A0A087X296_HUMAN Loading...

Prostaglandin G/H synthase 1

AlphaFold DB , UniProt , Accession A0A087X296, Species HUMAN (Homo sapiens, Human), Gene PTGS1, Length 551 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.7	Low	54.7	Low	222 Å²	222	141.5 Å²	141.5	100%	1.094	70%	0.696	S	S	*	*				0	36.9	0	-84	168.5	65.8	0	0	113.9
2	S	56	Low	54.6	Low	104 Å²	104	142.3 Å²	142.3	73%	0.727	69%	0.693	S	S	*	*			trans	-130.6	1.2	-178.5	-170.9	0	0	0	0	115.6
3	R	50.6	Low	54	Low	230 Å²	230	138.5 Å²	138.5	87%	0.868	68%	0.678	S	S	*	*	S	Bend	trans	-111.9	-13.8	176.1	-77.6	-173.8	173.2	-168.6	-1.9	114.6
4	S	55.8	Low	53.5	Low	84 Å²	84	139.2 Å²	139.2	59%	0.587	69%	0.685	S	S	*	*	H	α-helix	trans	-87.4	-29.1	179.1	176.4	0	0	0	0	113.2	W8	S4-W8 PolarHBondContact O-N 3.31Å
5	L	51	Low	52.9	Low	128 Å²	128	139.1 Å²	139.1	67%	0.67	69%	0.687	S	S	*	*	H	α-helix	trans	-70.5	-34.8	175.4	-89.6	119.7	0	0	0	113.3	F9	L5-F9 WeakPolarHBondContact O-CB 3.29Å; L5-F9 PolarHBondContact O-N 3.16Å; L5-F9 VanDerWaalsContact O-N 3.07Å
6	L	54.5	Low	51.9	Low	123 Å²	123	136.9 Å²	136.9	64%	0.644	68%	0.678	S	S	*	*	H	α-helix	trans	-68.5	-36.8	-179.6	-134.4	94.2	0	0	0	111.9	L10	L6-L10 WeakPolarHBondContact O-CD1 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.49Å; L6-L10 PolarHBondContact O-N 3.5Å
7	L	58	Low	51.2	Low	116 Å²	116	134.9 Å²	134.9	61%	0.607	68%	0.677	S	S	*	*	H	α-helix	trans	-70.4	-39.3	179.4	-131.6	92.7	0	0	0	111.7	L11	L7-L11 PolarHBondContact O-N 3.36Å; L7-L11 VanDerWaalsContact O-N 3.14Å
8	W	54	Low	50.7	Low	200 Å²	200	134.3 Å²	134.3	76%	0.758	69%	0.685	S	S	*	*	H	α-helix	trans	-69.5	-34.9	176.4	-88.2	71.1	0	0	0	112.6	S4 F12	S4-W8 PolarHBondContact O-N 3.31Å; W8-F12 WeakPolarHBondContact O-CB 3.34Å; W8-F12 PolarHBondContact O-N 2.76Å
9	F	57.8	Low	49.9	Very low	147 Å²	147	135.4 Å²	135.4	65%	0.645	69%	0.691	S	S	*	*	H	α-helix	trans	-67.2	-39.6	176.2	-160.1	-96.9	0	0	0	112.4	L5 F12 L13	L5-F9 WeakPolarHBondContact O-CB 3.29Å; L5-F9 PolarHBondContact O-N 3.16Å; L5-F9 VanDerWaalsContact O-N 3.07Å; F9-F12 PolarHBondContact O-N 2.85Å; F9-L13 HydrophobicContact CD1-CD1 3.84Å; F9-L13 HydrophobicContact CE1-CD1 3.86Å; F9-L13 PolarHBondContact O-N 3.38Å
10	L	55.5	Low	49.2	Very low	101 Å²	101	134 Å²	134	53%	0.529	69%	0.692	S	S	.	*	H	α-helix	trans	-70.6	-35.3	177.1	-75.4	162.9	0	0	0	112.8	L6 L14	L6-L10 WeakPolarHBondContact O-CD1 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.49Å; L6-L10 PolarHBondContact O-N 3.5Å; L10-L14 PolarHBondContact O-N 2.75Å
11	L	55.4	Low	48.8	Very low	101 Å²	101	134.2 Å²	134.2	53%	0.529	70%	0.699	S	S	.	*	H	α-helix	trans	-69.5	-32.7	173	-98.3	141.1	0	0	0	112.7	L7 L14	L7-L11 PolarHBondContact O-N 3.36Å; L7-L11 VanDerWaalsContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 2.93Å
12	F	54	Low	47.9	Very low	151 Å²	151	131.1 Å²	131.1	66%	0.662	69%	0.686	S	S	*	*	H	α-helix	trans	-69	-35	175.6	-159.8	-96.2	0	0	0	112.4	W8 F9 L14 L15	W8-F12 WeakPolarHBondContact O-CB 3.34Å; W8-F12 PolarHBondContact O-N 2.76Å; F9-F12 PolarHBondContact O-N 2.85Å; F12-L14 VanDerWaalsContact C-N 3.34Å; F12-L14 PolarHBondContact O-N 3.15Å; F12-L15 PolarHBondContact O-N 3.31Å
13	L	46.8	Very low	47	Very low	94 Å²	94	133.9 Å²	133.9	49%	0.492	69%	0.691	S	S	.	*	H	α-helix	trans	-67.6	-29.7	175.8	-84.5	155.1	0	0	0	113.5	F9 L15 L16	F9-L13 HydrophobicContact CD1-CD1 3.84Å; F9-L13 HydrophobicContact CE1-CD1 3.86Å; F9-L13 PolarHBondContact O-N 3.38Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L16 HydrophobicContact CD2-CD1 4.2Å
14	L	46.8	Very low	46.4	Very low	148 Å²	148	127.4 Å²	127.4	78%	0.775	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-13.1	177.9	-79	160.9	0	0	0	113.7	L10 L11 F12	L10-L14 PolarHBondContact O-N 2.75Å; L11-L14 PolarHBondContact O-N 2.93Å; F12-L14 VanDerWaalsContact C-N 3.34Å; F12-L14 PolarHBondContact O-N 3.15Å
15	L	44.2	Very low	45.4	Very low	138 Å²	138	129.2 Å²	129.2	72%	0.723	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	0.9	179.6	-76.7	163.4	0	0	0	113.4	F12 L13	F12-L15 PolarHBondContact O-N 3.31Å; L13-L15 VanDerWaalsContact C-N 3.33Å
16	L	37.3	Very low	44.9	Very low	104 Å²	104	129.7 Å²	129.7	55%	0.545	70%	0.701	S	S	.	*	S	Bend	trans	-73.7	124.7	173.4	-74.9	164.9	0	0	0	109.5	L13	L13-L16 HydrophobicContact CD2-CD1 4.2Å
17	P	40.8	Very low	44.4	Very low	102 Å²	102	126.6 Å²	126.6	66%	0.662	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-60.2	148.5	172.4	25.8	-32	0	0	0	109.6	L19	P17-L19 PolarHBondContact O-N 3.39Å
18	P	41.3	Very low	43.6	Very low	124 Å²	124	124.3 Å²	124.3	81%	0.805	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-57	131	177.7	24.1	-31.8	0	0	0	109
19	L	35.6	Very low	43.4	Very low	156 Å²	156	120.5 Å²	120.5	82%	0.817	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-51.2	132.1	171.3	-90.6	113	0	0	0	108.3	P17 V21	P17-L19 PolarHBondContact O-N 3.39Å; L19-V21 PolarHBondContact O-N 3.28Å
20	P	35.2	Very low	43.2	Very low	107 Å²	107	119.1 Å²	119.1	70%	0.695	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-57.6	132.8	172.4	23.9	-29.7	0	0	0	107.7	L22	P20-L22 PolarHBondContact O-N 3.18Å
21	V	41.5	Very low	43.5	Very low	139 Å²	139	118 Å²	118	84%	0.842	70%	0.7	S	S	*	*			trans	-49.3	107.2	166.3	174.2	0	0	0	0	106.3	L19 L23	L19-V21 PolarHBondContact O-N 3.28Å; V21-L23 PolarHBondContact O-N 3.27Å
22	L	34.5	Very low	44.6	Very low	156 Å²	156	117.3 Å²	117.3	82%	0.817	70%	0.7	S	S	*	*			trans	-60.3	107.7	172.5	-90.5	154.3	0	0	0	106.4	P20	P20-L22 PolarHBondContact O-N 3.18Å
23	L	36.7	Very low	46.2	Very low	162 Å²	162	112.9 Å²	112.9	85%	0.848	68%	0.683	S	S	*	*			trans	-48.6	137.1	162.9	-82.9	155.4	0	0	0	108.4	V21 D25	V21-L23 PolarHBondContact O-N 3.27Å; L23-D25 PolarHBondContact O-N 2.93Å
24	A	38.7	Very low	48.1	Very low	94 Å²	94	109 Å²	109	78%	0.777	66%	0.664	S	S	*	*			trans	-41.6	132.4	179.6	0	0	0	0	0	112.3
25	D	34.2	Very low	50.2	Low	123 Å²	123	103.3 Å²	103.3	66%	0.658	64%	0.636	S	S	*	*			trans	-53.9	125.7	173.1	-163.8	-6	0	0	0	110.2	L23 G27	L23-D25 PolarHBondContact O-N 2.93Å; D25-G27 PolarHBondContact O-N 2.74Å; D25-G27 PolarHBondContact OD1-N 2.99Å
26	P	39.7	Very low	52.3	Low	137 Å²	137	100.2 Å²	100.2	89%	0.89	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-3.8	177.6	-13.6	27.7	0	0	0	113.4
27	G	44.6	Very low	54.6	Low	58 Å²	58	102.3 Å²	102.3	60%	0.598	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-0.3	-176.9	0	0	0	0	0	116.4	D25	D25-G27 PolarHBondContact O-N 2.74Å; D25-G27 PolarHBondContact OD1-N 2.99Å
28	A	40.2	Very low	57	Low	69 Å²	69	101.3 Å²	101.3	57%	0.57	61%	0.61	S	S	*	*	S	Bend	trans	-71.8	124.5	176.3	0	0	0	0	0	110	T30	A28-T30 PolarHBondContact O-N 2.88Å
29	P	50.8	Low	59.4	Low	119 Å²	119	96 Å²	96	77%	0.773	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-59.2	118.6	176.1	22.7	-29.9	0	0	0	108.2
30	T	53.4	Low	62	Low	119 Å²	119	89.5 Å²	89.5	73%	0.73	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-49.5	130	169	43.6	0	0	0	0	108.1	A28 V32	A28-T30 PolarHBondContact O-N 2.88Å; T30-V32 PolarHBondContact O-N 3.14Å
31	P	61.2	Low	64.7	Low	77 Å²	77	86.9 Å²	86.9	50%	0.5	52%	0.522	S	S	.	.			trans	-55.4	114	-177.5	5.5	-12.1	0	0	0	109.4	N33 D52	P31-N33 PolarHBondContact O-N 2.92Å; P31-D52 HydrophobicContact CB-CB 4.37Å
32	V	79.9	Confident	67	Low	86 Å²	86	84.2 Å²	84.2	52%	0.521	50%	0.5	S	S	.	.			trans	-61.4	131.9	177.9	179.2	0	0	0	0	107.1	T30 P34 Y37	T30-V32 PolarHBondContact O-N 3.14Å; V32-P34 VanDerWaalsContact O-CD 3.27Å; V32-P34 WeakPolarHBondContact O-CD 3.27Å; V32-P34 VanDerWaalsContact O-N 3.09Å; V32-Y37 HydrophobicContact CG1-CE2 4Å
33	N	85.9	Confident	69.7	Low	59 Å²	59	82.2 Å²	82.2	32%	0.316	49%	0.486	S	S	.	.			trans	-60.3	117.6	177.7	179.1	-3.9	0	0	0	108.9	P31 C35 C36	P31-N33 PolarHBondContact O-N 2.92Å; N33-C35 PolarHBondContact O-N 3.1Å; N33-C35 VanDerWaalsContact O-N 3.12Å; N33-C35 PolarHBondContact OD1-N 3.4Å; N33-C35 VanDerWaalsContact OD1-N 3.15Å; N33-C36 WeakPolarHBondContact O-CB 3.28Å; N33-C36 PolarHBondContact O-N 2.9Å; N33-C36 PolarHBondContact O-SG 3.03Å
34	P	87.2	Confident	72.3	Confident	12 Å²	12	75.1 Å²	75.1	8%	0.078	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-63.4	-22	-174.6	23.7	-34.4	0	0	0	113.4	V32 C36 Y37 Y54	V32-P34 VanDerWaalsContact O-CD 3.27Å; V32-P34 WeakPolarHBondContact O-CD 3.27Å; V32-P34 VanDerWaalsContact O-N 3.09Å; P34-C36 PolarHBondContact O-N 2.66Å; P34-Y37 WeakPolarHBondContact O-CD2 3.45Å; P34-Y37 PolarHBondContact O-N 2.82Å; P34-Y54 HydrophobicContact CB-CD1 3.63Å; P34-Y54 HydrophobicContact CB-CE1 4.45Å; P34-Y54 HydrophobicContact CB-CG 4.2Å; P34-Y54 HydrophobicContact CG-CD1 4.27Å
35	C	91.3	Very high	75	Confident	28 Å²	28	75.5 Å²	75.5	19%	0.189	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-72.7	-11.1	174.5	-62.8	0	0	0	0	113.6	N33 Y37 Y38 C46	N33-C35 PolarHBondContact O-N 3.1Å; N33-C35 VanDerWaalsContact O-N 3.12Å; N33-C35 PolarHBondContact OD1-N 3.4Å; N33-C35 VanDerWaalsContact OD1-N 3.15Å; C35-Y37 PolarHBondContact O-N 2.85Å; C35-Y38 PolarHBondContact O-N 3.41Å; C35-C46 WeakPolarHBondContact CA-SG 3.4Å; C35-C46 HydrophobicContact CB-CB 3.86Å; C35-C46 WeakPolarHBondContact CB-SG 3.46Å; C35-C46 WeakPolarHBondContact SG-CB 3.38Å; C35-C46 CovalentContact SG-SG 2.04Å; C35-C46 PolarHBondContact SG-SG 3.14Å
36	C	87.8	Confident	77.8	Confident	74 Å²	74	71.5 Å²	71.5	50%	0.5	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-65.8	-18.7	173.9	-70.1	0	0	0	0	113.3	N33 P34 Y38	N33-C36 WeakPolarHBondContact O-CB 3.28Å; N33-C36 PolarHBondContact O-N 2.9Å; N33-C36 PolarHBondContact O-SG 3.03Å; P34-C36 PolarHBondContact O-N 2.66Å; C36-Y38 VanDerWaalsContact C-N 3.27Å
37	Y	86.8	Confident	80.4	Confident	147 Å²	147	68.6 Å²	68.6	58%	0.576	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-87.9	6.6	177.3	-60	-77.1	0	0	0	113.3	V32 P34 C35 P39	V32-Y37 HydrophobicContact CG1-CE2 4Å; P34-Y37 WeakPolarHBondContact O-CD2 3.45Å; P34-Y37 PolarHBondContact O-N 2.82Å; C35-Y37 PolarHBondContact O-N 2.85Å; Y37-P39 VanDerWaalsContact C-N 3.32Å
38	Y	90.8	Very high	82.6	Confident	81 Å²	81	71.1 Å²	71.1	32%	0.318	39%	0.392	S	S	.	.			trans	44.8	50.9	-174.9	-50.7	-67.6	0	0	0	113.1	C35 C36 C40 Q41 Q412 P413 E416	C35-Y38 PolarHBondContact O-N 3.41Å; C36-Y38 VanDerWaalsContact C-N 3.27Å; Y38-C40 VanDerWaalsContact C-N 3.31Å; Y38-C40 PolarHBondContact O-N 3.46Å; Y38-Q41 PolarHBondContact O-NE2 3.33Å; Y38-Q412 VanDerWaalsContact CE1-CD 3.45Å; Y38-Q412 HydrophobicContact CE1-CG 3.77Å; Y38-P413 HydrophobicContact CE2-CG 4.46Å; Y38-E416 HydrophobicContact CD2-CG 3.82Å; Y38-E416 HydrophobicContact CE2-CG 4.1Å; Y38-E416 HydrophobicContact CG-CG 4.04Å
39	P	90.6	Very high	84.7	Confident	14 Å²	14	74 Å²	74	9%	0.091	39%	0.392	C	S	.	.			trans	-70.2	-26.4	-166.5	28.2	-35.9	0	0	0	113.6	Y37 Q41 Y54 N67	Y37-P39 VanDerWaalsContact C-N 3.32Å; P39-Q41 PolarHBondContact O-N 3.14Å; P39-Y54 HydrophobicContact CB-CD2 4.24Å; P39-Y54 HydrophobicContact CB-CE1 4.34Å; P39-Y54 HydrophobicContact CB-CE2 3.44Å; P39-Y54 VanDerWaalsContact CB-CE2 3.44Å; P39-Y54 VanDerWaalsContact CB-CZ 3.48Å; P39-Y54 WeakPolarHBondContact CB-OH 3.36Å; P39-Y54 HydrophobicContact CG-CD2 3.65Å; P39-Y54 HydrophobicContact CG-CE1 4.32Å; P39-Y54 HydrophobicContact CG-CE2 3.37Å; P39-Y54 HydrophobicContact CG-CG 4.24Å; P39-N67 WeakPolarHBondContact O-CB 3.39Å
40	C	91.5	Very high	86.3	Confident	18 Å²	18	70.7 Å²	70.7	12%	0.122	38%	0.381	C	S	.	.			trans	-84.4	112.2	-176.1	-52.9	0	0	0	0	111.4	Y38 G44 C46 C56	Y38-C40 VanDerWaalsContact C-N 3.31Å; Y38-C40 PolarHBondContact O-N 3.46Å; C40-G44 VanDerWaalsContact CB-O 3.25Å; C40-G44 WeakPolarHBondContact CB-O 3.48Å; C40-C46 HydrophobicContact CB-CB 4.49Å; C40-C46 WeakPolarHBondContact SG-CA 3.49Å; C40-C46 VanDerWaalsContact SG-CB 3.5Å; C40-C56 WeakPolarHBondContact CA-SG 3.36Å; C40-C56 HydrophobicContact CB-CB 3.75Å; C40-C56 WeakPolarHBondContact CB-SG 3.14Å; C40-C56 WeakPolarHBondContact SG-CA 3.47Å; C40-C56 WeakPolarHBondContact SG-CB 3.28Å; C40-C56 CovalentContact SG-SG 2.02Å; C40-C56 PolarHBondContact SG-SG 2.99Å
41	Q	91.9	Very high	87.5	Confident	52 Å²	52	71.6 Å²	71.6	24%	0.243	38%	0.38	C	S	.	.			trans	-88.6	169.7	-177.7	-58.4	-56.3	-59.2	0	0	111.9	Y38 P39 Q43 G44 N67 C68 T69	Y38-Q41 PolarHBondContact O-NE2 3.33Å; P39-Q41 PolarHBondContact O-N 3.14Å; Q41-Q43 VanDerWaalsContact C-N 3.27Å; Q41-Q43 PolarHBondContact O-N 3.05Å; Q41-Q43 VanDerWaalsContact O-N 3.15Å; Q41-G44 PolarHBondContact O-N 2.91Å; Q41-N67 PolarHBondContact N-O 2.9Å; Q41-C68 WeakPolarHBondContact O-CB 3.42Å; Q41-T69 HydrophobicContact CB-CG2 4.04Å; Q41-T69 HydrophobicContact CG-CG2 3.82Å
42	H	90.2	Very high	88.5	Confident	83 Å²	83	73 Å²	73	38%	0.384	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	42.6	172.1	-49.2	106.3	0	0	0	114.2	G44 T61 Y63 C68	H42-G44 VanDerWaalsContact C-N 3.27Å; H42-G44 PolarHBondContact O-N 2.89Å; H42-T61 WeakPolarHBondContact O-CG2 3.38Å; H42-Y63 HydrophobicContact CB-CD2 3.51Å; H42-Y63 HydrophobicContact CB-CE2 3.59Å; H42-Y63 HydrophobicContact CB-CG 4.2Å; H42-Y63 AromaticContact CD2-CE2 3.62Å; H42-Y63 AromaticContact CD2-CZ 3.53Å; H42-Y63 AromaticContact CE1-CD1 3.96Å; H42-Y63 AromaticContact CE1-CE1 3.56Å; H42-Y63 AromaticContact CE1-CZ 3.71Å; H42-Y63 AromaticContact CG-CD2 3.62Å; H42-Y63 AromaticContact CG-CE2 3.39Å; H42-Y63 AromaticContact CG-CZ 3.61Å; H42-Y63 AromaticContact ND1-CD1 3.69Å; H42-Y63 AromaticContact ND1-CD2 3.84Å; H42-Y63 AromaticContact ND1-CE1 3.67Å; H42-Y63 AromaticContact ND1-CE2 3.83Å; H42-Y63 AromaticContact ND1-CG 3.78Å; H42-Y63 AromaticContact ND1-CZ 3.73Å; H42-Y63 AromaticContact NE2-CE1 3.88Å; H42-Y63 AromaticContact NE2-CZ 3.6Å; H42-Y63 PolarHBondContact NE2-OH 3.25Å; H42-C68 PolarHBondContact ND1-O 3.3Å
43	Q	90.1	Very high	88.9	Confident	114 Å²	114	76 Å²	76	53%	0.533	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	13.2	179.9	-47.5	-174.6	5.4	0	0	115.5	Q41 R420	Q41-Q43 VanDerWaalsContact C-N 3.27Å; Q41-Q43 PolarHBondContact O-N 3.05Å; Q41-Q43 VanDerWaalsContact O-N 3.15Å; Q43-R420 VanDerWaalsContact CB-NH1 3.34Å; Q43-R420 PolarHBondContact NE2-O 3Å
44	G	91.5	Very high	89.2	Confident	13 Å²	13	77 Å²	77	13%	0.134	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-60.6	144.9	169.2	0	0	0	0	0	112.1	C40 Q41 H42 D57	C40-G44 VanDerWaalsContact CB-O 3.25Å; C40-G44 WeakPolarHBondContact CB-O 3.48Å; Q41-G44 PolarHBondContact O-N 2.91Å; H42-G44 VanDerWaalsContact C-N 3.27Å; H42-G44 PolarHBondContact O-N 2.89Å; G44-D57 VanDerWaalsContact CA-O 3.28Å; G44-D57 WeakPolarHBondContact CA-O 3.47Å
45	I	94.4	Very high	89.5	Confident	103 Å²	103	82.9 Å²	82.9	53%	0.528	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.1	-176.2	-57.3	173.6	0	0	0	109.4	V47 C56 D57	I45-V47 HydrophobicContact CG2-CG2 4.31Å; I45-V47 PolarHBondContact O-N 3.2Å; I45-C56 WeakPolarHBondContact O-CA 3.35Å; I45-D57 HydrophobicContact CB-CB 4.29Å; I45-D57 PolarHBondContact N-O 2.86Å; I45-D57 PolarHBondContact O-N 2.76Å
46	C	94.3	Very high	89.7	Confident	38 Å²	38	82 Å²	82	26%	0.257	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.7	174.6	-168.5	0	0	0	0	110.7	C35 C40	C35-C46 WeakPolarHBondContact CA-SG 3.4Å; C35-C46 HydrophobicContact CB-CB 3.86Å; C35-C46 WeakPolarHBondContact CB-SG 3.46Å; C35-C46 WeakPolarHBondContact SG-CB 3.38Å; C35-C46 CovalentContact SG-SG 2.04Å; C35-C46 PolarHBondContact SG-SG 3.14Å; C40-C46 HydrophobicContact CB-CB 4.49Å; C40-C46 WeakPolarHBondContact SG-CA 3.49Å; C40-C46 VanDerWaalsContact SG-CB 3.5Å
47	V	93.7	Very high	90	Very high	76 Å²	76	81.9 Å²	81.9	46%	0.461	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120	174.7	-175.7	0	0	0	0	108.3	I45 Y54 Q55	I45-V47 HydrophobicContact CG2-CG2 4.31Å; I45-V47 PolarHBondContact O-N 3.2Å; V47-Y54 CarbonylContact O-C 3.51Å; V47-Y54 VanDerWaalsContact O-CA 3.28Å; V47-Y54 WeakPolarHBondContact O-CA 3.47Å; V47-Q55 PolarHBondContact N-O 2.79Å; V47-Q55 PolarHBondContact O-N 2.89Å
48	R	91.1	Very high	90.3	Very high	111 Å²	111	76 Å²	76	42%	0.419	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.2	174.8	-172.5	177	179.3	169.7	3.3	109.6	L51	R48-L51 PolarHBondContact NH2-O 2.76Å
49	F	85.2	Confident	90.3	Very high	129 Å²	129	76.7 Å²	76.7	57%	0.566	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.1	178	-172.7	-96	0	0	0	110.5	R53	F49-R53 PolarHBondContact N-O 2.85Å; F49-R53 CarbonylContact O-C 3.57Å; F49-R53 WeakPolarHBondContact O-CA 3.43Å; F49-R53 VanDerWaalsContact O-CB 3.3Å; F49-R53 WeakPolarHBondContact O-CB 3.33Å; F49-R53 PolarHBondContact O-N 2.74Å
50	G	84.1	Confident	90.2	Very high	51 Å²	51	87.7 Å²	87.7	53%	0.526	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	-153.7	-173.7	0	0	0	0	0	113
51	L	78.5	Confident	89.9	Confident	138 Å²	138	88.3 Å²	88.3	72%	0.723	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-33.6	-172.6	-65	174.6	0	0	0	113.1	R48	R48-L51 PolarHBondContact NH2-O 2.76Å
52	D	81.9	Confident	89.6	Confident	106 Å²	106	87.5 Å²	87.5	57%	0.567	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.9	4.5	-167.5	62.2	-23.4	0	0	0	114.2	P31	P31-D52 HydrophobicContact CB-CB 4.37Å
53	R	87.3	Confident	89.5	Confident	149 Å²	149	85.5 Å²	85.5	56%	0.562	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	162.7	-178.2	-58.6	179.4	-72.8	-175	-3.4	112.3	F49	F49-R53 PolarHBondContact N-O 2.85Å; F49-R53 CarbonylContact O-C 3.57Å; F49-R53 WeakPolarHBondContact O-CA 3.43Å; F49-R53 VanDerWaalsContact O-CB 3.3Å; F49-R53 WeakPolarHBondContact O-CB 3.33Å; F49-R53 PolarHBondContact O-N 2.74Å
54	Y	93.6	Very high	89.4	Confident	79 Å²	79	83 Å²	83	31%	0.31	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.7	172.5	73.1	-77	0	0	0	110.8	P34 P39 V47 N67	P34-Y54 HydrophobicContact CB-CD1 3.63Å; P34-Y54 HydrophobicContact CB-CE1 4.45Å; P34-Y54 HydrophobicContact CB-CG 4.2Å; P34-Y54 HydrophobicContact CG-CD1 4.27Å; P39-Y54 HydrophobicContact CB-CD2 4.24Å; P39-Y54 HydrophobicContact CB-CE1 4.34Å; P39-Y54 HydrophobicContact CB-CE2 3.44Å; P39-Y54 VanDerWaalsContact CB-CE2 3.44Å; P39-Y54 VanDerWaalsContact CB-CZ 3.48Å; P39-Y54 WeakPolarHBondContact CB-OH 3.36Å; P39-Y54 HydrophobicContact CG-CD2 3.65Å; P39-Y54 HydrophobicContact CG-CE1 4.32Å; P39-Y54 HydrophobicContact CG-CE2 3.37Å; P39-Y54 HydrophobicContact CG-CG 4.24Å; V47-Y54 CarbonylContact O-C 3.51Å; V47-Y54 VanDerWaalsContact O-CA 3.28Å; V47-Y54 WeakPolarHBondContact O-CA 3.47Å; Y54-N67 PolarHBondContact OH-ND2 3.31Å; Y54-N67 PolarHBondContact OH-OD1 3.25Å
55	Q	93.8	Very high	89.4	Confident	136 Å²	136	83.8 Å²	83.8	64%	0.636	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	141	167.6	-174	172.8	11	0	0	108.8	V47	V47-Q55 PolarHBondContact N-O 2.79Å; V47-Q55 PolarHBondContact O-N 2.89Å
56	C	94.7	Very high	89.1	Confident	11 Å²	11	83.9 Å²	83.9	7%	0.074	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.9	170.5	-61.1	0	0	0	0	110.4	C40 I45 C58 P66 C68	C40-C56 WeakPolarHBondContact CA-SG 3.36Å; C40-C56 HydrophobicContact CB-CB 3.75Å; C40-C56 WeakPolarHBondContact CB-SG 3.14Å; C40-C56 WeakPolarHBondContact SG-CA 3.47Å; C40-C56 WeakPolarHBondContact SG-CB 3.28Å; C40-C56 CovalentContact SG-SG 2.02Å; C40-C56 PolarHBondContact SG-SG 2.99Å; I45-C56 WeakPolarHBondContact O-CA 3.35Å; C56-C58 PolarHBondContact O-N 3.32Å; C56-P66 VanDerWaalsContact CB-O 3.28Å; C56-P66 WeakPolarHBondContact CB-O 3.44Å; C56-P66 PolarHBondContact SG-O 3.13Å; C56-C68 VanDerWaalsContact CB-SG 3.6Å
57	D	94.3	Very high	89.1	Confident	71 Å²	71	84.3 Å²	84.3	38%	0.38	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.4	164.6	-177.4	1.3	0	0	0	109	G44 I45 T59	G44-D57 VanDerWaalsContact CA-O 3.28Å; G44-D57 WeakPolarHBondContact CA-O 3.47Å; I45-D57 HydrophobicContact CB-CB 4.29Å; I45-D57 PolarHBondContact N-O 2.86Å; I45-D57 PolarHBondContact O-N 2.76Å; D57-T59 WeakPolarHBondContact OD1-CB 3.49Å; D57-T59 PolarHBondContact OD1-N 2.89Å; D57-T59 PolarHBondContact OD1-OG1 3.42Å
58	C	92.5	Very high	89	Confident	23 Å²	23	80.7 Å²	80.7	16%	0.155	42%	0.419	C	S	.	.			trans	-94.6	12.1	179.6	-49.7	0	0	0	0	113.1	C56 R60 T61 Y63 C68	C56-C58 PolarHBondContact O-N 3.32Å; C58-R60 PolarHBondContact O-N 3.42Å; C58-T61 WeakPolarHBondContact O-CB 3.31Å; C58-T61 WeakPolarHBondContact O-CG2 3.46Å; C58-T61 PolarHBondContact O-N 3.44Å; C58-T61 VanDerWaalsContact O-N 3.08Å; C58-T61 PolarHBondContact O-OG1 3.05Å; C58-Y63 WeakPolarHBondContact CB-O 3.35Å; C58-C68 WeakPolarHBondContact CA-SG 3.47Å; C58-C68 HydrophobicContact CB-CB 3.84Å; C58-C68 WeakPolarHBondContact CB-SG 3.39Å; C58-C68 WeakPolarHBondContact SG-CA 3.3Å; C58-C68 WeakPolarHBondContact SG-CB 3.37Å; C58-C68 CovalentContact SG-SG 2.03Å; C58-C68 PolarHBondContact SG-SG 3.27Å
59	T	91.8	Very high	88.8	Confident	95 Å²	95	78.8 Å²	78.8	58%	0.583	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	123.8	-174.4	-63.4	0	0	0	0	111.9	D57 T61	D57-T59 WeakPolarHBondContact OD1-CB 3.49Å; D57-T59 PolarHBondContact OD1-N 2.89Å; D57-T59 PolarHBondContact OD1-OG1 3.42Å; T59-T61 PolarHBondContact O-N 3.23Å; T59-T61 VanDerWaalsContact O-N 3.15Å
60	R	87.2	Confident	88.8	Confident	246 Å²	246	77 Å²	77	93%	0.928	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	18.6	-179.5	-63	-176.7	-72.2	-172.5	-4.2	115.4	C58 G62	C58-R60 PolarHBondContact O-N 3.42Å; R60-G62 VanDerWaalsContact C-N 3.33Å
61	T	86.9	Confident	88.7	Confident	30 Å²	30	76.8 Å²	76.8	18%	0.184	41%	0.405	C	S	.	.	S	Bend	trans	-77.7	-19.7	171.7	63	0	0	0	0	112.9	H42 C58 T59 Y63	H42-T61 WeakPolarHBondContact O-CG2 3.38Å; C58-T61 WeakPolarHBondContact O-CB 3.31Å; C58-T61 WeakPolarHBondContact O-CG2 3.46Å; C58-T61 PolarHBondContact O-N 3.44Å; C58-T61 VanDerWaalsContact O-N 3.08Å; C58-T61 PolarHBondContact O-OG1 3.05Å; T59-T61 PolarHBondContact O-N 3.23Å; T59-T61 VanDerWaalsContact O-N 3.15Å; T61-Y63 VanDerWaalsContact C-N 3.26Å; T61-Y63 WeakPolarHBondContact O-CD2 3.16Å; T61-Y63 PolarHBondContact OG1-N 3.26Å; T61-Y63 VanDerWaalsContact OG1-N 3.16Å; T61-Y63 PolarHBondContact OG1-O 3.08Å
62	G	84.4	Confident	88.5	Confident	35 Å²	35	71.7 Å²	71.7	36%	0.361	39%	0.386	S	S	.	.	S	Bend	trans	79.9	5.7	-169.6	0	0	0	0	0	114	R60 G72 T75	R60-G62 VanDerWaalsContact C-N 3.33Å; G62-G72 PolarHBondContact O-N 2.79Å; G62-G72 VanDerWaalsContact O-N 3.11Å; G62-T75 WeakPolarHBondContact O-CB 3.26Å; G62-T75 PolarHBondContact O-OG1 3.24Å
63	Y	88.1	Confident	88	Confident	42 Å²	42	73.8 Å²	73.8	17%	0.165	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	162	175.7	-65	-98	0	0	0	111.3	H42 C58 T61 C68 I70 P71 T75 N79	H42-Y63 HydrophobicContact CB-CD2 3.51Å; H42-Y63 HydrophobicContact CB-CE2 3.59Å; H42-Y63 HydrophobicContact CB-CG 4.2Å; H42-Y63 AromaticContact CD2-CE2 3.62Å; H42-Y63 AromaticContact CD2-CZ 3.53Å; H42-Y63 AromaticContact CE1-CD1 3.96Å; H42-Y63 AromaticContact CE1-CE1 3.56Å; H42-Y63 AromaticContact CE1-CZ 3.71Å; H42-Y63 AromaticContact CG-CD2 3.62Å; H42-Y63 AromaticContact CG-CE2 3.39Å; H42-Y63 AromaticContact CG-CZ 3.61Å; H42-Y63 AromaticContact ND1-CD1 3.69Å; H42-Y63 AromaticContact ND1-CD2 3.84Å; H42-Y63 AromaticContact ND1-CE1 3.67Å; H42-Y63 AromaticContact ND1-CE2 3.83Å; H42-Y63 AromaticContact ND1-CG 3.78Å; H42-Y63 AromaticContact ND1-CZ 3.73Å; H42-Y63 AromaticContact NE2-CE1 3.88Å; H42-Y63 AromaticContact NE2-CZ 3.6Å; H42-Y63 PolarHBondContact NE2-OH 3.25Å; C58-Y63 WeakPolarHBondContact CB-O 3.35Å; T61-Y63 VanDerWaalsContact C-N 3.26Å; T61-Y63 WeakPolarHBondContact O-CD2 3.16Å; T61-Y63 PolarHBondContact OG1-N 3.26Å; T61-Y63 VanDerWaalsContact OG1-N 3.16Å; T61-Y63 PolarHBondContact OG1-O 3.08Å; Y63-C68 WeakPolarHBondContact CB-O 3.34Å; Y63-I70 CarbonylContact C-O 3.54Å; Y63-I70 VanDerWaalsContact CA-O 3.31Å; Y63-I70 WeakPolarHBondContact CA-O 3.43Å; Y63-P71 HydrophobicContact CD1-CB 3.97Å; Y63-P71 HydrophobicContact CE1-CB 3.81Å; Y63-T75 HydrophobicContact CD2-CG2 4.38Å; Y63-T75 HydrophobicContact CE1-CG2 4.26Å; Y63-T75 HydrophobicContact CE2-CG2 3.84Å; Y63-N79 PolarHBondContact OH-ND2 2.98Å
64	S	88.7	Confident	86.6	Confident	60 Å²	60	76.5 Å²	76.5	42%	0.42	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	-174.2	175.8	64.5	0	0	0	0	110.7	C68 T69 I70	S64-C68 CarbonylContact O-C 3.47Å; S64-C68 WeakPolarHBondContact O-CA 3.47Å; S64-T69 PolarHBondContact O-N 3.41Å; S64-T69 VanDerWaalsContact O-N 3.16Å; S64-I70 PolarHBondContact N-O 2.84Å; S64-I70 WeakPolarHBondContact O-CB 3.39Å; S64-I70 PolarHBondContact O-N 3.08Å; S64-I70 PolarHBondContact OG-O 3.36Å
65	G	90.4	Very high	85	Confident	31 Å²	31	74.1 Å²	74.1	32%	0.32	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	172.9	-174.7	0	0	0	0	0	113.2	N67 C68	G65-N67 PolarHBondContact O-N 3.49Å; G65-N67 VanDerWaalsContact O-N 3.14Å; G65-C68 PolarHBondContact O-N 2.91Å
66	P	89.8	Confident	83.4	Confident	104 Å²	104	75 Å²	75	68%	0.675	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.8	-171	22.8	-33.5	0	0	0	113.7	C56	C56-P66 VanDerWaalsContact CB-O 3.28Å; C56-P66 WeakPolarHBondContact CB-O 3.44Å; C56-P66 PolarHBondContact SG-O 3.13Å
67	N	92.3	Very high	81.6	Confident	48 Å²	48	79.2 Å²	79.2	26%	0.257	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	14.5	-175.3	-69.3	3	0	0	0	113.3	P39 Q41 Y54 G65 T69	P39-N67 WeakPolarHBondContact O-CB 3.39Å; Q41-N67 PolarHBondContact N-O 2.9Å; Y54-N67 PolarHBondContact OH-ND2 3.31Å; Y54-N67 PolarHBondContact OH-OD1 3.25Å; G65-N67 PolarHBondContact O-N 3.49Å; G65-N67 VanDerWaalsContact O-N 3.14Å; N67-T69 HydrophobicContact CB-CG2 4.13Å; N67-T69 PolarHBondContact O-N 3.03Å
68	C	91.9	Very high	79.8	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	44.4	-175.4	-43.4	0	0	0	0	113.5	Q41 H42 C56 C58 Y63 S64 G65	Q41-C68 WeakPolarHBondContact O-CB 3.42Å; H42-C68 PolarHBondContact ND1-O 3.3Å; C56-C68 VanDerWaalsContact CB-SG 3.6Å; C58-C68 WeakPolarHBondContact CA-SG 3.47Å; C58-C68 HydrophobicContact CB-CB 3.84Å; C58-C68 WeakPolarHBondContact CB-SG 3.39Å; C58-C68 WeakPolarHBondContact SG-CA 3.3Å; C58-C68 WeakPolarHBondContact SG-CB 3.37Å; C58-C68 CovalentContact SG-SG 2.03Å; C58-C68 PolarHBondContact SG-SG 3.27Å; Y63-C68 WeakPolarHBondContact CB-O 3.34Å; S64-C68 CarbonylContact O-C 3.47Å; S64-C68 WeakPolarHBondContact O-CA 3.47Å; G65-C68 PolarHBondContact O-N 2.91Å
69	T	87.9	Confident	77.9	Confident	71 Å²	71	88.7 Å²	88.7	44%	0.436	45%	0.452	S	S	.	.			trans	-111.4	-12.9	-176.7	51.4	0	0	0	0	114	Q41 S64 N67 P71	Q41-T69 HydrophobicContact CB-CG2 4.04Å; Q41-T69 HydrophobicContact CG-CG2 3.82Å; S64-T69 PolarHBondContact O-N 3.41Å; S64-T69 VanDerWaalsContact O-N 3.16Å; N67-T69 HydrophobicContact CB-CG2 4.13Å; N67-T69 PolarHBondContact O-N 3.03Å; T69-P71 VanDerWaalsContact O-CD 3.28Å; T69-P71 WeakPolarHBondContact O-CD 3.26Å
70	I	85.8	Confident	76.1	Confident	91 Å²	91	87.2 Å²	87.2	47%	0.467	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	106.4	-178.6	-54.4	175.2	0	0	0	108.6	Y63 S64	Y63-I70 CarbonylContact C-O 3.54Å; Y63-I70 VanDerWaalsContact CA-O 3.31Å; Y63-I70 WeakPolarHBondContact CA-O 3.43Å; S64-I70 PolarHBondContact N-O 2.84Å; S64-I70 WeakPolarHBondContact O-CB 3.39Å; S64-I70 PolarHBondContact O-N 3.08Å; S64-I70 PolarHBondContact OG-O 3.36Å
71	P	80.7	Confident	74.3	Confident	47 Å²	47	83.5 Å²	83.5	31%	0.305	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.8	-177.2	28.9	-34.3	0	0	0	111.3	Y63 T69 T75 W76	Y63-P71 HydrophobicContact CD1-CB 3.97Å; Y63-P71 HydrophobicContact CE1-CB 3.81Å; T69-P71 VanDerWaalsContact O-CD 3.28Å; T69-P71 WeakPolarHBondContact O-CD 3.26Å; P71-T75 HydrophobicContact CB-CG2 3.99Å; P71-W76 HydrophobicContact CB-CB 4.3Å; P71-W76 HydrophobicContact CG-CB 4.22Å
72	G	75.1	Confident	72	Confident	31 Å²	31	91.1 Å²	91.1	32%	0.32	47%	0.468	S	S	.	.			trans	-68.3	166.5	166.4	0	0	0	0	0	112.2	G62 W74 T75 W76	G62-G72 PolarHBondContact O-N 2.79Å; G62-G72 VanDerWaalsContact O-N 3.11Å; G72-W74 VanDerWaalsContact C-N 3.32Å; G72-W74 PolarHBondContact O-N 3.44Å; G72-T75 WeakPolarHBondContact O-CB 3.16Å; G72-T75 PolarHBondContact O-N 3.24Å; G72-W76 WeakPolarHBondContact O-CB 3.45Å; G72-W76 PolarHBondContact O-N 3.39Å
73	L	71.8	Confident	69.9	Low	149 Å²	149	94.9 Å²	94.9	78%	0.78	49%	0.486	S	S	*	.	H	α-helix	trans	-54.3	-43.3	-175.2	-155	94.1	0	0	0	113.2	L77	L73-L77 PolarHBondContact O-N 2.93Å
74	W	57.1	Low	67.8	Low	206 Å²	206	96.9 Å²	96.9	78%	0.78	51%	0.507	S	S	*	.	H	α-helix	trans	-73.7	-33.8	176.5	-69.5	108.6	0	0	0	113.5	G72 L77 R78	G72-W74 VanDerWaalsContact C-N 3.32Å; G72-W74 PolarHBondContact O-N 3.44Å; W74-L77 HydrophobicContact CE3-CD2 4.1Å; W74-L77 HydrophobicContact CZ3-CD2 4.05Å; W74-L77 PolarHBondContact O-N 2.83Å; W74-R78 PolarHBondContact O-N 3.23Å
75	T	59	Low	66	Low	29 Å²	29	98.7 Å²	98.7	18%	0.178	52%	0.517	C	S	.	.	H	α-helix	trans	-67.8	-40.4	174.5	-47.2	0	0	0	0	110.9	G62 Y63 P71 G72 R78 N79	G62-T75 WeakPolarHBondContact O-CB 3.26Å; G62-T75 PolarHBondContact O-OG1 3.24Å; Y63-T75 HydrophobicContact CD2-CG2 4.38Å; Y63-T75 HydrophobicContact CE1-CG2 4.26Å; Y63-T75 HydrophobicContact CE2-CG2 3.84Å; P71-T75 HydrophobicContact CB-CG2 3.99Å; G72-T75 WeakPolarHBondContact O-CB 3.16Å; G72-T75 PolarHBondContact O-N 3.24Å; T75-R78 PolarHBondContact O-N 3.29Å; T75-N79 VanDerWaalsContact O-CB 3.28Å; T75-N79 WeakPolarHBondContact O-CB 3.25Å; T75-N79 PolarHBondContact O-N 3.45Å; T75-N79 PolarHBondContact O-ND2 3.47Å
76	W	61.4	Low	64	Low	155 Å²	155	101.3 Å²	101.3	59%	0.587	53%	0.53	S	S	*	.	H	α-helix	trans	-61.7	-43.9	174.7	-179.3	85.5	0	0	0	111.2	P71 G72 N79 S80	P71-W76 HydrophobicContact CB-CB 4.3Å; P71-W76 HydrophobicContact CG-CB 4.22Å; G72-W76 WeakPolarHBondContact O-CB 3.45Å; G72-W76 PolarHBondContact O-N 3.39Å; W76-N79 PolarHBondContact O-N 3.01Å; W76-S80 VanDerWaalsContact O-CB 3.27Å; W76-S80 WeakPolarHBondContact O-CB 2.98Å; W76-S80 PolarHBondContact O-N 3.4Å; W76-S80 PolarHBondContact O-OG 2.64Å
77	L	55.9	Low	62.3	Low	99 Å²	99	103.6 Å²	103.6	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-42.5	176.3	-165.4	73.7	0	0	0	112.3	L73 W74	L73-L77 PolarHBondContact O-N 2.93Å; W74-L77 HydrophobicContact CE3-CD2 4.1Å; W74-L77 HydrophobicContact CZ3-CD2 4.05Å; W74-L77 PolarHBondContact O-N 2.83Å
78	R	56.2	Low	60.1	Low	219 Å²	219	106 Å²	106	83%	0.826	55%	0.547	S	S	*	.	H	α-helix	trans	-67.9	-34	177.4	-170.2	176.2	-176	167.3	1.3	112.9	W74 T75	W74-R78 PolarHBondContact O-N 3.23Å; T75-R78 PolarHBondContact O-N 3.29Å
79	N	54.4	Low	58.1	Low	74 Å²	74	112.7 Å²	112.7	40%	0.396	58%	0.578	S	S	.	*	H	α-helix	trans	-86.1	-19.7	-178.2	-69.3	-15.6	0	0	0	113.8	Y63 T75 W76 L81 R82	Y63-N79 PolarHBondContact OH-ND2 2.98Å; T75-N79 VanDerWaalsContact O-CB 3.28Å; T75-N79 WeakPolarHBondContact O-CB 3.25Å; T75-N79 PolarHBondContact O-N 3.45Å; T75-N79 PolarHBondContact O-ND2 3.47Å; W76-N79 PolarHBondContact O-N 3.01Å; N79-L81 PolarHBondContact O-N 3.11Å; N79-L81 VanDerWaalsContact O-N 3.13Å; N79-R82 PolarHBondContact O-N 3.45Å
80	S	52.4	Low	56.7	Low	65 Å²	65	114.9 Å²	114.9	46%	0.455	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.2	3.6	-175.1	-66.5	0	0	0	0	115.1	W76	W76-S80 VanDerWaalsContact O-CB 3.27Å; W76-S80 WeakPolarHBondContact O-CB 2.98Å; W76-S80 PolarHBondContact O-N 3.4Å; W76-S80 PolarHBondContact O-OG 2.64Å
81	L	49.6	Very low	55.2	Low	168 Å²	168	114.8 Å²	114.8	88%	0.88	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	28	174.6	-74.4	166.6	0	0	0	113.6	N79	N79-L81 PolarHBondContact O-N 3.11Å; N79-L81 VanDerWaalsContact O-N 3.13Å
82	R	39.7	Very low	53.7	Low	189 Å²	189	118.1 Å²	118.1	71%	0.713	60%	0.596	S	S	*	*	S	Bend	trans	-133.7	129.7	170.6	-120.4	177.3	179.2	-176	-0.7	109.7	N79	N79-R82 PolarHBondContact O-N 3.45Å
83	P	40.5	Very low	52.2	Low	114 Å²	114	120.2 Å²	120.2	74%	0.74	60%	0.603	S	S	*	*			trans	-74.1	150.3	-174.8	27.8	-31.8	0	0	0	113.3	K424	P83-K424 PolarHBondContact O-NZ 3.23Å
84	S	43.9	Very low	51.1	Low	84 Å²	84	118.4 Å²	118.4	59%	0.587	59%	0.59	S	S	*	*			trans	-111.3	144.8	-161.2	158.4	0	0	0	0	114	S86	S84-S86 PolarHBondContact O-N 2.84Å; S84-S86 PolarHBondContact OG-OG 3.02Å
85	P	50.3	Low	51.3	Low	98 Å²	98	110.2 Å²	110.2	64%	0.636	57%	0.569	S	S	*	*			trans	-87.5	74.7	170.5	31.3	-20.6	0	0	0	111.4	F87	P85-F87 PolarHBondContact O-N 3.12Å
86	S	48.5	Very low	51.4	Low	86 Å²	86	118.3 Å²	118.3	60%	0.601	60%	0.597	S	S	*	*			trans	-86.9	12.6	-165	-59.3	0	0	0	0	117.6	S84	S84-S86 PolarHBondContact O-N 2.84Å; S84-S86 PolarHBondContact OG-OG 3.02Å
87	F	53.9	Low	52	Low	152 Å²	152	120.5 Å²	120.5	67%	0.667	61%	0.605	S	S	*	*	S	Bend	trans	-95.2	-35.3	-170.2	-168.1	-112.4	0	0	0	114.3	P85 L91	P85-F87 PolarHBondContact O-N 3.12Å; F87-L91 HydrophobicContact CD1-CD1 4.13Å; F87-L91 HydrophobicContact CE1-CD1 3.69Å; F87-L91 HydrophobicContact CZ-CD1 4.05Å
88	T	45.6	Very low	52.9	Low	99 Å²	99	120.2 Å²	120.2	61%	0.607	60%	0.6	S	S	*	*	H	α-helix	trans	-78	-33.4	-174.5	22.8	0	0	0	0	114	F90	T88-F90 VanDerWaalsContact C-N 3.34Å
89	H	49.5	Very low	53.6	Low	140 Å²	140	112.6 Å²	112.6	65%	0.648	57%	0.571	S	S	*	*	H	α-helix	trans	-70.1	-31.3	175.9	-170.6	67	0	0	0	112.6	L92 T93	H89-L92 PolarHBondContact O-N 2.81Å; H89-T93 WeakPolarHBondContact O-CB 2.83Å; H89-T93 WeakPolarHBondContact O-CG2 3.32Å; H89-T93 PolarHBondContact O-N 2.87Å; H89-T93 PolarHBondContact O-OG1 3.2Å
90	F	59.1	Low	54.6	Low	118 Å²	118	114.3 Å²	114.3	52%	0.518	58%	0.577	S	S	.	*	H	α-helix	trans	-65.5	-43.6	177.6	-178.8	-100.3	0	0	0	111.9	T88 L92 T93 H94	T88-F90 VanDerWaalsContact C-N 3.34Å; F90-L92 VanDerWaalsContact C-N 3.34Å; F90-L92 PolarHBondContact O-N 2.8Å; F90-T93 PolarHBondContact O-N 2.83Å; F90-H94 AromaticContact CD2-ND1 3.8Å; F90-H94 HydrophobicContact CE2-CB 4.41Å; F90-H94 AromaticContact CE2-CD2 3.84Å; F90-H94 AromaticContact CE2-CG 3.85Å; F90-H94 HydrophobicContact CZ-CB 4.49Å; F90-H94 WeakPolarHBondContact O-CB 3.1Å; F90-H94 PolarHBondContact O-N 3.16Å; F90-H94 PolarHBondContact O-ND1 3.23Å
91	L	54.3	Low	55.8	Low	89 Å²	89	117 Å²	117	47%	0.466	58%	0.58	S	S	.	*	H	α-helix	trans	-61.3	-37.2	177.9	-98.4	148	0	0	0	113.3	F87 W99	F87-L91 HydrophobicContact CD1-CD1 4.13Å; F87-L91 HydrophobicContact CE1-CD1 3.69Å; F87-L91 HydrophobicContact CZ-CD1 4.05Å; L91-W99 VanDerWaalsContact O-CZ2 3.3Å; L91-W99 WeakPolarHBondContact O-CZ2 3.48Å; L91-W99 PolarHBondContact O-NE1 3.23Å; L91-W99 VanDerWaalsContact O-NE1 3.12Å
92	L	49	Very low	56.6	Low	117 Å²	117	109.2 Å²	109.2	61%	0.613	54%	0.54	S	S	*	.	H	α-helix	trans	-84.8	-12.6	-177	-65.1	171.8	0	0	0	114.2	H89 F90 W99	H89-L92 PolarHBondContact O-N 2.81Å; F90-L92 VanDerWaalsContact C-N 3.34Å; F90-L92 PolarHBondContact O-N 2.8Å; L92-W99 HydrophobicContact CD2-CH2 3.62Å; L92-W99 HydrophobicContact CD2-CZ2 3.73Å
93	T	43.1	Very low	58.1	Low	75 Å²	75	104.1 Å²	104.1	46%	0.46	53%	0.527	S	S	.	.	H	α-helix	trans	-117.4	-7.1	-173.8	56.2	0	0	0	0	114.2	H89 F90	H89-T93 WeakPolarHBondContact O-CB 2.83Å; H89-T93 WeakPolarHBondContact O-CG2 3.32Å; H89-T93 PolarHBondContact O-N 2.87Å; H89-T93 PolarHBondContact O-OG1 3.2Å; F90-T93 PolarHBondContact O-N 2.83Å
94	H	50.7	Low	59.7	Low	110 Å²	110	102.9 Å²	102.9	51%	0.509	53%	0.526	S	S	.	.	S	Bend	trans	-123.2	153.1	-179.9	-67.2	67	0	0	0	111	F90 W99	F90-H94 AromaticContact CD2-ND1 3.8Å; F90-H94 HydrophobicContact CE2-CB 4.41Å; F90-H94 AromaticContact CE2-CD2 3.84Å; F90-H94 AromaticContact CE2-CG 3.85Å; F90-H94 HydrophobicContact CZ-CB 4.49Å; F90-H94 WeakPolarHBondContact O-CB 3.1Å; F90-H94 PolarHBondContact O-N 3.16Å; F90-H94 PolarHBondContact O-ND1 3.23Å; H94-W99 PolarHBondContact O-NE1 2.86Å
95	G	59.9	Low	61.4	Low	34 Å²	34	100.8 Å²	100.8	35%	0.351	51%	0.51	S	S	.	.			trans	87.3	53.8	179.3	0	0	0	0	0	114.7	W97 F98 W99	G95-W97 PolarHBondContact O-N 2.99Å; G95-W97 VanDerWaalsContact O-N 3.12Å; G95-F98 WeakPolarHBondContact O-CB 3.37Å; G95-F98 PolarHBondContact O-N 3.18Å; G95-W99 PolarHBondContact O-N 2.76Å
96	R	61.3	Low	62.4	Low	200 Å²	200	103.5 Å²	103.5	76%	0.755	51%	0.512	S	S	*	.	H	α-helix	trans	-48.5	-41.1	-177.5	-169.2	177.2	-179	163	7.2	114.3	F98 W99 E100	R96-F98 PolarHBondContact O-N 3.41Å; R96-W99 PolarHBondContact O-N 2.89Å; R96-E100 IonicContact NE-OE1 3.27Å; R96-E100 PolarHBondContact NE-OE1 3.12Å; R96-E100 WeakPolarHBondContact O-CG 3.44Å; R96-E100 PolarHBondContact O-N 3.32Å
97	W	74.9	Confident	63.2	Low	200 Å²	200	101.6 Å²	101.6	76%	0.758	49%	0.494	S	S	*	.	H	α-helix	trans	-64.4	-36.4	178.6	75.2	-79.9	0	0	0	113.4	G95 F101	G95-W97 PolarHBondContact O-N 2.99Å; G95-W97 VanDerWaalsContact O-N 3.12Å; W97-F101 PolarHBondContact O-N 3.35Å; W97-F101 VanDerWaalsContact O-N 3.11Å
98	F	73.3	Confident	63.5	Low	93 Å²	93	100.8 Å²	100.8	41%	0.408	49%	0.487	S	S	.	.	H	α-helix	trans	-68.5	-41.8	175.5	171.3	-97.6	0	0	0	110.6	G95 R96 F101 V102	G95-F98 WeakPolarHBondContact O-CB 3.37Å; G95-F98 PolarHBondContact O-N 3.18Å; R96-F98 PolarHBondContact O-N 3.41Å; F98-F101 WeakPolarHBondContact O-CB 3.31Å; F98-F101 PolarHBondContact O-N 3.07Å; F98-V102 HydrophobicContact CD1-CG2 4.24Å; F98-V102 HydrophobicContact CE1-CG2 3.87Å; F98-V102 HydrophobicContact CE2-CG2 4.2Å; F98-V102 HydrophobicContact CZ-CG2 3.85Å; F98-V102 WeakPolarHBondContact O-CB 3.48Å; F98-V102 VanDerWaalsContact O-CG2 3.29Å; F98-V102 WeakPolarHBondContact O-CG2 3.26Å; F98-V102 PolarHBondContact O-N 3.38Å
99	W	71.4	Confident	63.7	Low	59 Å²	59	103.2 Å²	103.2	22%	0.223	49%	0.491	C	S	.	.	H	α-helix	trans	-70.9	-32.1	176.5	-69.5	109.3	0	0	0	113.3	L91 L92 H94 G95 R96 V102 N103 L111	L91-W99 VanDerWaalsContact O-CZ2 3.3Å; L91-W99 WeakPolarHBondContact O-CZ2 3.48Å; L91-W99 PolarHBondContact O-NE1 3.23Å; L91-W99 VanDerWaalsContact O-NE1 3.12Å; L92-W99 HydrophobicContact CD2-CH2 3.62Å; L92-W99 HydrophobicContact CD2-CZ2 3.73Å; H94-W99 PolarHBondContact O-NE1 2.86Å; G95-W99 PolarHBondContact O-N 2.76Å; R96-W99 PolarHBondContact O-N 2.89Å; W99-V102 HydrophobicContact CE3-CB 4.24Å; W99-V102 HydrophobicContact CE3-CG1 4.11Å; W99-V102 HydrophobicContact CZ3-CG1 4.13Å; W99-V102 PolarHBondContact O-N 2.84Å; W99-N103 WeakPolarHBondContact O-CB 3.21Å; W99-N103 PolarHBondContact O-N 3.2Å; W99-N103 PolarHBondContact O-ND2 3.33Å; W99-L111 HydrophobicContact CZ3-CD1 4.25Å
100	E	75.9	Confident	63.7	Low	111 Å²	111	101 Å²	101	52%	0.519	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-40.6	170.8	-77	171.9	-174.1	0	0	111.6	R96 A104	R96-E100 IonicContact NE-OE1 3.27Å; R96-E100 PolarHBondContact NE-OE1 3.12Å; R96-E100 WeakPolarHBondContact O-CG 3.44Å; R96-E100 PolarHBondContact O-N 3.32Å; E100-A104 WeakPolarHBondContact O-CB 3.28Å; E100-A104 PolarHBondContact O-N 2.7Å
101	F	77.9	Confident	63.3	Low	121 Å²	121	98.6 Å²	98.6	53%	0.531	47%	0.474	S	S	.	.	H	α-helix	trans	-65.4	-47.5	172.2	173	-96.4	0	0	0	112.6	W97 F98 N103 A104 T105 I107	W97-F101 PolarHBondContact O-N 3.35Å; W97-F101 VanDerWaalsContact O-N 3.11Å; F98-F101 WeakPolarHBondContact O-CB 3.31Å; F98-F101 PolarHBondContact O-N 3.07Å; F101-N103 VanDerWaalsContact C-N 3.29Å; F101-N103 PolarHBondContact O-N 2.7Å; F101-A104 PolarHBondContact O-N 3.36Å; F101-T105 HydrophobicContact CD2-CG2 4.48Å; F101-T105 HydrophobicContact CE1-CG2 4.45Å; F101-T105 HydrophobicContact CE2-CG2 4.15Å; F101-T105 HydrophobicContact CZ-CG2 4.14Å; F101-T105 WeakPolarHBondContact O-CG2 3.5Å; F101-T105 PolarHBondContact O-N 3.34Å; F101-T105 PolarHBondContact O-OG1 3.2Å; F101-I107 HydrophobicContact CE1-CD1 4.35Å
102	V	66.1	Low	62.9	Low	4 Å²	4	98.8 Å²	98.8	2%	0.024	47%	0.474	C	S	.	.	H	α-helix	trans	-59.2	-42.5	176.4	168.4	0	0	0	0	110.5	F98 W99 A104 T105 I107 R108 L111	F98-V102 HydrophobicContact CD1-CG2 4.24Å; F98-V102 HydrophobicContact CE1-CG2 3.87Å; F98-V102 HydrophobicContact CE2-CG2 4.2Å; F98-V102 HydrophobicContact CZ-CG2 3.85Å; F98-V102 WeakPolarHBondContact O-CB 3.48Å; F98-V102 VanDerWaalsContact O-CG2 3.29Å; F98-V102 WeakPolarHBondContact O-CG2 3.26Å; F98-V102 PolarHBondContact O-N 3.38Å; W99-V102 HydrophobicContact CE3-CB 4.24Å; W99-V102 HydrophobicContact CE3-CG1 4.11Å; W99-V102 HydrophobicContact CZ3-CG1 4.13Å; W99-V102 PolarHBondContact O-N 2.84Å; V102-A104 VanDerWaalsContact C-N 3.27Å; V102-A104 PolarHBondContact O-N 2.85Å; V102-T105 PolarHBondContact O-N 2.74Å; V102-T105 PolarHBondContact O-OG1 2.78Å; V102-T105 VanDerWaalsContact O-OG1 3.09Å; V102-I107 HydrophobicContact CG1-CB 4.39Å; V102-I107 HydrophobicContact CG1-CG2 3.98Å; V102-I107 HydrophobicContact CG2-CG2 4.42Å; V102-R108 WeakPolarHBondContact O-CB 3Å; V102-R108 PolarHBondContact O-N 3.07Å; V102-L111 HydrophobicContact CG1-CD1 3.56Å
103	N	70.6	Confident	62.6	Low	83 Å²	83	102.4 Å²	102.4	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-67.7	-22.9	-179.9	-77.5	-31.6	0	0	0	114.5	W99 F101 R108	W99-N103 WeakPolarHBondContact O-CB 3.21Å; W99-N103 PolarHBondContact O-N 3.2Å; W99-N103 PolarHBondContact O-ND2 3.33Å; F101-N103 VanDerWaalsContact C-N 3.29Å; F101-N103 PolarHBondContact O-N 2.7Å; N103-R108 VanDerWaalsContact O-CD 3.25Å; N103-R108 WeakPolarHBondContact O-CD 3.32Å
104	A	74.2	Confident	62.6	Low	87 Å²	87	104.5 Å²	104.5	72%	0.719	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	0.7	179.4	0	0	0	0	0	113.8	E100 F101 V102	E100-A104 WeakPolarHBondContact O-CB 3.28Å; E100-A104 PolarHBondContact O-N 2.7Å; F101-A104 PolarHBondContact O-N 3.36Å; V102-A104 VanDerWaalsContact C-N 3.27Å; V102-A104 PolarHBondContact O-N 2.85Å
105	T	80	Confident	62	Low	41 Å²	41	104.7 Å²	104.7	25%	0.252	50%	0.496	S	S	.	.	S	Bend	trans	-122.1	169.5	-176.4	57.5	0	0	0	0	112.1	F101 V102 I107 R108	F101-T105 HydrophobicContact CD2-CG2 4.48Å; F101-T105 HydrophobicContact CE1-CG2 4.45Å; F101-T105 HydrophobicContact CE2-CG2 4.15Å; F101-T105 HydrophobicContact CZ-CG2 4.14Å; F101-T105 WeakPolarHBondContact O-CG2 3.5Å; F101-T105 PolarHBondContact O-N 3.34Å; F101-T105 PolarHBondContact O-OG1 3.2Å; V102-T105 PolarHBondContact O-N 2.74Å; V102-T105 PolarHBondContact O-OG1 2.78Å; V102-T105 VanDerWaalsContact O-OG1 3.09Å; T105-I107 PolarHBondContact O-N 2.66Å; T105-I107 WeakPolarHBondContact OG1-CB 3.3Å; T105-R108 WeakPolarHBondContact O-CB 3.47Å; T105-R108 PolarHBondContact O-N 3.31Å; T105-R108 VanDerWaalsContact O-N 3.09Å
106	F	71.9	Confident	61	Low	155 Å²	155	108.1 Å²	108.1	68%	0.68	51%	0.506	S	S	*	.	H	α-helix	trans	-59.3	-16	173.1	76.5	-88.2	0	0	0	113	R108 E109 M110	F106-R108 PolarHBondContact O-N 2.95Å; F106-E109 PolarHBondContact O-N 2.99Å; F106-E109 VanDerWaalsContact O-N 3.16Å; F106-M110 WeakPolarHBondContact O-CB 3.42Å; F106-M110 PolarHBondContact O-N 3.11Å
107	I	63.9	Low	60	Low	45 Å²	45	102.7 Å²	102.7	23%	0.231	50%	0.495	C	S	.	.	H	α-helix	trans	-62.5	-32.8	175.8	-55.4	175.6	0	0	0	110.2	F101 V102 T105 M110 L111	F101-I107 HydrophobicContact CE1-CD1 4.35Å; V102-I107 HydrophobicContact CG1-CB 4.39Å; V102-I107 HydrophobicContact CG1-CG2 3.98Å; V102-I107 HydrophobicContact CG2-CG2 4.42Å; T105-I107 PolarHBondContact O-N 2.66Å; T105-I107 WeakPolarHBondContact OG1-CB 3.3Å; I107-M110 HydrophobicContact CG2-CE 4.2Å; I107-M110 PolarHBondContact O-N 3.23Å; I107-L111 HydrophobicContact CG2-CD1 3.91Å; I107-L111 HydrophobicContact CG2-CG 4.17Å; I107-L111 VanDerWaalsContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CB 3.3Å; I107-L111 VanDerWaalsContact O-CG 3.23Å; I107-L111 WeakPolarHBondContact O-CG 3.46Å; I107-L111 PolarHBondContact O-N 2.86Å
108	R	61.5	Low	58.8	Low	135 Å²	135	95.5 Å²	95.5	51%	0.509	48%	0.483	S	S	.	.	H	α-helix	trans	-60.9	-48.2	171.3	-178.7	-178.6	172.4	-170.8	-1.6	112	V102 N103 T105 F106 M110 L111 M112	V102-R108 WeakPolarHBondContact O-CB 3Å; V102-R108 PolarHBondContact O-N 3.07Å; N103-R108 VanDerWaalsContact O-CD 3.25Å; N103-R108 WeakPolarHBondContact O-CD 3.32Å; T105-R108 WeakPolarHBondContact O-CB 3.47Å; T105-R108 PolarHBondContact O-N 3.31Å; T105-R108 VanDerWaalsContact O-N 3.09Å; F106-R108 PolarHBondContact O-N 2.95Å; R108-M110 VanDerWaalsContact C-N 3.32Å; R108-L111 PolarHBondContact O-N 2.74Å; R108-M112 HydrophobicContact CG-CG 4.34Å; R108-M112 WeakPolarHBondContact O-CB 3.48Å; R108-M112 WeakPolarHBondContact O-CG 3.46Å; R108-M112 PolarHBondContact O-N 3.35Å
109	E	48.8	Very low	58.2	Low	151 Å²	151	96.5 Å²	96.5	71%	0.706	49%	0.487	S	S	*	.	H	α-helix	trans	-68.2	-33.9	177.8	-71.5	-165.1	171.2	0	0	111.9	F106 R113	F106-E109 PolarHBondContact O-N 2.99Å; F106-E109 VanDerWaalsContact O-N 3.16Å; E109-R113 VanDerWaalsContact O-CB 3.31Å; E109-R113 WeakPolarHBondContact O-CB 3.16Å; E109-R113 PolarHBondContact O-N 3.07Å
110	M	50.7	Low	58	Low	94 Å²	94	104.1 Å²	104.1	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-46.3	174.2	-169.8	-174.6	75	0	0	111.7	F106 I107 R108 R113 L114	F106-M110 WeakPolarHBondContact O-CB 3.42Å; F106-M110 PolarHBondContact O-N 3.11Å; I107-M110 HydrophobicContact CG2-CE 4.2Å; I107-M110 PolarHBondContact O-N 3.23Å; R108-M110 VanDerWaalsContact C-N 3.32Å; M110-R113 WeakPolarHBondContact O-CB 3.18Å; M110-R113 PolarHBondContact O-N 3.46Å; M110-L114 WeakPolarHBondContact O-CB 3.4Å; M110-L114 PolarHBondContact O-N 2.76Å
111	L	49.4	Very low	58.3	Low	66 Å²	66	106.9 Å²	106.9	35%	0.346	54%	0.535	S	S	.	.	H	α-helix	trans	-68.1	-40.3	175.4	-71.8	171.6	0	0	0	111.5	W99 V102 I107 R108 R113 L114 V115	W99-L111 HydrophobicContact CZ3-CD1 4.25Å; V102-L111 HydrophobicContact CG1-CD1 3.56Å; I107-L111 HydrophobicContact CG2-CD1 3.91Å; I107-L111 HydrophobicContact CG2-CG 4.17Å; I107-L111 VanDerWaalsContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CB 3.3Å; I107-L111 VanDerWaalsContact O-CG 3.23Å; I107-L111 WeakPolarHBondContact O-CG 3.46Å; I107-L111 PolarHBondContact O-N 2.86Å; R108-L111 PolarHBondContact O-N 2.74Å; L111-R113 VanDerWaalsContact C-N 3.35Å; L111-L114 CarbonylContact O-C 3.58Å; L111-L114 WeakPolarHBondContact O-CB 3.37Å; L111-L114 PolarHBondContact O-N 2.71Å; L111-V115 WeakPolarHBondContact O-CB 3.11Å; L111-V115 WeakPolarHBondContact O-CG2 3.39Å; L111-V115 PolarHBondContact O-N 3.33Å
112	M	46.8	Very low	58.9	Low	93 Å²	93	105 Å²	105	46%	0.458	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-35.9	173.2	-72.4	-64	-66.6	0	0	111.4	R108 V115 L116	R108-M112 HydrophobicContact CG-CG 4.34Å; R108-M112 WeakPolarHBondContact O-CB 3.48Å; R108-M112 WeakPolarHBondContact O-CG 3.46Å; R108-M112 PolarHBondContact O-N 3.35Å; M112-V115 CarbonylContact O-C 3.59Å; M112-V115 PolarHBondContact O-N 3.31Å; M112-L116 HydrophobicContact CB-CD1 4.33Å; M112-L116 HydrophobicContact CE-CD1 4.2Å; M112-L116 WeakPolarHBondContact O-CB 3.24Å; M112-L116 VanDerWaalsContact O-CD1 3.29Å; M112-L116 WeakPolarHBondContact O-CD1 3.48Å; M112-L116 WeakPolarHBondContact O-CG 3.37Å; M112-L116 PolarHBondContact O-N 3.4Å
113	R	42.1	Very low	60.1	Low	193 Å²	193	105.5 Å²	105.5	73%	0.728	53%	0.533	S	S	*	.	H	α-helix	trans	-61.3	-46.9	169.4	-111.1	-178.4	179.3	-173.6	1.2	110.5	E109 M110 L111 V115 L116 T117	E109-R113 VanDerWaalsContact O-CB 3.31Å; E109-R113 WeakPolarHBondContact O-CB 3.16Å; E109-R113 PolarHBondContact O-N 3.07Å; M110-R113 WeakPolarHBondContact O-CB 3.18Å; M110-R113 PolarHBondContact O-N 3.46Å; L111-R113 VanDerWaalsContact C-N 3.35Å; R113-V115 PolarHBondContact O-N 2.99Å; R113-L116 CarbonylContact O-C 3.55Å; R113-L116 PolarHBondContact O-N 2.84Å; R113-T117 WeakPolarHBondContact O-CB 3.26Å; R113-T117 WeakPolarHBondContact O-CG2 3.4Å; R113-T117 PolarHBondContact O-N 2.71Å; R113-T117 PolarHBondContact O-OG1 2.74Å
114	L	42.4	Very low	61.3	Low	120 Å²	120	105.7 Å²	105.7	63%	0.628	53%	0.534	S	S	*	.	H	α-helix	trans	-59.8	-33.9	177	-129.5	123.8	0	0	0	112.6	M110 L111	M110-L114 WeakPolarHBondContact O-CB 3.4Å; M110-L114 PolarHBondContact O-N 2.76Å; L111-L114 CarbonylContact O-C 3.58Å; L111-L114 WeakPolarHBondContact O-CB 3.37Å; L111-L114 PolarHBondContact O-N 2.71Å
115	V	39.7	Very low	62.4	Low	114 Å²	114	101.6 Å²	101.6	69%	0.691	50%	0.501	S	S	*	.	H	α-helix	trans	-80.8	-21.8	175.6	171.5	0	0	0	0	112.7	L111 M112 R113	L111-V115 WeakPolarHBondContact O-CB 3.11Å; L111-V115 WeakPolarHBondContact O-CG2 3.39Å; L111-V115 PolarHBondContact O-N 3.33Å; M112-V115 CarbonylContact O-C 3.59Å; M112-V115 PolarHBondContact O-N 3.31Å; R113-V115 PolarHBondContact O-N 2.99Å
116	L	39.1	Very low	63.2	Low	106 Å²	106	102.4 Å²	102.4	56%	0.555	50%	0.501	S	S	*	.	H	α-helix	trans	-105.8	-5.7	-175.6	-67.7	168.1	0	0	0	113.8	M112 R113 G118	M112-L116 HydrophobicContact CB-CD1 4.33Å; M112-L116 HydrophobicContact CE-CD1 4.2Å; M112-L116 WeakPolarHBondContact O-CB 3.24Å; M112-L116 VanDerWaalsContact O-CD1 3.29Å; M112-L116 WeakPolarHBondContact O-CD1 3.48Å; M112-L116 WeakPolarHBondContact O-CG 3.37Å; M112-L116 PolarHBondContact O-N 3.4Å; R113-L116 CarbonylContact O-C 3.55Å; R113-L116 PolarHBondContact O-N 2.84Å; L116-G118 PolarHBondContact O-N 3.17Å
117	T	39.1	Very low	64.4	Low	85 Å²	85	98.4 Å²	98.4	52%	0.521	49%	0.487	S	S	.	.			trans	-95.5	68.9	-177.1	50	0	0	0	0	112.9	R113	R113-T117 WeakPolarHBondContact O-CB 3.26Å; R113-T117 WeakPolarHBondContact O-CG2 3.4Å; R113-T117 PolarHBondContact O-N 2.71Å; R113-T117 PolarHBondContact O-OG1 2.74Å
118	G	50.6	Low	66	Low	49 Å²	49	96.4 Å²	96.4	51%	0.505	48%	0.476	S	S	.	.			trans	-75.1	140.8	144.1	0	0	0	0	0	108.5	L116 K120	L116-G118 PolarHBondContact O-N 3.17Å; G118-K120 PolarHBondContact O-N 2.5Å
119	K	60.4	Low	67.7	Low	115 Å²	115	90 Å²	90	50%	0.5	45%	0.452	S	S	.	.			trans	-59.8	137.5	171.2	-70.5	-170.8	-175.8	177.2	0	109.4	Q121 E444 L445	K119-Q121 PolarHBondContact O-N 2.91Å; K119-Q121 VanDerWaalsContact O-N 3.15Å; K119-E444 WeakPolarHBondContact CE-O 3.25Å; K119-E444 PolarHBondContact NZ-O 3.4Å; K119-L445 WeakPolarHBondContact CD-O 3.27Å; K119-L445 WeakPolarHBondContact CE-O 3.37Å; K119-L445 PolarHBondContact NZ-O 3.31Å
120	K	67.9	Low	70	Confident	219 Å²	219	90.6 Å²	90.6	95%	0.952	45%	0.448	S	S	*	.	S	Bend	trans	-62.3	-21.6	179.7	-71.6	-174.7	178	-178.9	0	113.6	G118	G118-K120 PolarHBondContact O-N 2.5Å
121	Q	81.5	Confident	72.2	Confident	168 Å²	168	91.6 Å²	91.6	79%	0.785	45%	0.447	S	S	*	.	S	Bend	trans	-127.1	134	177.9	-76.7	177.9	-14.9	0	0	109.4	K119	K119-Q121 PolarHBondContact O-N 2.91Å; K119-Q121 VanDerWaalsContact O-N 3.15Å
122	L	90.1	Very high	74.6	Confident	83 Å²	83	88.5 Å²	88.5	44%	0.435	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-66.9	155.8	170.5	-68.2	172.1	0	0	0	110.4	R407 Y446 E453	L122-R407 HydrophobicContact CD1-CG 3.95Å; L122-Y446 HydrophobicContact CD2-CE1 4.32Å; L122-E453 HydrophobicContact CD1-CG 4.39Å
123	P	91.6	Very high	77	Confident	13 Å²	13	84.3 Å²	84.3	8%	0.084	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-58.2	153.6	179	-22.1	33.1	0	0	0	112.1	A125 L128 R407 L445 Y446	P123-A125 PolarHBondContact O-N 2.83Å; P123-L128 HydrophobicContact CB-CD1 3.93Å; P123-L128 HydrophobicContact CB-CD2 3.96Å; P123-L128 HydrophobicContact CB-CG 3.85Å; P123-L128 HydrophobicContact CG-CD1 4.44Å; P123-L128 HydrophobicContact CG-CD2 4.36Å; P123-R407 PolarHBondContact O-NH1 3.13Å; P123-R407 PolarHBondContact O-NH2 3.08Å; P123-L445 HydrophobicContact CB-CB 4.26Å; P123-L445 HydrophobicContact CG-CB 3.93Å; P123-Y446 HydrophobicContact CG-CD1 3.9Å; P123-Y446 HydrophobicContact CG-CD2 4.11Å; P123-Y446 HydrophobicContact CG-CE1 3.85Å; P123-Y446 HydrophobicContact CG-CE2 4.08Å; P123-Y446 HydrophobicContact CG-CG 4.02Å
124	D	96	Very high	79.7	Confident	87 Å²	87	77.5 Å²	77.5	47%	0.465	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-63	133.7	175.8	173.1	-105.2	0	0	0	111.4	Q126 L127 L128	D124-Q126 VanDerWaalsContact C-N 3.34Å; D124-Q126 PolarHBondContact O-N 3.35Å; D124-Q126 WeakPolarHBondContact OD1-CA 3.37Å; D124-Q126 WeakPolarHBondContact OD1-CB 3.24Å; D124-Q126 PolarHBondContact OD1-N 2.9Å; D124-Q126 VanDerWaalsContact OD1-N 3.07Å; D124-L127 HydrophobicContact CB-CB 3.95Å; D124-L127 WeakPolarHBondContact O-CB 3.19Å; D124-L127 PolarHBondContact O-N 3.47Å; D124-L127 PolarHBondContact OD1-N 3.3Å; D124-L128 WeakPolarHBondContact O-CG 3.38Å; D124-L128 PolarHBondContact O-N 3.33Å
125	A	97.3	Very high	82.4	Confident	2 Å²	2	72.8 Å²	72.8	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-37	-175.3	0	0	0	0	0	112.1	P123 L128 A129 V400 I403 R404	P123-A125 PolarHBondContact O-N 2.83Å; A125-L128 PolarHBondContact O-N 2.78Å; A125-A129 WeakPolarHBondContact O-CB 3.32Å; A125-A129 PolarHBondContact O-N 2.99Å; A125-V400 HydrophobicContact CB-CG1 4.03Å; A125-I403 HydrophobicContact CB-CB 4.03Å; A125-I403 HydrophobicContact CB-CG2 3.67Å; A125-R404 HydrophobicContact CB-CG 4.04Å
126	Q	97.2	Very high	85	Confident	58 Å²	58	75.6 Å²	75.6	27%	0.271	36%	0.36	S	S	.	.	H	α-helix	trans	-67.4	-41.5	177.7	-171.9	75.3	51.8	0	0	110.6	D124 R130	D124-Q126 VanDerWaalsContact C-N 3.34Å; D124-Q126 PolarHBondContact O-N 3.35Å; D124-Q126 WeakPolarHBondContact OD1-CA 3.37Å; D124-Q126 WeakPolarHBondContact OD1-CB 3.24Å; D124-Q126 PolarHBondContact OD1-N 2.9Å; D124-Q126 VanDerWaalsContact OD1-N 3.07Å; Q126-R130 WeakPolarHBondContact O-CB 3.49Å; Q126-R130 VanDerWaalsContact O-CG 3.32Å; Q126-R130 WeakPolarHBondContact O-CG 3.27Å; Q126-R130 PolarHBondContact O-N 2.92Å
127	L	96.7	Very high	87.8	Confident	70 Å²	70	78.7 Å²	78.7	37%	0.366	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-49.7	174.6	179.1	63	0	0	0	111.4	D124 A129 R130 R131 L445	D124-L127 HydrophobicContact CB-CB 3.95Å; D124-L127 WeakPolarHBondContact O-CB 3.19Å; D124-L127 PolarHBondContact O-N 3.47Å; D124-L127 PolarHBondContact OD1-N 3.3Å; L127-A129 PolarHBondContact O-N 3.25Å; L127-R130 PolarHBondContact O-N 3.41Å; L127-R131 WeakPolarHBondContact O-CB 3.22Å; L127-R131 PolarHBondContact O-N 3.42Å; L127-L445 HydrophobicContact CD2-CD2 3.96Å
128	L	96.6	Very high	90.7	Very high	3 Å²	3	76.7 Å²	76.7	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-56.5	-51	177.5	-75.3	172.3	0	0	0	111.5	P123 D124 A125 R130 R131 F132 I403 L445 Y446	P123-L128 HydrophobicContact CB-CD1 3.93Å; P123-L128 HydrophobicContact CB-CD2 3.96Å; P123-L128 HydrophobicContact CB-CG 3.85Å; P123-L128 HydrophobicContact CG-CD1 4.44Å; P123-L128 HydrophobicContact CG-CD2 4.36Å; D124-L128 WeakPolarHBondContact O-CG 3.38Å; D124-L128 PolarHBondContact O-N 3.33Å; A125-L128 PolarHBondContact O-N 2.78Å; L128-R130 PolarHBondContact O-N 2.91Å; L128-R131 PolarHBondContact O-N 3.01Å; L128-F132 HydrophobicContact CD2-CD2 3.95Å; L128-F132 HydrophobicContact CD2-CE2 3.92Å; L128-F132 WeakPolarHBondContact O-CD2 3.42Å; L128-F132 PolarHBondContact O-N 3.19Å; L128-I403 HydrophobicContact CB-CD1 4.29Å; L128-I403 HydrophobicContact CD1-CG2 4.48Å; L128-L445 HydrophobicContact CD2-CD1 4.23Å; L128-Y446 HydrophobicContact CD1-CE2 4.47Å; L128-Y446 WeakPolarHBondContact CD1-OH 3.34Å; L128-Y446 HydrophobicContact CD2-CE2 3.81Å
129	A	97.7	Very high	93	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	34%	0.341	C	S	.	.	I	π-helix	trans	-61.9	-47.6	-178.9	0	0	0	0	0	111.6	A125 L127 R131 L133 L134 L396 V400	A125-A129 WeakPolarHBondContact O-CB 3.32Å; A125-A129 PolarHBondContact O-N 2.99Å; L127-A129 PolarHBondContact O-N 3.25Å; A129-R131 VanDerWaalsContact C-N 3.34Å; A129-R131 PolarHBondContact O-N 2.83Å; A129-L133 HydrophobicContact CB-CD1 4.38Å; A129-L133 CarbonylContact O-C 3.33Å; A129-L133 WeakPolarHBondContact O-CA 3.5Å; A129-L133 WeakPolarHBondContact O-CB 3.29Å; A129-L133 PolarHBondContact O-N 2.81Å; A129-L134 PolarHBondContact O-N 2.68Å; A129-L396 HydrophobicContact CB-CD1 4Å; A129-L396 HydrophobicContact CB-CD2 4.41Å; A129-L396 HydrophobicContact CB-CG 4.11Å; A129-V400 HydrophobicContact CB-CG2 3.46Å; A129-V400 VanDerWaalsContact CB-CG2 3.46Å
130	R	97.8	Very high	94.8	Very high	164 Å²	164	74.1 Å²	74.1	62%	0.619	34%	0.336	S	S	*	.	I	π-helix	trans	-64.8	-35.5	179.7	-74.9	-177.1	177.3	-158.1	0.5	113.2	Q126 L127 L128 L134 L396	Q126-R130 WeakPolarHBondContact O-CB 3.49Å; Q126-R130 VanDerWaalsContact O-CG 3.32Å; Q126-R130 WeakPolarHBondContact O-CG 3.27Å; Q126-R130 PolarHBondContact O-N 2.92Å; L127-R130 PolarHBondContact O-N 3.41Å; L128-R130 PolarHBondContact O-N 2.91Å; R130-L134 WeakPolarHBondContact O-CB 3.23Å; R130-L396 HydrophobicContact CG-CD2 3.97Å
131	R	97	Very high	96.2	Very high	115 Å²	115	63.8 Å²	63.8	43%	0.434	29%	0.291	S	S	.	.	I	π-helix	trans	-83.1	-38.4	-174.6	-164.2	130.2	-177.1	165.1	-0.8	112.7	L127 L128 A129 E441	L127-R131 WeakPolarHBondContact O-CB 3.22Å; L127-R131 PolarHBondContact O-N 3.42Å; L128-R131 PolarHBondContact O-N 3.01Å; A129-R131 VanDerWaalsContact C-N 3.34Å; A129-R131 PolarHBondContact O-N 2.83Å; R131-E441 WeakPolarHBondContact CG-OE2 3.36Å; R131-E441 IonicContact CZ-OE1 2.78Å; R131-E441 IonicContact CZ-OE2 2.68Å; R131-E441 VanDerWaalsContact NE-CD 3.34Å; R131-E441 IonicContact NE-OE1 2.85Å; R131-E441 PolarHBondContact NE-OE1 3.44Å; R131-E441 IonicContact NE-OE2 3.35Å; R131-E441 PolarHBondContact NE-OE2 3.29Å; R131-E441 VanDerWaalsContact NH2-CD 3.27Å; R131-E441 IonicContact NH2-OE1 2.71Å; R131-E441 PolarHBondContact NH2-OE1 3.04Å; R131-E441 IonicContact NH2-OE2 3.84Å
132	F	98.1	Very high	97	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	27%	0.273	C	S	.	.	I	π-helix	trans	-119	-20.4	-169	-53.1	-66.5	0	0	0	115.3	L128 R389 M438 E441 L442 L445 L460	L128-F132 HydrophobicContact CD2-CD2 3.95Å; L128-F132 HydrophobicContact CD2-CE2 3.92Å; L128-F132 WeakPolarHBondContact O-CD2 3.42Å; L128-F132 PolarHBondContact O-N 3.19Å; F132-R389 WeakPolarHBondContact O-CG 3.49Å; F132-R389 PolarHBondContact O-N 3.05Å; F132-M438 HydrophobicContact CD1-CG 3.62Å; F132-M438 HydrophobicContact CD1-SD 4.29Å; F132-M438 HydrophobicContact CE1-CG 3.86Å; F132-E441 HydrophobicContact CE1-CB 3.84Å; F132-E441 WeakPolarHBondContact CE1-OE2 3.29Å; F132-E441 HydrophobicContact CZ-CB 3.71Å; F132-L442 HydrophobicContact CD1-CD2 4.42Å; F132-L442 HydrophobicContact CD1-CG 4.5Å; F132-L442 HydrophobicContact CD2-CD2 3.88Å; F132-L442 HydrophobicContact CE1-CD2 4.2Å; F132-L442 HydrophobicContact CE1-CG 4.08Å; F132-L442 HydrophobicContact CE2-CD2 3.65Å; F132-L442 HydrophobicContact CE2-CG 4.36Å; F132-L442 HydrophobicContact CG-CD2 4.25Å; F132-L442 HydrophobicContact CZ-CD2 3.81Å; F132-L442 HydrophobicContact CZ-CG 4Å; F132-L445 HydrophobicContact CE2-CD1 3.46Å; F132-L445 VanDerWaalsContact CE2-CD1 3.46Å; F132-L445 HydrophobicContact CZ-CD1 3.76Å; F132-L460 HydrophobicContact CB-CD1 3.95Å; F132-L460 HydrophobicContact CB-CD2 3.68Å; F132-L460 HydrophobicContact CB-CG 4.47Å; F132-L460 HydrophobicContact CG-CD1 4.35Å; F132-L460 WeakPolarHBondContact O-CD2 3.34Å
133	L	98.4	Very high	97.2	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.031	26%	0.258	C	S	.	.	I	π-helix	trans	-106.9	-33.9	-177.8	-56.2	-178.3	0	0	0	112.9	A129 R135 R389 N390 M391 L396 A399 I403 Y455 L459 L460	A129-L133 HydrophobicContact CB-CD1 4.38Å; A129-L133 CarbonylContact O-C 3.33Å; A129-L133 WeakPolarHBondContact O-CA 3.5Å; A129-L133 WeakPolarHBondContact O-CB 3.29Å; A129-L133 PolarHBondContact O-N 2.81Å; L133-R135 PolarHBondContact O-N 3.47Å; L133-R389 CarbonylContact O-C 3.53Å; L133-R389 WeakPolarHBondContact O-CA 3.44Å; L133-N390 PolarHBondContact O-N 2.86Å; L133-N390 VanDerWaalsContact O-N 3.07Å; L133-M391 WeakPolarHBondContact O-CB 2.92Å; L133-M391 PolarHBondContact O-N 3.49Å; L133-L396 HydrophobicContact CB-CD1 4.08Å; L133-A399 HydrophobicContact CD1-CB 3.84Å; L133-I403 HydrophobicContact CD1-CD1 4.36Å; L133-Y455 HydrophobicContact CD1-CE1 4.34Å; L133-L459 HydrophobicContact CD1-CD1 4.29Å; L133-L459 HydrophobicContact CD2-CB 3.84Å; L133-L459 HydrophobicContact CD2-CD1 3.88Å; L133-L460 HydrophobicContact CD2-CD2 3.81Å; L133-L460 HydrophobicContact CD2-CG 4.37Å
134	L	98.6	Very high	97.5	Very high	50 Å²	50	55.9 Å²	55.9	26%	0.262	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-57.1	128.3	-179.2	176.5	60.4	0	0	0	112	A129 R130 R136 R389 H393 L396	A129-L134 PolarHBondContact O-N 2.68Å; R130-L134 WeakPolarHBondContact O-CB 3.23Å; L134-R136 PolarHBondContact O-N 3.46Å; L134-R389 CarbonylContact O-C 3.42Å; L134-R389 WeakPolarHBondContact O-CA 3.06Å; L134-H393 HydrophobicContact CD1-CB 3.69Å; L134-L396 HydrophobicContact CB-CD1 4.13Å; L134-L396 HydrophobicContact CB-CD2 3.9Å; L134-L396 HydrophobicContact CD1-CD2 4.04Å; L134-L396 HydrophobicContact CD2-CD2 4.46Å; L134-L396 HydrophobicContact CG-CD2 4.33Å
135	R	98.4	Very high	97.6	Very high	20 Å²	20	51.8 Å²	51.8	8%	0.075	24%	0.236	C	C	.	.			trans	-63.9	128.9	174.9	-174	178.7	-70.3	159.2	7.8	110.5	L133 K137 P340 M342 P343 D344 R389 N390 M391	L133-R135 PolarHBondContact O-N 3.47Å; R135-K137 WeakPolarHBondContact CG-O 3.4Å; R135-P340 PolarHBondContact NH2-O 3.04Å; R135-M342 VanDerWaalsContact CZ-O 3.29Å; R135-M342 PolarHBondContact NH1-O 3.29Å; R135-M342 PolarHBondContact NH2-O 3.44Å; R135-P343 PolarHBondContact NH1-O 3.23Å; R135-D344 WeakPolarHBondContact CD-OD1 3.44Å; R135-D344 IonicContact CZ-OD1 2.76Å; R135-D344 IonicContact NE-OD1 3.57Å; R135-D344 IonicContact NH1-OD1 3.55Å; R135-D344 PolarHBondContact NH1-OD1 3.03Å; R135-R389 WeakPolarHBondContact CA-O 3.4Å; R135-N390 VanDerWaalsContact CZ-O 3.3Å; R135-N390 PolarHBondContact NE-O 3.37Å; R135-N390 PolarHBondContact NE-OD1 3.47Å; R135-N390 VanDerWaalsContact NE-OD1 3.14Å; R135-N390 PolarHBondContact NH2-O 3.16Å; R135-M391 VanDerWaalsContact CB-O 3.23Å; R135-M391 WeakPolarHBondContact CB-O 3.38Å; R135-M391 PolarHBondContact N-O 3.41Å
136	R	95.9	Very high	97.7	Very high	173 Å²	173	51.7 Å²	51.7	65%	0.653	24%	0.235	S	C	*	.	S	Bend	trans	-99.4	-38.4	168.1	-61.5	-175.5	-177.3	178	2	111.8	L134	L134-R136 PolarHBondContact O-N 3.46Å
137	K	97.9	Very high	97.7	Very high	171 Å²	171	48.9 Å²	48.9	74%	0.743	22%	0.222	S	C	*	.	S	Bend	trans	-143.9	141	174.4	179.2	178.8	177.7	-179.4	0	106.7	R135 I139	R135-K137 WeakPolarHBondContact CG-O 3.4Å; K137-I139 WeakPolarHBondContact O-CG1 3.19Å; K137-I139 PolarHBondContact O-N 3.01Å
138	F	98.6	Very high	97.8	Very high	43 Å²	43	45.6 Å²	45.6	19%	0.189	21%	0.205	C	C	.	.			trans	-58.2	123.6	173.8	-176.8	-107.4	0	0	0	111.2	P140 D344 I381	F138-P140 HydrophobicContact CD1-CB 4.38Å; F138-P140 HydrophobicContact CE1-CB 3.83Å; F138-P140 WeakPolarHBondContact O-CD 3.5Å; F138-D344 WeakPolarHBondContact CB-OD2 3.39Å; F138-I381 HydrophobicContact CE1-CG2 3.99Å; F138-I381 HydrophobicContact CZ-CG2 4.44Å
139	I	98.6	Very high	97.9	Very high	49 Å²	49	45.4 Å²	45.4	25%	0.251	20%	0.204	S	C	.	.			trans	-105	102.9	174	-51.1	177.6	0	0	0	106.5	K137 G383 R384 N390	K137-I139 WeakPolarHBondContact O-CG1 3.19Å; K137-I139 PolarHBondContact O-N 3.01Å; I139-G383 CarbonylContact O-C 3.56Å; I139-G383 WeakPolarHBondContact O-CA 3.42Å; I139-R384 HydrophobicContact CG2-CB 4.25Å; I139-R384 PolarHBondContact O-N 3.02Å; I139-N390 HydrophobicContact CB-CB 4.49Å; I139-N390 HydrophobicContact CD1-CB 4.36Å; I139-N390 PolarHBondContact N-OD1 3.17Å; I139-N390 PolarHBondContact O-ND2 3.47Å
140	P	98.5	Very high	98	Very high	61 Å²	61	45.6 Å²	45.6	40%	0.396	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-64	150.1	177.8	26.1	-32.8	0	0	0	110.7	F138 P142 I381	F138-P140 HydrophobicContact CD1-CB 4.38Å; F138-P140 HydrophobicContact CE1-CB 3.83Å; F138-P140 WeakPolarHBondContact O-CD 3.5Å; P140-P142 WeakPolarHBondContact O-CD 3.49Å; P140-I381 HydrophobicContact CB-CD1 3.63Å; P140-I381 HydrophobicContact CB-CG1 4.06Å; P140-I381 HydrophobicContact CB-CG2 4.28Å
141	D	98.4	Very high	98.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	18%	0.176	C	C	.	.			trans	-65.5	123.1	172.1	169.4	46.5	0	0	0	111.2	Q143 G144 T145 A382 I468	D141-Q143 PolarHBondContact O-N 3.39Å; D141-Q143 PolarHBondContact OD1-N 3.24Å; D141-Q143 WeakPolarHBondContact OD2-CA 3.43Å; D141-Q143 WeakPolarHBondContact OD2-CB 3.22Å; D141-Q143 PolarHBondContact OD2-N 2.97Å; D141-G144 PolarHBondContact O-N 3.34Å; D141-G144 VanDerWaalsContact O-N 3.09Å; D141-G144 PolarHBondContact OD2-N 2.98Å; D141-T145 WeakPolarHBondContact OD2-CB 3.48Å; D141-T145 PolarHBondContact OD2-N 3.45Å; D141-T145 PolarHBondContact OD2-OG1 2.96Å; D141-A382 PolarHBondContact N-O 2.85Å; D141-I468 HydrophobicContact CB-CD1 4.25Å; D141-I468 HydrophobicContact CB-CG1 4.25Å; D141-I468 WeakPolarHBondContact OD1-CA 3.49Å; D141-I468 WeakPolarHBondContact OD1-CB 3.43Å; D141-I468 VanDerWaalsContact OD1-CG1 3.28Å; D141-I468 WeakPolarHBondContact OD1-CG1 3.27Å
142	P	96.9	Very high	98.1	Very high	62 Å²	62	32.4 Å²	32.4	40%	0.403	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.6	178.8	28.3	-37.9	0	0	0	114.3	P140 G144 N466	P140-P142 WeakPolarHBondContact O-CD 3.49Å; P142-G144 PolarHBondContact O-N 3.31Å; P142-N466 HydrophobicContact CB-CB 4.42Å; P142-N466 VanDerWaalsContact CG-C 3.47Å
143	Q	95.1	Very high	98.2	Very high	28 Å²	28	32.6 Å²	32.6	13%	0.131	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.6	174.6	-62.4	175.6	-119.1	0	0	112.7	D141 T145 Q302 L303 N466	D141-Q143 PolarHBondContact O-N 3.39Å; D141-Q143 PolarHBondContact OD1-N 3.24Å; D141-Q143 WeakPolarHBondContact OD2-CA 3.43Å; D141-Q143 WeakPolarHBondContact OD2-CB 3.22Å; D141-Q143 PolarHBondContact OD2-N 2.97Å; Q143-T145 VanDerWaalsContact C-N 3.34Å; Q143-Q302 PolarHBondContact NE2-O 3.4Å; Q143-Q302 PolarHBondContact O-NE2 2.93Å; Q143-Q302 VanDerWaalsContact O-NE2 3.1Å; Q143-L303 PolarHBondContact NE2-O 3.33Å; Q143-L303 VanDerWaalsContact NE2-O 3.12Å; Q143-N466 VanDerWaalsContact CG-O 3.32Å; Q143-N466 WeakPolarHBondContact CG-O 3.23Å
144	G	97.4	Very high	98.2	Very high	8 Å²	8	34 Å²	34	8%	0.082	16%	0.164	C	C	.	.			trans	74.8	21.5	179.2	0	0	0	0	0	113.5	D141 P142 R532 V533	D141-G144 PolarHBondContact O-N 3.34Å; D141-G144 VanDerWaalsContact O-N 3.09Å; D141-G144 PolarHBondContact OD2-N 2.98Å; P142-G144 PolarHBondContact O-N 3.31Å; G144-R532 CarbonylContact O-C 3.53Å; G144-R532 VanDerWaalsContact O-CA 3.26Å; G144-R532 WeakPolarHBondContact O-CA 3.42Å; G144-R532 WeakPolarHBondContact O-CG 3.37Å; G144-V533 PolarHBondContact O-N 2.93Å
145	T	98.5	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-57.5	141.9	174.6	-70.9	0	0	0	0	110.9	D141 Q143 F149 Q302 L341 A382 I468 F531	D141-T145 WeakPolarHBondContact OD2-CB 3.48Å; D141-T145 PolarHBondContact OD2-N 3.45Å; D141-T145 PolarHBondContact OD2-OG1 2.96Å; Q143-T145 VanDerWaalsContact C-N 3.34Å; T145-F149 HydrophobicContact CG2-CB 3.63Å; T145-F149 HydrophobicContact CG2-CD1 3.23Å; T145-F149 HydrophobicContact CG2-CD2 4.23Å; T145-F149 HydrophobicContact CG2-CE1 3.92Å; T145-F149 HydrophobicContact CG2-CG 3.43Å; T145-F149 VanDerWaalsContact CG2-CG 3.43Å; T145-Q302 PolarHBondContact OG1-NE2 3.36Å; T145-Q302 VanDerWaalsContact OG1-NE2 3.12Å; T145-L341 HydrophobicContact CG2-CD2 4.23Å; T145-A382 HydrophobicContact CG2-CB 4.1Å; T145-A382 WeakPolarHBondContact O-CB 3.42Å; T145-A382 PolarHBondContact O-N 2.69Å; T145-I468 HydrophobicContact CG2-CD1 4.47Å; T145-F531 WeakPolarHBondContact CA-O 3.4Å
146	N	98.7	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-115.1	179.9	-176.3	64.6	22.5	0	0	0	113.4	M148 F149 A150 F377 S378 Q380 S530 F531 R532 V533	N146-M148 VanDerWaalsContact C-N 3.32Å; N146-M148 PolarHBondContact O-N 3.43Å; N146-M148 WeakPolarHBondContact OD1-CB 3.32Å; N146-M148 PolarHBondContact OD1-N 3.14Å; N146-F149 WeakPolarHBondContact O-CB 3.34Å; N146-F149 PolarHBondContact O-N 3.03Å; N146-F149 PolarHBondContact OD1-N 3.09Å; N146-A150 PolarHBondContact O-N 3.34Å; N146-A150 VanDerWaalsContact O-N 3.15Å; N146-F377 WeakPolarHBondContact CB-O 3.4Å; N146-S378 VanDerWaalsContact ND2-CA 3.33Å; N146-S378 WeakPolarHBondContact ND2-CA 3.45Å; N146-S378 PolarHBondContact ND2-O 3.23Å; N146-Q380 CarbonylContact C-O 3.59Å; N146-Q380 WeakPolarHBondContact CA-O 3.34Å; N146-Q380 VanDerWaalsContact CB-O 3.25Å; N146-Q380 WeakPolarHBondContact CB-O 3.44Å; N146-S530 PolarHBondContact ND2-O 3.31Å; N146-S530 PolarHBondContact OD1-O 3.01Å; N146-F531 PolarHBondContact N-O 3.16Å; N146-F531 VanDerWaalsContact ND2-C 3.31Å; N146-F531 PolarHBondContact OD1-O 3.44Å; N146-R532 VanDerWaalsContact ND2-C 3.34Å; N146-R532 PolarHBondContact ND2-N 3.34Å; N146-R532 PolarHBondContact ND2-O 2.93Å; N146-V533 HydrophobicContact CB-CG1 3.79Å
147	L	98.8	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71.8	-24.3	178.6	-62.3	-170.1	0	0	0	113.7	F149 A150 F151 P343 F346 F377 Q380 A382	L147-F149 VanDerWaalsContact C-N 3.27Å; L147-F149 PolarHBondContact O-N 3.22Å; L147-A150 HydrophobicContact CD2-CB 4.35Å; L147-A150 PolarHBondContact O-N 2.94Å; L147-A150 VanDerWaalsContact O-N 3.15Å; L147-F151 HydrophobicContact CB-CD2 4.24Å; L147-F151 HydrophobicContact CB-CE2 4.09Å; L147-F151 HydrophobicContact CD1-CE2 4.46Å; L147-F151 WeakPolarHBondContact O-CD2 3.09Å; L147-F151 PolarHBondContact O-N 2.84Å; L147-P343 HydrophobicContact CD1-CG 3.99Å; L147-P343 HydrophobicContact CD2-CG 4.13Å; L147-F346 HydrophobicContact CD1-CD1 4.04Å; L147-F377 CarbonylContact C-O 3.23Å; L147-F377 HydrophobicContact CB-CB 3.97Å; L147-F377 HydrophobicContact CB-CD1 4.25Å; L147-F377 HydrophobicContact CB-CG 4.34Å; L147-F377 HydrophobicContact CD1-CD1 4.24Å; L147-F377 PolarHBondContact N-O 2.79Å; L147-Q380 HydrophobicContact CD1-CB 3.97Å; L147-Q380 VanDerWaalsContact CD1-CD 3.41Å; L147-Q380 HydrophobicContact CD1-CG 3.81Å; L147-Q380 VanDerWaalsContact CD1-OE1 3.26Å; L147-Q380 HydrophobicContact CG-CB 4.03Å; L147-Q380 HydrophobicContact CG-CG 4.02Å; L147-Q380 PolarHBondContact N-O 3.33Å; L147-A382 HydrophobicContact CD2-CB 4.28Å
148	M	98.8	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-44.4	171.4	-167.5	61.5	175.6	0	0	109.5	N146 F152 Y252 L255 V374 F377 S378 L515 V519 V529	N146-M148 VanDerWaalsContact C-N 3.32Å; N146-M148 PolarHBondContact O-N 3.43Å; N146-M148 WeakPolarHBondContact OD1-CB 3.32Å; N146-M148 PolarHBondContact OD1-N 3.14Å; M148-F152 VanDerWaalsContact O-CB 3.28Å; M148-F152 WeakPolarHBondContact O-CB 3.49Å; M148-F152 PolarHBondContact O-N 3.22Å; M148-Y252 HydrophobicContact CE-CE1 3.79Å; M148-Y252 HydrophobicContact CE-CE2 4.29Å; M148-Y252 VanDerWaalsContact CE-CZ 3.49Å; M148-Y252 WeakPolarHBondContact CE-OH 3.23Å; M148-Y252 VanDerWaalsContact CG-OH 3.26Å; M148-Y252 WeakPolarHBondContact CG-OH 3.3Å; M148-Y252 PolarHBondContact O-OH 3.46Å; M148-Y252 HydrophobicContact SD-CE2 4.02Å; M148-Y252 PolarHBondContact SD-OH 3.1Å; M148-L255 HydrophobicContact CE-CD1 4.3Å; M148-V374 HydrophobicContact CE-CG1 4.05Å; M148-V374 HydrophobicContact CE-CG2 3.91Å; M148-V374 HydrophobicContact SD-CG1 4.42Å; M148-V374 HydrophobicContact SD-CG2 4.43Å; M148-F377 HydrophobicContact CB-CB 4.33Å; M148-F377 PolarHBondContact N-O 2.82Å; M148-S378 WeakPolarHBondContact CB-OG 3.48Å; M148-L515 HydrophobicContact CE-CD1 4.28Å; M148-L515 HydrophobicContact CG-CD2 4.49Å; M148-V519 HydrophobicContact CE-CG2 4.03Å; M148-V529 HydrophobicContact CE-CG2 4.33Å
149	F	98.9	Very high	98.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-45.1	171.2	177.6	-80.1	0	0	0	112.4	T145 N146 L147 F151 F152 A153 Y299 Q302 L303 W338 L341 F531	T145-F149 HydrophobicContact CG2-CB 3.63Å; T145-F149 HydrophobicContact CG2-CD1 3.23Å; T145-F149 HydrophobicContact CG2-CD2 4.23Å; T145-F149 HydrophobicContact CG2-CE1 3.92Å; T145-F149 HydrophobicContact CG2-CG 3.43Å; T145-F149 VanDerWaalsContact CG2-CG 3.43Å; N146-F149 WeakPolarHBondContact O-CB 3.34Å; N146-F149 PolarHBondContact O-N 3.03Å; N146-F149 PolarHBondContact OD1-N 3.09Å; L147-F149 VanDerWaalsContact C-N 3.27Å; L147-F149 PolarHBondContact O-N 3.22Å; F149-F151 PolarHBondContact O-N 3.37Å; F149-F152 WeakPolarHBondContact O-CB 3.38Å; F149-F152 PolarHBondContact O-N 3.29Å; F149-A153 HydrophobicContact CE1-CB 4.5Å; F149-A153 WeakPolarHBondContact O-CB 3.3Å; F149-A153 PolarHBondContact O-N 2.86Å; F149-Y299 HydrophobicContact CD1-CE2 4.26Å; F149-Y299 AromaticContact CD2-CD2 3.54Å; F149-Y299 HydrophobicContact CD2-CD2 3.54Å; F149-Y299 AromaticContact CD2-CE2 3.7Å; F149-Y299 HydrophobicContact CD2-CE2 3.7Å; F149-Y299 AromaticContact CE1-CE2 3.8Å; F149-Y299 HydrophobicContact CE1-CE2 3.8Å; F149-Y299 AromaticContact CE2-CD2 3.2Å; F149-Y299 HydrophobicContact CE2-CD2 3.2Å; F149-Y299 AromaticContact CE2-CE2 3.19Å; F149-Y299 HydrophobicContact CE2-CE2 3.19Å; F149-Y299 HydrophobicContact CE2-CG 4.01Å; F149-Y299 AromaticContact CE2-CZ 4Å; F149-Y299 HydrophobicContact CG-CD2 4.37Å; F149-Y299 HydrophobicContact CG-CE2 4.21Å; F149-Y299 AromaticContact CZ-CD2 3.78Å; F149-Y299 HydrophobicContact CZ-CD2 3.78Å; F149-Y299 AromaticContact CZ-CE2 3.22Å; F149-Y299 HydrophobicContact CZ-CE2 3.22Å; F149-Y299 AromaticContact CZ-CZ 3.69Å; F149-Q302 HydrophobicContact CD2-CB 4.49Å; F149-Q302 HydrophobicContact CD2-CG 4.14Å; F149-Q302 HydrophobicContact CE2-CB 4.47Å; F149-Q302 HydrophobicContact CE2-CG 4.34Å; F149-L303 HydrophobicContact CE1-CD1 4.46Å; F149-L303 HydrophobicContact CE2-CB 4.17Å; F149-L303 HydrophobicContact CZ-CB 4.05Å; F149-L303 HydrophobicContact CZ-CD1 3.77Å; F149-L303 HydrophobicContact CZ-CG 4.38Å; F149-W338 HydrophobicContact CE1-CZ3 4.47Å; F149-W338 HydrophobicContact CZ-CZ3 4.43Å; F149-L341 HydrophobicContact CE1-CD1 4.33Å; F149-F531 VanDerWaalsContact CA-CD1 3.45Å; F149-F531 HydrophobicContact CB-CB 4.04Å; F149-F531 HydrophobicContact CB-CD1 3.72Å; F149-F531 HydrophobicContact CB-CG 4.15Å; F149-F531 HydrophobicContact CD2-CB 3.97Å; F149-F531 HydrophobicContact CD2-CD1 4.24Å; F149-F531 HydrophobicContact CD2-CD2 4.5Å; F149-F531 HydrophobicContact CD2-CG 4.01Å; F149-F531 HydrophobicContact CG-CD1 4.45Å
150	A	98.8	Very high	98.4	Very high	4 Å²	4	13.6 Å²	13.6	3%	0.033	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-46.1	-177.8	0	0	0	0	0	112.2	N146 L147 A153 Q154 L341	N146-A150 PolarHBondContact O-N 3.34Å; N146-A150 VanDerWaalsContact O-N 3.15Å; L147-A150 HydrophobicContact CD2-CB 4.35Å; L147-A150 PolarHBondContact O-N 2.94Å; L147-A150 VanDerWaalsContact O-N 3.15Å; A150-A153 WeakPolarHBondContact O-CB 3.36Å; A150-A153 PolarHBondContact O-N 3.39Å; A150-Q154 PolarHBondContact O-N 2.89Å; A150-Q154 VanDerWaalsContact O-N 3.07Å; A150-L341 HydrophobicContact CB-CB 3.97Å; A150-L341 HydrophobicContact CB-CD1 4.26Å
151	F	98.9	Very high	98.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-71.6	-31.6	176.6	-67.4	-53.6	0	0	0	112.5	L147 F149 Q154 H155 L246 Y252 M342 F346 F358 F377	L147-F151 HydrophobicContact CB-CD2 4.24Å; L147-F151 HydrophobicContact CB-CE2 4.09Å; L147-F151 HydrophobicContact CD1-CE2 4.46Å; L147-F151 WeakPolarHBondContact O-CD2 3.09Å; L147-F151 PolarHBondContact O-N 2.84Å; F149-F151 PolarHBondContact O-N 3.37Å; F151-Q154 PolarHBondContact O-N 3.41Å; F151-H155 WeakPolarHBondContact O-CB 3.06Å; F151-H155 PolarHBondContact O-N 3.5Å; F151-L246 HydrophobicContact CE1-CD1 4.27Å; F151-Y252 HydrophobicContact CB-CD2 4.05Å; F151-Y252 HydrophobicContact CB-CE2 3.86Å; F151-M342 HydrophobicContact CE1-CE 4.04Å; F151-M342 HydrophobicContact CZ-CE 4.29Å; F151-F346 HydrophobicContact CZ-CD1 4.16Å; F151-F346 AromaticContact CZ-CE1 3.82Å; F151-F346 HydrophobicContact CZ-CE1 3.82Å; F151-F358 HydrophobicContact CE1-CE1 4.09Å; F151-F358 HydrophobicContact CE1-CZ 4.34Å; F151-F358 HydrophobicContact CE2-CZ 4.19Å; F151-F358 AromaticContact CZ-CE1 3.65Å; F151-F358 HydrophobicContact CZ-CE1 3.65Å; F151-F358 AromaticContact CZ-CZ 3.58Å; F151-F358 HydrophobicContact CZ-CZ 3.58Å; F151-F377 HydrophobicContact CD2-CD1 4.44Å; F151-F377 AromaticContact CD2-CD2 3.79Å; F151-F377 HydrophobicContact CD2-CD2 3.79Å; F151-F377 AromaticContact CD2-CE2 4Å; F151-F377 HydrophobicContact CD2-CE2 4Å; F151-F377 HydrophobicContact CD2-CG 4.04Å; F151-F377 HydrophobicContact CD2-CZ 4.42Å; F151-F377 AromaticContact CE2-CD1 3.92Å; F151-F377 HydrophobicContact CE2-CD1 3.92Å; F151-F377 AromaticContact CE2-CD2 3.94Å; F151-F377 HydrophobicContact CE2-CD2 3.94Å; F151-F377 AromaticContact CE2-CE1 3.83Å; F151-F377 HydrophobicContact CE2-CE1 3.83Å; F151-F377 AromaticContact CE2-CE2 3.85Å; F151-F377 HydrophobicContact CE2-CE2 3.85Å; F151-F377 AromaticContact CE2-CG 3.98Å; F151-F377 HydrophobicContact CE2-CG 3.98Å; F151-F377 AromaticContact CE2-CZ 3.8Å; F151-F377 HydrophobicContact CE2-CZ 3.8Å
152	F	98.9	Very high	98.3	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.009	7%	0.066	C	C	.	.	H	α-helix	trans	-61.7	-49.1	170.8	-174.1	-95.4	0	0	0	111.1	M148 F149 Q154 H155 F156 Y252 I294 V295 Y299 F531	M148-F152 VanDerWaalsContact O-CB 3.28Å; M148-F152 WeakPolarHBondContact O-CB 3.49Å; M148-F152 PolarHBondContact O-N 3.22Å; F149-F152 WeakPolarHBondContact O-CB 3.38Å; F149-F152 PolarHBondContact O-N 3.29Å; F152-Q154 VanDerWaalsContact C-N 3.3Å; F152-Q154 PolarHBondContact O-N 2.88Å; F152-H155 PolarHBondContact O-N 3.16Å; F152-F156 HydrophobicContact CD1-CB 4.42Å; F152-F156 HydrophobicContact CE1-CB 4.28Å; F152-F156 HydrophobicContact CE1-CG 4.48Å; F152-F156 WeakPolarHBondContact O-CB 3.45Å; F152-F156 PolarHBondContact O-N 2.81Å; F152-Y252 HydrophobicContact CB-CE1 4.38Å; F152-Y252 HydrophobicContact CB-CE2 3.93Å; F152-Y252 WeakPolarHBondContact CB-OH 3.46Å; F152-Y252 HydrophobicContact CD2-CD1 4.31Å; F152-Y252 AromaticContact CD2-CE1 3.64Å; F152-Y252 HydrophobicContact CD2-CE1 3.64Å; F152-Y252 AromaticContact CD2-CZ 3.81Å; F152-Y252 HydrophobicContact CG-CE1 4.5Å; F152-I294 HydrophobicContact CE2-CG2 4.28Å; F152-I294 HydrophobicContact CZ-CG2 4.09Å; F152-V295 HydrophobicContact CE1-CG2 3.83Å; F152-V295 HydrophobicContact CZ-CG2 3.8Å; F152-Y299 AromaticContact CD1-CD2 3.41Å; F152-Y299 HydrophobicContact CD1-CD2 3.41Å; F152-Y299 VanDerWaalsContact CD1-CD2 3.41Å; F152-Y299 AromaticContact CD1-CE2 3.82Å; F152-Y299 HydrophobicContact CD1-CE2 3.82Å; F152-Y299 AromaticContact CD1-CG 3.96Å; F152-Y299 HydrophobicContact CD1-CG 3.96Å; F152-Y299 AromaticContact CE1-CD2 3.79Å; F152-Y299 HydrophobicContact CE1-CD2 3.79Å; F152-Y299 HydrophobicContact CE1-CE2 4.42Å; F152-Y299 AromaticContact CE1-CG 3.84Å; F152-Y299 HydrophobicContact CE1-CG 3.84Å; F152-Y299 HydrophobicContact CG-CD2 4.5Å; F152-F531 HydrophobicContact CB-CE1 3.62Å; F152-F531 HydrophobicContact CB-CZ 3.98Å; F152-F531 HydrophobicContact CD1-CE1 4.24Å; F152-F531 AromaticContact CD1-CZ 3.75Å; F152-F531 HydrophobicContact CD1-CZ 3.75Å; F152-F531 HydrophobicContact CD2-CE1 4.12Å; F152-F531 AromaticContact CD2-CZ 3.74Å; F152-F531 HydrophobicContact CD2-CZ 3.74Å; F152-F531 HydrophobicContact CE1-CZ 4.11Å; F152-F531 HydrophobicContact CE2-CZ 4.11Å; F152-F531 AromaticContact CG-CE1 3.74Å; F152-F531 HydrophobicContact CG-CE1 3.74Å; F152-F531 AromaticContact CG-CZ 3.54Å; F152-F531 HydrophobicContact CG-CZ 3.54Å; F152-F531 HydrophobicContact CZ-CZ 4.27Å
153	A	98.6	Very high	98.4	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-55.4	-48.2	178	0	0	0	0	0	110.7	F149 A150 T157 Y299 Y336	F149-A153 HydrophobicContact CE1-CB 4.5Å; F149-A153 WeakPolarHBondContact O-CB 3.3Å; F149-A153 PolarHBondContact O-N 2.86Å; A150-A153 WeakPolarHBondContact O-CB 3.36Å; A150-A153 PolarHBondContact O-N 3.39Å; A153-T157 WeakPolarHBondContact O-CB 3.21Å; A153-T157 VanDerWaalsContact O-CG2 3.27Å; A153-T157 WeakPolarHBondContact O-CG2 3.42Å; A153-T157 PolarHBondContact O-N 3.4Å; A153-T157 PolarHBondContact O-OG1 2.98Å; A153-Y299 HydrophobicContact CB-CE2 3.84Å; A153-Y299 WeakPolarHBondContact CB-OH 3.2Å; A153-Y336 HydrophobicContact CB-CE1 4.47Å
154	Q	98.8	Very high	98.4	Very high	37 Å²	37	11.4 Å²	11.4	17%	0.173	6%	0.061	C	C	.	.	H	α-helix	trans	-65.2	-49.4	-179.9	-163.8	-177.8	12.6	0	0	111.9	A150 F151 F152 T157 H158 L246 L249	A150-Q154 PolarHBondContact O-N 2.89Å; A150-Q154 VanDerWaalsContact O-N 3.07Å; F151-Q154 PolarHBondContact O-N 3.41Å; F152-Q154 VanDerWaalsContact C-N 3.3Å; F152-Q154 PolarHBondContact O-N 2.88Å; Q154-T157 PolarHBondContact O-OG1 3.35Å; Q154-H158 VanDerWaalsContact O-CB 3.27Å; Q154-H158 WeakPolarHBondContact O-CB 3.44Å; Q154-H158 PolarHBondContact O-CD2 3.33Å; Q154-H158 PolarHBondContact O-N 3.18Å; Q154-H158 VanDerWaalsContact O-N 3.1Å; Q154-L246 VanDerWaalsContact OE1-CD1 3.24Å; Q154-L249 HydrophobicContact CB-CD2 3.92Å; Q154-L249 HydrophobicContact CG-CD2 3.84Å
155	H	98.9	Very high	98.2	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-49.8	178.5	178.1	-87.1	0	0	0	111.7	F151 F152 T157 H183 F243 L249 Y252 A253 W256	F151-H155 WeakPolarHBondContact O-CB 3.06Å; F151-H155 PolarHBondContact O-N 3.5Å; F152-H155 PolarHBondContact O-N 3.16Å; H155-T157 PolarHBondContact O-N 2.87Å; H155-H183 AromaticContact CE1-CD2 3.03Å; H155-H183 PolarHBondContact CE1-CD2 3.04Å; H155-H183 AromaticContact CE1-NE2 3.09Å; H155-H183 PolarHBondContact CE1-NE2 2.83Å; H155-H183 AromaticContact CG-CD2 3.99Å; H155-H183 AromaticContact ND1-CD2 3.34Å; H155-H183 PolarHBondContact ND1-CD2 3.02Å; H155-H183 VanDerWaalsContact ND1-CD2 3.34Å; H155-H183 AromaticContact ND1-NE2 3.29Å; H155-H183 PolarHBondContact ND1-NE2 2.77Å; H155-H183 AromaticContact NE2-CD2 3.52Å; H155-H183 PolarHBondContact O-CD2 2.7Å; H155-H183 VanDerWaalsContact O-CD2 3.31Å; H155-F243 HydrophobicContact CB-CZ 4.49Å; H155-F243 AromaticContact CD2-CD2 3.88Å; H155-F243 AromaticContact CD2-CE2 3.19Å; H155-F243 WeakPolarHBondContact CD2-CE2 3.33Å; H155-F243 AromaticContact CD2-CZ 3.64Å; H155-F243 AromaticContact NE2-CE2 3.43Å; H155-F243 WeakPolarHBondContact NE2-CE2 3.48Å; H155-L249 HydrophobicContact CB-CD2 3.95Å; H155-Y252 HydrophobicContact CB-CD2 4.37Å; H155-Y252 HydrophobicContact CB-CG 4.35Å; H155-Y252 WeakPolarHBondContact CD2-CB 3.2Å; H155-A253 PolarHBondContact NE2-N 3.5Å; H155-W256 AromaticContact CE1-CD1 3.34Å; H155-W256 AromaticContact CE1-NE1 3.76Å
156	F	98.8	Very high	98.1	Very high	12 Å²	12	24.7 Å²	24.7	5%	0.053	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-46.2	-179.2	172.4	-111.2	0	0	0	111.9	F152 Q159 F160 V179 T291 V295 L485	F152-F156 HydrophobicContact CD1-CB 4.42Å; F152-F156 HydrophobicContact CE1-CB 4.28Å; F152-F156 HydrophobicContact CE1-CG 4.48Å; F152-F156 WeakPolarHBondContact O-CB 3.45Å; F152-F156 PolarHBondContact O-N 2.81Å; F156-Q159 VanDerWaalsContact CE2-NE2 3.32Å; F156-Q159 WeakPolarHBondContact O-CG 3.25Å; F156-Q159 PolarHBondContact O-NE2 3.34Å; F156-F160 HydrophobicContact CD1-CE1 4.2Å; F156-F160 HydrophobicContact CD1-CZ 4.2Å; F156-F160 AromaticContact CE1-CE1 3.72Å; F156-F160 HydrophobicContact CE1-CE1 3.72Å; F156-F160 AromaticContact CE1-CZ 3.79Å; F156-F160 HydrophobicContact CE1-CZ 3.79Å; F156-F160 HydrophobicContact CE2-CE1 4.25Å; F156-F160 AromaticContact CZ-CE1 3.74Å; F156-F160 HydrophobicContact CZ-CE1 3.74Å; F156-F160 HydrophobicContact CZ-CZ 4.26Å; F156-V179 HydrophobicContact CE2-CG1 4.3Å; F156-V179 HydrophobicContact CE2-CG2 3.71Å; F156-V179 HydrophobicContact CZ-CG2 3.8Å; F156-T291 HydrophobicContact CD2-CG2 3.85Å; F156-T291 HydrophobicContact CE2-CG2 3.77Å; F156-V295 HydrophobicContact CD1-CG2 4.44Å; F156-V295 HydrophobicContact CD2-CG2 3.91Å; F156-V295 HydrophobicContact CE1-CG1 4.27Å; F156-V295 HydrophobicContact CE1-CG2 4.2Å; F156-V295 HydrophobicContact CE2-CG2 3.66Å; F156-V295 HydrophobicContact CG-CG2 4.32Å; F156-V295 HydrophobicContact CZ-CG1 4.2Å; F156-V295 HydrophobicContact CZ-CG2 3.82Å; F156-L485 HydrophobicContact CZ-CD2 4.02Å
157	T	98.6	Very high	97.9	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-78.4	-27.7	-174.1	58	0	0	0	0	114.1	A153 Q154 H155 Q159 F160 F161 Y336	A153-T157 WeakPolarHBondContact O-CB 3.21Å; A153-T157 VanDerWaalsContact O-CG2 3.27Å; A153-T157 WeakPolarHBondContact O-CG2 3.42Å; A153-T157 PolarHBondContact O-N 3.4Å; A153-T157 PolarHBondContact O-OG1 2.98Å; Q154-T157 PolarHBondContact O-OG1 3.35Å; H155-T157 PolarHBondContact O-N 2.87Å; T157-Q159 PolarHBondContact O-N 3.49Å; T157-F160 HydrophobicContact CG2-CE2 3.96Å; T157-F160 HydrophobicContact CG2-CZ 3.67Å; T157-F160 WeakPolarHBondContact O-CD2 3.36Å; T157-F160 PolarHBondContact O-N 2.93Å; T157-F161 HydrophobicContact CG2-CD2 4.46Å; T157-F161 HydrophobicContact CG2-CE2 4.18Å; T157-F161 PolarHBondContact O-N 2.9Å; T157-Y336 HydrophobicContact CG2-CD1 3.37Å; T157-Y336 HydrophobicContact CG2-CD2 4.43Å; T157-Y336 HydrophobicContact CG2-CE1 3.09Å; T157-Y336 HydrophobicContact CG2-CE2 4.2Å; T157-Y336 HydrophobicContact CG2-CG 4.03Å
158	H	98.6	Very high	97.7	Very high	46 Å²	46	30.7 Å²	30.7	21%	0.213	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-4.9	176.4	-80.6	-143.9	0	0	0	114	Q154 K162 Q240 F243	Q154-H158 VanDerWaalsContact O-CB 3.27Å; Q154-H158 WeakPolarHBondContact O-CB 3.44Å; Q154-H158 PolarHBondContact O-CD2 3.33Å; Q154-H158 PolarHBondContact O-N 3.18Å; Q154-H158 VanDerWaalsContact O-N 3.1Å; H158-K162 VanDerWaalsContact O-CG 3.3Å; H158-K162 WeakPolarHBondContact O-CG 3.48Å; H158-Q240 HydrophobicContact CB-CG 4.44Å; H158-F243 HydrophobicContact CB-CE1 3.68Å; H158-F243 HydrophobicContact CB-CZ 4.1Å
159	Q	98.5	Very high	97.5	Very high	3 Å²	3	32 Å²	32	1%	0.014	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-30.7	168.9	88.2	-172.8	-75.5	0	0	112.9	F156 T157 A174 H183	F156-Q159 VanDerWaalsContact CE2-NE2 3.32Å; F156-Q159 WeakPolarHBondContact O-CG 3.25Å; F156-Q159 PolarHBondContact O-NE2 3.34Å; T157-Q159 PolarHBondContact O-N 3.49Å; Q159-A174 VanDerWaalsContact O-CB 3.23Å; Q159-A174 WeakPolarHBondContact O-CB 3.45Å; Q159-H183 HydrophobicContact CB-CB 3.69Å; Q159-H183 VanDerWaalsContact CB-CG 3.45Å; Q159-H183 WeakPolarHBondContact CB-ND1 3.47Å; Q159-H183 VanDerWaalsContact CD-CE1 3.44Å; Q159-H183 PolarHBondContact NE2-CE1 3.19Å; Q159-H183 PolarHBondContact OE1-CE1 3.02Å; Q159-H183 PolarHBondContact OE1-ND1 2.73Å
160	F	98.2	Very high	97.2	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.035	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-11.7	-175.9	53.9	-112.4	0	0	0	113.9	F156 T157 I328 F332	F156-F160 HydrophobicContact CD1-CE1 4.2Å; F156-F160 HydrophobicContact CD1-CZ 4.2Å; F156-F160 AromaticContact CE1-CE1 3.72Å; F156-F160 HydrophobicContact CE1-CE1 3.72Å; F156-F160 AromaticContact CE1-CZ 3.79Å; F156-F160 HydrophobicContact CE1-CZ 3.79Å; F156-F160 HydrophobicContact CE2-CE1 4.25Å; F156-F160 AromaticContact CZ-CE1 3.74Å; F156-F160 HydrophobicContact CZ-CE1 3.74Å; F156-F160 HydrophobicContact CZ-CZ 4.26Å; T157-F160 HydrophobicContact CG2-CE2 3.96Å; T157-F160 HydrophobicContact CG2-CZ 3.67Å; T157-F160 WeakPolarHBondContact O-CD2 3.36Å; T157-F160 PolarHBondContact O-N 2.93Å; F160-I328 HydrophobicContact CB-CD1 4.07Å; F160-I328 HydrophobicContact CB-CG1 4Å; F160-I328 HydrophobicContact CD2-CD1 3.76Å; F160-I328 HydrophobicContact CD2-CG1 4.36Å; F160-I328 HydrophobicContact CE2-CD1 4.41Å; F160-I328 HydrophobicContact CG-CD1 3.97Å; F160-I328 HydrophobicContact CG-CG1 4.42Å; F160-F332 AromaticContact CE2-CE1 3.92Å; F160-F332 HydrophobicContact CE2-CE1 3.92Å; F160-F332 HydrophobicContact CZ-CE1 4.41Å
161	F	98.5	Very high	97.1	Very high	23 Å²	23	39.5 Å²	39.5	10%	0.101	23%	0.229	C	C	.	.			trans	-101.1	88.3	166.2	-62.4	-37.4	0	0	0	110.9	T157 I328 F332 N333 Y336	T157-F161 HydrophobicContact CG2-CD2 4.46Å; T157-F161 HydrophobicContact CG2-CE2 4.18Å; T157-F161 PolarHBondContact O-N 2.9Å; F161-I328 HydrophobicContact CD1-CG2 3.79Å; F161-I328 HydrophobicContact CE1-CG2 3.43Å; F161-I328 VanDerWaalsContact CE1-CG2 3.43Å; F161-F332 AromaticContact CE1-CD1 3.86Å; F161-F332 HydrophobicContact CE1-CD1 3.86Å; F161-F332 HydrophobicContact CE1-CE1 4.41Å; F161-F332 HydrophobicContact CE1-CG 4.38Å; F161-F332 HydrophobicContact CZ-CB 4.45Å; F161-F332 AromaticContact CZ-CD1 3.48Å; F161-F332 HydrophobicContact CZ-CD1 3.48Å; F161-F332 VanDerWaalsContact CZ-CD1 3.48Å; F161-F332 AromaticContact CZ-CE1 3.75Å; F161-F332 HydrophobicContact CZ-CE1 3.75Å; F161-F332 AromaticContact CZ-CG 3.91Å; F161-F332 HydrophobicContact CZ-CG 3.91Å; F161-F332 HydrophobicContact CZ-CZ 4.39Å; F161-F332 WeakPolarHBondContact CZ-O 3.48Å; F161-N333 WeakPolarHBondContact CB-ND2 3.45Å; F161-N333 HydrophobicContact CD1-CB 3.64Å; F161-N333 VanDerWaalsContact CD1-ND2 3.33Å; F161-N333 WeakPolarHBondContact CD1-ND2 3.47Å; F161-N333 HydrophobicContact CE1-CB 3.59Å; F161-N333 HydrophobicContact CG-CB 4.37Å; F161-N333 VanDerWaalsContact CG-ND2 3.33Å; F161-N333 WeakPolarHBondContact CG-ND2 3.49Å; F161-N333 HydrophobicContact CZ-CB 4.3Å; F161-Y336 VanDerWaalsContact CE2-CB 3.41Å; F161-Y336 HydrophobicContact CE2-CD1 4.37Å; F161-Y336 HydrophobicContact CE2-CD2 4.21Å; F161-Y336 AromaticContact CE2-CG 3.76Å; F161-Y336 HydrophobicContact CE2-CG 3.76Å; F161-Y336 HydrophobicContact CZ-CG 4.44Å
162	K	98.1	Very high	97.1	Very high	13 Å²	13	41 Å²	41	6%	0.057	24%	0.238	C	C	.	.			trans	-129.9	70.6	176.2	-60.8	-173.6	74.1	-177.4	0	110.5	H158 S164 T172 K173 A174 D187 E241	H158-K162 VanDerWaalsContact O-CG 3.3Å; H158-K162 WeakPolarHBondContact O-CG 3.48Å; K162-S164 PolarHBondContact O-N 3.17Å; K162-T172 CarbonylContact O-C 3.36Å; K162-T172 WeakPolarHBondContact O-CA 3.42Å; K162-T172 PolarHBondContact O-OG1 3.25Å; K162-K173 HydrophobicContact CB-CB 4.11Å; K162-K173 PolarHBondContact O-N 3.4Å; K162-A174 HydrophobicContact CB-CB 4.02Å; K162-A174 HydrophobicContact CD-CB 4.04Å; K162-A174 HydrophobicContact CG-CB 4.01Å; K162-D187 IonicContact NZ-OD2 2.84Å; K162-D187 PolarHBondContact NZ-OD2 3.29Å; K162-E241 VanDerWaalsContact CE-OE2 3.28Å; K162-E241 WeakPolarHBondContact CE-OE2 3.2Å; K162-E241 IonicContact NZ-OE1 2.89Å; K162-E241 IonicContact NZ-OE2 3.46Å; K162-E241 PolarHBondContact NZ-OE2 3.3Å
163	T	97.4	Very high	97.1	Very high	63 Å²	63	44.8 Å²	44.8	39%	0.387	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-55.1	131.7	179.3	-53.4	0	0	0	0	110.7	G165 F171	T163-G165 PolarHBondContact O-N 3.36Å; T163-F171 CarbonylContact C-O 3.51Å; T163-F171 WeakPolarHBondContact CA-O 3.29Å
164	S	96.6	Very high	97	Very high	8 Å²	8	44.7 Å²	44.7	6%	0.056	25%	0.254	C	S	.	.			trans	-81.3	98.8	-178.8	179.2	0	0	0	0	110.4	K162 K166 M167 G168 F171	K162-S164 PolarHBondContact O-N 3.17Å; S164-K166 PolarHBondContact O-N 2.99Å; S164-M167 PolarHBondContact O-N 2.86Å; S164-M167 VanDerWaalsContact O-N 3.07Å; S164-M167 VanDerWaalsContact OG-CE 3.32Å; S164-M167 WeakPolarHBondContact OG-CE 3.45Å; S164-M167 PolarHBondContact OG-N 3.45Å; S164-G168 PolarHBondContact O-N 3.48Å; S164-F171 PolarHBondContact N-O 3.41Å
165	G	93.3	Very high	97	Very high	79 Å²	79	49.3 Å²	49.3	81%	0.814	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.8	176	0	0	0	0	0	114.2	T163	T163-G165 PolarHBondContact O-N 3.36Å
166	K	95.4	Very high	96.9	Very high	209 Å²	209	51.4 Å²	51.4	91%	0.909	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-36.9	176.7	-176.2	-179.7	178.1	-177.2	0	113.2	S164	S164-K166 PolarHBondContact O-N 2.99Å
167	M	95.3	Very high	96.9	Very high	105 Å²	105	52.4 Å²	52.4	52%	0.517	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-16.1	-178.5	-65.8	-173.8	-79.3	0	0	112.4	S164 F171	S164-M167 PolarHBondContact O-N 2.86Å; S164-M167 VanDerWaalsContact O-N 3.07Å; S164-M167 VanDerWaalsContact OG-CE 3.32Å; S164-M167 WeakPolarHBondContact OG-CE 3.45Å; S164-M167 PolarHBondContact OG-N 3.45Å; M167-F171 HydrophobicContact CB-CB 3.64Å; M167-F171 HydrophobicContact CB-CD1 4.2Å; M167-F171 HydrophobicContact CB-CD2 3.72Å; M167-F171 HydrophobicContact CB-CE2 4.42Å; M167-F171 HydrophobicContact CB-CG 3.59Å; M167-F171 HydrophobicContact CE-CB 3.93Å; M167-F171 HydrophobicContact CE-CD1 4.44Å; M167-F171 HydrophobicContact CE-CG 4.48Å; M167-F171 HydrophobicContact CG-CG 4.49Å; M167-F171 WeakPolarHBondContact O-CD2 3.42Å; M167-F171 HydrophobicContact SD-CB 4.28Å; M167-F171 HydrophobicContact SD-CD1 3.96Å; M167-F171 HydrophobicContact SD-CG 4.22Å
168	G	93.9	Very high	96.9	Very high	21 Å²	21	52.5 Å²	52.5	22%	0.216	31%	0.308	C	S	.	.			trans	90.8	-178.7	-177.6	0	0	0	0	0	113.1	S164 F171	S164-G168 PolarHBondContact O-N 3.48Å; G168-F171 PolarHBondContact O-N 3.01Å
169	P	94.6	Very high	96.9	Very high	28 Å²	28	50.4 Å²	50.4	18%	0.182	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	146.7	175.7	-31.1	40.2	0	0	0	113.6	F171 E405 M409	P169-F171 VanDerWaalsContact C-N 3.31Å; P169-F171 PolarHBondContact O-N 3.05Å; P169-E405 HydrophobicContact CB-CG 3.66Å; P169-E405 HydrophobicContact CG-CG 3.82Å; P169-M409 HydrophobicContact CB-CG 3.76Å; P169-M409 HydrophobicContact CB-SD 3.55Å; P169-M409 VanDerWaalsContact CB-SD 3.55Å
170	G	93.1	Very high	96.9	Very high	48 Å²	48	51.9 Å²	51.9	50%	0.495	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-4.6	-178.7	0	0	0	0	0	116.3
171	F	97.3	Very high	96.9	Very high	112 Å²	112	51.5 Å²	51.5	49%	0.491	31%	0.305	S	S	.	.			trans	-108.9	141	172	-63.6	-88.4	0	0	0	111.3	T163 S164 M167 G168 P169	T163-F171 CarbonylContact C-O 3.51Å; T163-F171 WeakPolarHBondContact CA-O 3.29Å; S164-F171 PolarHBondContact N-O 3.41Å; M167-F171 HydrophobicContact CB-CB 3.64Å; M167-F171 HydrophobicContact CB-CD1 4.2Å; M167-F171 HydrophobicContact CB-CD2 3.72Å; M167-F171 HydrophobicContact CB-CE2 4.42Å; M167-F171 HydrophobicContact CB-CG 3.59Å; M167-F171 HydrophobicContact CE-CB 3.93Å; M167-F171 HydrophobicContact CE-CD1 4.44Å; M167-F171 HydrophobicContact CE-CG 4.48Å; M167-F171 HydrophobicContact CG-CG 4.49Å; M167-F171 WeakPolarHBondContact O-CD2 3.42Å; M167-F171 HydrophobicContact SD-CB 4.28Å; M167-F171 HydrophobicContact SD-CD1 3.96Å; M167-F171 HydrophobicContact SD-CG 4.22Å; G168-F171 PolarHBondContact O-N 3.01Å; P169-F171 VanDerWaalsContact C-N 3.31Å; P169-F171 PolarHBondContact O-N 3.05Å
172	T	98.1	Very high	96.9	Very high	33 Å²	33	50.5 Å²	50.5	20%	0.202	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-121	144.2	178.3	-175.4	0	0	0	0	111.3	K162 A174	K162-T172 CarbonylContact O-C 3.36Å; K162-T172 WeakPolarHBondContact O-CA 3.42Å; K162-T172 PolarHBondContact O-OG1 3.25Å; T172-A174 PolarHBondContact OG1-N 2.85Å
173	K	97.8	Very high	96.9	Very high	80 Å²	80	50 Å²	50	35%	0.348	30%	0.299	S	S	.	.	S	Bend	trans	-82.4	-21.2	166	-66.6	-178.2	63	-171.1	0	112.4	K162 L175 D187 E241	K162-K173 HydrophobicContact CB-CB 4.11Å; K162-K173 PolarHBondContact O-N 3.4Å; K173-L175 VanDerWaalsContact C-N 3.33Å; K173-L175 PolarHBondContact O-N 3.39Å; K173-D187 IonicContact NZ-OD2 2.83Å; K173-E241 IonicContact NZ-OE1 3.02Å; K173-E241 PolarHBondContact NZ-OE1 3.05Å
174	A	97.9	Very high	97	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.025	28%	0.283	C	S	.	.			trans	-81.9	76.6	-179.9	0	0	0	0	0	111	Q159 K162 T172 G176 H177	Q159-A174 VanDerWaalsContact O-CB 3.23Å; Q159-A174 WeakPolarHBondContact O-CB 3.45Å; K162-A174 HydrophobicContact CB-CB 4.02Å; K162-A174 HydrophobicContact CD-CB 4.04Å; K162-A174 HydrophobicContact CG-CB 4.01Å; T172-A174 PolarHBondContact OG1-N 2.85Å; A174-G176 PolarHBondContact O-N 3.24Å; A174-H177 PolarHBondContact O-N 2.95Å; A174-H177 VanDerWaalsContact O-N 3.17Å
175	L	98.1	Very high	97.1	Very high	134 Å²	134	47.2 Å²	47.2	70%	0.702	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.8	-174.4	-58.1	-178.4	0	0	0	113.8	K173 H177	K173-L175 VanDerWaalsContact C-N 3.33Å; K173-L175 PolarHBondContact O-N 3.39Å; L175-H177 PolarHBondContact O-CD2 3Å; L175-H177 VanDerWaalsContact O-CD2 3.31Å; L175-H177 PolarHBondContact O-N 3.34Å
176	G	97.3	Very high	97.4	Very high	45 Å²	45	43.7 Å²	43.7	46%	0.464	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.2	173.5	0	0	0	0	0	114.1	A174 G178	A174-G176 PolarHBondContact O-N 3.24Å; G176-G178 PolarHBondContact O-N 3.39Å; G176-G178 VanDerWaalsContact O-N 3.15Å
177	H	98.3	Very high	97.5	Very high	33 Å²	33	35.5 Å²	35.5	15%	0.153	21%	0.211	C	C	.	.			trans	50.7	35.5	177	-75.4	-74.9	0	0	0	114.9	A174 L175 N326 I328	A174-H177 PolarHBondContact O-N 2.95Å; A174-H177 VanDerWaalsContact O-N 3.17Å; L175-H177 PolarHBondContact O-CD2 3Å; L175-H177 VanDerWaalsContact O-CD2 3.31Å; L175-H177 PolarHBondContact O-N 3.34Å; H177-N326 PolarHBondContact O-ND2 3.41Å; H177-I328 HydrophobicContact CB-CG1 4.27Å; H177-I328 PolarHBondContact ND1-N 2.9Å
178	G	98.1	Very high	97.6	Very high	8 Å²	8	34.1 Å²	34.1	8%	0.082	21%	0.206	C	C	.	.	S	Bend	trans	174.8	-154.1	-179.8	0	0	0	0	0	112.5	G176 D180	G176-G178 PolarHBondContact O-N 3.39Å; G176-G178 VanDerWaalsContact O-N 3.15Å; G178-D180 PolarHBondContact O-N 2.88Å; G178-D180 VanDerWaalsContact O-N 3.09Å
179	V	98.6	Very high	97.8	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	22%	0.219	C	C	.	.	S	Bend	trans	-82.3	82.8	179.4	-169.9	0	0	0	0	109.9	F156 L181 I288 T291 I292 L485 N488	F156-V179 HydrophobicContact CE2-CG1 4.3Å; F156-V179 HydrophobicContact CE2-CG2 3.71Å; F156-V179 HydrophobicContact CZ-CG2 3.8Å; V179-L181 HydrophobicContact CG1-CD2 4.23Å; V179-I288 HydrophobicContact CG1-CG2 4.35Å; V179-T291 HydrophobicContact CG1-CG2 3.83Å; V179-I292 HydrophobicContact CB-CG1 4.31Å; V179-I292 HydrophobicContact CG1-CG1 4.17Å; V179-I292 HydrophobicContact CG2-CG1 4.38Å; V179-L485 HydrophobicContact CG2-CD2 4.06Å; V179-N488 PolarHBondContact O-ND2 3.34Å
180	D	98.4	Very high	98	Very high	34 Å²	34	43.4 Å²	43.4	18%	0.182	24%	0.244	C	C	.	.	S	Bend	trans	-108	-2.1	176.2	70.4	-11.1	0	0	0	113	G178 G182 R284	G178-D180 PolarHBondContact O-N 2.88Å; G178-D180 VanDerWaalsContact O-N 3.09Å; D180-G182 PolarHBondContact O-N 3.41Å; D180-G182 PolarHBondContact OD1-N 2.8Å; D180-R284 PolarHBondContact O-NE 2.76Å; D180-R284 PolarHBondContact O-NH2 3.24Å
181	L	98.8	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.			trans	57.6	28.1	-173.1	-59.4	-173.7	0	0	0	114.1	V179 H183 I184 Y185 L287 I288 T291	V179-L181 HydrophobicContact CG1-CD2 4.23Å; L181-H183 VanDerWaalsContact CD2-CE1 3.45Å; L181-H183 WeakPolarHBondContact CD2-CE1 3.43Å; L181-H183 PolarHBondContact O-N 3.46Å; L181-H183 VanDerWaalsContact O-N 3.16Å; L181-I184 HydrophobicContact CB-CD1 4.17Å; L181-I184 HydrophobicContact CD1-CD1 4.15Å; L181-I184 HydrophobicContact CD2-CD1 4.09Å; L181-I184 HydrophobicContact CG-CD1 4.35Å; L181-I184 PolarHBondContact O-N 3.02Å; L181-Y185 HydrophobicContact CB-CD2 3.55Å; L181-Y185 HydrophobicContact CB-CE2 3.45Å; L181-Y185 VanDerWaalsContact CB-CE2 3.45Å; L181-Y185 HydrophobicContact CD1-CE2 3.82Å; L181-Y185 HydrophobicContact CG-CE2 4.28Å; L181-Y185 WeakPolarHBondContact O-CD2 3.33Å; L181-Y185 PolarHBondContact O-N 3.42Å; L181-L287 HydrophobicContact CD1-CB 3.53Å; L181-I288 HydrophobicContact CD1-CG1 3.84Å; L181-I288 HydrophobicContact CG-CG1 3.75Å; L181-T291 HydrophobicContact CD2-CG2 4.2Å
182	G	98.6	Very high	98.3	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-22.3	177.5	0	0	0	0	0	113.9	D180 I184 G186	D180-G182 PolarHBondContact O-N 3.41Å; D180-G182 PolarHBondContact OD1-N 2.8Å; G182-I184 VanDerWaalsContact C-N 3.25Å; G182-I184 PolarHBondContact O-N 3.19Å; G182-G186 WeakPolarHBondContact CA-O 3.45Å; G182-G186 CarbonylContact O-C 3.58Å; G182-G186 VanDerWaalsContact O-C 3.23Å; G182-G186 WeakPolarHBondContact O-CA 3.43Å; G182-G186 PolarHBondContact O-N 3.49Å
183	H	98.8	Very high	98.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-20	169.7	64.8	-57.1	0	0	0	114.5	H155 Q159 L181 G239 Q240 F243	H155-H183 AromaticContact CE1-CD2 3.03Å; H155-H183 PolarHBondContact CE1-CD2 3.04Å; H155-H183 AromaticContact CE1-NE2 3.09Å; H155-H183 PolarHBondContact CE1-NE2 2.83Å; H155-H183 AromaticContact CG-CD2 3.99Å; H155-H183 AromaticContact ND1-CD2 3.34Å; H155-H183 PolarHBondContact ND1-CD2 3.02Å; H155-H183 VanDerWaalsContact ND1-CD2 3.34Å; H155-H183 AromaticContact ND1-NE2 3.29Å; H155-H183 PolarHBondContact ND1-NE2 2.77Å; H155-H183 AromaticContact NE2-CD2 3.52Å; H155-H183 PolarHBondContact O-CD2 2.7Å; H155-H183 VanDerWaalsContact O-CD2 3.31Å; Q159-H183 HydrophobicContact CB-CB 3.69Å; Q159-H183 VanDerWaalsContact CB-CG 3.45Å; Q159-H183 WeakPolarHBondContact CB-ND1 3.47Å; Q159-H183 VanDerWaalsContact CD-CE1 3.44Å; Q159-H183 PolarHBondContact NE2-CE1 3.19Å; Q159-H183 PolarHBondContact OE1-CE1 3.02Å; Q159-H183 PolarHBondContact OE1-ND1 2.73Å; L181-H183 VanDerWaalsContact CD2-CE1 3.45Å; L181-H183 WeakPolarHBondContact CD2-CE1 3.43Å; L181-H183 PolarHBondContact O-N 3.46Å; L181-H183 VanDerWaalsContact O-N 3.16Å; H183-G239 CarbonylContact O-C 3.48Å; H183-G239 VanDerWaalsContact O-CA 3.22Å; H183-G239 WeakPolarHBondContact O-CA 3.38Å; H183-G239 PolarHBondContact O-N 2.99Å; H183-Q240 HydrophobicContact CB-CB 3.96Å; H183-Q240 HydrophobicContact CB-CG 4.01Å; H183-Q240 PolarHBondContact O-N 2.97Å; H183-F243 HydrophobicContact CB-CE2 3.89Å; H183-F243 HydrophobicContact CB-CZ 3.82Å; H183-F243 AromaticContact CD2-CE2 3.98Å
184	I	98.9	Very high	98.4	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.062	21%	0.21	C	C	.	.	H	α-helix	trans	-96.5	-48.9	172.5	-61.6	161.6	0	0	0	109.6	L181 G182 L203 G239 W256	L181-I184 HydrophobicContact CB-CD1 4.17Å; L181-I184 HydrophobicContact CD1-CD1 4.15Å; L181-I184 HydrophobicContact CD2-CD1 4.09Å; L181-I184 HydrophobicContact CG-CD1 4.35Å; L181-I184 PolarHBondContact O-N 3.02Å; G182-I184 VanDerWaalsContact C-N 3.25Å; G182-I184 PolarHBondContact O-N 3.19Å; I184-L203 HydrophobicContact CG2-CD1 3.99Å; I184-G239 VanDerWaalsContact O-CA 3.3Å; I184-G239 WeakPolarHBondContact O-CA 3.3Å; I184-G239 PolarHBondContact O-N 2.81Å; I184-W256 HydrophobicContact CD1-CB 3.53Å; I184-W256 HydrophobicContact CD1-CD2 4.23Å; I184-W256 HydrophobicContact CD1-CG 3.74Å; I184-W256 HydrophobicContact CG1-CB 4.04Å
185	Y	98.8	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-95.6	-7.1	-169.5	-56.1	-65.9	0	0	0	115.3	L181 Q192 L203 H260 F280 R284 L287	L181-Y185 HydrophobicContact CB-CD2 3.55Å; L181-Y185 HydrophobicContact CB-CE2 3.45Å; L181-Y185 VanDerWaalsContact CB-CE2 3.45Å; L181-Y185 HydrophobicContact CD1-CE2 3.82Å; L181-Y185 HydrophobicContact CG-CE2 4.28Å; L181-Y185 WeakPolarHBondContact O-CD2 3.33Å; L181-Y185 PolarHBondContact O-N 3.42Å; Y185-Q192 WeakPolarHBondContact O-CA 3.43Å; Y185-Q192 WeakPolarHBondContact O-CB 3.05Å; Y185-L203 HydrophobicContact CD1-CD1 4.23Å; Y185-L203 HydrophobicContact CD1-CD2 4.21Å; Y185-L203 HydrophobicContact CE1-CD1 3.93Å; Y185-L203 HydrophobicContact CE1-CD2 4.47Å; Y185-L203 HydrophobicContact CE1-CG 4.44Å; Y185-H260 AromaticContact CE1-CE1 3.58Å; Y185-H260 AromaticContact CE1-ND1 3.33Å; Y185-H260 VanDerWaalsContact CE1-ND1 3.33Å; Y185-H260 WeakPolarHBondContact CE1-ND1 3.39Å; Y185-H260 AromaticContact CZ-ND1 3.53Å; Y185-H260 PolarHBondContact OH-ND1 3.43Å; Y185-F280 AromaticContact CD1-CE2 3.74Å; Y185-F280 HydrophobicContact CD1-CE2 3.74Å; Y185-F280 AromaticContact CD1-CZ 3.62Å; Y185-F280 HydrophobicContact CD1-CZ 3.62Å; Y185-F280 AromaticContact CE1-CE2 3.89Å; Y185-F280 HydrophobicContact CE1-CE2 3.89Å; Y185-F280 HydrophobicContact CE1-CZ 4.09Å; Y185-F280 HydrophobicContact CG-CZ 4.27Å; Y185-R284 HydrophobicContact CD2-CG 4Å; Y185-R284 HydrophobicContact CE2-CB 4.1Å; Y185-R284 HydrophobicContact CE2-CG 3.63Å; Y185-L287 WeakPolarHBondContact OH-CD2 3.32Å
186	G	98.4	Very high	98.5	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	18%	0.177	C	C	.	.			trans	92.7	154	-172.6	0	0	0	0	0	113.8	G182 N188	G182-G186 WeakPolarHBondContact CA-O 3.45Å; G182-G186 CarbonylContact O-C 3.58Å; G182-G186 VanDerWaalsContact O-C 3.23Å; G182-G186 WeakPolarHBondContact O-CA 3.43Å; G182-G186 PolarHBondContact O-N 3.49Å; G186-N188 VanDerWaalsContact C-N 3.32Å
187	D	97.6	Very high	98.6	Very high	37 Å²	37	34.8 Å²	34.8	20%	0.198	17%	0.172	C	C	.	.	S	Bend	trans	-87.6	0.4	179	62.8	2.7	0	0	0	113.8	K162 K173	K162-D187 IonicContact NZ-OD2 2.84Å; K162-D187 PolarHBondContact NZ-OD2 3.29Å; K173-D187 IonicContact NZ-OD2 2.83Å
188	N	98.4	Very high	98.6	Very high	76 Å²	76	38.3 Å²	38.3	41%	0.406	19%	0.187	S	C	.	.	S	Bend	trans	-148.3	158.4	177	67.1	79	0	0	0	110.6	G186 E190 R191 Q192	G186-N188 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 2.81Å; N188-E190 PolarHBondContact OD1-N 3.02Å; N188-R191 PolarHBondContact O-N 3.41Å; N188-R191 WeakPolarHBondContact OD1-CB 3.49Å; N188-R191 PolarHBondContact OD1-N 2.89Å; N188-Q192 PolarHBondContact O-N 2.68Å; N188-Q192 VanDerWaalsContact O-N 3.11Å
189	L	98.4	Very high	98.6	Very high	96 Å²	96	44.2 Å²	44.2	50%	0.503	21%	0.211	S	C	.	.	H	α-helix	trans	-67	-35.9	-172.8	-171.8	62.3	0	0	0	113	Q192 Y193	L189-Q192 WeakPolarHBondContact O-CB 3.25Å; L189-Q192 PolarHBondContact O-N 3.33Å; L189-Y193 HydrophobicContact CD1-CD1 3.97Å; L189-Y193 HydrophobicContact CD1-CE1 3.38Å; L189-Y193 HydrophobicContact CD1-CE2 4.46Å; L189-Y193 HydrophobicContact CD2-CE1 4.45Å; L189-Y193 HydrophobicContact CD2-CE2 4.19Å; L189-Y193 HydrophobicContact CG-CD1 4.26Å; L189-Y193 HydrophobicContact CG-CD2 4.45Å; L189-Y193 HydrophobicContact CG-CE1 3.81Å; L189-Y193 HydrophobicContact CG-CE2 3.99Å; L189-Y193 PolarHBondContact O-N 3.13Å
190	E	98.4	Very high	98.6	Very high	148 Å²	148	46.8 Å²	46.8	69%	0.692	22%	0.224	S	C	*	.	H	α-helix	trans	-61.7	-47.3	178.4	-179.1	177.4	-175.3	0	0	110.9	N188 Q192 Y193 Q194	N188-E190 PolarHBondContact O-N 2.81Å; N188-E190 PolarHBondContact OD1-N 3.02Å; E190-Q192 VanDerWaalsContact C-N 3.32Å; E190-Q192 PolarHBondContact O-N 3.1Å; E190-Y193 PolarHBondContact O-N 3.33Å; E190-Q194 WeakPolarHBondContact O-CG 3.37Å; E190-Q194 PolarHBondContact O-N 3.5Å
191	R	98.6	Very high	98.6	Very high	20 Å²	20	45.1 Å²	45.1	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-43.5	173.9	-172.8	176.9	-169.5	94.9	0.4	111.7	N188 Y193 Q194 L195 V222 L223 M224 V238 G239	N188-R191 PolarHBondContact O-N 3.41Å; N188-R191 WeakPolarHBondContact OD1-CB 3.49Å; N188-R191 PolarHBondContact OD1-N 2.89Å; R191-Y193 VanDerWaalsContact C-N 3.31Å; R191-Y193 PolarHBondContact O-N 2.96Å; R191-Q194 PolarHBondContact O-N 3.06Å; R191-L195 HydrophobicContact CG-CD1 4.06Å; R191-L195 WeakPolarHBondContact O-CG 3.29Å; R191-L195 PolarHBondContact O-N 2.93Å; R191-L195 VanDerWaalsContact O-N 3.13Å; R191-V222 HydrophobicContact CG-CB 4.24Å; R191-V222 HydrophobicContact CG-CG1 3.92Å; R191-L223 VanDerWaalsContact CZ-O 3.29Å; R191-L223 PolarHBondContact NH1-O 2.93Å; R191-L223 PolarHBondContact NH2-O 3.23Å; R191-M224 PolarHBondContact NH2-SD 3.35Å; R191-V238 PolarHBondContact NE-O 2.78Å; R191-V238 PolarHBondContact NH2-O 2.88Å; R191-G239 WeakPolarHBondContact CD-O 3.27Å; R191-G239 PolarHBondContact NE-O 2.79Å
192	Q	98.8	Very high	98.6	Very high	11 Å²	11	46.6 Å²	46.6	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-58.3	-44.4	177.1	-175.2	178.8	95.8	0	0	111.6	Y185 N188 L189 E190 Q194 L195 R196 F280	Y185-Q192 WeakPolarHBondContact O-CA 3.43Å; Y185-Q192 WeakPolarHBondContact O-CB 3.05Å; N188-Q192 PolarHBondContact O-N 2.68Å; N188-Q192 VanDerWaalsContact O-N 3.11Å; L189-Q192 WeakPolarHBondContact O-CB 3.25Å; L189-Q192 PolarHBondContact O-N 3.33Å; E190-Q192 VanDerWaalsContact C-N 3.32Å; E190-Q192 PolarHBondContact O-N 3.1Å; Q192-Q194 PolarHBondContact O-N 2.85Å; Q192-L195 PolarHBondContact O-N 3.04Å; Q192-R196 HydrophobicContact CG-CG 4.48Å; Q192-R196 VanDerWaalsContact O-CG 3.3Å; Q192-R196 WeakPolarHBondContact O-CG 2.99Å; Q192-R196 PolarHBondContact O-N 3.49Å; Q192-R196 VanDerWaalsContact O-N 3.08Å; Q192-F280 HydrophobicContact CG-CE1 4.12Å; Q192-F280 HydrophobicContact CG-CZ 3.74Å
193	Y	98.8	Very high	98.6	Very high	99 Å²	99	46.8 Å²	46.8	39%	0.388	22%	0.222	S	C	.	.	H	α-helix	trans	-64	-40.4	177.9	-72.3	-1.9	0	0	0	111.9	L189 E190 R191 L195 R196 F198	L189-Y193 HydrophobicContact CD1-CD1 3.97Å; L189-Y193 HydrophobicContact CD1-CE1 3.38Å; L189-Y193 HydrophobicContact CD1-CE2 4.46Å; L189-Y193 HydrophobicContact CD2-CE1 4.45Å; L189-Y193 HydrophobicContact CD2-CE2 4.19Å; L189-Y193 HydrophobicContact CG-CD1 4.26Å; L189-Y193 HydrophobicContact CG-CD2 4.45Å; L189-Y193 HydrophobicContact CG-CE1 3.81Å; L189-Y193 HydrophobicContact CG-CE2 3.99Å; L189-Y193 PolarHBondContact O-N 3.13Å; E190-Y193 PolarHBondContact O-N 3.33Å; R191-Y193 VanDerWaalsContact C-N 3.31Å; R191-Y193 PolarHBondContact O-N 2.96Å; Y193-L195 PolarHBondContact O-N 3.39Å; Y193-R196 PolarHBondContact O-N 3.28Å; Y193-F198 HydrophobicContact CD1-CE1 4.18Å; Y193-F198 AromaticContact CD1-CZ 3.72Å; Y193-F198 HydrophobicContact CD1-CZ 3.72Å; Y193-F198 HydrophobicContact CD2-CZ 4.4Å; Y193-F198 HydrophobicContact CE1-CE1 4.49Å; Y193-F198 HydrophobicContact CE1-CZ 4.4Å; Y193-F198 AromaticContact CG-CZ 3.7Å; Y193-F198 HydrophobicContact CG-CZ 3.7Å; Y193-F198 WeakPolarHBondContact O-CE2 3.4Å
194	Q	98.8	Very high	98.7	Very high	67 Å²	67	48.9 Å²	48.9	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-64.6	-29.4	177	-68.2	-58.2	-21.2	0	0	113.6	E190 R191 Q192 K204 V222	E190-Q194 WeakPolarHBondContact O-CG 3.37Å; E190-Q194 PolarHBondContact O-N 3.5Å; R191-Q194 PolarHBondContact O-N 3.06Å; Q192-Q194 PolarHBondContact O-N 2.85Å; Q194-K204 WeakPolarHBondContact O-CD 3.14Å; Q194-K204 WeakPolarHBondContact O-CE 3.07Å; Q194-K204 PolarHBondContact O-NZ 3.1Å; Q194-V222 HydrophobicContact CB-CG1 3.48Å; Q194-V222 VanDerWaalsContact CB-CG1 3.48Å; Q194-V222 HydrophobicContact CG-CG1 4.32Å
195	L	98.8	Very high	98.6	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-84.7	-19.1	178.3	-66.7	170.8	0	0	0	113.4	R191 Q192 Y193 L203 K204 A220 V222 A237	R191-L195 HydrophobicContact CG-CD1 4.06Å; R191-L195 WeakPolarHBondContact O-CG 3.29Å; R191-L195 PolarHBondContact O-N 2.93Å; R191-L195 VanDerWaalsContact O-N 3.13Å; Q192-L195 PolarHBondContact O-N 3.04Å; Y193-L195 PolarHBondContact O-N 3.39Å; L195-L203 HydrophobicContact CB-CD2 4.31Å; L195-K204 PolarHBondContact O-N 3.19Å; L195-A220 HydrophobicContact CD2-CB 4.36Å; L195-V222 HydrophobicContact CD2-CG1 4.21Å; L195-V222 HydrophobicContact CD2-CG2 4.2Å; L195-V222 HydrophobicContact CG-CG1 4.16Å; L195-A237 HydrophobicContact CD2-CB 4.31Å
196	R	98.8	Very high	98.6	Very high	1 Å²	1	54 Å²	54	0%	0.004	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-80.4	143.7	-179.2	-79.2	173.1	65.6	-176.9	-2.8	112.1	Q192 Y193 F198 L203 K204 D276 E277 F280	Q192-R196 HydrophobicContact CG-CG 4.48Å; Q192-R196 VanDerWaalsContact O-CG 3.3Å; Q192-R196 WeakPolarHBondContact O-CG 2.99Å; Q192-R196 PolarHBondContact O-N 3.49Å; Q192-R196 VanDerWaalsContact O-N 3.08Å; Y193-R196 PolarHBondContact O-N 3.28Å; R196-F198 VanDerWaalsContact C-N 3.32Å; R196-F198 HydrophobicContact CB-CD1 4.47Å; R196-F198 HydrophobicContact CB-CD2 4.15Å; R196-F198 HydrophobicContact CB-CE1 4.35Å; R196-F198 HydrophobicContact CB-CE2 4.04Å; R196-F198 HydrophobicContact CB-CG 4.39Å; R196-F198 HydrophobicContact CB-CZ 4.15Å; R196-L203 HydrophobicContact CG-CD2 4.15Å; R196-K204 VanDerWaalsContact O-CE 3.27Å; R196-K204 WeakPolarHBondContact O-CE 3.46Å; R196-K204 WeakPolarHBondContact O-CG 3.25Å; R196-D276 IonicContact CZ-OD2 3.59Å; R196-D276 IonicContact NH2-OD2 3.27Å; R196-D276 PolarHBondContact NH2-OD2 3.15Å; R196-E277 IonicContact CZ-OE2 3.52Å; R196-E277 IonicContact NH1-OE1 2.8Å; R196-E277 IonicContact NH1-OE2 2.67Å; R196-E277 PolarHBondContact NH1-OE2 3.12Å; R196-E277 IonicContact NH2-OE2 3.28Å; R196-E277 PolarHBondContact NH2-OE2 2.75Å; R196-F280 HydrophobicContact CG-CD2 3.87Å; R196-F280 HydrophobicContact CG-CE2 3.56Å; R196-F280 HydrophobicContact CG-CZ 4.03Å
197	L	98.7	Very high	98.6	Very high	68 Å²	68	58 Å²	58	36%	0.356	28%	0.275	S	S	.	.			trans	-76.9	-24	172.8	-170.9	62.3	0	0	0	111.7	K199 K202 K204	L197-K199 HydrophobicContact CD2-CB 4.14Å; L197-K199 HydrophobicContact CG-CB 4.05Å; L197-K199 PolarHBondContact O-N 2.82Å; L197-K202 HydrophobicContact CB-CB 4.24Å; L197-K202 VanDerWaalsContact CB-O 3.31Å; L197-K202 WeakPolarHBondContact CB-O 3.44Å; L197-K202 HydrophobicContact CD2-CB 4.08Å; L197-K202 PolarHBondContact N-O 2.65Å; L197-K204 HydrophobicContact CB-CG 4.38Å; L197-K204 HydrophobicContact CD1-CG 4.18Å
198	F	98.8	Very high	98.6	Very high	107 Å²	107	58.9 Å²	58.9	47%	0.469	28%	0.279	S	S	.	.	S	Bend	trans	55.8	29.4	-170.9	-65.2	-73.5	0	0	0	113.7	Y193 R196 D276	Y193-F198 HydrophobicContact CD1-CE1 4.18Å; Y193-F198 AromaticContact CD1-CZ 3.72Å; Y193-F198 HydrophobicContact CD1-CZ 3.72Å; Y193-F198 HydrophobicContact CD2-CZ 4.4Å; Y193-F198 HydrophobicContact CE1-CE1 4.49Å; Y193-F198 HydrophobicContact CE1-CZ 4.4Å; Y193-F198 AromaticContact CG-CZ 3.7Å; Y193-F198 HydrophobicContact CG-CZ 3.7Å; Y193-F198 WeakPolarHBondContact O-CE2 3.4Å; R196-F198 VanDerWaalsContact C-N 3.32Å; R196-F198 HydrophobicContact CB-CD1 4.47Å; R196-F198 HydrophobicContact CB-CD2 4.15Å; R196-F198 HydrophobicContact CB-CE1 4.35Å; R196-F198 HydrophobicContact CB-CE2 4.04Å; R196-F198 HydrophobicContact CB-CG 4.39Å; R196-F198 HydrophobicContact CB-CZ 4.15Å; F198-D276 VanDerWaalsContact C-CG 3.43Å; F198-D276 WeakPolarHBondContact CA-OD1 3.32Å; F198-D276 WeakPolarHBondContact CA-OD2 3.35Å
199	K	98.8	Very high	98.5	Very high	132 Å²	132	62 Å²	62	57%	0.574	30%	0.296	S	S	*	.	S	Bend	trans	-138.7	128.7	172.9	-174.5	-179.8	175.7	-176.4	0	109.1	L197 G201 K202 D276	L197-K199 HydrophobicContact CD2-CB 4.14Å; L197-K199 HydrophobicContact CG-CB 4.05Å; L197-K199 PolarHBondContact O-N 2.82Å; K199-G201 PolarHBondContact O-N 3.07Å; K199-G201 VanDerWaalsContact O-N 3.08Å; K199-K202 WeakPolarHBondContact O-CB 3.24Å; K199-K202 PolarHBondContact O-N 3.44Å; K199-D276 WeakPolarHBondContact CA-OD1 3.46Å; K199-D276 PolarHBondContact N-OD1 3.32Å
200	D	98.7	Very high	98.3	Very high	56 Å²	56	60 Å²	60	30%	0.299	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	26.4	177.6	-55.9	-42.4	0	0	0	114.2	K202 C264 D276	D200-K202 PolarHBondContact O-N 3.02Å; D200-C264 WeakPolarHBondContact O-CB 3.45Å; D200-D276 PolarHBondContact N-OD1 3.47Å
201	G	98.8	Very high	98.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.1	-178.9	0	0	0	0	0	114.6	K199 H260 C264 D276 F280	K199-G201 PolarHBondContact O-N 3.07Å; K199-G201 VanDerWaalsContact O-N 3.08Å; G201-H260 PolarHBondContact O-NE2 2.94Å; G201-C264 VanDerWaalsContact C-SG 3.58Å; G201-C264 PolarHBondContact O-SG 3.39Å; G201-C264 VanDerWaalsContact O-SG 3.33Å; G201-D276 VanDerWaalsContact CA-O 3.26Å; G201-D276 WeakPolarHBondContact CA-O 3.35Å; G201-D276 WeakPolarHBondContact CA-OD1 3.23Å; G201-D276 PolarHBondContact N-OD1 3.07Å; G201-F280 WeakPolarHBondContact O-CB 3.5Å; G201-F280 WeakPolarHBondContact O-CD2 3.4Å
202	K	98.9	Very high	98.3	Very high	31 Å²	31	55.3 Å²	55.3	14%	0.135	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-78.6	159.3	-167.8	-67.8	-172.7	176.2	-173.1	0	113.8	L197 K199 D200 N261 C264 D265	L197-K202 HydrophobicContact CB-CB 4.24Å; L197-K202 VanDerWaalsContact CB-O 3.31Å; L197-K202 WeakPolarHBondContact CB-O 3.44Å; L197-K202 HydrophobicContact CD2-CB 4.08Å; L197-K202 PolarHBondContact N-O 2.65Å; K199-K202 WeakPolarHBondContact O-CB 3.24Å; K199-K202 PolarHBondContact O-N 3.44Å; D200-K202 PolarHBondContact O-N 3.02Å; K202-N261 WeakPolarHBondContact CA-OD1 3.33Å; K202-N261 VanDerWaalsContact CB-OD1 3.3Å; K202-N261 WeakPolarHBondContact CB-OD1 3.41Å; K202-N261 HydrophobicContact CD-CB 4.33Å; K202-N261 HydrophobicContact CG-CB 4.42Å; K202-C264 HydrophobicContact CG-CB 3.94Å; K202-D265 WeakPolarHBondContact CE-OD1 3.48Å; K202-D265 IonicContact NZ-OD1 2.7Å; K202-D265 PolarHBondContact NZ-OD1 2.95Å; K202-D265 IonicContact NZ-OD2 3.41Å; K202-D265 PolarHBondContact NZ-OD2 3.49Å
203	L	98.9	Very high	98.3	Very high	6 Å²	6	55 Å²	55	3%	0.031	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-84.5	150.6	162.9	-70.8	174.7	0	0	0	110.3	I184 Y185 L195 R196 L257 H260 N261 F280	I184-L203 HydrophobicContact CG2-CD1 3.99Å; Y185-L203 HydrophobicContact CD1-CD1 4.23Å; Y185-L203 HydrophobicContact CD1-CD2 4.21Å; Y185-L203 HydrophobicContact CE1-CD1 3.93Å; Y185-L203 HydrophobicContact CE1-CD2 4.47Å; Y185-L203 HydrophobicContact CE1-CG 4.44Å; L195-L203 HydrophobicContact CB-CD2 4.31Å; R196-L203 HydrophobicContact CG-CD2 4.15Å; L203-L257 HydrophobicContact CB-CD1 3.31Å; L203-L257 HydrophobicContact CD1-CD1 3.67Å; L203-L257 HydrophobicContact CG-CD1 4.13Å; L203-H260 HydrophobicContact CD1-CB 4.25Å; L203-N261 PolarHBondContact N-OD1 3.03Å; L203-N261 PolarHBondContact O-ND2 3.49Å; L203-F280 HydrophobicContact CD2-CE2 3.96Å
204	K	98.9	Very high	98.3	Very high	46 Å²	46	50.3 Å²	50.3	20%	0.2	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-61.2	152.4	169.9	-71.1	177	-177.2	174	0	109.7	Q194 L195 R196 L197 P215 E219 A220	Q194-K204 WeakPolarHBondContact O-CD 3.14Å; Q194-K204 WeakPolarHBondContact O-CE 3.07Å; Q194-K204 PolarHBondContact O-NZ 3.1Å; L195-K204 PolarHBondContact O-N 3.19Å; R196-K204 VanDerWaalsContact O-CE 3.27Å; R196-K204 WeakPolarHBondContact O-CE 3.46Å; R196-K204 WeakPolarHBondContact O-CG 3.25Å; L197-K204 HydrophobicContact CB-CG 4.38Å; L197-K204 HydrophobicContact CD1-CG 4.18Å; K204-P215 HydrophobicContact CB-CB 4Å; K204-P215 HydrophobicContact CB-CG 3.83Å; K204-P215 WeakPolarHBondContact O-CD 3.49Å; K204-E219 PolarHBondContact NZ-O 2.86Å; K204-A220 HydrophobicContact CD-CB 4.1Å
205	Y	98.8	Very high	98.3	Very high	87 Å²	87	47.3 Å²	47.3	34%	0.341	25%	0.245	S	C	.	.			trans	-157.5	163.6	178.5	63.6	-86.2	0	0	0	108.8	V207 M212 Y213	Y205-V207 HydrophobicContact CD2-CG2 4.06Å; Y205-V207 HydrophobicContact CE2-CG2 3.81Å; Y205-M212 HydrophobicContact CD1-CE 4.28Å; Y205-M212 HydrophobicContact CD1-SD 4.45Å; Y205-M212 HydrophobicContact CD2-CE 4Å; Y205-M212 HydrophobicContact CD2-CG 3.73Å; Y205-M212 HydrophobicContact CD2-SD 4.31Å; Y205-M212 HydrophobicContact CE1-CE 4.34Å; Y205-M212 HydrophobicContact CE2-CE 4.05Å; Y205-M212 HydrophobicContact CG-CE 4.12Å; Y205-M212 HydrophobicContact CG-CG 3.83Å; Y205-M212 HydrophobicContact CG-SD 4.05Å; Y205-Y213 WeakPolarHBondContact CA-O 3.43Å; Y205-Y213 WeakPolarHBondContact CB-O 3.45Å
206	Q	98.5	Very high	98.3	Very high	32 Å²	32	47.2 Å²	47.2	15%	0.15	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	158.6	167.4	64.8	-174.7	-58.2	0	0	109.7	L208 Y213 P214	Q206-L208 HydrophobicContact CG-CD1 4.34Å; Q206-L208 HydrophobicContact CG-CG 4.2Å; Q206-Y213 PolarHBondContact N-O 3.07Å; Q206-Y213 PolarHBondContact O-N 3.41Å; Q206-P214 WeakPolarHBondContact CG-O 3.42Å; Q206-P214 PolarHBondContact NE2-O 3.23Å
207	V	98.3	Very high	98.2	Very high	90 Å²	90	48.2 Å²	48.2	55%	0.545	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.9	176	-178.4	0	0	0	0	108.8	Y205 E211	Y205-V207 HydrophobicContact CD2-CG2 4.06Å; Y205-V207 HydrophobicContact CE2-CG2 3.81Å; V207-E211 VanDerWaalsContact CA-O 3.28Å; V207-E211 WeakPolarHBondContact CA-O 3.49Å
208	L	97.1	Very high	98.2	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.288	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.2	177	-56.4	174.5	0	0	0	107.7	Q206 G210 E211 Y213 V366	Q206-L208 HydrophobicContact CG-CD1 4.34Å; Q206-L208 HydrophobicContact CG-CG 4.2Å; L208-G210 PolarHBondContact O-N 3.25Å; L208-E211 PolarHBondContact N-O 3.48Å; L208-E211 WeakPolarHBondContact O-CB 3.28Å; L208-E211 PolarHBondContact O-N 3.12Å; L208-Y213 HydrophobicContact CB-CD2 3.83Å; L208-Y213 HydrophobicContact CB-CE2 4.04Å; L208-Y213 HydrophobicContact CD1-CD2 4.18Å; L208-Y213 HydrophobicContact CG-CD2 4.22Å; L208-V366 HydrophobicContact CB-CG1 4.09Å; L208-V366 HydrophobicContact CD1-CG1 4.19Å; L208-V366 HydrophobicContact CD1-CG2 3.88Å
209	D	95.3	Very high	98.2	Very high	141 Å²	141	51.5 Å²	51.5	75%	0.754	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	34.1	-177.6	-56.9	-40.6	0	0	0	114.3	E211	D209-E211 VanDerWaalsContact C-N 3.3Å; D209-E211 PolarHBondContact O-N 2.87Å
210	G	95.7	Very high	98.1	Very high	54 Å²	54	45.2 Å²	45.2	56%	0.557	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	21.4	-179.2	0	0	0	0	0	114.3	L208 K524	L208-G210 PolarHBondContact O-N 3.25Å; G210-K524 PolarHBondContact O-NZ 3.49Å; G210-K524 VanDerWaalsContact O-NZ 3.12Å
211	E	97.5	Very high	98.1	Very high	25 Å²	25	46.3 Å²	46.3	12%	0.117	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.6	179.3	-75.4	-66.8	151	0	0	111.3	V207 L208 D209 Y213 R258 K524	V207-E211 VanDerWaalsContact CA-O 3.28Å; V207-E211 WeakPolarHBondContact CA-O 3.49Å; L208-E211 PolarHBondContact N-O 3.48Å; L208-E211 WeakPolarHBondContact O-CB 3.28Å; L208-E211 PolarHBondContact O-N 3.12Å; D209-E211 VanDerWaalsContact C-N 3.3Å; D209-E211 PolarHBondContact O-N 2.87Å; E211-Y213 HydrophobicContact CB-CD2 4.29Å; E211-Y213 HydrophobicContact CB-CE2 3.57Å; E211-Y213 WeakPolarHBondContact O-CD2 3.45Å; E211-R258 IonicContact OE2-CZ 2.64Å; E211-R258 IonicContact OE2-NH1 2.8Å; E211-R258 PolarHBondContact OE2-NH1 3.39Å; E211-R258 IonicContact OE2-NH2 3.2Å; E211-R258 PolarHBondContact OE2-NH2 2.76Å; E211-K524 WeakPolarHBondContact OE1-CD 3.28Å; E211-K524 WeakPolarHBondContact OE1-CE 3.28Å; E211-K524 WeakPolarHBondContact OE1-CG 3.3Å; E211-K524 IonicContact OE1-NZ 3.66Å; E211-K524 PolarHBondContact OE1-NZ 3.47Å
212	M	98.4	Very high	98	Very high	46 Å²	46	46.8 Å²	46.8	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.2	179.4	-177.4	-176	-65.8	0	0	111.3	Y205 T254 R258 N261	Y205-M212 HydrophobicContact CD1-CE 4.28Å; Y205-M212 HydrophobicContact CD1-SD 4.45Å; Y205-M212 HydrophobicContact CD2-CE 4Å; Y205-M212 HydrophobicContact CD2-CG 3.73Å; Y205-M212 HydrophobicContact CD2-SD 4.31Å; Y205-M212 HydrophobicContact CE1-CE 4.34Å; Y205-M212 HydrophobicContact CE2-CE 4.05Å; Y205-M212 HydrophobicContact CG-CE 4.12Å; Y205-M212 HydrophobicContact CG-CG 3.83Å; Y205-M212 HydrophobicContact CG-SD 4.05Å; M212-T254 WeakPolarHBondContact O-CG2 3.46Å; M212-R258 HydrophobicContact CB-CG 4.21Å; M212-R258 HydrophobicContact CG-CG 4.3Å; M212-R258 VanDerWaalsContact O-CZ 3.23Å; M212-R258 PolarHBondContact O-NE 3.03Å; M212-R258 PolarHBondContact O-NH2 3.04Å; M212-R258 HydrophobicContact SD-CG 4.02Å; M212-N261 HydrophobicContact CE-CB 4.49Å; M212-N261 HydrophobicContact SD-CB 4.37Å
213	Y	98.8	Very high	97.9	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	162.3	174.6	-67.8	-78.3	0	0	0	111.5	Y205 Q206 L208 E211 M236 T254 L365 V366 V370	Y205-Y213 WeakPolarHBondContact CA-O 3.43Å; Y205-Y213 WeakPolarHBondContact CB-O 3.45Å; Q206-Y213 PolarHBondContact N-O 3.07Å; Q206-Y213 PolarHBondContact O-N 3.41Å; L208-Y213 HydrophobicContact CB-CD2 3.83Å; L208-Y213 HydrophobicContact CB-CE2 4.04Å; L208-Y213 HydrophobicContact CD1-CD2 4.18Å; L208-Y213 HydrophobicContact CG-CD2 4.22Å; E211-Y213 HydrophobicContact CB-CD2 4.29Å; E211-Y213 HydrophobicContact CB-CE2 3.57Å; E211-Y213 WeakPolarHBondContact O-CD2 3.45Å; Y213-M236 HydrophobicContact CD1-CE 4.13Å; Y213-M236 HydrophobicContact CG-CE 4.14Å; Y213-T254 HydrophobicContact CD1-CG2 3.88Å; Y213-T254 HydrophobicContact CE1-CG2 4.34Å; Y213-L365 HydrophobicContact CD1-CD2 4.13Å; Y213-L365 HydrophobicContact CD1-CG 4.18Å; Y213-L365 HydrophobicContact CE1-CD1 4.23Å; Y213-L365 HydrophobicContact CE1-CD2 4.24Å; Y213-L365 HydrophobicContact CE1-CG 3.79Å; Y213-L365 PolarHBondContact OH-O 2.88Å; Y213-V366 HydrophobicContact CE1-CG2 4.45Å; Y213-V366 HydrophobicContact CE2-CG1 4.42Å; Y213-V366 HydrophobicContact CE2-CG2 4.41Å; Y213-V370 HydrophobicContact CE1-CG2 4.5Å
214	P	98.8	Very high	97.9	Very high	1 Å²	1	51 Å²	51	1%	0.006	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-54	145.2	171.4	-24.6	33.6	0	0	0	111.9	Q206 M236 V238 M250 T254 L257	Q206-P214 WeakPolarHBondContact CG-O 3.42Å; Q206-P214 PolarHBondContact NE2-O 3.23Å; P214-M236 HydrophobicContact CB-CB 4.19Å; P214-M236 HydrophobicContact CG-SD 4.35Å; P214-V238 HydrophobicContact CB-CG1 3.62Å; P214-V238 HydrophobicContact CG-CG1 3.78Å; P214-M250 HydrophobicContact CG-SD 4.08Å; P214-T254 WeakPolarHBondContact CD-OG1 3.35Å; P214-L257 VanDerWaalsContact CA-CD2 3.44Å; P214-L257 HydrophobicContact CB-CD2 4.12Å; P214-L257 HydrophobicContact CG-CD2 3.98Å
215	P	98.7	Very high	97.9	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.026	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.4	161.7	-177.4	31.3	-36.1	0	0	0	110.4	K204 E219 A220 M236 A237	K204-P215 HydrophobicContact CB-CB 4Å; K204-P215 HydrophobicContact CB-CG 3.83Å; K204-P215 WeakPolarHBondContact O-CD 3.49Å; P215-E219 HydrophobicContact CB-CB 4.42Å; P215-A220 HydrophobicContact CB-CB 4.12Å; P215-A220 HydrophobicContact CG-CB 3.73Å; P215-M236 WeakPolarHBondContact O-CA 3.39Å; P215-A237 HydrophobicContact CG-CB 4.34Å; P215-A237 PolarHBondContact O-N 2.72Å
216	S	98.5	Very high	97.8	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.035	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-73.9	161.5	172.7	71.8	0	0	0	0	111.1	E218 E219 A220 Q235	S216-E218 PolarHBondContact O-N 3.45Å; S216-E218 PolarHBondContact OG-N 2.95Å; S216-E219 PolarHBondContact O-N 3.17Å; S216-E219 PolarHBondContact OG-N 2.94Å; S216-A220 PolarHBondContact O-N 3.15Å; S216-Q235 CarbonylContact C-O 3.43Å; S216-Q235 VanDerWaalsContact CA-O 3.23Å; S216-Q235 WeakPolarHBondContact CA-O 3.29Å
217	V	98.4	Very high	97.8	Very high	23 Å²	23	51.6 Å²	51.6	14%	0.139	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.2	171.3	171.7	0	0	0	0	111.4	A220 P221 M224 P232 Q235 A237	V217-A220 CarbonylContact O-C 3.39Å; V217-P221 VanDerWaalsContact O-CA 3.29Å; V217-P221 WeakPolarHBondContact O-CA 3.19Å; V217-M224 HydrophobicContact CG2-CB 4.1Å; V217-M224 HydrophobicContact CG2-CG 3.64Å; V217-P232 HydrophobicContact CB-CB 4.32Å; V217-P232 HydrophobicContact CG1-CB 4.34Å; V217-P232 PolarHBondContact N-O 3.36Å; V217-Q235 HydrophobicContact CB-CB 4.12Å; V217-Q235 HydrophobicContact CG2-CB 3.6Å; V217-Q235 PolarHBondContact N-O 3Å; V217-A237 HydrophobicContact CG2-CB 4.07Å
218	E	97.8	Very high	97.6	Very high	136 Å²	136	59.8 Å²	59.8	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-41.8	172.9	-173.8	174	-164.3	0	0	112.1	S216 P232 Q233	S216-E218 PolarHBondContact O-N 3.45Å; S216-E218 PolarHBondContact OG-N 2.95Å; E218-P232 HydrophobicContact CB-CB 4.46Å; E218-Q233 WeakPolarHBondContact OE2-CB 3.5Å
219	E	97.9	Very high	97.4	Very high	108 Å²	108	61 Å²	61	51%	0.505	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-29.3	-179.8	-66.3	-177.9	167.2	0	0	113.8	K204 P215 S216	K204-E219 PolarHBondContact NZ-O 2.86Å; P215-E219 HydrophobicContact CB-CB 4.42Å; S216-E219 PolarHBondContact O-N 3.17Å; S216-E219 PolarHBondContact OG-N 2.94Å
220	A	98.2	Very high	97.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-126.5	86.5	177	0	0	0	0	0	109	L195 K204 P215 S216 V217 V222 A237	L195-A220 HydrophobicContact CD2-CB 4.36Å; K204-A220 HydrophobicContact CD-CB 4.1Å; P215-A220 HydrophobicContact CB-CB 4.12Å; P215-A220 HydrophobicContact CG-CB 3.73Å; S216-A220 PolarHBondContact O-N 3.15Å; V217-A220 CarbonylContact O-C 3.39Å; A220-V222 VanDerWaalsContact C-N 3.25Å; A220-V222 PolarHBondContact O-N 3.43Å; A220-A237 HydrophobicContact CB-CB 3.93Å
221	P	97.5	Very high	97.5	Very high	79 Å²	79	56 Å²	56	51%	0.513	29%	0.294	S	S	.	.			trans	-72.3	78.8	-171.9	29.8	-36.1	0	0	0	111.5	V217	V217-P221 VanDerWaalsContact O-CA 3.29Å; V217-P221 WeakPolarHBondContact O-CA 3.19Å
222	V	97.8	Very high	97.5	Very high	10 Å²	10	57.8 Å²	57.8	6%	0.061	31%	0.307	C	S	.	.			trans	-117	147.5	174.8	-57.5	0	0	0	0	109.8	R191 Q194 L195 A220 M224 A237	R191-V222 HydrophobicContact CG-CB 4.24Å; R191-V222 HydrophobicContact CG-CG1 3.92Å; Q194-V222 HydrophobicContact CB-CG1 3.48Å; Q194-V222 VanDerWaalsContact CB-CG1 3.48Å; Q194-V222 HydrophobicContact CG-CG1 4.32Å; L195-V222 HydrophobicContact CD2-CG1 4.21Å; L195-V222 HydrophobicContact CD2-CG2 4.2Å; L195-V222 HydrophobicContact CG-CG1 4.16Å; A220-V222 VanDerWaalsContact C-N 3.25Å; A220-V222 PolarHBondContact O-N 3.43Å; V222-M224 HydrophobicContact CG2-CG 4.26Å; V222-M224 HydrophobicContact CG2-SD 4.29Å; V222-M224 PolarHBondContact O-N 3.1Å; V222-A237 HydrophobicContact CG2-CB 3.65Å
223	L	97.3	Very high	97.4	Very high	112 Å²	112	60.6 Å²	60.6	59%	0.586	32%	0.32	S	S	*	.			trans	-62.7	121.8	175.5	178.1	65.4	0	0	0	110.4	R191 E241	R191-L223 VanDerWaalsContact CZ-O 3.29Å; R191-L223 PolarHBondContact NH1-O 2.93Å; R191-L223 PolarHBondContact NH2-O 3.23Å; L223-E241 WeakPolarHBondContact O-CB 3.5Å
224	M	98.3	Very high	97.3	Very high	14 Å²	14	63.2 Å²	63.2	7%	0.069	34%	0.339	C	S	.	.			trans	-122.7	142.2	168.9	-65.3	-60.5	-61.7	0	0	109.4	R191 V217 V222 Y226 M236 V238 Q240	R191-M224 PolarHBondContact NH2-SD 3.35Å; V217-M224 HydrophobicContact CG2-CB 4.1Å; V217-M224 HydrophobicContact CG2-CG 3.64Å; V222-M224 HydrophobicContact CG2-CG 4.26Å; V222-M224 HydrophobicContact CG2-SD 4.29Å; V222-M224 PolarHBondContact O-N 3.1Å; M224-Y226 HydrophobicContact CB-CD2 3.61Å; M224-Y226 HydrophobicContact CB-CE2 3.64Å; M224-Y226 HydrophobicContact CE-CE2 4.19Å; M224-Y226 HydrophobicContact CG-CE2 4.23Å; M224-Y226 PolarHBondContact O-N 3.19Å; M224-M236 WeakPolarHBondContact CE-O 3.26Å; M224-V238 HydrophobicContact CE-CG2 3.69Å; M224-V238 HydrophobicContact SD-CG2 4.32Å; M224-Q240 WeakPolarHBondContact CE-O 3.42Å
225	H	97.7	Very high	97.2	Very high	94 Å²	94	64.3 Å²	64.3	44%	0.435	34%	0.344	S	S	.	.			trans	-91.2	85.9	177.9	-67.5	178.7	0	0	0	109.8	E241	H225-E241 PolarHBondContact N-O 3.39Å
226	Y	97.8	Very high	97.2	Very high	33 Å²	33	64.9 Å²	64.9	13%	0.129	35%	0.347	C	S	.	.			trans	-108.4	156.4	169.2	-76	-89.1	0	0	0	111.1	M224 I230 Q235 M236 G244 M250 T362	M224-Y226 HydrophobicContact CB-CD2 3.61Å; M224-Y226 HydrophobicContact CB-CE2 3.64Å; M224-Y226 HydrophobicContact CE-CE2 4.19Å; M224-Y226 HydrophobicContact CG-CE2 4.23Å; M224-Y226 PolarHBondContact O-N 3.19Å; Y226-I230 HydrophobicContact CD1-CD1 4.1Å; Y226-Q235 HydrophobicContact CD1-CG 4.26Å; Y226-Q235 HydrophobicContact CD2-CB 3.74Å; Y226-Q235 HydrophobicContact CD2-CG 3.56Å; Y226-Q235 HydrophobicContact CE2-CB 3.6Å; Y226-Q235 HydrophobicContact CE2-CG 3.92Å; Y226-Q235 HydrophobicContact CG-CB 4.36Å; Y226-Q235 HydrophobicContact CG-CG 3.74Å; Y226-M236 PolarHBondContact OH-N 3.04Å; Y226-M236 PolarHBondContact OH-O 3.33Å; Y226-G244 VanDerWaalsContact CZ-CA 3.46Å; Y226-G244 WeakPolarHBondContact OH-CA 3.12Å; Y226-M250 WeakPolarHBondContact OH-CE 3.28Å; Y226-T362 HydrophobicContact CD1-CG2 4.2Å; Y226-T362 HydrophobicContact CE1-CG2 3.87Å
227	P	97.2	Very high	97.2	Very high	50 Å²	50	64.7 Å²	64.7	33%	0.325	35%	0.345	S	S	.	.			trans	-53.3	143.7	170.1	-27.3	34.7	0	0	0	112.2	G229 I230 F360	P227-G229 PolarHBondContact O-N 3.4Å; P227-I230 HydrophobicContact CB-CD1 4.33Å; P227-I230 HydrophobicContact CB-CG1 4.49Å; P227-I230 HydrophobicContact CG-CD1 4.18Å; P227-I230 PolarHBondContact O-N 3.07Å; P227-F360 HydrophobicContact CG-CB 3.89Å; P227-F360 HydrophobicContact CG-CD1 3.74Å; P227-F360 HydrophobicContact CG-CD2 3.75Å; P227-F360 HydrophobicContact CG-CE1 4.09Å; P227-F360 HydrophobicContact CG-CE2 4.11Å; P227-F360 HydrophobicContact CG-CG 3.53Å; P227-F360 HydrophobicContact CG-CZ 4.24Å
228	R	94.7	Very high	97.2	Very high	261 Å²	261	64 Å²	64	99%	0.985	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	129.6	176.1	-67.1	-175.6	-178.3	175.6	1.2	109.5
229	G	94.1	Very high	97.3	Very high	80 Å²	80	57.6 Å²	57.6	83%	0.825	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.3	-17.5	178.5	0	0	0	0	0	114.4	P227	P227-G229 PolarHBondContact O-N 3.4Å
230	I	96.3	Very high	97.3	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.205	29%	0.289	C	S	.	.			trans	-71.3	124.6	169.6	-57.2	-171.9	0	0	0	108	Y226 P227 Q235 T362	Y226-I230 HydrophobicContact CD1-CD1 4.1Å; P227-I230 HydrophobicContact CB-CD1 4.33Å; P227-I230 HydrophobicContact CB-CG1 4.49Å; P227-I230 HydrophobicContact CG-CD1 4.18Å; P227-I230 PolarHBondContact O-N 3.07Å; I230-Q235 HydrophobicContact CB-CG 4.45Å; I230-Q235 HydrophobicContact CG2-CG 3.74Å; I230-Q235 PolarHBondContact O-NE2 3.42Å; I230-T362 HydrophobicContact CD1-CG2 3.97Å; I230-T362 HydrophobicContact CG2-CG2 4.28Å
231	P	96.6	Very high	97.3	Very high	50 Å²	50	53.3 Å²	53.3	33%	0.325	29%	0.291	S	S	.	.			trans	-79.1	150.4	-174	36.1	-39.1	0	0	0	111.3	Q233 S234 Q235	P231-Q233 VanDerWaalsContact C-N 3.27Å; P231-Q233 HydrophobicContact CG-CG 4.46Å; P231-Q233 PolarHBondContact O-N 2.87Å; P231-Q233 VanDerWaalsContact O-N 3.16Å; P231-S234 PolarHBondContact O-N 2.91Å; P231-Q235 PolarHBondContact O-N 3.45Å
232	P	96.9	Very high	97.4	Very high	63 Å²	63	51.3 Å²	51.3	41%	0.409	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-55.7	-33.7	-173.2	-28	36.2	0	0	0	115.4	V217 E218 S234 Q235	V217-P232 HydrophobicContact CB-CB 4.32Å; V217-P232 HydrophobicContact CG1-CB 4.34Å; V217-P232 PolarHBondContact N-O 3.36Å; E218-P232 HydrophobicContact CB-CB 4.46Å; P232-S234 PolarHBondContact O-N 3.39Å; P232-Q235 PolarHBondContact O-N 3.46Å; P232-Q235 VanDerWaalsContact O-N 3.15Å
233	Q	96.2	Very high	97.4	Very high	105 Å²	105	50.9 Å²	50.9	49%	0.491	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-64.6	-24.4	176.2	64.5	-86.9	25.1	0	0	113.5	E218 P231	E218-Q233 WeakPolarHBondContact OE2-CB 3.5Å; P231-Q233 VanDerWaalsContact C-N 3.27Å; P231-Q233 HydrophobicContact CG-CG 4.46Å; P231-Q233 PolarHBondContact O-N 2.87Å; P231-Q233 VanDerWaalsContact O-N 3.16Å
234	S	96	Very high	97.4	Very high	59 Å²	59	45.9 Å²	45.9	41%	0.413	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-97.1	5.1	177.5	-55.6	0	0	0	0	112.8	P231 P232	P231-S234 PolarHBondContact O-N 2.91Å; P232-S234 PolarHBondContact O-N 3.39Å
235	Q	97.9	Very high	97.4	Very high	25 Å²	25	47.6 Å²	47.6	12%	0.117	26%	0.26	C	S	.	.	S	Bend	trans	-105	121	176.9	-63.4	178.8	27.9	0	0	109.3	S216 V217 Y226 I230 P231 P232	S216-Q235 CarbonylContact C-O 3.43Å; S216-Q235 VanDerWaalsContact CA-O 3.23Å; S216-Q235 WeakPolarHBondContact CA-O 3.29Å; V217-Q235 HydrophobicContact CB-CB 4.12Å; V217-Q235 HydrophobicContact CG2-CB 3.6Å; V217-Q235 PolarHBondContact N-O 3Å; Y226-Q235 HydrophobicContact CD1-CG 4.26Å; Y226-Q235 HydrophobicContact CD2-CB 3.74Å; Y226-Q235 HydrophobicContact CD2-CG 3.56Å; Y226-Q235 HydrophobicContact CE2-CB 3.6Å; Y226-Q235 HydrophobicContact CE2-CG 3.92Å; Y226-Q235 HydrophobicContact CG-CB 4.36Å; Y226-Q235 HydrophobicContact CG-CG 3.74Å; I230-Q235 HydrophobicContact CB-CG 4.45Å; I230-Q235 HydrophobicContact CG2-CG 3.74Å; I230-Q235 PolarHBondContact O-NE2 3.42Å; P231-Q235 PolarHBondContact O-N 3.45Å; P232-Q235 PolarHBondContact O-N 3.46Å; P232-Q235 VanDerWaalsContact O-N 3.15Å
236	M	98.6	Very high	97.5	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.079	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-78	132.8	172.1	-72.9	-178.7	-175.8	0	0	110.8	Y213 P214 P215 M224 Y226 M250 L365 V366	Y213-M236 HydrophobicContact CD1-CE 4.13Å; Y213-M236 HydrophobicContact CG-CE 4.14Å; P214-M236 HydrophobicContact CB-CB 4.19Å; P214-M236 HydrophobicContact CG-SD 4.35Å; P215-M236 WeakPolarHBondContact O-CA 3.39Å; M224-M236 WeakPolarHBondContact CE-O 3.26Å; Y226-M236 PolarHBondContact OH-N 3.04Å; Y226-M236 PolarHBondContact OH-O 3.33Å; M236-M250 HydrophobicContact CB-CE 3.81Å; M236-M250 HydrophobicContact CB-CG 4.45Å; M236-M250 HydrophobicContact CB-SD 3.74Å; M236-M250 HydrophobicContact SD-CG 3.63Å; M236-M250 HydrophobicContact SD-SD 4.02Å; M236-L365 HydrophobicContact CE-CD2 4.49Å; M236-L365 HydrophobicContact SD-CD2 4.16Å; M236-V366 HydrophobicContact CE-CG2 3.62Å
237	A	98.8	Very high	97.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	24%	0.236	C	C	.	.			trans	-97.6	120.5	179.4	0	0	0	0	0	111.3	L195 P215 V217 A220 V222	L195-A237 HydrophobicContact CD2-CB 4.31Å; P215-A237 HydrophobicContact CG-CB 4.34Å; P215-A237 PolarHBondContact O-N 2.72Å; V217-A237 HydrophobicContact CG2-CB 4.07Å; A220-A237 HydrophobicContact CB-CB 3.93Å; V222-A237 HydrophobicContact CG2-CB 3.65Å
238	V	98.8	Very high	97.6	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.055	22%	0.221	C	C	.	.			trans	-139.3	172.9	179.9	-64.5	0	0	0	0	111	R191 P214 M224 Q240 F243 M250 A253	R191-V238 PolarHBondContact NE-O 2.78Å; R191-V238 PolarHBondContact NH2-O 2.88Å; P214-V238 HydrophobicContact CB-CG1 3.62Å; P214-V238 HydrophobicContact CG-CG1 3.78Å; M224-V238 HydrophobicContact CE-CG2 3.69Å; M224-V238 HydrophobicContact SD-CG2 4.32Å; V238-Q240 VanDerWaalsContact C-N 3.34Å; V238-Q240 WeakPolarHBondContact CG2-O 3.43Å; V238-Q240 PolarHBondContact O-N 2.73Å; V238-F243 HydrophobicContact CG2-CB 3.84Å; V238-F243 HydrophobicContact CG2-CD2 4.21Å; V238-F243 HydrophobicContact CG2-CG 4.44Å; V238-M250 HydrophobicContact CG1-SD 3.74Å; V238-M250 HydrophobicContact CG2-CE 4.25Å; V238-M250 HydrophobicContact CG2-SD 4.4Å; V238-A253 HydrophobicContact CB-CB 4.37Å; V238-A253 HydrophobicContact CG1-CB 3.87Å
239	G	98.6	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-59.5	-38.5	-177.8	0	0	0	0	0	114.6	H183 I184 R191	H183-G239 CarbonylContact O-C 3.48Å; H183-G239 VanDerWaalsContact O-CA 3.22Å; H183-G239 WeakPolarHBondContact O-CA 3.38Å; H183-G239 PolarHBondContact O-N 2.99Å; I184-G239 VanDerWaalsContact O-CA 3.3Å; I184-G239 WeakPolarHBondContact O-CA 3.3Å; I184-G239 PolarHBondContact O-N 2.81Å; R191-G239 WeakPolarHBondContact CD-O 3.27Å; R191-G239 PolarHBondContact NE-O 2.79Å
240	Q	98.6	Very high	98	Very high	7 Å²	7	24 Å²	24	3%	0.033	14%	0.137	C	C	.	.	S	Bend	trans	-95.1	117.9	178.7	-138.5	-71	19.4	0	0	111	H158 H183 M224 V238 V242 F243	H158-Q240 HydrophobicContact CB-CG 4.44Å; H183-Q240 HydrophobicContact CB-CB 3.96Å; H183-Q240 HydrophobicContact CB-CG 4.01Å; H183-Q240 PolarHBondContact O-N 2.97Å; M224-Q240 WeakPolarHBondContact CE-O 3.42Å; V238-Q240 VanDerWaalsContact C-N 3.34Å; V238-Q240 WeakPolarHBondContact CG2-O 3.43Å; V238-Q240 PolarHBondContact O-N 2.73Å; Q240-V242 PolarHBondContact O-N 2.95Å; Q240-V242 VanDerWaalsContact O-N 3.12Å; Q240-V242 VanDerWaalsContact OE1-CG2 3.28Å; Q240-F243 HydrophobicContact CB-CD1 3.63Å; Q240-F243 HydrophobicContact CB-CD2 3.66Å; Q240-F243 HydrophobicContact CB-CE1 3.61Å; Q240-F243 HydrophobicContact CB-CE2 3.59Å; Q240-F243 HydrophobicContact CB-CG 3.69Å; Q240-F243 HydrophobicContact CB-CZ 3.59Å; Q240-F243 HydrophobicContact CG-CD1 3.93Å; Q240-F243 HydrophobicContact CG-CE1 3.55Å; Q240-F243 HydrophobicContact CG-CE2 4.28Å; Q240-F243 HydrophobicContact CG-CG 4.49Å; Q240-F243 HydrophobicContact CG-CZ 3.75Å; Q240-F243 PolarHBondContact O-N 3.48Å
241	E	98.4	Very high	98.1	Very high	11 Å²	11	22.1 Å²	22.1	5%	0.051	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.5	-176.7	61.7	-93.3	-138.2	0	0	116.2	K162 K173 L223 H225	K162-E241 VanDerWaalsContact CE-OE2 3.28Å; K162-E241 WeakPolarHBondContact CE-OE2 3.2Å; K162-E241 IonicContact NZ-OE1 2.89Å; K162-E241 IonicContact NZ-OE2 3.46Å; K162-E241 PolarHBondContact NZ-OE2 3.3Å; K173-E241 IonicContact NZ-OE1 3.02Å; K173-E241 PolarHBondContact NZ-OE1 3.05Å; L223-E241 WeakPolarHBondContact O-CB 3.5Å; H225-E241 PolarHBondContact N-O 3.39Å
242	V	98.4	Very high	98.2	Very high	38 Å²	38	19.8 Å²	19.8	23%	0.23	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-2.6	-175.9	-43.4	0	0	0	0	114.1	Q240 G244 L245	Q240-V242 PolarHBondContact O-N 2.95Å; Q240-V242 VanDerWaalsContact O-N 3.12Å; Q240-V242 VanDerWaalsContact OE1-CG2 3.28Å; V242-G244 PolarHBondContact O-N 3.45Å; V242-L245 WeakPolarHBondContact O-CB 3.27Å; V242-L245 PolarHBondContact O-N 2.89Å
243	F	98.6	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-68.6	-15.7	-174.5	-77.1	3.2	0	0	0	114.2	H155 H158 H183 V238 Q240 L245 L249 M250 A253	H155-F243 HydrophobicContact CB-CZ 4.49Å; H155-F243 AromaticContact CD2-CD2 3.88Å; H155-F243 AromaticContact CD2-CE2 3.19Å; H155-F243 WeakPolarHBondContact CD2-CE2 3.33Å; H155-F243 AromaticContact CD2-CZ 3.64Å; H155-F243 AromaticContact NE2-CE2 3.43Å; H155-F243 WeakPolarHBondContact NE2-CE2 3.48Å; H158-F243 HydrophobicContact CB-CE1 3.68Å; H158-F243 HydrophobicContact CB-CZ 4.1Å; H183-F243 HydrophobicContact CB-CE2 3.89Å; H183-F243 HydrophobicContact CB-CZ 3.82Å; H183-F243 AromaticContact CD2-CE2 3.98Å; V238-F243 HydrophobicContact CG2-CB 3.84Å; V238-F243 HydrophobicContact CG2-CD2 4.21Å; V238-F243 HydrophobicContact CG2-CG 4.44Å; Q240-F243 HydrophobicContact CB-CD1 3.63Å; Q240-F243 HydrophobicContact CB-CD2 3.66Å; Q240-F243 HydrophobicContact CB-CE1 3.61Å; Q240-F243 HydrophobicContact CB-CE2 3.59Å; Q240-F243 HydrophobicContact CB-CG 3.69Å; Q240-F243 HydrophobicContact CB-CZ 3.59Å; Q240-F243 HydrophobicContact CG-CD1 3.93Å; Q240-F243 HydrophobicContact CG-CE1 3.55Å; Q240-F243 HydrophobicContact CG-CE2 4.28Å; Q240-F243 HydrophobicContact CG-CG 4.49Å; Q240-F243 HydrophobicContact CG-CZ 3.75Å; Q240-F243 PolarHBondContact O-N 3.48Å; F243-L245 PolarHBondContact O-N 3.43Å; F243-L245 VanDerWaalsContact O-N 3.16Å; F243-L249 HydrophobicContact CB-CB 4.05Å; F243-L249 HydrophobicContact CD1-CB 4.07Å; F243-L249 HydrophobicContact CD1-CD1 3.81Å; F243-L249 HydrophobicContact CD1-CD2 4.42Å; F243-L249 HydrophobicContact CD1-CG 4.33Å; F243-L249 HydrophobicContact CE1-CD1 4.31Å; F243-L249 HydrophobicContact CE1-CD2 4.29Å; F243-L249 HydrophobicContact CG-CB 4Å; F243-M250 HydrophobicContact CB-CE 4.38Å; F243-A253 HydrophobicContact CD2-CB 4.22Å
244	G	98	Very high	98.4	Very high	7 Å²	7	12 Å²	12	7%	0.072	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-64.6	-8	167.2	0	0	0	0	0	114.8	Y226 V242	Y226-G244 VanDerWaalsContact CZ-CA 3.46Å; Y226-G244 WeakPolarHBondContact OH-CA 3.12Å; V242-G244 PolarHBondContact O-N 3.45Å
245	L	98.2	Very high	98.6	Very high	51 Å²	51	9.2 Å²	9.2	27%	0.267	5%	0.052	S	C	.	.	G	3₁₀ helix	trans	-67	-35.6	178.3	-178.8	66.3	0	0	0	113.1	V242 F243 L359 F360	V242-L245 WeakPolarHBondContact O-CB 3.27Å; V242-L245 PolarHBondContact O-N 2.89Å; F243-L245 PolarHBondContact O-N 3.43Å; F243-L245 VanDerWaalsContact O-N 3.16Å; L245-L359 HydrophobicContact CD1-CD2 3.99Å; L245-L359 HydrophobicContact CG-CD2 4.2Å; L245-F360 HydrophobicContact CB-CE1 4.21Å; L245-F360 HydrophobicContact CD1-CD1 4.09Å; L245-F360 HydrophobicContact CD1-CD2 4.17Å; L245-F360 HydrophobicContact CD1-CE1 3.47Å; L245-F360 VanDerWaalsContact CD1-CE1 3.47Å; L245-F360 HydrophobicContact CD1-CE2 3.55Å; L245-F360 HydrophobicContact CD1-CG 4.43Å; L245-F360 HydrophobicContact CD1-CZ 3.17Å; L245-F360 HydrophobicContact CG-CE1 4.45Å; L245-F360 HydrophobicContact CG-CZ 4.5Å; L245-F360 PolarHBondContact O-N 3.2Å
246	L	98.4	Very high	98.6	Very high	10 Å²	10	8.1 Å²	8.1	5%	0.052	5%	0.046	C	C	.	.			trans	-139.5	133.4	-171.3	-64.2	169.1	0	0	0	111.1	F151 Q154 G248 L249 M250 F358 L359	F151-L246 HydrophobicContact CE1-CD1 4.27Å; Q154-L246 VanDerWaalsContact OE1-CD1 3.24Å; L246-G248 PolarHBondContact O-N 3.42Å; L246-L249 HydrophobicContact CB-CB 4.43Å; L246-L249 HydrophobicContact CB-CD1 4.19Å; L246-L249 HydrophobicContact CB-CG 4.05Å; L246-L249 HydrophobicContact CD1-CD1 4.11Å; L246-L249 HydrophobicContact CD1-CG 4.31Å; L246-L249 HydrophobicContact CG-CD1 4.45Å; L246-L249 PolarHBondContact O-N 2.79Å; L246-M250 PolarHBondContact O-N 2.98Å; L246-F358 HydrophobicContact CB-CE1 4.25Å; L246-F358 HydrophobicContact CD2-CD1 3.68Å; L246-F358 HydrophobicContact CD2-CE1 3.71Å; L246-L359 HydrophobicContact CD2-CD2 3.45Å; L246-L359 VanDerWaalsContact CD2-CD2 3.45Å; L246-L359 HydrophobicContact CD2-CG 4.38Å; L246-L359 HydrophobicContact CG-CD2 4.42Å
247	P	98.4	Very high	98.7	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.019	5%	0.045	C	C	.	.	H	α-helix	trans	-52.4	-37.6	170.8	-29.2	35.2	0	0	0	113.3	L249 M250 L251 F358 N361 M364	P247-L249 VanDerWaalsContact C-N 3.32Å; P247-L249 PolarHBondContact O-N 3.3Å; P247-M250 PolarHBondContact O-N 3.16Å; P247-L251 WeakPolarHBondContact O-CB 3.1Å; P247-L251 PolarHBondContact O-N 3.43Å; P247-F358 HydrophobicContact CB-CE2 4.06Å; P247-F358 HydrophobicContact CB-CZ 4.04Å; P247-F358 WeakPolarHBondContact CD-O 3.28Å; P247-F358 HydrophobicContact CG-CD2 4.21Å; P247-F358 HydrophobicContact CG-CE1 4.45Å; P247-F358 HydrophobicContact CG-CE2 3.94Å; P247-F358 HydrophobicContact CG-CZ 4.08Å; P247-N361 HydrophobicContact CG-CB 4.12Å; P247-M364 HydrophobicContact CB-CB 4.41Å; P247-M364 HydrophobicContact CB-CG 4.38Å; P247-M364 HydrophobicContact CB-SD 3.93Å; P247-M364 HydrophobicContact CG-CB 4.14Å; P247-M364 HydrophobicContact CG-CG 4.39Å; P247-M364 HydrophobicContact CG-SD 3.77Å
248	G	98.6	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.4	-31.5	177.3	0	0	0	0	0	114.5	L246 Y252	L246-G248 PolarHBondContact O-N 3.42Å; G248-Y252 PolarHBondContact O-N 3.22Å
249	L	98.8	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-75.3	-42.3	174.8	-65.6	178.1	0	0	0	111.2	Q154 H155 F243 L246 P247 L251 Y252 A253	Q154-L249 HydrophobicContact CB-CD2 3.92Å; Q154-L249 HydrophobicContact CG-CD2 3.84Å; H155-L249 HydrophobicContact CB-CD2 3.95Å; F243-L249 HydrophobicContact CB-CB 4.05Å; F243-L249 HydrophobicContact CD1-CB 4.07Å; F243-L249 HydrophobicContact CD1-CD1 3.81Å; F243-L249 HydrophobicContact CD1-CD2 4.42Å; F243-L249 HydrophobicContact CD1-CG 4.33Å; F243-L249 HydrophobicContact CE1-CD1 4.31Å; F243-L249 HydrophobicContact CE1-CD2 4.29Å; F243-L249 HydrophobicContact CG-CB 4Å; L246-L249 HydrophobicContact CB-CB 4.43Å; L246-L249 HydrophobicContact CB-CD1 4.19Å; L246-L249 HydrophobicContact CB-CG 4.05Å; L246-L249 HydrophobicContact CD1-CD1 4.11Å; L246-L249 HydrophobicContact CD1-CG 4.31Å; L246-L249 HydrophobicContact CG-CD1 4.45Å; L246-L249 PolarHBondContact O-N 2.79Å; P247-L249 VanDerWaalsContact C-N 3.32Å; P247-L249 PolarHBondContact O-N 3.3Å; L249-L251 VanDerWaalsContact C-N 3.29Å; L249-L251 PolarHBondContact O-N 3.4Å; L249-Y252 PolarHBondContact O-N 2.76Å; L249-A253 PolarHBondContact O-N 2.81Å
250	M	98.8	Very high	98.7	Very high	10 Å²	10	8.1 Å²	8.1	5%	0.049	5%	0.045	C	C	.	.	H	α-helix	trans	-68.9	-29.3	177.3	-161.3	61.1	66.9	0	0	112.3	P214 Y226 M236 V238 F243 L246 P247 A253 T254 L365	P214-M250 HydrophobicContact CG-SD 4.08Å; Y226-M250 WeakPolarHBondContact OH-CE 3.28Å; M236-M250 HydrophobicContact CB-CE 3.81Å; M236-M250 HydrophobicContact CB-CG 4.45Å; M236-M250 HydrophobicContact CB-SD 3.74Å; M236-M250 HydrophobicContact SD-CG 3.63Å; M236-M250 HydrophobicContact SD-SD 4.02Å; V238-M250 HydrophobicContact CG1-SD 3.74Å; V238-M250 HydrophobicContact CG2-CE 4.25Å; V238-M250 HydrophobicContact CG2-SD 4.4Å; F243-M250 HydrophobicContact CB-CE 4.38Å; L246-M250 PolarHBondContact O-N 2.98Å; P247-M250 PolarHBondContact O-N 3.16Å; M250-A253 PolarHBondContact O-N 3.47Å; M250-A253 HydrophobicContact SD-CB 4.3Å; M250-T254 WeakPolarHBondContact O-CB 3.35Å; M250-T254 PolarHBondContact O-N 2.85Å; M250-T254 PolarHBondContact O-OG1 3.23Å; M250-L365 HydrophobicContact CB-CD2 3.88Å; M250-L365 HydrophobicContact CG-CD2 3.52Å
251	L	98.9	Very high	98.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.6	-54	171.2	177.4	69.2	0	0	0	111	P247 L249 T254 L255 L365 V370 L373 V374 F377	P247-L251 WeakPolarHBondContact O-CB 3.1Å; P247-L251 PolarHBondContact O-N 3.43Å; L249-L251 VanDerWaalsContact C-N 3.29Å; L249-L251 PolarHBondContact O-N 3.4Å; L251-T254 WeakPolarHBondContact O-CB 3.45Å; L251-T254 PolarHBondContact O-N 3.29Å; L251-L255 HydrophobicContact CG-CD1 4.46Å; L251-L255 PolarHBondContact O-N 3.39Å; L251-L365 HydrophobicContact CB-CD1 4.35Å; L251-L365 HydrophobicContact CD1-CD1 3.91Å; L251-V370 HydrophobicContact CD1-CB 4.08Å; L251-V370 HydrophobicContact CD1-CG1 3.79Å; L251-V370 HydrophobicContact CD1-CG2 4.15Å; L251-L373 HydrophobicContact CD1-CB 4.07Å; L251-L373 HydrophobicContact CD1-CD1 4.46Å; L251-L373 HydrophobicContact CD2-CB 4.08Å; L251-V374 HydrophobicContact CD1-CG2 4.25Å; L251-V374 HydrophobicContact CD2-CG2 4.06Å; L251-V374 HydrophobicContact CG-CG2 4.48Å; L251-F377 HydrophobicContact CD2-CD2 3.65Å; L251-F377 HydrophobicContact CD2-CE2 3.84Å
252	Y	98.9	Very high	98.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.6	-40.3	177.5	-87.1	-68.5	0	0	0	112.4	M148 F151 F152 H155 G248 L249 T254 L255 W256 L515	M148-Y252 HydrophobicContact CE-CE1 3.79Å; M148-Y252 HydrophobicContact CE-CE2 4.29Å; M148-Y252 VanDerWaalsContact CE-CZ 3.49Å; M148-Y252 WeakPolarHBondContact CE-OH 3.23Å; M148-Y252 VanDerWaalsContact CG-OH 3.26Å; M148-Y252 WeakPolarHBondContact CG-OH 3.3Å; M148-Y252 PolarHBondContact O-OH 3.46Å; M148-Y252 HydrophobicContact SD-CE2 4.02Å; M148-Y252 PolarHBondContact SD-OH 3.1Å; F151-Y252 HydrophobicContact CB-CD2 4.05Å; F151-Y252 HydrophobicContact CB-CE2 3.86Å; F152-Y252 HydrophobicContact CB-CE1 4.38Å; F152-Y252 HydrophobicContact CB-CE2 3.93Å; F152-Y252 WeakPolarHBondContact CB-OH 3.46Å; F152-Y252 HydrophobicContact CD2-CD1 4.31Å; F152-Y252 AromaticContact CD2-CE1 3.64Å; F152-Y252 HydrophobicContact CD2-CE1 3.64Å; F152-Y252 AromaticContact CD2-CZ 3.81Å; F152-Y252 HydrophobicContact CG-CE1 4.5Å; H155-Y252 HydrophobicContact CB-CD2 4.37Å; H155-Y252 HydrophobicContact CB-CG 4.35Å; H155-Y252 WeakPolarHBondContact CD2-CB 3.2Å; G248-Y252 PolarHBondContact O-N 3.22Å; L249-Y252 PolarHBondContact O-N 2.76Å; Y252-T254 PolarHBondContact O-N 3.28Å; Y252-L255 HydrophobicContact CD1-CD1 4.29Å; Y252-L255 HydrophobicContact CE1-CD1 4.49Å; Y252-L255 PolarHBondContact O-N 2.9Å; Y252-W256 PolarHBondContact O-N 3.05Å; Y252-L515 HydrophobicContact CE1-CD1 4.39Å
253	A	98.9	Very high	98.7	Very high	6 Å²	6	8.4 Å²	8.4	5%	0.05	4%	0.041	C	C	.	.	H	α-helix	trans	-60	-37.3	175.8	0	0	0	0	0	111.9	H155 V238 F243 L249 M250 L257	H155-A253 PolarHBondContact NE2-N 3.5Å; V238-A253 HydrophobicContact CB-CB 4.37Å; V238-A253 HydrophobicContact CG1-CB 3.87Å; F243-A253 HydrophobicContact CD2-CB 4.22Å; L249-A253 PolarHBondContact O-N 2.81Å; M250-A253 PolarHBondContact O-N 3.47Å; M250-A253 HydrophobicContact SD-CB 4.3Å; A253-L257 VanDerWaalsContact O-CB 3.26Å; A253-L257 WeakPolarHBondContact O-CB 3.18Å; A253-L257 PolarHBondContact O-N 3.27Å
254	T	98.9	Very high	98.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-67.4	-46.7	175	-58.1	0	0	0	0	111.8	M212 Y213 P214 M250 L251 Y252 W256 L257 R258 V370	M212-T254 WeakPolarHBondContact O-CG2 3.46Å; Y213-T254 HydrophobicContact CD1-CG2 3.88Å; Y213-T254 HydrophobicContact CE1-CG2 4.34Å; P214-T254 WeakPolarHBondContact CD-OG1 3.35Å; M250-T254 WeakPolarHBondContact O-CB 3.35Å; M250-T254 PolarHBondContact O-N 2.85Å; M250-T254 PolarHBondContact O-OG1 3.23Å; L251-T254 WeakPolarHBondContact O-CB 3.45Å; L251-T254 PolarHBondContact O-N 3.29Å; Y252-T254 PolarHBondContact O-N 3.28Å; T254-W256 PolarHBondContact O-N 2.67Å; T254-L257 WeakPolarHBondContact O-CB 3.35Å; T254-L257 PolarHBondContact O-N 2.8Å; T254-R258 VanDerWaalsContact O-CG 3.31Å; T254-R258 WeakPolarHBondContact O-CG 3.36Å; T254-R258 PolarHBondContact O-N 3.08Å; T254-V370 HydrophobicContact CG2-CG2 3.94Å
255	L	98.9	Very high	98.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58	-47.1	176.9	-77.2	169.4	0	0	0	111.9	M148 L251 Y252 R258 E259 V370 V374 V519 N522 T523	M148-L255 HydrophobicContact CE-CD1 4.3Å; L251-L255 HydrophobicContact CG-CD1 4.46Å; L251-L255 PolarHBondContact O-N 3.39Å; Y252-L255 HydrophobicContact CD1-CD1 4.29Å; Y252-L255 HydrophobicContact CE1-CD1 4.49Å; Y252-L255 PolarHBondContact O-N 2.9Å; L255-R258 PolarHBondContact O-N 3.2Å; L255-E259 WeakPolarHBondContact O-CB 3.2Å; L255-E259 PolarHBondContact O-N 3.19Å; L255-V370 HydrophobicContact CD2-CG1 3.57Å; L255-V370 HydrophobicContact CG-CG1 3.98Å; L255-V374 HydrophobicContact CD1-CG2 4.31Å; L255-V519 HydrophobicContact CD1-CG2 3.97Å; L255-V519 HydrophobicContact CD2-CG2 4.27Å; L255-N522 HydrophobicContact CD2-CB 4.47Å; L255-T523 HydrophobicContact CD2-CG2 4.48Å
256	W	98.9	Very high	98.8	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.008	6%	0.063	C	C	.	.	H	α-helix	trans	-70.9	-31.2	179.8	-74	114.8	0	0	0	113.6	H155 I184 Y252 T254 E259 H260 L287 E290 T291 I294 L518	H155-W256 AromaticContact CE1-CD1 3.34Å; H155-W256 AromaticContact CE1-NE1 3.76Å; I184-W256 HydrophobicContact CD1-CB 3.53Å; I184-W256 HydrophobicContact CD1-CD2 4.23Å; I184-W256 HydrophobicContact CD1-CG 3.74Å; I184-W256 HydrophobicContact CG1-CB 4.04Å; Y252-W256 PolarHBondContact O-N 3.05Å; T254-W256 PolarHBondContact O-N 2.67Å; W256-E259 HydrophobicContact CE3-CB 4.45Å; W256-E259 HydrophobicContact CE3-CG 4.46Å; W256-H260 WeakPolarHBondContact O-CB 3.44Å; W256-H260 PolarHBondContact O-N 3.4Å; W256-L287 HydrophobicContact CE3-CD2 4.1Å; W256-L287 HydrophobicContact CE3-CG 4.22Å; W256-L287 HydrophobicContact CZ3-CG 4.27Å; W256-E290 HydrophobicContact CZ3-CB 4.46Å; W256-T291 WeakPolarHBondContact CH2-OG1 3.47Å; W256-I294 HydrophobicContact CH2-CD1 4.22Å; W256-L518 HydrophobicContact CD2-CD1 4.18Å; W256-L518 HydrophobicContact CD2-CD2 4.26Å; W256-L518 HydrophobicContact CE3-CD1 3.83Å; W256-L518 HydrophobicContact CE3-CD2 4.46Å; W256-L518 HydrophobicContact CH2-CD1 4.22Å; W256-L518 HydrophobicContact CH2-CD2 3.73Å; W256-L518 HydrophobicContact CZ2-CD2 3.47Å; W256-L518 VanDerWaalsContact CZ2-CD2 3.47Å; W256-L518 HydrophobicContact CZ3-CD1 3.85Å; W256-L518 HydrophobicContact CZ3-CD2 4.22Å
257	L	98.9	Very high	98.8	Very high	10 Å²	10	12.3 Å²	12.3	5%	0.052	6%	0.06	C	C	.	.	H	α-helix	trans	-62.9	-47.1	170.8	170.7	65.9	0	0	0	111.3	L203 P214 A253 T254 E259 H260 N261	L203-L257 HydrophobicContact CB-CD1 3.31Å; L203-L257 HydrophobicContact CD1-CD1 3.67Å; L203-L257 HydrophobicContact CG-CD1 4.13Å; P214-L257 VanDerWaalsContact CA-CD2 3.44Å; P214-L257 HydrophobicContact CB-CD2 4.12Å; P214-L257 HydrophobicContact CG-CD2 3.98Å; A253-L257 VanDerWaalsContact O-CB 3.26Å; A253-L257 WeakPolarHBondContact O-CB 3.18Å; A253-L257 PolarHBondContact O-N 3.27Å; T254-L257 WeakPolarHBondContact O-CB 3.35Å; T254-L257 PolarHBondContact O-N 2.8Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-H260 PolarHBondContact O-N 2.89Å; L257-N261 PolarHBondContact O-N 3.01Å; L257-N261 VanDerWaalsContact O-N 3.07Å
258	R	98.9	Very high	98.8	Very high	15 Å²	15	15 Å²	15	6%	0.057	7%	0.072	C	C	.	.	H	α-helix	trans	-61.5	-45.5	177.2	-69.1	175.5	-177.4	-151.6	-2.8	110.6	E211 M212 T254 L255 H260 N261 R262 N522	E211-R258 IonicContact OE2-CZ 2.64Å; E211-R258 IonicContact OE2-NH1 2.8Å; E211-R258 PolarHBondContact OE2-NH1 3.39Å; E211-R258 IonicContact OE2-NH2 3.2Å; E211-R258 PolarHBondContact OE2-NH2 2.76Å; M212-R258 HydrophobicContact CB-CG 4.21Å; M212-R258 HydrophobicContact CG-CG 4.3Å; M212-R258 VanDerWaalsContact O-CZ 3.23Å; M212-R258 PolarHBondContact O-NE 3.03Å; M212-R258 PolarHBondContact O-NH2 3.04Å; M212-R258 HydrophobicContact SD-CG 4.02Å; T254-R258 VanDerWaalsContact O-CG 3.31Å; T254-R258 WeakPolarHBondContact O-CG 3.36Å; T254-R258 PolarHBondContact O-N 3.08Å; L255-R258 PolarHBondContact O-N 3.2Å; R258-H260 PolarHBondContact O-N 2.91Å; R258-N261 PolarHBondContact O-N 3.48Å; R258-R262 WeakPolarHBondContact O-CB 3.33Å; R258-R262 PolarHBondContact O-N 3.35Å; R258-N522 HydrophobicContact CB-CB 3.79Å; R258-N522 WeakPolarHBondContact CB-OD1 3.31Å; R258-N522 VanDerWaalsContact CD-O 3.23Å; R258-N522 WeakPolarHBondContact CD-O 3.29Å; R258-N522 PolarHBondContact NH1-O 3.49Å; R258-N522 PolarHBondContact O-OD1 3.38Å
259	E	98.9	Very high	98.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-60.9	-44	177.8	-178.2	56.4	-158.2	0	0	111.8	L255 W256 L257 N261 R262 V263 L287 L518 N522	L255-E259 WeakPolarHBondContact O-CB 3.2Å; L255-E259 PolarHBondContact O-N 3.19Å; W256-E259 HydrophobicContact CE3-CB 4.45Å; W256-E259 HydrophobicContact CE3-CG 4.46Å; L257-E259 VanDerWaalsContact C-N 3.35Å; E259-N261 PolarHBondContact O-N 3.18Å; E259-R262 PolarHBondContact O-N 3.41Å; E259-R262 IonicContact OE1-CZ 3.19Å; E259-R262 IonicContact OE1-NE 3.75Å; E259-R262 IonicContact OE1-NH2 2.74Å; E259-R262 PolarHBondContact OE1-NH2 3.38Å; E259-R262 IonicContact OE2-CZ 2.66Å; E259-R262 IonicContact OE2-NE 3.6Å; E259-R262 PolarHBondContact OE2-NE 3.15Å; E259-R262 IonicContact OE2-NH2 2.71Å; E259-R262 PolarHBondContact OE2-NH2 2.85Å; E259-V263 HydrophobicContact CG-CG2 4.41Å; E259-V263 WeakPolarHBondContact O-CB 3.35Å; E259-V263 WeakPolarHBondContact O-CG2 3.37Å; E259-V263 PolarHBondContact O-N 3.24Å; E259-V263 WeakPolarHBondContact OE1-CG2 3.33Å; E259-L287 HydrophobicContact CG-CD1 4.19Å; E259-L287 HydrophobicContact CG-CD2 4.45Å; E259-L287 HydrophobicContact CG-CG 4.22Å; E259-L518 HydrophobicContact CB-CD1 3.72Å; E259-L518 HydrophobicContact CG-CD1 3.88Å; E259-N522 WeakPolarHBondContact CA-OD1 3.5Å; E259-N522 PolarHBondContact N-OD1 3.32Å; E259-N522 VanDerWaalsContact N-OD1 3.16Å; E259-N522 PolarHBondContact OE2-ND2 3.12Å
260	H	98.9	Very high	98.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-55.8	-52.8	174.9	178.9	95.1	0	0	0	111.1	Y185 G201 L203 W256 L257 R258 R262 V263 C264 F280 T283 L287	Y185-H260 AromaticContact CE1-CE1 3.58Å; Y185-H260 AromaticContact CE1-ND1 3.33Å; Y185-H260 VanDerWaalsContact CE1-ND1 3.33Å; Y185-H260 WeakPolarHBondContact CE1-ND1 3.39Å; Y185-H260 AromaticContact CZ-ND1 3.53Å; Y185-H260 PolarHBondContact OH-ND1 3.43Å; G201-H260 PolarHBondContact O-NE2 2.94Å; L203-H260 HydrophobicContact CD1-CB 4.25Å; W256-H260 WeakPolarHBondContact O-CB 3.44Å; W256-H260 PolarHBondContact O-N 3.4Å; L257-H260 PolarHBondContact O-N 2.89Å; R258-H260 PolarHBondContact O-N 2.91Å; H260-R262 VanDerWaalsContact C-N 3.31Å; H260-R262 PolarHBondContact O-N 3.19Å; H260-V263 PolarHBondContact O-N 3Å; H260-C264 PolarHBondContact O-N 3.31Å; H260-C264 PolarHBondContact O-SG 2.97Å; H260-C264 VanDerWaalsContact O-SG 3.35Å; H260-F280 AromaticContact CE1-CD2 3.6Å; H260-F280 AromaticContact CE1-CE2 3.79Å; H260-F280 AromaticContact NE2-CD2 3.71Å; H260-T283 HydrophobicContact CB-CG2 4.25Å; H260-T283 WeakPolarHBondContact ND1-CG2 3.49Å; H260-T283 WeakPolarHBondContact O-CG2 3.48Å; H260-L287 HydrophobicContact CB-CD2 3.75Å
261	N	98.9	Very high	98.8	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.011	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-34.5	-177.7	-74.3	-10.3	0	0	0	112.2	K202 L203 M212 L257 R258 E259 C264 D265	K202-N261 WeakPolarHBondContact CA-OD1 3.33Å; K202-N261 VanDerWaalsContact CB-OD1 3.3Å; K202-N261 WeakPolarHBondContact CB-OD1 3.41Å; K202-N261 HydrophobicContact CD-CB 4.33Å; K202-N261 HydrophobicContact CG-CB 4.42Å; L203-N261 PolarHBondContact N-OD1 3.03Å; L203-N261 PolarHBondContact O-ND2 3.49Å; M212-N261 HydrophobicContact CE-CB 4.49Å; M212-N261 HydrophobicContact SD-CB 4.37Å; L257-N261 PolarHBondContact O-N 3.01Å; L257-N261 VanDerWaalsContact O-N 3.07Å; R258-N261 PolarHBondContact O-N 3.48Å; E259-N261 PolarHBondContact O-N 3.18Å; N261-C264 WeakPolarHBondContact O-CB 3.31Å; N261-C264 PolarHBondContact O-N 2.94Å; N261-D265 PolarHBondContact O-N 3.36Å; N261-D265 VanDerWaalsContact O-N 3.17Å
262	R	98.9	Very high	98.7	Very high	60 Å²	60	29.6 Å²	29.6	23%	0.226	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-45.5	174.4	-169.7	-169.7	74.4	77.2	3.5	111.7	R258 E259 H260 D265 L266	R258-R262 WeakPolarHBondContact O-CB 3.33Å; R258-R262 PolarHBondContact O-N 3.35Å; E259-R262 PolarHBondContact O-N 3.41Å; E259-R262 IonicContact OE1-CZ 3.19Å; E259-R262 IonicContact OE1-NE 3.75Å; E259-R262 IonicContact OE1-NH2 2.74Å; E259-R262 PolarHBondContact OE1-NH2 3.38Å; E259-R262 IonicContact OE2-CZ 2.66Å; E259-R262 IonicContact OE2-NE 3.6Å; E259-R262 PolarHBondContact OE2-NE 3.15Å; E259-R262 IonicContact OE2-NH2 2.71Å; E259-R262 PolarHBondContact OE2-NH2 2.85Å; H260-R262 VanDerWaalsContact C-N 3.31Å; H260-R262 PolarHBondContact O-N 3.19Å; R262-D265 WeakPolarHBondContact O-CB 3.23Å; R262-D265 PolarHBondContact O-N 3.17Å; R262-L266 PolarHBondContact O-N 3.09Å; R262-L266 VanDerWaalsContact O-N 3.14Å
263	V	98.9	Very high	98.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-37.1	177.4	172.4	0	0	0	0	111.2	E259 H260 D265 L266 L267 T283 I286 L287 I509	E259-V263 HydrophobicContact CG-CG2 4.41Å; E259-V263 WeakPolarHBondContact O-CB 3.35Å; E259-V263 WeakPolarHBondContact O-CG2 3.37Å; E259-V263 PolarHBondContact O-N 3.24Å; E259-V263 WeakPolarHBondContact OE1-CG2 3.33Å; H260-V263 PolarHBondContact O-N 3Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 PolarHBondContact O-N 3.13Å; V263-L266 PolarHBondContact O-N 3.07Å; V263-L267 HydrophobicContact CG1-CD1 4.23Å; V263-L267 HydrophobicContact CG1-CG 4.31Å; V263-L267 WeakPolarHBondContact O-CG 3.44Å; V263-L267 PolarHBondContact O-N 2.78Å; V263-T283 HydrophobicContact CB-CG2 3.9Å; V263-T283 HydrophobicContact CG1-CG2 3.84Å; V263-I286 HydrophobicContact CG1-CB 4.29Å; V263-I286 HydrophobicContact CG1-CD1 3.64Å; V263-I286 HydrophobicContact CG1-CG2 4.11Å; V263-L287 HydrophobicContact CB-CD1 4.23Å; V263-L287 HydrophobicContact CG1-CD1 4.45Å; V263-L287 HydrophobicContact CG2-CD1 3.99Å; V263-I509 HydrophobicContact CG2-CD1 4.32Å
264	C	98.9	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.2	-43.1	170.6	-75.6	0	0	0	0	112.2	D200 G201 K202 H260 N261 L267 K268 T283	D200-C264 WeakPolarHBondContact O-CB 3.45Å; G201-C264 VanDerWaalsContact C-SG 3.58Å; G201-C264 PolarHBondContact O-SG 3.39Å; G201-C264 VanDerWaalsContact O-SG 3.33Å; K202-C264 HydrophobicContact CG-CB 3.94Å; H260-C264 PolarHBondContact O-N 3.31Å; H260-C264 PolarHBondContact O-SG 2.97Å; H260-C264 VanDerWaalsContact O-SG 3.35Å; N261-C264 WeakPolarHBondContact O-CB 3.31Å; N261-C264 PolarHBondContact O-N 2.94Å; C264-L267 PolarHBondContact O-N 3.06Å; C264-K268 VanDerWaalsContact O-CB 3.29Å; C264-K268 WeakPolarHBondContact O-CB 3.35Å; C264-K268 PolarHBondContact O-N 3.26Å; C264-T283 PolarHBondContact SG-OG1 3.28Å
265	D	98.8	Very high	98.7	Very high	80 Å²	80	39.5 Å²	39.5	43%	0.428	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-42.5	177.5	-72.9	-35.3	0	0	0	112.1	K202 N261 R262 V263 K268 A269	K202-D265 WeakPolarHBondContact CE-OD1 3.48Å; K202-D265 IonicContact NZ-OD1 2.7Å; K202-D265 PolarHBondContact NZ-OD1 2.95Å; K202-D265 IonicContact NZ-OD2 3.41Å; K202-D265 PolarHBondContact NZ-OD2 3.49Å; N261-D265 PolarHBondContact O-N 3.36Å; N261-D265 VanDerWaalsContact O-N 3.17Å; R262-D265 WeakPolarHBondContact O-CB 3.23Å; R262-D265 PolarHBondContact O-N 3.17Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 PolarHBondContact O-N 3.13Å; D265-K268 PolarHBondContact O-N 3.07Å; D265-A269 WeakPolarHBondContact O-CB 3.26Å; D265-A269 PolarHBondContact O-N 2.73Å
266	L	98.7	Very high	98.7	Very high	68 Å²	68	41 Å²	41	36%	0.356	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-45.6	175.6	-66.1	179.3	0	0	0	112	R262 V263 K268 A269 E270 I509	R262-L266 PolarHBondContact O-N 3.09Å; R262-L266 VanDerWaalsContact O-N 3.14Å; V263-L266 PolarHBondContact O-N 3.07Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 3.24Å; L266-A269 PolarHBondContact O-N 2.97Å; L266-E270 PolarHBondContact O-N 3.14Å; L266-I509 HydrophobicContact CD1-CD1 3.81Å
267	L	98.8	Very high	98.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-35.9	177.7	-71.1	-179.4	0	0	0	112.1	V263 C264 A269 E270 H271 L279 T282 T283 I286	V263-L267 HydrophobicContact CG1-CD1 4.23Å; V263-L267 HydrophobicContact CG1-CG 4.31Å; V263-L267 WeakPolarHBondContact O-CG 3.44Å; V263-L267 PolarHBondContact O-N 2.78Å; C264-L267 PolarHBondContact O-N 3.06Å; L267-A269 VanDerWaalsContact C-N 3.35Å; L267-E270 PolarHBondContact O-N 3.4Å; L267-H271 WeakPolarHBondContact O-CA 3.46Å; L267-H271 WeakPolarHBondContact O-CB 3.38Å; L267-H271 PolarHBondContact O-N 2.76Å; L267-L279 HydrophobicContact CB-CD2 3.64Å; L267-T282 HydrophobicContact CD1-CG2 3.74Å; L267-T282 HydrophobicContact CD2-CG2 4.37Å; L267-T283 WeakPolarHBondContact CD1-OG1 3.47Å; L267-I286 HydrophobicContact CD1-CD1 3.94Å; L267-I286 HydrophobicContact CD2-CD1 4.09Å; L267-I286 HydrophobicContact CG-CD1 4.26Å
268	K	98.6	Very high	98.7	Very high	61 Å²	61	48.9 Å²	48.9	27%	0.265	27%	0.271	S	S	.	.	H	α-helix	trans	-68.3	-36	176.8	-175.7	53.3	163.3	178.6	0	111.9	C264 D265 L266 H271 P272 W274 L279	C264-K268 VanDerWaalsContact O-CB 3.29Å; C264-K268 WeakPolarHBondContact O-CB 3.35Å; C264-K268 PolarHBondContact O-N 3.26Å; D265-K268 PolarHBondContact O-N 3.07Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 3.24Å; K268-H271 CarbonylContact O-C 3.55Å; K268-P272 PolarHBondContact NZ-O 2.94Å; K268-P272 WeakPolarHBondContact O-CA 3.27Å; K268-W274 PolarHBondContact NZ-O 2.76Å; K268-L279 HydrophobicContact CB-CD1 4.42Å; K268-L279 HydrophobicContact CB-CD2 4.25Å; K268-L279 HydrophobicContact CD-CD1 3.94Å
269	A	98.5	Very high	98.7	Very high	79 Å²	79	48.2 Å²	48.2	65%	0.653	27%	0.268	S	S	*	.	H	α-helix	trans	-66.5	-44.7	174.3	0	0	0	0	0	111.8	D265 L266 L267	D265-A269 WeakPolarHBondContact O-CB 3.26Å; D265-A269 PolarHBondContact O-N 2.73Å; L266-A269 PolarHBondContact O-N 2.97Å; L267-A269 VanDerWaalsContact C-N 3.35Å
270	E	97.9	Very high	98.7	Very high	107 Å²	107	48.1 Å²	48.1	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-69.2	-37.2	177.6	-173.7	65.1	-165.5	0	0	112.1	L266 L267 P272 V505	L266-E270 PolarHBondContact O-N 3.14Å; L267-E270 PolarHBondContact O-N 3.4Å; E270-P272 WeakPolarHBondContact O-CD 3.37Å; E270-V505 HydrophobicContact CG-CG2 4.44Å
271	H	98.2	Very high	98.7	Very high	40 Å²	40	51.1 Å²	51.1	19%	0.185	28%	0.282	C	S	.	.			trans	-125.6	74.4	-176.5	-55.4	-77.3	0	0	0	112.5	L267 K268 T273 W274 G502	L267-H271 WeakPolarHBondContact O-CA 3.46Å; L267-H271 WeakPolarHBondContact O-CB 3.38Å; L267-H271 PolarHBondContact O-N 2.76Å; K268-H271 CarbonylContact O-C 3.55Å; H271-T273 PolarHBondContact O-N 2.95Å; H271-W274 HydrophobicContact CB-CB 4.08Å; H271-W274 HydrophobicContact CB-CD2 3.43Å; H271-W274 VanDerWaalsContact CB-CD2 3.43Å; H271-W274 HydrophobicContact CB-CE3 4.07Å; H271-W274 HydrophobicContact CB-CG 3.42Å; H271-W274 VanDerWaalsContact CB-CG 3.42Å; H271-W274 HydrophobicContact CB-CZ2 4.36Å; H271-W274 AromaticContact CD2-CE2 3.86Å; H271-W274 AromaticContact CD2-CH2 3.88Å; H271-W274 AromaticContact CD2-CZ2 3.76Å; H271-W274 AromaticContact CE1-CZ2 3.89Å; H271-W274 AromaticContact CG-CD2 3.7Å; H271-W274 AromaticContact CG-CE2 3.39Å; H271-W274 AromaticContact CG-CZ2 3.7Å; H271-W274 AromaticContact CG-NE1 3.63Å; H271-W274 AromaticContact ND1-CE2 3.64Å; H271-W274 AromaticContact ND1-CZ2 3.76Å; H271-W274 AromaticContact ND1-NE1 3.62Å; H271-W274 AromaticContact NE2-CZ2 3.87Å; H271-W274 WeakPolarHBondContact O-CB 3.4Å; H271-W274 PolarHBondContact O-N 3.41Å; H271-G502 PolarHBondContact NE2-O 3.47Å
272	P	98.4	Very high	98.7	Very high	89 Å²	89	51.6 Å²	51.6	58%	0.578	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.4	-177.1	-26.7	35.3	0	0	0	114.3	K268 E270	K268-P272 PolarHBondContact NZ-O 2.94Å; K268-P272 WeakPolarHBondContact O-CA 3.27Å; E270-P272 WeakPolarHBondContact O-CD 3.37Å
273	T	98.5	Very high	98.7	Very high	135 Å²	135	48.8 Å²	48.8	83%	0.828	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.6	-179.3	56.1	0	0	0	0	114	H271	H271-T273 PolarHBondContact O-N 2.95Å
274	W	98.6	Very high	98.7	Very high	36 Å²	36	51.3 Å²	51.3	14%	0.136	28%	0.284	C	S	.	.			trans	-70.6	136.9	178.7	-73.1	14	0	0	0	111.3	K268 H271 Q278 L279 T282 G502	K268-W274 PolarHBondContact NZ-O 2.76Å; H271-W274 HydrophobicContact CB-CB 4.08Å; H271-W274 HydrophobicContact CB-CD2 3.43Å; H271-W274 VanDerWaalsContact CB-CD2 3.43Å; H271-W274 HydrophobicContact CB-CE3 4.07Å; H271-W274 HydrophobicContact CB-CG 3.42Å; H271-W274 VanDerWaalsContact CB-CG 3.42Å; H271-W274 HydrophobicContact CB-CZ2 4.36Å; H271-W274 AromaticContact CD2-CE2 3.86Å; H271-W274 AromaticContact CD2-CH2 3.88Å; H271-W274 AromaticContact CD2-CZ2 3.76Å; H271-W274 AromaticContact CE1-CZ2 3.89Å; H271-W274 AromaticContact CG-CD2 3.7Å; H271-W274 AromaticContact CG-CE2 3.39Å; H271-W274 AromaticContact CG-CZ2 3.7Å; H271-W274 AromaticContact CG-NE1 3.63Å; H271-W274 AromaticContact ND1-CE2 3.64Å; H271-W274 AromaticContact ND1-CZ2 3.76Å; H271-W274 AromaticContact ND1-NE1 3.62Å; H271-W274 AromaticContact NE2-CZ2 3.87Å; H271-W274 WeakPolarHBondContact O-CB 3.4Å; H271-W274 PolarHBondContact O-N 3.41Å; W274-Q278 HydrophobicContact CD2-CG 3.86Å; W274-Q278 HydrophobicContact CE3-CG 3.78Å; W274-Q278 HydrophobicContact CG-CG 4.3Å; W274-Q278 HydrophobicContact CH2-CG 4.48Å; W274-Q278 VanDerWaalsContact CZ2-NE2 3.29Å; W274-Q278 HydrophobicContact CZ3-CG 4.1Å; W274-L279 HydrophobicContact CB-CD2 4.15Å; W274-L279 HydrophobicContact CB-CG 4.04Å; W274-L279 HydrophobicContact CE3-CD2 3.97Å; W274-L279 HydrophobicContact CE3-CG 4.46Å; W274-T282 HydrophobicContact CH2-CG2 4.15Å; W274-T282 HydrophobicContact CZ3-CG2 3.87Å; W274-T282 WeakPolarHBondContact CZ3-OG1 3.41Å; W274-G502 VanDerWaalsContact CH2-CA 3.47Å
275	G	98.6	Very high	98.7	Very high	44 Å²	44	53.5 Å²	53.5	45%	0.454	30%	0.295	S	S	.	.			trans	-82.8	170.8	173	0	0	0	0	0	112.5	E277 Q278 L279	G275-E277 PolarHBondContact O-N 3.36Å; G275-Q278 PolarHBondContact O-N 3.37Å; G275-L279 WeakPolarHBondContact O-CG 3.42Å; G275-L279 PolarHBondContact O-N 2.92Å; G275-L279 VanDerWaalsContact O-N 3.17Å
276	D	98.8	Very high	98.7	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.171	28%	0.275	C	S	.	.	H	α-helix	trans	-51.4	-49.6	-177.7	178.1	79.8	0	0	0	113.5	R196 F198 K199 D200 G201 Q278 L279 F280	R196-D276 IonicContact CZ-OD2 3.59Å; R196-D276 IonicContact NH2-OD2 3.27Å; R196-D276 PolarHBondContact NH2-OD2 3.15Å; F198-D276 VanDerWaalsContact C-CG 3.43Å; F198-D276 WeakPolarHBondContact CA-OD1 3.32Å; F198-D276 WeakPolarHBondContact CA-OD2 3.35Å; K199-D276 WeakPolarHBondContact CA-OD1 3.46Å; K199-D276 PolarHBondContact N-OD1 3.32Å; D200-D276 PolarHBondContact N-OD1 3.47Å; G201-D276 VanDerWaalsContact CA-O 3.26Å; G201-D276 WeakPolarHBondContact CA-O 3.35Å; G201-D276 WeakPolarHBondContact CA-OD1 3.23Å; G201-D276 PolarHBondContact N-OD1 3.07Å; D276-Q278 PolarHBondContact O-N 2.88Å; D276-L279 PolarHBondContact O-N 2.87Å; D276-F280 WeakPolarHBondContact O-CB 3.39Å; D276-F280 PolarHBondContact O-N 2.94Å
277	E	98.8	Very high	98.7	Very high	83 Å²	83	46.4 Å²	46.4	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-44	-176	-173.4	62.3	-148.2	0	0	112.4	R196 G275 F280 Q281	R196-E277 IonicContact CZ-OE2 3.52Å; R196-E277 IonicContact NH1-OE1 2.8Å; R196-E277 IonicContact NH1-OE2 2.67Å; R196-E277 PolarHBondContact NH1-OE2 3.12Å; R196-E277 IonicContact NH2-OE2 3.28Å; R196-E277 PolarHBondContact NH2-OE2 2.75Å; G275-E277 PolarHBondContact O-N 3.36Å; E277-F280 PolarHBondContact O-N 3.15Å; E277-Q281 HydrophobicContact CG-CG 4.47Å; E277-Q281 WeakPolarHBondContact O-CG 3.45Å; E277-Q281 PolarHBondContact O-N 3.32Å; E277-Q281 WeakPolarHBondContact OE1-CG 3.48Å; E277-Q281 PolarHBondContact OE1-NE2 2.81Å
278	Q	98.8	Very high	98.7	Very high	94 Å²	94	46.9 Å²	46.9	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-68.4	-38.6	-178.9	-173.6	173.9	-1.9	0	0	111.5	W274 G275 D276 T282	W274-Q278 HydrophobicContact CD2-CG 3.86Å; W274-Q278 HydrophobicContact CE3-CG 3.78Å; W274-Q278 HydrophobicContact CG-CG 4.3Å; W274-Q278 HydrophobicContact CH2-CG 4.48Å; W274-Q278 VanDerWaalsContact CZ2-NE2 3.29Å; W274-Q278 HydrophobicContact CZ3-CG 4.1Å; G275-Q278 PolarHBondContact O-N 3.37Å; D276-Q278 PolarHBondContact O-N 2.88Å; Q278-T282 VanDerWaalsContact O-CB 3.27Å; Q278-T282 WeakPolarHBondContact O-CB 3.45Å; Q278-T282 PolarHBondContact O-N 3.23Å; Q278-T282 PolarHBondContact O-OG1 3.07Å
279	L	98.9	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-51.7	173.2	-69.3	162.6	0	0	0	110.2	L267 K268 W274 G275 D276 Q281 T282 T283	L267-L279 HydrophobicContact CB-CD2 3.64Å; K268-L279 HydrophobicContact CB-CD1 4.42Å; K268-L279 HydrophobicContact CB-CD2 4.25Å; K268-L279 HydrophobicContact CD-CD1 3.94Å; W274-L279 HydrophobicContact CB-CD2 4.15Å; W274-L279 HydrophobicContact CB-CG 4.04Å; W274-L279 HydrophobicContact CE3-CD2 3.97Å; W274-L279 HydrophobicContact CE3-CG 4.46Å; G275-L279 WeakPolarHBondContact O-CG 3.42Å; G275-L279 PolarHBondContact O-N 2.92Å; G275-L279 VanDerWaalsContact O-N 3.17Å; D276-L279 PolarHBondContact O-N 2.87Å; L279-Q281 PolarHBondContact O-N 2.99Å; L279-T282 PolarHBondContact O-N 2.92Å; L279-T283 WeakPolarHBondContact O-CB 3.4Å; L279-T283 PolarHBondContact O-N 2.8Å; L279-T283 PolarHBondContact O-OG1 2.94Å
280	F	98.9	Very high	98.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.9	-49.6	-179.8	176.4	-96.1	0	0	0	112.3	Y185 Q192 R196 G201 L203 H260 D276 E277 R284	Y185-F280 AromaticContact CD1-CE2 3.74Å; Y185-F280 HydrophobicContact CD1-CE2 3.74Å; Y185-F280 AromaticContact CD1-CZ 3.62Å; Y185-F280 HydrophobicContact CD1-CZ 3.62Å; Y185-F280 AromaticContact CE1-CE2 3.89Å; Y185-F280 HydrophobicContact CE1-CE2 3.89Å; Y185-F280 HydrophobicContact CE1-CZ 4.09Å; Y185-F280 HydrophobicContact CG-CZ 4.27Å; Q192-F280 HydrophobicContact CG-CE1 4.12Å; Q192-F280 HydrophobicContact CG-CZ 3.74Å; R196-F280 HydrophobicContact CG-CD2 3.87Å; R196-F280 HydrophobicContact CG-CE2 3.56Å; R196-F280 HydrophobicContact CG-CZ 4.03Å; G201-F280 WeakPolarHBondContact O-CB 3.5Å; G201-F280 WeakPolarHBondContact O-CD2 3.4Å; L203-F280 HydrophobicContact CD2-CE2 3.96Å; H260-F280 AromaticContact CE1-CD2 3.6Å; H260-F280 AromaticContact CE1-CE2 3.79Å; H260-F280 AromaticContact NE2-CD2 3.71Å; D276-F280 WeakPolarHBondContact O-CB 3.39Å; D276-F280 PolarHBondContact O-N 2.94Å; E277-F280 PolarHBondContact O-N 3.15Å; F280-R284 WeakPolarHBondContact O-CB 3.29Å; F280-R284 PolarHBondContact O-N 3.43Å
281	Q	98.9	Very high	98.8	Very high	63 Å²	63	35.6 Å²	35.6	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-68.5	-39.8	-178	-63.4	-60.9	-17.1	0	0	111.9	E277 L279 R284 L285	E277-Q281 HydrophobicContact CG-CG 4.47Å; E277-Q281 WeakPolarHBondContact O-CG 3.45Å; E277-Q281 PolarHBondContact O-N 3.32Å; E277-Q281 WeakPolarHBondContact OE1-CG 3.48Å; E277-Q281 PolarHBondContact OE1-NE2 2.81Å; L279-Q281 PolarHBondContact O-N 2.99Å; Q281-R284 PolarHBondContact O-N 3.27Å; Q281-L285 WeakPolarHBondContact O-CG 3.21Å; Q281-L285 PolarHBondContact O-N 3.15Å
282	T	98.9	Very high	98.8	Very high	12 Å²	12	33.7 Å²	33.7	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-66.7	-45	177.9	-52.4	0	0	0	0	111	L267 W274 Q278 L279 R284 L285 I286 F501	L267-T282 HydrophobicContact CD1-CG2 3.74Å; L267-T282 HydrophobicContact CD2-CG2 4.37Å; W274-T282 HydrophobicContact CH2-CG2 4.15Å; W274-T282 HydrophobicContact CZ3-CG2 3.87Å; W274-T282 WeakPolarHBondContact CZ3-OG1 3.41Å; Q278-T282 VanDerWaalsContact O-CB 3.27Å; Q278-T282 WeakPolarHBondContact O-CB 3.45Å; Q278-T282 PolarHBondContact O-N 3.23Å; Q278-T282 PolarHBondContact O-OG1 3.07Å; L279-T282 PolarHBondContact O-N 2.92Å; T282-R284 VanDerWaalsContact C-N 3.3Å; T282-R284 PolarHBondContact O-N 3.37Å; T282-L285 PolarHBondContact O-N 3.25Å; T282-L285 VanDerWaalsContact O-N 3.13Å; T282-I286 HydrophobicContact CG2-CD1 4.34Å; T282-I286 WeakPolarHBondContact O-CG1 3.4Å; T282-I286 PolarHBondContact O-N 2.03Å; T282-F501 VanDerWaalsContact CG2-C 3.48Å
283	T	98.9	Very high	98.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.7	-44.8	173.5	-64.7	0	0	0	0	111	H260 V263 C264 L267 L279 L285 I286 L287	H260-T283 HydrophobicContact CB-CG2 4.25Å; H260-T283 WeakPolarHBondContact ND1-CG2 3.49Å; H260-T283 WeakPolarHBondContact O-CG2 3.48Å; V263-T283 HydrophobicContact CB-CG2 3.9Å; V263-T283 HydrophobicContact CG1-CG2 3.84Å; C264-T283 PolarHBondContact SG-OG1 3.28Å; L267-T283 WeakPolarHBondContact CD1-OG1 3.47Å; L279-T283 WeakPolarHBondContact O-CB 3.4Å; L279-T283 PolarHBondContact O-N 2.8Å; L279-T283 PolarHBondContact O-OG1 2.94Å; T283-L285 VanDerWaalsContact C-N 3.31Å; T283-L285 PolarHBondContact O-N 2.8Å; T283-I286 PolarHBondContact O-N 3.26Å; T283-L287 HydrophobicContact CG2-CD1 3.81Å; T283-L287 WeakPolarHBondContact O-CD1 3.45Å; T283-L287 PolarHBondContact O-N 3.08Å
284	R	98.9	Very high	98.8	Very high	53 Å²	53	23.9 Å²	23.9	20%	0.2	12%	0.123	C	C	.	.	H	α-helix	trans	-57.6	-42.9	176.2	175.8	174.6	-177.1	-160.6	4.3	112.2	D180 Y185 F280 Q281 T282 L287 I288	D180-R284 PolarHBondContact O-NE 2.76Å; D180-R284 PolarHBondContact O-NH2 3.24Å; Y185-R284 HydrophobicContact CD2-CG 4Å; Y185-R284 HydrophobicContact CE2-CB 4.1Å; Y185-R284 HydrophobicContact CE2-CG 3.63Å; F280-R284 WeakPolarHBondContact O-CB 3.29Å; F280-R284 PolarHBondContact O-N 3.43Å; Q281-R284 PolarHBondContact O-N 3.27Å; T282-R284 VanDerWaalsContact C-N 3.3Å; T282-R284 PolarHBondContact O-N 3.37Å; R284-L287 PolarHBondContact O-N 3.47Å; R284-I288 HydrophobicContact CG-CD1 4.1Å; R284-I288 VanDerWaalsContact O-CG1 3.26Å; R284-I288 WeakPolarHBondContact O-CG1 3.48Å; R284-I288 PolarHBondContact O-N 3.01Å
285	L	98.9	Very high	98.8	Very high	46 Å²	46	22.3 Å²	22.3	24%	0.241	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-40.5	177.3	-67.1	172.1	0	0	0	112	Q281 T282 T283 I288 G289 I490 T500 F501	Q281-L285 WeakPolarHBondContact O-CG 3.21Å; Q281-L285 PolarHBondContact O-N 3.15Å; T282-L285 PolarHBondContact O-N 3.25Å; T282-L285 VanDerWaalsContact O-N 3.13Å; T283-L285 VanDerWaalsContact C-N 3.31Å; T283-L285 PolarHBondContact O-N 2.8Å; L285-I288 PolarHBondContact O-N 2.85Å; L285-G289 PolarHBondContact O-N 3.48Å; L285-G289 VanDerWaalsContact O-N 3.12Å; L285-I490 HydrophobicContact CD2-CG2 3.93Å; L285-T500 HydrophobicContact CD1-CG2 3.89Å; L285-F501 HydrophobicContact CB-CD1 4.27Å; L285-F501 HydrophobicContact CB-CE1 4.25Å
286	I	98.9	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-53.7	174.6	-67.9	167.9	0	0	0	109.9	V263 L267 T282 T283 I288 G289 E290 F501 I509 V510	V263-I286 HydrophobicContact CG1-CB 4.29Å; V263-I286 HydrophobicContact CG1-CD1 3.64Å; V263-I286 HydrophobicContact CG1-CG2 4.11Å; L267-I286 HydrophobicContact CD1-CD1 3.94Å; L267-I286 HydrophobicContact CD2-CD1 4.09Å; L267-I286 HydrophobicContact CG-CD1 4.26Å; T282-I286 HydrophobicContact CG2-CD1 4.34Å; T282-I286 WeakPolarHBondContact O-CG1 3.4Å; T282-I286 PolarHBondContact O-N 2.03Å; T283-I286 PolarHBondContact O-N 3.26Å; I286-I288 VanDerWaalsContact C-N 3.27Å; I286-I288 PolarHBondContact O-N 3.26Å; I286-G289 CarbonylContact O-C 3.59Å; I286-G289 WeakPolarHBondContact O-CA 3.16Å; I286-G289 PolarHBondContact O-N 3.27Å; I286-E290 HydrophobicContact CG2-CG 4.21Å; I286-E290 WeakPolarHBondContact O-CG 3.25Å; I286-E290 PolarHBondContact O-N 2.7Å; I286-F501 HydrophobicContact CG1-CB 3.99Å; I286-F501 HydrophobicContact CG1-CD1 3.94Å; I286-F501 HydrophobicContact CG1-CG 4.44Å; I286-I509 HydrophobicContact CG2-CB 4.05Å; I286-I509 HydrophobicContact CG2-CG2 3.58Å; I286-V510 HydrophobicContact CB-CG2 4.31Å; I286-V510 HydrophobicContact CG2-CG2 4.02Å; I286-V510 WeakPolarHBondContact O-CG2 3.12Å
287	L	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-31.7	-178.2	-89	66.2	0	0	0	112.7	L181 Y185 W256 E259 H260 V263 T283 R284 G289 E290 T291	L181-L287 HydrophobicContact CD1-CB 3.53Å; Y185-L287 WeakPolarHBondContact OH-CD2 3.32Å; W256-L287 HydrophobicContact CE3-CD2 4.1Å; W256-L287 HydrophobicContact CE3-CG 4.22Å; W256-L287 HydrophobicContact CZ3-CG 4.27Å; E259-L287 HydrophobicContact CG-CD1 4.19Å; E259-L287 HydrophobicContact CG-CD2 4.45Å; E259-L287 HydrophobicContact CG-CG 4.22Å; H260-L287 HydrophobicContact CB-CD2 3.75Å; V263-L287 HydrophobicContact CB-CD1 4.23Å; V263-L287 HydrophobicContact CG1-CD1 4.45Å; V263-L287 HydrophobicContact CG2-CD1 3.99Å; T283-L287 HydrophobicContact CG2-CD1 3.81Å; T283-L287 WeakPolarHBondContact O-CD1 3.45Å; T283-L287 PolarHBondContact O-N 3.08Å; R284-L287 PolarHBondContact O-N 3.47Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-E290 WeakPolarHBondContact CD1-OE2 3.33Å; L287-T291 VanDerWaalsContact O-CB 3.31Å; L287-T291 WeakPolarHBondContact O-CB 3.46Å; L287-T291 PolarHBondContact O-N 3Å; L287-T291 PolarHBondContact O-OG1 2.86Å
288	I	98.9	Very high	98.6	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.051	10%	0.096	C	C	.	.	H	α-helix	trans	-61.2	-46	170.9	-69.6	163.4	0	0	0	109.6	V179 L181 R284 L285 I286 T291 I292 I490	V179-I288 HydrophobicContact CG1-CG2 4.35Å; L181-I288 HydrophobicContact CD1-CG1 3.84Å; L181-I288 HydrophobicContact CG-CG1 3.75Å; R284-I288 HydrophobicContact CG-CD1 4.1Å; R284-I288 VanDerWaalsContact O-CG1 3.26Å; R284-I288 WeakPolarHBondContact O-CG1 3.48Å; R284-I288 PolarHBondContact O-N 3.01Å; L285-I288 PolarHBondContact O-N 2.85Å; I286-I288 VanDerWaalsContact C-N 3.27Å; I286-I288 PolarHBondContact O-N 3.26Å; I288-T291 PolarHBondContact O-N 2.78Å; I288-I292 HydrophobicContact CG2-CD1 4.04Å; I288-I292 WeakPolarHBondContact O-CG1 3.42Å; I288-I292 PolarHBondContact O-N 2.7Å; I288-I490 HydrophobicContact CB-CD1 4.24Å; I288-I490 HydrophobicContact CG2-CD1 3.61Å; I288-I490 HydrophobicContact CG2-CG1 4.07Å; I288-I490 HydrophobicContact CG2-CG2 4.38Å
289	G	98.9	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.6	-47.8	176.2	0	0	0	0	0	113	L285 I286 L287 T291 I292 K293 I490	L285-G289 PolarHBondContact O-N 3.48Å; L285-G289 VanDerWaalsContact O-N 3.12Å; I286-G289 CarbonylContact O-C 3.59Å; I286-G289 WeakPolarHBondContact O-CA 3.16Å; I286-G289 PolarHBondContact O-N 3.27Å; L287-G289 VanDerWaalsContact C-N 3.33Å; G289-T291 VanDerWaalsContact C-N 3.32Å; G289-T291 PolarHBondContact O-N 3.14Å; G289-I292 PolarHBondContact O-N 3.37Å; G289-K293 WeakPolarHBondContact O-CB 3.47Å; G289-K293 PolarHBondContact O-N 2.74Å; G289-I490 VanDerWaalsContact CA-CD1 3.5Å
290	E	98.9	Very high	98.2	Very high	9 Å²	9	17.6 Å²	17.6	4%	0.042	9%	0.085	C	C	.	.	H	α-helix	trans	-59.2	-44.3	176.1	-62.7	-170.4	93.1	0	0	111.6	W256 I286 L287 K293 I294 I509 A513	W256-E290 HydrophobicContact CZ3-CB 4.46Å; I286-E290 HydrophobicContact CG2-CG 4.21Å; I286-E290 WeakPolarHBondContact O-CG 3.25Å; I286-E290 PolarHBondContact O-N 2.7Å; L287-E290 WeakPolarHBondContact CD1-OE2 3.33Å; E290-K293 PolarHBondContact O-N 2.69Å; E290-I294 WeakPolarHBondContact O-CG1 3.43Å; E290-I294 PolarHBondContact O-N 3.39Å; E290-I509 VanDerWaalsContact CD-CG2 3.43Å; E290-I509 HydrophobicContact CG-CG2 3.94Å; E290-I509 VanDerWaalsContact OE1-CG2 3.31Å; E290-I509 WeakPolarHBondContact OE1-CG2 3.41Å; E290-A513 HydrophobicContact CB-CB 3.71Å; E290-A513 HydrophobicContact CG-CB 3.71Å
291	T	98.9	Very high	97.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-59.4	-50.5	177.7	-61.3	0	0	0	0	110.8	F156 V179 L181 W256 L287 I288 G289 K293 I294 V295	F156-T291 HydrophobicContact CD2-CG2 3.85Å; F156-T291 HydrophobicContact CE2-CG2 3.77Å; V179-T291 HydrophobicContact CG1-CG2 3.83Å; L181-T291 HydrophobicContact CD2-CG2 4.2Å; W256-T291 WeakPolarHBondContact CH2-OG1 3.47Å; L287-T291 VanDerWaalsContact O-CB 3.31Å; L287-T291 WeakPolarHBondContact O-CB 3.46Å; L287-T291 PolarHBondContact O-N 3Å; L287-T291 PolarHBondContact O-OG1 2.86Å; I288-T291 PolarHBondContact O-N 2.78Å; G289-T291 VanDerWaalsContact C-N 3.32Å; G289-T291 PolarHBondContact O-N 3.14Å; T291-K293 VanDerWaalsContact C-N 3.3Å; T291-K293 PolarHBondContact O-N 2.85Å; T291-I294 PolarHBondContact O-N 3.37Å; T291-V295 HydrophobicContact CG2-CG2 4.24Å; T291-V295 WeakPolarHBondContact O-CB 3.35Å; T291-V295 WeakPolarHBondContact O-CG2 3.38Å; T291-V295 PolarHBondContact O-N 3.32Å
292	I	98.6	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-40.1	179.7	-66.6	173.7	0	0	0	110.8	V179 I288 G289 V295 I296 F312 L485 N488 I490	V179-I292 HydrophobicContact CB-CG1 4.31Å; V179-I292 HydrophobicContact CG1-CG1 4.17Å; V179-I292 HydrophobicContact CG2-CG1 4.38Å; I288-I292 HydrophobicContact CG2-CD1 4.04Å; I288-I292 WeakPolarHBondContact O-CG1 3.42Å; I288-I292 PolarHBondContact O-N 2.7Å; G289-I292 PolarHBondContact O-N 3.37Å; I292-V295 PolarHBondContact O-N 3.14Å; I292-I296 HydrophobicContact CG2-CD1 3.78Å; I292-I296 HydrophobicContact CG2-CG1 4.45Å; I292-I296 WeakPolarHBondContact O-CG1 3.44Å; I292-I296 PolarHBondContact O-N 3.15Å; I292-F312 HydrophobicContact CB-CE2 4.41Å; I292-F312 HydrophobicContact CB-CZ 4.25Å; I292-F312 HydrophobicContact CG2-CD2 3.72Å; I292-F312 HydrophobicContact CG2-CE1 4.29Å; I292-F312 HydrophobicContact CG2-CE2 3.4Å; I292-F312 HydrophobicContact CG2-CG 4.29Å; I292-F312 HydrophobicContact CG2-CZ 3.71Å; I292-L485 HydrophobicContact CG1-CD2 4.18Å; I292-L485 HydrophobicContact CG2-CB 4.27Å; I292-L485 HydrophobicContact CG2-CD2 4.29Å; I292-N488 HydrophobicContact CD1-CB 3.79Å; I292-I490 HydrophobicContact CD1-CD1 4.09Å; I292-I490 HydrophobicContact CD1-CG1 4.18Å
293	K	98.7	Very high	97	Very high	18 Å²	18	17.6 Å²	17.6	8%	0.078	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-55.1	177	-176.5	176.6	168.8	75.4	0	111.8	G289 E290 T291 V295 I296 E297 F312 V510 K511 A513	G289-K293 WeakPolarHBondContact O-CB 3.47Å; G289-K293 PolarHBondContact O-N 2.74Å; E290-K293 PolarHBondContact O-N 2.69Å; T291-K293 VanDerWaalsContact C-N 3.3Å; T291-K293 PolarHBondContact O-N 2.85Å; K293-V295 PolarHBondContact O-N 2.78Å; K293-I296 PolarHBondContact O-N 2.73Å; K293-E297 IonicContact NZ-OE1 2.73Å; K293-E297 PolarHBondContact NZ-OE1 2.92Å; K293-E297 IonicContact NZ-OE2 3.88Å; K293-E297 PolarHBondContact NZ-OE2 3.05Å; K293-E297 PolarHBondContact O-N 3.13Å; K293-F312 HydrophobicContact CB-CB 4.49Å; K293-F312 HydrophobicContact CB-CD1 3.73Å; K293-F312 HydrophobicContact CB-CE1 4.4Å; K293-F312 HydrophobicContact CB-CG 4.45Å; K293-F312 HydrophobicContact CG-CB 4.39Å; K293-F312 HydrophobicContact CG-CD1 4.22Å; K293-V510 WeakPolarHBondContact CD-O 3.07Å; K293-K511 WeakPolarHBondContact CD-O 3.46Å; K293-K511 WeakPolarHBondContact CE-O 3.23Å; K293-K511 PolarHBondContact NZ-O 3.39Å; K293-A513 HydrophobicContact CD-CB 4.08Å; K293-A513 WeakPolarHBondContact CD-O 3.25Å; K293-A513 WeakPolarHBondContact CE-O 3.19Å
294	I	98.8	Very high	96.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-38.9	179.7	-66.6	169.7	0	0	0	110	F152 W256 E290 T291 E298 Y299 A513 L515 L518 F531	F152-I294 HydrophobicContact CE2-CG2 4.28Å; F152-I294 HydrophobicContact CZ-CG2 4.09Å; W256-I294 HydrophobicContact CH2-CD1 4.22Å; E290-I294 WeakPolarHBondContact O-CG1 3.43Å; E290-I294 PolarHBondContact O-N 3.39Å; T291-I294 PolarHBondContact O-N 3.37Å; I294-E298 WeakPolarHBondContact O-CB 3.33Å; I294-E298 PolarHBondContact O-N 3.26Å; I294-Y299 PolarHBondContact O-N 3.15Å; I294-A513 HydrophobicContact CD1-CB 4.44Å; I294-A513 HydrophobicContact CG1-CB 4.34Å; I294-L515 HydrophobicContact CG2-CB 4.27Å; I294-L518 HydrophobicContact CD1-CB 4.32Å; I294-L518 HydrophobicContact CD1-CD2 4.29Å; I294-F531 HydrophobicContact CG2-CE2 4.34Å
295	V	98.6	Very high	95.3	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.104	C	C	.	.	I	π-helix	trans	-62.8	-48.3	178	173.7	0	0	0	0	111.3	F152 F156 T291 I292 K293 Y299 V300 L485	F152-V295 HydrophobicContact CE1-CG2 3.83Å; F152-V295 HydrophobicContact CZ-CG2 3.8Å; F156-V295 HydrophobicContact CD1-CG2 4.44Å; F156-V295 HydrophobicContact CD2-CG2 3.91Å; F156-V295 HydrophobicContact CE1-CG1 4.27Å; F156-V295 HydrophobicContact CE1-CG2 4.2Å; F156-V295 HydrophobicContact CE2-CG2 3.66Å; F156-V295 HydrophobicContact CG-CG2 4.32Å; F156-V295 HydrophobicContact CZ-CG1 4.2Å; F156-V295 HydrophobicContact CZ-CG2 3.82Å; T291-V295 HydrophobicContact CG2-CG2 4.24Å; T291-V295 WeakPolarHBondContact O-CB 3.35Å; T291-V295 WeakPolarHBondContact O-CG2 3.38Å; T291-V295 PolarHBondContact O-N 3.32Å; I292-V295 PolarHBondContact O-N 3.14Å; K293-V295 PolarHBondContact O-N 2.78Å; V295-Y299 HydrophobicContact CG1-CD1 4.03Å; V295-Y299 WeakPolarHBondContact O-CB 3.42Å; V295-Y299 PolarHBondContact O-N 3.45Å; V295-V300 HydrophobicContact CG1-CG2 4.19Å; V295-V300 VanDerWaalsContact O-CG2 3.31Å; V295-V300 WeakPolarHBondContact O-CG2 3.19Å; V295-V300 PolarHBondContact O-N 2.9Å; V295-L485 HydrophobicContact CB-CD2 4.1Å; V295-L485 HydrophobicContact CG1-CD1 3.68Å; V295-L485 HydrophobicContact CG1-CD2 3.74Å; V295-L485 HydrophobicContact CG1-CG 4.34Å
296	I	94.6	Very high	94.2	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.062	11%	0.113	C	C	.	.	I	π-helix	trans	-71.4	-48.7	-176.8	-69.3	173.2	0	0	0	111.5	I292 K293 L310 F312 L485 L486	I292-I296 HydrophobicContact CG2-CD1 3.78Å; I292-I296 HydrophobicContact CG2-CG1 4.45Å; I292-I296 WeakPolarHBondContact O-CG1 3.44Å; I292-I296 PolarHBondContact O-N 3.15Å; K293-I296 PolarHBondContact O-N 2.73Å; I296-L310 HydrophobicContact CG2-CB 4.2Å; I296-F312 HydrophobicContact CB-CB 4.25Å; I296-F312 HydrophobicContact CD1-CB 4.11Å; I296-F312 HydrophobicContact CD1-CD2 3.59Å; I296-F312 HydrophobicContact CD1-CE2 4.41Å; I296-F312 HydrophobicContact CD1-CG 4.18Å; I296-F312 HydrophobicContact CG2-CB 4.32Å; I296-L485 HydrophobicContact CD1-CB 4.32Å; I296-L485 HydrophobicContact CD1-CD1 4.37Å; I296-L485 HydrophobicContact CG1-CD1 3.77Å; I296-L486 HydrophobicContact CD1-CD2 4.23Å
297	E	97.9	Very high	93.2	Very high	51 Å²	51	31 Å²	31	24%	0.238	16%	0.156	C	C	.	.	I	π-helix	trans	-87.8	-20.2	-166.9	-61.8	-172.3	-162.6	0	0	113.8	K293 Q301 F312	K293-E297 IonicContact NZ-OE1 2.73Å; K293-E297 PolarHBondContact NZ-OE1 2.92Å; K293-E297 IonicContact NZ-OE2 3.88Å; K293-E297 PolarHBondContact NZ-OE2 3.05Å; K293-E297 PolarHBondContact O-N 3.13Å; E297-Q301 WeakPolarHBondContact O-CB 3.17Å; E297-F312 HydrophobicContact CG-CB 4.3Å; E297-F312 PolarHBondContact OE1-N 2.95Å
298	E	98.2	Very high	92	Very high	57 Å²	57	36.9 Å²	36.9	27%	0.266	19%	0.187	S	C	.	.	I	π-helix	trans	-121.2	-51.5	-179.4	-65.1	-177.8	-112.4	0	0	112.4	I294 Q302 T514 L515 F531	I294-E298 WeakPolarHBondContact O-CB 3.33Å; I294-E298 PolarHBondContact O-N 3.26Å; E298-Q302 WeakPolarHBondContact O-CB 3.31Å; E298-Q302 PolarHBondContact O-N 3.25Å; E298-T514 WeakPolarHBondContact OE1-CA 3.05Å; E298-T514 VanDerWaalsContact OE1-CB 3.27Å; E298-T514 WeakPolarHBondContact OE1-CB 3.3Å; E298-L515 PolarHBondContact OE1-N 3.05Å; E298-L515 VanDerWaalsContact OE2-CB 3.31Å; E298-L515 WeakPolarHBondContact OE2-CB 3.41Å; E298-F531 HydrophobicContact CB-CD2 4.04Å; E298-F531 HydrophobicContact CB-CE2 4.02Å
299	Y	97.8	Very high	91.4	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.217	C	C	.	.	I	π-helix	trans	-69.7	-53.8	-175.9	173.9	-98.1	0	0	0	112.5	F149 F152 A153 I294 V295 Q301 Q302 L303 Y336 W338 F531	F149-Y299 HydrophobicContact CD1-CE2 4.26Å; F149-Y299 AromaticContact CD2-CD2 3.54Å; F149-Y299 HydrophobicContact CD2-CD2 3.54Å; F149-Y299 AromaticContact CD2-CE2 3.7Å; F149-Y299 HydrophobicContact CD2-CE2 3.7Å; F149-Y299 AromaticContact CE1-CE2 3.8Å; F149-Y299 HydrophobicContact CE1-CE2 3.8Å; F149-Y299 AromaticContact CE2-CD2 3.2Å; F149-Y299 HydrophobicContact CE2-CD2 3.2Å; F149-Y299 AromaticContact CE2-CE2 3.19Å; F149-Y299 HydrophobicContact CE2-CE2 3.19Å; F149-Y299 HydrophobicContact CE2-CG 4.01Å; F149-Y299 AromaticContact CE2-CZ 4Å; F149-Y299 HydrophobicContact CG-CD2 4.37Å; F149-Y299 HydrophobicContact CG-CE2 4.21Å; F149-Y299 AromaticContact CZ-CD2 3.78Å; F149-Y299 HydrophobicContact CZ-CD2 3.78Å; F149-Y299 AromaticContact CZ-CE2 3.22Å; F149-Y299 HydrophobicContact CZ-CE2 3.22Å; F149-Y299 AromaticContact CZ-CZ 3.69Å; F152-Y299 AromaticContact CD1-CD2 3.41Å; F152-Y299 HydrophobicContact CD1-CD2 3.41Å; F152-Y299 VanDerWaalsContact CD1-CD2 3.41Å; F152-Y299 AromaticContact CD1-CE2 3.82Å; F152-Y299 HydrophobicContact CD1-CE2 3.82Å; F152-Y299 AromaticContact CD1-CG 3.96Å; F152-Y299 HydrophobicContact CD1-CG 3.96Å; F152-Y299 AromaticContact CE1-CD2 3.79Å; F152-Y299 HydrophobicContact CE1-CD2 3.79Å; F152-Y299 HydrophobicContact CE1-CE2 4.42Å; F152-Y299 AromaticContact CE1-CG 3.84Å; F152-Y299 HydrophobicContact CE1-CG 3.84Å; F152-Y299 HydrophobicContact CG-CD2 4.5Å; A153-Y299 HydrophobicContact CB-CE2 3.84Å; A153-Y299 WeakPolarHBondContact CB-OH 3.2Å; I294-Y299 PolarHBondContact O-N 3.15Å; V295-Y299 HydrophobicContact CG1-CD1 4.03Å; V295-Y299 WeakPolarHBondContact O-CB 3.42Å; V295-Y299 PolarHBondContact O-N 3.45Å; Y299-Q301 VanDerWaalsContact C-N 3.26Å; Y299-Q301 PolarHBondContact O-N 3.44Å; Y299-Q302 PolarHBondContact O-N 2.88Å; Y299-L303 WeakPolarHBondContact O-CB 3.44Å; Y299-L303 PolarHBondContact O-N 3.4Å; Y299-Y336 VanDerWaalsContact CE1-OH 3.26Å; Y299-Y336 WeakPolarHBondContact CE1-OH 3.47Å; Y299-Y336 PolarHBondContact OH-OH 2.92Å; Y299-W338 WeakPolarHBondContact OH-CZ3 3.39Å; Y299-F531 HydrophobicContact CD2-CE2 4.46Å
300	V	91.4	Very high	90.6	Very high	33 Å²	33	45.5 Å²	45.5	20%	0.2	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-31.5	176.9	178.4	0	0	0	0	110.5	V295 L303 S304 L310	V295-V300 HydrophobicContact CG1-CG2 4.19Å; V295-V300 VanDerWaalsContact O-CG2 3.31Å; V295-V300 WeakPolarHBondContact O-CG2 3.19Å; V295-V300 PolarHBondContact O-N 2.9Å; V300-L303 PolarHBondContact O-N 3.28Å; V300-S304 VanDerWaalsContact O-CB 3.25Å; V300-S304 WeakPolarHBondContact O-CB 3.49Å; V300-S304 PolarHBondContact O-N 3.42Å; V300-S304 PolarHBondContact O-OG 3.03Å; V300-L310 HydrophobicContact CB-CD1 4.03Å; V300-L310 HydrophobicContact CG1-CD1 3.56Å
301	Q	88.7	Confident	90.2	Very high	26 Å²	26	51.4 Å²	51.4	12%	0.121	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-51	173.5	-172.3	68.7	58	0	0	111.4	E297 Y299 S304 G305 Y306 L308	E297-Q301 WeakPolarHBondContact O-CB 3.17Å; Y299-Q301 VanDerWaalsContact C-N 3.26Å; Y299-Q301 PolarHBondContact O-N 3.44Å; Q301-S304 PolarHBondContact O-OG 3.34Å; Q301-G305 PolarHBondContact O-N 3.43Å; Q301-G305 VanDerWaalsContact O-N 3.16Å; Q301-Y306 PolarHBondContact NE2-O 3.11Å; Q301-L308 PolarHBondContact NE2-O 3.19Å; Q301-L308 PolarHBondContact OE1-O 3.44Å
302	Q	94.3	Very high	90.1	Very high	31 Å²	31	51.9 Å²	51.9	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-46.5	176	174.1	59.9	18.8	0	0	111.4	Q143 T145 F149 E298 Y299 S304 G305 F531	Q143-Q302 PolarHBondContact NE2-O 3.4Å; Q143-Q302 PolarHBondContact O-NE2 2.93Å; Q143-Q302 VanDerWaalsContact O-NE2 3.1Å; T145-Q302 PolarHBondContact OG1-NE2 3.36Å; T145-Q302 VanDerWaalsContact OG1-NE2 3.12Å; F149-Q302 HydrophobicContact CD2-CB 4.49Å; F149-Q302 HydrophobicContact CD2-CG 4.14Å; F149-Q302 HydrophobicContact CE2-CB 4.47Å; F149-Q302 HydrophobicContact CE2-CG 4.34Å; E298-Q302 WeakPolarHBondContact O-CB 3.31Å; E298-Q302 PolarHBondContact O-N 3.25Å; Y299-Q302 PolarHBondContact O-N 2.88Å; Q302-S304 PolarHBondContact O-N 2.9Å; Q302-G305 PolarHBondContact O-N 2.99Å; Q302-F531 HydrophobicContact CB-CB 4.13Å; Q302-F531 HydrophobicContact CG-CB 3.99Å
303	L	89.6	Confident	89.9	Confident	19 Å²	19	53.4 Å²	53.4	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-44.7	-177.4	-176.4	64.7	0	0	0	112.4	Q143 F149 Y299 V300 W338 I468 F469	Q143-L303 PolarHBondContact NE2-O 3.33Å; Q143-L303 VanDerWaalsContact NE2-O 3.12Å; F149-L303 HydrophobicContact CE1-CD1 4.46Å; F149-L303 HydrophobicContact CE2-CB 4.17Å; F149-L303 HydrophobicContact CZ-CB 4.05Å; F149-L303 HydrophobicContact CZ-CD1 3.77Å; F149-L303 HydrophobicContact CZ-CG 4.38Å; Y299-L303 WeakPolarHBondContact O-CB 3.44Å; Y299-L303 PolarHBondContact O-N 3.4Å; V300-L303 PolarHBondContact O-N 3.28Å; L303-W338 HydrophobicContact CD1-CH2 4.14Å; L303-W338 HydrophobicContact CD1-CZ3 4.06Å; L303-W338 HydrophobicContact CD2-CH2 3.5Å; L303-W338 VanDerWaalsContact CD2-CH2 3.5Å; L303-W338 HydrophobicContact CD2-CZ2 4.45Å; L303-W338 HydrophobicContact CD2-CZ3 4.01Å; L303-W338 HydrophobicContact CG-CH2 4.46Å; L303-I468 HydrophobicContact CD1-CG2 3.95Å; L303-F469 HydrophobicContact CD1-CD1 4.42Å; L303-F469 HydrophobicContact CD1-CE1 3.41Å; L303-F469 VanDerWaalsContact CD1-CE1 3.41Å; L303-F469 HydrophobicContact CD1-CZ 3.83Å; L303-F469 HydrophobicContact CD2-CE1 4.25Å; L303-F469 HydrophobicContact CD2-CZ 4.29Å; L303-F469 HydrophobicContact CG-CE1 3.87Å; L303-F469 HydrophobicContact CG-CZ 3.81Å
304	S	82.9	Confident	89.7	Confident	21 Å²	21	52.5 Å²	52.5	15%	0.147	26%	0.259	C	S	.	.	H	α-helix	trans	-75.8	-27.7	-177.3	62.9	0	0	0	0	113.5	V300 Q301 Q302 Y306	V300-S304 VanDerWaalsContact O-CB 3.25Å; V300-S304 WeakPolarHBondContact O-CB 3.49Å; V300-S304 PolarHBondContact O-N 3.42Å; V300-S304 PolarHBondContact O-OG 3.03Å; Q301-S304 PolarHBondContact O-OG 3.34Å; Q302-S304 PolarHBondContact O-N 2.9Å; S304-Y306 VanDerWaalsContact O-CD1 3.27Å; S304-Y306 WeakPolarHBondContact O-CD1 3.03Å; S304-Y306 PolarHBondContact O-N 2.98Å; S304-Y306 PolarHBondContact OG-N 3.06Å
305	G	78.8	Confident	89.6	Confident	45 Å²	45	57.9 Å²	57.9	46%	0.464	29%	0.285	S	S	.	.			trans	64.1	16.8	-174.7	0	0	0	0	0	113.5	Q301 Q302	Q301-G305 PolarHBondContact O-N 3.43Å; Q301-G305 VanDerWaalsContact O-N 3.16Å; Q302-G305 PolarHBondContact O-N 2.99Å
306	Y	76.4	Confident	89.2	Confident	109 Å²	109	63.4 Å²	63.4	43%	0.427	31%	0.313	S	S	.	.			trans	-70.2	144.4	-178.7	-64.4	-14.7	0	0	0	111.2	Q301 S304 L308	Q301-Y306 PolarHBondContact NE2-O 3.11Å; S304-Y306 VanDerWaalsContact O-CD1 3.27Å; S304-Y306 WeakPolarHBondContact O-CD1 3.03Å; S304-Y306 PolarHBondContact O-N 2.98Å; S304-Y306 PolarHBondContact OG-N 3.06Å; Y306-L308 VanDerWaalsContact C-N 3.27Å
307	F	78.1	Confident	89.1	Confident	205 Å²	205	64.4 Å²	64.4	90%	0.899	32%	0.318	S	S	*	.	S	Bend	trans	-77.3	-18.8	167.2	-61	-54.4	0	0	0	112.4	Q309	F307-Q309 PolarHBondContact O-N 3.25Å
308	L	73.8	Confident	89	Confident	124 Å²	124	65.7 Å²	65.7	65%	0.649	32%	0.324	S	S	*	.	S	Bend	trans	-65.5	123.4	170.6	178.8	66.3	0	0	0	108.6	Q301 Y306 L310	Q301-L308 PolarHBondContact NE2-O 3.19Å; Q301-L308 PolarHBondContact OE1-O 3.44Å; Y306-L308 VanDerWaalsContact C-N 3.27Å; L308-L310 HydrophobicContact CD2-CD2 4.42Å; L308-L310 PolarHBondContact O-N 3.37Å
309	Q	85.6	Confident	88.5	Confident	148 Å²	148	67 Å²	67	69%	0.692	35%	0.353	S	S	*	.			trans	-74.6	108.9	172.7	-62.9	-61.4	-29.9	0	0	108.8	F307	F307-Q309 PolarHBondContact O-N 3.25Å
310	L	81.6	Confident	88.3	Confident	42 Å²	42	71.2 Å²	71.2	22%	0.22	38%	0.378	C	S	.	.			trans	-66.9	145.7	174.1	-59.1	-178.9	0	0	0	109.2	I296 V300 L308	I296-L310 HydrophobicContact CG2-CB 4.2Å; V300-L310 HydrophobicContact CB-CD1 4.03Å; V300-L310 HydrophobicContact CG1-CD1 3.56Å; L308-L310 HydrophobicContact CD2-CD2 4.42Å; L308-L310 PolarHBondContact O-N 3.37Å
311	K	90.7	Very high	88.4	Confident	133 Å²	133	79.4 Å²	79.4	58%	0.578	41%	0.414	S	S	*	.			trans	-132.5	131.9	-176.7	-171.9	-170.1	-178.8	-162.5	0	109.8	D313	K311-D313 HydrophobicContact CD-CB 3.89Å; K311-D313 WeakPolarHBondContact CE-OD2 3.07Å; K311-D313 HydrophobicContact CG-CB 4.14Å; K311-D313 IonicContact NZ-OD2 2.7Å; K311-D313 PolarHBondContact NZ-OD2 3.44Å; K311-D313 PolarHBondContact O-N 3.33Å
312	F	96.3	Very high	88.7	Confident	13 Å²	13	80.5 Å²	80.5	6%	0.057	42%	0.419	C	S	.	.			trans	-86.2	103.8	165.8	175.9	-129.4	0	0	0	109.7	I292 K293 I296 E297 P314 L486 W496 V510	I292-F312 HydrophobicContact CB-CE2 4.41Å; I292-F312 HydrophobicContact CB-CZ 4.25Å; I292-F312 HydrophobicContact CG2-CD2 3.72Å; I292-F312 HydrophobicContact CG2-CE1 4.29Å; I292-F312 HydrophobicContact CG2-CE2 3.4Å; I292-F312 HydrophobicContact CG2-CG 4.29Å; I292-F312 HydrophobicContact CG2-CZ 3.71Å; K293-F312 HydrophobicContact CB-CB 4.49Å; K293-F312 HydrophobicContact CB-CD1 3.73Å; K293-F312 HydrophobicContact CB-CE1 4.4Å; K293-F312 HydrophobicContact CB-CG 4.45Å; K293-F312 HydrophobicContact CG-CB 4.39Å; K293-F312 HydrophobicContact CG-CD1 4.22Å; I296-F312 HydrophobicContact CB-CB 4.25Å; I296-F312 HydrophobicContact CD1-CB 4.11Å; I296-F312 HydrophobicContact CD1-CD2 3.59Å; I296-F312 HydrophobicContact CD1-CE2 4.41Å; I296-F312 HydrophobicContact CD1-CG 4.18Å; I296-F312 HydrophobicContact CG2-CB 4.32Å; E297-F312 HydrophobicContact CG-CB 4.3Å; E297-F312 PolarHBondContact OE1-N 2.95Å; F312-P314 HydrophobicContact CD2-CG 4.35Å; F312-P314 HydrophobicContact CE2-CG 3.6Å; F312-P314 HydrophobicContact CZ-CG 3.72Å; F312-L486 HydrophobicContact CD2-CD2 4.25Å; F312-L486 HydrophobicContact CE2-CD2 4.21Å; F312-W496 HydrophobicContact CD1-CH2 4.33Å; F312-W496 AromaticContact CE1-CH2 3.49Å; F312-W496 HydrophobicContact CE1-CH2 3.49Å; F312-W496 VanDerWaalsContact CE1-CH2 3.49Å; F312-W496 HydrophobicContact CE1-CZ2 4.44Å; F312-W496 AromaticContact CE1-CZ3 3.85Å; F312-W496 HydrophobicContact CE1-CZ3 3.85Å; F312-W496 AromaticContact CZ-CH2 3.86Å; F312-W496 HydrophobicContact CZ-CH2 3.86Å; F312-W496 AromaticContact CZ-CZ3 3.85Å; F312-W496 HydrophobicContact CZ-CZ3 3.85Å; F312-V510 HydrophobicContact CE1-CG1 4.27Å
313	D	94.3	Very high	88.8	Confident	31 Å²	31	84 Å²	84	17%	0.166	44%	0.435	C	S	.	.			trans	-144.9	94.9	178.4	-172.7	-6.5	0	0	0	110.4	K311 E315 L316	K311-D313 HydrophobicContact CD-CB 3.89Å; K311-D313 WeakPolarHBondContact CE-OD2 3.07Å; K311-D313 HydrophobicContact CG-CB 4.14Å; K311-D313 IonicContact NZ-OD2 2.7Å; K311-D313 PolarHBondContact NZ-OD2 3.44Å; K311-D313 PolarHBondContact O-N 3.33Å; D313-E315 PolarHBondContact O-N 3.12Å; D313-E315 WeakPolarHBondContact OD1-CB 3.45Å; D313-E315 PolarHBondContact OD1-N 2.9Å; D313-L316 HydrophobicContact CB-CD1 3.9Å; D313-L316 HydrophobicContact CB-CG 3.97Å; D313-L316 WeakPolarHBondContact O-CB 3.4Å; D313-L316 WeakPolarHBondContact O-CG 3.28Å; D313-L316 PolarHBondContact O-N 2.99Å
314	P	96.1	Very high	89.2	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-58.3	-27	179.3	-29.7	39.3	0	0	0	114.5	F312 L316 L317 F318 C491 W496	F312-P314 HydrophobicContact CD2-CG 4.35Å; F312-P314 HydrophobicContact CE2-CG 3.6Å; F312-P314 HydrophobicContact CZ-CG 3.72Å; P314-L316 PolarHBondContact O-N 3.39Å; P314-L316 VanDerWaalsContact O-N 3.16Å; P314-L317 PolarHBondContact O-N 2.93Å; P314-F318 HydrophobicContact CB-CE1 4.08Å; P314-F318 HydrophobicContact CB-CZ 4.42Å; P314-F318 VanDerWaalsContact O-CD1 3.22Å; P314-F318 WeakPolarHBondContact O-CD1 3.34Å; P314-F318 VanDerWaalsContact O-CE1 3.23Å; P314-F318 WeakPolarHBondContact O-CE1 3.47Å; P314-C491 HydrophobicContact CB-CB 4.02Å; P314-C491 WeakPolarHBondContact CB-O 3.34Å; P314-C491 HydrophobicContact CG-CB 4.11Å; P314-W496 HydrophobicContact CB-CD2 4.05Å; P314-W496 HydrophobicContact CB-CG 4.02Å; P314-W496 HydrophobicContact CG-CD2 3.64Å; P314-W496 HydrophobicContact CG-CE3 3.85Å; P314-W496 HydrophobicContact CG-CG 4.16Å; P314-W496 HydrophobicContact CG-CH2 4.07Å; P314-W496 HydrophobicContact CG-CZ2 3.88Å; P314-W496 HydrophobicContact CG-CZ3 4.06Å
315	E	95.1	Very high	89.8	Confident	113 Å²	113	92.7 Å²	92.7	53%	0.528	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-63.8	-25	-176.3	-57.8	-174.9	-172.1	0	0	112.1	D313 L317 F318	D313-E315 PolarHBondContact O-N 3.12Å; D313-E315 WeakPolarHBondContact OD1-CB 3.45Å; D313-E315 PolarHBondContact OD1-N 2.9Å; E315-L317 PolarHBondContact O-N 2.87Å; E315-L317 VanDerWaalsContact O-N 3.08Å; E315-F318 HydrophobicContact CB-CD2 4.19Å; E315-F318 HydrophobicContact CB-CE2 4.13Å; E315-F318 HydrophobicContact CB-CZ 4.46Å; E315-F318 HydrophobicContact CG-CD2 4.22Å; E315-F318 HydrophobicContact CG-CE2 3.68Å; E315-F318 HydrophobicContact CG-CZ 3.98Å; E315-F318 PolarHBondContact O-N 3.34Å; E315-F318 VanDerWaalsContact O-N 3.09Å
316	L	91.3	Very high	90.7	Very high	118 Å²	118	92.5 Å²	92.5	62%	0.618	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-58.3	-22	173.9	-62.6	177.3	0	0	0	113.1	D313 P314	D313-L316 HydrophobicContact CB-CD1 3.9Å; D313-L316 HydrophobicContact CB-CG 3.97Å; D313-L316 WeakPolarHBondContact O-CB 3.4Å; D313-L316 WeakPolarHBondContact O-CG 3.28Å; D313-L316 PolarHBondContact O-N 2.99Å; P314-L316 PolarHBondContact O-N 3.39Å; P314-L316 VanDerWaalsContact O-N 3.16Å
317	L	92.9	Very high	91.7	Very high	32 Å²	32	96.8 Å²	96.8	17%	0.168	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-99	-6.9	179.8	-63.4	-177.6	0	0	0	114.1	P314 E315 G319 V320 F322 L486	P314-L317 PolarHBondContact O-N 2.93Å; E315-L317 PolarHBondContact O-N 2.87Å; E315-L317 VanDerWaalsContact O-N 3.08Å; L317-G319 VanDerWaalsContact C-N 3.28Å; L317-G319 PolarHBondContact O-N 3.22Å; L317-V320 PolarHBondContact O-N 3.35Å; L317-F322 HydrophobicContact CD1-CD1 3.95Å; L317-F322 HydrophobicContact CD1-CD2 4.28Å; L317-F322 HydrophobicContact CD1-CE1 4.09Å; L317-F322 HydrophobicContact CD1-CE2 4.41Å; L317-F322 HydrophobicContact CD1-CG 4.04Å; L317-F322 HydrophobicContact CD1-CZ 4.31Å; L317-L486 HydrophobicContact CD1-CB 3.83Å; L317-L486 HydrophobicContact CD1-CD1 4.01Å; L317-L486 HydrophobicContact CD1-CD2 4.48Å; L317-L486 HydrophobicContact CD1-CG 4.32Å
318	F	94.2	Very high	92.7	Very high	79 Å²	79	88.3 Å²	88.3	35%	0.346	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-28.9	-171	-69.7	3.8	0	0	0	113.2	P314 E315 P493 W496	P314-F318 HydrophobicContact CB-CE1 4.08Å; P314-F318 HydrophobicContact CB-CZ 4.42Å; P314-F318 VanDerWaalsContact O-CD1 3.22Å; P314-F318 WeakPolarHBondContact O-CD1 3.34Å; P314-F318 VanDerWaalsContact O-CE1 3.23Å; P314-F318 WeakPolarHBondContact O-CE1 3.47Å; E315-F318 HydrophobicContact CB-CD2 4.19Å; E315-F318 HydrophobicContact CB-CE2 4.13Å; E315-F318 HydrophobicContact CB-CZ 4.46Å; E315-F318 HydrophobicContact CG-CD2 4.22Å; E315-F318 HydrophobicContact CG-CE2 3.68Å; E315-F318 HydrophobicContact CG-CZ 3.98Å; E315-F318 PolarHBondContact O-N 3.34Å; E315-F318 VanDerWaalsContact O-N 3.09Å; F318-P493 HydrophobicContact CB-CG 4.37Å; F318-P493 HydrophobicContact CD1-CB 4.31Å; F318-P493 HydrophobicContact CD1-CG 3.58Å; F318-P493 HydrophobicContact CD2-CB 4.35Å; F318-P493 HydrophobicContact CD2-CG 4.34Å; F318-P493 HydrophobicContact CE1-CB 4.3Å; F318-P493 HydrophobicContact CE1-CG 3.89Å; F318-P493 HydrophobicContact CE2-CB 4.33Å; F318-P493 HydrophobicContact CG-CB 4.34Å; F318-P493 HydrophobicContact CG-CG 3.84Å; F318-P493 HydrophobicContact CZ-CB 4.32Å; F318-P493 HydrophobicContact CZ-CG 4.4Å; F318-W496 HydrophobicContact CZ-CB 3.96Å; F318-W496 AromaticContact CZ-CD1 3.86Å; F318-W496 HydrophobicContact CZ-CG 4.2Å
319	G	89.4	Confident	93.9	Very high	85 Å²	85	83.5 Å²	83.5	88%	0.876	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	3.9	174.7	0	0	0	0	0	114.7	L317	L317-G319 VanDerWaalsContact C-N 3.28Å; L317-G319 PolarHBondContact O-N 3.22Å
320	V	92.3	Very high	94.4	Very high	89 Å²	89	78.1 Å²	78.1	54%	0.539	38%	0.384	S	S	.	.	S	Bend	trans	-114.6	146.2	-171.6	-171.9	0	0	0	0	110.3	L317 F322	L317-V320 PolarHBondContact O-N 3.35Å; V320-F322 VanDerWaalsContact C-N 3.3Å; V320-F322 PolarHBondContact O-N 3.12Å
321	Q	94	Very high	95.2	Very high	204 Å²	204	78.3 Å²	78.3	95%	0.953	38%	0.384	S	S	*	.			trans	-70.6	87.7	170.7	-69	-173.3	-1	0	0	110.4
322	F	94.6	Very high	95.6	Very high	50 Å²	50	72.4 Å²	72.4	22%	0.219	36%	0.358	C	S	.	.			trans	-122.6	144.6	178.5	-171.9	-95.1	0	0	0	111	L317 V320 Y324 K483 L486	L317-F322 HydrophobicContact CD1-CD1 3.95Å; L317-F322 HydrophobicContact CD1-CD2 4.28Å; L317-F322 HydrophobicContact CD1-CE1 4.09Å; L317-F322 HydrophobicContact CD1-CE2 4.41Å; L317-F322 HydrophobicContact CD1-CG 4.04Å; L317-F322 HydrophobicContact CD1-CZ 4.31Å; V320-F322 VanDerWaalsContact C-N 3.3Å; V320-F322 PolarHBondContact O-N 3.12Å; F322-Y324 AromaticContact CD1-CD1 3.99Å; F322-Y324 HydrophobicContact CD1-CD1 3.99Å; F322-Y324 AromaticContact CD1-CE1 3.8Å; F322-Y324 HydrophobicContact CD1-CE1 3.8Å; F322-Y324 HydrophobicContact CD1-CE2 4.39Å; F322-Y324 HydrophobicContact CD1-CG 4.37Å; F322-Y324 HydrophobicContact CE1-CD1 4.1Å; F322-Y324 HydrophobicContact CE1-CE1 4.19Å; F322-K483 HydrophobicContact CE2-CD 4.39Å; F322-K483 HydrophobicContact CZ-CD 4.09Å; F322-L486 HydrophobicContact CE1-CB 4.36Å; F322-L486 VanDerWaalsContact CE1-O 3.29Å; F322-L486 WeakPolarHBondContact CE1-O 3.49Å; F322-L486 HydrophobicContact CZ-CB 4.09Å
323	Q	96.5	Very high	95.7	Very high	104 Å²	104	72.6 Å²	72.6	49%	0.486	36%	0.36	S	S	.	.			trans	-104.8	114.4	-178.4	-70.1	-68.1	-48	0	0	110.1	R325 K483	Q323-R325 HydrophobicContact CB-CG 4.32Å; Q323-R325 PolarHBondContact O-N 3.49Å; Q323-K483 PolarHBondContact O-NZ 2.87Å
324	Y	97.6	Very high	95.9	Very high	53 Å²	53	71.1 Å²	71.1	21%	0.208	35%	0.352	C	S	.	.			trans	-80.4	62.2	177.9	-57.7	-82.3	0	0	0	111.8	F322 L486 G487 C491	F322-Y324 AromaticContact CD1-CD1 3.99Å; F322-Y324 HydrophobicContact CD1-CD1 3.99Å; F322-Y324 AromaticContact CD1-CE1 3.8Å; F322-Y324 HydrophobicContact CD1-CE1 3.8Å; F322-Y324 HydrophobicContact CD1-CE2 4.39Å; F322-Y324 HydrophobicContact CD1-CG 4.37Å; F322-Y324 HydrophobicContact CE1-CD1 4.1Å; F322-Y324 HydrophobicContact CE1-CE1 4.19Å; Y324-L486 WeakPolarHBondContact CD1-O 3.39Å; Y324-G487 CarbonylContact C-O 3.47Å; Y324-G487 WeakPolarHBondContact CA-O 3.48Å; Y324-C491 HydrophobicContact CD1-CB 4.31Å; Y324-C491 HydrophobicContact CE1-CB 4.2Å; Y324-C491 WeakPolarHBondContact CE1-O 3.15Å
325	R	96.2	Very high	96	Very high	169 Å²	169	71.3 Å²	71.3	64%	0.638	35%	0.353	S	S	*	.			trans	-149.5	152.4	172.4	64.5	-179	112.6	-172.3	1.6	109.4	Q323 K483 G487	Q323-R325 HydrophobicContact CB-CG 4.32Å; Q323-R325 PolarHBondContact O-N 3.49Å; R325-K483 WeakPolarHBondContact O-CE 3.31Å; R325-K483 PolarHBondContact O-NZ 3.49Å; R325-G487 WeakPolarHBondContact CA-O 3.31Å; R325-G487 PolarHBondContact N-O 3.28Å
326	N	97.9	Very high	96.1	Very high	41 Å²	41	66.9 Å²	66.9	22%	0.219	33%	0.332	C	S	.	.			trans	-132.8	156.1	174.6	-170.8	42.3	0	0	0	111.7	H177 I328	H177-N326 PolarHBondContact O-ND2 3.41Å; N326-I328 WeakPolarHBondContact ND2-CD1 3.49Å
327	R	98.1	Very high	96.5	Very high	199 Å²	199	63 Å²	63	75%	0.751	31%	0.31	S	S	*	.			trans	-141.2	114.3	164.7	-177.5	155	178.3	153	-2.6	108.3	A329	R327-A329 PolarHBondContact O-N 3.28Å
328	I	98.1	Very high	96.8	Very high	28 Å²	28	62.4 Å²	62.4	14%	0.144	31%	0.306	C	S	.	.			trans	-59.2	126.2	178.6	-61.2	-66.5	0	0	0	109.8	F160 F161 H177 N326 F332	F160-I328 HydrophobicContact CB-CD1 4.07Å; F160-I328 HydrophobicContact CB-CG1 4Å; F160-I328 HydrophobicContact CD2-CD1 3.76Å; F160-I328 HydrophobicContact CD2-CG1 4.36Å; F160-I328 HydrophobicContact CE2-CD1 4.41Å; F160-I328 HydrophobicContact CG-CD1 3.97Å; F160-I328 HydrophobicContact CG-CG1 4.42Å; F161-I328 HydrophobicContact CD1-CG2 3.79Å; F161-I328 HydrophobicContact CE1-CG2 3.43Å; F161-I328 VanDerWaalsContact CE1-CG2 3.43Å; H177-I328 HydrophobicContact CB-CG1 4.27Å; H177-I328 PolarHBondContact ND1-N 2.9Å; N326-I328 WeakPolarHBondContact ND2-CD1 3.49Å; I328-F332 HydrophobicContact CD1-CD1 4.23Å; I328-F332 HydrophobicContact CD1-CE1 4.4Å
329	A	98.2	Very high	97	Very high	22 Å²	22	60.7 Å²	60.7	18%	0.182	30%	0.299	C	S	.	.			trans	-88.1	151.2	176.6	0	0	0	0	0	110.7	R327 E331 F332 N333 F480	R327-A329 PolarHBondContact O-N 3.28Å; A329-E331 VanDerWaalsContact C-N 3.3Å; A329-F332 HydrophobicContact CB-CB 4.37Å; A329-F332 WeakPolarHBondContact O-CB 3.49Å; A329-F332 PolarHBondContact O-N 2.74Å; A329-N333 PolarHBondContact O-N 3.44Å; A329-F480 HydrophobicContact CB-CD1 4.15Å; A329-F480 HydrophobicContact CB-CE1 3.43Å; A329-F480 VanDerWaalsContact CB-CE1 3.43Å; A329-F480 HydrophobicContact CB-CZ 3.74Å
330	M	97.6	Very high	97.4	Very high	36 Å²	36	56.9 Å²	56.9	18%	0.177	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-36.6	176.3	175.4	175.5	-68.6	0	0	111.9	F332 N333 H334 M409 L411	M330-F332 PolarHBondContact O-N 2.94Å; M330-N333 WeakPolarHBondContact O-CA 3.37Å; M330-N333 WeakPolarHBondContact O-CB 3.32Å; M330-N333 PolarHBondContact O-N 3.12Å; M330-N333 VanDerWaalsContact O-N 3.11Å; M330-H334 PolarHBondContact O-N 3.5Å; M330-H334 PolarHBondContact O-ND1 3.47Å; M330-M409 HydrophobicContact CE-CB 4.15Å; M330-M409 HydrophobicContact CE-CE 3.37Å; M330-M409 HydrophobicContact CE-CG 3.54Å; M330-M409 HydrophobicContact CE-SD 3.66Å; M330-M409 HydrophobicContact SD-CB 3.37Å; M330-M409 WeakPolarHBondContact SD-CB 3.02Å; M330-M409 HydrophobicContact SD-CE 3.88Å; M330-M409 HydrophobicContact SD-CG 3.36Å; M330-M409 WeakPolarHBondContact SD-CG 3.5Å; M330-M409 HydrophobicContact SD-SD 4.21Å; M330-L411 HydrophobicContact CG-CD2 4.41Å; M330-L411 HydrophobicContact SD-CD2 4.02Å
331	E	98.5	Very high	97.7	Very high	46 Å²	46	52.9 Å²	52.9	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-38.2	175.2	-64	89.4	160.6	0	0	111.2	A329 N333 H334 L335 L411 Y417 F454 F480	A329-E331 VanDerWaalsContact C-N 3.3Å; E331-N333 VanDerWaalsContact C-N 3.35Å; E331-H334 PolarHBondContact O-N 3.3Å; E331-L335 WeakPolarHBondContact O-CB 3.42Å; E331-L335 PolarHBondContact O-N 3.06Å; E331-L411 HydrophobicContact CG-CD2 4.39Å; E331-Y417 HydrophobicContact CG-CD1 4.33Å; E331-Y417 HydrophobicContact CG-CE1 3.45Å; E331-Y417 VanDerWaalsContact CG-CE1 3.45Å; E331-Y417 WeakPolarHBondContact CG-OH 2.9Å; E331-Y417 WeakPolarHBondContact OE1-CE1 3.41Å; E331-Y417 PolarHBondContact OE1-OH 3.47Å; E331-F454 HydrophobicContact CB-CE1 4.14Å; E331-F454 HydrophobicContact CB-CZ 4.01Å; E331-F454 WeakPolarHBondContact O-CE1 3.36Å; E331-F480 HydrophobicContact CB-CE2 4.25Å; E331-F480 HydrophobicContact CB-CZ 4.31Å
332	F	98.6	Very high	97.9	Very high	8 Å²	8	44 Å²	44	4%	0.035	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-39	175.7	-172.3	-136.7	0	0	0	111.6	F160 F161 I328 A329 M330 L335 Y336 F480	F160-F332 AromaticContact CE2-CE1 3.92Å; F160-F332 HydrophobicContact CE2-CE1 3.92Å; F160-F332 HydrophobicContact CZ-CE1 4.41Å; F161-F332 AromaticContact CE1-CD1 3.86Å; F161-F332 HydrophobicContact CE1-CD1 3.86Å; F161-F332 HydrophobicContact CE1-CE1 4.41Å; F161-F332 HydrophobicContact CE1-CG 4.38Å; F161-F332 HydrophobicContact CZ-CB 4.45Å; F161-F332 AromaticContact CZ-CD1 3.48Å; F161-F332 HydrophobicContact CZ-CD1 3.48Å; F161-F332 VanDerWaalsContact CZ-CD1 3.48Å; F161-F332 AromaticContact CZ-CE1 3.75Å; F161-F332 HydrophobicContact CZ-CE1 3.75Å; F161-F332 AromaticContact CZ-CG 3.91Å; F161-F332 HydrophobicContact CZ-CG 3.91Å; F161-F332 HydrophobicContact CZ-CZ 4.39Å; F161-F332 WeakPolarHBondContact CZ-O 3.48Å; I328-F332 HydrophobicContact CD1-CD1 4.23Å; I328-F332 HydrophobicContact CD1-CE1 4.4Å; A329-F332 HydrophobicContact CB-CB 4.37Å; A329-F332 WeakPolarHBondContact O-CB 3.49Å; A329-F332 PolarHBondContact O-N 2.74Å; M330-F332 PolarHBondContact O-N 2.94Å; F332-L335 PolarHBondContact O-N 3.14Å; F332-Y336 HydrophobicContact CD2-CD2 4.22Å; F332-Y336 AromaticContact CE2-CD2 3.51Å; F332-Y336 HydrophobicContact CE2-CD2 3.51Å; F332-Y336 AromaticContact CE2-CE2 3.74Å; F332-Y336 HydrophobicContact CE2-CE2 3.74Å; F332-Y336 AromaticContact CZ-CD2 3.76Å; F332-Y336 HydrophobicContact CZ-CD2 3.76Å; F332-Y336 AromaticContact CZ-CE2 3.74Å; F332-Y336 HydrophobicContact CZ-CE2 3.74Å; F332-Y336 PolarHBondContact O-N 3.35Å; F332-Y336 VanDerWaalsContact O-N 3.15Å; F332-F480 HydrophobicContact CB-CB 4.03Å; F332-F480 HydrophobicContact CB-CD1 4.19Å; F332-F480 HydrophobicContact CB-CD2 3.73Å; F332-F480 HydrophobicContact CB-CE2 4.18Å; F332-F480 HydrophobicContact CB-CG 3.74Å; F332-F480 HydrophobicContact CD1-CB 3.99Å; F332-F480 HydrophobicContact CD2-CB 3.42Å; F332-F480 VanDerWaalsContact CD2-CB 3.42Å; F332-F480 AromaticContact CD2-CD2 3.91Å; F332-F480 HydrophobicContact CD2-CD2 3.91Å; F332-F480 AromaticContact CD2-CG 3.94Å; F332-F480 HydrophobicContact CD2-CG 3.94Å; F332-F480 HydrophobicContact CE1-CB 4.31Å; F332-F480 HydrophobicContact CE2-CB 3.78Å; F332-F480 HydrophobicContact CG-CB 3.54Å; F332-F480 HydrophobicContact CG-CD2 4.07Å; F332-F480 AromaticContact CG-CG 3.85Å; F332-F480 HydrophobicContact CG-CG 3.85Å; F332-F480 HydrophobicContact CZ-CB 4.22Å
333	N	98.5	Very high	98.1	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-49.4	172.7	174.8	-93.7	0	0	0	111.5	F161 A329 M330 E331 L335 Y336 H337	F161-N333 WeakPolarHBondContact CB-ND2 3.45Å; F161-N333 HydrophobicContact CD1-CB 3.64Å; F161-N333 VanDerWaalsContact CD1-ND2 3.33Å; F161-N333 WeakPolarHBondContact CD1-ND2 3.47Å; F161-N333 HydrophobicContact CE1-CB 3.59Å; F161-N333 HydrophobicContact CG-CB 4.37Å; F161-N333 VanDerWaalsContact CG-ND2 3.33Å; F161-N333 WeakPolarHBondContact CG-ND2 3.49Å; F161-N333 HydrophobicContact CZ-CB 4.3Å; A329-N333 PolarHBondContact O-N 3.44Å; M330-N333 WeakPolarHBondContact O-CA 3.37Å; M330-N333 WeakPolarHBondContact O-CB 3.32Å; M330-N333 PolarHBondContact O-N 3.12Å; M330-N333 VanDerWaalsContact O-N 3.11Å; E331-N333 VanDerWaalsContact C-N 3.35Å; N333-L335 PolarHBondContact O-N 2.67Å; N333-Y336 PolarHBondContact O-N 3.32Å; N333-H337 PolarHBondContact O-CE1 3.41Å; N333-H337 VanDerWaalsContact O-CE1 3.23Å; N333-H337 PolarHBondContact O-ND1 3.15Å; N333-H337 PolarHBondContact OD1-CE1 2.86Å
334	H	98.3	Very high	98.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-44.1	177.5	-77.1	61.4	0	0	0	112.3	M330 E331 Y336 H337 E405 S406 F454 Y455	M330-H334 PolarHBondContact O-N 3.5Å; M330-H334 PolarHBondContact O-ND1 3.47Å; E331-H334 PolarHBondContact O-N 3.3Å; H334-Y336 PolarHBondContact O-N 3Å; H334-H337 PolarHBondContact O-N 3.25Å; H334-H337 PolarHBondContact O-ND1 2.83Å; H334-E405 IonicContact CE1-OE1 3.44Å; H334-E405 PolarHBondContact CE1-OE1 3.21Å; H334-E405 VanDerWaalsContact CE1-OE1 3.27Å; H334-S406 PolarHBondContact CD2-OG 3.41Å; H334-S406 PolarHBondContact NE2-N 3.41Å; H334-S406 PolarHBondContact NE2-OG 3.28Å; H334-S406 VanDerWaalsContact NE2-OG 3.13Å; H334-F454 HydrophobicContact CB-CD1 4.1Å; H334-F454 HydrophobicContact CB-CE1 4Å; H334-Y455 WeakPolarHBondContact O-CD2 3.46Å
335	L	98.3	Very high	98.3	Very high	3 Å²	3	39 Å²	39	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-34.9	179.1	-176.2	150.9	0	0	0	112.3	E331 F332 N333 H337 W338 F454 L458 M473 I476	E331-L335 WeakPolarHBondContact O-CB 3.42Å; E331-L335 PolarHBondContact O-N 3.06Å; F332-L335 PolarHBondContact O-N 3.14Å; N333-L335 PolarHBondContact O-N 2.67Å; L335-H337 VanDerWaalsContact C-N 3.31Å; L335-H337 PolarHBondContact O-N 3.08Å; L335-W338 HydrophobicContact CD2-CZ2 4.29Å; L335-W338 VanDerWaalsContact O-CD1 3.25Å; L335-W338 PolarHBondContact O-NE1 3.27Å; L335-F454 HydrophobicContact CB-CE1 4.46Å; L335-L458 HydrophobicContact CB-CD1 3.98Å; L335-L458 HydrophobicContact CD1-CD1 4.27Å; L335-L458 HydrophobicContact CD1-CD2 4.4Å; L335-L458 HydrophobicContact CG-CD1 4.03Å; L335-M473 HydrophobicContact CD1-SD 4.31Å; L335-M473 HydrophobicContact CD2-CG 4.37Å; L335-M473 HydrophobicContact CD2-SD 3.77Å; L335-M473 HydrophobicContact CG-SD 3.62Å; L335-I476 HydrophobicContact CD1-CB 3.75Å; L335-I476 HydrophobicContact CD1-CG2 3.56Å
336	Y	98.1	Very high	98.4	Very high	20 Å²	20	30.9 Å²	30.9	8%	0.078	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	8.4	-175	-125.3	-84.3	0	0	0	115.4	A153 T157 F161 Y299 F332 N333 H334 W338	A153-Y336 HydrophobicContact CB-CE1 4.47Å; T157-Y336 HydrophobicContact CG2-CD1 3.37Å; T157-Y336 HydrophobicContact CG2-CD2 4.43Å; T157-Y336 HydrophobicContact CG2-CE1 3.09Å; T157-Y336 HydrophobicContact CG2-CE2 4.2Å; T157-Y336 HydrophobicContact CG2-CG 4.03Å; F161-Y336 VanDerWaalsContact CE2-CB 3.41Å; F161-Y336 HydrophobicContact CE2-CD1 4.37Å; F161-Y336 HydrophobicContact CE2-CD2 4.21Å; F161-Y336 AromaticContact CE2-CG 3.76Å; F161-Y336 HydrophobicContact CE2-CG 3.76Å; F161-Y336 HydrophobicContact CZ-CG 4.44Å; Y299-Y336 VanDerWaalsContact CE1-OH 3.26Å; Y299-Y336 WeakPolarHBondContact CE1-OH 3.47Å; Y299-Y336 PolarHBondContact OH-OH 2.92Å; F332-Y336 HydrophobicContact CD2-CD2 4.22Å; F332-Y336 AromaticContact CE2-CD2 3.51Å; F332-Y336 HydrophobicContact CE2-CD2 3.51Å; F332-Y336 AromaticContact CE2-CE2 3.74Å; F332-Y336 HydrophobicContact CE2-CE2 3.74Å; F332-Y336 AromaticContact CZ-CD2 3.76Å; F332-Y336 HydrophobicContact CZ-CD2 3.76Å; F332-Y336 AromaticContact CZ-CE2 3.74Å; F332-Y336 HydrophobicContact CZ-CE2 3.74Å; F332-Y336 PolarHBondContact O-N 3.35Å; F332-Y336 VanDerWaalsContact O-N 3.15Å; N333-Y336 PolarHBondContact O-N 3.32Å; H334-Y336 PolarHBondContact O-N 3Å; Y336-W338 HydrophobicContact CD1-CD2 4.2Å; Y336-W338 HydrophobicContact CD1-CE3 4.23Å; Y336-W338 HydrophobicContact CD1-CH2 4.44Å; Y336-W338 HydrophobicContact CD1-CZ2 4.42Å; Y336-W338 HydrophobicContact CD1-CZ3 4.38Å; Y336-W338 HydrophobicContact CD2-CH2 4.35Å; Y336-W338 HydrophobicContact CD2-CZ2 4.05Å; Y336-W338 HydrophobicContact CE1-CD2 4.25Å; Y336-W338 AromaticContact CE1-CE3 3.85Å; Y336-W338 HydrophobicContact CE1-CE3 3.85Å; Y336-W338 AromaticContact CE1-CH2 3.8Å; Y336-W338 HydrophobicContact CE1-CH2 3.8Å; Y336-W338 HydrophobicContact CE1-CZ2 4.22Å; Y336-W338 AromaticContact CE1-CZ3 3.64Å; Y336-W338 HydrophobicContact CE1-CZ3 3.64Å; Y336-W338 AromaticContact CE2-CH2 3.73Å; Y336-W338 HydrophobicContact CE2-CH2 3.73Å; Y336-W338 AromaticContact CE2-CZ2 3.86Å; Y336-W338 HydrophobicContact CE2-CZ2 3.86Å; Y336-W338 HydrophobicContact CE2-CZ3 4.42Å; Y336-W338 HydrophobicContact CG-CZ2 4.35Å; Y336-W338 AromaticContact CZ-CH2 3.44Å; Y336-W338 VanDerWaalsContact CZ-CH2 3.44Å; Y336-W338 AromaticContact CZ-CZ2 3.97Å; Y336-W338 AromaticContact CZ-CZ3 3.7Å; Y336-W338 PolarHBondContact O-N 3.25Å
337	H	98.6	Very high	98.4	Very high	37 Å²	37	34 Å²	34	17%	0.171	16%	0.158	C	C	.	.			trans	-77.5	63	176.3	-75.4	75.7	0	0	0	111.8	N333 H334 L335 H339 V402 Y455	N333-H337 PolarHBondContact O-CE1 3.41Å; N333-H337 VanDerWaalsContact O-CE1 3.23Å; N333-H337 PolarHBondContact O-ND1 3.15Å; N333-H337 PolarHBondContact OD1-CE1 2.86Å; H334-H337 PolarHBondContact O-N 3.25Å; H334-H337 PolarHBondContact O-ND1 2.83Å; L335-H337 VanDerWaalsContact C-N 3.31Å; L335-H337 PolarHBondContact O-N 3.08Å; H337-H339 AromaticContact CD2-CE1 3.58Å; H337-H339 PolarHBondContact O-N 3.37Å; H337-H339 PolarHBondContact O-ND1 3.45Å; H337-V402 HydrophobicContact CB-CG2 4.34Å; H337-V402 WeakPolarHBondContact CD2-CG2 3.14Å; H337-V402 WeakPolarHBondContact NE2-CG2 3.46Å; H337-Y455 HydrophobicContact CB-CE2 3.67Å; H337-Y455 PolarHBondContact O-OH 2.89Å; H337-Y455 VanDerWaalsContact O-OH 3.14Å
338	W	98.5	Very high	98.3	Very high	19 Å²	19	24.5 Å²	24.5	7%	0.072	12%	0.122	C	C	.	.			trans	-81	38.5	-175.5	-60	-13	0	0	0	114	F149 Y299 L303 L335 Y336 P340 L341 I385	F149-W338 HydrophobicContact CE1-CZ3 4.47Å; F149-W338 HydrophobicContact CZ-CZ3 4.43Å; Y299-W338 WeakPolarHBondContact OH-CZ3 3.39Å; L303-W338 HydrophobicContact CD1-CH2 4.14Å; L303-W338 HydrophobicContact CD1-CZ3 4.06Å; L303-W338 HydrophobicContact CD2-CH2 3.5Å; L303-W338 VanDerWaalsContact CD2-CH2 3.5Å; L303-W338 HydrophobicContact CD2-CZ2 4.45Å; L303-W338 HydrophobicContact CD2-CZ3 4.01Å; L303-W338 HydrophobicContact CG-CH2 4.46Å; L335-W338 HydrophobicContact CD2-CZ2 4.29Å; L335-W338 VanDerWaalsContact O-CD1 3.25Å; L335-W338 PolarHBondContact O-NE1 3.27Å; Y336-W338 HydrophobicContact CD1-CD2 4.2Å; Y336-W338 HydrophobicContact CD1-CE3 4.23Å; Y336-W338 HydrophobicContact CD1-CH2 4.44Å; Y336-W338 HydrophobicContact CD1-CZ2 4.42Å; Y336-W338 HydrophobicContact CD1-CZ3 4.38Å; Y336-W338 HydrophobicContact CD2-CH2 4.35Å; Y336-W338 HydrophobicContact CD2-CZ2 4.05Å; Y336-W338 HydrophobicContact CE1-CD2 4.25Å; Y336-W338 AromaticContact CE1-CE3 3.85Å; Y336-W338 HydrophobicContact CE1-CE3 3.85Å; Y336-W338 AromaticContact CE1-CH2 3.8Å; Y336-W338 HydrophobicContact CE1-CH2 3.8Å; Y336-W338 HydrophobicContact CE1-CZ2 4.22Å; Y336-W338 AromaticContact CE1-CZ3 3.64Å; Y336-W338 HydrophobicContact CE1-CZ3 3.64Å; Y336-W338 AromaticContact CE2-CH2 3.73Å; Y336-W338 HydrophobicContact CE2-CH2 3.73Å; Y336-W338 AromaticContact CE2-CZ2 3.86Å; Y336-W338 HydrophobicContact CE2-CZ2 3.86Å; Y336-W338 HydrophobicContact CE2-CZ3 4.42Å; Y336-W338 HydrophobicContact CG-CZ2 4.35Å; Y336-W338 AromaticContact CZ-CH2 3.44Å; Y336-W338 VanDerWaalsContact CZ-CH2 3.44Å; Y336-W338 AromaticContact CZ-CZ2 3.97Å; Y336-W338 AromaticContact CZ-CZ3 3.7Å; Y336-W338 PolarHBondContact O-N 3.25Å; W338-P340 WeakPolarHBondContact O-CD 3.45Å; W338-P340 VanDerWaalsContact O-N 3.12Å; W338-L341 HydrophobicContact CB-CD1 3.71Å; W338-L341 HydrophobicContact CB-CG 4.21Å; W338-L341 HydrophobicContact CE3-CD1 4.2Å; W338-L341 VanDerWaalsContact O-CB 3.3Å; W338-L341 WeakPolarHBondContact O-CB 3.43Å; W338-L341 WeakPolarHBondContact O-CG 3.4Å; W338-L341 PolarHBondContact O-N 3.46Å; W338-I385 HydrophobicContact CB-CD1 3.88Å; W338-I385 HydrophobicContact CB-CG1 4.1Å; W338-I385 HydrophobicContact CB-CG2 4.5Å; W338-I385 HydrophobicContact CD2-CD1 3.57Å; W338-I385 HydrophobicContact CE3-CD1 3.77Å; W338-I385 HydrophobicContact CG-CD1 3.61Å; W338-I385 HydrophobicContact CG-CG1 4.21Å; W338-I385 HydrophobicContact CG-CG2 4.18Å; W338-I385 HydrophobicContact CZ3-CD1 4.5Å
339	H	98.6	Very high	98	Very high	43 Å²	43	26.8 Å²	26.8	20%	0.199	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-52.5	-27.2	175.7	-64.9	89.8	0	0	0	115.5	H337 L341 M342 M391 I395 V398	H337-H339 AromaticContact CD2-CE1 3.58Å; H337-H339 PolarHBondContact O-N 3.37Å; H337-H339 PolarHBondContact O-ND1 3.45Å; H339-L341 PolarHBondContact O-N 3.48Å; H339-L341 VanDerWaalsContact O-N 3.12Å; H339-M342 PolarHBondContact O-N 3.06Å; H339-M342 VanDerWaalsContact O-N 3.13Å; H339-M391 HydrophobicContact CB-CE 3.94Å; H339-M391 HydrophobicContact CB-CG 4.17Å; H339-M391 HydrophobicContact CB-SD 4.02Å; H339-I395 HydrophobicContact CB-CD1 3.87Å; H339-I395 HydrophobicContact CB-CG1 4.45Å; H339-I395 WeakPolarHBondContact O-CD1 3.49Å; H339-V398 VanDerWaalsContact CE1-CG1 3.48Å; H339-V398 WeakPolarHBondContact CE1-CG1 3.37Å
340	P	98.8	Very high	97.6	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.032	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-61.2	-16.6	173.6	-24.9	36.8	0	0	0	114.8	R135 W338 M342 G383 R384 N390 M391	R135-P340 PolarHBondContact NH2-O 3.04Å; W338-P340 WeakPolarHBondContact O-CD 3.45Å; W338-P340 VanDerWaalsContact O-N 3.12Å; P340-M342 PolarHBondContact O-N 2.92Å; P340-G383 VanDerWaalsContact O-CA 3.29Å; P340-G383 WeakPolarHBondContact O-CA 3.22Å; P340-R384 VanDerWaalsContact CB-O 3.27Å; P340-R384 WeakPolarHBondContact CB-O 3.31Å; P340-N390 WeakPolarHBondContact CA-O 2.96Å; P340-N390 HydrophobicContact CB-CB 4.3Å; P340-N390 WeakPolarHBondContact CB-O 3.41Å; P340-M391 HydrophobicContact CG-CB 4.45Å; P340-M391 HydrophobicContact CG-CE 4.04Å
341	L	98.8	Very high	97.5	Very high	6 Å²	6	35 Å²	35	3%	0.031	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.6	-32.4	173.2	-73	169.3	0	0	0	112.5	T145 F149 A150 W338 H339 A382 G383 I385 I468	T145-L341 HydrophobicContact CG2-CD2 4.23Å; F149-L341 HydrophobicContact CE1-CD1 4.33Å; A150-L341 HydrophobicContact CB-CB 3.97Å; A150-L341 HydrophobicContact CB-CD1 4.26Å; W338-L341 HydrophobicContact CB-CD1 3.71Å; W338-L341 HydrophobicContact CB-CG 4.21Å; W338-L341 HydrophobicContact CE3-CD1 4.2Å; W338-L341 VanDerWaalsContact O-CB 3.3Å; W338-L341 WeakPolarHBondContact O-CB 3.43Å; W338-L341 WeakPolarHBondContact O-CG 3.4Å; W338-L341 PolarHBondContact O-N 3.46Å; H339-L341 PolarHBondContact O-N 3.48Å; H339-L341 VanDerWaalsContact O-N 3.12Å; L341-A382 HydrophobicContact CB-CB 4.43Å; L341-A382 HydrophobicContact CD2-CB 3.9Å; L341-A382 WeakPolarHBondContact O-CA 3.36Å; L341-A382 WeakPolarHBondContact O-CB 3.22Å; L341-G383 PolarHBondContact O-N 2.75Å; L341-I385 HydrophobicContact CD1-CD1 4.3Å; L341-I385 HydrophobicContact CD2-CD1 4.15Å; L341-I385 HydrophobicContact CD2-CG1 4.02Å; L341-I385 HydrophobicContact CG-CD1 4.16Å; L341-I385 HydrophobicContact CG-CG1 3.92Å; L341-I468 HydrophobicContact CD2-CD1 3.93Å
342	M	98.6	Very high	97.5	Very high	18 Å²	18	38 Å²	38	9%	0.089	21%	0.214	C	C	.	.	S	Bend	trans	-67.1	136.5	-174.4	-59.8	-58.4	-63.9	0	0	111	R135 F151 H339 P340 F346 Y355 I395	R135-M342 VanDerWaalsContact CZ-O 3.29Å; R135-M342 PolarHBondContact NH1-O 3.29Å; R135-M342 PolarHBondContact NH2-O 3.44Å; F151-M342 HydrophobicContact CE1-CE 4.04Å; F151-M342 HydrophobicContact CZ-CE 4.29Å; H339-M342 PolarHBondContact O-N 3.06Å; H339-M342 VanDerWaalsContact O-N 3.13Å; P340-M342 PolarHBondContact O-N 2.92Å; M342-F346 HydrophobicContact CE-CE1 3.41Å; M342-F346 VanDerWaalsContact CE-CE1 3.41Å; M342-F346 HydrophobicContact CE-CZ 3.37Å; M342-Y355 VanDerWaalsContact CB-OH 3.24Å; M342-Y355 WeakPolarHBondContact CB-OH 3.25Å; M342-I395 HydrophobicContact CB-CD1 3.74Å; M342-I395 HydrophobicContact CG-CD1 3.7Å
343	P	98.6	Very high	97.5	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.026	22%	0.22	C	C	.	.			trans	-76.1	-175.4	-174.9	36.9	-39	0	0	0	111.7	R135 L147 S345 F346 Y355	R135-P343 PolarHBondContact NH1-O 3.23Å; L147-P343 HydrophobicContact CD1-CG 3.99Å; L147-P343 HydrophobicContact CD2-CG 4.13Å; P343-S345 VanDerWaalsContact C-N 3.32Å; P343-S345 VanDerWaalsContact CB-O 3.25Å; P343-S345 WeakPolarHBondContact CB-O 3.31Å; P343-S345 WeakPolarHBondContact CG-O 3.37Å; P343-F346 HydrophobicContact CG-CD1 3.91Å; P343-F346 HydrophobicContact CG-CE1 3.81Å; P343-F346 HydrophobicContact CG-CG 4.45Å; P343-F346 HydrophobicContact CG-CZ 4.28Å; P343-Y355 WeakPolarHBondContact O-CE2 3.41Å; P343-Y355 PolarHBondContact O-OH 3.26Å
344	D	98.5	Very high	97.5	Very high	78 Å²	78	40.7 Å²	40.7	42%	0.417	23%	0.229	S	C	.	.	S	Bend	trans	-77.9	-23.6	169.9	-63.8	-22.3	0	0	0	111.7	R135 F138	R135-D344 WeakPolarHBondContact CD-OD1 3.44Å; R135-D344 IonicContact CZ-OD1 2.76Å; R135-D344 IonicContact NE-OD1 3.57Å; R135-D344 IonicContact NH1-OD1 3.55Å; R135-D344 PolarHBondContact NH1-OD1 3.03Å; F138-D344 WeakPolarHBondContact CB-OD2 3.39Å
345	S	98.5	Very high	97.5	Very high	18 Å²	18	41 Å²	41	13%	0.126	23%	0.23	C	C	.	.	S	Bend	trans	-160.6	161.8	-175.2	57.6	0	0	0	0	109.9	P343 E352 Y353 Q380	P343-S345 VanDerWaalsContact C-N 3.32Å; P343-S345 VanDerWaalsContact CB-O 3.25Å; P343-S345 WeakPolarHBondContact CB-O 3.31Å; P343-S345 WeakPolarHBondContact CG-O 3.37Å; S345-E352 WeakPolarHBondContact CB-OE1 3.39Å; S345-E352 PolarHBondContact OG-OE1 2.86Å; S345-Y353 CarbonylContact C-O 3.56Å; S345-Y353 WeakPolarHBondContact CA-O 3.4Å; S345-Y353 WeakPolarHBondContact CB-O 3.41Å; S345-Q380 PolarHBondContact O-NE2 3.4Å
346	F	98.7	Very high	97.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.4	-178.9	-56.1	-88.6	0	0	0	110.6	L147 F151 M342 P343 Y353 Y355 F358	L147-F346 HydrophobicContact CD1-CD1 4.04Å; F151-F346 HydrophobicContact CZ-CD1 4.16Å; F151-F346 AromaticContact CZ-CE1 3.82Å; F151-F346 HydrophobicContact CZ-CE1 3.82Å; M342-F346 HydrophobicContact CE-CE1 3.41Å; M342-F346 VanDerWaalsContact CE-CE1 3.41Å; M342-F346 HydrophobicContact CE-CZ 3.37Å; P343-F346 HydrophobicContact CG-CD1 3.91Å; P343-F346 HydrophobicContact CG-CE1 3.81Å; P343-F346 HydrophobicContact CG-CG 4.45Å; P343-F346 HydrophobicContact CG-CZ 4.28Å; F346-Y353 PolarHBondContact N-O 3.48Å; F346-Y353 PolarHBondContact O-N 2.99Å; F346-Y355 HydrophobicContact CE2-CD1 4.24Å; F346-Y355 HydrophobicContact CE2-CD2 4.19Å; F346-Y355 HydrophobicContact CE2-CE1 4.3Å; F346-Y355 HydrophobicContact CE2-CE2 4.24Å; F346-Y355 HydrophobicContact CE2-CG 4.21Å; F346-Y355 HydrophobicContact CZ-CE1 4.24Å; F346-F358 HydrophobicContact CB-CD2 3.74Å; F346-F358 HydrophobicContact CB-CE2 3.98Å; F346-F358 HydrophobicContact CB-CG 4.26Å; F346-F358 HydrophobicContact CD1-CD1 4.1Å; F346-F358 HydrophobicContact CD1-CD2 4.2Å; F346-F358 AromaticContact CD1-CE1 3.92Å; F346-F358 HydrophobicContact CD1-CE1 3.92Å; F346-F358 HydrophobicContact CD1-CE2 4.04Å; F346-F358 HydrophobicContact CD1-CG 4.24Å; F346-F358 AromaticContact CD1-CZ 3.9Å; F346-F358 HydrophobicContact CD1-CZ 3.9Å; F346-F358 HydrophobicContact CD2-CB 3.52Å; F346-F358 AromaticContact CD2-CD1 3.75Å; F346-F358 HydrophobicContact CD2-CD1 3.75Å; F346-F358 AromaticContact CD2-CD2 3.81Å; F346-F358 HydrophobicContact CD2-CD2 3.81Å; F346-F358 HydrophobicContact CD2-CE1 4.4Å; F346-F358 HydrophobicContact CD2-CE2 4.47Å; F346-F358 AromaticContact CD2-CG 3.41Å; F346-F358 HydrophobicContact CD2-CG 3.41Å; F346-F358 VanDerWaalsContact CD2-CG 3.41Å; F346-F358 AromaticContact CE1-CD1 3.96Å; F346-F358 HydrophobicContact CE1-CD1 3.96Å; F346-F358 AromaticContact CE1-CE1 3.79Å; F346-F358 HydrophobicContact CE1-CE1 3.79Å; F346-F358 HydrophobicContact CE1-CG 4.49Å; F346-F358 HydrophobicContact CE1-CZ 4.2Å; F346-F358 HydrophobicContact CE2-CB 3.81Å; F346-F358 AromaticContact CE2-CD1 3.6Å; F346-F358 HydrophobicContact CE2-CD1 3.6Å; F346-F358 HydrophobicContact CE2-CD2 4.5Å; F346-F358 HydrophobicContact CE2-CE1 4.29Å; F346-F358 AromaticContact CE2-CG 3.72Å; F346-F358 HydrophobicContact CE2-CG 3.72Å; F346-F358 HydrophobicContact CG-CB 4.25Å; F346-F358 AromaticContact CG-CD1 3.99Å; F346-F358 HydrophobicContact CG-CD1 3.99Å; F346-F358 AromaticContact CG-CD2 3.64Å; F346-F358 HydrophobicContact CG-CD2 3.64Å; F346-F358 HydrophobicContact CG-CE1 4.22Å; F346-F358 AromaticContact CG-CE2 3.9Å; F346-F358 HydrophobicContact CG-CE2 3.9Å; F346-F358 AromaticContact CG-CG 3.7Å; F346-F358 HydrophobicContact CG-CG 3.7Å; F346-F358 HydrophobicContact CG-CZ 4.18Å; F346-F358 AromaticContact CZ-CD1 3.7Å; F346-F358 HydrophobicContact CZ-CD1 3.7Å; F346-F358 AromaticContact CZ-CE1 3.98Å; F346-F358 HydrophobicContact CZ-CE1 3.98Å; F346-F358 HydrophobicContact CZ-CG 4.25Å
347	K	98	Very high	97.4	Very high	105 Å²	105	51 Å²	51	46%	0.457	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124	-177.9	-64.9	-178.1	179	-176.3	0	109.9	Q351 E352	K347-Q351 WeakPolarHBondContact CA-O 3.33Å; K347-E352 VanDerWaalsContact CE-OE1 3.24Å; K347-E352 WeakPolarHBondContact CE-OE1 3.11Å; K347-E352 HydrophobicContact CG-CB 4.41Å; K347-E352 HydrophobicContact CG-CG 4.15Å
348	V	96.8	Very high	97.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	106.4	176.1	-173.4	0	0	0	0	108.4	S350 Q351 Y353 Y368 L373 A376 F377	V348-S350 PolarHBondContact O-N 3.48Å; V348-Q351 PolarHBondContact N-O 2.94Å; V348-Q351 PolarHBondContact O-N 2.87Å; V348-Q351 VanDerWaalsContact O-N 3.13Å; V348-Y353 HydrophobicContact CB-CE2 4.28Å; V348-Y353 HydrophobicContact CG2-CD2 4.37Å; V348-Y353 HydrophobicContact CG2-CE2 4.45Å; V348-Y368 HydrophobicContact CB-CE1 4.28Å; V348-Y368 HydrophobicContact CG1-CD1 3.52Å; V348-Y368 HydrophobicContact CG1-CD2 4.12Å; V348-Y368 HydrophobicContact CG1-CE1 3.5Å; V348-Y368 VanDerWaalsContact CG1-CE1 3.5Å; V348-Y368 HydrophobicContact CG1-CE2 4.1Å; V348-Y368 HydrophobicContact CG1-CG 3.83Å; V348-L373 HydrophobicContact CG1-CD2 3.78Å; V348-L373 HydrophobicContact CG2-CD2 3.88Å; V348-A376 HydrophobicContact CB-CB 4.4Å; V348-A376 HydrophobicContact CG1-CB 4.18Å; V348-A376 HydrophobicContact CG2-CB 4.43Å; V348-F377 HydrophobicContact CG2-CE1 4.43Å
349	G	90.4	Very high	97.4	Very high	75 Å²	75	51.2 Å²	51.2	77%	0.773	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	-124.2	-168.9	0	0	0	0	0	111.2
350	S	90.5	Very high	97.3	Very high	121 Å²	121	52.8 Å²	52.8	85%	0.846	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.1	176.8	57	0	0	0	0	114.2	V348	V348-S350 PolarHBondContact O-N 3.48Å
351	Q	96.5	Very high	97.2	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.509	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	145.3	-176.5	-62.4	-65.8	-9.7	0	0	111.2	K347 V348 Y353	K347-Q351 WeakPolarHBondContact CA-O 3.33Å; V348-Q351 PolarHBondContact N-O 2.94Å; V348-Q351 PolarHBondContact O-N 2.87Å; V348-Q351 VanDerWaalsContact O-N 3.13Å; Q351-Y353 HydrophobicContact CB-CD2 4.46Å; Q351-Y353 HydrophobicContact CB-CE2 3.79Å
352	E	97.6	Very high	97.1	Very high	109 Å²	109	56.9 Å²	56.9	51%	0.509	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.1	177.3	-174.5	165.5	-158.2	0	0	109.3	S345 K347	S345-E352 WeakPolarHBondContact CB-OE1 3.39Å; S345-E352 PolarHBondContact OG-OE1 2.86Å; K347-E352 VanDerWaalsContact CE-OE1 3.24Å; K347-E352 WeakPolarHBondContact CE-OE1 3.11Å; K347-E352 HydrophobicContact CG-CB 4.41Å; K347-E352 HydrophobicContact CG-CG 4.15Å
353	Y	98.5	Very high	97	Very high	44 Å²	44	58.4 Å²	58.4	17%	0.173	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.3	-176.4	-69.1	-89.9	0	0	0	110.3	S345 F346 V348 Q351 Q357 M364 Y368	S345-Y353 CarbonylContact C-O 3.56Å; S345-Y353 WeakPolarHBondContact CA-O 3.4Å; S345-Y353 WeakPolarHBondContact CB-O 3.41Å; F346-Y353 PolarHBondContact N-O 3.48Å; F346-Y353 PolarHBondContact O-N 2.99Å; V348-Y353 HydrophobicContact CB-CE2 4.28Å; V348-Y353 HydrophobicContact CG2-CD2 4.37Å; V348-Y353 HydrophobicContact CG2-CE2 4.45Å; Q351-Y353 HydrophobicContact CB-CD2 4.46Å; Q351-Y353 HydrophobicContact CB-CE2 3.79Å; Y353-Q357 HydrophobicContact CD1-CB 3.87Å; Y353-M364 HydrophobicContact CD1-CE 3.57Å; Y353-M364 HydrophobicContact CD2-CE 3.78Å; Y353-M364 HydrophobicContact CE1-CE 3.68Å; Y353-M364 HydrophobicContact CE2-CE 3.88Å; Y353-M364 HydrophobicContact CG-CE 3.63Å; Y353-Y368 HydrophobicContact CE2-CE2 4.2Å; Y353-Y368 WeakPolarHBondContact OH-CE2 3.26Å; Y353-Y368 PolarHBondContact OH-OH 2.89Å
354	S	98.4	Very high	96.9	Very high	39 Å²	39	58.3 Å²	58.3	27%	0.273	32%	0.323	S	S	.	.			trans	-68.2	168.1	166.2	58	0	0	0	0	111.6	E356 Q357 F358	S354-E356 VanDerWaalsContact C-N 3.28Å; S354-E356 WeakPolarHBondContact CB-OE2 3.27Å; S354-E356 PolarHBondContact O-N 3.25Å; S354-Q357 PolarHBondContact O-N 3.09Å; S354-Q357 VanDerWaalsContact OG-CD 3.29Å; S354-Q357 VanDerWaalsContact OG-CG 3.28Å; S354-Q357 WeakPolarHBondContact OG-CG 3.39Å; S354-Q357 PolarHBondContact OG-N 3.46Å; S354-Q357 PolarHBondContact OG-OE1 3.01Å; S354-F358 WeakPolarHBondContact O-CB 3.47Å; S354-F358 PolarHBondContact O-N 2.87Å
355	Y	98.3	Very high	96.9	Very high	6 Å²	6	54.9 Å²	54.9	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-39.4	174.6	-87.3	-102.8	0	0	0	111.9	M342 P343 F346 Q357 F358 L359 D392 H394 I395	M342-Y355 VanDerWaalsContact CB-OH 3.24Å; M342-Y355 WeakPolarHBondContact CB-OH 3.25Å; P343-Y355 WeakPolarHBondContact O-CE2 3.41Å; P343-Y355 PolarHBondContact O-OH 3.26Å; F346-Y355 HydrophobicContact CE2-CD1 4.24Å; F346-Y355 HydrophobicContact CE2-CD2 4.19Å; F346-Y355 HydrophobicContact CE2-CE1 4.3Å; F346-Y355 HydrophobicContact CE2-CE2 4.24Å; F346-Y355 HydrophobicContact CE2-CG 4.21Å; F346-Y355 HydrophobicContact CZ-CE1 4.24Å; Y355-Q357 VanDerWaalsContact C-N 3.28Å; Y355-Q357 PolarHBondContact O-N 3.29Å; Y355-F358 PolarHBondContact O-N 3.25Å; Y355-L359 HydrophobicContact CD1-CD1 4.29Å; Y355-L359 VanDerWaalsContact O-CB 3.26Å; Y355-L359 WeakPolarHBondContact O-CB 3.36Å; Y355-L359 VanDerWaalsContact O-CG 3.26Å; Y355-L359 WeakPolarHBondContact O-CG 3.39Å; Y355-L359 PolarHBondContact O-N 2.98Å; Y355-D392 HydrophobicContact CE2-CB 4.45Å; Y355-H394 HydrophobicContact CD1-CB 3.85Å; Y355-H394 HydrophobicContact CD2-CB 4.47Å; Y355-H394 AromaticContact CD2-CE1 3.71Å; Y355-H394 AromaticContact CD2-CG 3.96Å; Y355-H394 AromaticContact CD2-ND1 3.38Å; Y355-H394 WeakPolarHBondContact CD2-ND1 3.22Å; Y355-H394 HydrophobicContact CE1-CB 4.22Å; Y355-H394 AromaticContact CE2-ND1 3.85Å; Y355-H394 HydrophobicContact CG-CB 3.97Å; Y355-H394 AromaticContact CG-CG 3.7Å; Y355-H394 AromaticContact CG-ND1 3.62Å; Y355-I395 HydrophobicContact CE1-CG2 4.08Å
356	E	97.3	Very high	96.9	Very high	130 Å²	130	55.3 Å²	55.3	61%	0.607	31%	0.306	S	S	*	.	H	α-helix	trans	-65.1	-32.1	178.9	-64.6	81.3	178.3	0	0	112.7	S354 H394	S354-E356 VanDerWaalsContact C-N 3.28Å; S354-E356 WeakPolarHBondContact CB-OE2 3.27Å; S354-E356 PolarHBondContact O-N 3.25Å; E356-H394 IonicContact OE1-CD2 3.86Å; E356-H394 IonicContact OE1-NE2 3.36Å; E356-H394 PolarHBondContact OE1-NE2 2.9Å; E356-H394 IonicContact OE2-NE2 3.83Å
357	Q	97.9	Very high	96.8	Very high	104 Å²	104	60.5 Å²	60.5	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-84.6	-21.6	176.9	-64.2	165.4	-53.1	0	0	112.8	Y353 S354 Y355 N361	Y353-Q357 HydrophobicContact CD1-CB 3.87Å; S354-Q357 PolarHBondContact O-N 3.09Å; S354-Q357 VanDerWaalsContact OG-CD 3.29Å; S354-Q357 VanDerWaalsContact OG-CG 3.28Å; S354-Q357 WeakPolarHBondContact OG-CG 3.39Å; S354-Q357 PolarHBondContact OG-N 3.46Å; S354-Q357 PolarHBondContact OG-OE1 3.01Å; Y355-Q357 VanDerWaalsContact C-N 3.28Å; Y355-Q357 PolarHBondContact O-N 3.29Å; Q357-N361 WeakPolarHBondContact O-CB 3.15Å; Q357-N361 PolarHBondContact O-ND2 3Å
358	F	98.1	Very high	96.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-91.3	-43	-178.9	-168.2	-100.4	0	0	0	112.4	F151 L246 P247 F346 S354 Y355 F360 N361 M364 F377	F151-F358 HydrophobicContact CE1-CE1 4.09Å; F151-F358 HydrophobicContact CE1-CZ 4.34Å; F151-F358 HydrophobicContact CE2-CZ 4.19Å; F151-F358 AromaticContact CZ-CE1 3.65Å; F151-F358 HydrophobicContact CZ-CE1 3.65Å; F151-F358 AromaticContact CZ-CZ 3.58Å; F151-F358 HydrophobicContact CZ-CZ 3.58Å; L246-F358 HydrophobicContact CB-CE1 4.25Å; L246-F358 HydrophobicContact CD2-CD1 3.68Å; L246-F358 HydrophobicContact CD2-CE1 3.71Å; P247-F358 HydrophobicContact CB-CE2 4.06Å; P247-F358 HydrophobicContact CB-CZ 4.04Å; P247-F358 WeakPolarHBondContact CD-O 3.28Å; P247-F358 HydrophobicContact CG-CD2 4.21Å; P247-F358 HydrophobicContact CG-CE1 4.45Å; P247-F358 HydrophobicContact CG-CE2 3.94Å; P247-F358 HydrophobicContact CG-CZ 4.08Å; F346-F358 HydrophobicContact CB-CD2 3.74Å; F346-F358 HydrophobicContact CB-CE2 3.98Å; F346-F358 HydrophobicContact CB-CG 4.26Å; F346-F358 HydrophobicContact CD1-CD1 4.1Å; F346-F358 HydrophobicContact CD1-CD2 4.2Å; F346-F358 AromaticContact CD1-CE1 3.92Å; F346-F358 HydrophobicContact CD1-CE1 3.92Å; F346-F358 HydrophobicContact CD1-CE2 4.04Å; F346-F358 HydrophobicContact CD1-CG 4.24Å; F346-F358 AromaticContact CD1-CZ 3.9Å; F346-F358 HydrophobicContact CD1-CZ 3.9Å; F346-F358 HydrophobicContact CD2-CB 3.52Å; F346-F358 AromaticContact CD2-CD1 3.75Å; F346-F358 HydrophobicContact CD2-CD1 3.75Å; F346-F358 AromaticContact CD2-CD2 3.81Å; F346-F358 HydrophobicContact CD2-CD2 3.81Å; F346-F358 HydrophobicContact CD2-CE1 4.4Å; F346-F358 HydrophobicContact CD2-CE2 4.47Å; F346-F358 AromaticContact CD2-CG 3.41Å; F346-F358 HydrophobicContact CD2-CG 3.41Å; F346-F358 VanDerWaalsContact CD2-CG 3.41Å; F346-F358 AromaticContact CE1-CD1 3.96Å; F346-F358 HydrophobicContact CE1-CD1 3.96Å; F346-F358 AromaticContact CE1-CE1 3.79Å; F346-F358 HydrophobicContact CE1-CE1 3.79Å; F346-F358 HydrophobicContact CE1-CG 4.49Å; F346-F358 HydrophobicContact CE1-CZ 4.2Å; F346-F358 HydrophobicContact CE2-CB 3.81Å; F346-F358 AromaticContact CE2-CD1 3.6Å; F346-F358 HydrophobicContact CE2-CD1 3.6Å; F346-F358 HydrophobicContact CE2-CD2 4.5Å; F346-F358 HydrophobicContact CE2-CE1 4.29Å; F346-F358 AromaticContact CE2-CG 3.72Å; F346-F358 HydrophobicContact CE2-CG 3.72Å; F346-F358 HydrophobicContact CG-CB 4.25Å; F346-F358 AromaticContact CG-CD1 3.99Å; F346-F358 HydrophobicContact CG-CD1 3.99Å; F346-F358 AromaticContact CG-CD2 3.64Å; F346-F358 HydrophobicContact CG-CD2 3.64Å; F346-F358 HydrophobicContact CG-CE1 4.22Å; F346-F358 AromaticContact CG-CE2 3.9Å; F346-F358 HydrophobicContact CG-CE2 3.9Å; F346-F358 AromaticContact CG-CG 3.7Å; F346-F358 HydrophobicContact CG-CG 3.7Å; F346-F358 HydrophobicContact CG-CZ 4.18Å; F346-F358 AromaticContact CZ-CD1 3.7Å; F346-F358 HydrophobicContact CZ-CD1 3.7Å; F346-F358 AromaticContact CZ-CE1 3.98Å; F346-F358 HydrophobicContact CZ-CE1 3.98Å; F346-F358 HydrophobicContact CZ-CG 4.25Å; S354-F358 WeakPolarHBondContact O-CB 3.47Å; S354-F358 PolarHBondContact O-N 2.87Å; Y355-F358 PolarHBondContact O-N 3.25Å; F358-F360 PolarHBondContact O-N 2.81Å; F358-N361 WeakPolarHBondContact O-CB 3.04Å; F358-N361 PolarHBondContact O-N 2.82Å; F358-M364 HydrophobicContact CD2-CE 3.82Å; F358-M364 HydrophobicContact CD2-SD 3.67Å; F358-M364 HydrophobicContact CE2-CE 4.35Å; F358-M364 HydrophobicContact CE2-SD 3.59Å; F358-M364 VanDerWaalsContact CE2-SD 3.59Å; F358-F377 HydrophobicContact CE2-CE1 4.24Å; F358-F377 AromaticContact CE2-CZ 3.95Å; F358-F377 HydrophobicContact CE2-CZ 3.95Å; F358-F377 HydrophobicContact CZ-CE1 4.32Å; F358-F377 AromaticContact CZ-CZ 3.89Å; F358-F377 HydrophobicContact CZ-CZ 3.89Å
359	L	97.3	Very high	96.8	Very high	60 Å²	60	59.2 Å²	59.2	31%	0.314	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	130.1	179.4	-72.5	167.3	0	0	0	110.8	L245 L246 Y355 N361	L245-L359 HydrophobicContact CD1-CD2 3.99Å; L245-L359 HydrophobicContact CG-CD2 4.2Å; L246-L359 HydrophobicContact CD2-CD2 3.45Å; L246-L359 VanDerWaalsContact CD2-CD2 3.45Å; L246-L359 HydrophobicContact CD2-CG 4.38Å; L246-L359 HydrophobicContact CG-CD2 4.42Å; Y355-L359 HydrophobicContact CD1-CD1 4.29Å; Y355-L359 VanDerWaalsContact O-CB 3.26Å; Y355-L359 WeakPolarHBondContact O-CB 3.36Å; Y355-L359 VanDerWaalsContact O-CG 3.26Å; Y355-L359 WeakPolarHBondContact O-CG 3.39Å; Y355-L359 PolarHBondContact O-N 2.98Å; L359-N361 PolarHBondContact O-N 2.96Å; L359-N361 VanDerWaalsContact O-N 3.14Å
360	F	97.4	Very high	97.2	Very high	76 Å²	76	55.6 Å²	55.6	33%	0.333	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	21.6	-177.3	-56.8	-70.7	0	0	0	114.8	P227 L245 F358 T362	P227-F360 HydrophobicContact CG-CB 3.89Å; P227-F360 HydrophobicContact CG-CD1 3.74Å; P227-F360 HydrophobicContact CG-CD2 3.75Å; P227-F360 HydrophobicContact CG-CE1 4.09Å; P227-F360 HydrophobicContact CG-CE2 4.11Å; P227-F360 HydrophobicContact CG-CG 3.53Å; P227-F360 HydrophobicContact CG-CZ 4.24Å; L245-F360 HydrophobicContact CB-CE1 4.21Å; L245-F360 HydrophobicContact CD1-CD1 4.09Å; L245-F360 HydrophobicContact CD1-CD2 4.17Å; L245-F360 HydrophobicContact CD1-CE1 3.47Å; L245-F360 VanDerWaalsContact CD1-CE1 3.47Å; L245-F360 HydrophobicContact CD1-CE2 3.55Å; L245-F360 HydrophobicContact CD1-CG 4.43Å; L245-F360 HydrophobicContact CD1-CZ 3.17Å; L245-F360 HydrophobicContact CG-CE1 4.45Å; L245-F360 HydrophobicContact CG-CZ 4.5Å; L245-F360 PolarHBondContact O-N 3.2Å; F358-F360 PolarHBondContact O-N 2.81Å; F360-T362 PolarHBondContact O-N 3.46Å; F360-T362 VanDerWaalsContact O-N 3.14Å
361	N	97.4	Very high	97.5	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.219	26%	0.259	C	S	.	.			trans	-71.6	108.4	173.5	-169.4	-40.6	0	0	0	110.1	P247 Q357 F358 L359 S363 M364	P247-N361 HydrophobicContact CG-CB 4.12Å; Q357-N361 WeakPolarHBondContact O-CB 3.15Å; Q357-N361 PolarHBondContact O-ND2 3Å; F358-N361 WeakPolarHBondContact O-CB 3.04Å; F358-N361 PolarHBondContact O-N 2.82Å; L359-N361 PolarHBondContact O-N 2.96Å; L359-N361 VanDerWaalsContact O-N 3.14Å; N361-S363 PolarHBondContact OD1-N 3.37Å; N361-S363 VanDerWaalsContact OD1-N 3.1Å; N361-S363 PolarHBondContact OD1-OG 2.6Å; N361-M364 HydrophobicContact CB-CB 4.36Å; N361-M364 WeakPolarHBondContact OD1-CB 3.5Å; N361-M364 PolarHBondContact OD1-N 2.83Å
362	T	95.6	Very high	97.6	Very high	57 Å²	57	48 Å²	48	35%	0.35	25%	0.251	S	S	.	.	S	Bend	trans	-86.5	-11.5	-175.5	56	0	0	0	0	114.1	Y226 I230 F360	Y226-T362 HydrophobicContact CD1-CG2 4.2Å; Y226-T362 HydrophobicContact CE1-CG2 3.87Å; I230-T362 HydrophobicContact CD1-CG2 3.97Å; I230-T362 HydrophobicContact CG2-CG2 4.28Å; F360-T362 PolarHBondContact O-N 3.46Å; F360-T362 VanDerWaalsContact O-N 3.14Å
363	S	96.6	Very high	97.7	Very high	50 Å²	50	42.8 Å²	42.8	35%	0.35	23%	0.226	S	C	.	.	S	Bend	trans	-104.9	-30.6	-176.1	73.3	0	0	0	0	113.1	N361 L365 V366 D367	N361-S363 PolarHBondContact OD1-N 3.37Å; N361-S363 VanDerWaalsContact OD1-N 3.1Å; N361-S363 PolarHBondContact OD1-OG 2.6Å; S363-L365 PolarHBondContact O-N 3.34Å; S363-V366 WeakPolarHBondContact O-CA 3.32Å; S363-V366 PolarHBondContact O-N 2.98Å; S363-D367 VanDerWaalsContact C-OD2 3.31Å; S363-D367 WeakPolarHBondContact CB-OD2 3.45Å; S363-D367 PolarHBondContact O-N 3.02Å; S363-D367 PolarHBondContact OG-OD2 3.12Å
364	M	97.6	Very high	97.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-49	-41.2	-173.7	-179.5	-179.8	-70	0	0	114	P247 Y353 F358 N361 Y368 L373	P247-M364 HydrophobicContact CB-CB 4.41Å; P247-M364 HydrophobicContact CB-CG 4.38Å; P247-M364 HydrophobicContact CB-SD 3.93Å; P247-M364 HydrophobicContact CG-CB 4.14Å; P247-M364 HydrophobicContact CG-CG 4.39Å; P247-M364 HydrophobicContact CG-SD 3.77Å; Y353-M364 HydrophobicContact CD1-CE 3.57Å; Y353-M364 HydrophobicContact CD2-CE 3.78Å; Y353-M364 HydrophobicContact CE1-CE 3.68Å; Y353-M364 HydrophobicContact CE2-CE 3.88Å; Y353-M364 HydrophobicContact CG-CE 3.63Å; F358-M364 HydrophobicContact CD2-CE 3.82Å; F358-M364 HydrophobicContact CD2-SD 3.67Å; F358-M364 HydrophobicContact CE2-CE 4.35Å; F358-M364 HydrophobicContact CE2-SD 3.59Å; F358-M364 VanDerWaalsContact CE2-SD 3.59Å; N361-M364 HydrophobicContact CB-CB 4.36Å; N361-M364 WeakPolarHBondContact OD1-CB 3.5Å; N361-M364 PolarHBondContact OD1-N 2.83Å; M364-Y368 HydrophobicContact CG-CD2 3.85Å; M364-Y368 HydrophobicContact CG-CE2 4.23Å; M364-Y368 WeakPolarHBondContact O-CB 3.48Å; M364-Y368 WeakPolarHBondContact O-CD2 3.23Å; M364-Y368 PolarHBondContact O-N 3.31Å; M364-Y368 VanDerWaalsContact O-N 3.11Å; M364-L373 HydrophobicContact CG-CD2 4.21Å; M364-L373 HydrophobicContact SD-CD2 4.37Å
365	L	97.7	Very high	97.7	Very high	6 Å²	6	41 Å²	41	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-41.2	178.1	175.4	61.3	0	0	0	112.6	Y213 M236 M250 L251 S363 G369 V370 L373	Y213-L365 HydrophobicContact CD1-CD2 4.13Å; Y213-L365 HydrophobicContact CD1-CG 4.18Å; Y213-L365 HydrophobicContact CE1-CD1 4.23Å; Y213-L365 HydrophobicContact CE1-CD2 4.24Å; Y213-L365 HydrophobicContact CE1-CG 3.79Å; Y213-L365 PolarHBondContact OH-O 2.88Å; M236-L365 HydrophobicContact CE-CD2 4.49Å; M236-L365 HydrophobicContact SD-CD2 4.16Å; M250-L365 HydrophobicContact CB-CD2 3.88Å; M250-L365 HydrophobicContact CG-CD2 3.52Å; L251-L365 HydrophobicContact CB-CD1 4.35Å; L251-L365 HydrophobicContact CD1-CD1 3.91Å; S363-L365 PolarHBondContact O-N 3.34Å; L365-G369 VanDerWaalsContact O-CA 3.25Å; L365-G369 WeakPolarHBondContact O-CA 3.42Å; L365-G369 PolarHBondContact O-N 3.1Å; L365-V370 HydrophobicContact CD1-CG2 4.36Å; L365-L373 HydrophobicContact CB-CD1 4.35Å; L365-L373 HydrophobicContact CD1-CD1 3.81Å
366	V	97.4	Very high	97.7	Very high	27 Å²	27	41.3 Å²	41.3	16%	0.164	22%	0.22	C	C	.	.	H	α-helix	trans	-78.3	-41.9	-179.9	-176.7	0	0	0	0	110.3	L208 Y213 M236 S363 Y368	L208-V366 HydrophobicContact CB-CG1 4.09Å; L208-V366 HydrophobicContact CD1-CG1 4.19Å; L208-V366 HydrophobicContact CD1-CG2 3.88Å; Y213-V366 HydrophobicContact CE1-CG2 4.45Å; Y213-V366 HydrophobicContact CE2-CG1 4.42Å; Y213-V366 HydrophobicContact CE2-CG2 4.41Å; M236-V366 HydrophobicContact CE-CG2 3.62Å; S363-V366 WeakPolarHBondContact O-CA 3.32Å; S363-V366 PolarHBondContact O-N 2.98Å; V366-Y368 PolarHBondContact O-N 3.07Å
367	D	96.9	Very high	97.7	Very high	110 Å²	110	35.1 Å²	35.1	59%	0.588	19%	0.191	S	C	*	.	H	α-helix	trans	-61	-41.5	-178.4	-63.1	-22.1	0	0	0	112.3	S363	S363-D367 VanDerWaalsContact C-OD2 3.31Å; S363-D367 WeakPolarHBondContact CB-OD2 3.45Å; S363-D367 PolarHBondContact O-N 3.02Å; S363-D367 PolarHBondContact OG-OD2 3.12Å
368	Y	97.5	Very high	97.8	Very high	69 Å²	69	30.1 Å²	30.1	27%	0.271	17%	0.168	S	C	.	.	H	α-helix	trans	-94.7	-28.9	-179.9	-77.5	-81.3	0	0	0	113.7	V348 Y353 M364 V366 A372	V348-Y368 HydrophobicContact CB-CE1 4.28Å; V348-Y368 HydrophobicContact CG1-CD1 3.52Å; V348-Y368 HydrophobicContact CG1-CD2 4.12Å; V348-Y368 HydrophobicContact CG1-CE1 3.5Å; V348-Y368 VanDerWaalsContact CG1-CE1 3.5Å; V348-Y368 HydrophobicContact CG1-CE2 4.1Å; V348-Y368 HydrophobicContact CG1-CG 3.83Å; Y353-Y368 HydrophobicContact CE2-CE2 4.2Å; Y353-Y368 WeakPolarHBondContact OH-CE2 3.26Å; Y353-Y368 PolarHBondContact OH-OH 2.89Å; M364-Y368 HydrophobicContact CG-CD2 3.85Å; M364-Y368 HydrophobicContact CG-CE2 4.23Å; M364-Y368 WeakPolarHBondContact O-CB 3.48Å; M364-Y368 WeakPolarHBondContact O-CD2 3.23Å; M364-Y368 PolarHBondContact O-N 3.31Å; M364-Y368 VanDerWaalsContact O-N 3.11Å; V366-Y368 PolarHBondContact O-N 3.07Å; Y368-A372 HydrophobicContact CD1-CB 4.43Å; Y368-A372 WeakPolarHBondContact O-CB 3.18Å
369	G	97.8	Very high	97.8	Very high	9 Å²	9	35.1 Å²	35.1	9%	0.093	19%	0.187	C	C	.	.	H	α-helix	trans	78	168.7	-169.4	0	0	0	0	0	113.8	L365 L373	L365-G369 VanDerWaalsContact O-CA 3.25Å; L365-G369 WeakPolarHBondContact O-CA 3.42Å; L365-G369 PolarHBondContact O-N 3.1Å; G369-L373 PolarHBondContact O-N 2.96Å
370	V	98.4	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-43.1	-176.6	172.4	0	0	0	0	110.9	Y213 L251 T254 L255 L365 L373 V374 T523	Y213-V370 HydrophobicContact CE1-CG2 4.5Å; L251-V370 HydrophobicContact CD1-CB 4.08Å; L251-V370 HydrophobicContact CD1-CG1 3.79Å; L251-V370 HydrophobicContact CD1-CG2 4.15Å; T254-V370 HydrophobicContact CG2-CG2 3.94Å; L255-V370 HydrophobicContact CD2-CG1 3.57Å; L255-V370 HydrophobicContact CG-CG1 3.98Å; L365-V370 HydrophobicContact CD1-CG2 4.36Å; V370-L373 PolarHBondContact O-N 3.4Å; V370-V374 HydrophobicContact CG1-CG2 4.18Å; V370-V374 WeakPolarHBondContact O-CB 3.26Å; V370-V374 VanDerWaalsContact O-CG2 3.29Å; V370-V374 WeakPolarHBondContact O-CG2 3.44Å; V370-V374 PolarHBondContact O-N 3.3Å; V370-T523 HydrophobicContact CB-CG2 4.23Å; V370-T523 HydrophobicContact CG1-CG2 3.64Å
371	E	98.1	Very high	97.9	Very high	29 Å²	29	32.6 Å²	32.6	14%	0.136	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-48.6	-173.9	-65.9	87.1	162.6	0	0	112.4	V374 D375 T523 K524 P527	E371-V374 PolarHBondContact O-N 3.05Å; E371-D375 PolarHBondContact O-N 3.29Å; E371-T523 HydrophobicContact CG-CG2 3.93Å; E371-T523 VanDerWaalsContact OE1-CB 3.27Å; E371-T523 WeakPolarHBondContact OE1-CB 3.47Å; E371-K524 PolarHBondContact OE1-N 3.42Å; E371-P527 WeakPolarHBondContact O-CB 3.48Å
372	A	98.1	Very high	97.9	Very high	41 Å²	41	30.7 Å²	30.7	34%	0.339	17%	0.165	S	C	.	.	H	α-helix	trans	-67.4	-38.7	-178.5	0	0	0	0	0	111.9	Y368 A376	Y368-A372 HydrophobicContact CD1-CB 4.43Å; Y368-A372 WeakPolarHBondContact O-CB 3.18Å; A372-A376 VanDerWaalsContact O-CB 3.27Å; A372-A376 WeakPolarHBondContact O-CB 3.26Å; A372-A376 PolarHBondContact O-N 3.33Å
373	L	98.6	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-69.6	-39.1	176.5	-71.1	-179.3	0	0	0	112.3	L251 V348 M364 L365 G369 V370 A376 F377	L251-L373 HydrophobicContact CD1-CB 4.07Å; L251-L373 HydrophobicContact CD1-CD1 4.46Å; L251-L373 HydrophobicContact CD2-CB 4.08Å; V348-L373 HydrophobicContact CG1-CD2 3.78Å; V348-L373 HydrophobicContact CG2-CD2 3.88Å; M364-L373 HydrophobicContact CG-CD2 4.21Å; M364-L373 HydrophobicContact SD-CD2 4.37Å; L365-L373 HydrophobicContact CB-CD1 4.35Å; L365-L373 HydrophobicContact CD1-CD1 3.81Å; G369-L373 PolarHBondContact O-N 2.96Å; V370-L373 PolarHBondContact O-N 3.4Å; L373-A376 PolarHBondContact O-N 2.93Å; L373-F377 HydrophobicContact CB-CD2 4.4Å; L373-F377 HydrophobicContact CB-CE2 4.06Å; L373-F377 HydrophobicContact CD2-CE2 4.32Å; L373-F377 HydrophobicContact CD2-CZ 3.98Å; L373-F377 WeakPolarHBondContact O-CB 3.29Å; L373-F377 VanDerWaalsContact O-CD2 3.24Å; L373-F377 WeakPolarHBondContact O-CD2 3.27Å; L373-F377 WeakPolarHBondContact O-CG 3.39Å; L373-F377 PolarHBondContact O-N 3.21Å
374	V	98.8	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-49.3	173.8	170.2	0	0	0	0	110.5	M148 L251 L255 V370 E371 A376 F377 S378 V519 P527 V529	M148-V374 HydrophobicContact CE-CG1 4.05Å; M148-V374 HydrophobicContact CE-CG2 3.91Å; M148-V374 HydrophobicContact SD-CG1 4.42Å; M148-V374 HydrophobicContact SD-CG2 4.43Å; L251-V374 HydrophobicContact CD1-CG2 4.25Å; L251-V374 HydrophobicContact CD2-CG2 4.06Å; L251-V374 HydrophobicContact CG-CG2 4.48Å; L255-V374 HydrophobicContact CD1-CG2 4.31Å; V370-V374 HydrophobicContact CG1-CG2 4.18Å; V370-V374 WeakPolarHBondContact O-CB 3.26Å; V370-V374 VanDerWaalsContact O-CG2 3.29Å; V370-V374 WeakPolarHBondContact O-CG2 3.44Å; V370-V374 PolarHBondContact O-N 3.3Å; E371-V374 PolarHBondContact O-N 3.05Å; V374-A376 PolarHBondContact O-N 3.06Å; V374-F377 PolarHBondContact O-N 3.43Å; V374-S378 VanDerWaalsContact O-CB 3.25Å; V374-S378 WeakPolarHBondContact O-CB 3.41Å; V374-S378 PolarHBondContact O-N 2.97Å; V374-S378 PolarHBondContact O-OG 2.82Å; V374-V519 HydrophobicContact CB-CG1 4.49Å; V374-V519 HydrophobicContact CG1-CG1 4.06Å; V374-V519 HydrophobicContact CG1-CG2 4.33Å; V374-V519 HydrophobicContact CG2-CG1 4.2Å; V374-V519 HydrophobicContact CG2-CG2 4.33Å; V374-P527 HydrophobicContact CB-CG 3.96Å; V374-P527 HydrophobicContact CG1-CB 4.47Å; V374-P527 HydrophobicContact CG1-CG 3.75Å; V374-V529 HydrophobicContact CG1-CB 3.84Å; V374-V529 HydrophobicContact CG1-CG2 3.99Å
375	D	98.4	Very high	98.2	Very high	46 Å²	46	28.6 Å²	28.6	25%	0.246	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-47.6	179.1	-175.4	82.9	0	0	0	111.3	E371 S378 R379 P527 Y528	E371-D375 PolarHBondContact O-N 3.29Å; D375-S378 PolarHBondContact O-N 3.37Å; D375-R379 VanDerWaalsContact O-CG 3.29Å; D375-R379 WeakPolarHBondContact O-CG 3.37Å; D375-R379 PolarHBondContact O-N 3.44Å; D375-R379 VanDerWaalsContact O-N 3.1Å; D375-R379 IonicContact OD1-CZ 3.39Å; D375-R379 IonicContact OD1-NE 3.49Å; D375-R379 PolarHBondContact OD1-NE 2.96Å; D375-R379 IonicContact OD1-NH2 2.73Å; D375-R379 PolarHBondContact OD1-NH2 3.45Å; D375-R379 WeakPolarHBondContact OD2-CD 3.33Å; D375-R379 IonicContact OD2-CZ 2.74Å; D375-R379 IonicContact OD2-NE 3.6Å; D375-R379 PolarHBondContact OD2-NE 3.07Å; D375-R379 IonicContact OD2-NH2 3.6Å; D375-P527 HydrophobicContact CB-CB 3.97Å; D375-Y528 WeakPolarHBondContact OD1-CB 3.48Å
376	A	98.4	Very high	98.2	Very high	11 Å²	11	28.3 Å²	28.3	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-51.2	178.3	0	0	0	0	0	112.5	V348 A372 L373 V374 S378 R379 Q380	V348-A376 HydrophobicContact CB-CB 4.4Å; V348-A376 HydrophobicContact CG1-CB 4.18Å; V348-A376 HydrophobicContact CG2-CB 4.43Å; A372-A376 VanDerWaalsContact O-CB 3.27Å; A372-A376 WeakPolarHBondContact O-CB 3.26Å; A372-A376 PolarHBondContact O-N 3.33Å; L373-A376 PolarHBondContact O-N 2.93Å; V374-A376 PolarHBondContact O-N 3.06Å; A376-S378 VanDerWaalsContact C-N 3.31Å; A376-S378 PolarHBondContact O-N 3.17Å; A376-R379 PolarHBondContact O-N 2.99Å; A376-Q380 PolarHBondContact O-N 3.41Å
377	F	98.7	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.4	-27.3	-178.9	-62.3	-25.5	0	0	0	112.8	N146 L147 M148 F151 L251 V348 F358 L373 V374 R379	N146-F377 WeakPolarHBondContact CB-O 3.4Å; L147-F377 CarbonylContact C-O 3.23Å; L147-F377 HydrophobicContact CB-CB 3.97Å; L147-F377 HydrophobicContact CB-CD1 4.25Å; L147-F377 HydrophobicContact CB-CG 4.34Å; L147-F377 HydrophobicContact CD1-CD1 4.24Å; L147-F377 PolarHBondContact N-O 2.79Å; M148-F377 HydrophobicContact CB-CB 4.33Å; M148-F377 PolarHBondContact N-O 2.82Å; F151-F377 HydrophobicContact CD2-CD1 4.44Å; F151-F377 AromaticContact CD2-CD2 3.79Å; F151-F377 HydrophobicContact CD2-CD2 3.79Å; F151-F377 AromaticContact CD2-CE2 4Å; F151-F377 HydrophobicContact CD2-CE2 4Å; F151-F377 HydrophobicContact CD2-CG 4.04Å; F151-F377 HydrophobicContact CD2-CZ 4.42Å; F151-F377 AromaticContact CE2-CD1 3.92Å; F151-F377 HydrophobicContact CE2-CD1 3.92Å; F151-F377 AromaticContact CE2-CD2 3.94Å; F151-F377 HydrophobicContact CE2-CD2 3.94Å; F151-F377 AromaticContact CE2-CE1 3.83Å; F151-F377 HydrophobicContact CE2-CE1 3.83Å; F151-F377 AromaticContact CE2-CE2 3.85Å; F151-F377 HydrophobicContact CE2-CE2 3.85Å; F151-F377 AromaticContact CE2-CG 3.98Å; F151-F377 HydrophobicContact CE2-CG 3.98Å; F151-F377 AromaticContact CE2-CZ 3.8Å; F151-F377 HydrophobicContact CE2-CZ 3.8Å; L251-F377 HydrophobicContact CD2-CD2 3.65Å; L251-F377 HydrophobicContact CD2-CE2 3.84Å; V348-F377 HydrophobicContact CG2-CE1 4.43Å; F358-F377 HydrophobicContact CE2-CE1 4.24Å; F358-F377 AromaticContact CE2-CZ 3.95Å; F358-F377 HydrophobicContact CE2-CZ 3.95Å; F358-F377 HydrophobicContact CZ-CE1 4.32Å; F358-F377 AromaticContact CZ-CZ 3.89Å; F358-F377 HydrophobicContact CZ-CZ 3.89Å; L373-F377 HydrophobicContact CB-CD2 4.4Å; L373-F377 HydrophobicContact CB-CE2 4.06Å; L373-F377 HydrophobicContact CD2-CE2 4.32Å; L373-F377 HydrophobicContact CD2-CZ 3.98Å; L373-F377 WeakPolarHBondContact O-CB 3.29Å; L373-F377 VanDerWaalsContact O-CD2 3.24Å; L373-F377 WeakPolarHBondContact O-CD2 3.27Å; L373-F377 WeakPolarHBondContact O-CG 3.39Å; L373-F377 PolarHBondContact O-N 3.21Å; V374-F377 PolarHBondContact O-N 3.43Å; F377-R379 VanDerWaalsContact C-N 3.32Å
378	S	98.6	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-74.1	-22.1	173.5	-77.3	0	0	0	0	113.3	N146 M148 V374 D375 A376 Y528 S530	N146-S378 VanDerWaalsContact ND2-CA 3.33Å; N146-S378 WeakPolarHBondContact ND2-CA 3.45Å; N146-S378 PolarHBondContact ND2-O 3.23Å; M148-S378 WeakPolarHBondContact CB-OG 3.48Å; V374-S378 VanDerWaalsContact O-CB 3.25Å; V374-S378 WeakPolarHBondContact O-CB 3.41Å; V374-S378 PolarHBondContact O-N 2.97Å; V374-S378 PolarHBondContact O-OG 2.82Å; D375-S378 PolarHBondContact O-N 3.37Å; A376-S378 VanDerWaalsContact C-N 3.31Å; A376-S378 PolarHBondContact O-N 3.17Å; S378-Y528 WeakPolarHBondContact CB-O 3.38Å; S378-S530 PolarHBondContact OG-N 3.27Å; S378-S530 PolarHBondContact OG-O 2.94Å
379	R	98.3	Very high	98.2	Very high	105 Å²	105	21.5 Å²	21.5	40%	0.396	11%	0.113	S	C	.	.	H	α-helix	trans	-93.2	-31.5	177.9	-68.8	173.7	-170.6	-79.7	-7.1	113.9	D375 A376 F377 I381 Y528 V533 P534	D375-R379 VanDerWaalsContact O-CG 3.29Å; D375-R379 WeakPolarHBondContact O-CG 3.37Å; D375-R379 PolarHBondContact O-N 3.44Å; D375-R379 VanDerWaalsContact O-N 3.1Å; D375-R379 IonicContact OD1-CZ 3.39Å; D375-R379 IonicContact OD1-NE 3.49Å; D375-R379 PolarHBondContact OD1-NE 2.96Å; D375-R379 IonicContact OD1-NH2 2.73Å; D375-R379 PolarHBondContact OD1-NH2 3.45Å; D375-R379 WeakPolarHBondContact OD2-CD 3.33Å; D375-R379 IonicContact OD2-CZ 2.74Å; D375-R379 IonicContact OD2-NE 3.6Å; D375-R379 PolarHBondContact OD2-NE 3.07Å; D375-R379 IonicContact OD2-NH2 3.6Å; A376-R379 PolarHBondContact O-N 2.99Å; F377-R379 VanDerWaalsContact C-N 3.32Å; R379-I381 PolarHBondContact O-N 2.91Å; R379-Y528 HydrophobicContact CG-CD1 4.21Å; R379-V533 WeakPolarHBondContact O-CG1 3.27Å; R379-P534 HydrophobicContact CG-CG 4.37Å
380	Q	98.3	Very high	98.2	Very high	25 Å²	25	21.2 Å²	21.2	12%	0.117	11%	0.109	C	C	.	.	S	Bend	trans	-77	121	-178.1	-174	171.9	-1.2	0	0	111.4	N146 L147 S345 A376	N146-Q380 CarbonylContact C-O 3.59Å; N146-Q380 WeakPolarHBondContact CA-O 3.34Å; N146-Q380 VanDerWaalsContact CB-O 3.25Å; N146-Q380 WeakPolarHBondContact CB-O 3.44Å; L147-Q380 HydrophobicContact CD1-CB 3.97Å; L147-Q380 VanDerWaalsContact CD1-CD 3.41Å; L147-Q380 HydrophobicContact CD1-CG 3.81Å; L147-Q380 VanDerWaalsContact CD1-OE1 3.26Å; L147-Q380 HydrophobicContact CG-CB 4.03Å; L147-Q380 HydrophobicContact CG-CG 4.02Å; L147-Q380 PolarHBondContact N-O 3.33Å; S345-Q380 PolarHBondContact O-NE2 3.4Å; A376-Q380 PolarHBondContact O-N 3.41Å
381	I	98.5	Very high	98.2	Very high	58 Å²	58	21.3 Å²	21.3	30%	0.297	11%	0.11	S	C	.	.	B	Isolated β-bridge	trans	-66.5	140.2	177.8	-164.1	160.7	0	0	0	111.9	F138 P140 R379 V533	F138-I381 HydrophobicContact CE1-CG2 3.99Å; F138-I381 HydrophobicContact CZ-CG2 4.44Å; P140-I381 HydrophobicContact CB-CD1 3.63Å; P140-I381 HydrophobicContact CB-CG1 4.06Å; P140-I381 HydrophobicContact CB-CG2 4.28Å; R379-I381 PolarHBondContact O-N 2.91Å; I381-V533 HydrophobicContact CB-CG1 3.92Å; I381-V533 HydrophobicContact CG1-CG1 4.29Å
382	A	98.8	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-90.2	162.3	173.8	0	0	0	0	0	111.5	D141 T145 L147 L341	D141-A382 PolarHBondContact N-O 2.85Å; T145-A382 HydrophobicContact CG2-CB 4.1Å; T145-A382 WeakPolarHBondContact O-CB 3.42Å; T145-A382 PolarHBondContact O-N 2.69Å; L147-A382 HydrophobicContact CD2-CB 4.28Å; L341-A382 HydrophobicContact CB-CB 4.43Å; L341-A382 HydrophobicContact CD2-CB 3.9Å; L341-A382 WeakPolarHBondContact O-CA 3.36Å; L341-A382 WeakPolarHBondContact O-CB 3.22Å
383	G	98.7	Very high	98.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-79.9	151.8	177.7	0	0	0	0	0	113.3	I139 P340 L341	I139-G383 CarbonylContact O-C 3.56Å; I139-G383 WeakPolarHBondContact O-CA 3.42Å; P340-G383 VanDerWaalsContact O-CA 3.29Å; P340-G383 WeakPolarHBondContact O-CA 3.22Å; L341-G383 PolarHBondContact O-N 2.75Å
384	R	98.6	Very high	98.2	Very high	62 Å²	62	26.4 Å²	26.4	23%	0.234	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-64.4	136.5	172.3	-169.4	177.7	71.4	-162.3	-3.1	111.6	I139 P340 G386 N390 I468	I139-R384 HydrophobicContact CG2-CB 4.25Å; I139-R384 PolarHBondContact O-N 3.02Å; P340-R384 VanDerWaalsContact CB-O 3.27Å; P340-R384 WeakPolarHBondContact CB-O 3.31Å; R384-G386 PolarHBondContact NE-O 2.92Å; R384-N390 PolarHBondContact N-ND2 3.38Å; R384-N390 VanDerWaalsContact N-ND2 3.12Å; R384-N390 PolarHBondContact O-ND2 2.9Å; R384-I468 VanDerWaalsContact CG-O 3.25Å; R384-I468 WeakPolarHBondContact CG-O 3.31Å
385	I	98.6	Very high	98.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	-76.8	-54.1	-178.3	-63.4	166.6	0	0	0	112	W338 L341 L459 I468 F469 M473	W338-I385 HydrophobicContact CB-CD1 3.88Å; W338-I385 HydrophobicContact CB-CG1 4.1Å; W338-I385 HydrophobicContact CB-CG2 4.5Å; W338-I385 HydrophobicContact CD2-CD1 3.57Å; W338-I385 HydrophobicContact CE3-CD1 3.77Å; W338-I385 HydrophobicContact CG-CD1 3.61Å; W338-I385 HydrophobicContact CG-CG1 4.21Å; W338-I385 HydrophobicContact CG-CG2 4.18Å; W338-I385 HydrophobicContact CZ3-CD1 4.5Å; L341-I385 HydrophobicContact CD1-CD1 4.3Å; L341-I385 HydrophobicContact CD2-CD1 4.15Å; L341-I385 HydrophobicContact CD2-CG1 4.02Å; L341-I385 HydrophobicContact CG-CD1 4.16Å; L341-I385 HydrophobicContact CG-CG1 3.92Å; I385-L459 HydrophobicContact CG2-CD2 3.98Å; I385-I468 HydrophobicContact CB-CG1 4.18Å; I385-I468 HydrophobicContact CD1-CD1 3.69Å; I385-I468 HydrophobicContact CD1-CG1 3.92Å; I385-I468 HydrophobicContact CG1-CD1 3.98Å; I385-I468 HydrophobicContact CG1-CG1 3.88Å; I385-I468 PolarHBondContact N-O 3Å; I385-F469 HydrophobicContact CD1-CD1 4.17Å; I385-M473 HydrophobicContact CG2-CE 3.87Å
386	G	97.1	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-88.4	176.4	-175.8	0	0	0	0	0	114.7	R384 G388 L459 C463 I468	R384-G386 PolarHBondContact NE-O 2.92Å; G386-G388 VanDerWaalsContact C-N 3.34Å; G386-L459 CarbonylContact C-O 3.59Å; G386-C463 PolarHBondContact O-SG 2.93Å; G386-I468 PolarHBondContact N-O 3.28Å
387	G	96.6	Very high	98.2	Very high	22 Å²	22	30.3 Å²	30.3	23%	0.227	14%	0.142	C	C	.	.	S	Bend	trans	81.9	6.5	179	0	0	0	0	0	115.1	L459 E461	G387-L459 PolarHBondContact N-O 3.05Å; G387-E461 PolarHBondContact N-O 3.26Å
388	G	97.1	Very high	98.2	Very high	4 Å²	4	32 Å²	32	4%	0.041	15%	0.152	C	C	.	.	S	Bend	trans	69.9	178.7	176.5	0	0	0	0	0	115.7	G386 N390 L459	G386-G388 VanDerWaalsContact C-N 3.34Å; G388-N390 VanDerWaalsContact C-N 3.29Å; G388-N390 PolarHBondContact O-N 2.96Å; G388-N390 VanDerWaalsContact O-N 3.15Å; G388-L459 PolarHBondContact N-O 3.4Å
389	R	97.6	Very high	98.2	Very high	37 Å²	37	32 Å²	32	14%	0.14	15%	0.152	C	C	.	.	S	Bend	trans	49.2	40.3	172	-60.9	178.7	173	175.6	-1.9	114.6	F132 L133 L134 R135 E437 M438	F132-R389 WeakPolarHBondContact O-CG 3.49Å; F132-R389 PolarHBondContact O-N 3.05Å; L133-R389 CarbonylContact O-C 3.53Å; L133-R389 WeakPolarHBondContact O-CA 3.44Å; L134-R389 CarbonylContact O-C 3.42Å; L134-R389 WeakPolarHBondContact O-CA 3.06Å; R135-R389 WeakPolarHBondContact CA-O 3.4Å; R389-E437 IonicContact CZ-OE1 2.86Å; R389-E437 IonicContact NH1-OE1 3.01Å; R389-E437 PolarHBondContact NH1-OE1 3.38Å; R389-E437 IonicContact NH2-OE1 3.75Å; R389-E437 PolarHBondContact NH2-OE1 2.89Å; R389-M438 HydrophobicContact CG-CE 4.3Å
390	N	98.5	Very high	98.2	Very high	3 Å²	3	27 Å²	27	2%	0.016	13%	0.133	C	C	.	.			trans	-137.8	14.3	-178.1	-158.8	34.3	0	0	0	115.1	L133 R135 I139 P340 R384 G388	L133-N390 PolarHBondContact O-N 2.86Å; L133-N390 VanDerWaalsContact O-N 3.07Å; R135-N390 VanDerWaalsContact CZ-O 3.3Å; R135-N390 PolarHBondContact NE-O 3.37Å; R135-N390 PolarHBondContact NE-OD1 3.47Å; R135-N390 VanDerWaalsContact NE-OD1 3.14Å; R135-N390 PolarHBondContact NH2-O 3.16Å; I139-N390 HydrophobicContact CB-CB 4.49Å; I139-N390 HydrophobicContact CD1-CB 4.36Å; I139-N390 PolarHBondContact N-OD1 3.17Å; I139-N390 PolarHBondContact O-ND2 3.47Å; P340-N390 WeakPolarHBondContact CA-O 2.96Å; P340-N390 HydrophobicContact CB-CB 4.3Å; P340-N390 WeakPolarHBondContact CB-O 3.41Å; R384-N390 PolarHBondContact N-ND2 3.38Å; R384-N390 VanDerWaalsContact N-ND2 3.12Å; R384-N390 PolarHBondContact O-ND2 2.9Å; G388-N390 VanDerWaalsContact C-N 3.29Å; G388-N390 PolarHBondContact O-N 2.96Å; G388-N390 VanDerWaalsContact O-N 3.15Å
391	M	98.3	Very high	98.2	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-91.9	124.1	174.7	-167.7	170.3	-57.9	0	0	111.3	L133 R135 H339 P340 I395 L396 A399 L459	L133-M391 WeakPolarHBondContact O-CB 2.92Å; L133-M391 PolarHBondContact O-N 3.49Å; R135-M391 VanDerWaalsContact CB-O 3.23Å; R135-M391 WeakPolarHBondContact CB-O 3.38Å; R135-M391 PolarHBondContact N-O 3.41Å; H339-M391 HydrophobicContact CB-CE 3.94Å; H339-M391 HydrophobicContact CB-CG 4.17Å; H339-M391 HydrophobicContact CB-SD 4.02Å; P340-M391 HydrophobicContact CG-CB 4.45Å; P340-M391 HydrophobicContact CG-CE 4.04Å; M391-I395 HydrophobicContact CG-CG1 4.27Å; M391-L396 HydrophobicContact CB-CD1 4.21Å; M391-L396 HydrophobicContact CG-CD1 4.33Å; M391-L396 HydrophobicContact SD-CD1 4.14Å; M391-A399 HydrophobicContact CE-CB 3.7Å; M391-A399 HydrophobicContact SD-CB 3.42Å; M391-A399 WeakPolarHBondContact SD-CB 3.25Å; M391-L459 HydrophobicContact CE-CD1 4.01Å
392	D	98.6	Very high	98.2	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.037	14%	0.136	C	C	.	.			trans	-60.7	145.6	178.1	-179.3	-98.3	0	0	0	112.3	Y355 H394 I395 L396	Y355-D392 HydrophobicContact CE2-CB 4.45Å; D392-H394 VanDerWaalsContact C-N 3.32Å; D392-H394 PolarHBondContact O-N 3.47Å; D392-H394 WeakPolarHBondContact OD1-CB 3.37Å; D392-H394 IonicContact OD1-CE1 3.54Å; D392-H394 IonicContact OD1-CG 2.7Å; D392-H394 PolarHBondContact OD1-N 3.43Å; D392-H394 IonicContact OD1-ND1 3.9Å; D392-H394 PolarHBondContact OD1-ND1 2.93Å; D392-H394 IonicContact OD2-ND1 2.73Å; D392-I395 HydrophobicContact CB-CG1 4.34Å; D392-I395 WeakPolarHBondContact O-CG1 3.38Å; D392-I395 PolarHBondContact O-N 3.32Å; D392-L396 PolarHBondContact O-N 2.95Å
393	H	98.3	Very high	98.2	Very high	117 Å²	117	27.2 Å²	27.2	54%	0.542	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.6	-174.2	69	-71.6	0	0	0	114.3	L134 I395 L396	L134-H393 HydrophobicContact CD1-CB 3.69Å; H393-I395 PolarHBondContact O-N 2.85Å; H393-L396 PolarHBondContact O-N 3.01Å
394	H	98.4	Very high	98.2	Very high	53 Å²	53	32.9 Å²	32.9	25%	0.245	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.9	178.8	-60.2	93.9	0	0	0	111.6	Y355 E356 D392 H397	Y355-H394 HydrophobicContact CD1-CB 3.85Å; Y355-H394 HydrophobicContact CD2-CB 4.47Å; Y355-H394 AromaticContact CD2-CE1 3.71Å; Y355-H394 AromaticContact CD2-CG 3.96Å; Y355-H394 AromaticContact CD2-ND1 3.38Å; Y355-H394 WeakPolarHBondContact CD2-ND1 3.22Å; Y355-H394 HydrophobicContact CE1-CB 4.22Å; Y355-H394 AromaticContact CE2-ND1 3.85Å; Y355-H394 HydrophobicContact CG-CB 3.97Å; Y355-H394 AromaticContact CG-CG 3.7Å; Y355-H394 AromaticContact CG-ND1 3.62Å; E356-H394 IonicContact OE1-CD2 3.86Å; E356-H394 IonicContact OE1-NE2 3.36Å; E356-H394 PolarHBondContact OE1-NE2 2.9Å; E356-H394 IonicContact OE2-NE2 3.83Å; D392-H394 VanDerWaalsContact C-N 3.32Å; D392-H394 PolarHBondContact O-N 3.47Å; D392-H394 WeakPolarHBondContact OD1-CB 3.37Å; D392-H394 IonicContact OD1-CE1 3.54Å; D392-H394 IonicContact OD1-CG 2.7Å; D392-H394 PolarHBondContact OD1-N 3.43Å; D392-H394 IonicContact OD1-ND1 3.9Å; D392-H394 PolarHBondContact OD1-ND1 2.93Å; D392-H394 IonicContact OD2-ND1 2.73Å; H394-H397 PolarHBondContact O-CE1 3.06Å; H394-H397 VanDerWaalsContact O-CE1 3.29Å; H394-H397 PolarHBondContact O-ND1 2.9Å
395	I	97.9	Very high	98.1	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.118	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	3.9	-175.5	60.8	-179.3	0	0	0	113.6	H339 M342 Y355 M391 D392 H393 H397 V398	H339-I395 HydrophobicContact CB-CD1 3.87Å; H339-I395 HydrophobicContact CB-CG1 4.45Å; H339-I395 WeakPolarHBondContact O-CD1 3.49Å; M342-I395 HydrophobicContact CB-CD1 3.74Å; M342-I395 HydrophobicContact CG-CD1 3.7Å; Y355-I395 HydrophobicContact CE1-CG2 4.08Å; M391-I395 HydrophobicContact CG-CG1 4.27Å; D392-I395 HydrophobicContact CB-CG1 4.34Å; D392-I395 WeakPolarHBondContact O-CG1 3.38Å; D392-I395 PolarHBondContact O-N 3.32Å; H393-I395 PolarHBondContact O-N 2.85Å; I395-H397 PolarHBondContact O-N 3.4Å; I395-V398 WeakPolarHBondContact O-CB 3.46Å; I395-V398 WeakPolarHBondContact O-CG2 3.49Å; I395-V398 PolarHBondContact O-N 3.21Å
396	L	98.3	Very high	98.1	Very high	10 Å²	10	32 Å²	32	5%	0.052	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-31.6	178	-173.7	71.4	0	0	0	112.7	A129 R130 L133 L134 M391 D392 H393 V398 A399 V400	A129-L396 HydrophobicContact CB-CD1 4Å; A129-L396 HydrophobicContact CB-CD2 4.41Å; A129-L396 HydrophobicContact CB-CG 4.11Å; R130-L396 HydrophobicContact CG-CD2 3.97Å; L133-L396 HydrophobicContact CB-CD1 4.08Å; L134-L396 HydrophobicContact CB-CD1 4.13Å; L134-L396 HydrophobicContact CB-CD2 3.9Å; L134-L396 HydrophobicContact CD1-CD2 4.04Å; L134-L396 HydrophobicContact CD2-CD2 4.46Å; L134-L396 HydrophobicContact CG-CD2 4.33Å; M391-L396 HydrophobicContact CB-CD1 4.21Å; M391-L396 HydrophobicContact CG-CD1 4.33Å; M391-L396 HydrophobicContact SD-CD1 4.14Å; D392-L396 PolarHBondContact O-N 2.95Å; H393-L396 PolarHBondContact O-N 3.01Å; L396-V398 PolarHBondContact O-N 3.41Å; L396-A399 PolarHBondContact O-N 3.03Å; L396-A399 VanDerWaalsContact O-N 3.1Å; L396-V400 PolarHBondContact O-N 2.93Å
397	H	98.5	Very high	98	Very high	106 Å²	106	35.1 Å²	35.1	49%	0.491	17%	0.168	S	C	.	.	H	α-helix	trans	-58.2	-31.6	177.9	70.2	-86.4	0	0	0	112.1	H394 I395 A399 V400 D401	H394-H397 PolarHBondContact O-CE1 3.06Å; H394-H397 VanDerWaalsContact O-CE1 3.29Å; H394-H397 PolarHBondContact O-ND1 2.9Å; I395-H397 PolarHBondContact O-N 3.4Å; H397-A399 PolarHBondContact O-N 3.15Å; H397-V400 WeakPolarHBondContact O-CB 3.14Å; H397-V400 PolarHBondContact O-N 3.01Å; H397-V400 VanDerWaalsContact O-N 3.17Å; H397-D401 PolarHBondContact O-N 2.64Å
398	V	98.4	Very high	98	Very high	36 Å²	36	40.3 Å²	40.3	22%	0.218	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-44.5	176.2	-175.5	0	0	0	0	110.7	H339 I395 L396 V400 D401 V402	H339-V398 VanDerWaalsContact CE1-CG1 3.48Å; H339-V398 WeakPolarHBondContact CE1-CG1 3.37Å; I395-V398 WeakPolarHBondContact O-CB 3.46Å; I395-V398 WeakPolarHBondContact O-CG2 3.49Å; I395-V398 PolarHBondContact O-N 3.21Å; L396-V398 PolarHBondContact O-N 3.41Å; V398-V400 VanDerWaalsContact C-N 3.31Å; V398-V400 PolarHBondContact O-N 2.91Å; V398-D401 PolarHBondContact O-N 2.69Å; V398-V402 HydrophobicContact CG1-CG2 4.48Å; V398-V402 VanDerWaalsContact O-CG2 3.27Å; V398-V402 WeakPolarHBondContact O-CG2 3.29Å; V398-V402 PolarHBondContact O-N 3Å
399	A	98.4	Very high	98	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-35.2	175.8	0	0	0	0	0	113.1	L133 M391 L396 H397 D401 V402 I403 Y455	L133-A399 HydrophobicContact CD1-CB 3.84Å; M391-A399 HydrophobicContact CE-CB 3.7Å; M391-A399 HydrophobicContact SD-CB 3.42Å; M391-A399 WeakPolarHBondContact SD-CB 3.25Å; L396-A399 PolarHBondContact O-N 3.03Å; L396-A399 VanDerWaalsContact O-N 3.1Å; H397-A399 PolarHBondContact O-N 3.15Å; A399-D401 VanDerWaalsContact C-N 3.31Å; A399-V402 PolarHBondContact O-N 3.04Å; A399-I403 VanDerWaalsContact O-CG1 3.3Å; A399-I403 WeakPolarHBondContact O-CG1 3.43Å; A399-I403 PolarHBondContact O-N 3.03Å; A399-Y455 HydrophobicContact CB-CE1 3.89Å
400	V	98.8	Very high	97.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-45	174.1	178.4	0	0	0	0	110.1	A125 A129 L396 H397 V398 I403 R404	A125-V400 HydrophobicContact CB-CG1 4.03Å; A129-V400 HydrophobicContact CB-CG2 3.46Å; A129-V400 VanDerWaalsContact CB-CG2 3.46Å; L396-V400 PolarHBondContact O-N 2.93Å; H397-V400 WeakPolarHBondContact O-CB 3.14Å; H397-V400 PolarHBondContact O-N 3.01Å; H397-V400 VanDerWaalsContact O-N 3.17Å; V398-V400 VanDerWaalsContact C-N 3.31Å; V398-V400 PolarHBondContact O-N 2.91Å; V400-I403 PolarHBondContact O-N 2.94Å; V400-R404 VanDerWaalsContact CG1-CZ 3.48Å; V400-R404 WeakPolarHBondContact O-CG 3.36Å; V400-R404 PolarHBondContact O-N 3.17Å
401	D	98.4	Very high	97.8	Very high	80 Å²	80	53.3 Å²	53.3	43%	0.428	24%	0.24	S	C	.	.	H	α-helix	trans	-70.4	-34.4	-179.5	-67	-25.3	0	0	0	112	H397 V398 A399 I403 R404 E405	H397-D401 PolarHBondContact O-N 2.64Å; V398-D401 PolarHBondContact O-N 2.69Å; A399-D401 VanDerWaalsContact C-N 3.31Å; D401-I403 PolarHBondContact O-N 2.75Å; D401-R404 PolarHBondContact O-N 2.78Å; D401-R404 IonicContact OD1-NH1 2.74Å; D401-R404 PolarHBondContact OD1-NH1 3.05Å; D401-E405 WeakPolarHBondContact O-CB 3.21Å; D401-E405 PolarHBondContact O-N 3.4Å
402	V	98.6	Very high	97.7	Very high	7 Å²	7	57 Å²	57	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-41.7	171.5	174.8	0	0	0	0	111.8	H337 V398 A399 R404 E405 S406 Y455	H337-V402 HydrophobicContact CB-CG2 4.34Å; H337-V402 WeakPolarHBondContact CD2-CG2 3.14Å; H337-V402 WeakPolarHBondContact NE2-CG2 3.46Å; V398-V402 HydrophobicContact CG1-CG2 4.48Å; V398-V402 VanDerWaalsContact O-CG2 3.27Å; V398-V402 WeakPolarHBondContact O-CG2 3.29Å; V398-V402 PolarHBondContact O-N 3Å; A399-V402 PolarHBondContact O-N 3.04Å; V402-R404 VanDerWaalsContact C-N 3.34Å; V402-E405 PolarHBondContact O-N 3.14Å; V402-S406 WeakPolarHBondContact O-CB 3.22Å; V402-S406 PolarHBondContact O-N 3.2Å; V402-S406 PolarHBondContact O-OG 2.81Å; V402-Y455 HydrophobicContact CB-CD1 4.1Å; V402-Y455 HydrophobicContact CB-CE1 4.06Å; V402-Y455 HydrophobicContact CG1-CD1 3.56Å; V402-Y455 HydrophobicContact CG1-CD2 3.85Å; V402-Y455 HydrophobicContact CG1-CE1 3.86Å; V402-Y455 HydrophobicContact CG1-CE2 4.16Å; V402-Y455 HydrophobicContact CG1-CG 3.52Å
403	I	98.6	Very high	97.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-41.5	176.1	-66	165.6	0	0	0	110.2	A125 L128 L133 A399 V400 D401 S406 R407 Y455 P456	A125-I403 HydrophobicContact CB-CB 4.03Å; A125-I403 HydrophobicContact CB-CG2 3.67Å; L128-I403 HydrophobicContact CB-CD1 4.29Å; L128-I403 HydrophobicContact CD1-CG2 4.48Å; L133-I403 HydrophobicContact CD1-CD1 4.36Å; A399-I403 VanDerWaalsContact O-CG1 3.3Å; A399-I403 WeakPolarHBondContact O-CG1 3.43Å; A399-I403 PolarHBondContact O-N 3.03Å; V400-I403 PolarHBondContact O-N 2.94Å; D401-I403 PolarHBondContact O-N 2.75Å; I403-S406 WeakPolarHBondContact O-CB 3.46Å; I403-S406 PolarHBondContact O-N 2.86Å; I403-R407 WeakPolarHBondContact O-CG 3.41Å; I403-R407 PolarHBondContact O-N 3.47Å; I403-Y455 HydrophobicContact CG1-CD1 4.02Å; I403-P456 HydrophobicContact CD1-CG 4.14Å; I403-P456 HydrophobicContact CG1-CG 4.04Å
404	R	98.2	Very high	97.7	Very high	119 Å²	119	52.3 Å²	52.3	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-64.4	-44.4	176.2	-70.8	170.1	175.8	158.4	-2	111.6	A125 V400 D401 V402 S406 R407 E408	A125-R404 HydrophobicContact CB-CG 4.04Å; V400-R404 VanDerWaalsContact CG1-CZ 3.48Å; V400-R404 WeakPolarHBondContact O-CG 3.36Å; V400-R404 PolarHBondContact O-N 3.17Å; D401-R404 PolarHBondContact O-N 2.78Å; D401-R404 IonicContact OD1-NH1 2.74Å; D401-R404 PolarHBondContact OD1-NH1 3.05Å; V402-R404 VanDerWaalsContact C-N 3.34Å; R404-S406 VanDerWaalsContact C-N 3.34Å; R404-S406 PolarHBondContact O-N 3.49Å; R404-R407 WeakPolarHBondContact O-CB 3.45Å; R404-R407 PolarHBondContact O-N 2.7Å; R404-R407 VanDerWaalsContact O-N 3.16Å; R404-E408 PolarHBondContact O-N 3.07Å
405	E	97.8	Very high	97.6	Very high	40 Å²	40	49.8 Å²	49.8	19%	0.187	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-43.9	177	-170.8	175.6	117.7	0	0	111.1	P169 H334 D401 V402 R407 E408 M409	P169-E405 HydrophobicContact CB-CG 3.66Å; P169-E405 HydrophobicContact CG-CG 3.82Å; H334-E405 IonicContact CE1-OE1 3.44Å; H334-E405 PolarHBondContact CE1-OE1 3.21Å; H334-E405 VanDerWaalsContact CE1-OE1 3.27Å; D401-E405 WeakPolarHBondContact O-CB 3.21Å; D401-E405 PolarHBondContact O-N 3.4Å; V402-E405 PolarHBondContact O-N 3.14Å; E405-R407 PolarHBondContact O-N 2.89Å; E405-E408 PolarHBondContact O-N 2.94Å; E405-M409 HydrophobicContact CG-CG 4.28Å; E405-M409 WeakPolarHBondContact O-CB 3Å; E405-M409 VanDerWaalsContact O-CG 3.31Å; E405-M409 WeakPolarHBondContact O-CG 3.42Å; E405-M409 PolarHBondContact O-N 2.91Å
406	S	98	Very high	97.6	Very high	4 Å²	4	50 Å²	50	3%	0.028	23%	0.226	C	C	.	.	H	α-helix	trans	-53.2	-40.1	175.2	-63.3	0	0	0	0	112.2	H334 V402 I403 R404 R410 L411	H334-S406 PolarHBondContact CD2-OG 3.41Å; H334-S406 PolarHBondContact NE2-N 3.41Å; H334-S406 PolarHBondContact NE2-OG 3.28Å; H334-S406 VanDerWaalsContact NE2-OG 3.13Å; V402-S406 WeakPolarHBondContact O-CB 3.22Å; V402-S406 PolarHBondContact O-N 3.2Å; V402-S406 PolarHBondContact O-OG 2.81Å; I403-S406 WeakPolarHBondContact O-CB 3.46Å; I403-S406 PolarHBondContact O-N 2.86Å; R404-S406 VanDerWaalsContact C-N 3.34Å; R404-S406 PolarHBondContact O-N 3.49Å; S406-R410 PolarHBondContact O-N 3.36Å; S406-L411 PolarHBondContact O-N 3.08Å
407	R	95.8	Very high	97.6	Very high	67 Å²	67	50.5 Å²	50.5	25%	0.253	23%	0.228	S	C	.	.	H	α-helix	trans	-76	-42.5	-179.5	-65.9	169.6	-175.5	-170.6	-0.8	112.4	L122 P123 I403 R404 E405 M409 R410 E453	L122-R407 HydrophobicContact CD1-CG 3.95Å; P123-R407 PolarHBondContact O-NH1 3.13Å; P123-R407 PolarHBondContact O-NH2 3.08Å; I403-R407 WeakPolarHBondContact O-CG 3.41Å; I403-R407 PolarHBondContact O-N 3.47Å; R404-R407 WeakPolarHBondContact O-CB 3.45Å; R404-R407 PolarHBondContact O-N 2.7Å; R404-R407 VanDerWaalsContact O-N 3.16Å; E405-R407 PolarHBondContact O-N 2.89Å; R407-M409 PolarHBondContact O-N 3.45Å; R407-R410 PolarHBondContact O-N 3.34Å; R407-R410 VanDerWaalsContact O-N 3.08Å; R407-E453 VanDerWaalsContact CG-OE2 3.28Å; R407-E453 WeakPolarHBondContact CG-OE2 3.1Å; R407-E453 IonicContact CZ-OE1 3.77Å; R407-E453 IonicContact CZ-OE2 3.48Å; R407-E453 IonicContact NE-OE1 3.03Å; R407-E453 IonicContact NE-OE2 2.69Å; R407-E453 PolarHBondContact NE-OE2 3.28Å; R407-E453 IonicContact NH2-OE1 3.51Å; R407-E453 PolarHBondContact NH2-OE1 2.95Å; R407-E453 IonicContact NH2-OE2 3.04Å; R407-E453 PolarHBondContact NH2-OE2 3.35Å
408	E	96	Very high	97.5	Very high	131 Å²	131	45.9 Å²	45.9	61%	0.612	21%	0.206	S	C	*	.	H	α-helix	trans	-57.6	-42.1	174.5	-176.2	173.1	172	0	0	110.5	R404 E405 R410	R404-E408 PolarHBondContact O-N 3.07Å; E405-E408 PolarHBondContact O-N 2.94Å; E408-R410 VanDerWaalsContact C-N 3.27Å; E408-R410 PolarHBondContact O-N 3.49Å
409	M	96.2	Very high	97.3	Very high	66 Å²	66	47.3 Å²	47.3	33%	0.325	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.3	179	-64.6	-58.8	-39.5	0	0	114.2	P169 M330 E405 R407 L411	P169-M409 HydrophobicContact CB-CG 3.76Å; P169-M409 HydrophobicContact CB-SD 3.55Å; P169-M409 VanDerWaalsContact CB-SD 3.55Å; M330-M409 HydrophobicContact CE-CB 4.15Å; M330-M409 HydrophobicContact CE-CE 3.37Å; M330-M409 HydrophobicContact CE-CG 3.54Å; M330-M409 HydrophobicContact CE-SD 3.66Å; M330-M409 HydrophobicContact SD-CB 3.37Å; M330-M409 WeakPolarHBondContact SD-CB 3.02Å; M330-M409 HydrophobicContact SD-CE 3.88Å; M330-M409 HydrophobicContact SD-CG 3.36Å; M330-M409 WeakPolarHBondContact SD-CG 3.5Å; M330-M409 HydrophobicContact SD-SD 4.21Å; E405-M409 HydrophobicContact CG-CG 4.28Å; E405-M409 WeakPolarHBondContact O-CB 3Å; E405-M409 VanDerWaalsContact O-CG 3.31Å; E405-M409 WeakPolarHBondContact O-CG 3.42Å; E405-M409 PolarHBondContact O-N 2.91Å; R407-M409 PolarHBondContact O-N 3.45Å; M409-L411 VanDerWaalsContact C-N 3.28Å; M409-L411 PolarHBondContact O-N 3.06Å
410	R	95.9	Very high	97	Very high	218 Å²	218	53.5 Å²	53.5	82%	0.823	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	44.4	177.5	-53.8	-179.5	178.1	-164.2	-2.1	112.4	S406 R407 E408	S406-R410 PolarHBondContact O-N 3.36Å; R407-R410 PolarHBondContact O-N 3.34Å; R407-R410 VanDerWaalsContact O-N 3.08Å; E408-R410 VanDerWaalsContact C-N 3.27Å; E408-R410 PolarHBondContact O-N 3.49Å
411	L	97.6	Very high	96.7	Very high	33 Å²	33	55.8 Å²	55.8	17%	0.173	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-54.8	142.2	170.7	-63.2	-174.9	0	0	0	109.4	M330 E331 S406 M409 Y417 F454	M330-L411 HydrophobicContact CG-CD2 4.41Å; M330-L411 HydrophobicContact SD-CD2 4.02Å; E331-L411 HydrophobicContact CG-CD2 4.39Å; S406-L411 PolarHBondContact O-N 3.08Å; M409-L411 VanDerWaalsContact C-N 3.28Å; M409-L411 PolarHBondContact O-N 3.06Å; L411-Y417 HydrophobicContact CB-CE2 4.33Å; L411-Y417 WeakPolarHBondContact CD2-OH 3.38Å; L411-F454 HydrophobicContact CD1-CB 4.42Å; L411-F454 HydrophobicContact CD1-CD1 4.25Å
412	Q	96.1	Very high	96.2	Very high	80 Å²	80	54.5 Å²	54.5	37%	0.374	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-67.9	163.7	177.8	-65.5	-174.8	20.2	0	0	110.8	Y38 E416 Y417	Y38-Q412 VanDerWaalsContact CE1-CD 3.45Å; Y38-Q412 HydrophobicContact CE1-CG 3.77Å; Q412-E416 HydrophobicContact CB-CB 3.97Å; Q412-E416 HydrophobicContact CB-CG 4.43Å; Q412-Y417 HydrophobicContact CB-CD2 4.46Å; Q412-Y417 HydrophobicContact CB-CE2 3.95Å; Q412-Y417 VanDerWaalsContact O-CE2 3.22Å; Q412-Y417 WeakPolarHBondContact O-CE2 3.26Å
413	P	97	Very high	95.9	Very high	24 Å²	24	55 Å²	55	16%	0.156	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-58.1	154.1	173.7	-24.2	34.5	0	0	0	112.7	Y38 N415 E416 Y417 D450 L452	Y38-P413 HydrophobicContact CE2-CG 4.46Å; P413-N415 PolarHBondContact O-N 3.43Å; P413-E416 WeakPolarHBondContact O-CB 3.08Å; P413-E416 PolarHBondContact O-N 3.36Å; P413-Y417 WeakPolarHBondContact O-CD2 3.16Å; P413-Y417 PolarHBondContact O-N 3.44Å; P413-D450 WeakPolarHBondContact CB-O 3.44Å; P413-D450 WeakPolarHBondContact CG-O 3.26Å; P413-L452 CarbonylContact C-O 3.53Å; P413-L452 WeakPolarHBondContact CA-O 3.29Å
414	F	98.5	Very high	95.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.2	-39.6	-178.7	-178.6	-115	0	0	0	112.7	E416 Y417 R418 Y426 L432 L452 F454 L458 S472	F414-E416 VanDerWaalsContact C-N 3.32Å; F414-E416 PolarHBondContact O-N 3.1Å; F414-Y417 WeakPolarHBondContact O-CB 3.2Å; F414-Y417 PolarHBondContact O-N 2.84Å; F414-Y417 VanDerWaalsContact O-N 3.15Å; F414-R418 HydrophobicContact CD1-CG 4.3Å; F414-R418 HydrophobicContact CE1-CG 4.07Å; F414-R418 HydrophobicContact CZ-CG 4.29Å; F414-R418 PolarHBondContact O-N 2.88Å; F414-Y426 HydrophobicContact CD1-CD2 4.45Å; F414-Y426 AromaticContact CE1-CD2 3.91Å; F414-Y426 HydrophobicContact CE1-CD2 3.91Å; F414-Y426 AromaticContact CE1-CE2 3.9Å; F414-Y426 HydrophobicContact CE1-CE2 3.9Å; F414-L432 HydrophobicContact CD1-CD1 4.4Å; F414-L432 HydrophobicContact CE1-CD1 3.73Å; F414-L432 HydrophobicContact CZ-CD1 4.49Å; F414-L452 HydrophobicContact CB-CB 4.48Å; F414-L452 HydrophobicContact CB-CD2 4.36Å; F414-L452 HydrophobicContact CB-CG 4.18Å; F414-L452 WeakPolarHBondContact CB-O 3.02Å; F414-L452 HydrophobicContact CD1-CD2 4.07Å; F414-L452 HydrophobicContact CG-CD2 4.49Å; F414-L452 PolarHBondContact N-O 3.34Å; F414-F454 HydrophobicContact CD2-CD2 4.33Å; F414-L458 HydrophobicContact CE2-CD2 3.91Å; F414-L458 HydrophobicContact CE2-CG 3.99Å; F414-S472 WeakPolarHBondContact CZ-OG 3.26Å
415	N	97.3	Very high	95.4	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-29.7	178.2	-89	-9.3	0	0	0	113.6	P413 R418 K419 P425 Y426 D450	P413-N415 PolarHBondContact O-N 3.43Å; N415-R418 PolarHBondContact O-N 3.11Å; N415-K419 WeakPolarHBondContact O-CG 3.34Å; N415-K419 PolarHBondContact O-N 2.92Å; N415-P425 HydrophobicContact CB-CB 3.84Å; N415-P425 WeakPolarHBondContact OD1-CA 3.18Å; N415-Y426 PolarHBondContact ND2-O 2.88Å; N415-Y426 PolarHBondContact OD1-N 2.81Å; N415-D450 WeakPolarHBondContact CB-OD1 3.19Å; N415-D450 PolarHBondContact ND2-OD1 3.19Å
416	E	97.3	Very high	95.3	Very high	27 Å²	27	56.2 Å²	56.2	13%	0.126	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-37.5	173.1	-64.7	-51.8	126.7	0	0	111.2	Y38 Q412 P413 F414 K419 R420	Y38-E416 HydrophobicContact CD2-CG 3.82Å; Y38-E416 HydrophobicContact CE2-CG 4.1Å; Y38-E416 HydrophobicContact CG-CG 4.04Å; Q412-E416 HydrophobicContact CB-CB 3.97Å; Q412-E416 HydrophobicContact CB-CG 4.43Å; P413-E416 WeakPolarHBondContact O-CB 3.08Å; P413-E416 PolarHBondContact O-N 3.36Å; F414-E416 VanDerWaalsContact C-N 3.32Å; F414-E416 PolarHBondContact O-N 3.1Å; E416-K419 PolarHBondContact O-N 3.08Å; E416-K419 IonicContact OE1-NZ 3.77Å; E416-K419 PolarHBondContact OE1-NZ 3.44Å; E416-K419 IonicContact OE2-NZ 2.81Å; E416-R420 WeakPolarHBondContact O-CB 3.44Å; E416-R420 PolarHBondContact O-N 3.15Å
417	Y	98.1	Very high	95	Very high	21 Å²	21	61.5 Å²	61.5	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-66.2	-40.4	170.6	-72.8	-72.5	0	0	0	111.9	E331 L411 Q412 P413 F414 K419 R420 F421 F454	E331-Y417 HydrophobicContact CG-CD1 4.33Å; E331-Y417 HydrophobicContact CG-CE1 3.45Å; E331-Y417 VanDerWaalsContact CG-CE1 3.45Å; E331-Y417 WeakPolarHBondContact CG-OH 2.9Å; E331-Y417 WeakPolarHBondContact OE1-CE1 3.41Å; E331-Y417 PolarHBondContact OE1-OH 3.47Å; L411-Y417 HydrophobicContact CB-CE2 4.33Å; L411-Y417 WeakPolarHBondContact CD2-OH 3.38Å; Q412-Y417 HydrophobicContact CB-CD2 4.46Å; Q412-Y417 HydrophobicContact CB-CE2 3.95Å; Q412-Y417 VanDerWaalsContact O-CE2 3.22Å; Q412-Y417 WeakPolarHBondContact O-CE2 3.26Å; P413-Y417 WeakPolarHBondContact O-CD2 3.16Å; P413-Y417 PolarHBondContact O-N 3.44Å; F414-Y417 WeakPolarHBondContact O-CB 3.2Å; F414-Y417 PolarHBondContact O-N 2.84Å; F414-Y417 VanDerWaalsContact O-N 3.15Å; Y417-K419 PolarHBondContact O-N 3.16Å; Y417-R420 WeakPolarHBondContact O-CB 3.44Å; Y417-R420 PolarHBondContact O-N 3.12Å; Y417-R420 VanDerWaalsContact O-N 3.15Å; Y417-F421 HydrophobicContact CD1-CE2 4.42Å; Y417-F421 WeakPolarHBondContact O-CD2 3.44Å; Y417-F421 PolarHBondContact O-N 2.98Å; Y417-F454 HydrophobicContact CD1-CD2 4.36Å; Y417-F454 HydrophobicContact CD1-CE2 4.15Å; Y417-F454 HydrophobicContact CD2-CB 4.25Å; Y417-F454 AromaticContact CD2-CD2 3.37Å; Y417-F454 HydrophobicContact CD2-CD2 3.37Å; Y417-F454 AromaticContact CD2-CE2 3.99Å; Y417-F454 HydrophobicContact CD2-CE2 3.99Å; Y417-F454 HydrophobicContact CD2-CG 4.1Å; Y417-F454 HydrophobicContact CE2-CB 4.25Å; Y417-F454 AromaticContact CE2-CD2 3.89Å; Y417-F454 HydrophobicContact CE2-CD2 3.89Å; Y417-F454 HydrophobicContact CE2-CG 4.22Å; Y417-F454 AromaticContact CG-CD2 3.62Å; Y417-F454 HydrophobicContact CG-CD2 3.62Å; Y417-F454 AromaticContact CG-CE2 3.75Å; Y417-F454 HydrophobicContact CG-CE2 3.75Å
418	R	97.6	Very high	94.7	Very high	8 Å²	8	60.3 Å²	60.3	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-48.8	173.8	-71.9	-174.7	63.4	82.2	-0.6	111.5	F414 N415 R420 F421 G422 M423 K424 Y426 E461 E471 S472	F414-R418 HydrophobicContact CD1-CG 4.3Å; F414-R418 HydrophobicContact CE1-CG 4.07Å; F414-R418 HydrophobicContact CZ-CG 4.29Å; F414-R418 PolarHBondContact O-N 2.88Å; N415-R418 PolarHBondContact O-N 3.11Å; R418-R420 PolarHBondContact O-N 3.49Å; R418-F421 CarbonylContact O-C 3.59Å; R418-F421 PolarHBondContact O-N 2.79Å; R418-G422 PolarHBondContact O-N 3.01Å; R418-M423 CarbonylContact C-O 3.49Å; R418-M423 HydrophobicContact CB-CB 4.05Å; R418-M423 HydrophobicContact CG-CE 4.32Å; R418-M423 WeakPolarHBondContact O-CA 3.23Å; R418-M423 WeakPolarHBondContact O-CB 3.32Å; R418-M423 PolarHBondContact O-N 3.42Å; R418-K424 VanDerWaalsContact CZ-O 3.3Å; R418-K424 PolarHBondContact NE-O 3.46Å; R418-K424 PolarHBondContact NH2-O 3.46Å; R418-Y426 VanDerWaalsContact CZ-CE2 3.42Å; R418-E461 IonicContact NH1-OE1 2.85Å; R418-E461 PolarHBondContact NH1-OE1 3.25Å; R418-E471 IonicContact CZ-OE2 3.32Å; R418-E471 IonicContact NH1-OE2 3.85Å; R418-E471 PolarHBondContact NH1-OE2 2.88Å; R418-E471 IonicContact NH2-OE2 2.68Å; R418-E471 PolarHBondContact NH2-OE2 2.75Å; R418-S472 PolarHBondContact NH1-OG 3.36Å
419	K	92.6	Very high	94.5	Very high	67 Å²	67	54.2 Å²	54.2	29%	0.291	27%	0.268	S	S	.	.	H	α-helix	trans	-58.6	-45.2	174.9	-67.5	168.8	-166.8	168.3	0	111.7	N415 E416 Y417 F421 G422 P425	N415-K419 WeakPolarHBondContact O-CG 3.34Å; N415-K419 PolarHBondContact O-N 2.92Å; E416-K419 PolarHBondContact O-N 3.08Å; E416-K419 IonicContact OE1-NZ 3.77Å; E416-K419 PolarHBondContact OE1-NZ 3.44Å; E416-K419 IonicContact OE2-NZ 2.81Å; Y417-K419 PolarHBondContact O-N 3.16Å; K419-F421 PolarHBondContact O-N 3.08Å; K419-G422 PolarHBondContact O-N 2.54Å; K419-G422 VanDerWaalsContact O-N 3.07Å; K419-P425 HydrophobicContact CG-CB 4.49Å; K419-P425 HydrophobicContact CG-CG 4.37Å
420	R	93.1	Very high	94.5	Very high	129 Å²	129	56.1 Å²	56.1	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-57.3	-38.3	-179.4	177.8	62.4	-176.7	-170.1	7.1	112.5	Q43 E416 Y417 R418	Q43-R420 VanDerWaalsContact CB-NH1 3.34Å; Q43-R420 PolarHBondContact NE2-O 3Å; E416-R420 WeakPolarHBondContact O-CB 3.44Å; E416-R420 PolarHBondContact O-N 3.15Å; Y417-R420 WeakPolarHBondContact O-CB 3.44Å; Y417-R420 PolarHBondContact O-N 3.12Å; Y417-R420 VanDerWaalsContact O-N 3.15Å; R418-R420 PolarHBondContact O-N 3.49Å
421	F	92.7	Very high	94.4	Very high	50 Å²	50	49.2 Å²	49.2	22%	0.219	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	16.3	-179.7	-73.2	-93.2	0	0	0	113.4	Y417 R418 K419 M423 E475 I476 P479 F480	Y417-F421 HydrophobicContact CD1-CE2 4.42Å; Y417-F421 WeakPolarHBondContact O-CD2 3.44Å; Y417-F421 PolarHBondContact O-N 2.98Å; R418-F421 CarbonylContact O-C 3.59Å; R418-F421 PolarHBondContact O-N 2.79Å; K419-F421 PolarHBondContact O-N 3.08Å; F421-M423 VanDerWaalsContact C-N 3.29Å; F421-M423 HydrophobicContact CB-CE 3.75Å; F421-M423 PolarHBondContact O-N 3.28Å; F421-E475 WeakPolarHBondContact CD1-O 3.1Å; F421-I476 HydrophobicContact CB-CG1 4.15Å; F421-I476 HydrophobicContact CD1-CB 4.41Å; F421-I476 HydrophobicContact CD1-CG1 4.26Å; F421-I476 HydrophobicContact CD2-CB 4.46Å; F421-I476 HydrophobicContact CD2-CG1 3.78Å; F421-I476 HydrophobicContact CD2-CG2 4.29Å; F421-I476 HydrophobicContact CE1-CB 4.43Å; F421-I476 HydrophobicContact CE1-CG2 4.17Å; F421-I476 HydrophobicContact CE2-CB 4.49Å; F421-I476 HydrophobicContact CE2-CG1 4.23Å; F421-I476 HydrophobicContact CE2-CG2 3.87Å; F421-I476 HydrophobicContact CG-CB 4.42Å; F421-I476 HydrophobicContact CG-CG1 3.8Å; F421-I476 HydrophobicContact CZ-CB 4.48Å; F421-I476 HydrophobicContact CZ-CG2 3.8Å; F421-P479 HydrophobicContact CD1-CG 4.28Å; F421-P479 HydrophobicContact CE1-CB 4.37Å; F421-P479 HydrophobicContact CE1-CG 4.25Å; F421-F480 HydrophobicContact CE1-CE2 4.4Å; F421-F480 AromaticContact CZ-CE2 3.74Å; F421-F480 HydrophobicContact CZ-CE2 3.74Å; F421-F480 AromaticContact CZ-CZ 3.88Å; F421-F480 HydrophobicContact CZ-CZ 3.88Å
422	G	86.6	Confident	94.3	Very high	53 Å²	53	47.6 Å²	47.6	55%	0.546	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	12.5	171.5	0	0	0	0	0	115.1	R418 K419	R418-G422 PolarHBondContact O-N 3.01Å; K419-G422 PolarHBondContact O-N 2.54Å; K419-G422 VanDerWaalsContact O-N 3.07Å
423	M	94	Very high	94.4	Very high	18 Å²	18	44.5 Å²	44.5	9%	0.089	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-89.5	158.4	173.1	-64.7	175.3	-86	0	0	111	R418 F421 E471 E475 I476	R418-M423 CarbonylContact C-O 3.49Å; R418-M423 HydrophobicContact CB-CB 4.05Å; R418-M423 HydrophobicContact CG-CE 4.32Å; R418-M423 WeakPolarHBondContact O-CA 3.23Å; R418-M423 WeakPolarHBondContact O-CB 3.32Å; R418-M423 PolarHBondContact O-N 3.42Å; F421-M423 VanDerWaalsContact C-N 3.29Å; F421-M423 HydrophobicContact CB-CE 3.75Å; F421-M423 PolarHBondContact O-N 3.28Å; M423-E471 HydrophobicContact SD-CG 4.06Å; M423-E475 HydrophobicContact CE-CB 3.68Å; M423-E475 HydrophobicContact CG-CB 4.18Å; M423-E475 HydrophobicContact CG-CG 4.21Å; M423-E475 HydrophobicContact SD-CB 3.65Å; M423-E475 HydrophobicContact SD-CG 3.93Å; M423-I476 HydrophobicContact CE-CD1 3.99Å; M423-I476 HydrophobicContact CE-CG1 3.71Å
424	K	92	Very high	94.2	Very high	122 Å²	122	45.9 Å²	45.9	53%	0.53	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-77.8	133.9	171.5	-67.4	-177.8	178.9	179.2	0	109.4	P83 R418	P83-K424 PolarHBondContact O-NZ 3.23Å; R418-K424 VanDerWaalsContact CZ-O 3.3Å; R418-K424 PolarHBondContact NE-O 3.46Å; R418-K424 PolarHBondContact NH2-O 3.46Å
425	P	94.1	Very high	94	Very high	48 Å²	48	49.4 Å²	49.4	31%	0.312	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-62	146.8	172.6	28.5	-34.7	0	0	0	110.2	N415 K419	N415-P425 HydrophobicContact CB-CB 3.84Å; N415-P425 WeakPolarHBondContact OD1-CA 3.18Å; K419-P425 HydrophobicContact CG-CB 4.49Å; K419-P425 HydrophobicContact CG-CG 4.37Å
426	Y	95.1	Very high	93.8	Very high	14 Å²	14	56.8 Å²	56.8	6%	0.055	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-72.1	141	174.2	-76.2	-61.2	0	0	0	110.7	F414 N415 R418 E431 L432 I449 E461	F414-Y426 HydrophobicContact CD1-CD2 4.45Å; F414-Y426 AromaticContact CE1-CD2 3.91Å; F414-Y426 HydrophobicContact CE1-CD2 3.91Å; F414-Y426 AromaticContact CE1-CE2 3.9Å; F414-Y426 HydrophobicContact CE1-CE2 3.9Å; N415-Y426 PolarHBondContact ND2-O 2.88Å; N415-Y426 PolarHBondContact OD1-N 2.81Å; R418-Y426 VanDerWaalsContact CZ-CE2 3.42Å; Y426-E431 HydrophobicContact CD1-CB 3.99Å; Y426-E431 HydrophobicContact CD1-CG 3.65Å; Y426-E431 HydrophobicContact CE1-CG 4.03Å; Y426-L432 HydrophobicContact CD1-CB 4.49Å; Y426-L432 HydrophobicContact CD2-CB 4.06Å; Y426-L432 HydrophobicContact CD2-CD1 3.52Å; Y426-L432 HydrophobicContact CD2-CG 4.41Å; Y426-L432 HydrophobicContact CE2-CB 4.35Å; Y426-L432 HydrophobicContact CE2-CD1 3.41Å; Y426-L432 VanDerWaalsContact CE2-CD1 3.41Å; Y426-L432 HydrophobicContact CE2-CG 4.49Å; Y426-L432 HydrophobicContact CG-CB 4.13Å; Y426-L432 HydrophobicContact CG-CD1 4.41Å; Y426-I449 WeakPolarHBondContact O-CG2 3.47Å; Y426-E461 HydrophobicContact CE2-CG 4.31Å; Y426-E461 WeakPolarHBondContact CE2-OE1 3.32Å; Y426-E461 PolarHBondContact OH-OE1 3.29Å; Y426-E461 VanDerWaalsContact OH-OE1 3.08Å
427	T	90.9	Very high	93.7	Very high	115 Å²	115	60.5 Å²	60.5	71%	0.706	32%	0.316	S	S	*	.	S	Bend	trans	-94.8	-14.2	-178.5	61.1	0	0	0	0	113.5	E431	T427-E431 PolarHBondContact N-OE2 3.43Å; T427-E431 PolarHBondContact OG1-OE2 3.17Å
428	S	90.2	Very high	93.6	Very high	42 Å²	42	59.9 Å²	59.9	29%	0.294	31%	0.314	S	S	.	.	S	Bend	trans	-158	159.4	177	62.6	0	0	0	0	111.2	Q430 E431 L432	S428-Q430 PolarHBondContact O-N 3.04Å; S428-E431 PolarHBondContact O-N 2.87Å; S428-E431 PolarHBondContact OG-N 3.31Å; S428-E431 VanDerWaalsContact OG-N 3.17Å; S428-L432 PolarHBondContact O-N 3.18Å
429	F	92.7	Very high	93.4	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.013	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-32.2	171.4	-68.3	-79.7	0	0	0	112.1	E431 L432 V433 A439 L442 E443 Y446 D448 I449 L452	F429-E431 VanDerWaalsContact C-N 3.31Å; F429-E431 PolarHBondContact O-N 2.86Å; F429-L432 HydrophobicContact CD1-CD2 4.33Å; F429-L432 WeakPolarHBondContact O-CB 3.32Å; F429-L432 PolarHBondContact O-N 3.25Å; F429-V433 VanDerWaalsContact O-CG2 3.23Å; F429-V433 WeakPolarHBondContact O-CG2 3.44Å; F429-V433 PolarHBondContact O-N 2.86Å; F429-A439 HydrophobicContact CB-CB 3.95Å; F429-L442 HydrophobicContact CB-CB 4.34Å; F429-L442 HydrophobicContact CD1-CB 3.5Å; F429-L442 VanDerWaalsContact CD1-CB 3.5Å; F429-L442 HydrophobicContact CD1-CD1 4Å; F429-L442 HydrophobicContact CD1-CG 4.36Å; F429-L442 HydrophobicContact CE1-CB 3.88Å; F429-L442 HydrophobicContact CG-CB 3.89Å; F429-E443 HydrophobicContact CD2-CB 3.66Å; F429-E443 HydrophobicContact CD2-CG 4.18Å; F429-E443 HydrophobicContact CE2-CB 4.17Å; F429-E443 HydrophobicContact CG-CB 4.48Å; F429-Y446 HydrophobicContact CE1-CD2 4.23Å; F429-Y446 HydrophobicContact CZ-CD2 4.29Å; F429-Y446 HydrophobicContact CZ-CG 4.21Å; F429-D448 WeakPolarHBondContact CZ-O 3.21Å; F429-I449 HydrophobicContact CD1-CD1 3.72Å; F429-I449 HydrophobicContact CD2-CD1 4.42Å; F429-I449 HydrophobicContact CE1-CD1 3.76Å; F429-I449 HydrophobicContact CE2-CB 4.24Å; F429-I449 HydrophobicContact CE2-CD1 4.45Å; F429-I449 HydrophobicContact CG-CD1 4.07Å; F429-I449 HydrophobicContact CZ-CB 4.42Å; F429-I449 HydrophobicContact CZ-CD1 4.13Å; F429-L452 HydrophobicContact CE1-CB 4.18Å; F429-L452 HydrophobicContact CE1-CD1 4.23Å; F429-L452 HydrophobicContact CE1-CD2 4.28Å; F429-L452 HydrophobicContact CE1-CG 4.47Å
430	Q	94.7	Very high	93.3	Very high	105 Å²	105	59.1 Å²	59.1	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-36.8	176.4	-168.8	-178.2	-6.7	0	0	112	S428 G434 A439	S428-Q430 PolarHBondContact O-N 3.04Å; Q430-G434 WeakPolarHBondContact O-CA 3.31Å; Q430-G434 PolarHBondContact O-N 3.15Å; Q430-A439 HydrophobicContact CB-CB 4.05Å
431	E	93.6	Very high	93.3	Very high	73 Å²	73	54.7 Å²	54.7	34%	0.341	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-40.2	175.2	-166.3	-172.4	170.9	0	0	112	Y426 T427 S428 F429 K462	Y426-E431 HydrophobicContact CD1-CB 3.99Å; Y426-E431 HydrophobicContact CD1-CG 3.65Å; Y426-E431 HydrophobicContact CE1-CG 4.03Å; T427-E431 PolarHBondContact N-OE2 3.43Å; T427-E431 PolarHBondContact OG1-OE2 3.17Å; S428-E431 PolarHBondContact O-N 2.87Å; S428-E431 PolarHBondContact OG-N 3.31Å; S428-E431 VanDerWaalsContact OG-N 3.17Å; F429-E431 VanDerWaalsContact C-N 3.31Å; F429-E431 PolarHBondContact O-N 2.86Å; E431-K462 PolarHBondContact O-NZ 3.32Å
432	L	97.2	Very high	93.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-58.5	178	171	77.7	0	0	0	111.9	F414 Y426 S428 F429 I449 L452 E461 K462	F414-L432 HydrophobicContact CD1-CD1 4.4Å; F414-L432 HydrophobicContact CE1-CD1 3.73Å; F414-L432 HydrophobicContact CZ-CD1 4.49Å; Y426-L432 HydrophobicContact CD1-CB 4.49Å; Y426-L432 HydrophobicContact CD2-CB 4.06Å; Y426-L432 HydrophobicContact CD2-CD1 3.52Å; Y426-L432 HydrophobicContact CD2-CG 4.41Å; Y426-L432 HydrophobicContact CE2-CB 4.35Å; Y426-L432 HydrophobicContact CE2-CD1 3.41Å; Y426-L432 VanDerWaalsContact CE2-CD1 3.41Å; Y426-L432 HydrophobicContact CE2-CG 4.49Å; Y426-L432 HydrophobicContact CG-CB 4.13Å; Y426-L432 HydrophobicContact CG-CD1 4.41Å; S428-L432 PolarHBondContact O-N 3.18Å; F429-L432 HydrophobicContact CD1-CD2 4.33Å; F429-L432 WeakPolarHBondContact O-CB 3.32Å; F429-L432 PolarHBondContact O-N 3.25Å; L432-I449 HydrophobicContact CD2-CD1 4.39Å; L432-L452 HydrophobicContact CD1-CD2 4.42Å; L432-L452 HydrophobicContact CD2-CD2 3.33Å; L432-L452 HydrophobicContact CG-CD2 4.49Å; L432-E461 HydrophobicContact CD1-CB 3.91Å; L432-E461 HydrophobicContact CD1-CG 4.12Å; L432-K462 WeakPolarHBondContact O-CG 3.38Å; L432-K462 PolarHBondContact O-N 2.89Å
433	V	96.9	Very high	93.4	Very high	14 Å²	14	55.2 Å²	55.2	9%	0.085	30%	0.296	C	S	.	.	H	α-helix	trans	-85.9	-21	-171	-58.2	0	0	0	0	113.1	F429 E435 M438 A439 L442 L460	F429-V433 VanDerWaalsContact O-CG2 3.23Å; F429-V433 WeakPolarHBondContact O-CG2 3.44Å; F429-V433 PolarHBondContact O-N 2.86Å; V433-E435 HydrophobicContact CB-CG 4.38Å; V433-E435 HydrophobicContact CG2-CG 3.92Å; V433-E435 WeakPolarHBondContact CG2-O 3.36Å; V433-E435 PolarHBondContact O-N 3.21Å; V433-M438 HydrophobicContact CB-SD 4.31Å; V433-M438 HydrophobicContact CG1-CG 4.19Å; V433-M438 HydrophobicContact CG1-SD 3.81Å; V433-M438 HydrophobicContact CG2-CB 4.43Å; V433-A439 HydrophobicContact CG2-CB 3.73Å; V433-L442 HydrophobicContact CG1-CD1 3.85Å; V433-L460 HydrophobicContact CG1-CB 4.33Å
434	G	93.9	Very high	93	Very high	53 Å²	53	61.4 Å²	61.4	55%	0.546	33%	0.325	S	S	.	.	S	Bend	trans	74.6	6.5	-178.8	0	0	0	0	0	115.1	Q430	Q430-G434 WeakPolarHBondContact O-CA 3.31Å; Q430-G434 PolarHBondContact O-N 3.15Å
435	E	93.2	Very high	92.9	Very high	74 Å²	74	57.3 Å²	57.3	35%	0.346	31%	0.308	S	S	.	.	S	Bend	trans	-136.1	168.3	176	63.4	149.5	-135.3	0	0	112.3	V433 M438 A439	V433-E435 HydrophobicContact CB-CG 4.38Å; V433-E435 HydrophobicContact CG2-CG 3.92Å; V433-E435 WeakPolarHBondContact CG2-O 3.36Å; V433-E435 PolarHBondContact O-N 3.21Å; E435-M438 HydrophobicContact CG-CB 4.27Å; E435-M438 WeakPolarHBondContact OE1-CB 3.46Å; E435-M438 PolarHBondContact OE1-N 2.76Å; E435-A439 WeakPolarHBondContact O-CB 3.29Å
436	K	93.9	Very high	92.6	Very high	157 Å²	157	55.2 Å²	55.2	68%	0.683	29%	0.294	S	S	*	.	S	Bend	trans	-93.1	-36.3	-173.1	-66.4	-174.8	179	-177.1	0	114.4	A440	K436-A440 WeakPolarHBondContact O-CB 3.35Å; K436-A440 PolarHBondContact O-N 3.38Å; K436-A440 VanDerWaalsContact O-N 3.08Å
437	E	94.5	Very high	92	Very high	104 Å²	104	56.5 Å²	56.5	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-67.2	-58.7	-172.9	-174	-167.7	125.6	0	0	110.9	R389 A439 A440 E441	R389-E437 IonicContact CZ-OE1 2.86Å; R389-E437 IonicContact NH1-OE1 3.01Å; R389-E437 PolarHBondContact NH1-OE1 3.38Å; R389-E437 IonicContact NH2-OE1 3.75Å; R389-E437 PolarHBondContact NH2-OE1 2.89Å; E437-A439 VanDerWaalsContact C-N 3.27Å; E437-A439 PolarHBondContact O-N 3.26Å; E437-A440 PolarHBondContact O-N 2.83Å; E437-E441 PolarHBondContact O-N 2.93Å
438	M	95.8	Very high	91.7	Very high	8 Å²	8	54 Å²	54	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-36.7	177.1	-177.1	-179.1	-47.9	0	0	112.2	F132 R389 V433 E435 E441 L442 L460	F132-M438 HydrophobicContact CD1-CG 3.62Å; F132-M438 HydrophobicContact CD1-SD 4.29Å; F132-M438 HydrophobicContact CE1-CG 3.86Å; R389-M438 HydrophobicContact CG-CE 4.3Å; V433-M438 HydrophobicContact CB-SD 4.31Å; V433-M438 HydrophobicContact CG1-CG 4.19Å; V433-M438 HydrophobicContact CG1-SD 3.81Å; V433-M438 HydrophobicContact CG2-CB 4.43Å; E435-M438 HydrophobicContact CG-CB 4.27Å; E435-M438 WeakPolarHBondContact OE1-CB 3.46Å; E435-M438 PolarHBondContact OE1-N 2.76Å; M438-E441 PolarHBondContact O-N 2.86Å; M438-L442 HydrophobicContact CG-CD1 3.79Å; M438-L442 HydrophobicContact CG-CG 4.21Å; M438-L442 WeakPolarHBondContact O-CB 3.43Å; M438-L442 VanDerWaalsContact O-CG 3.26Å; M438-L442 WeakPolarHBondContact O-CG 3.43Å; M438-L442 PolarHBondContact O-N 2.99Å; M438-L442 HydrophobicContact SD-CD1 4.42Å; M438-L460 HydrophobicContact SD-CB 4.35Å; M438-L460 HydrophobicContact SD-CD2 3.9Å; M438-L460 HydrophobicContact SD-CG 4.49Å
439	A	94.1	Very high	91.7	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-47.9	178.5	0	0	0	0	0	112.3	F429 Q430 V433 E435 E437 E441 L442 E443	F429-A439 HydrophobicContact CB-CB 3.95Å; Q430-A439 HydrophobicContact CB-CB 4.05Å; V433-A439 HydrophobicContact CG2-CB 3.73Å; E435-A439 WeakPolarHBondContact O-CB 3.29Å; E437-A439 VanDerWaalsContact C-N 3.27Å; E437-A439 PolarHBondContact O-N 3.26Å; A439-E441 PolarHBondContact O-N 3.37Å; A439-L442 PolarHBondContact O-N 3Å; A439-E443 WeakPolarHBondContact O-CB 3.15Å; A439-E443 PolarHBondContact O-N 3.05Å
440	A	90.3	Very high	91.7	Very high	56 Å²	56	56.2 Å²	56.2	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-40.4	-179.4	0	0	0	0	0	111.8	K436 E437 E443 E444	K436-A440 WeakPolarHBondContact O-CB 3.35Å; K436-A440 PolarHBondContact O-N 3.38Å; K436-A440 VanDerWaalsContact O-N 3.08Å; E437-A440 PolarHBondContact O-N 2.83Å; A440-E443 PolarHBondContact O-N 3.31Å; A440-E444 WeakPolarHBondContact O-CB 3.39Å; A440-E444 PolarHBondContact O-N 3.01Å
441	E	93.4	Very high	91.5	Very high	35 Å²	35	52.5 Å²	52.5	16%	0.164	29%	0.29	C	S	.	.	H	α-helix	trans	-67.8	-38.8	176.8	-64.2	-172.2	169.3	0	0	112.3	R131 F132 E437 M438 A439 E444 L445	R131-E441 WeakPolarHBondContact CG-OE2 3.36Å; R131-E441 IonicContact CZ-OE1 2.78Å; R131-E441 IonicContact CZ-OE2 2.68Å; R131-E441 VanDerWaalsContact NE-CD 3.34Å; R131-E441 IonicContact NE-OE1 2.85Å; R131-E441 PolarHBondContact NE-OE1 3.44Å; R131-E441 IonicContact NE-OE2 3.35Å; R131-E441 PolarHBondContact NE-OE2 3.29Å; R131-E441 VanDerWaalsContact NH2-CD 3.27Å; R131-E441 IonicContact NH2-OE1 2.71Å; R131-E441 PolarHBondContact NH2-OE1 3.04Å; R131-E441 IonicContact NH2-OE2 3.84Å; F132-E441 HydrophobicContact CE1-CB 3.84Å; F132-E441 WeakPolarHBondContact CE1-OE2 3.29Å; F132-E441 HydrophobicContact CZ-CB 3.71Å; E437-E441 PolarHBondContact O-N 2.93Å; M438-E441 PolarHBondContact O-N 2.86Å; A439-E441 PolarHBondContact O-N 3.37Å; E441-E444 PolarHBondContact O-N 2.9Å; E441-L445 WeakPolarHBondContact O-CB 3.19Å; E441-L445 VanDerWaalsContact O-CG 3.26Å; E441-L445 WeakPolarHBondContact O-CG 3.16Å; E441-L445 PolarHBondContact O-N 3.38Å
442	L	93.3	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-41.3	175.2	-73.3	170.4	0	0	0	111.6	F132 F429 V433 M438 A439 L445 Y446 L460	F132-L442 HydrophobicContact CD1-CD2 4.42Å; F132-L442 HydrophobicContact CD1-CG 4.5Å; F132-L442 HydrophobicContact CD2-CD2 3.88Å; F132-L442 HydrophobicContact CE1-CD2 4.2Å; F132-L442 HydrophobicContact CE1-CG 4.08Å; F132-L442 HydrophobicContact CE2-CD2 3.65Å; F132-L442 HydrophobicContact CE2-CG 4.36Å; F132-L442 HydrophobicContact CG-CD2 4.25Å; F132-L442 HydrophobicContact CZ-CD2 3.81Å; F132-L442 HydrophobicContact CZ-CG 4Å; F429-L442 HydrophobicContact CB-CB 4.34Å; F429-L442 HydrophobicContact CD1-CB 3.5Å; F429-L442 VanDerWaalsContact CD1-CB 3.5Å; F429-L442 HydrophobicContact CD1-CD1 4Å; F429-L442 HydrophobicContact CD1-CG 4.36Å; F429-L442 HydrophobicContact CE1-CB 3.88Å; F429-L442 HydrophobicContact CG-CB 3.89Å; V433-L442 HydrophobicContact CG1-CD1 3.85Å; M438-L442 HydrophobicContact CG-CD1 3.79Å; M438-L442 HydrophobicContact CG-CG 4.21Å; M438-L442 WeakPolarHBondContact O-CB 3.43Å; M438-L442 VanDerWaalsContact O-CG 3.26Å; M438-L442 WeakPolarHBondContact O-CG 3.43Å; M438-L442 PolarHBondContact O-N 2.99Å; M438-L442 HydrophobicContact SD-CD1 4.42Å; A439-L442 PolarHBondContact O-N 3Å; L442-L445 PolarHBondContact O-N 3.03Å; L442-Y446 HydrophobicContact CD2-CD2 4.25Å; L442-Y446 HydrophobicContact CD2-CE2 4.13Å; L442-Y446 WeakPolarHBondContact O-CB 3.34Å; L442-Y446 PolarHBondContact O-N 3.33Å; L442-L460 HydrophobicContact CD1-CD1 3.96Å; L442-L460 HydrophobicContact CD2-CD1 3.89Å
443	E	88.2	Confident	91.8	Very high	114 Å²	114	49.8 Å²	49.8	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-43.6	174.9	-172.2	169.4	-158.3	0	0	111.1	F429 A439 A440 L445 G447	F429-E443 HydrophobicContact CD2-CB 3.66Å; F429-E443 HydrophobicContact CD2-CG 4.18Å; F429-E443 HydrophobicContact CE2-CB 4.17Å; F429-E443 HydrophobicContact CG-CB 4.48Å; A439-E443 WeakPolarHBondContact O-CB 3.15Å; A439-E443 PolarHBondContact O-N 3.05Å; A440-E443 PolarHBondContact O-N 3.31Å; E443-L445 VanDerWaalsContact C-N 3.29Å; E443-L445 PolarHBondContact O-N 3.44Å; E443-G447 WeakPolarHBondContact O-CA 3.47Å; E443-G447 PolarHBondContact O-N 3.15Å
444	E	85.3	Confident	91.9	Very high	149 Å²	149	49.1 Å²	49.1	70%	0.696	27%	0.273	S	S	*	.	H	α-helix	trans	-59.4	-41.2	173.4	-173.2	-173.6	167	0	0	111.3	K119 A440 E441	K119-E444 WeakPolarHBondContact CE-O 3.25Å; K119-E444 PolarHBondContact NZ-O 3.4Å; A440-E444 WeakPolarHBondContact O-CB 3.39Å; A440-E444 PolarHBondContact O-N 3.01Å; E441-E444 PolarHBondContact O-N 2.9Å
445	L	89.5	Confident	92.1	Very high	36 Å²	36	46.7 Å²	46.7	19%	0.188	25%	0.248	C	C	.	.	H	α-helix	trans	-76.1	-53.5	-176.3	-73.9	171.3	0	0	0	113.1	K119 P123 L127 L128 F132 E441 L442 E443	K119-L445 WeakPolarHBondContact CD-O 3.27Å; K119-L445 WeakPolarHBondContact CE-O 3.37Å; K119-L445 PolarHBondContact NZ-O 3.31Å; P123-L445 HydrophobicContact CB-CB 4.26Å; P123-L445 HydrophobicContact CG-CB 3.93Å; L127-L445 HydrophobicContact CD2-CD2 3.96Å; L128-L445 HydrophobicContact CD2-CD1 4.23Å; F132-L445 HydrophobicContact CE2-CD1 3.46Å; F132-L445 VanDerWaalsContact CE2-CD1 3.46Å; F132-L445 HydrophobicContact CZ-CD1 3.76Å; E441-L445 WeakPolarHBondContact O-CB 3.19Å; E441-L445 VanDerWaalsContact O-CG 3.26Å; E441-L445 WeakPolarHBondContact O-CG 3.16Å; E441-L445 PolarHBondContact O-N 3.38Å; L442-L445 PolarHBondContact O-N 3.03Å; E443-L445 VanDerWaalsContact C-N 3.29Å; E443-L445 PolarHBondContact O-N 3.44Å
446	Y	88.4	Confident	92.3	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-83	-29	-175.8	-80.4	-78.1	0	0	0	113.2	L122 P123 L128 F429 L442 D448 A451 L452 E453	L122-Y446 HydrophobicContact CD2-CE1 4.32Å; P123-Y446 HydrophobicContact CG-CD1 3.9Å; P123-Y446 HydrophobicContact CG-CD2 4.11Å; P123-Y446 HydrophobicContact CG-CE1 3.85Å; P123-Y446 HydrophobicContact CG-CE2 4.08Å; P123-Y446 HydrophobicContact CG-CG 4.02Å; L128-Y446 HydrophobicContact CD1-CE2 4.47Å; L128-Y446 WeakPolarHBondContact CD1-OH 3.34Å; L128-Y446 HydrophobicContact CD2-CE2 3.81Å; F429-Y446 HydrophobicContact CE1-CD2 4.23Å; F429-Y446 HydrophobicContact CZ-CD2 4.29Å; F429-Y446 HydrophobicContact CZ-CG 4.21Å; L442-Y446 HydrophobicContact CD2-CD2 4.25Å; L442-Y446 HydrophobicContact CD2-CE2 4.13Å; L442-Y446 WeakPolarHBondContact O-CB 3.34Å; L442-Y446 PolarHBondContact O-N 3.33Å; Y446-D448 PolarHBondContact O-N 3.45Å; Y446-D448 VanDerWaalsContact O-N 3.1Å; Y446-A451 WeakPolarHBondContact CD1-O 3.33Å; Y446-L452 HydrophobicContact CD2-CD1 4.26Å; Y446-L452 HydrophobicContact CE2-CD1 3.8Å; Y446-E453 HydrophobicContact CE1-CG 4.05Å; Y446-E453 PolarHBondContact OH-OE1 3.12Å
447	G	82	Confident	92.5	Very high	41 Å²	41	35.9 Å²	35.9	42%	0.423	20%	0.199	S	C	.	.	S	Bend	trans	78.8	-37.5	-175.6	0	0	0	0	0	114.2	E443	E443-G447 WeakPolarHBondContact O-CA 3.47Å; E443-G447 PolarHBondContact O-N 3.15Å
448	D	85.4	Confident	92.7	Very high	63 Å²	63	31 Å²	31	34%	0.337	18%	0.177	S	C	.	.	S	Bend	trans	-139.8	140.7	-178.4	-161.9	-45.8	0	0	0	111	F429 Y446 D450 A451	F429-D448 WeakPolarHBondContact CZ-O 3.21Å; Y446-D448 PolarHBondContact O-N 3.45Å; Y446-D448 VanDerWaalsContact O-N 3.1Å; D448-D450 VanDerWaalsContact C-N 3.26Å; D448-D450 PolarHBondContact O-N 3.28Å; D448-D450 PolarHBondContact OD1-N 3.21Å; D448-A451 HydrophobicContact CB-CB 4.4Å; D448-A451 WeakPolarHBondContact O-CB 3.01Å; D448-A451 PolarHBondContact O-N 3.21Å; D448-A451 VanDerWaalsContact O-N 3.11Å
449	I	90.4	Very high	92.9	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.067	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-64.5	-31.4	176.1	-172.8	58.4	0	0	0	112	Y426 F429 L432 A451 L452	Y426-I449 WeakPolarHBondContact O-CG2 3.47Å; F429-I449 HydrophobicContact CD1-CD1 3.72Å; F429-I449 HydrophobicContact CD2-CD1 4.42Å; F429-I449 HydrophobicContact CE1-CD1 3.76Å; F429-I449 HydrophobicContact CE2-CB 4.24Å; F429-I449 HydrophobicContact CE2-CD1 4.45Å; F429-I449 HydrophobicContact CG-CD1 4.07Å; F429-I449 HydrophobicContact CZ-CB 4.42Å; F429-I449 HydrophobicContact CZ-CD1 4.13Å; L432-I449 HydrophobicContact CD2-CD1 4.39Å; I449-A451 PolarHBondContact O-N 3.16Å; I449-L452 HydrophobicContact CD1-CB 4.45Å; I449-L452 HydrophobicContact CD1-CD2 3.99Å; I449-L452 VanDerWaalsContact O-CB 3.29Å; I449-L452 WeakPolarHBondContact O-CB 3.15Å; I449-L452 PolarHBondContact O-N 3.32Å
450	D	91.3	Very high	93.1	Very high	77 Å²	77	30.7 Å²	30.7	41%	0.412	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-74.4	-4	175.7	-78	-32.5	0	0	0	112.6	P413 N415 D448	P413-D450 WeakPolarHBondContact CB-O 3.44Å; P413-D450 WeakPolarHBondContact CG-O 3.26Å; N415-D450 WeakPolarHBondContact CB-OD1 3.19Å; N415-D450 PolarHBondContact ND2-OD1 3.19Å; D448-D450 VanDerWaalsContact C-N 3.26Å; D448-D450 PolarHBondContact O-N 3.28Å; D448-D450 PolarHBondContact OD1-N 3.21Å
451	A	91.1	Very high	93.5	Very high	28 Å²	28	28 Å²	28	23%	0.231	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-98.6	-4.5	170.9	0	0	0	0	0	113.6	Y446 D448 I449 E453	Y446-A451 WeakPolarHBondContact CD1-O 3.33Å; D448-A451 HydrophobicContact CB-CB 4.4Å; D448-A451 WeakPolarHBondContact O-CB 3.01Å; D448-A451 PolarHBondContact O-N 3.21Å; D448-A451 VanDerWaalsContact O-N 3.11Å; I449-A451 PolarHBondContact O-N 3.16Å; A451-E453 PolarHBondContact O-N 3Å
452	L	97.8	Very high	93.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.			trans	-62.1	131.9	-179.6	176.1	61.7	0	0	0	111.2	P413 F414 F429 L432 Y446 I449 P456	P413-L452 CarbonylContact C-O 3.53Å; P413-L452 WeakPolarHBondContact CA-O 3.29Å; F414-L452 HydrophobicContact CB-CB 4.48Å; F414-L452 HydrophobicContact CB-CD2 4.36Å; F414-L452 HydrophobicContact CB-CG 4.18Å; F414-L452 WeakPolarHBondContact CB-O 3.02Å; F414-L452 HydrophobicContact CD1-CD2 4.07Å; F414-L452 HydrophobicContact CG-CD2 4.49Å; F414-L452 PolarHBondContact N-O 3.34Å; F429-L452 HydrophobicContact CE1-CB 4.18Å; F429-L452 HydrophobicContact CE1-CD1 4.23Å; F429-L452 HydrophobicContact CE1-CD2 4.28Å; F429-L452 HydrophobicContact CE1-CG 4.47Å; L432-L452 HydrophobicContact CD1-CD2 4.42Å; L432-L452 HydrophobicContact CD2-CD2 3.33Å; L432-L452 HydrophobicContact CG-CD2 4.49Å; Y446-L452 HydrophobicContact CD2-CD1 4.26Å; Y446-L452 HydrophobicContact CE2-CD1 3.8Å; I449-L452 HydrophobicContact CD1-CB 4.45Å; I449-L452 HydrophobicContact CD1-CD2 3.99Å; I449-L452 VanDerWaalsContact O-CB 3.29Å; I449-L452 WeakPolarHBondContact O-CB 3.15Å; I449-L452 PolarHBondContact O-N 3.32Å; L452-P456 HydrophobicContact CD1-CB 4.24Å
453	E	98.4	Very high	93.8	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.07	18%	0.175	C	C	.	.			trans	-76	153.2	-179.8	-67.5	170	-91.9	0	0	112.7	L122 R407 Y446 A451 P456 G457	L122-E453 HydrophobicContact CD1-CG 4.39Å; R407-E453 VanDerWaalsContact CG-OE2 3.28Å; R407-E453 WeakPolarHBondContact CG-OE2 3.1Å; R407-E453 IonicContact CZ-OE1 3.77Å; R407-E453 IonicContact CZ-OE2 3.48Å; R407-E453 IonicContact NE-OE1 3.03Å; R407-E453 IonicContact NE-OE2 2.69Å; R407-E453 PolarHBondContact NE-OE2 3.28Å; R407-E453 IonicContact NH2-OE1 3.51Å; R407-E453 PolarHBondContact NH2-OE1 2.95Å; R407-E453 IonicContact NH2-OE2 3.04Å; R407-E453 PolarHBondContact NH2-OE2 3.35Å; Y446-E453 HydrophobicContact CE1-CG 4.05Å; Y446-E453 PolarHBondContact OH-OE1 3.12Å; A451-E453 PolarHBondContact O-N 3Å; E453-P456 HydrophobicContact CB-CG 4.04Å; E453-G457 PolarHBondContact O-N 3.42Å
454	F	98.7	Very high	93.9	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-55.7	-57.8	-175.2	-179.1	-108.3	0	0	0	114.1	E331 H334 L335 L411 F414 Y417 G457 L458 I476	E331-F454 HydrophobicContact CB-CE1 4.14Å; E331-F454 HydrophobicContact CB-CZ 4.01Å; E331-F454 WeakPolarHBondContact O-CE1 3.36Å; H334-F454 HydrophobicContact CB-CD1 4.1Å; H334-F454 HydrophobicContact CB-CE1 4Å; L335-F454 HydrophobicContact CB-CE1 4.46Å; L411-F454 HydrophobicContact CD1-CB 4.42Å; L411-F454 HydrophobicContact CD1-CD1 4.25Å; F414-F454 HydrophobicContact CD2-CD2 4.33Å; Y417-F454 HydrophobicContact CD1-CD2 4.36Å; Y417-F454 HydrophobicContact CD1-CE2 4.15Å; Y417-F454 HydrophobicContact CD2-CB 4.25Å; Y417-F454 AromaticContact CD2-CD2 3.37Å; Y417-F454 HydrophobicContact CD2-CD2 3.37Å; Y417-F454 AromaticContact CD2-CE2 3.99Å; Y417-F454 HydrophobicContact CD2-CE2 3.99Å; Y417-F454 HydrophobicContact CD2-CG 4.1Å; Y417-F454 HydrophobicContact CE2-CB 4.25Å; Y417-F454 AromaticContact CE2-CD2 3.89Å; Y417-F454 HydrophobicContact CE2-CD2 3.89Å; Y417-F454 HydrophobicContact CE2-CG 4.22Å; Y417-F454 AromaticContact CG-CD2 3.62Å; Y417-F454 HydrophobicContact CG-CD2 3.62Å; Y417-F454 AromaticContact CG-CE2 3.75Å; Y417-F454 HydrophobicContact CG-CE2 3.75Å; F454-G457 PolarHBondContact O-N 2.04Å; F454-L458 HydrophobicContact CD1-CD1 3.99Å; F454-L458 HydrophobicContact CE1-CD1 3.5Å; F454-L458 HydrophobicContact CE2-CD1 4.13Å; F454-L458 HydrophobicContact CG-CD1 4.48Å; F454-L458 HydrophobicContact CZ-CD1 3.59Å; F454-L458 HydrophobicContact CZ-CG 4.43Å; F454-L458 WeakPolarHBondContact O-CG 3.43Å; F454-L458 PolarHBondContact O-N 2.86Å; F454-I476 HydrophobicContact CE2-CD1 4.02Å; F454-I476 HydrophobicContact CE2-CG2 4.47Å; F454-I476 HydrophobicContact CZ-CG2 4.23Å
455	Y	98.6	Very high	94.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-45.9	-175.1	179.2	-110.9	0	0	0	113.6	L133 H334 H337 A399 V402 I403 G457 L458 L459	L133-Y455 HydrophobicContact CD1-CE1 4.34Å; H334-Y455 WeakPolarHBondContact O-CD2 3.46Å; H337-Y455 HydrophobicContact CB-CE2 3.67Å; H337-Y455 PolarHBondContact O-OH 2.89Å; H337-Y455 VanDerWaalsContact O-OH 3.14Å; A399-Y455 HydrophobicContact CB-CE1 3.89Å; V402-Y455 HydrophobicContact CB-CD1 4.1Å; V402-Y455 HydrophobicContact CB-CE1 4.06Å; V402-Y455 HydrophobicContact CG1-CD1 3.56Å; V402-Y455 HydrophobicContact CG1-CD2 3.85Å; V402-Y455 HydrophobicContact CG1-CE1 3.86Å; V402-Y455 HydrophobicContact CG1-CE2 4.16Å; V402-Y455 HydrophobicContact CG1-CG 3.52Å; I403-Y455 HydrophobicContact CG1-CD1 4.02Å; Y455-G457 VanDerWaalsContact C-N 3.32Å; Y455-G457 PolarHBondContact O-N 2.9Å; Y455-L458 PolarHBondContact O-N 2.98Å; Y455-L459 HydrophobicContact CE1-CD1 3.82Å; Y455-L459 HydrophobicContact CE2-CD1 3.8Å; Y455-L459 HydrophobicContact CE2-CG 4.04Å; Y455-L459 PolarHBondContact O-N 3.25Å; Y455-L459 WeakPolarHBondContact OH-CD1 3.32Å
456	P	98.6	Very high	94	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-42.7	169.7	-27.5	37.1	0	0	0	113	I403 L452 E453 L458 L459 L460	I403-P456 HydrophobicContact CD1-CG 4.14Å; I403-P456 HydrophobicContact CG1-CG 4.04Å; L452-P456 HydrophobicContact CD1-CB 4.24Å; E453-P456 HydrophobicContact CB-CG 4.04Å; P456-L458 VanDerWaalsContact C-N 3.34Å; P456-L458 PolarHBondContact O-N 2.87Å; P456-L459 PolarHBondContact O-N 2.87Å; P456-L460 HydrophobicContact CB-CD1 4.39Å; P456-L460 VanDerWaalsContact O-CB 3.29Å; P456-L460 WeakPolarHBondContact O-CB 3.5Å; P456-L460 WeakPolarHBondContact O-CG 3.32Å; P456-L460 PolarHBondContact O-N 3.37Å
457	G	98.5	Very high	94.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-45.1	177.2	0	0	0	0	0	112.9	E453 F454 Y455 E461	E453-G457 PolarHBondContact O-N 3.42Å; F454-G457 PolarHBondContact O-N 2.04Å; Y455-G457 VanDerWaalsContact C-N 3.32Å; Y455-G457 PolarHBondContact O-N 2.9Å; G457-E461 WeakPolarHBondContact O-CB 3.18Å; G457-E461 PolarHBondContact O-N 3.17Å; G457-E461 VanDerWaalsContact O-N 3.08Å
458	L	98.6	Very high	95	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-43.5	177.9	-72.6	172	0	0	0	113.7	L335 F414 F454 Y455 P456 M473 I476	L335-L458 HydrophobicContact CB-CD1 3.98Å; L335-L458 HydrophobicContact CD1-CD1 4.27Å; L335-L458 HydrophobicContact CD1-CD2 4.4Å; L335-L458 HydrophobicContact CG-CD1 4.03Å; F414-L458 HydrophobicContact CE2-CD2 3.91Å; F414-L458 HydrophobicContact CE2-CG 3.99Å; F454-L458 HydrophobicContact CD1-CD1 3.99Å; F454-L458 HydrophobicContact CE1-CD1 3.5Å; F454-L458 HydrophobicContact CE2-CD1 4.13Å; F454-L458 HydrophobicContact CG-CD1 4.48Å; F454-L458 HydrophobicContact CZ-CD1 3.59Å; F454-L458 HydrophobicContact CZ-CG 4.43Å; F454-L458 WeakPolarHBondContact O-CG 3.43Å; F454-L458 PolarHBondContact O-N 2.86Å; Y455-L458 PolarHBondContact O-N 2.98Å; P456-L458 VanDerWaalsContact C-N 3.34Å; P456-L458 PolarHBondContact O-N 2.87Å; L458-M473 HydrophobicContact CB-CE 4.07Å; L458-M473 HydrophobicContact CD2-SD 4.35Å; L458-I476 HydrophobicContact CD2-CD1 4.11Å
459	L	98.6	Very high	95.5	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-81.4	-27	-175.7	-69.6	-169.8	0	0	0	113.7	L133 I385 G386 G387 G388 M391 Y455 P456 M473	L133-L459 HydrophobicContact CD1-CD1 4.29Å; L133-L459 HydrophobicContact CD2-CB 3.84Å; L133-L459 HydrophobicContact CD2-CD1 3.88Å; I385-L459 HydrophobicContact CG2-CD2 3.98Å; G386-L459 CarbonylContact C-O 3.59Å; G387-L459 PolarHBondContact N-O 3.05Å; G388-L459 PolarHBondContact N-O 3.4Å; M391-L459 HydrophobicContact CE-CD1 4.01Å; Y455-L459 HydrophobicContact CE1-CD1 3.82Å; Y455-L459 HydrophobicContact CE2-CD1 3.8Å; Y455-L459 HydrophobicContact CE2-CG 4.04Å; Y455-L459 PolarHBondContact O-N 3.25Å; Y455-L459 WeakPolarHBondContact OH-CD1 3.32Å; P456-L459 PolarHBondContact O-N 2.87Å; L459-M473 HydrophobicContact CD2-CE 4.15Å
460	L	98.6	Very high	95.6	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-92.7	-15.9	-178	-58.3	179.7	0	0	0	113.2	F132 L133 V433 M438 L442 P456 K462	F132-L460 HydrophobicContact CB-CD1 3.95Å; F132-L460 HydrophobicContact CB-CD2 3.68Å; F132-L460 HydrophobicContact CB-CG 4.47Å; F132-L460 HydrophobicContact CG-CD1 4.35Å; F132-L460 WeakPolarHBondContact O-CD2 3.34Å; L133-L460 HydrophobicContact CD2-CD2 3.81Å; L133-L460 HydrophobicContact CD2-CG 4.37Å; V433-L460 HydrophobicContact CG1-CB 4.33Å; M438-L460 HydrophobicContact SD-CB 4.35Å; M438-L460 HydrophobicContact SD-CD2 3.9Å; M438-L460 HydrophobicContact SD-CG 4.49Å; L442-L460 HydrophobicContact CD1-CD1 3.96Å; L442-L460 HydrophobicContact CD2-CD1 3.89Å; P456-L460 HydrophobicContact CB-CD1 4.39Å; P456-L460 VanDerWaalsContact O-CB 3.29Å; P456-L460 WeakPolarHBondContact O-CB 3.5Å; P456-L460 WeakPolarHBondContact O-CG 3.32Å; P456-L460 PolarHBondContact O-N 3.37Å; L460-K462 PolarHBondContact O-N 2.85Å
461	E	98.4	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-54.1	136.1	174.1	-172.3	179.6	-108.4	0	0	111.2	G387 R418 Y426 L432 G457 C463 G470 E471 S472	G387-E461 PolarHBondContact N-O 3.26Å; R418-E461 IonicContact NH1-OE1 2.85Å; R418-E461 PolarHBondContact NH1-OE1 3.25Å; Y426-E461 HydrophobicContact CE2-CG 4.31Å; Y426-E461 WeakPolarHBondContact CE2-OE1 3.32Å; Y426-E461 PolarHBondContact OH-OE1 3.29Å; Y426-E461 VanDerWaalsContact OH-OE1 3.08Å; L432-E461 HydrophobicContact CD1-CB 3.91Å; L432-E461 HydrophobicContact CD1-CG 4.12Å; G457-E461 WeakPolarHBondContact O-CB 3.18Å; G457-E461 PolarHBondContact O-N 3.17Å; G457-E461 VanDerWaalsContact O-N 3.08Å; E461-C463 PolarHBondContact O-N 2.96Å; E461-G470 VanDerWaalsContact OE2-CA 3.31Å; E461-G470 WeakPolarHBondContact OE2-CA 3.46Å; E461-E471 PolarHBondContact OE2-N 3.43Å; E461-S472 VanDerWaalsContact OE1-CB 3.29Å; E461-S472 WeakPolarHBondContact OE1-CB 3.06Å; E461-S472 PolarHBondContact OE1-OG 2.83Å; E461-S472 WeakPolarHBondContact OE2-CB 3.35Å; E461-S472 PolarHBondContact OE2-N 3.21Å; E461-S472 PolarHBondContact OE2-OG 2.8Å
462	K	97.4	Very high	96	Very high	93 Å²	93	27.7 Å²	27.7	40%	0.404	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-57	131.4	175.7	69.9	-165.8	178.7	-159.1	0	110.4	E431 L432 L460 G470	E431-K462 PolarHBondContact O-NZ 3.32Å; L432-K462 WeakPolarHBondContact O-CG 3.38Å; L432-K462 PolarHBondContact O-N 2.89Å; L460-K462 PolarHBondContact O-N 2.85Å; K462-G470 WeakPolarHBondContact O-CA 3.43Å
463	C	95.4	Very high	95.9	Very high	32 Å²	32	28 Å²	28	22%	0.216	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-66.7	154	176.3	-62.2	0	0	0	0	111.7	G386 E461 F469	G386-C463 PolarHBondContact O-SG 2.93Å; E461-C463 PolarHBondContact O-N 2.96Å; C463-F469 WeakPolarHBondContact CA-O 3.47Å
464	H	90.1	Very high	95.6	Very high	76 Å²	76	28.7 Å²	28.7	35%	0.352	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-62	154.2	160.9	-79.3	-71	0	0	0	110.6	N466 S467 F469 E471	H464-N466 PolarHBondContact O-N 2.99Å; H464-S467 VanDerWaalsContact CB-OG 3.26Å; H464-S467 WeakPolarHBondContact CB-OG 3.22Å; H464-S467 WeakPolarHBondContact O-CB 3.48Å; H464-S467 PolarHBondContact O-N 3.08Å; H464-F469 PolarHBondContact N-O 3.25Å; H464-F469 VanDerWaalsContact N-O 3.15Å; H464-E471 WeakPolarHBondContact NE2-CA 3.41Å
465	P	90.3	Very high	95.2	Very high	114 Å²	114	33 Å²	33	74%	0.74	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	129.2	176.2	-27	35.4	0	0	0	111.5	S467	P465-S467 PolarHBondContact O-N 3.21Å; P465-S467 VanDerWaalsContact O-N 3.08Å; P465-S467 PolarHBondContact O-OG 3.32Å; P465-S467 VanDerWaalsContact O-OG 3.05Å
466	N	88.4	Confident	95.1	Very high	135 Å²	135	32.9 Å²	32.9	72%	0.722	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	30.3	-178.7	-56.9	-28.9	0	0	0	114.7	P142 Q143 H464	P142-N466 HydrophobicContact CB-CB 4.42Å; P142-N466 VanDerWaalsContact CG-C 3.47Å; Q143-N466 VanDerWaalsContact CG-O 3.32Å; Q143-N466 WeakPolarHBondContact CG-O 3.23Å; H464-N466 PolarHBondContact O-N 2.99Å
467	S	93.2	Very high	94.9	Very high	27 Å²	27	33 Å²	33	19%	0.189	18%	0.175	C	C	.	.			trans	-115.4	156.6	-178.5	-53.8	0	0	0	0	112.4	H464 P465 F469	H464-S467 VanDerWaalsContact CB-OG 3.26Å; H464-S467 WeakPolarHBondContact CB-OG 3.22Å; H464-S467 WeakPolarHBondContact O-CB 3.48Å; H464-S467 PolarHBondContact O-N 3.08Å; P465-S467 PolarHBondContact O-N 3.21Å; P465-S467 VanDerWaalsContact O-N 3.08Å; P465-S467 PolarHBondContact O-OG 3.32Å; P465-S467 VanDerWaalsContact O-OG 3.05Å; S467-F469 VanDerWaalsContact C-N 3.34Å; S467-F469 PolarHBondContact O-N 2.97Å
468	I	96.4	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-73.3	-24.5	-176.4	-164.5	170.1	0	0	0	113	D141 T145 L303 L341 R384 I385 G386	D141-I468 HydrophobicContact CB-CD1 4.25Å; D141-I468 HydrophobicContact CB-CG1 4.25Å; D141-I468 WeakPolarHBondContact OD1-CA 3.49Å; D141-I468 WeakPolarHBondContact OD1-CB 3.43Å; D141-I468 VanDerWaalsContact OD1-CG1 3.28Å; D141-I468 WeakPolarHBondContact OD1-CG1 3.27Å; T145-I468 HydrophobicContact CG2-CD1 4.47Å; L303-I468 HydrophobicContact CD1-CG2 3.95Å; L341-I468 HydrophobicContact CD2-CD1 3.93Å; R384-I468 VanDerWaalsContact CG-O 3.25Å; R384-I468 WeakPolarHBondContact CG-O 3.31Å; I385-I468 HydrophobicContact CB-CG1 4.18Å; I385-I468 HydrophobicContact CD1-CD1 3.69Å; I385-I468 HydrophobicContact CD1-CG1 3.92Å; I385-I468 HydrophobicContact CG1-CD1 3.98Å; I385-I468 HydrophobicContact CG1-CG1 3.88Å; I385-I468 PolarHBondContact N-O 3Å; G386-I468 PolarHBondContact N-O 3.28Å
469	F	95.9	Very high	94.2	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.039	21%	0.208	C	C	.	.	S	Bend	trans	-151.6	-179	178.8	47.7	-130.1	0	0	0	113	L303 I385 C463 H464 S467 M473 I474	L303-F469 HydrophobicContact CD1-CD1 4.42Å; L303-F469 HydrophobicContact CD1-CE1 3.41Å; L303-F469 VanDerWaalsContact CD1-CE1 3.41Å; L303-F469 HydrophobicContact CD1-CZ 3.83Å; L303-F469 HydrophobicContact CD2-CE1 4.25Å; L303-F469 HydrophobicContact CD2-CZ 4.29Å; L303-F469 HydrophobicContact CG-CE1 3.87Å; L303-F469 HydrophobicContact CG-CZ 3.81Å; I385-F469 HydrophobicContact CD1-CD1 4.17Å; C463-F469 WeakPolarHBondContact CA-O 3.47Å; H464-F469 PolarHBondContact N-O 3.25Å; H464-F469 VanDerWaalsContact N-O 3.15Å; S467-F469 VanDerWaalsContact C-N 3.34Å; S467-F469 PolarHBondContact O-N 2.97Å; F469-M473 HydrophobicContact CB-CB 3.87Å; F469-M473 HydrophobicContact CB-CE 4.29Å; F469-M473 HydrophobicContact CB-CG 4.04Å; F469-M473 HydrophobicContact CD1-CB 3.97Å; F469-M473 HydrophobicContact CD1-CG 3.45Å; F469-M473 VanDerWaalsContact CD1-CG 3.45Å; F469-M473 HydrophobicContact CD2-CB 3.76Å; F469-M473 HydrophobicContact CD2-CG 4.17Å; F469-M473 HydrophobicContact CE1-CB 4.46Å; F469-M473 HydrophobicContact CE1-CG 3.86Å; F469-M473 HydrophobicContact CE2-CB 4.36Å; F469-M473 HydrophobicContact CG-CB 3.58Å; F469-M473 HydrophobicContact CG-CG 3.62Å; F469-M473 HydrophobicContact CZ-CG 4.43Å; F469-I474 HydrophobicContact CD2-CD1 4.36Å; F469-I474 HydrophobicContact CD2-CG1 3.89Å; F469-I474 HydrophobicContact CE2-CD1 3.84Å; F469-I474 HydrophobicContact CE2-CG1 3.25Å; F469-I474 HydrophobicContact CZ-CG1 4.11Å
470	G	93.1	Very high	94	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.			trans	-88	-179.2	177	0	0	0	0	0	115	E461 K462 S472 M473	E461-G470 VanDerWaalsContact OE2-CA 3.31Å; E461-G470 WeakPolarHBondContact OE2-CA 3.46Å; K462-G470 WeakPolarHBondContact O-CA 3.43Å; G470-S472 PolarHBondContact O-N 2.92Å; G470-M473 PolarHBondContact O-N 3.32Å
471	E	94.2	Very high	93.9	Very high	67 Å²	67	40.7 Å²	40.7	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-55.5	-46.8	-177.8	-178.9	-175.5	-127.1	0	0	112.6	R418 M423 E461 H464 M473 I474 E475	R418-E471 IonicContact CZ-OE2 3.32Å; R418-E471 IonicContact NH1-OE2 3.85Å; R418-E471 PolarHBondContact NH1-OE2 2.88Å; R418-E471 IonicContact NH2-OE2 2.68Å; R418-E471 PolarHBondContact NH2-OE2 2.75Å; M423-E471 HydrophobicContact SD-CG 4.06Å; E461-E471 PolarHBondContact OE2-N 3.43Å; H464-E471 WeakPolarHBondContact NE2-CA 3.41Å; E471-M473 VanDerWaalsContact C-N 3.27Å; E471-M473 PolarHBondContact O-N 2.87Å; E471-I474 WeakPolarHBondContact O-CB 3.27Å; E471-I474 PolarHBondContact O-N 3.34Å; E471-I474 VanDerWaalsContact O-N 3.08Å; E471-E475 HydrophobicContact CG-CG 4.02Å; E471-E475 PolarHBondContact O-N 3.36Å
472	S	96.9	Very high	93.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-34.8	-173.7	-65.8	0	0	0	0	112.2	F414 R418 E461 G470 I474 I476	F414-S472 WeakPolarHBondContact CZ-OG 3.26Å; R418-S472 PolarHBondContact NH1-OG 3.36Å; E461-S472 VanDerWaalsContact OE1-CB 3.29Å; E461-S472 WeakPolarHBondContact OE1-CB 3.06Å; E461-S472 PolarHBondContact OE1-OG 2.83Å; E461-S472 WeakPolarHBondContact OE2-CB 3.35Å; E461-S472 PolarHBondContact OE2-N 3.21Å; E461-S472 PolarHBondContact OE2-OG 2.8Å; G470-S472 PolarHBondContact O-N 2.92Å; S472-I474 VanDerWaalsContact C-N 3.25Å; S472-I474 PolarHBondContact O-N 3.21Å; S472-I476 WeakPolarHBondContact O-CB 3.28Å; S472-I476 WeakPolarHBondContact O-CD1 3.3Å; S472-I476 VanDerWaalsContact O-CG1 3.26Å; S472-I476 WeakPolarHBondContact O-CG1 3.4Å; S472-I476 PolarHBondContact O-N 2.73Å
473	M	96.3	Very high	93.4	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-35.8	178.2	-159.3	77.8	73	0	0	111.3	L335 I385 L458 L459 F469 G470 E471 G477	L335-M473 HydrophobicContact CD1-SD 4.31Å; L335-M473 HydrophobicContact CD2-CG 4.37Å; L335-M473 HydrophobicContact CD2-SD 3.77Å; L335-M473 HydrophobicContact CG-SD 3.62Å; I385-M473 HydrophobicContact CG2-CE 3.87Å; L458-M473 HydrophobicContact CB-CE 4.07Å; L458-M473 HydrophobicContact CD2-SD 4.35Å; L459-M473 HydrophobicContact CD2-CE 4.15Å; F469-M473 HydrophobicContact CB-CB 3.87Å; F469-M473 HydrophobicContact CB-CE 4.29Å; F469-M473 HydrophobicContact CB-CG 4.04Å; F469-M473 HydrophobicContact CD1-CB 3.97Å; F469-M473 HydrophobicContact CD1-CG 3.45Å; F469-M473 VanDerWaalsContact CD1-CG 3.45Å; F469-M473 HydrophobicContact CD2-CB 3.76Å; F469-M473 HydrophobicContact CD2-CG 4.17Å; F469-M473 HydrophobicContact CE1-CB 4.46Å; F469-M473 HydrophobicContact CE1-CG 3.86Å; F469-M473 HydrophobicContact CE2-CB 4.36Å; F469-M473 HydrophobicContact CG-CB 3.58Å; F469-M473 HydrophobicContact CG-CG 3.62Å; F469-M473 HydrophobicContact CZ-CG 4.43Å; G470-M473 PolarHBondContact O-N 3.32Å; E471-M473 VanDerWaalsContact C-N 3.27Å; E471-M473 PolarHBondContact O-N 2.87Å; M473-G477 VanDerWaalsContact O-CA 3.31Å; M473-G477 WeakPolarHBondContact O-CA 3.44Å; M473-G477 PolarHBondContact O-N 2.88Å
474	I	91.4	Very high	93.5	Very high	31 Å²	31	42.3 Å²	42.3	16%	0.159	24%	0.235	C	C	.	.	H	α-helix	trans	-74.1	-57.5	176.9	-59.4	172.7	0	0	0	110.1	F469 E471 S472 I476 G477 A478	F469-I474 HydrophobicContact CD2-CD1 4.36Å; F469-I474 HydrophobicContact CD2-CG1 3.89Å; F469-I474 HydrophobicContact CE2-CD1 3.84Å; F469-I474 HydrophobicContact CE2-CG1 3.25Å; F469-I474 HydrophobicContact CZ-CG1 4.11Å; E471-I474 WeakPolarHBondContact O-CB 3.27Å; E471-I474 PolarHBondContact O-N 3.34Å; E471-I474 VanDerWaalsContact O-N 3.08Å; S472-I474 VanDerWaalsContact C-N 3.25Å; S472-I474 PolarHBondContact O-N 3.21Å; I474-I476 VanDerWaalsContact C-N 3.25Å; I474-I476 PolarHBondContact O-N 2.93Å; I474-G477 PolarHBondContact O-N 2.98Å; I474-A478 WeakPolarHBondContact O-CB 3.46Å; I474-A478 PolarHBondContact O-N 2.79Å
475	E	90.1	Very high	93.8	Very high	90 Å²	90	38.9 Å²	38.9	42%	0.421	22%	0.219	S	C	.	.	H	α-helix	trans	-67	-27.8	-170.2	-65.9	-60.3	148.8	0	0	112.5	F421 M423 E471 P479	F421-E475 WeakPolarHBondContact CD1-O 3.1Å; M423-E475 HydrophobicContact CE-CB 3.68Å; M423-E475 HydrophobicContact CG-CB 4.18Å; M423-E475 HydrophobicContact CG-CG 4.21Å; M423-E475 HydrophobicContact SD-CB 3.65Å; M423-E475 HydrophobicContact SD-CG 3.93Å; E471-E475 HydrophobicContact CG-CG 4.02Å; E471-E475 PolarHBondContact O-N 3.36Å; E475-P479 WeakPolarHBondContact O-CD 3.44Å; E475-P479 VanDerWaalsContact O-CG 3.32Å; E475-P479 WeakPolarHBondContact O-CG 3.06Å
476	I	96.6	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-89.2	-43.8	174.3	-58.6	164.6	0	0	0	110.8	L335 F421 M423 F454 L458 S472 I474 P479 F480	L335-I476 HydrophobicContact CD1-CB 3.75Å; L335-I476 HydrophobicContact CD1-CG2 3.56Å; F421-I476 HydrophobicContact CB-CG1 4.15Å; F421-I476 HydrophobicContact CD1-CB 4.41Å; F421-I476 HydrophobicContact CD1-CG1 4.26Å; F421-I476 HydrophobicContact CD2-CB 4.46Å; F421-I476 HydrophobicContact CD2-CG1 3.78Å; F421-I476 HydrophobicContact CD2-CG2 4.29Å; F421-I476 HydrophobicContact CE1-CB 4.43Å; F421-I476 HydrophobicContact CE1-CG2 4.17Å; F421-I476 HydrophobicContact CE2-CB 4.49Å; F421-I476 HydrophobicContact CE2-CG1 4.23Å; F421-I476 HydrophobicContact CE2-CG2 3.87Å; F421-I476 HydrophobicContact CG-CB 4.42Å; F421-I476 HydrophobicContact CG-CG1 3.8Å; F421-I476 HydrophobicContact CZ-CB 4.48Å; F421-I476 HydrophobicContact CZ-CG2 3.8Å; M423-I476 HydrophobicContact CE-CD1 3.99Å; M423-I476 HydrophobicContact CE-CG1 3.71Å; F454-I476 HydrophobicContact CE2-CD1 4.02Å; F454-I476 HydrophobicContact CE2-CG2 4.47Å; F454-I476 HydrophobicContact CZ-CG2 4.23Å; L458-I476 HydrophobicContact CD2-CD1 4.11Å; S472-I476 WeakPolarHBondContact O-CB 3.28Å; S472-I476 WeakPolarHBondContact O-CD1 3.3Å; S472-I476 VanDerWaalsContact O-CG1 3.26Å; S472-I476 WeakPolarHBondContact O-CG1 3.4Å; S472-I476 PolarHBondContact O-N 2.73Å; I474-I476 VanDerWaalsContact C-N 3.25Å; I474-I476 PolarHBondContact O-N 2.93Å; I476-P479 WeakPolarHBondContact O-CD 3.44Å; I476-F480 HydrophobicContact CG2-CD2 4.26Å; I476-F480 HydrophobicContact CG2-CE2 3.88Å; I476-F480 WeakPolarHBondContact O-CD2 3.38Å
477	G	93.9	Very high	94.5	Very high	5 Å²	5	28.6 Å²	28.6	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-73	-37.2	-174.2	0	0	0	0	0	114.1	M473 I474 F480 S481	M473-G477 VanDerWaalsContact O-CA 3.31Å; M473-G477 WeakPolarHBondContact O-CA 3.44Å; M473-G477 PolarHBondContact O-N 2.88Å; I474-G477 PolarHBondContact O-N 2.98Å; G477-F480 PolarHBondContact O-N 2.8Å; G477-S481 WeakPolarHBondContact O-CB 3.5Å; G477-S481 PolarHBondContact O-N 3.07Å; G477-S481 PolarHBondContact O-OG 2.7Å
478	A	90.1	Very high	94.7	Very high	38 Å²	38	28.1 Å²	28.1	31%	0.314	15%	0.153	S	C	.	.	H	α-helix	trans	-65.3	-46.1	-175.9	0	0	0	0	0	112.9	I474 F480 S481 L482	I474-A478 WeakPolarHBondContact O-CB 3.46Å; I474-A478 PolarHBondContact O-N 2.79Å; A478-F480 VanDerWaalsContact C-N 3.34Å; A478-F480 PolarHBondContact O-N 3Å; A478-S481 PolarHBondContact O-N 3.26Å; A478-L482 WeakPolarHBondContact O-CB 3.26Å; A478-L482 WeakPolarHBondContact O-CG 3.43Å; A478-L482 PolarHBondContact O-N 2.98Å
479	P	92.1	Very high	94.8	Very high	61 Å²	61	31.2 Å²	31.2	40%	0.396	17%	0.174	S	C	.	.	H	α-helix	trans	-58	-42.5	175	-27.1	35.8	0	0	0	113.4	F421 E475 I476 K483	F421-P479 HydrophobicContact CD1-CG 4.28Å; F421-P479 HydrophobicContact CE1-CB 4.37Å; F421-P479 HydrophobicContact CE1-CG 4.25Å; E475-P479 WeakPolarHBondContact O-CD 3.44Å; E475-P479 VanDerWaalsContact O-CG 3.32Å; E475-P479 WeakPolarHBondContact O-CG 3.06Å; I476-P479 WeakPolarHBondContact O-CD 3.44Å; P479-K483 WeakPolarHBondContact O-CB 3.36Å; P479-K483 PolarHBondContact O-N 2.68Å
480	F	96.3	Very high	94.9	Very high	44 Å²	44	31 Å²	31	19%	0.193	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-45	176.7	-72.2	-55.1	0	0	0	112.1	A329 E331 F332 F421 I476 G477 A478 K483 G484	A329-F480 HydrophobicContact CB-CD1 4.15Å; A329-F480 HydrophobicContact CB-CE1 3.43Å; A329-F480 VanDerWaalsContact CB-CE1 3.43Å; A329-F480 HydrophobicContact CB-CZ 3.74Å; E331-F480 HydrophobicContact CB-CE2 4.25Å; E331-F480 HydrophobicContact CB-CZ 4.31Å; F332-F480 HydrophobicContact CB-CB 4.03Å; F332-F480 HydrophobicContact CB-CD1 4.19Å; F332-F480 HydrophobicContact CB-CD2 3.73Å; F332-F480 HydrophobicContact CB-CE2 4.18Å; F332-F480 HydrophobicContact CB-CG 3.74Å; F332-F480 HydrophobicContact CD1-CB 3.99Å; F332-F480 HydrophobicContact CD2-CB 3.42Å; F332-F480 VanDerWaalsContact CD2-CB 3.42Å; F332-F480 AromaticContact CD2-CD2 3.91Å; F332-F480 HydrophobicContact CD2-CD2 3.91Å; F332-F480 AromaticContact CD2-CG 3.94Å; F332-F480 HydrophobicContact CD2-CG 3.94Å; F332-F480 HydrophobicContact CE1-CB 4.31Å; F332-F480 HydrophobicContact CE2-CB 3.78Å; F332-F480 HydrophobicContact CG-CB 3.54Å; F332-F480 HydrophobicContact CG-CD2 4.07Å; F332-F480 AromaticContact CG-CG 3.85Å; F332-F480 HydrophobicContact CG-CG 3.85Å; F332-F480 HydrophobicContact CZ-CB 4.22Å; F421-F480 HydrophobicContact CE1-CE2 4.4Å; F421-F480 AromaticContact CZ-CE2 3.74Å; F421-F480 HydrophobicContact CZ-CE2 3.74Å; F421-F480 AromaticContact CZ-CZ 3.88Å; F421-F480 HydrophobicContact CZ-CZ 3.88Å; I476-F480 HydrophobicContact CG2-CD2 4.26Å; I476-F480 HydrophobicContact CG2-CE2 3.88Å; I476-F480 WeakPolarHBondContact O-CD2 3.38Å; G477-F480 PolarHBondContact O-N 2.8Å; A478-F480 VanDerWaalsContact C-N 3.34Å; A478-F480 PolarHBondContact O-N 3Å; F480-K483 PolarHBondContact O-N 2.89Å; F480-G484 PolarHBondContact O-N 3.38Å
481	S	94.9	Very high	95.2	Very high	27 Å²	27	31 Å²	31	19%	0.189	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-51.9	-178.8	-58.2	0	0	0	0	111.3	G477 A478 K483 G484 L485	G477-S481 WeakPolarHBondContact O-CB 3.5Å; G477-S481 PolarHBondContact O-N 3.07Å; G477-S481 PolarHBondContact O-OG 2.7Å; A478-S481 PolarHBondContact O-N 3.26Å; S481-K483 VanDerWaalsContact C-N 3.32Å; S481-K483 PolarHBondContact O-N 3.28Å; S481-G484 PolarHBondContact O-N 3.3Å; S481-G484 VanDerWaalsContact O-N 3.16Å; S481-L485 VanDerWaalsContact O-CG 3.25Å; S481-L485 WeakPolarHBondContact O-CG 3.5Å; S481-L485 PolarHBondContact O-N 3.44Å
482	L	90.2	Very high	95.4	Very high	86 Å²	86	28.5 Å²	28.5	45%	0.45	16%	0.162	S	C	.	.	H	α-helix	trans	-62	-40	179	-68.6	174.6	0	0	0	111.8	A478 L485 L486	A478-L482 WeakPolarHBondContact O-CB 3.26Å; A478-L482 WeakPolarHBondContact O-CG 3.43Å; A478-L482 PolarHBondContact O-N 2.98Å; L482-L485 PolarHBondContact O-N 2.02Å; L482-L486 WeakPolarHBondContact O-CB 3.44Å; L482-L486 PolarHBondContact O-N 3.29Å
483	K	96.6	Very high	95.4	Very high	63 Å²	63	31.8 Å²	31.8	27%	0.274	18%	0.184	S	C	.	.	H	α-helix	trans	-64.9	-40	175.3	-179.9	57.3	176.5	174.4	0	112.3	F322 Q323 R325 P479 F480 S481 G487	F322-K483 HydrophobicContact CE2-CD 4.39Å; F322-K483 HydrophobicContact CZ-CD 4.09Å; Q323-K483 PolarHBondContact O-NZ 2.87Å; R325-K483 WeakPolarHBondContact O-CE 3.31Å; R325-K483 PolarHBondContact O-NZ 3.49Å; P479-K483 WeakPolarHBondContact O-CB 3.36Å; P479-K483 PolarHBondContact O-N 2.68Å; F480-K483 PolarHBondContact O-N 2.89Å; S481-K483 VanDerWaalsContact C-N 3.32Å; S481-K483 PolarHBondContact O-N 3.28Å; K483-G487 WeakPolarHBondContact O-CA 3.27Å; K483-G487 PolarHBondContact O-N 3.36Å
484	G	95.9	Very high	95.5	Very high	10 Å²	10	37.4 Å²	37.4	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-34.8	177.2	0	0	0	0	0	113.6	F480 S481	F480-G484 PolarHBondContact O-N 3.38Å; S481-G484 PolarHBondContact O-N 3.3Å; S481-G484 VanDerWaalsContact O-N 3.16Å
485	L	96.7	Very high	95.9	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-78.8	-62.2	179.1	-64.8	166.1	0	0	0	111.4	F156 V179 I292 V295 I296 S481 L482 G487 N488	F156-L485 HydrophobicContact CZ-CD2 4.02Å; V179-L485 HydrophobicContact CG2-CD2 4.06Å; I292-L485 HydrophobicContact CG1-CD2 4.18Å; I292-L485 HydrophobicContact CG2-CB 4.27Å; I292-L485 HydrophobicContact CG2-CD2 4.29Å; V295-L485 HydrophobicContact CB-CD2 4.1Å; V295-L485 HydrophobicContact CG1-CD1 3.68Å; V295-L485 HydrophobicContact CG1-CD2 3.74Å; V295-L485 HydrophobicContact CG1-CG 4.34Å; I296-L485 HydrophobicContact CD1-CB 4.32Å; I296-L485 HydrophobicContact CD1-CD1 4.37Å; I296-L485 HydrophobicContact CG1-CD1 3.77Å; S481-L485 VanDerWaalsContact O-CG 3.25Å; S481-L485 WeakPolarHBondContact O-CG 3.5Å; S481-L485 PolarHBondContact O-N 3.44Å; L482-L485 PolarHBondContact O-N 2.02Å; L485-G487 VanDerWaalsContact C-N 3.3Å; L485-G487 PolarHBondContact O-N 3.45Å; L485-N488 VanDerWaalsContact O-CB 3.22Å; L485-N488 WeakPolarHBondContact O-CB 3.32Å; L485-N488 PolarHBondContact O-N 2.96Å
486	L	95.9	Very high	96.3	Very high	32 Å²	32	37.8 Å²	37.8	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-77.2	-18.2	-175	-63.1	171.2	0	0	0	112.8	I296 F312 L317 F322 Y324 L482 N488	I296-L486 HydrophobicContact CD1-CD2 4.23Å; F312-L486 HydrophobicContact CD2-CD2 4.25Å; F312-L486 HydrophobicContact CE2-CD2 4.21Å; L317-L486 HydrophobicContact CD1-CB 3.83Å; L317-L486 HydrophobicContact CD1-CD1 4.01Å; L317-L486 HydrophobicContact CD1-CD2 4.48Å; L317-L486 HydrophobicContact CD1-CG 4.32Å; F322-L486 HydrophobicContact CE1-CB 4.36Å; F322-L486 VanDerWaalsContact CE1-O 3.29Å; F322-L486 WeakPolarHBondContact CE1-O 3.49Å; F322-L486 HydrophobicContact CZ-CB 4.09Å; Y324-L486 WeakPolarHBondContact CD1-O 3.39Å; L482-L486 WeakPolarHBondContact O-CB 3.44Å; L482-L486 PolarHBondContact O-N 3.29Å; L486-N488 PolarHBondContact O-N 3.39Å
487	G	97.4	Very high	96.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-4.2	170	0	0	0	0	0	114.2	Y324 R325 K483 L485	Y324-G487 CarbonylContact C-O 3.47Å; Y324-G487 WeakPolarHBondContact CA-O 3.48Å; R325-G487 WeakPolarHBondContact CA-O 3.31Å; R325-G487 PolarHBondContact N-O 3.28Å; K483-G487 WeakPolarHBondContact O-CA 3.27Å; K483-G487 PolarHBondContact O-N 3.36Å; L485-G487 VanDerWaalsContact C-N 3.3Å; L485-G487 PolarHBondContact O-N 3.45Å
488	N	98.6	Very high	96.6	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.091	23%	0.231	C	C	.	.	S	Bend	trans	-66.1	136.2	175.4	-166.7	-58.7	0	0	0	110.7	V179 I292 L485 L486 I490 C491	V179-N488 PolarHBondContact O-ND2 3.34Å; I292-N488 HydrophobicContact CD1-CB 3.79Å; L485-N488 VanDerWaalsContact O-CB 3.22Å; L485-N488 WeakPolarHBondContact O-CB 3.32Å; L485-N488 PolarHBondContact O-N 2.96Å; L486-N488 PolarHBondContact O-N 3.39Å; N488-I490 HydrophobicContact CB-CG1 4.32Å; N488-I490 PolarHBondContact O-N 3.27Å; N488-I490 VanDerWaalsContact O-N 3.14Å; N488-I490 WeakPolarHBondContact OD1-CG1 3.45Å; N488-I490 PolarHBondContact OD1-N 2.93Å; N488-C491 WeakPolarHBondContact O-CB 3.47Å; N488-C491 PolarHBondContact O-N 3.15Å
489	P	98.6	Very high	96.9	Very high	65 Å²	65	45 Å²	45	42%	0.422	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-53.4	-30.6	175.5	-29	36.4	0	0	0	114.7	C491 S492 Y495	P489-C491 PolarHBondContact O-N 3.09Å; P489-S492 VanDerWaalsContact O-CB 3.26Å; P489-S492 WeakPolarHBondContact O-CB 3.41Å; P489-S492 PolarHBondContact O-N 3.08Å; P489-S492 PolarHBondContact O-OG 3.03Å; P489-Y495 WeakPolarHBondContact O-CB 3.44Å
490	I	98.2	Very high	97.3	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-63.4	-22.2	178.3	73.1	156.2	0	0	0	113	L285 I288 G289 I292 N488 S492	L285-I490 HydrophobicContact CD2-CG2 3.93Å; I288-I490 HydrophobicContact CB-CD1 4.24Å; I288-I490 HydrophobicContact CG2-CD1 3.61Å; I288-I490 HydrophobicContact CG2-CG1 4.07Å; I288-I490 HydrophobicContact CG2-CG2 4.38Å; G289-I490 VanDerWaalsContact CA-CD1 3.5Å; I292-I490 HydrophobicContact CD1-CD1 4.09Å; I292-I490 HydrophobicContact CD1-CG1 4.18Å; N488-I490 HydrophobicContact CB-CG1 4.32Å; N488-I490 PolarHBondContact O-N 3.27Å; N488-I490 VanDerWaalsContact O-N 3.14Å; N488-I490 WeakPolarHBondContact OD1-CG1 3.45Å; N488-I490 PolarHBondContact OD1-N 2.93Å; I490-S492 VanDerWaalsContact C-N 3.3Å
491	C	98.1	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-84	-3.4	175.8	-58.7	0	0	0	0	112.8	P314 Y324 N488 P489	P314-C491 HydrophobicContact CB-CB 4.02Å; P314-C491 WeakPolarHBondContact CB-O 3.34Å; P314-C491 HydrophobicContact CG-CB 4.11Å; Y324-C491 HydrophobicContact CD1-CB 4.31Å; Y324-C491 HydrophobicContact CE1-CB 4.2Å; Y324-C491 WeakPolarHBondContact CE1-O 3.15Å; N488-C491 WeakPolarHBondContact O-CB 3.47Å; N488-C491 PolarHBondContact O-N 3.15Å; P489-C491 PolarHBondContact O-N 3.09Å
492	S	98.3	Very high	97.5	Very high	14 Å²	14	40 Å²	40	10%	0.098	22%	0.216	C	C	.	.	S	Bend	trans	-75.5	152.3	178.4	71	0	0	0	0	111.6	P489 I490 E494 Y495 W496	P489-S492 VanDerWaalsContact O-CB 3.26Å; P489-S492 WeakPolarHBondContact O-CB 3.41Å; P489-S492 PolarHBondContact O-N 3.08Å; P489-S492 PolarHBondContact O-OG 3.03Å; I490-S492 VanDerWaalsContact C-N 3.3Å; S492-E494 PolarHBondContact O-N 3.26Å; S492-Y495 PolarHBondContact O-N 3.4Å; S492-Y495 WeakPolarHBondContact OG-CD2 3.33Å; S492-Y495 PolarHBondContact OG-N 3.15Å; S492-W496 WeakPolarHBondContact O-CB 3.22Å; S492-W496 PolarHBondContact O-N 3.01Å
493	P	97.8	Very high	97.9	Very high	70 Å²	70	37 Å²	37	46%	0.455	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.9	175	-23	28.9	0	0	0	113.8	F318	F318-P493 HydrophobicContact CB-CG 4.37Å; F318-P493 HydrophobicContact CD1-CB 4.31Å; F318-P493 HydrophobicContact CD1-CG 3.58Å; F318-P493 HydrophobicContact CD2-CB 4.35Å; F318-P493 HydrophobicContact CD2-CG 4.34Å; F318-P493 HydrophobicContact CE1-CB 4.3Å; F318-P493 HydrophobicContact CE1-CG 3.89Å; F318-P493 HydrophobicContact CE2-CB 4.33Å; F318-P493 HydrophobicContact CG-CB 4.34Å; F318-P493 HydrophobicContact CG-CG 3.84Å; F318-P493 HydrophobicContact CZ-CB 4.32Å; F318-P493 HydrophobicContact CZ-CG 4.4Å
494	E	98.3	Very high	98	Very high	122 Å²	122	38.8 Å²	38.8	57%	0.57	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-37.7	179.1	-178.1	56.1	-129.9	0	0	112.2	S492 K497	S492-E494 PolarHBondContact O-N 3.26Å; E494-K497 WeakPolarHBondContact O-CE 3.21Å; E494-K497 PolarHBondContact O-NZ 2.59Å; E494-K497 IonicContact OE1-NZ 3.71Å; E494-K497 PolarHBondContact OE1-NZ 2.66Å
495	Y	98.4	Very high	98.1	Very high	109 Å²	109	41.1 Å²	41.1	43%	0.427	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-26.9	-174.5	-76.9	-110.5	0	0	0	112.8	P489 S492 K497 T500	P489-Y495 WeakPolarHBondContact O-CB 3.44Å; S492-Y495 PolarHBondContact O-N 3.4Å; S492-Y495 WeakPolarHBondContact OG-CD2 3.33Å; S492-Y495 PolarHBondContact OG-N 3.15Å; Y495-K497 PolarHBondContact O-N 2.92Å; Y495-T500 HydrophobicContact CD1-CG2 4.24Å; Y495-T500 WeakPolarHBondContact O-CB 3.5Å; Y495-T500 WeakPolarHBondContact O-CG2 3.01Å; Y495-T500 PolarHBondContact O-OG1 3.47Å
496	W	98.5	Very high	98.2	Very high	20 Å²	20	40.9 Å²	40.9	8%	0.076	23%	0.226	C	C	.	.			trans	-77.9	70.3	-175.4	-169.4	-107.1	0	0	0	111.9	F312 P314 F318 S492 F501 F507 V510	F312-W496 HydrophobicContact CD1-CH2 4.33Å; F312-W496 AromaticContact CE1-CH2 3.49Å; F312-W496 HydrophobicContact CE1-CH2 3.49Å; F312-W496 VanDerWaalsContact CE1-CH2 3.49Å; F312-W496 HydrophobicContact CE1-CZ2 4.44Å; F312-W496 AromaticContact CE1-CZ3 3.85Å; F312-W496 HydrophobicContact CE1-CZ3 3.85Å; F312-W496 AromaticContact CZ-CH2 3.86Å; F312-W496 HydrophobicContact CZ-CH2 3.86Å; F312-W496 AromaticContact CZ-CZ3 3.85Å; F312-W496 HydrophobicContact CZ-CZ3 3.85Å; P314-W496 HydrophobicContact CB-CD2 4.05Å; P314-W496 HydrophobicContact CB-CG 4.02Å; P314-W496 HydrophobicContact CG-CD2 3.64Å; P314-W496 HydrophobicContact CG-CE3 3.85Å; P314-W496 HydrophobicContact CG-CG 4.16Å; P314-W496 HydrophobicContact CG-CH2 4.07Å; P314-W496 HydrophobicContact CG-CZ2 3.88Å; P314-W496 HydrophobicContact CG-CZ3 4.06Å; F318-W496 HydrophobicContact CZ-CB 3.96Å; F318-W496 AromaticContact CZ-CD1 3.86Å; F318-W496 HydrophobicContact CZ-CG 4.2Å; S492-W496 WeakPolarHBondContact O-CB 3.22Å; S492-W496 PolarHBondContact O-N 3.01Å; W496-F501 HydrophobicContact CE3-CE2 4.06Å; W496-F501 HydrophobicContact CE3-CZ 4.05Å; W496-F501 HydrophobicContact CZ3-CE2 4.27Å; W496-F501 HydrophobicContact CZ3-CZ 4.08Å; W496-F507 AromaticContact CD2-CE2 3.84Å; W496-F507 HydrophobicContact CD2-CE2 3.84Å; W496-F507 HydrophobicContact CD2-CZ 4.09Å; W496-F507 AromaticContact CE2-CE2 3.58Å; W496-F507 AromaticContact CE2-CZ 3.68Å; W496-F507 HydrophobicContact CE3-CE2 4.05Å; W496-F507 HydrophobicContact CG-CZ 4.4Å; W496-F507 AromaticContact CH2-CE2 3.85Å; W496-F507 HydrophobicContact CH2-CE2 3.85Å; W496-F507 AromaticContact CZ2-CE2 3.6Å; W496-F507 HydrophobicContact CZ2-CE2 3.6Å; W496-F507 HydrophobicContact CZ2-CZ 4.02Å; W496-F507 HydrophobicContact CZ3-CE2 4.06Å; W496-F507 AromaticContact NE1-CZ 3.71Å; W496-V510 HydrophobicContact CH2-CG1 3.76Å; W496-V510 HydrophobicContact CZ3-CG1 3.96Å
497	K	98.4	Very high	98.3	Very high	71 Å²	71	39.7 Å²	39.7	31%	0.309	22%	0.219	S	C	.	.	S	Bend	trans	-144.8	150.8	-179.5	58.4	-170.2	177.2	-146.6	0	110.3	E494 Y495 S499 T500 F501	E494-K497 WeakPolarHBondContact O-CE 3.21Å; E494-K497 PolarHBondContact O-NZ 2.59Å; E494-K497 IonicContact OE1-NZ 3.71Å; E494-K497 PolarHBondContact OE1-NZ 2.66Å; Y495-K497 PolarHBondContact O-N 2.92Å; K497-S499 PolarHBondContact O-N 3.06Å; K497-S499 VanDerWaalsContact O-N 3.15Å; K497-T500 WeakPolarHBondContact CG-OG1 3.44Å; K497-T500 WeakPolarHBondContact O-CB 3.39Å; K497-T500 PolarHBondContact O-N 3.16Å; K497-T500 VanDerWaalsContact O-N 3.08Å; K497-F501 WeakPolarHBondContact O-CD2 3.37Å
498	P	98.6	Very high	98.4	Very high	39 Å²	39	43 Å²	43	25%	0.253	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-53.9	-39.4	-176.5	-22.1	27	0	0	0	113.5	T500 F501 G502 G503 E504 F507	P498-T500 VanDerWaalsContact C-N 3.27Å; P498-T500 PolarHBondContact O-N 3.38Å; P498-F501 CarbonylContact O-C 3.59Å; P498-F501 PolarHBondContact O-N 3.09Å; P498-G502 PolarHBondContact O-N 3.49Å; P498-G503 WeakPolarHBondContact O-CA 3.32Å; P498-G503 PolarHBondContact O-N 2.8Å; P498-E504 WeakPolarHBondContact CB-OE1 3.25Å; P498-E504 WeakPolarHBondContact CG-OE1 3.28Å; P498-F507 HydrophobicContact CB-CB 4.37Å; P498-F507 HydrophobicContact CB-CD1 3.95Å; P498-F507 HydrophobicContact CB-CG 4.49Å; P498-F507 HydrophobicContact CG-CD1 3.64Å; P498-F507 HydrophobicContact CG-CE1 3.93Å
499	S	98.2	Very high	98.4	Very high	86 Å²	86	43.3 Å²	43.3	60%	0.601	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-62.6	-28.7	-178.4	54.1	0	0	0	0	114.3	K497 F501 G502	K497-S499 PolarHBondContact O-N 3.06Å; K497-S499 VanDerWaalsContact O-N 3.15Å; S499-F501 PolarHBondContact O-N 3.3Å; S499-G502 PolarHBondContact O-N 2.83Å
500	T	98.6	Very high	98.4	Very high	22 Å²	22	40.2 Å²	40.2	14%	0.135	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-62.9	-30	174.1	-58.7	0	0	0	0	111.9	L285 Y495 K497 P498	L285-T500 HydrophobicContact CD1-CG2 3.89Å; Y495-T500 HydrophobicContact CD1-CG2 4.24Å; Y495-T500 WeakPolarHBondContact O-CB 3.5Å; Y495-T500 WeakPolarHBondContact O-CG2 3.01Å; Y495-T500 PolarHBondContact O-OG1 3.47Å; K497-T500 WeakPolarHBondContact CG-OG1 3.44Å; K497-T500 WeakPolarHBondContact O-CB 3.39Å; K497-T500 PolarHBondContact O-N 3.16Å; K497-T500 VanDerWaalsContact O-N 3.08Å; P498-T500 VanDerWaalsContact C-N 3.27Å; P498-T500 PolarHBondContact O-N 3.38Å
501	F	98.7	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-104.4	18.1	-177.7	-54.5	-73.9	0	0	0	112	T282 L285 I286 W496 K497 P498 S499 G506 F507 V510	T282-F501 VanDerWaalsContact CG2-C 3.48Å; L285-F501 HydrophobicContact CB-CD1 4.27Å; L285-F501 HydrophobicContact CB-CE1 4.25Å; I286-F501 HydrophobicContact CG1-CB 3.99Å; I286-F501 HydrophobicContact CG1-CD1 3.94Å; I286-F501 HydrophobicContact CG1-CG 4.44Å; W496-F501 HydrophobicContact CE3-CE2 4.06Å; W496-F501 HydrophobicContact CE3-CZ 4.05Å; W496-F501 HydrophobicContact CZ3-CE2 4.27Å; W496-F501 HydrophobicContact CZ3-CZ 4.08Å; K497-F501 WeakPolarHBondContact O-CD2 3.37Å; P498-F501 CarbonylContact O-C 3.59Å; P498-F501 PolarHBondContact O-N 3.09Å; S499-F501 PolarHBondContact O-N 3.3Å; F501-G506 VanDerWaalsContact O-CA 3.31Å; F501-G506 WeakPolarHBondContact O-CA 3.4Å; F501-F507 HydrophobicContact CB-CB 4.28Å; F501-F507 HydrophobicContact CD2-CB 4.23Å; F501-F507 AromaticContact CD2-CD2 3.42Å; F501-F507 HydrophobicContact CD2-CD2 3.42Å; F501-F507 VanDerWaalsContact CD2-CD2 3.42Å; F501-F507 AromaticContact CD2-CE2 3.99Å; F501-F507 HydrophobicContact CD2-CE2 3.99Å; F501-F507 HydrophobicContact CD2-CG 4.06Å; F501-F507 AromaticContact CE2-CD2 3.66Å; F501-F507 HydrophobicContact CE2-CD2 3.66Å; F501-F507 AromaticContact CE2-CE2 3.77Å; F501-F507 HydrophobicContact CE2-CE2 3.77Å; F501-F507 HydrophobicContact CG-CD2 4.32Å; F501-V510 HydrophobicContact CD1-CG2 3.95Å; F501-V510 HydrophobicContact CE1-CG2 4.04Å; F501-V510 HydrophobicContact CG-CG2 4.44Å
502	G	98.1	Very high	98.4	Very high	4 Å²	4	47 Å²	47	4%	0.041	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	33.3	-178.8	0	0	0	0	0	114.7	H271 W274 P498 S499	H271-G502 PolarHBondContact NE2-O 3.47Å; W274-G502 VanDerWaalsContact CH2-CA 3.47Å; P498-G502 PolarHBondContact O-N 3.49Å; S499-G502 PolarHBondContact O-N 2.83Å
503	G	98.4	Very high	98.4	Very high	23 Å²	23	46.5 Å²	46.5	24%	0.237	25%	0.249	C	C	.	.	S	Bend	trans	99.4	-170.7	176.5	0	0	0	0	0	113.1	P498 V505 G506 F507	P498-G503 WeakPolarHBondContact O-CA 3.32Å; P498-G503 PolarHBondContact O-N 2.8Å; G503-V505 PolarHBondContact O-N 3.16Å; G503-G506 PolarHBondContact O-N 2.03Å; G503-F507 WeakPolarHBondContact O-CB 3.34Å; G503-F507 PolarHBondContact O-N 3.16Å; G503-F507 VanDerWaalsContact O-N 3.12Å
504	E	98.3	Very high	98.4	Very high	101 Å²	101	45.3 Å²	45.3	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-63.4	-30.3	-176.8	-70.3	-59.6	152.3	0	0	112.6	P498 F507 N508	P498-E504 WeakPolarHBondContact CB-OE1 3.25Å; P498-E504 WeakPolarHBondContact CG-OE1 3.28Å; E504-F507 PolarHBondContact O-N 2.71Å; E504-N508 WeakPolarHBondContact O-CB 3.01Å; E504-N508 PolarHBondContact O-N 3.08Å; E504-N508 PolarHBondContact O-ND2 3.22Å
505	V	97.9	Very high	98.5	Very high	58 Å²	58	39.6 Å²	39.6	35%	0.352	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-59.8	178.1	177.2	0	0	0	0	110.4	E270 G503 F507 N508 I509	E270-V505 HydrophobicContact CG-CG2 4.44Å; G503-V505 PolarHBondContact O-N 3.16Å; V505-F507 VanDerWaalsContact C-N 3.31Å; V505-F507 PolarHBondContact O-N 3.3Å; V505-N508 PolarHBondContact O-N 3.14Å; V505-I509 WeakPolarHBondContact O-CG1 3.28Å; V505-I509 PolarHBondContact O-N 3.09Å; V505-I509 VanDerWaalsContact O-N 3.12Å
506	G	98.4	Very high	98.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.3	-32.3	-180	0	0	0	0	0	113.1	F501 G503 N508 I509 V510	F501-G506 VanDerWaalsContact O-CA 3.31Å; F501-G506 WeakPolarHBondContact O-CA 3.4Å; G503-G506 PolarHBondContact O-N 2.03Å; G506-N508 PolarHBondContact O-N 3.34Å; G506-I509 WeakPolarHBondContact O-CB 3.44Å; G506-I509 PolarHBondContact O-N 3.18Å; G506-V510 PolarHBondContact O-N 3.4Å
507	F	98.6	Very high	98.5	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-35.8	176.3	-164.1	-154.3	0	0	0	112.6	W496 P498 F501 G503 E504 V505 V510 K511	W496-F507 AromaticContact CD2-CE2 3.84Å; W496-F507 HydrophobicContact CD2-CE2 3.84Å; W496-F507 HydrophobicContact CD2-CZ 4.09Å; W496-F507 AromaticContact CE2-CE2 3.58Å; W496-F507 AromaticContact CE2-CZ 3.68Å; W496-F507 HydrophobicContact CE3-CE2 4.05Å; W496-F507 HydrophobicContact CG-CZ 4.4Å; W496-F507 AromaticContact CH2-CE2 3.85Å; W496-F507 HydrophobicContact CH2-CE2 3.85Å; W496-F507 AromaticContact CZ2-CE2 3.6Å; W496-F507 HydrophobicContact CZ2-CE2 3.6Å; W496-F507 HydrophobicContact CZ2-CZ 4.02Å; W496-F507 HydrophobicContact CZ3-CE2 4.06Å; W496-F507 AromaticContact NE1-CZ 3.71Å; P498-F507 HydrophobicContact CB-CB 4.37Å; P498-F507 HydrophobicContact CB-CD1 3.95Å; P498-F507 HydrophobicContact CB-CG 4.49Å; P498-F507 HydrophobicContact CG-CD1 3.64Å; P498-F507 HydrophobicContact CG-CE1 3.93Å; F501-F507 HydrophobicContact CB-CB 4.28Å; F501-F507 HydrophobicContact CD2-CB 4.23Å; F501-F507 AromaticContact CD2-CD2 3.42Å; F501-F507 HydrophobicContact CD2-CD2 3.42Å; F501-F507 VanDerWaalsContact CD2-CD2 3.42Å; F501-F507 AromaticContact CD2-CE2 3.99Å; F501-F507 HydrophobicContact CD2-CE2 3.99Å; F501-F507 HydrophobicContact CD2-CG 4.06Å; F501-F507 AromaticContact CE2-CD2 3.66Å; F501-F507 HydrophobicContact CE2-CD2 3.66Å; F501-F507 AromaticContact CE2-CE2 3.77Å; F501-F507 HydrophobicContact CE2-CE2 3.77Å; F501-F507 HydrophobicContact CG-CD2 4.32Å; G503-F507 WeakPolarHBondContact O-CB 3.34Å; G503-F507 PolarHBondContact O-N 3.16Å; G503-F507 VanDerWaalsContact O-N 3.12Å; E504-F507 PolarHBondContact O-N 2.71Å; V505-F507 VanDerWaalsContact C-N 3.31Å; V505-F507 PolarHBondContact O-N 3.3Å; F507-V510 WeakPolarHBondContact O-CB 3.37Å; F507-V510 PolarHBondContact O-N 3.32Å; F507-K511 HydrophobicContact CD1-CD 4.44Å; F507-K511 HydrophobicContact CD2-CG 4.46Å; F507-K511 HydrophobicContact CE2-CG 4.48Å; F507-K511 WeakPolarHBondContact O-CG 3.3Å; F507-K511 PolarHBondContact O-N 3.21Å
508	N	98.6	Very high	98.5	Very high	71 Å²	71	40.3 Å²	40.3	38%	0.38	22%	0.221	S	C	.	.	H	α-helix	trans	-72.8	-30	175.5	-73.6	-33.1	0	0	0	112.8	E504 V505 G506 V510 K511 T512	E504-N508 WeakPolarHBondContact O-CB 3.01Å; E504-N508 PolarHBondContact O-N 3.08Å; E504-N508 PolarHBondContact O-ND2 3.22Å; V505-N508 PolarHBondContact O-N 3.14Å; G506-N508 PolarHBondContact O-N 3.34Å; N508-V510 VanDerWaalsContact C-N 3.34Å; N508-K511 PolarHBondContact O-N 3.21Å; N508-T512 WeakPolarHBondContact O-CB 3.47Å; N508-T512 WeakPolarHBondContact O-CG2 3.46Å; N508-T512 PolarHBondContact O-N 2.85Å; N508-T512 PolarHBondContact O-OG1 2.87Å
509	I	98.7	Very high	98.5	Very high	22 Å²	22	38.5 Å²	38.5	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-53.3	168	-65.8	170.8	0	0	0	108.6	V263 L266 I286 E290 V505 G506 K511 T512 A513	V263-I509 HydrophobicContact CG2-CD1 4.32Å; L266-I509 HydrophobicContact CD1-CD1 3.81Å; I286-I509 HydrophobicContact CG2-CB 4.05Å; I286-I509 HydrophobicContact CG2-CG2 3.58Å; E290-I509 VanDerWaalsContact CD-CG2 3.43Å; E290-I509 HydrophobicContact CG-CG2 3.94Å; E290-I509 VanDerWaalsContact OE1-CG2 3.31Å; E290-I509 WeakPolarHBondContact OE1-CG2 3.41Å; V505-I509 WeakPolarHBondContact O-CG1 3.28Å; V505-I509 PolarHBondContact O-N 3.09Å; V505-I509 VanDerWaalsContact O-N 3.12Å; G506-I509 WeakPolarHBondContact O-CB 3.44Å; G506-I509 PolarHBondContact O-N 3.18Å; I509-K511 PolarHBondContact O-N 3.38Å; I509-T512 PolarHBondContact O-N 3.18Å; I509-A513 WeakPolarHBondContact O-CB 3.35Å; I509-A513 PolarHBondContact O-N 3.29Å
510	V	98.6	Very high	98.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-50.9	176.5	175.2	0	0	0	0	112.1	I286 K293 F312 W496 F501 G506 F507 N508 T512	I286-V510 HydrophobicContact CB-CG2 4.31Å; I286-V510 HydrophobicContact CG2-CG2 4.02Å; I286-V510 WeakPolarHBondContact O-CG2 3.12Å; K293-V510 WeakPolarHBondContact CD-O 3.07Å; F312-V510 HydrophobicContact CE1-CG1 4.27Å; W496-V510 HydrophobicContact CH2-CG1 3.76Å; W496-V510 HydrophobicContact CZ3-CG1 3.96Å; F501-V510 HydrophobicContact CD1-CG2 3.95Å; F501-V510 HydrophobicContact CE1-CG2 4.04Å; F501-V510 HydrophobicContact CG-CG2 4.44Å; G506-V510 PolarHBondContact O-N 3.4Å; F507-V510 WeakPolarHBondContact O-CB 3.37Å; F507-V510 PolarHBondContact O-N 3.32Å; N508-V510 VanDerWaalsContact C-N 3.34Å; V510-T512 VanDerWaalsContact C-N 3.26Å; V510-T512 PolarHBondContact O-N 3.48Å
511	K	98.1	Very high	98.5	Very high	80 Å²	80	39.2 Å²	39.2	35%	0.348	21%	0.206	S	C	.	.	H	α-helix	trans	-67.7	-22.2	-174.6	-72.2	174.6	-175.1	171.7	0	114.3	K293 F507 N508 I509	K293-K511 WeakPolarHBondContact CD-O 3.46Å; K293-K511 WeakPolarHBondContact CE-O 3.23Å; K293-K511 PolarHBondContact NZ-O 3.39Å; F507-K511 HydrophobicContact CD1-CD 4.44Å; F507-K511 HydrophobicContact CD2-CG 4.46Å; F507-K511 HydrophobicContact CE2-CG 4.48Å; F507-K511 WeakPolarHBondContact O-CG 3.3Å; F507-K511 PolarHBondContact O-N 3.21Å; N508-K511 PolarHBondContact O-N 3.21Å; I509-K511 PolarHBondContact O-N 3.38Å
512	T	98.4	Very high	98.5	Very high	67 Å²	67	39.9 Å²	39.9	41%	0.411	21%	0.21	S	C	.	.	H	α-helix	trans	-119.2	8.6	-173.7	72.9	0	0	0	0	113.7	N508 I509 V510 K517	N508-T512 WeakPolarHBondContact O-CB 3.47Å; N508-T512 WeakPolarHBondContact O-CG2 3.46Å; N508-T512 PolarHBondContact O-N 2.85Å; N508-T512 PolarHBondContact O-OG1 2.87Å; I509-T512 PolarHBondContact O-N 3.18Å; V510-T512 VanDerWaalsContact C-N 3.26Å; V510-T512 PolarHBondContact O-N 3.48Å; T512-K517 WeakPolarHBondContact O-CD 3.42Å; T512-K517 PolarHBondContact O-NZ 2.93Å; T512-K517 PolarHBondContact OG1-NZ 3.11Å; T512-K517 VanDerWaalsContact OG1-NZ 3.17Å
513	A	98.8	Very high	98.5	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	21%	0.214	C	C	.	.			trans	-59.2	137.8	176.6	0	0	0	0	0	111.3	E290 K293 I294 I509	E290-A513 HydrophobicContact CB-CB 3.71Å; E290-A513 HydrophobicContact CG-CB 3.71Å; K293-A513 HydrophobicContact CD-CB 4.08Å; K293-A513 WeakPolarHBondContact CD-O 3.25Å; K293-A513 WeakPolarHBondContact CE-O 3.19Å; I294-A513 HydrophobicContact CD1-CB 4.44Å; I294-A513 HydrophobicContact CG1-CB 4.34Å; I509-A513 WeakPolarHBondContact O-CB 3.35Å; I509-A513 PolarHBondContact O-N 3.29Å
514	T	98.8	Very high	98.4	Very high	46 Å²	46	46.4 Å²	46.4	28%	0.282	23%	0.232	S	C	.	.			trans	-142.4	156.4	172.6	66.5	0	0	0	0	109.6	E298 K516 K517 L518	E298-T514 WeakPolarHBondContact OE1-CA 3.05Å; E298-T514 VanDerWaalsContact OE1-CB 3.27Å; E298-T514 WeakPolarHBondContact OE1-CB 3.3Å; T514-K516 PolarHBondContact O-N 2.83Å; T514-K517 PolarHBondContact O-N 3.27Å; T514-K517 VanDerWaalsContact O-N 3.14Å; T514-K517 WeakPolarHBondContact OG1-CB 3.47Å; T514-K517 WeakPolarHBondContact OG1-CG 3.36Å; T514-K517 PolarHBondContact OG1-N 2.75Å; T514-L518 PolarHBondContact O-N 2.77Å
515	L	98.7	Very high	98.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-55.3	-40.6	173.5	-179.2	68.1	0	0	0	110.8	M148 Y252 I294 E298 L518 V519 V529 F531	M148-L515 HydrophobicContact CE-CD1 4.28Å; M148-L515 HydrophobicContact CG-CD2 4.49Å; Y252-L515 HydrophobicContact CE1-CD1 4.39Å; I294-L515 HydrophobicContact CG2-CB 4.27Å; E298-L515 PolarHBondContact OE1-N 3.05Å; E298-L515 VanDerWaalsContact OE2-CB 3.31Å; E298-L515 WeakPolarHBondContact OE2-CB 3.41Å; L515-L518 PolarHBondContact O-N 3.31Å; L515-V519 PolarHBondContact O-N 2.66Å; L515-V529 HydrophobicContact CD2-CG2 3.8Å; L515-V529 HydrophobicContact CG-CG2 3.73Å; L515-F531 HydrophobicContact CD1-CE1 4.17Å; L515-F531 HydrophobicContact CD1-CZ 3.96Å; L515-F531 HydrophobicContact CD2-CD1 3.71Å; L515-F531 HydrophobicContact CD2-CD2 4.14Å; L515-F531 HydrophobicContact CD2-CE1 3.53Å; L515-F531 HydrophobicContact CD2-CE2 3.96Å; L515-F531 HydrophobicContact CD2-CG 4.02Å; L515-F531 HydrophobicContact CD2-CZ 3.67Å; L515-F531 HydrophobicContact CG-CE1 4.46Å; L515-F531 HydrophobicContact CG-CZ 4.3Å
516	K	98.6	Very high	98.2	Very high	124 Å²	124	46.5 Å²	46.5	54%	0.539	24%	0.242	S	C	.	.	H	α-helix	trans	-62.3	-43.9	177.9	-175.1	173.3	-177.1	177.9	0	112.5	T514 V519 C520 V529	T514-K516 PolarHBondContact O-N 2.83Å; K516-V519 PolarHBondContact O-N 3.32Å; K516-C520 VanDerWaalsContact O-CB 3.29Å; K516-C520 WeakPolarHBondContact O-CB 3.44Å; K516-C520 PolarHBondContact O-N 2.95Å; K516-C520 PolarHBondContact O-SG 3.12Å; K516-C520 VanDerWaalsContact O-SG 3.35Å; K516-V529 HydrophobicContact CB-CG1 3.94Å; K516-V529 HydrophobicContact CG-CG1 3.8Å
517	K	98.7	Very high	98.2	Very high	90 Å²	90	47.4 Å²	47.4	39%	0.391	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-43.1	176.2	-78.4	178.7	175.7	178.8	0	111.6	T512 T514 V519 C520 L521	T512-K517 WeakPolarHBondContact O-CD 3.42Å; T512-K517 PolarHBondContact O-NZ 2.93Å; T512-K517 PolarHBondContact OG1-NZ 3.11Å; T512-K517 VanDerWaalsContact OG1-NZ 3.17Å; T514-K517 PolarHBondContact O-N 3.27Å; T514-K517 VanDerWaalsContact O-N 3.14Å; T514-K517 WeakPolarHBondContact OG1-CB 3.47Å; T514-K517 WeakPolarHBondContact OG1-CG 3.36Å; T514-K517 PolarHBondContact OG1-N 2.75Å; K517-V519 VanDerWaalsContact C-N 3.25Å; K517-V519 PolarHBondContact O-N 3.34Å; K517-C520 PolarHBondContact O-N 3.47Å; K517-L521 HydrophobicContact CB-CD1 4.08Å; K517-L521 HydrophobicContact CB-CG 4.5Å; K517-L521 HydrophobicContact CG-CD1 4.44Å; K517-L521 VanDerWaalsContact O-CB 3.23Å; K517-L521 WeakPolarHBondContact O-CB 3.43Å; K517-L521 VanDerWaalsContact O-CG 3.3Å; K517-L521 WeakPolarHBondContact O-CG 3.34Å; K517-L521 PolarHBondContact O-N 3.34Å
518	L	98.8	Very high	98.2	Very high	2 Å²	2	50 Å²	50	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-54.6	-43.4	176.7	171.7	63.6	0	0	0	111.4	W256 E259 I294 T514 L515 N522	W256-L518 HydrophobicContact CD2-CD1 4.18Å; W256-L518 HydrophobicContact CD2-CD2 4.26Å; W256-L518 HydrophobicContact CE3-CD1 3.83Å; W256-L518 HydrophobicContact CE3-CD2 4.46Å; W256-L518 HydrophobicContact CH2-CD1 4.22Å; W256-L518 HydrophobicContact CH2-CD2 3.73Å; W256-L518 HydrophobicContact CZ2-CD2 3.47Å; W256-L518 VanDerWaalsContact CZ2-CD2 3.47Å; W256-L518 HydrophobicContact CZ3-CD1 3.85Å; W256-L518 HydrophobicContact CZ3-CD2 4.22Å; E259-L518 HydrophobicContact CB-CD1 3.72Å; E259-L518 HydrophobicContact CG-CD1 3.88Å; I294-L518 HydrophobicContact CD1-CB 4.32Å; I294-L518 HydrophobicContact CD1-CD2 4.29Å; T514-L518 PolarHBondContact O-N 2.77Å; L515-L518 PolarHBondContact O-N 3.31Å; L518-N522 WeakPolarHBondContact O-CB 3.43Å; L518-N522 PolarHBondContact O-ND2 3.18Å
519	V	98.8	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.6	-60.8	175.8	174.9	0	0	0	0	110.8	M148 L255 V374 L515 K516 K517 L521 N522 T523 P527 V529	M148-V519 HydrophobicContact CE-CG2 4.03Å; L255-V519 HydrophobicContact CD1-CG2 3.97Å; L255-V519 HydrophobicContact CD2-CG2 4.27Å; V374-V519 HydrophobicContact CB-CG1 4.49Å; V374-V519 HydrophobicContact CG1-CG1 4.06Å; V374-V519 HydrophobicContact CG1-CG2 4.33Å; V374-V519 HydrophobicContact CG2-CG1 4.2Å; V374-V519 HydrophobicContact CG2-CG2 4.33Å; L515-V519 PolarHBondContact O-N 2.66Å; K516-V519 PolarHBondContact O-N 3.32Å; K517-V519 VanDerWaalsContact C-N 3.25Å; K517-V519 PolarHBondContact O-N 3.34Å; V519-L521 VanDerWaalsContact C-N 3.3Å; V519-L521 PolarHBondContact O-N 3.11Å; V519-N522 CarbonylContact O-C 2.98Å; V519-N522 WeakPolarHBondContact O-CA 3.05Å; V519-N522 PolarHBondContact O-N 3.2Å; V519-T523 HydrophobicContact CG1-CG2 4.06Å; V519-T523 WeakPolarHBondContact O-CG2 3.17Å; V519-T523 PolarHBondContact O-N 3.4Å; V519-T523 PolarHBondContact O-OG1 3.3Å; V519-T523 VanDerWaalsContact O-OG1 3.1Å; V519-P527 HydrophobicContact CG1-CG 3.85Å; V519-V529 HydrophobicContact CB-CG1 4.47Å; V519-V529 HydrophobicContact CB-CG2 4.27Å; V519-V529 HydrophobicContact CG2-CB 4.49Å; V519-V529 HydrophobicContact CG2-CG2 3.76Å
520	C	98.6	Very high	98.1	Very high	29 Å²	29	47.9 Å²	47.9	20%	0.196	25%	0.25	C	S	.	.	H	α-helix	trans	-71.3	-20.5	-164.7	-61.5	0	0	0	0	114.7	K516 K517 N522 C526	K516-C520 VanDerWaalsContact O-CB 3.29Å; K516-C520 WeakPolarHBondContact O-CB 3.44Å; K516-C520 PolarHBondContact O-N 2.95Å; K516-C520 PolarHBondContact O-SG 3.12Å; K516-C520 VanDerWaalsContact O-SG 3.35Å; K517-C520 PolarHBondContact O-N 3.47Å; C520-N522 VanDerWaalsContact C-N 3.3Å; C520-C526 HydrophobicContact CB-CB 3.6Å; C520-C526 WeakPolarHBondContact CB-SG 3.48Å; C520-C526 WeakPolarHBondContact SG-CA 3.4Å; C520-C526 WeakPolarHBondContact SG-CB 3.38Å; C520-C526 CovalentContact SG-SG 2.03Å; C520-C526 PolarHBondContact SG-SG 3.49Å
521	L	98.6	Very high	98.1	Very high	95 Å²	95	48.3 Å²	48.3	50%	0.497	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.1	171.7	-62.8	176.9	0	0	0	113	K517 V519	K517-L521 HydrophobicContact CB-CD1 4.08Å; K517-L521 HydrophobicContact CB-CG 4.5Å; K517-L521 HydrophobicContact CG-CD1 4.44Å; K517-L521 VanDerWaalsContact O-CB 3.23Å; K517-L521 WeakPolarHBondContact O-CB 3.43Å; K517-L521 VanDerWaalsContact O-CG 3.3Å; K517-L521 WeakPolarHBondContact O-CG 3.34Å; K517-L521 PolarHBondContact O-N 3.34Å; V519-L521 VanDerWaalsContact C-N 3.3Å; V519-L521 PolarHBondContact O-N 3.11Å
522	N	98.6	Very high	98.1	Very high	14 Å²	14	49.9 Å²	49.9	8%	0.075	26%	0.256	C	S	.	.	S	Bend	trans	-119.3	14.6	-177.2	-67.6	-68.8	0	0	0	112.8	L255 R258 E259 L518 V519 C520	L255-N522 HydrophobicContact CD2-CB 4.47Å; R258-N522 HydrophobicContact CB-CB 3.79Å; R258-N522 WeakPolarHBondContact CB-OD1 3.31Å; R258-N522 VanDerWaalsContact CD-O 3.23Å; R258-N522 WeakPolarHBondContact CD-O 3.29Å; R258-N522 PolarHBondContact NH1-O 3.49Å; R258-N522 PolarHBondContact O-OD1 3.38Å; E259-N522 WeakPolarHBondContact CA-OD1 3.5Å; E259-N522 PolarHBondContact N-OD1 3.32Å; E259-N522 VanDerWaalsContact N-OD1 3.16Å; E259-N522 PolarHBondContact OE2-ND2 3.12Å; L518-N522 WeakPolarHBondContact O-CB 3.43Å; L518-N522 PolarHBondContact O-ND2 3.18Å; V519-N522 CarbonylContact O-C 2.98Å; V519-N522 WeakPolarHBondContact O-CA 3.05Å; V519-N522 PolarHBondContact O-N 3.2Å; C520-N522 VanDerWaalsContact C-N 3.3Å
523	T	97.6	Very high	98	Very high	20 Å²	20	48 Å²	48	12%	0.123	24%	0.244	C	C	.	.	S	Bend	trans	-131.7	157.6	178	56.2	0	0	0	0	110.5	L255 V370 E371 V519 T525	L255-T523 HydrophobicContact CD2-CG2 4.48Å; V370-T523 HydrophobicContact CB-CG2 4.23Å; V370-T523 HydrophobicContact CG1-CG2 3.64Å; E371-T523 HydrophobicContact CG-CG2 3.93Å; E371-T523 VanDerWaalsContact OE1-CB 3.27Å; E371-T523 WeakPolarHBondContact OE1-CB 3.47Å; V519-T523 HydrophobicContact CG1-CG2 4.06Å; V519-T523 WeakPolarHBondContact O-CG2 3.17Å; V519-T523 PolarHBondContact O-N 3.4Å; V519-T523 PolarHBondContact O-OG1 3.3Å; V519-T523 VanDerWaalsContact O-OG1 3.1Å; T523-T525 VanDerWaalsContact CB-O 3.28Å; T523-T525 WeakPolarHBondContact CB-O 3.31Å; T523-T525 PolarHBondContact OG1-O 2.67Å
524	K	95.4	Very high	97.9	Very high	143 Å²	143	49.6 Å²	49.6	62%	0.622	25%	0.254	S	S	*	.	S	Bend	trans	-72.1	-34.7	177.7	-73.6	179.6	179.4	140.7	0	111.8	G210 E211 E371	G210-K524 PolarHBondContact O-NZ 3.49Å; G210-K524 VanDerWaalsContact O-NZ 3.12Å; E211-K524 WeakPolarHBondContact OE1-CD 3.28Å; E211-K524 WeakPolarHBondContact OE1-CE 3.28Å; E211-K524 WeakPolarHBondContact OE1-CG 3.3Å; E211-K524 IonicContact OE1-NZ 3.66Å; E211-K524 PolarHBondContact OE1-NZ 3.47Å; E371-K524 PolarHBondContact OE1-N 3.42Å
525	T	96.4	Very high	97.2	Very high	92 Å²	92	51.3 Å²	51.3	56%	0.564	26%	0.262	S	S	*	.	S	Bend	trans	-126	154	175.2	64.6	0	0	0	0	109.6	T523 P527	T523-T525 VanDerWaalsContact CB-O 3.28Å; T523-T525 WeakPolarHBondContact CB-O 3.31Å; T523-T525 PolarHBondContact OG1-O 2.67Å; T525-P527 WeakPolarHBondContact O-CD 3.49Å
526	C	97.7	Very high	95.5	Very high	70 Å²	70	56 Å²	56	47%	0.473	30%	0.301	S	S	.	.			trans	-95.6	101	-179.1	-176.2	0	0	0	0	109.5	C520	C520-C526 HydrophobicContact CB-CB 3.6Å; C520-C526 WeakPolarHBondContact CB-SG 3.48Å; C520-C526 WeakPolarHBondContact SG-CA 3.4Å; C520-C526 WeakPolarHBondContact SG-CB 3.38Å; C520-C526 CovalentContact SG-SG 2.03Å; C520-C526 PolarHBondContact SG-SG 3.49Å
527	P	97.5	Very high	93.1	Very high	19 Å²	19	55.3 Å²	55.3	12%	0.123	31%	0.311	C	S	.	.			trans	-71.5	174.8	178.9	31.8	-37.5	0	0	0	111.8	E371 V374 D375 V519 T525 V529	E371-P527 WeakPolarHBondContact O-CB 3.48Å; V374-P527 HydrophobicContact CB-CG 3.96Å; V374-P527 HydrophobicContact CG1-CB 4.47Å; V374-P527 HydrophobicContact CG1-CG 3.75Å; D375-P527 HydrophobicContact CB-CB 3.97Å; V519-P527 HydrophobicContact CG1-CG 3.85Å; T525-P527 WeakPolarHBondContact O-CD 3.49Å; P527-V529 PolarHBondContact O-N 3.13Å
528	Y	97.9	Very high	90.5	Very high	63 Å²	63	58 Å²	58	25%	0.247	33%	0.325	C	S	.	.			trans	-64.6	121.9	163.2	178.4	-101.3	0	0	0	109.1	D375 S378 R379 S530 R532 P534	D375-Y528 WeakPolarHBondContact OD1-CB 3.48Å; S378-Y528 WeakPolarHBondContact CB-O 3.38Å; R379-Y528 HydrophobicContact CG-CD1 4.21Å; Y528-S530 WeakPolarHBondContact OH-CB 3.45Å; Y528-R532 PolarHBondContact OH-O 2.65Å; Y528-P534 HydrophobicContact CE1-CB 4.31Å; Y528-P534 HydrophobicContact CE1-CG 4.25Å; Y528-P534 HydrophobicContact CE2-CB 4.23Å; Y528-P534 WeakPolarHBondContact OH-CA 3.48Å
529	V	98.2	Very high	87.7	Confident	18 Å²	18	63.9 Å²	63.9	11%	0.109	36%	0.356	C	S	.	.			trans	-136.5	123.8	-179.4	56.6	0	0	0	0	109.6	M148 V374 L515 K516 V519 P527	M148-V529 HydrophobicContact CE-CG2 4.33Å; V374-V529 HydrophobicContact CG1-CB 3.84Å; V374-V529 HydrophobicContact CG1-CG2 3.99Å; L515-V529 HydrophobicContact CD2-CG2 3.8Å; L515-V529 HydrophobicContact CG-CG2 3.73Å; K516-V529 HydrophobicContact CB-CG1 3.94Å; K516-V529 HydrophobicContact CG-CG1 3.8Å; V519-V529 HydrophobicContact CB-CG1 4.47Å; V519-V529 HydrophobicContact CB-CG2 4.27Å; V519-V529 HydrophobicContact CG2-CB 4.49Å; V519-V529 HydrophobicContact CG2-CG2 3.76Å; P527-V529 PolarHBondContact O-N 3.13Å
530	S	98.2	Very high	84.7	Confident	30 Å²	30	72 Å²	72	21%	0.21	40%	0.4	C	S	.	.			trans	-164.8	161	-178.4	175.3	0	0	0	0	108.8	N146 S378 Y528 R532	N146-S530 PolarHBondContact ND2-O 3.31Å; N146-S530 PolarHBondContact OD1-O 3.01Å; S378-S530 PolarHBondContact OG-N 3.27Å; S378-S530 PolarHBondContact OG-O 2.94Å; Y528-S530 WeakPolarHBondContact OH-CB 3.45Å; S530-R532 VanDerWaalsContact CB-O 3.23Å; S530-R532 WeakPolarHBondContact CB-O 3.49Å; S530-R532 PolarHBondContact OG-N 2.88Å; S530-R532 PolarHBondContact OG-O 2.96Å
531	F	98.6	Very high	81.6	Confident	9 Å²	9	73.4 Å²	73.4	4%	0.039	42%	0.419	C	S	.	.	S	Bend	trans	-89.3	-5.6	165.9	-72.3	-38.5	0	0	0	113.9	T145 N146 F149 F152 I294 E298 Y299 Q302 L515	T145-F531 WeakPolarHBondContact CA-O 3.4Å; N146-F531 PolarHBondContact N-O 3.16Å; N146-F531 VanDerWaalsContact ND2-C 3.31Å; N146-F531 PolarHBondContact OD1-O 3.44Å; F149-F531 VanDerWaalsContact CA-CD1 3.45Å; F149-F531 HydrophobicContact CB-CB 4.04Å; F149-F531 HydrophobicContact CB-CD1 3.72Å; F149-F531 HydrophobicContact CB-CG 4.15Å; F149-F531 HydrophobicContact CD2-CB 3.97Å; F149-F531 HydrophobicContact CD2-CD1 4.24Å; F149-F531 HydrophobicContact CD2-CD2 4.5Å; F149-F531 HydrophobicContact CD2-CG 4.01Å; F149-F531 HydrophobicContact CG-CD1 4.45Å; F152-F531 HydrophobicContact CB-CE1 3.62Å; F152-F531 HydrophobicContact CB-CZ 3.98Å; F152-F531 HydrophobicContact CD1-CE1 4.24Å; F152-F531 AromaticContact CD1-CZ 3.75Å; F152-F531 HydrophobicContact CD1-CZ 3.75Å; F152-F531 HydrophobicContact CD2-CE1 4.12Å; F152-F531 AromaticContact CD2-CZ 3.74Å; F152-F531 HydrophobicContact CD2-CZ 3.74Å; F152-F531 HydrophobicContact CE1-CZ 4.11Å; F152-F531 HydrophobicContact CE2-CZ 4.11Å; F152-F531 AromaticContact CG-CE1 3.74Å; F152-F531 HydrophobicContact CG-CE1 3.74Å; F152-F531 AromaticContact CG-CZ 3.54Å; F152-F531 HydrophobicContact CG-CZ 3.54Å; F152-F531 HydrophobicContact CZ-CZ 4.27Å; I294-F531 HydrophobicContact CG2-CE2 4.34Å; E298-F531 HydrophobicContact CB-CD2 4.04Å; E298-F531 HydrophobicContact CB-CE2 4.02Å; Y299-F531 HydrophobicContact CD2-CE2 4.46Å; Q302-F531 HydrophobicContact CB-CB 4.13Å; Q302-F531 HydrophobicContact CG-CB 3.99Å; L515-F531 HydrophobicContact CD1-CE1 4.17Å; L515-F531 HydrophobicContact CD1-CZ 3.96Å; L515-F531 HydrophobicContact CD2-CD1 3.71Å; L515-F531 HydrophobicContact CD2-CD2 4.14Å; L515-F531 HydrophobicContact CD2-CE1 3.53Å; L515-F531 HydrophobicContact CD2-CE2 3.96Å; L515-F531 HydrophobicContact CD2-CG 4.02Å; L515-F531 HydrophobicContact CD2-CZ 3.67Å; L515-F531 HydrophobicContact CG-CE1 4.46Å; L515-F531 HydrophobicContact CG-CZ 4.3Å
532	R	97.3	Very high	78.6	Confident	113 Å²	113	74.8 Å²	74.8	43%	0.426	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-116.1	144.1	174.3	-171.8	178.5	156.9	176	-9.6	110	G144 N146 Y528 S530 D535	G144-R532 CarbonylContact O-C 3.53Å; G144-R532 VanDerWaalsContact O-CA 3.26Å; G144-R532 WeakPolarHBondContact O-CA 3.42Å; G144-R532 WeakPolarHBondContact O-CG 3.37Å; N146-R532 VanDerWaalsContact ND2-C 3.34Å; N146-R532 PolarHBondContact ND2-N 3.34Å; N146-R532 PolarHBondContact ND2-O 2.93Å; Y528-R532 PolarHBondContact OH-O 2.65Å; S530-R532 VanDerWaalsContact CB-O 3.23Å; S530-R532 WeakPolarHBondContact CB-O 3.49Å; S530-R532 PolarHBondContact OG-N 2.88Å; S530-R532 PolarHBondContact OG-O 2.96Å; R532-D535 IonicContact CZ-OD1 3.57Å; R532-D535 IonicContact NH2-OD1 3.59Å; R532-D535 PolarHBondContact NH2-OD1 3.35Å
533	V	97.4	Very high	75.9	Confident	28 Å²	28	78.9 Å²	78.9	17%	0.17	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-60.1	150.9	170.5	-61.5	0	0	0	0	111.2	G144 N146 R379 I381	G144-V533 PolarHBondContact O-N 2.93Å; N146-V533 HydrophobicContact CB-CG1 3.79Å; R379-V533 WeakPolarHBondContact O-CG1 3.27Å; I381-V533 HydrophobicContact CB-CG1 3.92Å; I381-V533 HydrophobicContact CG1-CG1 4.29Å
534	P	94.8	Very high	72.8	Confident	35 Å²	35	83.7 Å²	83.7	23%	0.227	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-63.5	148.3	177.3	26.1	-33	0	0	0	111.2	R379 Y528	R379-P534 HydrophobicContact CG-CG 4.37Å; Y528-P534 HydrophobicContact CE1-CB 4.31Å; Y528-P534 HydrophobicContact CE1-CG 4.25Å; Y528-P534 HydrophobicContact CE2-CB 4.23Å; Y528-P534 WeakPolarHBondContact OH-CA 3.48Å
535	D	84.7	Confident	70	Confident	83 Å²	83	85.8 Å²	85.8	44%	0.444	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-68.2	136.4	174.7	-69.5	-34.9	0	0	0	109.8	R532 S537 Q538	R532-D535 IonicContact CZ-OD1 3.57Å; R532-D535 IonicContact NH2-OD1 3.59Å; R532-D535 PolarHBondContact NH2-OD1 3.35Å; D535-S537 PolarHBondContact O-N 3.35Å; D535-Q538 PolarHBondContact O-N 3.05Å
536	A	63.1	Low	67	Low	100 Å²	100	92 Å²	92	83%	0.826	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-59.5	-12.1	-175.7	0	0	0	0	0	114.9	Q538	A536-Q538 VanDerWaalsContact C-N 3.35Å
537	S	47.7	Very low	63.9	Low	109 Å²	109	94 Å²	94	76%	0.762	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-84.2	-2.5	176.8	56.7	0	0	0	0	114.6	D535	D535-S537 PolarHBondContact O-N 3.35Å
538	Q	45.5	Very low	61.1	Low	145 Å²	145	99 Å²	99	68%	0.678	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-100.6	1	178.3	-68.5	-171.7	2.5	0	0	114.2	D535 A536	D535-Q538 PolarHBondContact O-N 3.05Å; A536-Q538 VanDerWaalsContact C-N 3.35Å
539	D	39.9	Very low	58.6	Low	126 Å²	126	102 Å²	102	67%	0.674	60%	0.597	S	S	*	*	S	Bend	trans	-95.1	-0.9	-173.1	-129	11.3	0	0	0	114.8
540	D	34.3	Very low	55.7	Low	172 Å²	172	110.4 Å²	110.4	92%	0.92	64%	0.635	S	S	*	*	S	Bend	trans	-106.5	75.7	173.8	-79.3	-30.1	0	0	0	111.2
541	G	33.9	Very low	52.7	Low	57 Å²	57	120.9 Å²	120.9	59%	0.588	69%	0.687	S	S	*	*	S	Bend	trans	-176.9	134.6	167.1	0	0	0	0	0	113.6	A543	G541-A543 PolarHBondContact O-N 2.81Å
542	P	36.9	Very low	50.4	Low	125 Å²	125	126.5 Å²	126.5	81%	0.812	72%	0.719	S	S	*	*			trans	-62.6	134.5	177.3	26.3	-30.9	0	0	0	109.8	V544	P542-V544 PolarHBondContact O-N 3.03Å
543	A	41	Very low	47.9	Very low	100 Å²	100	127.2 Å²	127.2	83%	0.826	74%	0.735	S	S	*	*			trans	-51.5	107.1	178.6	0	0	0	0	0	110.7	G541 E545	G541-A543 PolarHBondContact O-N 2.81Å; A543-E545 PolarHBondContact O-N 3.24Å
544	V	32.2	Very low	45.2	Very low	121 Å²	121	132.7 Å²	132.7	73%	0.733	77%	0.766	S	S	*	*			trans	-81.6	100.3	165.7	179	0	0	0	0	106.4	P542 R546	P542-V544 PolarHBondContact O-N 3.03Å; V544-R546 HydrophobicContact CG1-CG 4.48Å; V544-R546 PolarHBondContact O-N 3.46Å; V544-R546 VanDerWaalsContact O-N 3.07Å
545	E	37.6	Very low	42.2	Very low	186 Å²	186	138.5 Å²	138.5	87%	0.869	80%	0.798	S	S	*	*			trans	-50.5	112.9	163.4	-72.3	-179.3	161.3	0	0	108.6	A543	A543-E545 PolarHBondContact O-N 3.24Å
546	R	33.4	Very low	39.6	Very low	223 Å²	223	141.9 Å²	141.9	84%	0.842	82%	0.82	S	S	*	*			trans	-101	122	163.3	-72.5	-170.8	-173.9	-178.2	3.3	107.7	V544	V544-R546 HydrophobicContact CG1-CG 4.48Å; V544-R546 PolarHBondContact O-N 3.46Å; V544-R546 VanDerWaalsContact O-N 3.07Å
547	P	32.7	Very low	38	Very low	113 Å²	113	144.7 Å²	144.7	73%	0.734	82%	0.819	S	S	*	*			trans	-62.2	140.6	174.9	-9.2	20.8	0	0	0	110	T549	P547-T549 PolarHBondContact O-N 3.18Å; P547-T549 VanDerWaalsContact O-N 3.08Å
548	S	37.1	Very low	37.3	Very low	122 Å²	122	147.3 Å²	147.3	85%	0.853	82%	0.823	S	S	*	*			trans	-64.5	105.9	173.9	-164.9	0	0	0	0	109.6
549	T	45.3	Very low	36.7	Very low	128 Å²	128	147.5 Å²	147.5	79%	0.785	84%	0.835	S	S	*	*			trans	-109.1	97.5	162.5	49.4	0	0	0	0	107.9	P547	P547-T549 PolarHBondContact O-N 3.18Å; P547-T549 VanDerWaalsContact O-N 3.08Å
550	E	38.2	Very low	36.4	Very low	194 Å²	194	149.3 Å²	149.3	91%	0.907	85%	0.848	S	S	*	*			trans	-168.9	131.7	134.6	-102.1	172.6	-159.7	0	0	108.7
551	L	34.6	Very low	36.6	Very low	250 Å²	250	147.2 Å²	147.2	100%	1.309	84%	0.842	S	S	*	*			trans	-81.8	0	-176.2	-96	151.9	0	0	0	111.6

Retrieved 551 of 551 residues in 716 ms (Link to these results)

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