	-174.8	19.3	0	0	0	109.7	Y318 F337 N338	D316-Y318 HydrophobicContact CB-CE1 4.23Å; D316-Y318 WeakPolarHBondContact O-CD1 3.2Å; D316-Y318 WeakPolarHBondContact OD2-CE1 3.25Å; D316-F337 CarbonylContact O-C 3.5Å; D316-F337 WeakPolarHBondContact O-CA 3.35Å; D316-F337 VanDerWaalsContact O-CB 3.26Å; D316-F337 WeakPolarHBondContact O-CB 3.25Å; D316-N338 HydrophobicContact CB-CB 4.28Å; D316-N338 PolarHBondContact N-O 2.81Å; D316-N338 PolarHBondContact O-N 3.37Å
317	Y	97.6	Very high	95.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.7	-172.9	168.9	-104.2	0	0	0	111.5	S166 C182 L186 F306 S319 H320 L333 M335	S166-Y317 PolarHBondContact O-OH 2.89Å; C182-Y317 HydrophobicContact CB-CD1 3.54Å; C182-Y317 HydrophobicContact CB-CE1 3.57Å; C182-Y317 WeakPolarHBondContact CB-O 3.32Å; C182-Y317 VanDerWaalsContact O-O 3.1Å; L186-Y317 HydrophobicContact CB-CD1 4.04Å; L186-Y317 HydrophobicContact CB-CD2 4.11Å; L186-Y317 HydrophobicContact CB-CG 3.79Å; L186-Y317 HydrophobicContact CD1-CD2 4.48Å; L186-Y317 HydrophobicContact CD1-CE1 4.2Å; L186-Y317 HydrophobicContact CD1-CE2 4.16Å; L186-Y317 HydrophobicContact CD2-CD2 3.93Å; L186-Y317 HydrophobicContact CD2-CE2 4.07Å; L186-Y317 HydrophobicContact CD2-CG 4.47Å; L186-Y317 HydrophobicContact CG-CD2 4.4Å; F306-Y317 HydrophobicContact CZ-CD2 4.29Å; Y317-S319 WeakPolarHBondContact CE2-O 3.4Å; Y317-H320 WeakPolarHBondContact OH-CB 3.47Å; Y317-H320 PolarHBondContact OH-N 2.96Å; Y317-H320 PolarHBondContact OH-ND1 3.42Å; Y317-L333 HydrophobicContact CE2-CD2 4.47Å; Y317-M335 HydrophobicContact CD2-CB 4.22Å; Y317-M335 HydrophobicContact CD2-SD 4.34Å; Y317-M335 HydrophobicContact CE2-CB 3.77Å; Y317-M335 HydrophobicContact CE2-SD 4.46Å
318	Y	96.4	Very high	95.2	Very high	31 Å²	31	46.1 Å²	46.1	12%	0.122	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-38.7	-172.1	-81	27.3	0	0	0	113.9	Q178 D180 R181 C182 D316 Q336 N338 Y343	Q178-Y318 WeakPolarHBondContact O-CE2 3.24Å; D180-Y318 HydrophobicContact CB-CD1 4.07Å; D180-Y318 HydrophobicContact CB-CD2 4.44Å; D180-Y318 HydrophobicContact CB-CE1 4.19Å; D180-Y318 HydrophobicContact CB-CG 4.21Å; R181-Y318 PolarHBondContact N-O 3.21Å; C182-Y318 WeakPolarHBondContact CB-O 3.16Å; C182-Y318 PolarHBondContact N-O 3Å; C182-Y318 PolarHBondContact SG-O 3.42Å; D316-Y318 HydrophobicContact CB-CE1 4.23Å; D316-Y318 WeakPolarHBondContact O-CD1 3.2Å; D316-Y318 WeakPolarHBondContact OD2-CE1 3.25Å; Y318-Q336 PolarHBondContact N-O 3.33Å; Y318-N338 HydrophobicContact CE1-CB 3.72Å; Y318-N338 PolarHBondContact OH-ND2 2.87Å; Y318-Y343 HydrophobicContact CD2-CD2 4.21Å; Y318-Y343 AromaticContact CD2-CE2 3.63Å; Y318-Y343 HydrophobicContact CD2-CE2 3.63Å; Y318-Y343 AromaticContact CE2-CD2 3.99Å; Y318-Y343 HydrophobicContact CE2-CD2 3.99Å; Y318-Y343 AromaticContact CE2-CE2 3.83Å; Y318-Y343 HydrophobicContact CE2-CE2 3.83Å; Y318-Y343 HydrophobicContact CG-CE2 4.48Å
319	S	95.8	Very high	95.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	171.6	179.2	55.1	0	0	0	0	112.4	N168 I170 Y317 M335 Q336	N168-S319 WeakPolarHBondContact O-CB 3.12Å; I170-S319 WeakPolarHBondContact CD1-OG 3.43Å; Y317-S319 WeakPolarHBondContact CE2-O 3.4Å; S319-M335 CarbonylContact O-C 3.52Å; S319-M335 VanDerWaalsContact O-CA 3.32Å; S319-M335 WeakPolarHBondContact O-CA 3.48Å; S319-Q336 PolarHBondContact O-N 3.45Å; S319-Q336 WeakPolarHBondContact OG-CG 3.44Å; S319-Q336 PolarHBondContact OG-OE1 3.15Å
320	H	95.5	Very high	95.2	Very high	16 Å²	16	44.4 Å²	44.4	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	158.3	164	64.3	-83.6	0	0	0	112.2	S166 N168 C169 I170 Y317 L333 A334	S166-H320 PolarHBondContact O-CE1 2.77Å; S166-H320 PolarHBondContact O-ND1 3.25Å; N168-H320 PolarHBondContact O-N 3.21Å; C169-H320 CarbonylContact C-O 3.25Å; C169-H320 WeakPolarHBondContact CA-O 3.3Å; C169-H320 VanDerWaalsContact CB-NE2 3.32Å; C169-H320 WeakPolarHBondContact CB-NE2 3.32Å; C169-H320 PolarHBondContact N-CE1 3.49Å; I170-H320 PolarHBondContact N-O 2.99Å; Y317-H320 WeakPolarHBondContact OH-CB 3.47Å; Y317-H320 PolarHBondContact OH-N 2.96Å; Y317-H320 PolarHBondContact OH-ND1 3.42Å; H320-L333 HydrophobicContact CB-CD1 3.75Å; H320-L333 HydrophobicContact CB-CG 4.25Å; H320-A334 CarbonylContact C-O 3.52Å; H320-A334 WeakPolarHBondContact CA-O 3.35Å; H320-A334 WeakPolarHBondContact CB-O 3.36Å
321	I	94.4	Very high	95.1	Very high	18 Å²	18	44.2 Å²	44.2	9%	0.092	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-27.1	178.2	-46.1	86	0	0	0	110.6	I170 P172 T175 A334 Q336 V346 A411	I170-I321 HydrophobicContact CD1-CG1 4.27Å; I170-I321 HydrophobicContact CG1-CG1 3.89Å; P172-I321 HydrophobicContact CB-CG2 4.22Å; P172-I321 HydrophobicContact CG-CG2 3.62Å; T175-I321 HydrophobicContact CG2-CD1 4.3Å; T175-I321 HydrophobicContact CG2-CG1 3.76Å; I321-A334 WeakPolarHBondContact CD1-O 3.44Å; I321-A334 PolarHBondContact N-O 3.17Å; I321-Q336 HydrophobicContact CD1-CG 3.7Å; I321-V346 HydrophobicContact CD1-CG1 4.33Å; I321-V346 HydrophobicContact CD1-CG2 4.18Å; I321-A411 HydrophobicContact CG2-CB 4.17Å
322	Y	94.6	Very high	95	Very high	51 Å²	51	39.4 Å²	39.4	20%	0.2	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.8	174.3	177.4	-85.9	0	0	0	108.2	P325 V332 A334	Y322-P325 WeakPolarHBondContact OH-CD 3.32Å; Y322-V332 HydrophobicContact CD1-CG1 4.15Å; Y322-V332 WeakPolarHBondContact CD1-O 3.34Å; Y322-V332 HydrophobicContact CE1-CB 4.17Å; Y322-V332 HydrophobicContact CE1-CG1 3.86Å; Y322-A334 PolarHBondContact N-O 2.94Å; Y322-A334 PolarHBondContact O-N 2.88Å
323	D	93.4	Very high	95	Very high	71 Å²	71	32.5 Å²	32.5	38%	0.38	19%	0.19	S	C	.	.			trans	-128	141.9	173.4	-158	7.4	0	0	0	106.6	L333	D323-L333 HydrophobicContact CB-CD1 4.13Å; D323-L333 WeakPolarHBondContact OD1-CD1 3.35Å
324	G	91.2	Very high	95	Very high	18 Å²	18	29.4 Å²	29.4	19%	0.186	16%	0.158	C	C	.	.			trans	-79.7	158.4	-164.2	0	0	0	0	0	114.2	W326 D331 V332	G324-W326 PolarHBondContact O-N 2.69Å; G324-D331 VanDerWaalsContact CA-OD1 3.27Å; G324-D331 WeakPolarHBondContact CA-OD1 3.49Å; G324-V332 PolarHBondContact N-O 3.01Å; G324-V332 VanDerWaalsContact N-O 3.17Å
325	P	91.8	Very high	94.9	Very high	59 Å²	59	26.7 Å²	26.7	38%	0.383	14%	0.144	S	C	.	.	S	Bend	trans	-77.1	-0.2	172.8	33.3	-39.1	0	0	0	114.1	Y322 Y381	Y322-P325 WeakPolarHBondContact OH-CD 3.32Å; P325-Y381 HydrophobicContact CB-CD1 3.76Å; P325-Y381 HydrophobicContact CB-CE1 3.58Å; P325-Y381 HydrophobicContact CB-CG 4.44Å; P325-Y381 HydrophobicContact CG-CD1 3.5Å; P325-Y381 HydrophobicContact CG-CE1 3.89Å; P325-Y381 HydrophobicContact CG-CG 3.86Å
326	W	93.8	Very high	94.8	Very high	20 Å²	20	26.4 Å²	26.4	8%	0.076	14%	0.142	C	C	.	.			trans	-85	131.2	-178.2	-62.7	-87.2	0	0	0	110.6	G324 S328 D331 V332 L378 Y381 L383	G324-W326 PolarHBondContact O-N 2.69Å; W326-S328 WeakPolarHBondContact CB-O 3.18Å; W326-S328 PolarHBondContact O-N 2.96Å; W326-D331 HydrophobicContact CB-CB 4.47Å; W326-V332 HydrophobicContact CE3-CB 4.49Å; W326-V332 HydrophobicContact CE3-CG2 4.34Å; W326-V332 HydrophobicContact CH2-CG2 4.24Å; W326-V332 HydrophobicContact CZ3-CB 3.91Å; W326-V332 HydrophobicContact CZ3-CG2 3.69Å; W326-L378 HydrophobicContact CZ2-CB 4Å; W326-L378 PolarHBondContact NE1-O 3.38Å; W326-Y381 HydrophobicContact CZ2-CG 4.38Å; W326-Y381 AromaticContact NE1-CD2 3.64Å; W326-L383 HydrophobicContact CH2-CD1 4.15Å
327	D	90.8	Very high	94.8	Very high	123 Å²	123	23.2 Å²	23.2	66%	0.658	13%	0.125	S	C	*	.	S	Bend	trans	-86.4	5.5	177.3	88	-56.2	0	0	0	113.1	K159	K159-D327 VanDerWaalsContact CD-O 3.29Å; K159-D327 WeakPolarHBondContact CD-O 3.49Å; K159-D327 WeakPolarHBondContact CE-O 3.49Å; K159-D327 PolarHBondContact NZ-O 3.36Å; K159-D327 IonicContact NZ-OD2 3.73Å; K159-D327 PolarHBondContact NZ-OD2 3.37Å
328	S	92.8	Very high	94.7	Very high	37 Å²	37	24.6 Å²	24.6	26%	0.259	13%	0.132	S	C	.	.	S	Bend	trans	-161.5	170.4	-175.8	-169.2	0	0	0	0	109.6	W326	W326-S328 WeakPolarHBondContact CB-O 3.18Å; W326-S328 PolarHBondContact O-N 2.96Å
329	Y	96.4	Very high	94.7	Very high	22 Å²	22	23.1 Å²	23.1	9%	0.086	13%	0.127	C	C	.	.	S	Bend	trans	-87	157.1	-169.1	-55.6	-60.2	0	0	0	114.5	K156 A157 Q158 I162 D331 I351	K156-Y329 WeakPolarHBondContact CD-O 3.14Å; K156-Y329 WeakPolarHBondContact CE-O 3.34Å; K156-Y329 PolarHBondContact NZ-O 3.16Å; A157-Y329 HydrophobicContact CB-CD2 3.76Å; A157-Y329 HydrophobicContact CB-CE2 4.49Å; A157-Y329 HydrophobicContact CB-CG 4.26Å; Q158-Y329 WeakPolarHBondContact O-CD2 3.49Å; Q158-Y329 WeakPolarHBondContact O-CE2 3.25Å; I162-Y329 HydrophobicContact CB-CE2 3.72Å; I162-Y329 HydrophobicContact CD1-CE2 4.43Å; I162-Y329 HydrophobicContact CG1-CE2 4.36Å; I162-Y329 PolarHBondContact O-OH 3.41Å; Y329-D331 HydrophobicContact CD1-CB 3.89Å; Y329-D331 HydrophobicContact CE1-CB 4.24Å; Y329-I351 HydrophobicContact CD1-CB 4.38Å; Y329-I351 HydrophobicContact CD1-CG2 4.25Å; Y329-I351 VanDerWaalsContact CD1-O 3.27Å; Y329-I351 WeakPolarHBondContact CD1-O 3.48Å; Y329-I351 HydrophobicContact CE1-CB 4.3Å; Y329-I351 HydrophobicContact CE1-CG2 3.85Å
330	P	96.6	Very high	94.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.146	C	C	.	.	S	Bend	cis	-67.8	136.4	-8.9	29.9	-36.6	0	0	0	112.2	Y150 K156 F350 I351 F357	Y150-P330 HydrophobicContact CD2-CG 4.01Å; Y150-P330 HydrophobicContact CE2-CG 4Å; K156-P330 VanDerWaalsContact CD-CD 3.49Å; P330-F350 HydrophobicContact CB-CD1 4.29Å; P330-I351 VanDerWaalsContact CA-O 3.29Å; P330-I351 WeakPolarHBondContact CA-O 3.47Å; P330-F357 HydrophobicContact CB-CD1 4.44Å; P330-F357 HydrophobicContact CB-CE1 3.92Å; P330-F357 HydrophobicContact CB-CZ 4.36Å; P330-F357 HydrophobicContact CG-CD1 4.26Å; P330-F357 HydrophobicContact CG-CE1 3.61Å; P330-F357 HydrophobicContact CG-CE2 4.19Å; P330-F357 HydrophobicContact CG-CZ 3.57Å
331	D	95.8	Very high	94.5	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	175.5	175.3	-175.6	28.4	0	0	0	109.8	G324 W326 Y329 F350 I351	G324-D331 VanDerWaalsContact CA-OD1 3.27Å; G324-D331 WeakPolarHBondContact CA-OD1 3.49Å; W326-D331 HydrophobicContact CB-CB 4.47Å; Y329-D331 HydrophobicContact CD1-CB 3.89Å; Y329-D331 HydrophobicContact CE1-CB 4.24Å; D331-F350 CarbonylContact O-C 3.59Å; D331-F350 VanDerWaalsContact O-CA 3.25Å; D331-F350 WeakPolarHBondContact O-CA 3.47Å; D331-I351 PolarHBondContact N-O 2.85Å; D331-I351 PolarHBondContact O-N 2.98Å
332	V	96.1	Very high	94.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	113.7	-175.4	175.2	0	0	0	0	111.4	Y322 G324 W326 F350 L383 I407	Y322-V332 HydrophobicContact CD1-CG1 4.15Å; Y322-V332 WeakPolarHBondContact CD1-O 3.34Å; Y322-V332 HydrophobicContact CE1-CB 4.17Å; Y322-V332 HydrophobicContact CE1-CG1 3.86Å; G324-V332 PolarHBondContact N-O 3.01Å; G324-V332 VanDerWaalsContact N-O 3.17Å; W326-V332 HydrophobicContact CE3-CB 4.49Å; W326-V332 HydrophobicContact CE3-CG2 4.34Å; W326-V332 HydrophobicContact CH2-CG2 4.24Å; W326-V332 HydrophobicContact CZ3-CB 3.91Å; W326-V332 HydrophobicContact CZ3-CG2 3.69Å; V332-F350 HydrophobicContact CG2-CD1 3.7Å; V332-F350 HydrophobicContact CG2-CE1 3.8Å; V332-L383 HydrophobicContact CG1-CD1 4.5Å; V332-L383 HydrophobicContact CG2-CD1 4.15Å; V332-L383 HydrophobicContact CG2-CD2 4.11Å; V332-I407 HydrophobicContact CG1-CD1 4.02Å; V332-I407 HydrophobicContact CG1-CG2 3.81Å; V332-I407 HydrophobicContact CG2-CD1 4.09Å
333	L	95.8	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.6	175.5	-167.3	73.3	0	0	0	110	L186 Y317 H320 D323 M335 S348 A349 I351	L186-L333 HydrophobicContact CD1-CD2 3.99Å; L186-L333 HydrophobicContact CD2-CD2 3.67Å; L186-L333 HydrophobicContact CG-CD2 4.48Å; Y317-L333 HydrophobicContact CE2-CD2 4.47Å; H320-L333 HydrophobicContact CB-CD1 3.75Å; H320-L333 HydrophobicContact CB-CG 4.25Å; D323-L333 HydrophobicContact CB-CD1 4.13Å; D323-L333 WeakPolarHBondContact OD1-CD1 3.35Å; L333-M335 HydrophobicContact CB-CE 4.16Å; L333-M335 HydrophobicContact CD2-CB 4.4Å; L333-M335 HydrophobicContact CD2-CE 3.93Å; L333-M335 HydrophobicContact CD2-SD 4.13Å; L333-M335 HydrophobicContact CG-CB 4.47Å; L333-M335 HydrophobicContact CG-CE 4.32Å; L333-S348 WeakPolarHBondContact O-CA 3.26Å; L333-A349 PolarHBondContact N-O 3.45Å; L333-A349 VanDerWaalsContact N-O 3.15Å; L333-A349 PolarHBondContact O-N 3.09Å; L333-I351 HydrophobicContact CB-CD1 4.1Å; L333-I351 HydrophobicContact CB-CG1 3.91Å
334	A	95.7	Very high	94.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.7	168.6	0	0	0	0	0	110	H320 I321 Y322 V346 G347 S409	H320-A334 CarbonylContact C-O 3.52Å; H320-A334 WeakPolarHBondContact CA-O 3.35Å; H320-A334 WeakPolarHBondContact CB-O 3.36Å; I321-A334 WeakPolarHBondContact CD1-O 3.44Å; I321-A334 PolarHBondContact N-O 3.17Å; Y322-A334 PolarHBondContact N-O 2.94Å; Y322-A334 PolarHBondContact O-N 2.88Å; A334-V346 HydrophobicContact CB-CG1 4.27Å; A334-G347 WeakPolarHBondContact CA-O 3.38Å; A334-S409 WeakPolarHBondContact CB-OG 3.44Å
335	M	94.8	Very high	94.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	159.9	-162.1	58.7	-175	116.1	0	0	113.9	L186 F306 Y317 S319 L333 F337 V346 G347 A349 I351	L186-M335 HydrophobicContact CD2-CE 4.41Å; L186-M335 HydrophobicContact CD2-SD 3.84Å; F306-M335 HydrophobicContact CD2-CE 4.46Å; F306-M335 HydrophobicContact CD2-SD 3.86Å; F306-M335 HydrophobicContact CE2-CE 4.49Å; F306-M335 HydrophobicContact CE2-CG 4.42Å; F306-M335 HydrophobicContact CE2-SD 3.35Å; F306-M335 WeakPolarHBondContact CE2-SD 3.3Å; F306-M335 HydrophobicContact CZ-SD 3.74Å; Y317-M335 HydrophobicContact CD2-CB 4.22Å; Y317-M335 HydrophobicContact CD2-SD 4.34Å; Y317-M335 HydrophobicContact CE2-CB 3.77Å; Y317-M335 HydrophobicContact CE2-SD 4.46Å; S319-M335 CarbonylContact O-C 3.52Å; S319-M335 VanDerWaalsContact O-CA 3.32Å; S319-M335 WeakPolarHBondContact O-CA 3.48Å; L333-M335 HydrophobicContact CB-CE 4.16Å; L333-M335 HydrophobicContact CD2-CB 4.4Å; L333-M335 HydrophobicContact CD2-CE 3.93Å; L333-M335 HydrophobicContact CD2-SD 4.13Å; L333-M335 HydrophobicContact CG-CB 4.47Å; L333-M335 HydrophobicContact CG-CE 4.32Å; M335-F337 HydrophobicContact CG-CD1 4.11Å; M335-F337 HydrophobicContact CG-CE1 4.36Å; M335-V346 CarbonylContact O-C 3.47Å; M335-G347 WeakPolarHBondContact CG-O 3.5Å; M335-G347 PolarHBondContact N-O 3.44Å; M335-G347 PolarHBondContact O-N 2.79Å; M335-A349 HydrophobicContact CE-CB 4.01Å; M335-I351 HydrophobicContact CE-CD1 4.01Å
336	Q	95.3	Very high	94.5	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.3	168.9	-54	-147.4	-54.1	0	0	109.4	I170 T175 Y318 S319 I321 Y343 E345	I170-Q336 HydrophobicContact CD1-CG 4.26Å; T175-Q336 PolarHBondContact O-NE2 3.44Å; Y318-Q336 PolarHBondContact N-O 3.33Å; S319-Q336 PolarHBondContact O-N 3.45Å; S319-Q336 WeakPolarHBondContact OG-CG 3.44Å; S319-Q336 PolarHBondContact OG-OE1 3.15Å; I321-Q336 HydrophobicContact CD1-CG 3.7Å; Q336-Y343 PolarHBondContact NE2-OH 2.9Å; Q336-Y343 PolarHBondContact OE1-OH 3.17Å; Q336-E345 PolarHBondContact NE2-O 3.23Å
337	F	96.5	Very high	94.4	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.013	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	160.3	173.3	57.6	-86.9	0	0	0	112.6	V297 F300 F306 V315 D316 M335 W339 K344	V297-F337 HydrophobicContact CG1-CE2 4.47Å; F300-F337 HydrophobicContact CB-CZ 4.28Å; F300-F337 HydrophobicContact CD1-CE2 4.02Å; F300-F337 HydrophobicContact CD1-CZ 4.3Å; F300-F337 HydrophobicContact CD2-CE2 4.25Å; F300-F337 AromaticContact CD2-CZ 3.83Å; F300-F337 HydrophobicContact CD2-CZ 3.83Å; F300-F337 HydrophobicContact CE1-CE2 4.13Å; F300-F337 HydrophobicContact CE2-CE2 4.37Å; F300-F337 HydrophobicContact CE2-CZ 4.22Å; F300-F337 HydrophobicContact CG-CE2 4.09Å; F300-F337 AromaticContact CG-CZ 3.89Å; F300-F337 HydrophobicContact CG-CZ 3.89Å; F300-F337 HydrophobicContact CZ-CE2 4.32Å; F306-F337 HydrophobicContact CD2-CD1 4.32Å; F306-F337 HydrophobicContact CD2-CE1 4.14Å; F306-F337 HydrophobicContact CD2-CZ 4.29Å; F306-F337 HydrophobicContact CE2-CB 4.01Å; F306-F337 AromaticContact CE2-CD1 3.58Å; F306-F337 HydrophobicContact CE2-CD1 3.58Å; F306-F337 HydrophobicContact CE2-CD2 4.19Å; F306-F337 AromaticContact CE2-CE1 3.87Å; F306-F337 HydrophobicContact CE2-CE1 3.87Å; F306-F337 HydrophobicContact CE2-CE2 4.48Å; F306-F337 AromaticContact CE2-CG 3.72Å; F306-F337 HydrophobicContact CE2-CG 3.72Å; F306-F337 HydrophobicContact CE2-CZ 4.31Å; F306-F337 HydrophobicContact CZ-CB 4.28Å; F306-F337 HydrophobicContact CZ-CG 4.47Å; V315-F337 HydrophobicContact CG1-CB 4.24Å; V315-F337 HydrophobicContact CG1-CD2 4.16Å; V315-F337 HydrophobicContact CG1-CG 4.45Å; V315-F337 HydrophobicContact CG2-CD2 4.31Å; D316-F337 CarbonylContact O-C 3.5Å; D316-F337 WeakPolarHBondContact O-CA 3.35Å; D316-F337 VanDerWaalsContact O-CB 3.26Å; D316-F337 WeakPolarHBondContact O-CB 3.25Å; M335-F337 HydrophobicContact CG-CD1 4.11Å; M335-F337 HydrophobicContact CG-CE1 4.36Å; F337-W339 HydrophobicContact CD2-CB 4.39Å; F337-W339 HydrophobicContact CE2-CB 4.42Å; F337-K344 HydrophobicContact CD1-CB 4.38Å; F337-K344 HydrophobicContact CD1-CD 4.14Å; F337-K344 HydrophobicContact CD2-CB 4.48Å; F337-K344 HydrophobicContact CE1-CB 4.41Å; F337-K344 HydrophobicContact CE1-CD 3.4Å; F337-K344 VanDerWaalsContact CE1-CD 3.4Å; F337-K344 HydrophobicContact CE1-CG 4.49Å; F337-K344 HydrophobicContact CE2-CB 4.47Å; F337-K344 HydrophobicContact CE2-CD 4.08Å; F337-K344 HydrophobicContact CG-CB 4.46Å; F337-K344 HydrophobicContact CZ-CB 4.45Å; F337-K344 HydrophobicContact CZ-CD 3.37Å; F337-K344 PolarHBondContact O-N 3.49Å
338	N	96.2	Very high	94.6	Very high	28 Å²	28	23.9 Å²	23.9	15%	0.15	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	145.6	160.6	-160.7	-65.7	0	0	0	109.2	V315 D316 Y318 G341 Y342	V315-N338 WeakPolarHBondContact CA-O 3.45Å; D316-N338 HydrophobicContact CB-CB 4.28Å; D316-N338 PolarHBondContact N-O 2.81Å; D316-N338 PolarHBondContact O-N 3.37Å; Y318-N338 HydrophobicContact CE1-CB 3.72Å; Y318-N338 PolarHBondContact OH-ND2 2.87Å; N338-G341 PolarHBondContact ND2-O 2.79Å; N338-G341 WeakPolarHBondContact OD1-CA 3.48Å; N338-G341 PolarHBondContact OD1-N 3.06Å; N338-Y342 CarbonylContact C-O 3.52Å; N338-Y342 WeakPolarHBondContact CA-O 3.31Å; N338-Y342 PolarHBondContact OD1-N 2.78Å; N338-Y342 VanDerWaalsContact OD1-N 3.15Å
339	W	96	Very high	94.8	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	105.2	171.3	-177.4	32.5	0	0	0	109.1	R212 G290 V292 V297 F300 E309 L314 V315 F337 G341 Y342	R212-W339 HydrophobicContact CB-CH2 3.25Å; R212-W339 HydrophobicContact CB-CZ2 3.63Å; R212-W339 HydrophobicContact CB-CZ3 3.72Å; R212-W339 HydrophobicContact CG-CH2 4.45Å; G290-W339 WeakPolarHBondContact O-CH2 3.39Å; V292-W339 HydrophobicContact CG2-CE3 3.86Å; V292-W339 HydrophobicContact CG2-CZ3 4Å; V297-W339 HydrophobicContact CG1-CE3 3.91Å; V297-W339 HydrophobicContact CG1-CZ3 4.38Å; V297-W339 HydrophobicContact CG2-CB 3.95Å; V297-W339 HydrophobicContact CG2-CE3 4.12Å; F300-W339 AromaticContact CD1-CD2 3.82Å; F300-W339 HydrophobicContact CD1-CD2 3.82Å; F300-W339 AromaticContact CD1-CE3 3.67Å; F300-W339 HydrophobicContact CD1-CE3 3.67Å; F300-W339 HydrophobicContact CD1-CG 4.43Å; F300-W339 AromaticContact CD1-CH2 3.97Å; F300-W339 HydrophobicContact CD1-CH2 3.97Å; F300-W339 HydrophobicContact CD1-CZ2 4.17Å; F300-W339 AromaticContact CD1-CZ3 3.76Å; F300-W339 HydrophobicContact CD1-CZ3 3.76Å; F300-W339 AromaticContact CE1-CD2 3.66Å; F300-W339 HydrophobicContact CE1-CD2 3.66Å; F300-W339 AromaticContact CE1-CE2 3.64Å; F300-W339 HydrophobicContact CE1-CE3 4.03Å; F300-W339 AromaticContact CE1-CG 3.99Å; F300-W339 HydrophobicContact CE1-CG 3.99Å; F300-W339 HydrophobicContact CE1-CH2 4.22Å; F300-W339 AromaticContact CE1-CZ2 3.93Å; F300-W339 HydrophobicContact CE1-CZ2 3.93Å; F300-W339 HydrophobicContact CE1-CZ3 4.3Å; E309-W339 PolarHBondContact OE2-NE1 3.29Å; L314-W339 CarbonylContact O-C 3.4Å; L314-W339 WeakPolarHBondContact O-CA 3.31Å; V315-W339 HydrophobicContact CG2-CB 4.14Å; V315-W339 HydrophobicContact CG2-CG 4.04Å; F337-W339 HydrophobicContact CD2-CB 4.39Å; F337-W339 HydrophobicContact CE2-CB 4.42Å; W339-G341 PolarHBondContact O-N 3.48Å; W339-Y342 PolarHBondContact N-O 2.89Å; W339-Y342 WeakPolarHBondContact O-CB 3.47Å; W339-Y342 WeakPolarHBondContact O-CD2 3.35Å; W339-Y342 PolarHBondContact O-N 2.88Å
340	D	93.9	Very high	94.8	Very high	74 Å²	74	21.2 Å²	21.2	40%	0.396	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	36.9	59.2	-175.3	-162	3.9	0	0	0	114.1	R212 L314 Y342	R212-D340 IonicContact CZ-OD2 2.7Å; R212-D340 VanDerWaalsContact NH1-CB 3.27Å; R212-D340 IonicContact NH1-OD2 3.45Å; R212-D340 PolarHBondContact NH1-OD2 3.33Å; R212-D340 IonicContact NH2-OD2 3.59Å; R212-D340 PolarHBondContact NH2-OD2 2.97Å; L314-D340 HydrophobicContact CD2-CB 4.31Å; L314-D340 PolarHBondContact O-N 2.63Å; D340-Y342 WeakPolarHBondContact O-CD2 3.35Å
341	G	93.6	Very high	94.9	Very high	61 Å²	61	21.2 Å²	21.2	63%	0.629	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	-20.1	-179.3	0	0	0	0	0	114.8	N338 W339	N338-G341 PolarHBondContact ND2-O 2.79Å; N338-G341 WeakPolarHBondContact OD1-CA 3.48Å; N338-G341 PolarHBondContact OD1-N 3.06Å; W339-G341 PolarHBondContact O-N 3.48Å
342	Y	94.7	Very high	95	Very high	91 Å²	91	20.6 Å²	20.6	36%	0.357	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.2	-174	-56.6	-72.8	0	0	0	112.8	V292 V297 N338 W339 D340	V292-Y342 HydrophobicContact CB-CD2 4.33Å; V292-Y342 HydrophobicContact CG1-CD1 3.62Å; V292-Y342 HydrophobicContact CG1-CD2 3.68Å; V292-Y342 HydrophobicContact CG1-CE1 3.79Å; V292-Y342 HydrophobicContact CG1-CE2 3.84Å; V292-Y342 HydrophobicContact CG1-CG 3.55Å; V292-Y342 HydrophobicContact CG2-CD2 3.73Å; V292-Y342 HydrophobicContact CG2-CE2 4.28Å; V292-Y342 HydrophobicContact CG2-CG 4.09Å; V297-Y342 VanDerWaalsContact CG2-O 3.28Å; V297-Y342 WeakPolarHBondContact CG2-O 3.28Å; N338-Y342 CarbonylContact C-O 3.52Å; N338-Y342 WeakPolarHBondContact CA-O 3.31Å; N338-Y342 PolarHBondContact OD1-N 2.78Å; N338-Y342 VanDerWaalsContact OD1-N 3.15Å; W339-Y342 PolarHBondContact N-O 2.89Å; W339-Y342 WeakPolarHBondContact O-CB 3.47Å; W339-Y342 WeakPolarHBondContact O-CD2 3.35Å; W339-Y342 PolarHBondContact O-N 2.88Å; D340-Y342 WeakPolarHBondContact O-CD2 3.35Å
343	Y	93.7	Very high	95.1	Very high	24 Å²	24	20.5 Å²	20.5	9%	0.094	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	144.2	-178.4	-176.2	-115	0	0	0	113.7	T175 Q178 Y318 Q336 E345	T175-Y343 PolarHBondContact O-OH 2.76Å; Q178-Y343 HydrophobicContact CB-CD1 4.37Å; Q178-Y343 HydrophobicContact CB-CE1 4.21Å; Q178-Y343 HydrophobicContact CB-CE2 4.42Å; Q178-Y343 HydrophobicContact CB-CG 4.5Å; Q178-Y343 HydrophobicContact CG-CD1 3.74Å; Q178-Y343 HydrophobicContact CG-CE1 3.61Å; Q178-Y343 HydrophobicContact CG-CG 4.3Å; Y318-Y343 HydrophobicContact CD2-CD2 4.21Å; Y318-Y343 AromaticContact CD2-CE2 3.63Å; Y318-Y343 HydrophobicContact CD2-CE2 3.63Å; Y318-Y343 AromaticContact CE2-CD2 3.99Å; Y318-Y343 HydrophobicContact CE2-CD2 3.99Å; Y318-Y343 AromaticContact CE2-CE2 3.83Å; Y318-Y343 HydrophobicContact CE2-CE2 3.83Å; Y318-Y343 HydrophobicContact CG-CE2 4.48Å; Q336-Y343 PolarHBondContact NE2-OH 2.9Å; Q336-Y343 PolarHBondContact OE1-OH 3.17Å; Y343-E345 HydrophobicContact CE1-CB 4.3Å
344	K	93.9	Very high	95.3	Very high	12 Å²	12	20.5 Å²	20.5	5%	0.052	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.3	168.7	-160.6	-176.5	175.3	68.2	0	110.8	V297 G299 F337 V346	V297-K344 HydrophobicContact CB-CB 3.97Å; V297-K344 HydrophobicContact CB-CD 4.4Å; V297-K344 HydrophobicContact CB-CG 4.14Å; V297-K344 HydrophobicContact CG1-CD 4.13Å; V297-K344 HydrophobicContact CG1-CG 4.42Å; V297-K344 HydrophobicContact CG2-CB 4.39Å; G299-K344 PolarHBondContact O-NZ 3.48Å; F337-K344 HydrophobicContact CD1-CB 4.38Å; F337-K344 HydrophobicContact CD1-CD 4.14Å; F337-K344 HydrophobicContact CD2-CB 4.48Å; F337-K344 HydrophobicContact CE1-CB 4.41Å; F337-K344 HydrophobicContact CE1-CD 3.4Å; F337-K344 VanDerWaalsContact CE1-CD 3.4Å; F337-K344 HydrophobicContact CE1-CG 4.49Å; F337-K344 HydrophobicContact CE2-CB 4.47Å; F337-K344 HydrophobicContact CE2-CD 4.08Å; F337-K344 HydrophobicContact CG-CB 4.46Å; F337-K344 HydrophobicContact CZ-CB 4.45Å; F337-K344 HydrophobicContact CZ-CD 3.37Å; F337-K344 PolarHBondContact O-N 3.49Å; K344-V346 VanDerWaalsContact CE-O 3.31Å; K344-V346 WeakPolarHBondContact CE-O 3.49Å
345	E	92	Very high	95.4	Very high	61 Å²	61	20.5 Å²	20.5	29%	0.285	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-45.7	-177.5	-171.6	172.7	162.9	0	0	112	R176 Q336 Y343	R176-E345 HydrophobicContact CG-CG 4.49Å; R176-E345 WeakPolarHBondContact CG-OE1 3.38Å; R176-E345 IonicContact CZ-OE1 3.74Å; R176-E345 IonicContact NE-OE1 2.75Å; R176-E345 PolarHBondContact NE-OE1 3.49Å; R176-E345 IonicContact NH2-OE1 2.71Å; R176-E345 PolarHBondContact NH2-OE1 3.08Å; R176-E345 VanDerWaalsContact NH2-OE1 3.09Å; Q336-E345 PolarHBondContact NE2-O 3.23Å; Y343-E345 HydrophobicContact CE1-CB 4.3Å
346	V	90.4	Very high	95.6	Very high	62 Å²	62	20.5 Å²	20.5	38%	0.376	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	136.6	165.8	-178.3	0	0	0	0	109.2	T175 I321 A334 M335 K344	T175-V346 HydrophobicContact CG2-CG2 4.07Å; I321-V346 HydrophobicContact CD1-CG1 4.33Å; I321-V346 HydrophobicContact CD1-CG2 4.18Å; A334-V346 HydrophobicContact CB-CG1 4.27Å; M335-V346 CarbonylContact O-C 3.47Å; K344-V346 VanDerWaalsContact CE-O 3.31Å; K344-V346 WeakPolarHBondContact CE-O 3.49Å
347	G	92.2	Very high	95.8	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.5	163.8	0	0	0	0	0	110.9	A334 M335	A334-G347 WeakPolarHBondContact CA-O 3.38Å; M335-G347 WeakPolarHBondContact CG-O 3.5Å; M335-G347 PolarHBondContact N-O 3.44Å; M335-G347 PolarHBondContact O-N 2.79Å
348	S	94.3	Very high	95.8	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.028	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	138.2	168.5	52.2	0	0	0	0	110.5	H301 L333 I407	H301-S348 PolarHBondContact ND1-O 2.92Å; L333-S348 WeakPolarHBondContact O-CA 3.26Å; S348-I407 WeakPolarHBondContact CB-O 3.49Å; S348-I407 PolarHBondContact OG-N 2.92Å; S348-I407 PolarHBondContact OG-O 3.23Å
349	A	96.1	Very high	96	Very high	4 Å²	4	19 Å²	19	3%	0.033	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.3	175.3	0	0	0	0	0	110.1	H301 L333 M335	H301-A349 WeakPolarHBondContact O-CA 3.42Å; H301-A349 WeakPolarHBondContact O-CB 3.41Å; L333-A349 PolarHBondContact N-O 3.45Å; L333-A349 VanDerWaalsContact N-O 3.15Å; L333-A349 PolarHBondContact O-N 3.09Å; M335-A349 HydrophobicContact CE-CB 4.01Å
350	F	97.8	Very high	96.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142	157.7	-73.2	-70.7	0	0	0	108.6	W303 P330 D331 V332 S353 F357 E358 L361 Y362 L378 L383 I407	W303-F350 VanDerWaalsContact CB-O 3.32Å; W303-F350 WeakPolarHBondContact CB-O 3.4Å; P330-F350 HydrophobicContact CB-CD1 4.29Å; D331-F350 CarbonylContact O-C 3.59Å; D331-F350 VanDerWaalsContact O-CA 3.25Å; D331-F350 WeakPolarHBondContact O-CA 3.47Å; V332-F350 HydrophobicContact CG2-CD1 3.7Å; V332-F350 HydrophobicContact CG2-CE1 3.8Å; F350-S353 WeakPolarHBondContact CB-OG 3.27Å; F350-F357 AromaticContact CD1-CE1 3.98Å; F350-F357 HydrophobicContact CD1-CE1 3.98Å; F350-F357 HydrophobicContact CD2-CE1 4.27Å; F350-F357 AromaticContact CE1-CE1 3.84Å; F350-F357 HydrophobicContact CE1-CE1 3.84Å; F350-F357 HydrophobicContact CE1-CZ 4.3Å; F350-F357 HydrophobicContact CE2-CE1 4.14Å; F350-F357 HydrophobicContact CG-CE1 4.19Å; F350-F357 AromaticContact CZ-CE1 3.92Å; F350-F357 HydrophobicContact CZ-CE1 3.92Å; F350-F357 HydrophobicContact CZ-CZ 4.41Å; F350-E358 HydrophobicContact CB-CG 4.27Å; F350-E358 HydrophobicContact CD2-CG 3.84Å; F350-E358 HydrophobicContact CG-CG 4.43Å; F350-L361 HydrophobicContact CE2-CD1 4.27Å; F350-L361 HydrophobicContact CZ-CD1 3.85Å; F350-Y362 HydrophobicContact CE2-CE1 4.1Å; F350-L378 HydrophobicContact CE1-CD1 3.64Å; F350-L378 HydrophobicContact CZ-CD1 4.04Å; F350-L383 HydrophobicContact CE1-CD2 3.49Å; F350-L383 VanDerWaalsContact CE1-CD2 3.49Å; F350-L383 HydrophobicContact CZ-CD2 3.53Å; F350-I407 HydrophobicContact CB-CD1 4.46Å; F350-I407 HydrophobicContact CD1-CD1 3.93Å; F350-I407 HydrophobicContact CD2-CD1 3.66Å; F350-I407 HydrophobicContact CD2-CG1 4.3Å; F350-I407 HydrophobicContact CE1-CD1 4.05Å; F350-I407 HydrophobicContact CE2-CD1 3.8Å; F350-I407 HydrophobicContact CE2-CG1 3.99Å; F350-I407 HydrophobicContact CG-CD1 3.74Å; F350-I407 HydrophobicContact CZ-CD1 4Å; F350-I407 HydrophobicContact CZ-CG1 4.16Å
351	I	98.3	Very high	96.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.7	172	-48.4	-59.1	0	0	0	109.2	I162 L164 F187 W303 Y329 P330 D331 L333 M335 S353	I162-I351 HydrophobicContact CD1-CG2 4.37Å; L164-I351 HydrophobicContact CD1-CG2 4.23Å; L164-I351 HydrophobicContact CD2-CG2 4.26Å; F187-I351 HydrophobicContact CE1-CG2 4.23Å; F187-I351 HydrophobicContact CZ-CD1 4.38Å; F187-I351 HydrophobicContact CZ-CG2 4.33Å; W303-I351 HydrophobicContact CB-CD1 3.95Å; Y329-I351 HydrophobicContact CD1-CB 4.38Å; Y329-I351 HydrophobicContact CD1-CG2 4.25Å; Y329-I351 VanDerWaalsContact CD1-O 3.27Å; Y329-I351 WeakPolarHBondContact CD1-O 3.48Å; Y329-I351 HydrophobicContact CE1-CB 4.3Å; Y329-I351 HydrophobicContact CE1-CG2 3.85Å; P330-I351 VanDerWaalsContact CA-O 3.29Å; P330-I351 WeakPolarHBondContact CA-O 3.47Å; D331-I351 PolarHBondContact N-O 2.85Å; D331-I351 PolarHBondContact O-N 2.98Å; L333-I351 HydrophobicContact CB-CD1 4.1Å; L333-I351 HydrophobicContact CB-CG1 3.91Å; M335-I351 HydrophobicContact CE-CD1 4.01Å; I351-S353 PolarHBondContact O-N 2.8Å
352	G	98.3	Very high	96.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	75.7	-4.7	173.5	0	0	0	0	0	116	K156 A157 I162	K156-G352 CarbonylContact C-O 3.59Å; K156-G352 VanDerWaalsContact CA-O 3.32Å; K156-G352 WeakPolarHBondContact CA-O 3.33Å; K156-G352 VanDerWaalsContact CB-O 3.25Å; K156-G352 WeakPolarHBondContact CB-O 3.46Å; A157-G352 WeakPolarHBondContact CB-O 3.46Å; A157-G352 PolarHBondContact N-O 3.42Å; I162-G352 VanDerWaalsContact CD1-CA 3.49Å
353	S	98.4	Very high	96.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.			trans	-49.4	153	164.7	32	0	0	0	0	113.2	Y200 W303 F350 I351 E358	Y200-S353 PolarHBondContact OH-O 3.28Å; W303-S353 VanDerWaalsContact CD1-OG 3.3Å; W303-S353 PolarHBondContact NE1-O 3.3Å; W303-S353 PolarHBondContact NE1-OG 2.98Å; F350-S353 WeakPolarHBondContact CB-OG 3.27Å; I351-S353 PolarHBondContact O-N 2.8Å; S353-E358 WeakPolarHBondContact CB-OE1 3.4Å; S353-E358 PolarHBondContact OG-OE1 2.9Å
354	S	98.8	Very high	97	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.			trans	-81.9	154.1	161.4	63	0	0	0	0	112	D153 Y200 E356 F357 E358	D153-S354 WeakPolarHBondContact OD1-CB 3.39Å; D153-S354 PolarHBondContact OD1-OG 2.81Å; D153-S354 PolarHBondContact OD2-N 3.21Å; D153-S354 PolarHBondContact OD2-OG 3.01Å; Y200-S354 WeakPolarHBondContact OH-CA 3.05Å; S354-E356 VanDerWaalsContact C-N 3.27Å; S354-E356 WeakPolarHBondContact CB-OE2 3.29Å; S354-E356 PolarHBondContact O-N 3.22Å; S354-E356 VanDerWaalsContact OG-CD 3.28Å; S354-E356 WeakPolarHBondContact OG-CG 3.41Å; S354-F357 WeakPolarHBondContact O-CB 3.36Å; S354-F357 PolarHBondContact O-N 3.08Å; S354-F357 VanDerWaalsContact O-N 3.08Å; S354-E358 PolarHBondContact O-N 2.86Å
355	P	98.7	Very high	97.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-54	-41.8	176.8	-28.4	35.8	0	0	0	113.6	Y200 F203 F231 I304 F357 F359	Y200-P355 HydrophobicContact CD1-CG 4.32Å; Y200-P355 HydrophobicContact CD2-CG 4.44Å; Y200-P355 HydrophobicContact CG-CG 4.22Å; F203-P355 HydrophobicContact CB-CB 3.82Å; F203-P355 HydrophobicContact CB-CG 3.68Å; F203-P355 HydrophobicContact CD1-CB 4.29Å; F203-P355 HydrophobicContact CD1-CG 3.97Å; F203-P355 HydrophobicContact CD2-CB 3.73Å; F203-P355 HydrophobicContact CD2-CG 4.28Å; F203-P355 HydrophobicContact CE2-CB 4.31Å; F203-P355 HydrophobicContact CG-CB 3.7Å; F203-P355 HydrophobicContact CG-CG 3.74Å; F231-P355 HydrophobicContact CE2-CB 3.82Å; F231-P355 HydrophobicContact CZ-CB 4.25Å; I304-P355 HydrophobicContact CD1-CG 3.84Å; P355-F357 VanDerWaalsContact C-N 3.29Å; P355-F357 PolarHBondContact O-N 2.82Å; P355-F359 WeakPolarHBondContact O-CB 3.28Å; P355-F359 PolarHBondContact O-N 2.91Å
356	E	98.8	Very high	97.5	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.009	3%	0.025	C	C	.	.	H	α-helix	trans	-62.8	-32.7	177.9	58	-93.2	-134.1	0	0	113	N155 T199 I235 T238 V240 M241 S354 A360	N155-E356 VanDerWaalsContact CB-OE1 3.26Å; N155-E356 WeakPolarHBondContact CB-OE1 3.42Å; N155-E356 PolarHBondContact ND2-OE1 3.28Å; T199-E356 WeakPolarHBondContact CB-OE2 3.47Å; T199-E356 PolarHBondContact OG1-OE1 3.2Å; T199-E356 PolarHBondContact OG1-OE2 3.19Å; I235-E356 HydrophobicContact CB-CB 3.8Å; I235-E356 HydrophobicContact CG2-CB 3.78Å; T238-E356 HydrophobicContact CG2-CB 4.31Å; T238-E356 HydrophobicContact CG2-CG 3.85Å; T238-E356 WeakPolarHBondContact CG2-OE1 3.27Å; V240-E356 HydrophobicContact CB-CB 4.49Å; V240-E356 HydrophobicContact CB-CG 4.07Å; V240-E356 HydrophobicContact CG1-CB 4.21Å; V240-E356 HydrophobicContact CG1-CG 4.19Å; V240-E356 WeakPolarHBondContact CG1-O 3.46Å; V240-E356 HydrophobicContact CG2-CG 4.25Å; M241-E356 HydrophobicContact CG-CB 4.3Å; S354-E356 VanDerWaalsContact C-N 3.27Å; S354-E356 WeakPolarHBondContact CB-OE2 3.29Å; S354-E356 PolarHBondContact O-N 3.22Å; S354-E356 VanDerWaalsContact OG-CD 3.28Å; S354-E356 WeakPolarHBondContact OG-CG 3.41Å; E356-A360 WeakPolarHBondContact O-CB 3.33Å; E356-A360 PolarHBondContact O-N 3.15Å
357	F	98.8	Very high	97.7	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-69.6	-47	179.6	169.8	-90.7	0	0	0	112	I149 Y150 D153 P330 F350 S354 P355 A360 L361 L378	I149-F357 HydrophobicContact CG2-CD2 3.59Å; I149-F357 HydrophobicContact CG2-CE2 3.91Å; Y150-F357 HydrophobicContact CD2-CE2 4.43Å; D153-F357 HydrophobicContact CB-CB 4.26Å; D153-F357 HydrophobicContact CB-CD2 4.04Å; D153-F357 HydrophobicContact CB-CG 4.43Å; D153-F357 VanDerWaalsContact OD2-CB 3.24Å; D153-F357 WeakPolarHBondContact OD2-CB 3.39Å; P330-F357 HydrophobicContact CB-CD1 4.44Å; P330-F357 HydrophobicContact CB-CE1 3.92Å; P330-F357 HydrophobicContact CB-CZ 4.36Å; P330-F357 HydrophobicContact CG-CD1 4.26Å; P330-F357 HydrophobicContact CG-CE1 3.61Å; P330-F357 HydrophobicContact CG-CE2 4.19Å; P330-F357 HydrophobicContact CG-CZ 3.57Å; F350-F357 AromaticContact CD1-CE1 3.98Å; F350-F357 HydrophobicContact CD1-CE1 3.98Å; F350-F357 HydrophobicContact CD2-CE1 4.27Å; F350-F357 AromaticContact CE1-CE1 3.84Å; F350-F357 HydrophobicContact CE1-CE1 3.84Å; F350-F357 HydrophobicContact CE1-CZ 4.3Å; F350-F357 HydrophobicContact CE2-CE1 4.14Å; F350-F357 HydrophobicContact CG-CE1 4.19Å; F350-F357 AromaticContact CZ-CE1 3.92Å; F350-F357 HydrophobicContact CZ-CE1 3.92Å; F350-F357 HydrophobicContact CZ-CZ 4.41Å; S354-F357 WeakPolarHBondContact O-CB 3.36Å; S354-F357 PolarHBondContact O-N 3.08Å; S354-F357 VanDerWaalsContact O-N 3.08Å; P355-F357 VanDerWaalsContact C-N 3.29Å; P355-F357 PolarHBondContact O-N 2.82Å; F357-A360 PolarHBondContact O-N 2.88Å; F357-L361 HydrophobicContact CD1-CD1 4.35Å; F357-L361 HydrophobicContact CD2-CD1 4.4Å; F357-L361 HydrophobicContact CE1-CD1 3.68Å; F357-L361 HydrophobicContact CE2-CD1 3.72Å; F357-L361 HydrophobicContact CE2-CG 4.33Å; F357-L361 HydrophobicContact CZ-CD1 3.32Å; F357-L361 HydrophobicContact CZ-CG 4.35Å; F357-L361 WeakPolarHBondContact O-CG 3.25Å; F357-L361 PolarHBondContact O-N 2.95Å; F357-L378 HydrophobicContact CE2-CD2 4.16Å; F357-L378 HydrophobicContact CZ-CD1 4Å; F357-L378 HydrophobicContact CZ-CD2 3.92Å
358	E	98	Very high	97.8	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-64.2	-48	176.6	-58.7	-178.2	-148.5	0	0	110.7	F288 N302 F350 S353 S354 A360 L361 Y362	F288-E358 HydrophobicContact CE1-CB 3.88Å; F288-E358 HydrophobicContact CZ-CB 4.39Å; N302-E358 PolarHBondContact ND2-OE1 2.69Å; N302-E358 PolarHBondContact ND2-OE2 2.9Å; F350-E358 HydrophobicContact CB-CG 4.27Å; F350-E358 HydrophobicContact CD2-CG 3.84Å; F350-E358 HydrophobicContact CG-CG 4.43Å; S353-E358 WeakPolarHBondContact CB-OE1 3.4Å; S353-E358 PolarHBondContact OG-OE1 2.9Å; S354-E358 PolarHBondContact O-N 2.86Å; E358-A360 VanDerWaalsContact C-N 3.31Å; E358-A360 PolarHBondContact O-N 2.95Å; E358-L361 PolarHBondContact O-N 2.8Å; E358-Y362 HydrophobicContact CB-CE2 4.24Å; E358-Y362 WeakPolarHBondContact O-CB 3.17Å; E358-Y362 WeakPolarHBondContact O-CD2 3.4Å; E358-Y362 VanDerWaalsContact O-CG 3.22Å; E358-Y362 PolarHBondContact O-N 3.24Å
359	F	98.8	Very high	97.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.6	-40.7	178.4	-163.9	-94.5	0	0	0	111.8	F231 L232 I235 M241 L264 W268 F288 P355 S363	F231-F359 AromaticContact CE1-CD2 3.83Å; F231-F359 HydrophobicContact CE1-CD2 3.83Å; F231-F359 AromaticContact CE1-CE2 3.82Å; F231-F359 HydrophobicContact CE1-CE2 3.82Å; F231-F359 HydrophobicContact CE1-CG 4.21Å; F231-F359 HydrophobicContact CE1-CZ 4.17Å; F231-F359 HydrophobicContact CZ-CD2 4.19Å; F231-F359 HydrophobicContact CZ-CG 4.35Å; L232-F359 HydrophobicContact CD2-CE1 4.08Å; L232-F359 HydrophobicContact CD2-CZ 4Å; I235-F359 HydrophobicContact CD1-CD1 3.42Å; I235-F359 VanDerWaalsContact CD1-CD1 3.42Å; I235-F359 HydrophobicContact CD1-CE1 3.59Å; I235-F359 HydrophobicContact CD1-CG 4.15Å; I235-F359 HydrophobicContact CD1-CZ 4.43Å; M241-F359 HydrophobicContact CE-CD1 4.26Å; M241-F359 HydrophobicContact SD-CD1 4.49Å; L264-F359 HydrophobicContact CB-CE1 4.35Å; L264-F359 HydrophobicContact CD1-CE1 4.23Å; L264-F359 HydrophobicContact CD2-CE1 3.89Å; L264-F359 HydrophobicContact CG-CE1 4.38Å; W268-F359 HydrophobicContact CB-CE2 3.89Å; W268-F359 HydrophobicContact CB-CZ 4Å; W268-F359 AromaticContact CD1-CE1 3.91Å; W268-F359 AromaticContact CD1-CE2 3.54Å; W268-F359 AromaticContact CD1-CZ 3.22Å; W268-F359 HydrophobicContact CD2-CD2 4.09Å; W268-F359 AromaticContact CD2-CE2 3.55Å; W268-F359 HydrophobicContact CD2-CE2 3.55Å; W268-F359 HydrophobicContact CD2-CZ 4.09Å; W268-F359 AromaticContact CE2-CE2 3.81Å; W268-F359 HydrophobicContact CE3-CE2 4.2Å; W268-F359 HydrophobicContact CG-CD2 4.35Å; W268-F359 AromaticContact CG-CE2 3.38Å; W268-F359 HydrophobicContact CG-CE2 3.38Å; W268-F359 AromaticContact CG-CZ 3.51Å; W268-F359 HydrophobicContact CG-CZ 3.51Å; W268-F359 HydrophobicContact CZ2-CD2 4.44Å; W268-F359 AromaticContact NE1-CE1 3.98Å; W268-F359 AromaticContact NE1-CE2 3.76Å; W268-F359 AromaticContact NE1-CZ 3.63Å; F288-F359 AromaticContact CE2-CD2 3.89Å; F288-F359 HydrophobicContact CE2-CD2 3.89Å; F288-F359 HydrophobicContact CZ-CB 4.4Å; F288-F359 HydrophobicContact CZ-CD2 4.14Å; P355-F359 WeakPolarHBondContact O-CB 3.28Å; P355-F359 PolarHBondContact O-N 2.91Å; F359-S363 VanDerWaalsContact O-CB 3.22Å; F359-S363 WeakPolarHBondContact O-CB 3.44Å; F359-S363 PolarHBondContact O-N 3.02Å; F359-S363 PolarHBondContact O-OG 2.74Å
360	A	98.8	Very high	97.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65.1	-51.3	176.2	0	0	0	0	0	112.7	I149 V240 M241 L244 E356 F357 E358 Y362 S363 L364	I149-A360 HydrophobicContact CD1-CB 4.37Å; I149-A360 HydrophobicContact CG2-CB 4.43Å; V240-A360 HydrophobicContact CG1-CB 3.56Å; M241-A360 HydrophobicContact SD-CB 3.83Å; L244-A360 HydrophobicContact CD2-CB 3.74Å; L244-A360 WeakPolarHBondContact CD2-O 3.34Å; E356-A360 WeakPolarHBondContact O-CB 3.33Å; E356-A360 PolarHBondContact O-N 3.15Å; F357-A360 PolarHBondContact O-N 2.88Å; E358-A360 VanDerWaalsContact C-N 3.31Å; E358-A360 PolarHBondContact O-N 2.95Å; A360-Y362 PolarHBondContact O-N 2.82Å; A360-S363 PolarHBondContact O-N 2.96Å; A360-L364 VanDerWaalsContact O-CB 3.31Å; A360-L364 WeakPolarHBondContact O-CB 3.44Å; A360-L364 PolarHBondContact O-N 2.84Å
361	L	98.6	Very high	96.9	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.9	-38.9	-178.3	-68.7	-175.6	0	0	0	112.3	I149 F350 F357 E358 L364 C365 L376 L378	I149-L361 HydrophobicContact CB-CD2 4.26Å; I149-L361 HydrophobicContact CD1-CD2 4.09Å; I149-L361 HydrophobicContact CG2-CD2 3.82Å; I149-L361 HydrophobicContact CG2-CG 4.1Å; F350-L361 HydrophobicContact CE2-CD1 4.27Å; F350-L361 HydrophobicContact CZ-CD1 3.85Å; F357-L361 HydrophobicContact CD1-CD1 4.35Å; F357-L361 HydrophobicContact CD2-CD1 4.4Å; F357-L361 HydrophobicContact CE1-CD1 3.68Å; F357-L361 HydrophobicContact CE2-CD1 3.72Å; F357-L361 HydrophobicContact CE2-CG 4.33Å; F357-L361 HydrophobicContact CZ-CD1 3.32Å; F357-L361 HydrophobicContact CZ-CG 4.35Å; F357-L361 WeakPolarHBondContact O-CG 3.25Å; F357-L361 PolarHBondContact O-N 2.95Å; E358-L361 PolarHBondContact O-N 2.8Å; L361-L364 HydrophobicContact CD2-CD2 4.4Å; L361-C365 WeakPolarHBondContact O-CB 3.4Å; L361-C365 PolarHBondContact O-N 2.83Å; L361-C365 PolarHBondContact O-SG 2.84Å; L361-C365 VanDerWaalsContact O-SG 3.33Å; L361-L376 HydrophobicContact CB-CD1 4.33Å; L361-L376 HydrophobicContact CD1-CD1 4.05Å; L361-L376 HydrophobicContact CD2-CD1 4.18Å; L361-L376 HydrophobicContact CG-CD1 4.43Å; L361-L378 HydrophobicContact CD1-CD1 4.36Å; L361-L378 HydrophobicContact CD1-CD2 3.92Å
362	Y	98.7	Very high	96.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.7	-39.6	176.1	-63.7	-19.9	0	0	0	111.9	W268 V287 F288 F350 E358 A360 C365 F366 V385 A405	W268-Y362 HydrophobicContact CH2-CD2 4.04Å; W268-Y362 HydrophobicContact CH2-CG 4.31Å; V287-Y362 HydrophobicContact CG1-CD2 3.93Å; V287-Y362 HydrophobicContact CG1-CE2 3.79Å; F288-Y362 HydrophobicContact CE1-CD2 4.31Å; F288-Y362 HydrophobicContact CE1-CE2 4.22Å; F288-Y362 AromaticContact CZ-CD2 3.97Å; F288-Y362 HydrophobicContact CZ-CD2 3.97Å; F288-Y362 HydrophobicContact CZ-CE2 4.34Å; F350-Y362 HydrophobicContact CE2-CE1 4.1Å; E358-Y362 HydrophobicContact CB-CE2 4.24Å; E358-Y362 WeakPolarHBondContact O-CB 3.17Å; E358-Y362 WeakPolarHBondContact O-CD2 3.4Å; E358-Y362 VanDerWaalsContact O-CG 3.22Å; E358-Y362 PolarHBondContact O-N 3.24Å; A360-Y362 PolarHBondContact O-N 2.82Å; Y362-C365 PolarHBondContact O-N 3.34Å; Y362-F366 WeakPolarHBondContact O-CB 3.47Å; Y362-F366 PolarHBondContact O-N 3.09Å; Y362-V385 HydrophobicContact CD1-CG1 3.8Å; Y362-V385 HydrophobicContact CD1-CG2 4.32Å; Y362-V385 HydrophobicContact CE1-CG1 4.13Å; Y362-V385 HydrophobicContact CE1-CG2 4.14Å; Y362-A405 HydrophobicContact CD1-CB 3.88Å; Y362-A405 HydrophobicContact CD2-CB 3.73Å; Y362-A405 HydrophobicContact CE1-CB 4.41Å; Y362-A405 HydrophobicContact CE2-CB 4.29Å; Y362-A405 HydrophobicContact CG-CB 3.49Å; Y362-A405 VanDerWaalsContact CG-CB 3.49Å
363	S	98.6	Very high	96.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64	-47.6	174.1	-58.7	0	0	0	0	111.9	L264 W268 F359 A360 C365 F366 I367	L264-S363 WeakPolarHBondContact CD2-OG 3.21Å; W268-S363 PolarHBondContact NE1-OG 3.45Å; F359-S363 VanDerWaalsContact O-CB 3.22Å; F359-S363 WeakPolarHBondContact O-CB 3.44Å; F359-S363 PolarHBondContact O-N 3.02Å; F359-S363 PolarHBondContact O-OG 2.74Å; A360-S363 PolarHBondContact O-N 2.96Å; S363-C365 VanDerWaalsContact C-N 3.31Å; S363-C365 PolarHBondContact O-N 2.85Å; S363-F366 PolarHBondContact O-N 3.15Å; S363-F366 VanDerWaalsContact O-N 3.17Å; S363-I367 WeakPolarHBondContact O-CD1 3.4Å; S363-I367 VanDerWaalsContact O-CG1 3.28Å; S363-I367 WeakPolarHBondContact O-CG1 3.39Å; S363-I367 PolarHBondContact O-N 2.97Å
364	L	98.6	Very high	96	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-51.2	-50.6	173.4	172	66.1	0	0	0	111.4	I145 L244 F247 A360 L361 F366 I367 A368 L376	I145-L364 HydrophobicContact CG2-CD1 3.88Å; I145-L364 HydrophobicContact CG2-CD2 3.57Å; I145-L364 HydrophobicContact CG2-CG 4.38Å; L244-L364 HydrophobicContact CD1-CB 3.8Å; L244-L364 HydrophobicContact CD1-CD1 4.03Å; L244-L364 HydrophobicContact CD1-CG 4.41Å; F247-L364 HydrophobicContact CD1-CD1 4.16Å; F247-L364 HydrophobicContact CE1-CD1 3.77Å; A360-L364 VanDerWaalsContact O-CB 3.31Å; A360-L364 WeakPolarHBondContact O-CB 3.44Å; A360-L364 PolarHBondContact O-N 2.84Å; L361-L364 HydrophobicContact CD2-CD2 4.4Å; L364-F366 PolarHBondContact O-N 2.79Å; L364-I367 PolarHBondContact O-N 2.8Å; L364-A368 WeakPolarHBondContact O-CB 3.39Å; L364-A368 PolarHBondContact O-N 3.42Å; L364-L376 HydrophobicContact CD2-CD2 4.43Å
365	C	98.3	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.6	-29.2	-178.4	-73.7	0	0	0	0	113.5	L361 Y362 S363 R369 C374 V385 T387	L361-C365 WeakPolarHBondContact O-CB 3.4Å; L361-C365 PolarHBondContact O-N 2.83Å; L361-C365 PolarHBondContact O-SG 2.84Å; L361-C365 VanDerWaalsContact O-SG 3.33Å; Y362-C365 PolarHBondContact O-N 3.34Å; S363-C365 VanDerWaalsContact C-N 3.31Å; S363-C365 PolarHBondContact O-N 2.85Å; C365-R369 CarbonylContact O-C 3.56Å; C365-R369 VanDerWaalsContact O-C 3.25Å; C365-R369 WeakPolarHBondContact O-CA 3.33Å; C365-R369 PolarHBondContact O-N 3.18Å; C365-C374 WeakPolarHBondContact CA-SG 3.48Å; C365-C374 HydrophobicContact CB-CB 3.41Å; C365-C374 VanDerWaalsContact CB-CB 3.41Å; C365-C374 WeakPolarHBondContact CB-SG 3.32Å; C365-C374 WeakPolarHBondContact SG-CB 3.5Å; C365-C374 CovalentContact SG-SG 2.04Å; C365-C374 PolarHBondContact SG-SG 2.76Å; C365-V385 HydrophobicContact CB-CB 4.39Å; C365-V385 HydrophobicContact CB-CG1 3.89Å; C365-T387 HydrophobicContact CB-CG2 3.92Å; C365-T387 PolarHBondContact O-OG1 2.84Å
366	F	97.4	Very high	95.9	Very high	15 Å²	15	21.5 Å²	21.5	7%	0.066	11%	0.112	C	C	.	.	H	α-helix	trans	-70.5	-44.7	172.8	-174.6	-109.9	0	0	0	112	M267 Y362 S363 L364 P370 T387 T389 K400 H401 I402	M267-F366 HydrophobicContact CE-CD1 3.97Å; M267-F366 HydrophobicContact CE-CE1 4.39Å; M267-F366 HydrophobicContact CG-CD1 3.8Å; M267-F366 HydrophobicContact CG-CE1 3.88Å; M267-F366 HydrophobicContact SD-CD1 3.57Å; M267-F366 VanDerWaalsContact SD-CD1 3.57Å; M267-F366 HydrophobicContact SD-CE1 4.22Å; M267-F366 HydrophobicContact SD-CG 4.43Å; Y362-F366 WeakPolarHBondContact O-CB 3.47Å; Y362-F366 PolarHBondContact O-N 3.09Å; S363-F366 PolarHBondContact O-N 3.15Å; S363-F366 VanDerWaalsContact O-N 3.17Å; L364-F366 PolarHBondContact O-N 2.79Å; F366-P370 HydrophobicContact CE2-CB 4.49Å; F366-P370 WeakPolarHBondContact O-CB 3.33Å; F366-P370 WeakPolarHBondContact O-CD 3.29Å; F366-T387 HydrophobicContact CB-CG2 4.16Å; F366-T389 HydrophobicContact CE2-CG2 4.32Å; F366-T389 HydrophobicContact CZ-CG2 4.28Å; F366-K400 VanDerWaalsContact CE1-O 3.24Å; F366-K400 WeakPolarHBondContact CE1-O 3.46Å; F366-K400 HydrophobicContact CZ-CB 4.35Å; F366-K400 WeakPolarHBondContact CZ-O 3.34Å; F366-H401 WeakPolarHBondContact CZ-O 3.11Å; F366-I402 HydrophobicContact CB-CD1 3.82Å; F366-I402 HydrophobicContact CB-CG1 4.4Å; F366-I402 HydrophobicContact CD1-CB 4.42Å; F366-I402 HydrophobicContact CD2-CB 4.08Å; F366-I402 HydrophobicContact CD2-CD1 4.02Å; F366-I402 HydrophobicContact CD2-CG1 3.66Å; F366-I402 HydrophobicContact CE1-CB 4.48Å; F366-I402 HydrophobicContact CE2-CB 4.16Å; F366-I402 HydrophobicContact CE2-CG1 4.08Å; F366-I402 HydrophobicContact CG-CB 4.21Å; F366-I402 HydrophobicContact CG-CD1 3.96Å; F366-I402 HydrophobicContact CG-CG1 4Å; F366-I402 HydrophobicContact CZ-CB 4.35Å
367	I	95.5	Very high	95.7	Very high	22 Å²	22	22.2 Å²	22.2	11%	0.113	12%	0.118	C	C	.	.	H	α-helix	trans	-68.5	-43.6	179	-63	160.2	0	0	0	111.1	L248 R253 Y254 F260 M267 S363 L364	L248-I367 HydrophobicContact CD1-CD1 3.68Å; L248-I367 HydrophobicContact CD2-CD1 4.4Å; L248-I367 HydrophobicContact CD2-CG2 4.04Å; R253-I367 HydrophobicContact CG-CG2 4.39Å; Y254-I367 HydrophobicContact CE2-CD1 4.14Å; Y254-I367 WeakPolarHBondContact OH-CD1 3.36Å; F260-I367 HydrophobicContact CE2-CD1 4.33Å; M267-I367 HydrophobicContact CE-CD1 4.1Å; M267-I367 HydrophobicContact CE-CG1 3.87Å; S363-I367 WeakPolarHBondContact O-CD1 3.4Å; S363-I367 VanDerWaalsContact O-CG1 3.28Å; S363-I367 WeakPolarHBondContact O-CG1 3.39Å; S363-I367 PolarHBondContact O-N 2.97Å; L364-I367 PolarHBondContact O-N 2.8Å
368	A	94.8	Very high	95.5	Very high	11 Å²	11	22.3 Å²	22.3	9%	0.091	12%	0.118	C	C	.	.	H	α-helix	trans	-86.5	-27.2	-173.8	0	0	0	0	0	114.4	I137 I142 L364	I137-A368 HydrophobicContact CB-CB 4.37Å; I137-A368 HydrophobicContact CD1-CB 3.86Å; I142-A368 HydrophobicContact CD1-CB 3.83Å; I142-A368 HydrophobicContact CG1-CB 4.25Å; L364-A368 WeakPolarHBondContact O-CB 3.39Å; L364-A368 PolarHBondContact O-N 3.42Å
369	R	92.9	Very high	95.3	Very high	56 Å²	56	23.9 Å²	23.9	21%	0.211	14%	0.135	C	C	.	.	S	Bend	trans	-145.2	49.7	-171.1	-64.6	-64.9	-176.6	-86.4	-2.6	113.2	I137 I142 C365 G371 K372 C374	I137-R369 VanDerWaalsContact O-CZ 3.22Å; I137-R369 PolarHBondContact O-NH1 3.44Å; I137-R369 PolarHBondContact O-NH2 3.06Å; I142-R369 HydrophobicContact CD1-CG 3.95Å; C365-R369 CarbonylContact O-C 3.56Å; C365-R369 VanDerWaalsContact O-C 3.25Å; C365-R369 WeakPolarHBondContact O-CA 3.33Å; C365-R369 PolarHBondContact O-N 3.18Å; R369-G371 PolarHBondContact O-N 2.84Å; R369-K372 HydrophobicContact CB-CB 4.29Å; R369-K372 PolarHBondContact O-N 2.72Å; R369-C374 HydrophobicContact CB-CB 4.11Å; R369-C374 HydrophobicContact CG-CB 4.3Å
370	P	89.4	Confident	95.1	Very high	37 Å²	37	26.7 Å²	26.7	24%	0.24	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130.3	-176.8	24.3	-32.2	0	0	0	111.8	F130 F366 K372	F130-P370 HydrophobicContact CE2-CG 4.01Å; F130-P370 HydrophobicContact CZ-CG 4.03Å; F366-P370 HydrophobicContact CE2-CB 4.49Å; F366-P370 WeakPolarHBondContact O-CB 3.33Å; F366-P370 WeakPolarHBondContact O-CD 3.29Å; P370-K372 PolarHBondContact O-N 3.43Å; P370-K372 VanDerWaalsContact O-N 3.09Å
371	G	86.6	Confident	94.9	Very high	25 Å²	25	31.9 Å²	31.9	26%	0.258	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	-9.1	-178.3	0	0	0	0	0	115.9	R369 R386 T387	R369-G371 PolarHBondContact O-N 2.84Å; G371-R386 PolarHBondContact O-NH2 3.37Å; G371-T387 CarbonylContact C-O 3.55Å; G371-T387 WeakPolarHBondContact CA-O 3.34Å; G371-T387 PolarHBondContact N-O 3.16Å
372	K	89	Confident	94.7	Very high	141 Å²	141	36.3 Å²	36.3	61%	0.613	21%	0.213	S	C	*	.	S	Bend	trans	-106.6	169.6	-172.6	-66.2	172.4	-176.6	171.9	0	110.7	R369 P370	R369-K372 HydrophobicContact CB-CB 4.29Å; R369-K372 PolarHBondContact O-N 2.72Å; P370-K372 PolarHBondContact O-N 3.43Å; P370-K372 VanDerWaalsContact O-N 3.09Å
373	V	91.6	Very high	94.5	Very high	65 Å²	65	36.7 Å²	36.7	39%	0.394	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.6	171.9	-177.7	0	0	0	0	109	A384	V373-A384 HydrophobicContact CG1-CB 3.87Å
374	C	96.3	Very high	94.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.8	175.7	-176.1	0	0	0	0	108.9	C365 R369 A384 V385	C365-C374 WeakPolarHBondContact CA-SG 3.48Å; C365-C374 HydrophobicContact CB-CB 3.41Å; C365-C374 VanDerWaalsContact CB-CB 3.41Å; C365-C374 WeakPolarHBondContact CB-SG 3.32Å; C365-C374 WeakPolarHBondContact SG-CB 3.5Å; C365-C374 CovalentContact SG-SG 2.04Å; C365-C374 PolarHBondContact SG-SG 2.76Å; R369-C374 HydrophobicContact CB-CB 4.11Å; R369-C374 HydrophobicContact CG-CB 4.3Å; C374-A384 CarbonylContact O-C 3.56Å; C374-A384 WeakPolarHBondContact O-CA 3.44Å; C374-V385 HydrophobicContact CB-CB 4.33Å; C374-V385 WeakPolarHBondContact CB-O 3.4Å; C374-V385 PolarHBondContact N-O 3.02Å; C374-V385 PolarHBondContact O-N 2.95Å
375	Q	96.1	Very high	94.2	Very high	77 Å²	77	37.3 Å²	37.3	36%	0.36	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	113.2	-177	-69.8	-71.7	-26.2	0	0	109.5	K139 I142 Q143	K139-Q375 HydrophobicContact CG-CB 4.29Å; I142-Q375 VanDerWaalsContact CG2-O 3.31Å; I142-Q375 WeakPolarHBondContact CG2-O 3.36Å; Q143-Q375 WeakPolarHBondContact CG-O 3.27Å
376	L	97.3	Very high	94.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	175.4	-177.4	-55.2	-172.4	0	0	0	111.4	I142 Q143 L361 L364 L383 V385	I142-L376 HydrophobicContact CG2-CD2 3.42Å; I142-L376 VanDerWaalsContact CG2-CD2 3.42Å; Q143-L376 PolarHBondContact NE2-O 2.91Å; L361-L376 HydrophobicContact CB-CD1 4.33Å; L361-L376 HydrophobicContact CD1-CD1 4.05Å; L361-L376 HydrophobicContact CD2-CD1 4.18Å; L361-L376 HydrophobicContact CG-CD1 4.43Å; L364-L376 HydrophobicContact CD2-CD2 4.43Å; L376-L383 WeakPolarHBondContact CA-O 3.43Å; L376-L383 HydrophobicContact CB-CB 4.37Å; L376-L383 WeakPolarHBondContact CB-O 3.4Å; L376-L383 PolarHBondContact N-O 3.2Å; L376-L383 PolarHBondContact O-N 3.39Å; L376-V385 HydrophobicContact CD1-CG2 3.76Å
377	S	96.1	Very high	94	Very high	18 Å²	18	40.5 Å²	40.5	13%	0.126	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.9	160	-179.8	0	0	0	0	109	S146 E147 Y381	S146-S377 CarbonylContact C-O 3.57Å; S146-S377 WeakPolarHBondContact CB-O 3.32Å; S146-S377 PolarHBondContact OG-N 3.48Å; S146-S377 PolarHBondContact OG-O 2.87Å; E147-S377 PolarHBondContact N-O 2.89Å; E147-S377 VanDerWaalsContact OE1-C 3.26Å; E147-S377 PolarHBondContact OE1-OG 3.42Å; S377-Y381 WeakPolarHBondContact CA-O 3.45Å
378	L	94.8	Very high	93.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	116	176.1	-56.5	175.4	0	0	0	109.6	E147 Y150 W326 F350 F357 L361 G380 Y381 L383	E147-L378 VanDerWaalsContact OE1-C 3.28Å; E147-L378 WeakPolarHBondContact OE1-CA 3.48Å; E147-L378 PolarHBondContact OE1-N 3.26Å; Y150-L378 HydrophobicContact CD2-CB 3.99Å; Y150-L378 HydrophobicContact CD2-CD2 4.35Å; Y150-L378 HydrophobicContact CE2-CB 4.47Å; Y150-L378 HydrophobicContact CG-CB 4.33Å; Y150-L378 HydrophobicContact CG-CD2 4.44Å; W326-L378 HydrophobicContact CZ2-CB 4Å; W326-L378 PolarHBondContact NE1-O 3.38Å; F350-L378 HydrophobicContact CE1-CD1 3.64Å; F350-L378 HydrophobicContact CZ-CD1 4.04Å; F357-L378 HydrophobicContact CE2-CD2 4.16Å; F357-L378 HydrophobicContact CZ-CD1 4Å; F357-L378 HydrophobicContact CZ-CD2 3.92Å; L361-L378 HydrophobicContact CD1-CD1 4.36Å; L361-L378 HydrophobicContact CD1-CD2 3.92Å; L378-G380 PolarHBondContact O-N 2.74Å; L378-Y381 PolarHBondContact N-O 3.05Å; L378-Y381 PolarHBondContact O-N 3.4Å; L378-Y381 VanDerWaalsContact O-N 3.08Å; L378-L383 HydrophobicContact CD1-CB 4.41Å; L378-L383 HydrophobicContact CD1-CD2 3.52Å
379	G	94.3	Very high	93.7	Very high	34 Å²	34	44.4 Å²	44.4	35%	0.351	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	23.6	-178.2	0	0	0	0	0	114.2	E147 Y150	E147-G379 PolarHBondContact OE1-N 3.18Å; Y150-G379 VanDerWaalsContact CE1-CA 3.48Å
380	G	94.3	Very high	93.5	Very high	59 Å²	59	43.1 Å²	43.1	61%	0.608	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	-5	-174.5	0	0	0	0	0	115.4	E147 L378	E147-G380 PolarHBondContact OE1-N 3.04Å; L378-G380 PolarHBondContact O-N 2.74Å
381	Y	94.6	Very high	93.3	Very high	108 Å²	108	46.7 Å²	46.7	42%	0.424	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.9	177.7	-66.7	-87.6	0	0	0	111.3	P325 W326 S377 L378	P325-Y381 HydrophobicContact CB-CD1 3.76Å; P325-Y381 HydrophobicContact CB-CE1 3.58Å; P325-Y381 HydrophobicContact CB-CG 4.44Å; P325-Y381 HydrophobicContact CG-CD1 3.5Å; P325-Y381 HydrophobicContact CG-CE1 3.89Å; P325-Y381 HydrophobicContact CG-CG 3.86Å; W326-Y381 HydrophobicContact CZ2-CG 4.38Å; W326-Y381 AromaticContact NE1-CD2 3.64Å; S377-Y381 WeakPolarHBondContact CA-O 3.45Å; L378-Y381 PolarHBondContact N-O 3.05Å; L378-Y381 PolarHBondContact O-N 3.4Å; L378-Y381 VanDerWaalsContact O-N 3.08Å
382	P	94.3	Very high	93.3	Very high	93 Å²	93	52.7 Å²	52.7	60%	0.604	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	134.2	177	30.2	-34	0	0	0	110.5
383	L	94.1	Very high	93.1	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.5	171.3	-170	65.7	0	0	0	109.8	W326 V332 F350 L376 L378 I407	W326-L383 HydrophobicContact CH2-CD1 4.15Å; V332-L383 HydrophobicContact CG1-CD1 4.5Å; V332-L383 HydrophobicContact CG2-CD1 4.15Å; V332-L383 HydrophobicContact CG2-CD2 4.11Å; F350-L383 HydrophobicContact CE1-CD2 3.49Å; F350-L383 VanDerWaalsContact CE1-CD2 3.49Å; F350-L383 HydrophobicContact CZ-CD2 3.53Å; L376-L383 WeakPolarHBondContact CA-O 3.43Å; L376-L383 HydrophobicContact CB-CB 4.37Å; L376-L383 WeakPolarHBondContact CB-O 3.4Å; L376-L383 PolarHBondContact N-O 3.2Å; L376-L383 PolarHBondContact O-N 3.39Å; L378-L383 HydrophobicContact CD1-CB 4.41Å; L378-L383 HydrophobicContact CD1-CD2 3.52Å; L383-I407 HydrophobicContact CD1-CG2 3.58Å; L383-I407 HydrophobicContact CD2-CG2 4.3Å; L383-I407 HydrophobicContact CG-CG2 4.12Å
384	A	94.9	Very high	92.9	Very high	13 Å²	13	48.4 Å²	48.4	11%	0.107	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.6	173.6	0	0	0	0	0	110.6	V373 C374 I407 V408	V373-A384 HydrophobicContact CG1-CB 3.87Å; C374-A384 CarbonylContact O-C 3.56Å; C374-A384 WeakPolarHBondContact O-CA 3.44Å; A384-I407 CarbonylContact O-C 3.48Å; A384-V408 HydrophobicContact CB-CB 3.87Å; A384-V408 HydrophobicContact CB-CG2 4.43Å; A384-V408 PolarHBondContact O-N 3.01Å
385	V	96.7	Very high	92.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.2	169.9	166.5	0	0	0	0	108	Y362 C365 C374 L376 T387	Y362-V385 HydrophobicContact CD1-CG1 3.8Å; Y362-V385 HydrophobicContact CD1-CG2 4.32Å; Y362-V385 HydrophobicContact CE1-CG1 4.13Å; Y362-V385 HydrophobicContact CE1-CG2 4.14Å; C365-V385 HydrophobicContact CB-CB 4.39Å; C365-V385 HydrophobicContact CB-CG1 3.89Å; C374-V385 HydrophobicContact CB-CB 4.33Å; C374-V385 WeakPolarHBondContact CB-O 3.4Å; C374-V385 PolarHBondContact N-O 3.02Å; C374-V385 PolarHBondContact O-N 2.95Å; L376-V385 HydrophobicContact CD1-CG2 3.76Å; V385-T387 HydrophobicContact CG1-CG2 4.16Å
386	R	94.6	Very high	91.8	Very high	81 Å²	81	49.4 Å²	49.4	31%	0.306	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.2	167.8	-172.6	170.5	-168.8	172.2	5.2	109.8	G371 Y388 A405 Y406 V408	G371-R386 PolarHBondContact O-NH2 3.37Å; R386-Y388 HydrophobicContact CG-CD2 4.18Å; R386-Y388 HydrophobicContact CG-CE2 3.77Å; R386-Y388 PolarHBondContact NE-OH 3.17Å; R386-Y388 PolarHBondContact NH1-OH 3.05Å; R386-A405 WeakPolarHBondContact O-CA 3.41Å; R386-Y406 PolarHBondContact N-O 2.88Å; R386-Y406 PolarHBondContact O-N 2.71Å; R386-Y406 VanDerWaalsContact O-N 3.09Å; R386-V408 HydrophobicContact CB-CG2 3.59Å
387	T	95.4	Very high	90.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	154.3	170.4	62.8	0	0	0	0	109.9	C365 F366 G371 V385 I402 T404 A405	C365-T387 HydrophobicContact CB-CG2 3.92Å; C365-T387 PolarHBondContact O-OG1 2.84Å; F366-T387 HydrophobicContact CB-CG2 4.16Å; G371-T387 CarbonylContact C-O 3.55Å; G371-T387 WeakPolarHBondContact CA-O 3.34Å; G371-T387 PolarHBondContact N-O 3.16Å; V385-T387 HydrophobicContact CG1-CG2 4.16Å; T387-I402 HydrophobicContact CG2-CD1 4.1Å; T387-T404 CarbonylContact C-O 3.54Å; T387-T404 WeakPolarHBondContact CA-O 3.35Å; T387-A405 HydrophobicContact CG2-CB 4.05Å
388	Y	92.5	Very high	90.3	Very high	87 Å²	87	57.6 Å²	57.6	34%	0.341	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148	169.6	-70.9	-109.6	0	0	0	110.5	R386 A403 T404 Y406	R386-Y388 HydrophobicContact CG-CD2 4.18Å; R386-Y388 HydrophobicContact CG-CE2 3.77Å; R386-Y388 PolarHBondContact NE-OH 3.17Å; R386-Y388 PolarHBondContact NH1-OH 3.05Å; Y388-A403 WeakPolarHBondContact O-CB 3.33Å; Y388-A403 PolarHBondContact O-N 2.96Å; Y388-T404 HydrophobicContact CD2-CG2 3.47Å; Y388-T404 VanDerWaalsContact CD2-CG2 3.47Å; Y388-T404 HydrophobicContact CE2-CG2 4.24Å; Y388-T404 HydrophobicContact CG-CG2 4.07Å; Y388-T404 PolarHBondContact N-O 2.75Å; Y388-Y406 HydrophobicContact CD2-CE1 4.33Å; Y388-Y406 AromaticContact CE2-CE1 3.89Å; Y388-Y406 HydrophobicContact CE2-CE1 3.89Å
389	T	91.4	Very high	89.9	Confident	29 Å²	29	61 Å²	61	18%	0.178	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	143.1	-179.9	-45.1	0	0	0	0	111	F366 D391 K400	F366-T389 HydrophobicContact CE2-CG2 4.32Å; F366-T389 HydrophobicContact CZ-CG2 4.28Å; T389-D391 WeakPolarHBondContact CB-OD1 3.36Å; T389-D391 WeakPolarHBondContact CG2-OD1 3.49Å; T389-D391 PolarHBondContact O-N 3.3Å; T389-K400 HydrophobicContact CG2-CB 3.33Å; T389-K400 HydrophobicContact CG2-CD 3.98Å; T389-K400 HydrophobicContact CG2-CG 3.6Å
390	W	89.4	Confident	89.8	Confident	29 Å²	29	62.1 Å²	62.1	11%	0.11	35%	0.351	C	S	.	.			trans	-87.2	96.8	165.9	-178.4	-98.5	0	0	0	110.8	Y272 S273 R274 K392 S393 K400 H401 A403	Y272-W390 HydrophobicContact CD1-CB 3.8Å; Y272-W390 AromaticContact CD1-CD1 3.73Å; Y272-W390 HydrophobicContact CD1-CD2 4.06Å; Y272-W390 AromaticContact CD1-CG 3.54Å; Y272-W390 HydrophobicContact CD1-CG 3.54Å; Y272-W390 HydrophobicContact CD2-CD2 4.26Å; Y272-W390 HydrophobicContact CD2-CE3 4.5Å; Y272-W390 HydrophobicContact CE1-CB 3.87Å; Y272-W390 HydrophobicContact CE1-CG 4.03Å; Y272-W390 AromaticContact CG-CD1 3.87Å; Y272-W390 AromaticContact CG-CD2 3.9Å; Y272-W390 HydrophobicContact CG-CD2 3.9Å; Y272-W390 AromaticContact CG-CE2 3.97Å; Y272-W390 AromaticContact CG-CG 3.82Å; Y272-W390 HydrophobicContact CG-CG 3.82Å; Y272-W390 AromaticContact CG-NE1 3.94Å; S273-W390 WeakPolarHBondContact O-CH2 3.26Å; S273-W390 WeakPolarHBondContact O-CZ2 3.49Å; R274-W390 HydrophobicContact CG-CH2 4.01Å; R274-W390 HydrophobicContact CG-CZ3 3.9Å; W390-K392 HydrophobicContact CH2-CD 3.87Å; W390-K392 HydrophobicContact CH2-CG 4.17Å; W390-K392 HydrophobicContact CZ2-CB 3.85Å; W390-K392 HydrophobicContact CZ2-CD 3.49Å; W390-K392 VanDerWaalsContact CZ2-CD 3.49Å; W390-K392 HydrophobicContact CZ2-CG 3.65Å; W390-S393 PolarHBondContact NE1-OG 3.44Å; W390-S393 VanDerWaalsContact NE1-OG 3.12Å; W390-K400 VanDerWaalsContact O-CD 3.32Å; W390-K400 WeakPolarHBondContact O-CD 3.48Å; W390-H401 HydrophobicContact CB-CB 4.15Å; W390-H401 PolarHBondContact N-O 3.45Å; W390-A403 HydrophobicContact CB-CB 4.21Å; W390-A403 HydrophobicContact CE3-CB 4.44Å
391	D	85.4	Confident	89.7	Confident	111 Å²	111	59.8 Å²	59.8	59%	0.594	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.2	-168.9	-65.1	-46.7	0	0	0	115.4	T389 S393 K400	T389-D391 WeakPolarHBondContact CB-OD1 3.36Å; T389-D391 WeakPolarHBondContact CG2-OD1 3.49Å; T389-D391 PolarHBondContact O-N 3.3Å; D391-S393 PolarHBondContact O-N 3.46Å; D391-K400 PolarHBondContact O-NZ 2.75Å
392	K	85.8	Confident	89.7	Confident	151 Å²	151	54.6 Å²	54.6	66%	0.657	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.9	-173.8	-52.1	-167.7	-155.8	159.7	0	115	S273 W390	S273-K392 PolarHBondContact O-NZ 2.83Å; W390-K392 HydrophobicContact CH2-CD 3.87Å; W390-K392 HydrophobicContact CH2-CG 4.17Å; W390-K392 HydrophobicContact CZ2-CB 3.85Å; W390-K392 HydrophobicContact CZ2-CD 3.49Å; W390-K392 VanDerWaalsContact CZ2-CD 3.49Å; W390-K392 HydrophobicContact CZ2-CG 3.65Å
393	S	85.4	Confident	89.6	Confident	39 Å²	39	50.8 Å²	50.8	27%	0.273	28%	0.28	S	S	.	.			trans	-131.9	176.7	179.1	57	0	0	0	0	110.8	W390 D391 K400	W390-S393 PolarHBondContact NE1-OG 3.44Å; W390-S393 VanDerWaalsContact NE1-OG 3.12Å; D391-S393 PolarHBondContact O-N 3.46Å; S393-K400 WeakPolarHBondContact O-CD 3.47Å; S393-K400 PolarHBondContact O-NZ 2.7Å
394	T	87.3	Confident	89.6	Confident	77 Å²	77	51.1 Å²	51.1	47%	0.472	28%	0.282	S	S	.	.			trans	-146.9	159.5	173.2	46.9	0	0	0	0	109.9	G398 K399 K400	T394-G398 WeakPolarHBondContact CG2-O 3.43Å; T394-K399 CarbonylContact C-O 3.48Å; T394-K399 WeakPolarHBondContact CA-O 3.33Å; T394-K399 WeakPolarHBondContact CB-O 3.32Å; T394-K400 HydrophobicContact CG2-CD 3.96Å; T394-K400 VanDerWaalsContact CG2-CE 3.48Å; T394-K400 VanDerWaalsContact CG2-NZ 3.3Å
395	Y	86.8	Confident	89.7	Confident	27 Å²	27	50.5 Å²	50.5	11%	0.106	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-127.1	155.4	168.8	65.7	-94.9	0	0	0	110.7	D263 N266 N397 G398 K399 K400 H401	D263-Y395 WeakPolarHBondContact OD1-CE2 3.35Å; D263-Y395 VanDerWaalsContact OD1-CZ 3.3Å; D263-Y395 PolarHBondContact OD1-OH 2.9Å; N266-Y395 HydrophobicContact CB-CD1 4.04Å; N266-Y395 HydrophobicContact CB-CD2 3.37Å; N266-Y395 HydrophobicContact CB-CE1 3.97Å; N266-Y395 HydrophobicContact CB-CE2 3.33Å; N266-Y395 HydrophobicContact CB-CG 3.74Å; Y395-N397 PolarHBondContact O-N 3.1Å; Y395-G398 PolarHBondContact O-N 3.27Å; Y395-K399 HydrophobicContact CD1-CB 4.45Å; Y395-K399 HydrophobicContact CD2-CB 3.94Å; Y395-K399 HydrophobicContact CE1-CB 4.09Å; Y395-K399 HydrophobicContact CE2-CB 3.49Å; Y395-K399 VanDerWaalsContact CE2-CB 3.49Å; Y395-K399 HydrophobicContact CE2-CD 3.95Å; Y395-K399 HydrophobicContact CE2-CG 4.32Å; Y395-K399 HydrophobicContact CG-CB 4.4Å; Y395-K399 PolarHBondContact N-O 2.88Å; Y395-K399 PolarHBondContact O-N 3.47Å; Y395-K400 VanDerWaalsContact CE1-C 3.44Å; Y395-K400 WeakPolarHBondContact CE1-O 3.44Å; Y395-H401 AromaticContact CD1-CE1 3.45Å; Y395-H401 VanDerWaalsContact CD1-CE1 3.45Å; Y395-H401 WeakPolarHBondContact CD1-CE1 3.35Å; Y395-H401 AromaticContact CD1-CG 3.98Å; Y395-H401 AromaticContact CD1-ND1 3.53Å; Y395-H401 AromaticContact CD1-NE2 3.8Å; Y395-H401 AromaticContact CE1-ND1 3.83Å
396	G	82.1	Confident	89.6	Confident	72 Å²	72	53.5 Å²	53.5	74%	0.742	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	-132.9	-177.6	0	0	0	0	0	112.7	G398	G396-G398 PolarHBondContact O-N 3.12Å
397	N	79.3	Confident	89.6	Confident	144 Å²	144	49.7 Å²	49.7	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	54.9	-177.9	-58.7	-2.6	0	0	0	111.9	Y395 K399	Y395-N397 PolarHBondContact O-N 3.1Å; N397-K399 VanDerWaalsContact C-N 3.27Å; N397-K399 PolarHBondContact O-N 2.7Å
398	G	83.1	Confident	89.4	Confident	45 Å²	45	52 Å²	52	46%	0.464	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	8.8	179	0	0	0	0	0	115.5	T394 Y395 G396	T394-G398 WeakPolarHBondContact CG2-O 3.43Å; Y395-G398 PolarHBondContact O-N 3.27Å; G396-G398 PolarHBondContact O-N 3.12Å
399	K	87.1	Confident	88.5	Confident	72 Å²	72	49.6 Å²	49.6	31%	0.313	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-62.7	156.9	177	-67.5	-167.1	178.7	-176.9	0	111.1	D263 T394 Y395 N397	D263-K399 WeakPolarHBondContact OD1-CD 3.38Å; D263-K399 IonicContact OD1-NZ 3.06Å; D263-K399 PolarHBondContact OD1-NZ 3.22Å; D263-K399 IonicContact OD2-NZ 2.79Å; D263-K399 PolarHBondContact OD2-NZ 3.42Å; T394-K399 CarbonylContact C-O 3.48Å; T394-K399 WeakPolarHBondContact CA-O 3.33Å; T394-K399 WeakPolarHBondContact CB-O 3.32Å; Y395-K399 HydrophobicContact CD1-CB 4.45Å; Y395-K399 HydrophobicContact CD2-CB 3.94Å; Y395-K399 HydrophobicContact CE1-CB 4.09Å; Y395-K399 HydrophobicContact CE2-CB 3.49Å; Y395-K399 VanDerWaalsContact CE2-CB 3.49Å; Y395-K399 HydrophobicContact CE2-CD 3.95Å; Y395-K399 HydrophobicContact CE2-CG 4.32Å; Y395-K399 HydrophobicContact CG-CB 4.4Å; Y395-K399 PolarHBondContact N-O 2.88Å; Y395-K399 PolarHBondContact O-N 3.47Å; N397-K399 VanDerWaalsContact C-N 3.27Å; N397-K399 PolarHBondContact O-N 2.7Å
400	K	90.6	Very high	86.8	Confident	58 Å²	58	52.8 Å²	52.8	25%	0.252	31%	0.308	S	S	.	.			trans	-121.6	141.9	-170	-66.7	-78	177	-169.9	0	110.8	F366 T389 W390 D391 S393 T394 Y395	F366-K400 VanDerWaalsContact CE1-O 3.24Å; F366-K400 WeakPolarHBondContact CE1-O 3.46Å; F366-K400 HydrophobicContact CZ-CB 4.35Å; F366-K400 WeakPolarHBondContact CZ-O 3.34Å; T389-K400 HydrophobicContact CG2-CB 3.33Å; T389-K400 HydrophobicContact CG2-CD 3.98Å; T389-K400 HydrophobicContact CG2-CG 3.6Å; W390-K400 VanDerWaalsContact O-CD 3.32Å; W390-K400 WeakPolarHBondContact O-CD 3.48Å; D391-K400 PolarHBondContact O-NZ 2.75Å; S393-K400 WeakPolarHBondContact O-CD 3.47Å; S393-K400 PolarHBondContact O-NZ 2.7Å; T394-K400 HydrophobicContact CG2-CD 3.96Å; T394-K400 VanDerWaalsContact CG2-CE 3.48Å; T394-K400 VanDerWaalsContact CG2-NZ 3.3Å; Y395-K400 VanDerWaalsContact CE1-C 3.44Å; Y395-K400 WeakPolarHBondContact CE1-O 3.44Å
401	H	93.3	Very high	84.5	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.046	35%	0.348	C	S	.	.			trans	-75.4	155.9	175	-43.9	-93	0	0	0	111	N266 G270 Y272 F366 W390 Y395	N266-H401 PolarHBondContact O-ND1 3.46Å; G270-H401 PolarHBondContact O-ND1 2.97Å; Y272-H401 HydrophobicContact CD1-CB 3.57Å; Y272-H401 AromaticContact CD1-CD2 3.89Å; Y272-H401 AromaticContact CD1-CG 3.75Å; Y272-H401 HydrophobicContact CE1-CB 3.54Å; F366-H401 WeakPolarHBondContact CZ-O 3.11Å; W390-H401 HydrophobicContact CB-CB 4.15Å; W390-H401 PolarHBondContact N-O 3.45Å; Y395-H401 AromaticContact CD1-CE1 3.45Å; Y395-H401 VanDerWaalsContact CD1-CE1 3.45Å; Y395-H401 WeakPolarHBondContact CD1-CE1 3.35Å; Y395-H401 AromaticContact CD1-CG 3.98Å; Y395-H401 AromaticContact CD1-ND1 3.53Å; Y395-H401 AromaticContact CD1-NE2 3.8Å; Y395-H401 AromaticContact CE1-ND1 3.83Å
402	I	95	Very high	84.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.1	169.9	-160.6	170.4	0	0	0	109.6	M267 W268 Y272 G283 F366 T387 A405	M267-I402 HydrophobicContact CG-CB 4.32Å; M267-I402 HydrophobicContact CG-CG2 4.47Å; M267-I402 WeakPolarHBondContact O-CG2 3.47Å; M267-I402 PolarHBondContact O-N 3.47Å; W268-I402 HydrophobicContact CD2-CG2 3.74Å; W268-I402 HydrophobicContact CE3-CG2 3.56Å; W268-I402 HydrophobicContact CG-CG2 4.37Å; W268-I402 HydrophobicContact CH2-CD1 3.78Å; W268-I402 HydrophobicContact CH2-CG2 4.15Å; W268-I402 HydrophobicContact CZ2-CD1 3.88Å; W268-I402 HydrophobicContact CZ2-CG2 4.31Å; W268-I402 HydrophobicContact CZ3-CD1 4.36Å; W268-I402 HydrophobicContact CZ3-CG2 3.76Å; Y272-I402 WeakPolarHBondContact CE1-O 3.47Å; Y272-I402 PolarHBondContact OH-O 3.48Å; G283-I402 VanDerWaalsContact CA-O 3.23Å; G283-I402 WeakPolarHBondContact CA-O 3.46Å; F366-I402 HydrophobicContact CB-CD1 3.82Å; F366-I402 HydrophobicContact CB-CG1 4.4Å; F366-I402 HydrophobicContact CD1-CB 4.42Å; F366-I402 HydrophobicContact CD2-CB 4.08Å; F366-I402 HydrophobicContact CD2-CD1 4.02Å; F366-I402 HydrophobicContact CD2-CG1 3.66Å; F366-I402 HydrophobicContact CE1-CB 4.48Å; F366-I402 HydrophobicContact CE2-CB 4.16Å; F366-I402 HydrophobicContact CE2-CG1 4.08Å; F366-I402 HydrophobicContact CG-CB 4.21Å; F366-I402 HydrophobicContact CG-CD1 3.96Å; F366-I402 HydrophobicContact CG-CG1 4Å; F366-I402 HydrophobicContact CZ-CB 4.35Å; T387-I402 HydrophobicContact CG2-CD1 4.1Å; I402-A405 HydrophobicContact CD1-CB 3.87Å
403	A	92.5	Very high	84.4	Confident	12 Å²	12	49.1 Å²	49.1	10%	0.099	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-48.6	175.2	0	0	0	0	0	110.7	R274 H286 Y388 W390	R274-A403 PolarHBondContact NH2-O 3.11Å; H286-A403 PolarHBondContact CD2-O 3.15Å; Y388-A403 WeakPolarHBondContact O-CB 3.33Å; Y388-A403 PolarHBondContact O-N 2.96Å; W390-A403 HydrophobicContact CB-CB 4.21Å; W390-A403 HydrophobicContact CE3-CB 4.44Å
404	T	93.4	Very high	84.3	Confident	16 Å²	16	49.6 Å²	49.6	10%	0.098	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.8	173.5	-162.4	0	0	0	0	110.7	H286 T387 Y388 Y406	H286-T404 VanDerWaalsContact CD2-CB 3.4Å; H286-T404 WeakPolarHBondContact CD2-CB 3.32Å; H286-T404 PolarHBondContact CD2-OG1 2.95Å; H286-T404 VanDerWaalsContact NE2-CB 3.28Å; H286-T404 WeakPolarHBondContact NE2-CB 3.38Å; H286-T404 PolarHBondContact NE2-OG1 3.03Å; T387-T404 CarbonylContact C-O 3.54Å; T387-T404 WeakPolarHBondContact CA-O 3.35Å; Y388-T404 HydrophobicContact CD2-CG2 3.47Å; Y388-T404 VanDerWaalsContact CD2-CG2 3.47Å; Y388-T404 HydrophobicContact CE2-CG2 4.24Å; Y388-T404 HydrophobicContact CG-CG2 4.07Å; Y388-T404 PolarHBondContact N-O 2.75Å; T404-Y406 HydrophobicContact CG2-CD1 3.99Å; T404-Y406 HydrophobicContact CG2-CE1 3.96Å
405	A	96.4	Very high	84.1	Confident	0 Å²	0	48 Å²	48	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	130.1	171.6	0	0	0	0	0	107.3	W268 V287 Y362 R386 T387 I402	W268-A405 HydrophobicContact CH2-CB 4.35Å; V287-A405 HydrophobicContact CG1-CB 4.32Å; V287-A405 HydrophobicContact CG2-CB 4.09Å; V287-A405 VanDerWaalsContact CG2-N 3.32Å; Y362-A405 HydrophobicContact CD1-CB 3.88Å; Y362-A405 HydrophobicContact CD2-CB 3.73Å; Y362-A405 HydrophobicContact CE1-CB 4.41Å; Y362-A405 HydrophobicContact CE2-CB 4.29Å; Y362-A405 HydrophobicContact CG-CB 3.49Å; Y362-A405 VanDerWaalsContact CG-CB 3.49Å; R386-A405 WeakPolarHBondContact O-CA 3.41Å; T387-A405 HydrophobicContact CG2-CB 4.05Å; I402-A405 HydrophobicContact CD1-CB 3.87Å
406	Y	94	Very high	83.9	Confident	63 Å²	63	49.3 Å²	49.3	25%	0.247	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	160.3	174.5	61.8	-87.5	0	0	0	110.6	R386 Y388 T404	R386-Y406 PolarHBondContact N-O 2.88Å; R386-Y406 PolarHBondContact O-N 2.71Å; R386-Y406 VanDerWaalsContact O-N 3.09Å; Y388-Y406 HydrophobicContact CD2-CE1 4.33Å; Y388-Y406 AromaticContact CE2-CE1 3.89Å; Y388-Y406 HydrophobicContact CE2-CE1 3.89Å; T404-Y406 HydrophobicContact CG2-CD1 3.99Å; T404-Y406 HydrophobicContact CG2-CE1 3.96Å
407	I	95	Very high	84.1	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.4	177.6	-61.2	157.5	0	0	0	109.2	V332 S348 F350 L383 A384 S409	V332-I407 HydrophobicContact CG1-CD1 4.02Å; V332-I407 HydrophobicContact CG1-CG2 3.81Å; V332-I407 HydrophobicContact CG2-CD1 4.09Å; S348-I407 WeakPolarHBondContact CB-O 3.49Å; S348-I407 PolarHBondContact OG-N 2.92Å; S348-I407 PolarHBondContact OG-O 3.23Å; F350-I407 HydrophobicContact CB-CD1 4.46Å; F350-I407 HydrophobicContact CD1-CD1 3.93Å; F350-I407 HydrophobicContact CD2-CD1 3.66Å; F350-I407 HydrophobicContact CD2-CG1 4.3Å; F350-I407 HydrophobicContact CE1-CD1 4.05Å; F350-I407 HydrophobicContact CE2-CD1 3.8Å; F350-I407 HydrophobicContact CE2-CG1 3.99Å; F350-I407 HydrophobicContact CG-CD1 3.74Å; F350-I407 HydrophobicContact CZ-CD1 4Å; F350-I407 HydrophobicContact CZ-CG1 4.16Å; L383-I407 HydrophobicContact CD1-CG2 3.58Å; L383-I407 HydrophobicContact CD2-CG2 4.3Å; L383-I407 HydrophobicContact CG-CG2 4.12Å; A384-I407 CarbonylContact O-C 3.48Å; I407-S409 VanDerWaalsContact C-N 3.34Å; I407-S409 PolarHBondContact O-N 2.76Å
408	V	91	Very high	84.4	Confident	50 Å²	50	40.9 Å²	40.9	30%	0.303	26%	0.264	S	S	.	.			trans	-82.4	83.5	173.1	-174.1	0	0	0	0	108.6	A384 R386 S410	A384-V408 HydrophobicContact CB-CB 3.87Å; A384-V408 HydrophobicContact CB-CG2 4.43Å; A384-V408 PolarHBondContact O-N 3.01Å; R386-V408 HydrophobicContact CB-CG2 3.59Å; V408-S410 PolarHBondContact O-N 2.93Å
409	S	74.9	Confident	84.5	Confident	36 Å²	36	40.6 Å²	40.6	25%	0.252	25%	0.249	S	C	.	.			trans	-70.3	102.2	169.4	54.1	0	0	0	0	109.9	A334 I407	A334-S409 WeakPolarHBondContact CB-OG 3.44Å; I407-S409 VanDerWaalsContact C-N 3.34Å; I407-S409 PolarHBondContact O-N 2.76Å
410	S	54.4	Low	84.3	Confident	95 Å²	95	38 Å²	38	66%	0.664	24%	0.243	S	C	*	.			trans	-84.2	118.6	165.5	55.1	0	0	0	0	109.7	V408	V408-S410 PolarHBondContact O-N 2.93Å
411	A	41.1	Very low	83.7	Confident	115 Å²	115	36.2 Å²	36.2	95%	0.95	24%	0.242	S	C	*	.			trans	-93.7	0	160.7	0	0	0	0	0	109.8	P172 I321	P172-A411 HydrophobicContact CG-CB 3.62Å; I321-A411 HydrophobicContact CG2-CB 4.17Å

Retrieved 411 of 411 residues in 112.3 ms (Link to these results)

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