G4VTW0_SCHMA Loading...

Acetyltransferase-related

AlphaFold DB , UniProt , Accession G4VTW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 640 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	32.6	Very low	250 Å²	250	149.2 Å²	149.2	100%	1.232	84%	0.844	S	S	*	*				0	133.6	0	-86.2	-178.9	-175.2	0	0	108.8
2	G	36	Very low	33	Very low	81 Å²	81	143.2 Å²	143.2	84%	0.835	82%	0.818	S	S	*	*			trans	90.5	87.5	153.9	0	0	0	0	0	117.5
3	S	35	Very low	33.4	Very low	129 Å²	129	144.4 Å²	144.4	90%	0.902	81%	0.813	S	S	*	*			trans	-173.8	79.6	144	171.3	0	0	0	0	108.8
4	C	27.3	Very low	33.7	Very low	118 Å²	118	139.2 Å²	139.2	80%	0.797	79%	0.791	S	S	*	*			trans	-116.4	152.2	166.1	-163.6	0	0	0	0	107.9
5	I	29.4	Very low	33.8	Very low	145 Å²	145	137.5 Å²	137.5	74%	0.744	78%	0.778	S	S	*	*			trans	86.6	101.2	165	-38.4	172.6	0	0	0	115.5
6	K	34.1	Very low	33.6	Very low	200 Å²	200	141.9 Å²	141.9	87%	0.87	78%	0.778	S	S	*	*				169	88.8	111.1	-88.1	-177.1	-176.9	178	0	110.3
7	Q	32.3	Very low	33.6	Very low	196 Å²	196	142.2 Å²	142.2	92%	0.916	77%	0.773	S	S	*	*			trans	-150.8	56.2	164.9	-130.5	175.2	-3.8	0	0	110.5
8	E	29.9	Very low	33.5	Very low	189 Å²	189	143.7 Å²	143.7	88%	0.883	77%	0.771	S	S	*	*			trans	-126.7	88.5	169.1	-80.7	-178	166.4	0	0	108
9	C	31	Very low	33.3	Very low	117 Å²	117	143.7 Å²	143.7	79%	0.791	77%	0.771	S	S	*	*			trans	-150	17	167	-146.6	0	0	0	0	114.4
10	S	37	Very low	33	Very low	97 Å²	97	141.3 Å²	141.3	68%	0.678	77%	0.765	S	S	*	*	S	Bend	trans	-112.9	-9.6	-179.9	35.2	0	0	0	0	114.9
11	D	35.7	Very low	32.8	Very low	119 Å²	119	141.2 Å²	141.2	64%	0.636	76%	0.764	S	S	*	*	S	Bend	trans	-88.4	-14.7	-178.3	-72.1	-21.9	0	0	0	114.4	Q13 S14	D11-Q13 PolarHBondContact O-N 3.49Å; D11-S14 PolarHBondContact O-N 2.76Å; D11-S14 PolarHBondContact O-OG 3.11Å; D11-S14 VanDerWaalsContact O-OG 3.05Å
12	S	37.1	Very low	32.7	Very low	77 Å²	77	133.5 Å²	133.5	54%	0.538	73%	0.731	S	S	.	*	H	α-helix	trans	-74.5	-20.5	-176.5	55.4	0	0	0	0	114.4
13	Q	37.9	Very low	32.2	Very low	159 Å²	159	134.8 Å²	134.8	74%	0.743	73%	0.727	S	S	*	*	H	α-helix	trans	-77.7	-35.4	175.1	-77.7	-177	-17.5	0	0	112.3	D11 L15 R16 E17	D11-Q13 PolarHBondContact O-N 3.49Å; Q13-L15 VanDerWaalsContact C-N 3.26Å; Q13-L15 PolarHBondContact O-N 2.91Å; Q13-R16 PolarHBondContact O-N 3.43Å; Q13-E17 PolarHBondContact O-N 3.34Å
14	S	37.7	Very low	31.9	Very low	72 Å²	72	135.8 Å²	135.8	50%	0.503	72%	0.722	S	S	.	*	H	α-helix	trans	-67.6	-25.8	178.5	78.7	0	0	0	0	113.6	D11	D11-S14 PolarHBondContact O-N 2.76Å; D11-S14 PolarHBondContact O-OG 3.11Å; D11-S14 VanDerWaalsContact O-OG 3.05Å
15	L	35.4	Very low	31.9	Very low	114 Å²	114	136.8 Å²	136.8	60%	0.597	72%	0.72	S	S	*	*	H	α-helix	trans	-78.5	-26.5	175.2	-93.4	143.3	0	0	0	113	Q13	Q13-L15 VanDerWaalsContact C-N 3.26Å; Q13-L15 PolarHBondContact O-N 2.91Å
16	R	31.3	Very low	31.8	Very low	207 Å²	207	136.6 Å²	136.6	78%	0.781	72%	0.719	S	S	*	*	H	α-helix	trans	-76	-34.3	176.8	-85.4	-175.1	173.8	-174.9	-1.3	112.8	Q13 K18 N19	Q13-R16 PolarHBondContact O-N 3.43Å; R16-K18 VanDerWaalsContact C-N 3.29Å; R16-K18 PolarHBondContact O-N 3.28Å; R16-N19 PolarHBondContact O-N 3.05Å; R16-N19 VanDerWaalsContact O-N 3.15Å
17	E	32.3	Very low	31.4	Very low	148 Å²	148	135.3 Å²	135.3	69%	0.692	72%	0.716	S	S	*	*	H	α-helix	trans	-70.7	-24	176.2	-74.9	-173.9	157.8	0	0	113.3	Q13 N19 S20	Q13-E17 PolarHBondContact O-N 3.34Å; E17-N19 VanDerWaalsContact C-N 3.25Å; E17-N19 PolarHBondContact O-N 2.9Å; E17-S20 PolarHBondContact O-OG 3.48Å
18	K	33.3	Very low	31.3	Very low	169 Å²	169	132.2 Å²	132.2	74%	0.735	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-17.4	171.1	-82.2	-177.8	177.7	173.6	0	113.8	R16	R16-K18 VanDerWaalsContact C-N 3.29Å; R16-K18 PolarHBondContact O-N 3.28Å
19	N	29	Very low	31.1	Very low	144 Å²	144	133.3 Å²	133.3	77%	0.77	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	3.1	179.9	-74.6	-4.2	0	0	0	114	R16 E17	R16-N19 PolarHBondContact O-N 3.05Å; R16-N19 VanDerWaalsContact O-N 3.15Å; E17-N19 VanDerWaalsContact C-N 3.25Å; E17-N19 PolarHBondContact O-N 2.9Å
20	S	28.1	Very low	31.2	Very low	95 Å²	95	129.4 Å²	129.4	66%	0.664	69%	0.686	S	S	*	*			trans	-104.8	12.2	178.3	65.5	0	0	0	0	114.7	E17	E17-S20 PolarHBondContact O-OG 3.48Å
21	L	28.3	Very low	31.6	Very low	139 Å²	139	129.6 Å²	129.6	73%	0.728	68%	0.679	S	S	*	*	S	Bend	trans	-95.4	104.1	174.2	-83.8	154.9	0	0	0	110.8
22	T	28.2	Very low	32.2	Very low	88 Å²	88	124.8 Å²	124.8	54%	0.54	65%	0.653	S	S	.	*			trans	77.4	92.6	160.4	63.5	0	0	0	0	117.2	D24	T22-D24 PolarHBondContact O-N 2.84Å
23	S	26.6	Very low	33.3	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	20.1	161.6	-53.6	0	0	0	0	114.7
24	D	28.3	Very low	34.8	Very low	149 Å²	149	120.1 Å²	120.1	80%	0.797	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	9.7	177.7	-74.5	-16.9	0	0	0	112.8	T22	T22-D24 PolarHBondContact O-N 2.84Å
25	N	27	Very low	36.8	Very low	140 Å²	140	116.9 Å²	116.9	75%	0.749	60%	0.601	S	S	*	*			trans	-113.5	13.7	176.9	-71	-33.8	0	0	0	113.9
26	I	27.3	Very low	38.9	Very low	141 Å²	141	111.6 Å²	111.6	72%	0.723	57%	0.573	S	S	*	*	S	Bend	trans	-90.7	118.4	169.4	-56.7	174.5	0	0	0	106.1
27	E	25.2	Very low	41.2	Very low	173 Å²	173	103.5 Å²	103.5	81%	0.808	55%	0.547	S	S	*	.	S	Bend	trans	106.3	56.2	-179.6	-60.4	-178.5	-177.3	0	0	116.9
28	H	30.1	Very low	43.7	Very low	131 Å²	131	98.3 Å²	98.3	61%	0.606	52%	0.521	S	S	*	.			trans	-150.9	30.1	151.4	-80.2	-63.7	0	0	0	112.5	G30 D31	H28-G30 PolarHBondContact O-N 3.34Å; H28-D31 IonicContact CE1-OD2 3.86Å; H28-D31 PolarHBondContact CE1-OD2 3.2Å; H28-D31 IonicContact CG-OD2 3.53Å; H28-D31 IonicContact ND1-OD1 2.74Å; H28-D31 IonicContact ND1-OD2 3.11Å; H28-D31 PolarHBondContact ND1-OD2 3.36Å
29	E	26.3	Very low	45.8	Very low	211 Å²	211	97.2 Å²	97.2	99%	0.986	52%	0.519	S	S	*	.	S	Bend	trans	-83.4	10.7	-177.8	-145.9	170.1	-163.7	0	0	113.7
30	G	34	Very low	48.2	Very low	35 Å²	35	91.3 Å²	91.3	36%	0.361	49%	0.489	S	S	.	.	S	Bend	trans	-138	-0.6	-175.7	0	0	0	0	0	116.3	H28 I32 K411	H28-G30 PolarHBondContact O-N 3.34Å; G30-I32 PolarHBondContact O-N 2.82Å; G30-K411 PolarHBondContact O-NZ 3.44Å
31	D	43.7	Very low	50.6	Low	101 Å²	101	96.2 Å²	96.2	54%	0.54	49%	0.493	S	S	.	.			trans	-62.6	122.8	-177	-79.3	-8	0	0	0	110.1	H28 F33	H28-D31 IonicContact CE1-OD2 3.86Å; H28-D31 PolarHBondContact CE1-OD2 3.2Å; H28-D31 IonicContact CG-OD2 3.53Å; H28-D31 IonicContact ND1-OD1 2.74Å; H28-D31 IonicContact ND1-OD2 3.11Å; H28-D31 PolarHBondContact ND1-OD2 3.36Å; D31-F33 PolarHBondContact O-N 3.31Å
32	I	50.2	Low	53.3	Low	19 Å²	19	90.6 Å²	90.6	10%	0.097	46%	0.463	C	S	.	.			trans	-56.5	117.6	165.4	-67.8	-172	0	0	0	106.7	G30 T34 Y338 L408 Y412	G30-I32 PolarHBondContact O-N 2.82Å; I32-T34 PolarHBondContact O-N 3.38Å; I32-Y338 HydrophobicContact CD1-CE2 3.41Å; I32-Y338 VanDerWaalsContact CD1-CE2 3.41Å; I32-Y338 WeakPolarHBondContact CD1-OH 3.42Å; I32-L408 HydrophobicContact CD1-CD2 4.24Å; I32-Y412 HydrophobicContact CD1-CE2 3.6Å; I32-Y412 WeakPolarHBondContact CD1-OH 3.47Å; I32-Y412 HydrophobicContact CG1-CE2 4.29Å; I32-Y412 VanDerWaalsContact CG1-OH 3.31Å; I32-Y412 WeakPolarHBondContact CG1-OH 3.19Å
33	F	58.3	Low	56.1	Low	107 Å²	107	89.7 Å²	89.7	47%	0.469	46%	0.46	S	S	.	.			trans	-57.3	104	169.3	-65.7	-67.1	0	0	0	107.6	D31 P35 S220 C221 P310	D31-F33 PolarHBondContact O-N 3.31Å; F33-P35 WeakPolarHBondContact O-CD 3.48Å; F33-S220 VanDerWaalsContact CD1-CB 3.45Å; F33-C221 HydrophobicContact CB-CB 4.23Å; F33-P310 HydrophobicContact CD2-CG 3.52Å; F33-P310 HydrophobicContact CE2-CG 3.52Å; F33-P310 HydrophobicContact CG-CG 4.41Å; F33-P310 HydrophobicContact CZ-CG 4.4Å
34	T	69.4	Low	59	Low	31 Å²	31	93.2 Å²	93.2	19%	0.19	46%	0.462	C	S	.	.			trans	-87.2	95	171.1	48.1	0	0	0	0	106.7	I32 F36 T37 N218 F319	I32-T34 PolarHBondContact O-N 3.38Å; T34-F36 PolarHBondContact O-N 2.84Å; T34-T37 PolarHBondContact O-N 3.38Å; T34-T37 PolarHBondContact O-OG1 3.36Å; T34-T37 PolarHBondContact OG1-OG1 2.64Å; T34-N218 PolarHBondContact O-ND2 3.4Å; T34-F319 HydrophobicContact CG2-CD2 4.38Å; T34-F319 HydrophobicContact CG2-CE2 4.13Å
35	P	79.9	Confident	61.9	Low	3 Å²	3	92.2 Å²	92.2	2%	0.019	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.6	-173.6	23.2	-33.4	0	0	0	113.2	F33 T217 N218	F33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-T217 HydrophobicContact CB-CG2 3.91Å; P35-T217 CarbonylContact O-C 3.55Å; P35-T217 VanDerWaalsContact O-CA 3.24Å; P35-T217 WeakPolarHBondContact O-CA 3.26Å; P35-N218 WeakPolarHBondContact CA-OD1 3.21Å; P35-N218 PolarHBondContact O-N 2.76Å
36	F	81.1	Confident	64.8	Low	3 Å²	3	87.4 Å²	87.4	1%	0.013	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4	-173.4	-49.1	-63.2	0	0	0	114.4	T34 T215 T217 V253 E255 Y316 F319	T34-F36 PolarHBondContact O-N 2.84Å; F36-T215 HydrophobicContact CE1-CG2 3.67Å; F36-T215 HydrophobicContact CZ-CG2 4.48Å; F36-T217 HydrophobicContact CE1-CG2 4.16Å; F36-V253 WeakPolarHBondContact O-CB 3.2Å; F36-V253 VanDerWaalsContact O-CG2 3.31Å; F36-V253 WeakPolarHBondContact O-CG2 3.33Å; F36-E255 PolarHBondContact O-N 3.34Å; F36-E255 VanDerWaalsContact O-N 3.16Å; F36-Y316 HydrophobicContact CD1-CD2 4.27Å; F36-Y316 HydrophobicContact CG-CD2 4.28Å; F36-F319 HydrophobicContact CB-CD1 3.81Å; F36-F319 HydrophobicContact CB-CD2 4.25Å; F36-F319 HydrophobicContact CB-CE1 3.88Å; F36-F319 HydrophobicContact CB-CE2 4.31Å; F36-F319 HydrophobicContact CB-CG 4.02Å; F36-F319 HydrophobicContact CB-CZ 4.15Å; F36-F319 HydrophobicContact CD2-CB 3.49Å; F36-F319 VanDerWaalsContact CD2-CB 3.49Å; F36-F319 HydrophobicContact CD2-CD1 4.03Å; F36-F319 AromaticContact CD2-CD2 3.94Å; F36-F319 HydrophobicContact CD2-CD2 3.94Å; F36-F319 AromaticContact CD2-CG 3.52Å; F36-F319 HydrophobicContact CD2-CG 3.52Å; F36-F319 HydrophobicContact CE2-CB 3.94Å; F36-F319 HydrophobicContact CE2-CG 4.44Å; F36-F319 HydrophobicContact CG-CB 4.48Å; F36-F319 HydrophobicContact CG-CD1 4.26Å; F36-F319 HydrophobicContact CG-CG 4.18Å
37	T	78.9	Confident	67.7	Low	38 Å²	38	84.2 Å²	84.2	23%	0.233	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-114.1	145.9	175.4	72.6	0	0	0	0	111.6	T34 N218 E255 F319	T34-T37 PolarHBondContact O-N 3.38Å; T34-T37 PolarHBondContact O-OG1 3.36Å; T34-T37 PolarHBondContact OG1-OG1 2.64Å; T37-N218 WeakPolarHBondContact O-CB 3.45Å; T37-N218 PolarHBondContact O-ND2 2.9Å; T37-E255 CarbonylContact C-O 3.48Å; T37-E255 WeakPolarHBondContact CA-O 3.38Å; T37-E255 HydrophobicContact CG2-CB 4.2Å; T37-F319 HydrophobicContact CG2-CE2 3.53Å; T37-F319 HydrophobicContact CG2-CZ 3.36Å
38	Y	83.7	Confident	70.9	Confident	38 Å²	38	80.9 Å²	80.9	15%	0.149	40%	0.395	C	S	.	.			trans	-150.5	114.7	172.5	178.6	-123.8	0	0	0	111.4	C40 D248 T251 E255 P257	Y38-C40 HydrophobicContact CE1-CB 3.91Å; Y38-C40 PolarHBondContact OH-SG 3.33Å; Y38-C40 VanDerWaalsContact OH-SG 3.4Å; Y38-D248 HydrophobicContact CE2-CB 4.36Å; Y38-D248 VanDerWaalsContact OH-CB 3.32Å; Y38-D248 WeakPolarHBondContact OH-CB 3.37Å; Y38-D248 PolarHBondContact OH-O 2.93Å; Y38-T251 HydrophobicContact CD1-CG2 3.77Å; Y38-T251 HydrophobicContact CD2-CG2 4.12Å; Y38-T251 HydrophobicContact CG-CG2 3.53Å; Y38-E255 PolarHBondContact N-O 3.29Å; Y38-P257 HydrophobicContact CD1-CG 4.27Å; Y38-P257 HydrophobicContact CE1-CG 4.4Å
39	Q	78.3	Confident	73.9	Confident	146 Å²	146	77.2 Å²	77.2	68%	0.682	38%	0.377	S	S	*	.			trans	-101.5	113.1	169	-66.8	-174.8	0.1	0	0	109.5	R41	Q39-R41 PolarHBondContact O-N 2.89Å
40	C	79	Confident	76.9	Confident	21 Å²	21	67.2 Å²	67.2	14%	0.142	33%	0.33	C	S	.	.			trans	-71.1	97.6	177.2	-166.1	0	0	0	0	110.2	Y38 I42 P257	Y38-C40 HydrophobicContact CE1-CB 3.91Å; Y38-C40 PolarHBondContact OH-SG 3.33Å; Y38-C40 VanDerWaalsContact OH-SG 3.4Å; C40-I42 VanDerWaalsContact SG-CD1 3.53Å; C40-I42 WeakPolarHBondContact SG-CG1 3.18Å; C40-P257 HydrophobicContact CB-CG 4.18Å
41	R	79.7	Confident	79.7	Confident	198 Å²	198	72.4 Å²	72.4	75%	0.747	34%	0.34	S	S	*	.			trans	-88.9	105.4	175.3	-65.6	-176.2	-177.8	-179.6	2	109.2	Q39	Q39-R41 PolarHBondContact O-N 2.89Å
42	I	83.2	Confident	82.1	Confident	21 Å²	21	73 Å²	73	11%	0.108	34%	0.342	C	S	.	.			trans	-114.5	130.5	-178.8	-55.2	178.1	0	0	0	108.5	C40 Q46 Y47 M50 V247 L265	C40-I42 VanDerWaalsContact SG-CD1 3.53Å; C40-I42 WeakPolarHBondContact SG-CG1 3.18Å; I42-Q46 HydrophobicContact CG2-CB 3.38Å; I42-Q46 HydrophobicContact CG2-CG 4.49Å; I42-Y47 HydrophobicContact CB-CD2 3.9Å; I42-Y47 HydrophobicContact CB-CE1 4.48Å; I42-Y47 HydrophobicContact CB-CE2 3.54Å; I42-Y47 HydrophobicContact CD1-CE1 4.15Å; I42-Y47 HydrophobicContact CG2-CD1 4.46Å; I42-Y47 HydrophobicContact CG2-CD2 3.79Å; I42-Y47 HydrophobicContact CG2-CE2 3.96Å; I42-Y47 HydrophobicContact CG2-CG 4.07Å; I42-Y47 WeakPolarHBondContact O-CE2 3.34Å; I42-M50 HydrophobicContact CD1-CE 4.42Å; I42-M50 HydrophobicContact CD1-SD 4.07Å; I42-M50 HydrophobicContact CG2-SD 4.24Å; I42-V247 HydrophobicContact CD1-CG1 4.15Å; I42-V247 HydrophobicContact CG1-CG1 4.03Å; I42-L265 HydrophobicContact CD1-CD2 3.65Å
43	S	87	Confident	84.2	Confident	68 Å²	68	72.5 Å²	72.5	48%	0.476	34%	0.34	S	S	.	.			trans	-67.9	153	175.3	62.3	0	0	0	0	111.7	L45 Q46 Y47	S43-L45 PolarHBondContact O-N 3.35Å; S43-L45 VanDerWaalsContact O-N 3.15Å; S43-Q46 PolarHBondContact O-N 3.31Å; S43-Q46 WeakPolarHBondContact OG-CG 3.34Å; S43-Y47 PolarHBondContact O-N 3.26Å
44	K	88.5	Confident	85.8	Confident	183 Å²	183	69.1 Å²	69.1	80%	0.796	33%	0.328	S	S	*	.	H	α-helix	trans	-52.4	-39.6	179.4	-65.8	-178.5	-179	177	0	112.6	Y47 I48	K44-Y47 WeakPolarHBondContact O-CB 3.42Å; K44-Y47 PolarHBondContact O-N 3.34Å; K44-I48 WeakPolarHBondContact O-CG1 3.41Å; K44-I48 PolarHBondContact O-N 3.37Å
45	L	89.2	Confident	87	Confident	128 Å²	128	73.1 Å²	73.1	67%	0.67	35%	0.352	S	S	*	.	H	α-helix	trans	-64.7	-40.8	177.2	-177.9	62.4	0	0	0	112.5	S43 Y47 I48 K49	S43-L45 PolarHBondContact O-N 3.35Å; S43-L45 VanDerWaalsContact O-N 3.15Å; L45-Y47 VanDerWaalsContact C-N 3.35Å; L45-I48 PolarHBondContact O-N 2.93Å; L45-K49 WeakPolarHBondContact O-CB 3.21Å; L45-K49 PolarHBondContact O-N 3.27Å
46	Q	87.9	Confident	87.6	Confident	39 Å²	39	76.7 Å²	76.7	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-37.8	175.4	-69	-61.2	-29.9	0	0	111	I42 S43 K49 M50 V247	I42-Q46 HydrophobicContact CG2-CB 3.38Å; I42-Q46 HydrophobicContact CG2-CG 4.49Å; S43-Q46 PolarHBondContact O-N 3.31Å; S43-Q46 WeakPolarHBondContact OG-CG 3.34Å; Q46-K49 PolarHBondContact O-N 3.27Å; Q46-M50 WeakPolarHBondContact O-CB 3.43Å; Q46-M50 WeakPolarHBondContact O-CG 3.15Å; Q46-M50 PolarHBondContact O-N 2.89Å; Q46-V247 HydrophobicContact CB-CG2 4.39Å; Q46-V247 HydrophobicContact CG-CG2 4.11Å
47	Y	89	Confident	88.2	Confident	75 Å²	75	78.9 Å²	78.9	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-58.5	-50.1	172.5	-88.4	-65	0	0	0	112.4	I42 S43 K44 L45 K49 M50 Y51	I42-Y47 HydrophobicContact CB-CD2 3.9Å; I42-Y47 HydrophobicContact CB-CE1 4.48Å; I42-Y47 HydrophobicContact CB-CE2 3.54Å; I42-Y47 HydrophobicContact CD1-CE1 4.15Å; I42-Y47 HydrophobicContact CG2-CD1 4.46Å; I42-Y47 HydrophobicContact CG2-CD2 3.79Å; I42-Y47 HydrophobicContact CG2-CE2 3.96Å; I42-Y47 HydrophobicContact CG2-CG 4.07Å; I42-Y47 WeakPolarHBondContact O-CE2 3.34Å; S43-Y47 PolarHBondContact O-N 3.26Å; K44-Y47 WeakPolarHBondContact O-CB 3.42Å; K44-Y47 PolarHBondContact O-N 3.34Å; L45-Y47 VanDerWaalsContact C-N 3.35Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-K49 PolarHBondContact O-N 2.81Å; Y47-M50 PolarHBondContact O-N 3.19Å; Y47-Y51 HydrophobicContact CD1-CE2 4.35Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.32Å; Y47-Y51 PolarHBondContact O-N 3.44Å
48	I	91.3	Very high	88.9	Confident	102 Å²	102	79.9 Å²	79.9	52%	0.523	39%	0.387	S	S	.	.	H	α-helix	trans	-57.3	-48.1	178.3	-66.8	167.1	0	0	0	110.5	K44 L45 M50 Y51 L52	K44-I48 WeakPolarHBondContact O-CG1 3.41Å; K44-I48 PolarHBondContact O-N 3.37Å; L45-I48 PolarHBondContact O-N 2.93Å; I48-M50 VanDerWaalsContact C-N 3.3Å; I48-M50 PolarHBondContact O-N 3.48Å; I48-Y51 PolarHBondContact O-N 3.04Å; I48-L52 HydrophobicContact CG2-CD1 4.31Å; I48-L52 WeakPolarHBondContact O-CG 3.15Å; I48-L52 PolarHBondContact O-N 2.87Å
49	K	92.4	Very high	89.4	Confident	55 Å²	55	81.1 Å²	81.1	24%	0.239	40%	0.399	C	S	.	.	H	α-helix	trans	-55.4	-46.2	174.6	173	-171.5	147.8	-148.8	0	111.2	L45 Q46 Y47 L52 L53 F270	L45-K49 WeakPolarHBondContact O-CB 3.21Å; L45-K49 PolarHBondContact O-N 3.27Å; Q46-K49 PolarHBondContact O-N 3.27Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-K49 PolarHBondContact O-N 2.81Å; K49-L52 PolarHBondContact O-N 3.37Å; K49-L53 HydrophobicContact CG-CD1 4.02Å; K49-L53 HydrophobicContact CG-CG 4.44Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.42Å; K49-L53 PolarHBondContact O-N 3.44Å; K49-F270 HydrophobicContact CD-CE2 4.13Å; K49-F270 HydrophobicContact CG-CE2 4.33Å
50	M	90.7	Very high	90.2	Very high	0 Å²	0	81 Å²	81	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-66.6	-37.7	-178.6	-69.9	173.1	74.6	0	0	112.2	I42 Q46 Y47 I48 L53 T54 L265 Q269	I42-M50 HydrophobicContact CD1-CE 4.42Å; I42-M50 HydrophobicContact CD1-SD 4.07Å; I42-M50 HydrophobicContact CG2-SD 4.24Å; Q46-M50 WeakPolarHBondContact O-CB 3.43Å; Q46-M50 WeakPolarHBondContact O-CG 3.15Å; Q46-M50 PolarHBondContact O-N 2.89Å; Y47-M50 PolarHBondContact O-N 3.19Å; I48-M50 VanDerWaalsContact C-N 3.3Å; I48-M50 PolarHBondContact O-N 3.48Å; M50-L53 PolarHBondContact O-N 2.95Å; M50-T54 WeakPolarHBondContact O-CB 3.49Å; M50-T54 PolarHBondContact O-N 3.29Å; M50-T54 PolarHBondContact O-OG1 3.26Å; M50-L265 HydrophobicContact CE-CB 3.87Å; M50-L265 HydrophobicContact CE-CD2 3.22Å; M50-L265 HydrophobicContact CE-CG 4.11Å; M50-L265 HydrophobicContact SD-CD2 4.4Å; M50-Q269 PolarHBondContact SD-NE2 3.08Å; M50-Q269 VanDerWaalsContact SD-NE2 3.45Å
51	Y	91.6	Very high	90.9	Very high	145 Å²	145	81.2 Å²	81.2	57%	0.569	40%	0.395	S	S	*	.	H	α-helix	trans	-61	-45	172.1	-80.8	-69.1	0	0	0	111.9	Y47 I48 L53 T54 V55	Y47-Y51 HydrophobicContact CD1-CE2 4.35Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.32Å; Y47-Y51 PolarHBondContact O-N 3.44Å; I48-Y51 PolarHBondContact O-N 3.04Å; Y51-L53 VanDerWaalsContact C-N 3.34Å; Y51-L53 PolarHBondContact O-N 3.41Å; Y51-T54 WeakPolarHBondContact O-CB 3.47Å; Y51-T54 PolarHBondContact O-N 3.04Å; Y51-V55 PolarHBondContact O-N 3.06Å
52	L	94	Very high	91.6	Very high	112 Å²	112	73.6 Å²	73.6	59%	0.586	37%	0.374	S	S	*	.	H	α-helix	trans	-61.3	-42.2	175.8	-66.8	172.7	0	0	0	111.9	I48 K49 T54 V55 T56	I48-L52 HydrophobicContact CG2-CD1 4.31Å; I48-L52 WeakPolarHBondContact O-CG 3.15Å; I48-L52 PolarHBondContact O-N 2.87Å; K49-L52 PolarHBondContact O-N 3.37Å; L52-T54 VanDerWaalsContact C-N 3.32Å; L52-T54 PolarHBondContact O-N 2.82Å; L52-V55 PolarHBondContact O-N 3.24Å; L52-T56 WeakPolarHBondContact O-CG2 3.48Å; L52-T56 PolarHBondContact O-N 3Å; L52-T56 VanDerWaalsContact O-N 3.11Å; L52-T56 PolarHBondContact O-OG1 2.96Å
53	L	94.4	Very high	92.2	Very high	10 Å²	10	78.2 Å²	78.2	5%	0.052	40%	0.399	C	S	.	.	H	α-helix	trans	-71.4	-26.3	177.9	-65	-177.6	0	0	0	113.4	K49 M50 Y51 V55 T56 I57 F58 S268 F270	K49-L53 HydrophobicContact CG-CD1 4.02Å; K49-L53 HydrophobicContact CG-CG 4.44Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.42Å; K49-L53 PolarHBondContact O-N 3.44Å; M50-L53 PolarHBondContact O-N 2.95Å; Y51-L53 VanDerWaalsContact C-N 3.34Å; Y51-L53 PolarHBondContact O-N 3.41Å; L53-V55 VanDerWaalsContact C-N 3.31Å; L53-T56 WeakPolarHBondContact CA-OG1 3.2Å; L53-I57 HydrophobicContact CD2-CD1 3.67Å; L53-I57 HydrophobicContact CD2-CG1 4.01Å; L53-I57 PolarHBondContact O-N 3.4Å; L53-F58 PolarHBondContact O-N 3.03Å; L53-S268 WeakPolarHBondContact CD1-O 3.24Å; L53-F270 HydrophobicContact CD1-CD1 4.22Å; L53-F270 HydrophobicContact CD1-CD2 4.02Å; L53-F270 HydrophobicContact CD1-CE1 4.11Å; L53-F270 HydrophobicContact CD1-CE2 3.89Å; L53-F270 HydrophobicContact CD1-CG 4.18Å; L53-F270 HydrophobicContact CD1-CZ 3.94Å; L53-F270 HydrophobicContact CD2-CD1 4.2Å; L53-F270 HydrophobicContact CD2-CE1 3.5Å; L53-F270 HydrophobicContact CD2-CE2 4.42Å; L53-F270 HydrophobicContact CD2-CZ 3.64Å; L53-F270 HydrophobicContact CG-CE1 4.43Å; L53-F270 HydrophobicContact CG-CZ 4.27Å
54	T	93.7	Very high	92.6	Very high	36 Å²	36	79.1 Å²	79.1	22%	0.221	40%	0.396	C	S	.	.	H	α-helix	trans	-66	-35.3	173.6	-57.3	0	0	0	0	111.5	M50 Y51 L52 F58 P59 W264 S268	M50-T54 WeakPolarHBondContact O-CB 3.49Å; M50-T54 PolarHBondContact O-N 3.29Å; M50-T54 PolarHBondContact O-OG1 3.26Å; Y51-T54 WeakPolarHBondContact O-CB 3.47Å; Y51-T54 PolarHBondContact O-N 3.04Å; L52-T54 VanDerWaalsContact C-N 3.32Å; L52-T54 PolarHBondContact O-N 2.82Å; T54-F58 WeakPolarHBondContact O-CB 3.29Å; T54-P59 WeakPolarHBondContact O-CD 3.26Å; T54-W264 PolarHBondContact OG1-NE1 2.88Å; T54-S268 PolarHBondContact OG1-OG 3.37Å
55	V	92.6	Very high	92.9	Very high	115 Å²	115	72.2 Å²	72.2	70%	0.697	37%	0.369	S	S	*	.	H	α-helix	trans	-80.6	-39	177.4	178.8	0	0	0	0	111.3	Y51 L52 L53	Y51-V55 PolarHBondContact O-N 3.06Å; L52-V55 PolarHBondContact O-N 3.24Å; L53-V55 VanDerWaalsContact C-N 3.31Å
56	T	93	Very high	93.2	Very high	78 Å²	78	67.5 Å²	67.5	48%	0.479	35%	0.352	S	S	.	.	H	α-helix	trans	-92.6	-44.8	-168.5	52.5	0	0	0	0	114.6	L52 L53 F60	L52-T56 WeakPolarHBondContact O-CG2 3.48Å; L52-T56 PolarHBondContact O-N 3Å; L52-T56 VanDerWaalsContact O-N 3.11Å; L52-T56 PolarHBondContact O-OG1 2.96Å; L53-T56 WeakPolarHBondContact CA-OG1 3.2Å; T56-F60 WeakPolarHBondContact O-CD2 3.17Å; T56-F60 WeakPolarHBondContact O-CE2 3.28Å
57	I	93.8	Very high	93.5	Very high	49 Å²	49	70.1 Å²	70.1	25%	0.251	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-40.8	-170.3	-63.2	-167.8	0	0	0	111.7	L53 P59 F60 R61 F270	L53-I57 HydrophobicContact CD2-CD1 3.67Å; L53-I57 HydrophobicContact CD2-CG1 4.01Å; L53-I57 PolarHBondContact O-N 3.4Å; I57-P59 VanDerWaalsContact C-CD 3.48Å; I57-F60 PolarHBondContact O-N 2.83Å; I57-R61 HydrophobicContact CG2-CG 3.66Å; I57-R61 WeakPolarHBondContact O-CG 3.41Å; I57-R61 PolarHBondContact O-N 2.67Å; I57-F270 HydrophobicContact CD1-CD1 4.15Å; I57-F270 HydrophobicContact CD1-CE1 4.12Å
58	F	94.1	Very high	93.7	Very high	58 Å²	58	67.1 Å²	67.1	25%	0.254	36%	0.357	S	S	.	.	H	α-helix	trans	-54	-44.8	-173.6	178.6	-84.2	0	0	0	114.1	L53 T54 F60 R61 A62 W264 M267	L53-F58 PolarHBondContact O-N 3.03Å; T54-F58 WeakPolarHBondContact O-CB 3.29Å; F58-F60 PolarHBondContact O-N 2.84Å; F58-R61 PolarHBondContact O-N 2.94Å; F58-A62 HydrophobicContact CE1-CB 4.25Å; F58-A62 VanDerWaalsContact O-CB 3.29Å; F58-A62 WeakPolarHBondContact O-CB 3.27Å; F58-A62 PolarHBondContact O-N 3.44Å; F58-W264 HydrophobicContact CE2-CB 4.45Å; F58-M267 HydrophobicContact CD2-CB 3.36Å; F58-M267 HydrophobicContact CD2-CG 4.37Å; F58-M267 HydrophobicContact CE2-CB 3.53Å; F58-M267 HydrophobicContact CE2-CG 4.12Å; F58-M267 HydrophobicContact CG-CB 4.5Å
59	P	93.9	Very high	93.7	Very high	64 Å²	64	66.1 Å²	66.1	42%	0.416	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-42.6	-177.7	-21.7	34.7	0	0	0	112	T54 I57 A62 L63	T54-P59 WeakPolarHBondContact O-CD 3.26Å; I57-P59 VanDerWaalsContact C-CD 3.48Å; P59-A62 PolarHBondContact O-N 2.81Å; P59-L63 WeakPolarHBondContact O-CB 3.45Å; P59-L63 PolarHBondContact O-N 3.28Å
60	F	94.6	Very high	93.7	Very high	143 Å²	143	68.8 Å²	68.8	63%	0.627	37%	0.365	S	S	*	.	H	α-helix	trans	-65.4	-43.2	177.3	-62.1	-79.3	0	0	0	111.3	T56 I57 F58 L63 M64	T56-F60 WeakPolarHBondContact O-CD2 3.17Å; T56-F60 WeakPolarHBondContact O-CE2 3.28Å; I57-F60 PolarHBondContact O-N 2.83Å; F58-F60 PolarHBondContact O-N 2.84Å; F60-L63 PolarHBondContact O-N 3.22Å; F60-M64 WeakPolarHBondContact O-CB 3.38Å; F60-M64 WeakPolarHBondContact O-CG 3.38Å; F60-M64 PolarHBondContact O-N 3.43Å
61	R	94.9	Very high	93.8	Very high	26 Å²	26	72.9 Å²	72.9	10%	0.098	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-46.5	176.2	-69.1	-170.4	169.1	172.2	-5.4	111.9	I57 F58 L63 M64 V65 A114 M267 Q269 F270	I57-R61 HydrophobicContact CG2-CG 3.66Å; I57-R61 WeakPolarHBondContact O-CG 3.41Å; I57-R61 PolarHBondContact O-N 2.67Å; F58-R61 PolarHBondContact O-N 2.94Å; R61-L63 VanDerWaalsContact C-N 3.27Å; R61-L63 PolarHBondContact O-N 3.32Å; R61-M64 PolarHBondContact O-N 3.44Å; R61-V65 VanDerWaalsContact O-CB 3.29Å; R61-V65 WeakPolarHBondContact O-CB 3.42Å; R61-V65 WeakPolarHBondContact O-CG2 3.43Å; R61-V65 PolarHBondContact O-N 3.02Å; R61-A114 WeakPolarHBondContact CD-O 3.12Å; R61-A114 WeakPolarHBondContact CG-O 3.21Å; R61-A114 PolarHBondContact NE-O 3.04Å; R61-M267 HydrophobicContact CB-CE 3.37Å; R61-M267 HydrophobicContact CB-SD 4.26Å; R61-M267 PolarHBondContact NH1-O 3.49Å; R61-Q269 PolarHBondContact NH1-O 3.21Å; R61-Q269 PolarHBondContact NH2-O 3.2Å; R61-F270 PolarHBondContact NH2-O 3.5Å
62	A	94.2	Very high	93.7	Very high	39 Å²	39	66.2 Å²	66.2	32%	0.322	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-42.2	179.3	0	0	0	0	0	111	F58 P59 G66 M267	F58-A62 HydrophobicContact CE1-CB 4.25Å; F58-A62 VanDerWaalsContact O-CB 3.29Å; F58-A62 WeakPolarHBondContact O-CB 3.27Å; F58-A62 PolarHBondContact O-N 3.44Å; P59-A62 PolarHBondContact O-N 2.81Å; A62-G66 WeakPolarHBondContact O-CA 3.25Å; A62-G66 PolarHBondContact O-N 3.31Å; A62-M267 HydrophobicContact CB-CE 4.29Å; A62-M267 VanDerWaalsContact N-CE 3.33Å
63	L	95.4	Very high	93.6	Very high	118 Å²	118	61.4 Å²	61.4	62%	0.618	34%	0.335	S	S	*	.	H	α-helix	trans	-62.5	-50.8	174.7	-177	66.4	0	0	0	112	P59 F60 R61 G66 L67	P59-L63 WeakPolarHBondContact O-CB 3.45Å; P59-L63 PolarHBondContact O-N 3.28Å; F60-L63 PolarHBondContact O-N 3.22Å; R61-L63 VanDerWaalsContact C-N 3.27Å; R61-L63 PolarHBondContact O-N 3.32Å; L63-G66 PolarHBondContact O-N 3.43Å; L63-L67 VanDerWaalsContact O-CB 3.25Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 PolarHBondContact O-N 3.28Å
64	M	95.6	Very high	93.4	Very high	87 Å²	87	67.7 Å²	67.7	43%	0.429	36%	0.362	S	S	.	.	H	α-helix	trans	-65.2	-43.1	-177.8	-67.4	-62.4	-70	0	0	112.4	F60 R61 S68 F110 A114	F60-M64 WeakPolarHBondContact O-CB 3.38Å; F60-M64 WeakPolarHBondContact O-CG 3.38Å; F60-M64 PolarHBondContact O-N 3.43Å; R61-M64 PolarHBondContact O-N 3.44Å; M64-S68 VanDerWaalsContact O-CB 3.27Å; M64-S68 WeakPolarHBondContact O-CB 3.42Å; M64-S68 PolarHBondContact O-N 2.97Å; M64-F110 HydrophobicContact CE-CE1 3.96Å; M64-F110 HydrophobicContact CE-CZ 3.55Å; M64-A114 HydrophobicContact CB-CB 4.01Å
65	V	95.4	Very high	93.2	Very high	38 Å²	38	68.2 Å²	68.2	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-48.5	176.2	173.9	0	0	0	0	110.3	R61 S68 F69 A111 A114 M267	R61-V65 VanDerWaalsContact O-CB 3.29Å; R61-V65 WeakPolarHBondContact O-CB 3.42Å; R61-V65 WeakPolarHBondContact O-CG2 3.43Å; R61-V65 PolarHBondContact O-N 3.02Å; V65-S68 PolarHBondContact O-N 3.17Å; V65-F69 VanDerWaalsContact O-CB 3.23Å; V65-F69 WeakPolarHBondContact O-CB 3.29Å; V65-F69 PolarHBondContact O-N 2.87Å; V65-A111 WeakPolarHBondContact CG2-O 3.19Å; V65-A114 HydrophobicContact CG2-CB 3.89Å; V65-M267 HydrophobicContact CB-CE 4.32Å; V65-M267 HydrophobicContact CG2-CE 3.92Å; V65-M267 HydrophobicContact CG2-SD 4.39Å
66	G	94.1	Very high	93.1	Very high	29 Å²	29	62.7 Å²	62.7	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-60.1	-47.4	179.5	0	0	0	0	0	112.2	A62 L63 F69 L70	A62-G66 WeakPolarHBondContact O-CA 3.25Å; A62-G66 PolarHBondContact O-N 3.31Å; L63-G66 PolarHBondContact O-N 3.43Å; G66-F69 PolarHBondContact O-N 2.84Å; G66-L70 WeakPolarHBondContact O-CB 3.37Å; G66-L70 VanDerWaalsContact O-CG 3.29Å; G66-L70 WeakPolarHBondContact O-CG 3.31Å; G66-L70 PolarHBondContact O-N 3.42Å
67	L	94.4	Very high	92.9	Very high	94 Å²	94	61.4 Å²	61.4	49%	0.492	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-45.6	178.4	-175.5	61	0	0	0	111.8	L63 F69 L70 I71	L63-L67 VanDerWaalsContact O-CB 3.25Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 PolarHBondContact O-N 3.28Å; L67-F69 VanDerWaalsContact C-N 3.31Å; L67-F69 PolarHBondContact O-N 2.87Å; L67-L70 PolarHBondContact O-N 3.15Å; L67-I71 HydrophobicContact CD1-CD1 3.83Å; L67-I71 HydrophobicContact CD1-CG1 4.16Å; L67-I71 HydrophobicContact CG-CD1 3.76Å; L67-I71 HydrophobicContact CG-CG1 4.46Å; L67-I71 WeakPolarHBondContact O-CB 3.09Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.5Å; L67-I71 PolarHBondContact O-N 3.48Å
68	S	92.6	Very high	92.6	Very high	12 Å²	12	63.1 Å²	63.1	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-59.5	-43.6	175.8	-176	0	0	0	0	111.5	M64 V65 S72 S107	M64-S68 VanDerWaalsContact O-CB 3.27Å; M64-S68 WeakPolarHBondContact O-CB 3.42Å; M64-S68 PolarHBondContact O-N 2.97Å; V65-S68 PolarHBondContact O-N 3.17Å; S68-S72 WeakPolarHBondContact O-CB 3.36Å; S68-S72 PolarHBondContact O-N 3.32Å; S68-S72 PolarHBondContact O-OG 2.94Å; S68-S107 PolarHBondContact OG-O 3.43Å; S68-S107 VanDerWaalsContact OG-O 3.08Å
69	F	92	Very high	92.2	Very high	81 Å²	81	64.8 Å²	64.8	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-47.3	178.6	-179.9	-108	0	0	0	111.9	V65 G66 L67 S72 L73 F167 V168 F171	V65-F69 VanDerWaalsContact O-CB 3.23Å; V65-F69 WeakPolarHBondContact O-CB 3.29Å; V65-F69 PolarHBondContact O-N 2.87Å; G66-F69 PolarHBondContact O-N 2.84Å; L67-F69 VanDerWaalsContact C-N 3.31Å; L67-F69 PolarHBondContact O-N 2.87Å; F69-S72 PolarHBondContact O-N 3.16Å; F69-L73 HydrophobicContact CD1-CD1 3.66Å; F69-L73 HydrophobicContact CD1-CG 4.36Å; F69-L73 HydrophobicContact CE1-CD1 3.21Å; F69-L73 HydrophobicContact CE1-CG 4.1Å; F69-L73 HydrophobicContact CE2-CD1 4.19Å; F69-L73 HydrophobicContact CE2-CG 4.24Å; F69-L73 HydrophobicContact CG-CD1 4.33Å; F69-L73 HydrophobicContact CZ-CD1 3.51Å; F69-L73 HydrophobicContact CZ-CD2 4.33Å; F69-L73 HydrophobicContact CZ-CG 4.03Å; F69-L73 WeakPolarHBondContact O-CB 3.36Å; F69-L73 WeakPolarHBondContact O-CG 3.38Å; F69-L73 PolarHBondContact O-N 3.35Å; F69-F167 HydrophobicContact CE1-CE2 4.08Å; F69-F167 HydrophobicContact CZ-CE2 4.07Å; F69-V168 HydrophobicContact CZ-CG1 3.89Å; F69-F171 HydrophobicContact CD2-CE2 4.16Å; F69-F171 AromaticContact CE2-CE2 3.79Å; F69-F171 HydrophobicContact CE2-CE2 3.79Å
70	L	92.9	Very high	91.8	Very high	110 Å²	110	61.8 Å²	61.8	58%	0.576	32%	0.317	S	S	*	.	H	α-helix	trans	-64.4	-43.9	178.9	-70.4	175.7	0	0	0	112.6	G66 L67 S72 L73 F74	G66-L70 WeakPolarHBondContact O-CB 3.37Å; G66-L70 VanDerWaalsContact O-CG 3.29Å; G66-L70 WeakPolarHBondContact O-CG 3.31Å; G66-L70 PolarHBondContact O-N 3.42Å; L67-L70 PolarHBondContact O-N 3.15Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.87Å; L70-L73 PolarHBondContact O-N 3.43Å; L70-F74 WeakPolarHBondContact O-CB 3.23Å; L70-F74 PolarHBondContact O-N 2.8Å
71	I	91.8	Very high	91.2	Very high	86 Å²	86	59.4 Å²	59.4	44%	0.441	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-46	175.6	-69.1	169.7	0	0	0	110	L67 L73 F74 I75	L67-I71 HydrophobicContact CD1-CD1 3.83Å; L67-I71 HydrophobicContact CD1-CG1 4.16Å; L67-I71 HydrophobicContact CG-CD1 3.76Å; L67-I71 HydrophobicContact CG-CG1 4.46Å; L67-I71 WeakPolarHBondContact O-CB 3.09Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.5Å; L67-I71 PolarHBondContact O-N 3.48Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 3.16Å; I71-F74 PolarHBondContact O-N 3.44Å; I71-I75 HydrophobicContact CG2-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CG1 4.46Å; I71-I75 VanDerWaalsContact O-CG1 3.3Å; I71-I75 WeakPolarHBondContact O-CG1 3.48Å; I71-I75 PolarHBondContact O-N 3.29Å
72	S	90.8	Very high	90.6	Very high	6 Å²	6	61.8 Å²	61.8	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-63.1	-40.5	178.9	-58.4	0	0	0	0	111.8	S68 F69 L70 S76 S107 F171	S68-S72 WeakPolarHBondContact O-CB 3.36Å; S68-S72 PolarHBondContact O-N 3.32Å; S68-S72 PolarHBondContact O-OG 2.94Å; F69-S72 PolarHBondContact O-N 3.16Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.87Å; S72-S76 WeakPolarHBondContact O-CB 3.46Å; S72-S76 PolarHBondContact O-N 3.38Å; S72-S107 WeakPolarHBondContact OG-CB 3.21Å; S72-S107 PolarHBondContact OG-OG 2.74Å; S72-F171 WeakPolarHBondContact O-CE1 2.92Å
73	L	90.7	Very high	90	Very high	11 Å²	11	61.1 Å²	61.1	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-45.7	176	-83.6	178.1	0	0	0	111.7	F69 L70 I71 S76 N77 F167 V168 F171	F69-L73 HydrophobicContact CD1-CD1 3.66Å; F69-L73 HydrophobicContact CD1-CG 4.36Å; F69-L73 HydrophobicContact CE1-CD1 3.21Å; F69-L73 HydrophobicContact CE1-CG 4.1Å; F69-L73 HydrophobicContact CE2-CD1 4.19Å; F69-L73 HydrophobicContact CE2-CG 4.24Å; F69-L73 HydrophobicContact CG-CD1 4.33Å; F69-L73 HydrophobicContact CZ-CD1 3.51Å; F69-L73 HydrophobicContact CZ-CD2 4.33Å; F69-L73 HydrophobicContact CZ-CG 4.03Å; F69-L73 WeakPolarHBondContact O-CB 3.36Å; F69-L73 WeakPolarHBondContact O-CG 3.38Å; F69-L73 PolarHBondContact O-N 3.35Å; L70-L73 PolarHBondContact O-N 3.43Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 3.16Å; L73-S76 PolarHBondContact O-N 3.39Å; L73-N77 VanDerWaalsContact O-CB 3.32Å; L73-N77 WeakPolarHBondContact O-CB 3.39Å; L73-N77 PolarHBondContact O-N 2.82Å; L73-N77 PolarHBondContact O-ND2 3.27Å; L73-F167 HydrophobicContact CD1-CD2 3.96Å; L73-F167 HydrophobicContact CD1-CE2 4.03Å; L73-V168 HydrophobicContact CD2-CB 4.15Å; L73-V168 HydrophobicContact CD2-CG1 3.98Å; L73-F171 HydrophobicContact CB-CZ 4.31Å; L73-F171 HydrophobicContact CD2-CD2 3.68Å; L73-F171 HydrophobicContact CD2-CE2 3.16Å; L73-F171 HydrophobicContact CD2-CZ 3.68Å; L73-F171 HydrophobicContact CG-CE2 3.59Å; L73-F171 HydrophobicContact CG-CZ 3.77Å
74	F	90.9	Very high	89	Confident	141 Å²	141	58.2 Å²	58.2	62%	0.618	33%	0.326	S	S	*	.	H	α-helix	trans	-60.8	-50.8	178.9	-179.4	-104.3	0	0	0	111.3	L70 I71 S76 N77 I78	L70-F74 WeakPolarHBondContact O-CB 3.23Å; L70-F74 PolarHBondContact O-N 2.8Å; I71-F74 PolarHBondContact O-N 3.44Å; F74-S76 PolarHBondContact O-N 2.96Å; F74-N77 PolarHBondContact O-N 2.87Å; F74-I78 HydrophobicContact CD1-CD1 3.91Å; F74-I78 HydrophobicContact CD2-CD1 4Å; F74-I78 HydrophobicContact CE1-CD1 3.4Å; F74-I78 VanDerWaalsContact CE1-CD1 3.4Å; F74-I78 HydrophobicContact CE2-CD1 3.5Å; F74-I78 HydrophobicContact CE2-CG1 4.42Å; F74-I78 HydrophobicContact CG-CD1 4.2Å; F74-I78 HydrophobicContact CZ-CD1 3.19Å; F74-I78 HydrophobicContact CZ-CG1 4.48Å; F74-I78 WeakPolarHBondContact O-CG1 3.44Å; F74-I78 PolarHBondContact O-N 2.9Å
75	I	89.8	Confident	87.7	Confident	47 Å²	47	54.9 Å²	54.9	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-51.2	175.9	-66.4	169.5	0	0	0	109.8	I71 N77 I78 F79	I71-I75 HydrophobicContact CG2-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CG1 4.46Å; I71-I75 VanDerWaalsContact O-CG1 3.3Å; I71-I75 WeakPolarHBondContact O-CG1 3.48Å; I71-I75 PolarHBondContact O-N 3.29Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 2.87Å; I75-I78 PolarHBondContact O-N 3.07Å; I75-F79 HydrophobicContact CG2-CD2 3.83Å; I75-F79 HydrophobicContact CG2-CE2 4.12Å; I75-F79 VanDerWaalsContact O-CD2 3.26Å; I75-F79 WeakPolarHBondContact O-CD2 3.26Å; I75-F79 PolarHBondContact O-N 3.33Å
76	S	89.6	Confident	86.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-39.7	-176.5	-159.9	0	0	0	0	112.1	S72 L73 F74 T80 G170 F171	S72-S76 WeakPolarHBondContact O-CB 3.46Å; S72-S76 PolarHBondContact O-N 3.38Å; L73-S76 PolarHBondContact O-N 3.39Å; F74-S76 PolarHBondContact O-N 2.96Å; S76-T80 WeakPolarHBondContact O-CB 3.39Å; S76-T80 WeakPolarHBondContact O-CG2 3.48Å; S76-T80 PolarHBondContact O-N 3.01Å; S76-T80 PolarHBondContact O-OG1 3.49Å; S76-G170 PolarHBondContact OG-O 3.31Å; S76-F171 PolarHBondContact OG-N 2.78Å
77	N	88.5	Confident	84.8	Confident	51 Å²	51	62.1 Å²	62.1	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-69.8	-46.8	179.5	-81.1	-40.6	0	0	0	112.1	L73 F74 I75 F79 T80 T81 F167 G170 R173	L73-N77 VanDerWaalsContact O-CB 3.32Å; L73-N77 WeakPolarHBondContact O-CB 3.39Å; L73-N77 PolarHBondContact O-N 2.82Å; L73-N77 PolarHBondContact O-ND2 3.27Å; F74-N77 PolarHBondContact O-N 2.87Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 2.87Å; N77-F79 PolarHBondContact O-N 3.28Å; N77-T80 PolarHBondContact O-N 2.88Å; N77-T81 PolarHBondContact O-N 2.97Å; N77-T81 PolarHBondContact O-OG1 3.18Å; N77-T81 VanDerWaalsContact O-OG1 3.07Å; N77-F167 PolarHBondContact ND2-O 3.22Å; N77-G170 VanDerWaalsContact OD1-CA 3.3Å; N77-G170 WeakPolarHBondContact OD1-CA 3.47Å; N77-G170 PolarHBondContact OD1-N 2.89Å; N77-G170 VanDerWaalsContact OD1-N 3.08Å; N77-R173 PolarHBondContact OD1-NH2 3.11Å; N77-R173 VanDerWaalsContact OD1-NH2 3.13Å
78	I	87.7	Confident	83.8	Confident	84 Å²	84	58.5 Å²	58.5	43%	0.431	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-52.1	178.4	-73.4	177.9	0	0	0	110.5	F74 I75 T81	F74-I78 HydrophobicContact CD1-CD1 3.91Å; F74-I78 HydrophobicContact CD2-CD1 4Å; F74-I78 HydrophobicContact CE1-CD1 3.4Å; F74-I78 VanDerWaalsContact CE1-CD1 3.4Å; F74-I78 HydrophobicContact CE2-CD1 3.5Å; F74-I78 HydrophobicContact CE2-CG1 4.42Å; F74-I78 HydrophobicContact CG-CD1 4.2Å; F74-I78 HydrophobicContact CZ-CD1 3.19Å; F74-I78 HydrophobicContact CZ-CG1 4.48Å; F74-I78 WeakPolarHBondContact O-CG1 3.44Å; F74-I78 PolarHBondContact O-N 2.9Å; I75-I78 PolarHBondContact O-N 3.07Å; I78-T81 VanDerWaalsContact O-CB 3.22Å; I78-T81 WeakPolarHBondContact O-CB 3.27Å; I78-T81 PolarHBondContact O-N 3.5Å; I78-T81 PolarHBondContact O-OG1 2.89Å
79	F	85.6	Confident	83.2	Confident	93 Å²	93	63 Å²	63	41%	0.408	35%	0.348	S	S	.	.	H	α-helix	trans	-81.9	-17.7	-171.8	-74	-88	0	0	0	113.9	I75 N77 T81 R96 I100	I75-F79 HydrophobicContact CG2-CD2 3.83Å; I75-F79 HydrophobicContact CG2-CE2 4.12Å; I75-F79 VanDerWaalsContact O-CD2 3.26Å; I75-F79 WeakPolarHBondContact O-CD2 3.26Å; I75-F79 PolarHBondContact O-N 3.33Å; N77-F79 PolarHBondContact O-N 3.28Å; F79-T81 VanDerWaalsContact C-N 3.27Å; F79-R96 HydrophobicContact CD1-CG 4.47Å; F79-R96 WeakPolarHBondContact O-CD 3.26Å; F79-R96 PolarHBondContact O-NE 2.84Å; F79-R96 PolarHBondContact O-NH1 3.49Å; F79-I100 HydrophobicContact CB-CD1 3.15Å; F79-I100 HydrophobicContact CB-CG1 4.19Å; F79-I100 HydrophobicContact CD1-CD1 3.71Å; F79-I100 HydrophobicContact CD1-CG1 4.38Å; F79-I100 HydrophobicContact CD2-CD1 4.42Å; F79-I100 HydrophobicContact CG-CD1 3.55Å; F79-I100 HydrophobicContact CG-CG1 4.22Å
80	T	85.6	Confident	82.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4	170.2	63.3	0	0	0	0	113.2	S76 N77 G82 Y83 G170 R173 L174	S76-T80 WeakPolarHBondContact O-CB 3.39Å; S76-T80 WeakPolarHBondContact O-CG2 3.48Å; S76-T80 PolarHBondContact O-N 3.01Å; S76-T80 PolarHBondContact O-OG1 3.49Å; N77-T80 PolarHBondContact O-N 2.88Å; T80-G82 PolarHBondContact O-N 3.32Å; T80-Y83 HydrophobicContact CG2-CD2 3.88Å; T80-Y83 HydrophobicContact CG2-CE2 4.23Å; T80-Y83 WeakPolarHBondContact O-CB 3.21Å; T80-Y83 PolarHBondContact O-N 3.04Å; T80-G170 WeakPolarHBondContact OG1-CA 3.37Å; T80-R173 HydrophobicContact CG2-CB 4.42Å; T80-R173 PolarHBondContact OG1-NE 3.2Å; T80-R173 PolarHBondContact OG1-NH2 3.25Å; T80-L174 HydrophobicContact CG2-CB 4.4Å
81	T	83.3	Confident	82.5	Confident	94 Å²	94	61.2 Å²	61.2	58%	0.577	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	129.3	172.7	-55.1	0	0	0	0	109.9	N77 I78 F79 R96	N77-T81 PolarHBondContact O-N 2.97Å; N77-T81 PolarHBondContact O-OG1 3.18Å; N77-T81 VanDerWaalsContact O-OG1 3.07Å; I78-T81 VanDerWaalsContact O-CB 3.22Å; I78-T81 WeakPolarHBondContact O-CB 3.27Å; I78-T81 PolarHBondContact O-N 3.5Å; I78-T81 PolarHBondContact O-OG1 2.89Å; F79-T81 VanDerWaalsContact C-N 3.27Å; T81-R96 PolarHBondContact O-NH1 3.41Å; T81-R96 PolarHBondContact O-NH2 3.41Å; T81-R96 VanDerWaalsContact O-NH2 3.09Å
82	G	81.6	Confident	82.1	Confident	76 Å²	76	57.9 Å²	57.9	78%	0.784	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-10.4	-176.9	0	0	0	0	0	115.5	T80 S84	T80-G82 PolarHBondContact O-N 3.32Å; G82-S84 PolarHBondContact O-N 3.13Å
83	Y	81.3	Confident	81.7	Confident	25 Å²	25	61.8 Å²	61.8	10%	0.098	35%	0.346	C	S	.	.			trans	-73.2	111.6	168.5	-68.9	-28.6	0	0	0	110	T80 S85 I92 R96 R173	T80-Y83 HydrophobicContact CG2-CD2 3.88Å; T80-Y83 HydrophobicContact CG2-CE2 4.23Å; T80-Y83 WeakPolarHBondContact O-CB 3.21Å; T80-Y83 PolarHBondContact O-N 3.04Å; Y83-S85 PolarHBondContact O-N 2.91Å; Y83-I92 HydrophobicContact CD1-CD1 3.82Å; Y83-I92 HydrophobicContact CD1-CG1 4.45Å; Y83-I92 HydrophobicContact CD2-CD1 3.89Å; Y83-I92 HydrophobicContact CE1-CD1 3.98Å; Y83-I92 HydrophobicContact CE1-CG1 4.34Å; Y83-I92 HydrophobicContact CE1-CG2 3.63Å; Y83-I92 HydrophobicContact CE2-CD1 4.09Å; Y83-I92 HydrophobicContact CE2-CG2 4.28Å; Y83-I92 HydrophobicContact CG-CD1 3.79Å; Y83-I92 WeakPolarHBondContact OH-CG2 3.37Å; Y83-R96 PolarHBondContact OH-NE 3.41Å; Y83-R96 VanDerWaalsContact OH-NE 3.1Å; Y83-R173 WeakPolarHBondContact O-CD 3.3Å
84	S	74.2	Confident	81.3	Confident	57 Å²	57	65.4 Å²	65.4	40%	0.399	37%	0.366	S	S	.	.			trans	-72.5	124.6	167.5	176.7	0	0	0	0	109.2	G82 S87 Q88	G82-S84 PolarHBondContact O-N 3.13Å; S84-S87 VanDerWaalsContact CB-OG 3.24Å; S84-S87 WeakPolarHBondContact CB-OG 3.48Å; S84-S87 PolarHBondContact OG-N 2.64Å; S84-S87 PolarHBondContact OG-OG 2.64Å; S84-Q88 WeakPolarHBondContact O-CG 3.49Å; S84-Q88 PolarHBondContact O-NE2 2.96Å
85	S	68.6	Low	81.1	Confident	16 Å²	16	65.8 Å²	65.8	11%	0.112	37%	0.367	C	S	.	.	S	Bend	trans	-80.5	-25.5	174.6	-160.4	0	0	0	0	112.8	Y83 L179	Y83-S85 PolarHBondContact O-N 2.91Å; S85-L179 WeakPolarHBondContact OG-CD1 3.43Å
86	K	68.5	Low	80.9	Confident	143 Å²	143	67.2 Å²	67.2	62%	0.622	37%	0.37	S	S	*	.	S	Bend	trans	-86.3	-22.1	-173.2	-69.7	-178.2	-179.6	170	0	113.6	T161 E165 L179	K86-T161 VanDerWaalsContact CE-CG2 3.49Å; K86-E165 WeakPolarHBondContact CE-OE1 3.45Å; K86-E165 IonicContact NZ-OE1 2.72Å; K86-E165 PolarHBondContact NZ-OE1 2.85Å; K86-L179 HydrophobicContact CG-CD1 4.08Å
87	S	61.5	Low	80.9	Confident	77 Å²	77	68.6 Å²	68.6	54%	0.538	38%	0.375	S	S	.	.			trans	-125.2	32.1	-166.7	68.6	0	0	0	0	114.2	S84 V89	S84-S87 VanDerWaalsContact CB-OG 3.24Å; S84-S87 WeakPolarHBondContact CB-OG 3.48Å; S84-S87 PolarHBondContact OG-N 2.64Å; S84-S87 PolarHBondContact OG-OG 2.64Å; S87-V89 PolarHBondContact O-N 2.99Å
88	Q	73.6	Confident	80.9	Confident	17 Å²	17	74.7 Å²	74.7	8%	0.079	39%	0.394	C	S	.	.			trans	-75.2	95.4	179.5	-62.7	-174.8	-18.7	0	0	110.7	S84 Q176 R197 W205	S84-Q88 WeakPolarHBondContact O-CG 3.49Å; S84-Q88 PolarHBondContact O-NE2 2.96Å; Q88-Q176 VanDerWaalsContact OE1-CA 3.3Å; Q88-R197 PolarHBondContact O-NH2 3.34Å; Q88-W205 HydrophobicContact CB-CH2 4Å; Q88-W205 HydrophobicContact CB-CZ3 4.33Å; Q88-W205 WeakPolarHBondContact O-CH2 3.27Å
89	V	78.4	Confident	81	Confident	108 Å²	108	74.4 Å²	74.4	66%	0.655	39%	0.393	S	S	*	.			trans	-79.2	-29.6	176.4	-176.6	0	0	0	0	111.8	S87 R197 W205	S87-V89 PolarHBondContact O-N 2.99Å; V89-R197 PolarHBondContact O-NH1 2.92Å; V89-W205 WeakPolarHBondContact O-CZ2 3.35Å
90	K	83.9	Confident	81.2	Confident	138 Å²	138	70.2 Å²	70.2	60%	0.6	38%	0.375	S	S	*	.	S	Bend	trans	-127.7	153.9	179.9	-70.2	-169.1	176.8	-166.4	0	111.2	I92 W205	K90-I92 PolarHBondContact O-N 3.15Å; K90-W205 VanDerWaalsContact CA-CZ2 3.47Å; K90-W205 WeakPolarHBondContact O-CH2 3.43Å
91	P	86.1	Confident	81.5	Confident	14 Å²	14	72 Å²	72	9%	0.091	38%	0.384	C	S	.	.			trans	-62.5	135.7	173.1	27.1	-33.1	0	0	0	109.6	C93 E203 W205	P91-C93 PolarHBondContact O-N 2.85Å; P91-C93 VanDerWaalsContact O-N 3.11Å; P91-E203 HydrophobicContact CG-CB 4.17Å; P91-W205 HydrophobicContact CB-CD2 3.99Å; P91-W205 HydrophobicContact CB-CE3 3.98Å; P91-W205 HydrophobicContact CB-CG 4.39Å; P91-W205 HydrophobicContact CB-CZ3 4.36Å; P91-W205 HydrophobicContact CG-CD2 4.41Å
92	I	84.5	Confident	81.9	Confident	16 Å²	16	70.9 Å²	70.9	8%	0.082	38%	0.379	C	S	.	.			trans	-66.3	109.5	168.4	-52.8	167	0	0	0	107.3	Y83 K90 D94 R97 Q176	Y83-I92 HydrophobicContact CD1-CD1 3.82Å; Y83-I92 HydrophobicContact CD1-CG1 4.45Å; Y83-I92 HydrophobicContact CD2-CD1 3.89Å; Y83-I92 HydrophobicContact CE1-CD1 3.98Å; Y83-I92 HydrophobicContact CE1-CG1 4.34Å; Y83-I92 HydrophobicContact CE1-CG2 3.63Å; Y83-I92 HydrophobicContact CE2-CD1 4.09Å; Y83-I92 HydrophobicContact CE2-CG2 4.28Å; Y83-I92 HydrophobicContact CG-CD1 3.79Å; Y83-I92 WeakPolarHBondContact OH-CG2 3.37Å; K90-I92 PolarHBondContact O-N 3.15Å; I92-D94 HydrophobicContact CG2-CB 4.35Å; I92-R97 HydrophobicContact CG2-CB 3.95Å; I92-R97 WeakPolarHBondContact O-CD 3.28Å; I92-R97 PolarHBondContact O-NH1 3.04Å; I92-Q176 HydrophobicContact CD1-CG 4.14Å; I92-Q176 HydrophobicContact CG1-CG 4.43Å; I92-Q176 PolarHBondContact O-NE2 3.45Å
93	C	81.1	Confident	82.4	Confident	89 Å²	89	71.2 Å²	71.2	60%	0.601	36%	0.361	S	S	*	.			trans	-112.3	9.5	175.9	-62.6	0	0	0	0	112.2	P91	P91-C93 PolarHBondContact O-N 2.85Å; P91-C93 VanDerWaalsContact O-N 3.11Å
94	D	84.3	Confident	82.9	Confident	87 Å²	87	70 Å²	70	47%	0.465	36%	0.357	S	S	.	.			trans	-63.6	149.5	-175.2	-47.2	-23.8	0	0	0	112	I92 R96 R97 W98	I92-D94 HydrophobicContact CG2-CB 4.35Å; D94-R96 PolarHBondContact O-N 3.18Å; D94-R97 PolarHBondContact O-N 3.32Å; D94-W98 PolarHBondContact O-N 2.9Å
95	F	85.7	Confident	83.8	Confident	148 Å²	148	72.2 Å²	72.2	65%	0.649	36%	0.357	S	S	*	.	H	α-helix	trans	-47.9	-36	174.8	177.7	-103.2	0	0	0	112.9	R97 W98 L99	F95-R97 PolarHBondContact O-N 3.38Å; F95-W98 AromaticContact CD2-CE3 3.86Å; F95-W98 HydrophobicContact CD2-CE3 3.86Å; F95-W98 HydrophobicContact CD2-CZ3 4.23Å; F95-W98 AromaticContact CE2-CE3 3.67Å; F95-W98 HydrophobicContact CE2-CE3 3.67Å; F95-W98 AromaticContact CE2-CZ3 3.58Å; F95-W98 HydrophobicContact CE2-CZ3 3.58Å; F95-W98 HydrophobicContact CZ-CE3 4.49Å; F95-W98 HydrophobicContact CZ-CZ3 4.29Å; F95-W98 PolarHBondContact O-N 3.29Å; F95-L99 HydrophobicContact CE1-CD2 4.3Å; F95-L99 WeakPolarHBondContact O-CB 3.35Å; F95-L99 PolarHBondContact O-N 3.48Å
96	R	86.5	Confident	85	Confident	77 Å²	77	77.6 Å²	77.6	29%	0.291	38%	0.381	S	S	.	.	H	α-helix	trans	-56.2	-51	176	-173.7	167.6	72.4	165	3.6	111.9	F79 T81 Y83 D94 L99 I100	F79-R96 HydrophobicContact CD1-CG 4.47Å; F79-R96 WeakPolarHBondContact O-CD 3.26Å; F79-R96 PolarHBondContact O-NE 2.84Å; F79-R96 PolarHBondContact O-NH1 3.49Å; T81-R96 PolarHBondContact O-NH1 3.41Å; T81-R96 PolarHBondContact O-NH2 3.41Å; T81-R96 VanDerWaalsContact O-NH2 3.09Å; Y83-R96 PolarHBondContact OH-NE 3.41Å; Y83-R96 VanDerWaalsContact OH-NE 3.1Å; D94-R96 PolarHBondContact O-N 3.18Å; R96-L99 PolarHBondContact O-N 2.86Å; R96-I100 HydrophobicContact CG-CD1 3.46Å; R96-I100 VanDerWaalsContact CG-CD1 3.46Å; R96-I100 WeakPolarHBondContact O-CB 3.09Å; R96-I100 WeakPolarHBondContact O-CD1 3.3Å; R96-I100 WeakPolarHBondContact O-CG1 3.2Å; R96-I100 PolarHBondContact O-N 2.87Å
97	R	87.5	Confident	86.2	Confident	29 Å²	29	71.9 Å²	71.9	11%	0.109	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-43.6	178.3	-177	-174.3	-174.6	-149.5	-0.7	111.1	I92 D94 F95 L99 I100 L101 L174	I92-R97 HydrophobicContact CG2-CB 3.95Å; I92-R97 WeakPolarHBondContact O-CD 3.28Å; I92-R97 PolarHBondContact O-NH1 3.04Å; D94-R97 PolarHBondContact O-N 3.32Å; F95-R97 PolarHBondContact O-N 3.38Å; R97-L99 VanDerWaalsContact C-N 3.25Å; R97-L99 PolarHBondContact O-N 3.44Å; R97-I100 PolarHBondContact O-N 3.38Å; R97-L101 HydrophobicContact CG-CB 4.49Å; R97-L101 WeakPolarHBondContact O-CB 3.03Å; R97-L101 PolarHBondContact O-N 2.91Å; R97-L174 HydrophobicContact CG-CD1 3.93Å
98	W	89.5	Confident	87.7	Confident	179 Å²	179	69.3 Å²	69.3	68%	0.678	34%	0.343	S	S	*	.	H	α-helix	trans	-56.6	-40.5	178.9	175.4	86	0	0	0	112.1	D94 F95 P102	D94-W98 PolarHBondContact O-N 2.9Å; F95-W98 AromaticContact CD2-CE3 3.86Å; F95-W98 HydrophobicContact CD2-CE3 3.86Å; F95-W98 HydrophobicContact CD2-CZ3 4.23Å; F95-W98 AromaticContact CE2-CE3 3.67Å; F95-W98 HydrophobicContact CE2-CE3 3.67Å; F95-W98 AromaticContact CE2-CZ3 3.58Å; F95-W98 HydrophobicContact CE2-CZ3 3.58Å; F95-W98 HydrophobicContact CZ-CE3 4.49Å; F95-W98 HydrophobicContact CZ-CZ3 4.29Å; F95-W98 PolarHBondContact O-N 3.29Å; W98-P102 WeakPolarHBondContact O-CD 3.33Å; W98-P102 WeakPolarHBondContact O-CG 3.23Å
99	L	90	Very high	88.8	Confident	79 Å²	79	71.5 Å²	71.5	41%	0.414	35%	0.35	S	S	.	.	H	α-helix	trans	-72.7	-42.3	177.3	-177.4	63.2	0	0	0	113.1	F95 R96 R97 I103	F95-L99 HydrophobicContact CE1-CD2 4.3Å; F95-L99 WeakPolarHBondContact O-CB 3.35Å; F95-L99 PolarHBondContact O-N 3.48Å; R96-L99 PolarHBondContact O-N 2.86Å; R97-L99 VanDerWaalsContact C-N 3.25Å; R97-L99 PolarHBondContact O-N 3.44Å; L99-I103 HydrophobicContact CG-CD1 4.48Å; L99-I103 WeakPolarHBondContact O-CD1 3.39Å; L99-I103 WeakPolarHBondContact O-CG1 3.12Å
100	I	89.9	Confident	89.6	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-85.6	-34.5	-169.1	-64	156.4	0	0	0	112.9	F79 R96 R97 I103 V104 L174	F79-I100 HydrophobicContact CB-CD1 3.15Å; F79-I100 HydrophobicContact CB-CG1 4.19Å; F79-I100 HydrophobicContact CD1-CD1 3.71Å; F79-I100 HydrophobicContact CD1-CG1 4.38Å; F79-I100 HydrophobicContact CD2-CD1 4.42Å; F79-I100 HydrophobicContact CG-CD1 3.55Å; F79-I100 HydrophobicContact CG-CG1 4.22Å; R96-I100 HydrophobicContact CG-CD1 3.46Å; R96-I100 VanDerWaalsContact CG-CD1 3.46Å; R96-I100 WeakPolarHBondContact O-CB 3.09Å; R96-I100 WeakPolarHBondContact O-CD1 3.3Å; R96-I100 WeakPolarHBondContact O-CG1 3.2Å; R96-I100 PolarHBondContact O-N 2.87Å; R97-I100 PolarHBondContact O-N 3.38Å; I100-I103 WeakPolarHBondContact O-CB 3.36Å; I100-I103 PolarHBondContact O-N 3.35Å; I100-V104 HydrophobicContact CG2-CG2 3.59Å; I100-V104 PolarHBondContact O-N 2.95Å; I100-L174 HydrophobicContact CG2-CD1 4.49Å; I100-L174 HydrophobicContact CG2-CD2 4.32Å
101	L	90.8	Very high	90.1	Very high	38 Å²	38	64.9 Å²	64.9	20%	0.199	32%	0.316	C	S	.	.	H	α-helix	trans	-56.4	-46	-176.1	-173.9	74.3	0	0	0	112.3	R97 R105 M154 L174	R97-L101 HydrophobicContact CG-CB 4.49Å; R97-L101 WeakPolarHBondContact O-CB 3.03Å; R97-L101 PolarHBondContact O-N 2.91Å; L101-R105 VanDerWaalsContact O-CB 3.23Å; L101-R105 WeakPolarHBondContact O-CB 3.4Å; L101-R105 PolarHBondContact O-N 2.82Å; L101-M154 HydrophobicContact CD1-CB 3.68Å; L101-M154 HydrophobicContact CD1-CG 4.15Å; L101-M154 HydrophobicContact CG-CB 4.47Å; L101-L174 HydrophobicContact CB-CD1 4.45Å; L101-L174 HydrophobicContact CD1-CD1 4.19Å; L101-L174 HydrophobicContact CD1-CD2 3.8Å; L101-L174 HydrophobicContact CD1-CG 3.66Å
102	P	92.5	Very high	90.5	Very high	72 Å²	72	66 Å²	66	47%	0.468	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-40.7	173.4	-22.1	34.9	0	0	0	112.8	W98 R105 M106	W98-P102 WeakPolarHBondContact O-CD 3.33Å; W98-P102 WeakPolarHBondContact O-CG 3.23Å; P102-R105 PolarHBondContact O-N 3.34Å; P102-M106 WeakPolarHBondContact O-CB 3.21Å; P102-M106 WeakPolarHBondContact O-CG 3.15Å; P102-M106 PolarHBondContact O-N 3.42Å
103	I	92.2	Very high	91	Very high	82 Å²	82	70 Å²	70	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-50.8	-179.7	-62.9	171.7	0	0	0	110.5	L99 I100 R105 M106 S107	L99-I103 HydrophobicContact CG-CD1 4.48Å; L99-I103 WeakPolarHBondContact O-CD1 3.39Å; L99-I103 WeakPolarHBondContact O-CG1 3.12Å; I100-I103 WeakPolarHBondContact O-CB 3.36Å; I100-I103 PolarHBondContact O-N 3.35Å; I103-R105 PolarHBondContact O-N 3.31Å; I103-M106 PolarHBondContact O-N 2.93Å; I103-S107 WeakPolarHBondContact O-CB 3.29Å; I103-S107 PolarHBondContact O-N 3.28Å; I103-S107 PolarHBondContact O-OG 2.93Å
104	V	91.8	Very high	91.6	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-38.6	179.3	173.6	0	0	0	0	111.2	I100 S107 A108 M154 F171 L174	I100-V104 HydrophobicContact CG2-CG2 3.59Å; I100-V104 PolarHBondContact O-N 2.95Å; V104-S107 WeakPolarHBondContact CA-OG 3.47Å; V104-S107 PolarHBondContact O-N 3.46Å; V104-S107 PolarHBondContact O-OG 3.5Å; V104-A108 WeakPolarHBondContact O-CB 3.48Å; V104-A108 PolarHBondContact O-N 2.84Å; V104-M154 HydrophobicContact CG1-CE 4.16Å; V104-F171 HydrophobicContact CG1-CD1 3.72Å; V104-F171 HydrophobicContact CG1-CE1 3.85Å; V104-L174 HydrophobicContact CB-CD2 3.85Å; V104-L174 HydrophobicContact CG1-CD2 3.97Å; V104-L174 HydrophobicContact CG2-CD2 3.96Å
105	R	93.3	Very high	92.1	Very high	103 Å²	103	62.7 Å²	62.7	39%	0.389	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-46.5	174.6	-177.7	-173.2	-178.6	-178.4	1.6	111.1	L101 P102 I103 R109 V150 A151 M154	L101-R105 VanDerWaalsContact O-CB 3.23Å; L101-R105 WeakPolarHBondContact O-CB 3.4Å; L101-R105 PolarHBondContact O-N 2.82Å; P102-R105 PolarHBondContact O-N 3.34Å; I103-R105 PolarHBondContact O-N 3.31Å; R105-R109 VanDerWaalsContact O-CB 3.27Å; R105-R109 WeakPolarHBondContact O-CB 3.5Å; R105-R109 PolarHBondContact O-N 2.84Å; R105-V150 HydrophobicContact CG-CG1 4.35Å; R105-V150 PolarHBondContact NE-O 3.45Å; R105-A151 PolarHBondContact NH2-O 2.97Å; R105-A151 VanDerWaalsContact NH2-O 3.16Å; R105-M154 HydrophobicContact CB-CG 4.04Å; R105-M154 HydrophobicContact CG-CG 4.22Å
106	M	94.1	Very high	92.5	Very high	128 Å²	128	55.6 Å²	55.6	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-66.8	-40.7	-179.5	-72.3	-56.7	-66.5	0	0	111.7	P102 I103 R109 F110	P102-M106 WeakPolarHBondContact O-CB 3.21Å; P102-M106 WeakPolarHBondContact O-CG 3.15Å; P102-M106 PolarHBondContact O-N 3.42Å; I103-M106 PolarHBondContact O-N 2.93Å; M106-R109 PolarHBondContact O-N 3.34Å; M106-F110 WeakPolarHBondContact O-CB 3.46Å; M106-F110 PolarHBondContact O-N 2.87Å
107	S	93.1	Very high	92.9	Very high	24 Å²	24	52 Å²	52	17%	0.168	25%	0.25	C	S	.	.	H	α-helix	trans	-68.6	-39.8	177.3	71.1	0	0	0	0	112.3	S68 S72 I103 V104 F110 A111	S68-S107 PolarHBondContact OG-O 3.43Å; S68-S107 VanDerWaalsContact OG-O 3.08Å; S72-S107 WeakPolarHBondContact OG-CB 3.21Å; S72-S107 PolarHBondContact OG-OG 2.74Å; I103-S107 WeakPolarHBondContact O-CB 3.29Å; I103-S107 PolarHBondContact O-N 3.28Å; I103-S107 PolarHBondContact O-OG 2.93Å; V104-S107 WeakPolarHBondContact CA-OG 3.47Å; V104-S107 PolarHBondContact O-N 3.46Å; V104-S107 PolarHBondContact O-OG 3.5Å; S107-F110 WeakPolarHBondContact O-CB 3.37Å; S107-F110 PolarHBondContact O-N 2.88Å; S107-A111 PolarHBondContact O-N 3.47Å
108	A	93.6	Very high	93.2	Very high	22 Å²	22	53 Å²	53	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-45.3	172.2	0	0	0	0	0	110.9	V104 F110 A111 F112 V150	V104-A108 WeakPolarHBondContact O-CB 3.48Å; V104-A108 PolarHBondContact O-N 2.84Å; A108-F110 VanDerWaalsContact C-N 3.28Å; A108-F110 PolarHBondContact O-N 2.93Å; A108-A111 WeakPolarHBondContact O-CB 3.43Å; A108-A111 PolarHBondContact O-N 2.8Å; A108-F112 VanDerWaalsContact O-CD2 3.26Å; A108-F112 WeakPolarHBondContact O-CD2 3.4Å; A108-F112 PolarHBondContact O-N 3.25Å; A108-V150 HydrophobicContact CB-CG1 4.18Å; A108-V150 HydrophobicContact CB-CG2 3.75Å
109	R	95	Very high	93.4	Very high	63 Å²	63	53.2 Å²	53.2	24%	0.238	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-39	176	179.9	61	-174.6	100.6	-6.1	111.8	R105 M106 F113 F117 H118 V150	R105-R109 VanDerWaalsContact O-CB 3.27Å; R105-R109 WeakPolarHBondContact O-CB 3.5Å; R105-R109 PolarHBondContact O-N 2.84Å; M106-R109 PolarHBondContact O-N 3.34Å; R109-F113 WeakPolarHBondContact O-CB 3.46Å; R109-F113 PolarHBondContact O-N 3.16Å; R109-F117 PolarHBondContact NH1-O 2.92Å; R109-F117 PolarHBondContact NH2-O 2.63Å; R109-H118 PolarHBondContact NH2-O 2.95Å; R109-V150 HydrophobicContact CB-CG1 4.01Å
110	F	95.4	Very high	93.6	Very high	92 Å²	92	51.3 Å²	51.3	40%	0.404	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-42.3	174.3	178.6	-100.5	0	0	0	112	M64 M106 S107 A108 F112 F113 A114	M64-F110 HydrophobicContact CE-CE1 3.96Å; M64-F110 HydrophobicContact CE-CZ 3.55Å; M106-F110 WeakPolarHBondContact O-CB 3.46Å; M106-F110 PolarHBondContact O-N 2.87Å; S107-F110 WeakPolarHBondContact O-CB 3.37Å; S107-F110 PolarHBondContact O-N 2.88Å; A108-F110 VanDerWaalsContact C-N 3.28Å; A108-F110 PolarHBondContact O-N 2.93Å; F110-F112 PolarHBondContact O-N 3.36Å; F110-F113 WeakPolarHBondContact O-CB 3.38Å; F110-F113 PolarHBondContact O-N 3.46Å; F110-A114 WeakPolarHBondContact O-CB 3.33Å; F110-A114 PolarHBondContact O-N 3.14Å
111	A	94.5	Very high	94	Very high	16 Å²	16	56.1 Å²	56.1	13%	0.132	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-47	174.7	0	0	0	0	0	110.9	V65 S107 A108 F113 A114 G115	V65-A111 WeakPolarHBondContact CG2-O 3.19Å; S107-A111 PolarHBondContact O-N 3.47Å; A108-A111 WeakPolarHBondContact O-CB 3.43Å; A108-A111 PolarHBondContact O-N 2.8Å; A111-F113 VanDerWaalsContact C-N 3.34Å; A111-F113 PolarHBondContact O-N 2.84Å; A111-A114 PolarHBondContact O-N 2.84Å; A111-G115 PolarHBondContact O-N 3.34Å
112	F	95.2	Very high	94.3	Very high	38 Å²	38	58.4 Å²	58.4	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-37.1	174.6	-79.3	-73.2	0	0	0	112.8	A108 F110 G115 G116 F117 L144 A146 L147 V150	A108-F112 VanDerWaalsContact O-CD2 3.26Å; A108-F112 WeakPolarHBondContact O-CD2 3.4Å; A108-F112 PolarHBondContact O-N 3.25Å; F110-F112 PolarHBondContact O-N 3.36Å; F112-G115 CarbonylContact O-C 3.45Å; F112-G115 PolarHBondContact O-N 3.28Å; F112-G116 PolarHBondContact O-N 2.88Å; F112-F117 HydrophobicContact CB-CB 4.31Å; F112-F117 HydrophobicContact CB-CD2 4.26Å; F112-F117 AromaticContact CD1-CD2 3.69Å; F112-F117 HydrophobicContact CD1-CD2 3.69Å; F112-F117 AromaticContact CD1-CE2 3.88Å; F112-F117 HydrophobicContact CD1-CE2 3.88Å; F112-F117 HydrophobicContact CE1-CE2 4.4Å; F112-F117 HydrophobicContact CG-CD2 4.47Å; F112-F117 WeakPolarHBondContact O-CB 3.48Å; F112-F117 PolarHBondContact O-N 3.22Å; F112-L144 HydrophobicContact CE1-CD2 4.13Å; F112-A146 HydrophobicContact CZ-CB 4.29Å; F112-L147 HydrophobicContact CB-CD1 3.74Å; F112-L147 HydrophobicContact CB-CD2 4.46Å; F112-L147 HydrophobicContact CD1-CB 3.98Å; F112-L147 HydrophobicContact CD1-CD1 4.11Å; F112-L147 HydrophobicContact CD1-CD2 4.06Å; F112-L147 HydrophobicContact CD1-CG 4.27Å; F112-L147 HydrophobicContact CD2-CB 4.27Å; F112-L147 HydrophobicContact CD2-CD1 3.67Å; F112-L147 HydrophobicContact CD2-CG 4.49Å; F112-L147 HydrophobicContact CE1-CB 3.75Å; F112-L147 HydrophobicContact CE2-CB 4.06Å; F112-L147 HydrophobicContact CE2-CD1 4.25Å; F112-L147 HydrophobicContact CG-CB 4.24Å; F112-L147 HydrophobicContact CG-CD1 3.59Å; F112-L147 HydrophobicContact CG-CD2 4.31Å; F112-L147 HydrophobicContact CG-CG 4.25Å; F112-L147 HydrophobicContact CZ-CB 3.79Å; F112-V150 HydrophobicContact CE2-CG2 4.19Å
113	F	95.5	Very high	94.5	Very high	99 Å²	99	57.9 Å²	57.9	43%	0.434	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-50.8	174.1	-177.3	-89.3	0	0	0	111.3	R109 F110 A111 G115 G116 H118	R109-F113 WeakPolarHBondContact O-CB 3.46Å; R109-F113 PolarHBondContact O-N 3.16Å; F110-F113 WeakPolarHBondContact O-CB 3.38Å; F110-F113 PolarHBondContact O-N 3.46Å; A111-F113 VanDerWaalsContact C-N 3.34Å; A111-F113 PolarHBondContact O-N 2.84Å; F113-G115 PolarHBondContact O-N 3.1Å; F113-G116 PolarHBondContact O-N 3.32Å; F113-H118 HydrophobicContact CD2-CB 4.26Å; F113-H118 AromaticContact CD2-CD2 3.71Å; F113-H118 HydrophobicContact CE2-CB 3.98Å; F113-H118 AromaticContact CE2-CD2 3.54Å; F113-H118 AromaticContact CZ-CD2 3.71Å; F113-H118 PolarHBondContact O-CD2 3.37Å; F113-H118 PolarHBondContact O-NE2 2.79Å
114	A	94.3	Very high	94.7	Very high	17 Å²	17	56.5 Å²	56.5	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-33.4	175.6	0	0	0	0	0	111.9	R61 M64 V65 F110 A111 G116	R61-A114 WeakPolarHBondContact CD-O 3.12Å; R61-A114 WeakPolarHBondContact CG-O 3.21Å; R61-A114 PolarHBondContact NE-O 3.04Å; M64-A114 HydrophobicContact CB-CB 4.01Å; V65-A114 HydrophobicContact CG2-CB 3.89Å; F110-A114 WeakPolarHBondContact O-CB 3.33Å; F110-A114 PolarHBondContact O-N 3.14Å; A111-A114 PolarHBondContact O-N 2.84Å; A114-G116 PolarHBondContact O-N 2.91Å
115	G	93.6	Very high	94.9	Very high	5 Å²	5	62.4 Å²	62.4	5%	0.052	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-2.4	172.7	0	0	0	0	0	115.2	A111 F112 F113	A111-G115 PolarHBondContact O-N 3.34Å; F112-G115 CarbonylContact O-C 3.45Å; F112-G115 PolarHBondContact O-N 3.28Å; F113-G115 PolarHBondContact O-N 3.1Å
116	G	93.9	Very high	95	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	3.9	175.8	0	0	0	0	0	115.3	F112 F113 A114 H118 N271 N272	F112-G116 PolarHBondContact O-N 2.88Å; F113-G116 PolarHBondContact O-N 3.32Å; A114-G116 PolarHBondContact O-N 2.91Å; G116-H118 PolarHBondContact O-N 3.01Å; G116-N271 CarbonylContact O-C 3.55Å; G116-N271 WeakPolarHBondContact O-CA 3.24Å; G116-N271 PolarHBondContact O-OD1 3.02Å; G116-N272 PolarHBondContact O-N 2.61Å
117	F	94.4	Very high	95.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	29%	0.286	C	S	.	.			trans	-87.1	76.2	172.9	-63.1	-82.5	0	0	0	110.9	R109 F112 L144 L147 W243 L266 N272	R109-F117 PolarHBondContact NH1-O 2.92Å; R109-F117 PolarHBondContact NH2-O 2.63Å; F112-F117 HydrophobicContact CB-CB 4.31Å; F112-F117 HydrophobicContact CB-CD2 4.26Å; F112-F117 AromaticContact CD1-CD2 3.69Å; F112-F117 HydrophobicContact CD1-CD2 3.69Å; F112-F117 AromaticContact CD1-CE2 3.88Å; F112-F117 HydrophobicContact CD1-CE2 3.88Å; F112-F117 HydrophobicContact CE1-CE2 4.4Å; F112-F117 HydrophobicContact CG-CD2 4.47Å; F112-F117 WeakPolarHBondContact O-CB 3.48Å; F112-F117 PolarHBondContact O-N 3.22Å; F117-L144 HydrophobicContact CE2-CD2 4.38Å; F117-L144 HydrophobicContact CZ-CD1 4.26Å; F117-L147 HydrophobicContact CB-CD2 3.77Å; F117-L147 HydrophobicContact CD1-CD2 3.7Å; F117-L147 HydrophobicContact CD2-CD2 4.14Å; F117-L147 HydrophobicContact CE1-CD2 4.28Å; F117-L147 HydrophobicContact CG-CD2 3.61Å; F117-W243 HydrophobicContact CD1-CZ3 4.05Å; F117-W243 HydrophobicContact CE1-CE3 4.13Å; F117-W243 HydrophobicContact CE1-CH2 4.23Å; F117-W243 AromaticContact CE1-CZ3 3.4Å; F117-W243 HydrophobicContact CE1-CZ3 3.4Å; F117-W243 HydrophobicContact CZ-CZ3 4.13Å; F117-L266 HydrophobicContact CE1-CD1 4.24Å; F117-L266 HydrophobicContact CE2-CD1 3.8Å; F117-L266 HydrophobicContact CE2-CD2 3.92Å; F117-L266 HydrophobicContact CE2-CG 4.26Å; F117-L266 HydrophobicContact CZ-CD1 3.42Å; F117-L266 VanDerWaalsContact CZ-CD1 3.42Å; F117-L266 HydrophobicContact CZ-CD2 4.21Å; F117-L266 HydrophobicContact CZ-CG 4.33Å; F117-N272 HydrophobicContact CD1-CB 3.47Å; F117-N272 VanDerWaalsContact CD1-CB 3.47Å; F117-N272 HydrophobicContact CE1-CB 3.38Å; F117-N272 HydrophobicContact CG-CB 4.14Å; F117-N272 HydrophobicContact CZ-CB 4.05Å
118	H	94	Very high	95.3	Very high	49 Å²	49	57.4 Å²	57.4	23%	0.227	30%	0.297	C	S	.	.			trans	-78.8	-38.6	-178.3	-46.5	119.4	0	0	0	111.3	R109 F113 G116 F270 N271	R109-H118 PolarHBondContact NH2-O 2.95Å; F113-H118 HydrophobicContact CD2-CB 4.26Å; F113-H118 AromaticContact CD2-CD2 3.71Å; F113-H118 HydrophobicContact CE2-CB 3.98Å; F113-H118 AromaticContact CE2-CD2 3.54Å; F113-H118 AromaticContact CZ-CD2 3.71Å; F113-H118 PolarHBondContact O-CD2 3.37Å; F113-H118 PolarHBondContact O-NE2 2.79Å; G116-H118 PolarHBondContact O-N 3.01Å; H118-F270 PolarHBondContact CE1-O 2.91Å; H118-N271 WeakPolarHBondContact CB-OD1 3.49Å; H118-N271 PolarHBondContact ND1-OD1 2.73Å
119	W	93.4	Very high	95.3	Very high	183 Å²	183	58.4 Å²	58.4	69%	0.693	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.2	-171	-54.1	104.9	0	0	0	112.5	L274	W119-L274 PolarHBondContact O-N 3.32Å
120	I	95.8	Very high	95.2	Very high	40 Å²	40	64.7 Å²	64.7	21%	0.205	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.6	172.1	-55.1	175	0	0	0	106.5	V122 L147 A151 L274 I276	I120-V122 HydrophobicContact CG2-CG2 4.2Å; I120-L147 HydrophobicContact CD1-CD1 3.87Å; I120-L147 HydrophobicContact CD1-CD2 4.42Å; I120-L147 HydrophobicContact CD1-CG 4.22Å; I120-A151 HydrophobicContact CD1-CB 4.21Å; I120-A151 HydrophobicContact CG2-CB 4.46Å; I120-L274 CarbonylContact C-O 3.54Å; I120-L274 WeakPolarHBondContact CA-O 3.29Å; I120-L274 HydrophobicContact CG1-CD2 4.46Å; I120-L274 HydrophobicContact CG2-CB 4.5Å; I120-L274 HydrophobicContact CG2-CD2 4.12Å; I120-L274 HydrophobicContact CG2-CG 4.19Å; I120-I276 HydrophobicContact CG2-CD1 3.99Å; I120-I276 HydrophobicContact CG2-CG1 4.48Å
121	K	97.1	Very high	95.2	Very high	105 Å²	105	65.7 Å²	65.7	46%	0.457	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.8	175	-169.8	-173.5	-177.5	-164	0	108	Q123 L274 E275 I276	K121-Q123 HydrophobicContact CD-CG 4.34Å; K121-Q123 HydrophobicContact CG-CG 4.29Å; K121-L274 PolarHBondContact N-O 3.25Å; K121-E275 HydrophobicContact CB-CB 4.26Å; K121-E275 HydrophobicContact CB-CG 3.96Å; K121-E275 HydrophobicContact CD-CG 4.17Å; K121-E275 IonicContact NZ-OE2 3.86Å; K121-E275 CarbonylContact O-C 3.59Å; K121-E275 VanDerWaalsContact O-CA 3.31Å; K121-E275 WeakPolarHBondContact O-CA 3.22Å; K121-I276 PolarHBondContact O-N 2.88Å
122	V	97.2	Very high	95.3	Very high	85 Å²	85	64.9 Å²	64.9	52%	0.515	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.3	175.3	179.9	0	0	0	0	108.1	I120 I276 F278	I120-V122 HydrophobicContact CG2-CG2 4.2Å; V122-I276 CarbonylContact C-O 3.45Å; V122-I276 WeakPolarHBondContact CA-O 3.37Å; V122-F278 HydrophobicContact CG1-CD2 3.94Å; V122-F278 HydrophobicContact CG1-CE2 3.5Å; V122-F278 VanDerWaalsContact CG1-CE2 3.5Å
123	Q	97	Very high	95.4	Very high	61 Å²	61	63.5 Å²	63.5	29%	0.285	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.5	177.6	-54.7	-171.9	40.7	0	0	109.1	K121 E275 I276 E277 F278	K121-Q123 HydrophobicContact CD-CG 4.34Å; K121-Q123 HydrophobicContact CG-CG 4.29Å; Q123-E275 PolarHBondContact NE2-OE2 2.95Å; Q123-I276 PolarHBondContact N-O 3.19Å; Q123-E277 HydrophobicContact CB-CB 4.23Å; Q123-E277 HydrophobicContact CB-CG 4.18Å; Q123-E277 WeakPolarHBondContact O-CA 3.49Å; Q123-F278 WeakPolarHBondContact O-CD2 3.46Å; Q123-F278 PolarHBondContact O-N 3.03Å
124	G	95.8	Very high	95.5	Very high	54 Å²	54	58.8 Å²	58.8	56%	0.557	30%	0.298	S	S	*	.	S	Bend	trans	75	-177.4	-174.9	0	0	0	0	0	113.5
125	V	96.4	Very high	95.7	Very high	124 Å²	124	58 Å²	58	75%	0.752	29%	0.292	S	S	*	.			trans	-117.5	126.1	-177	-179.2	0	0	0	0	109	A127 Q237	V125-A127 PolarHBondContact O-N 3Å; V125-Q237 PolarHBondContact O-NE2 3.1Å
126	R	96.6	Very high	95.8	Very high	86 Å²	86	57.7 Å²	57.7	33%	0.325	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-68.3	124.2	172.6	-176.8	-179.9	171.5	-178.7	2.4	109.6	M135 L152 F278	R126-M135 HydrophobicContact CG-SD 4.13Å; R126-L152 PolarHBondContact NH1-O 3.02Å; R126-F278 HydrophobicContact CB-CD1 4.03Å; R126-F278 HydrophobicContact CB-CD2 4.36Å; R126-F278 HydrophobicContact CB-CE1 3.71Å; R126-F278 HydrophobicContact CB-CE2 4.03Å; R126-F278 HydrophobicContact CB-CG 4.35Å; R126-F278 HydrophobicContact CB-CZ 3.7Å; R126-F278 HydrophobicContact CG-CD1 4.3Å; R126-F278 HydrophobicContact CG-CE1 3.78Å; R126-F278 HydrophobicContact CG-CZ 4.1Å
127	A	96.2	Very high	96	Very high	9 Å²	9	57.7 Å²	57.7	7%	0.074	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.5	150.7	174.1	0	0	0	0	0	110.8	V125 E131 A132 Q207 V281	V125-A127 PolarHBondContact O-N 3Å; A127-E131 HydrophobicContact CB-CB 4.16Å; A127-A132 HydrophobicContact CB-CB 4.03Å; A127-Q207 PolarHBondContact O-NE2 3.09Å; A127-V281 HydrophobicContact CB-CG2 3.35Å
128	S	95.7	Very high	96.1	Very high	56 Å²	56	57.6 Å²	57.6	39%	0.392	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-67.7	163	170.2	69.9	0	0	0	0	111	K130 E131 A132 Q207	S128-K130 PolarHBondContact O-N 3.02Å; S128-E131 WeakPolarHBondContact CB-OE2 3.36Å; S128-E131 PolarHBondContact N-OE2 2.59Å; S128-E131 PolarHBondContact O-N 2.59Å; S128-E131 VanDerWaalsContact OG-CD 3.29Å; S128-E131 WeakPolarHBondContact OG-CG 3.45Å; S128-E131 PolarHBondContact OG-N 2.84Å; S128-E131 PolarHBondContact OG-OE2 3.49Å; S128-A132 PolarHBondContact O-N 3.28Å; S128-Q207 PolarHBondContact O-NE2 2.95Å; S128-Q207 VanDerWaalsContact O-NE2 3.17Å
129	R	94.4	Very high	96.2	Very high	42 Å²	42	55.4 Å²	55.4	16%	0.158	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.3	174	-179.3	-175.7	-179.5	-93.4	-6.4	112.8	E131 A132 P133 R198 S201 E203 W205 Q207	R129-E131 VanDerWaalsContact C-N 3.3Å; R129-A132 CarbonylContact O-C 3.58Å; R129-A132 VanDerWaalsContact O-C 3.25Å; R129-P133 HydrophobicContact CG-CB 4.48Å; R129-P133 WeakPolarHBondContact O-CA 3.32Å; R129-P133 WeakPolarHBondContact O-CD 3.48Å; R129-R198 PolarHBondContact NH2-O 3.35Å; R129-S201 PolarHBondContact NH1-O 2.99Å; R129-S201 PolarHBondContact NH2-O 3.41Å; R129-E203 PolarHBondContact NH1-O 3.49Å; R129-E203 PolarHBondContact NH2-O 2.86Å; R129-W205 WeakPolarHBondContact CD-O 3.41Å; R129-W205 PolarHBondContact NE-O 2.75Å; R129-Q207 HydrophobicContact CB-CG 3.78Å; R129-Q207 HydrophobicContact CG-CG 4.17Å
130	K	93.6	Very high	96.3	Very high	195 Å²	195	48.5 Å²	48.5	85%	0.848	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-34.5	-177	-66.8	-173	177.7	-173.7	0	111.5	S128	S128-K130 PolarHBondContact O-N 3.02Å
131	E	95.6	Very high	96.2	Very high	113 Å²	113	46.6 Å²	46.6	53%	0.528	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-43.9	176.3	-67.1	160.6	142.8	0	0	111.5	A127 S128 R129 P235	A127-E131 HydrophobicContact CB-CB 4.16Å; S128-E131 WeakPolarHBondContact CB-OE2 3.36Å; S128-E131 PolarHBondContact N-OE2 2.59Å; S128-E131 PolarHBondContact O-N 2.59Å; S128-E131 VanDerWaalsContact OG-CD 3.29Å; S128-E131 WeakPolarHBondContact OG-CG 3.45Å; S128-E131 PolarHBondContact OG-N 2.84Å; S128-E131 PolarHBondContact OG-OE2 3.49Å; R129-E131 VanDerWaalsContact C-N 3.3Å; E131-P235 VanDerWaalsContact O-CB 3.31Å; E131-P235 WeakPolarHBondContact O-CB 3.11Å
132	A	96.5	Very high	95.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.			trans	-142.7	100.3	178.1	0	0	0	0	0	110.3	A127 S128 R129 I134 Q207 Q237 V281	A127-A132 HydrophobicContact CB-CB 4.03Å; S128-A132 PolarHBondContact O-N 3.28Å; R129-A132 CarbonylContact O-C 3.58Å; R129-A132 VanDerWaalsContact O-C 3.25Å; A132-I134 PolarHBondContact O-N 3.44Å; A132-Q207 PolarHBondContact O-NE2 3.02Å; A132-Q237 HydrophobicContact CB-CB 3.87Å; A132-V281 HydrophobicContact CB-CG1 3.96Å; A132-V281 HydrophobicContact CB-CG2 4.03Å
133	P	96.6	Very high	95.6	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	-68.1	-23.5	179.3	24.5	-34.8	0	0	0	113.1	R129 A199 I208 V234 P235	R129-P133 HydrophobicContact CG-CB 4.48Å; R129-P133 WeakPolarHBondContact O-CA 3.32Å; R129-P133 WeakPolarHBondContact O-CD 3.48Å; P133-A199 HydrophobicContact CB-CB 4.14Å; P133-A199 HydrophobicContact CG-CB 4.17Å; P133-I208 PolarHBondContact O-N 3.41Å; P133-V234 HydrophobicContact CG-CB 4Å; P133-V234 HydrophobicContact CG-CG2 3.76Å; P133-P235 WeakPolarHBondContact CD-O 3.18Å
134	I	97.4	Very high	95.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.9	-176.9	-56.2	174	0	0	0	109.8	A132 V136 L195 A199 I208 I210 A232 V234 V236 Q237	A132-I134 PolarHBondContact O-N 3.44Å; I134-V136 HydrophobicContact CG2-CG1 4.14Å; I134-L195 HydrophobicContact CD1-CD1 4.06Å; I134-L195 HydrophobicContact CD1-CD2 4.23Å; I134-L195 HydrophobicContact CD1-CG 4.17Å; I134-A199 HydrophobicContact CD1-CB 4.27Å; I134-A199 HydrophobicContact CG1-CB 4.42Å; I134-I208 CarbonylContact C-O 3.55Å; I134-I208 WeakPolarHBondContact CA-O 3.21Å; I134-I208 HydrophobicContact CG1-CB 4.43Å; I134-I210 HydrophobicContact CG2-CD1 4.08Å; I134-I210 HydrophobicContact CG2-CG1 4.33Å; I134-A232 HydrophobicContact CD1-CB 4.42Å; I134-V234 HydrophobicContact CD1-CG2 3.71Å; I134-V234 HydrophobicContact CG1-CG2 4.24Å; I134-V236 HydrophobicContact CB-CG1 4.07Å; I134-V236 HydrophobicContact CG2-CG1 4.3Å; I134-V236 CarbonylContact O-C 3.52Å; I134-V236 VanDerWaalsContact O-CA 3.27Å; I134-V236 WeakPolarHBondContact O-CA 3.22Å; I134-Q237 PolarHBondContact O-N 3.5Å
135	M	97.6	Very high	95.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.7	167.3	-71.5	-175.5	-71.5	0	0	109.4	R126 L152 P155 Q207 I208 V209 I210 Q237 V239 F278	R126-M135 HydrophobicContact CG-SD 4.13Å; M135-L152 HydrophobicContact CE-CD1 3.95Å; M135-L152 HydrophobicContact SD-CD1 4.37Å; M135-P155 HydrophobicContact CE-CB 4.48Å; M135-Q207 HydrophobicContact CE-CB 4.12Å; M135-I208 PolarHBondContact N-O 3.23Å; M135-V209 HydrophobicContact CB-CG2 4.19Å; M135-V209 HydrophobicContact CE-CG2 3.67Å; M135-V209 WeakPolarHBondContact O-CA 3.24Å; M135-I210 PolarHBondContact O-N 3.03Å; M135-Q237 VanDerWaalsContact CA-O 3.29Å; M135-Q237 WeakPolarHBondContact CA-O 3.23Å; M135-Q237 HydrophobicContact CG-CB 4.23Å; M135-V239 HydrophobicContact CB-CG2 4.2Å; M135-V239 HydrophobicContact CG-CG2 4.34Å; M135-V239 HydrophobicContact SD-CG2 4.27Å; M135-F278 HydrophobicContact SD-CE1 4.11Å
136	V	97.6	Very high	95.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.4	178.1	-65.8	0	0	0	0	109.3	I134 I210 P212 F230 V236 Q237 P238 V239 I299 M303	I134-V136 HydrophobicContact CG2-CG1 4.14Å; V136-I210 WeakPolarHBondContact CA-O 3.39Å; V136-P212 HydrophobicContact CB-CG 4.35Å; V136-F230 HydrophobicContact CG1-CE1 4.09Å; V136-F230 HydrophobicContact CG1-CZ 4.03Å; V136-V236 HydrophobicContact CG1-CB 4.35Å; V136-V236 HydrophobicContact CG2-CB 4.43Å; V136-V236 HydrophobicContact CG2-CG2 4.04Å; V136-Q237 PolarHBondContact N-O 3.37Å; V136-P238 HydrophobicContact CG2-CB 4.09Å; V136-P238 HydrophobicContact CG2-CG 4.3Å; V136-P238 CarbonylContact O-C 3.59Å; V136-P238 WeakPolarHBondContact O-CA 3.4Å; V136-V239 PolarHBondContact O-N 3.38Å; V136-I299 HydrophobicContact CG2-CG2 3.85Å; V136-M303 HydrophobicContact CG2-SD 4.41Å
137	I	97.6	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.9	-171.2	-47.5	-167.2	0	0	0	110.3	I148 L152 V209 I210 F211 P212 V239 V241	I137-I148 HydrophobicContact CD1-CG2 3.76Å; I137-I148 HydrophobicContact CG2-CD1 4.43Å; I137-L152 HydrophobicContact CD1-CD1 3.9Å; I137-V209 HydrophobicContact CD1-CB 4.4Å; I137-V209 HydrophobicContact CD1-CG1 3.37Å; I137-V209 HydrophobicContact CD1-CG2 4.15Å; I137-V209 HydrophobicContact CG1-CG1 3.88Å; I137-I210 PolarHBondContact N-O 3.45Å; I137-F211 HydrophobicContact CB-CD1 3.9Å; I137-F211 HydrophobicContact CB-CE1 3.63Å; I137-F211 HydrophobicContact CB-CZ 4Å; I137-F211 HydrophobicContact CD1-CZ 4.24Å; I137-F211 HydrophobicContact CG2-CD1 4.14Å; I137-F211 HydrophobicContact CG2-CE1 3.46Å; I137-F211 VanDerWaalsContact CG2-CE1 3.46Å; I137-F211 HydrophobicContact CG2-CZ 3.94Å; I137-F211 VanDerWaalsContact O-CD1 3.27Å; I137-F211 WeakPolarHBondContact O-CD1 3.2Å; I137-P212 WeakPolarHBondContact O-CD 3.48Å; I137-V239 WeakPolarHBondContact CA-O 3.22Å; I137-V239 HydrophobicContact CG1-CB 4.12Å; I137-V241 HydrophobicContact CG2-CG2 3.41Å; I137-V241 VanDerWaalsContact CG2-CG2 3.41Å
138	A	97	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.2	175.1	0	0	0	0	0	111.1	I222 F225 V239 I240 V241 M303	A138-I222 HydrophobicContact CB-CD1 4.28Å; A138-F225 HydrophobicContact CB-CE1 4.13Å; A138-F225 HydrophobicContact CB-CZ 3.76Å; A138-V239 PolarHBondContact N-O 2.95Å; A138-V239 VanDerWaalsContact N-O 3.14Å; A138-I240 WeakPolarHBondContact O-CA 3.46Å; A138-V241 PolarHBondContact O-N 3.11Å; A138-V241 VanDerWaalsContact O-N 3.15Å; A138-M303 HydrophobicContact CB-CE 3.51Å; A138-M303 HydrophobicContact CB-SD 4.05Å
139	P	96	Very high	95	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.013	12%	0.124	C	C	.	.			cis	-76.9	150.3	-4.9	31.9	-33.9	0	0	0	112.8	S141 E213 R219 I222 V241	P139-S141 PolarHBondContact O-N 3.27Å; P139-S141 PolarHBondContact O-OG 2.72Å; P139-E213 VanDerWaalsContact CA-OE1 3.26Å; P139-E213 WeakPolarHBondContact CA-OE1 3.2Å; P139-R219 HydrophobicContact CB-CB 4.32Å; P139-R219 HydrophobicContact CB-CG 3.96Å; P139-R219 HydrophobicContact CG-CB 3.79Å; P139-R219 HydrophobicContact CG-CG 3.42Å; P139-R219 VanDerWaalsContact CG-CG 3.42Å; P139-I222 HydrophobicContact CB-CD1 3.98Å; P139-V241 WeakPolarHBondContact CD-O 3.31Å
140	H	94.2	Very high	95	Very high	39 Å²	39	24 Å²	24	18%	0.181	12%	0.119	C	C	.	.			trans	-80.2	110.1	172.1	-168.1	24.6	0	0	0	108.4	D145 F211 E213 T215 C216 T217	H140-D145 WeakPolarHBondContact CA-OD2 3.45Å; H140-D145 IonicContact CE1-OD2 2.62Å; H140-D145 IonicContact CG-OD2 2.71Å; H140-D145 IonicContact ND1-OD2 3.7Å; H140-D145 PolarHBondContact ND1-OD2 2.92Å; H140-F211 HydrophobicContact CB-CB 4.02Å; H140-F211 HydrophobicContact CB-CD1 3.58Å; H140-F211 HydrophobicContact CB-CE1 4.41Å; H140-F211 HydrophobicContact CB-CG 4.08Å; H140-F211 AromaticContact CG-CD1 3.58Å; H140-F211 AromaticContact CG-CG 3.75Å; H140-F211 AromaticContact ND1-CD1 3.41Å; H140-F211 WeakPolarHBondContact ND1-CD1 3.16Å; H140-F211 AromaticContact ND1-CE1 3.67Å; H140-F211 AromaticContact ND1-CG 3.67Å; H140-E213 PolarHBondContact N-OE2 2.84Å; H140-T215 WeakPolarHBondContact CB-O 3.15Å; H140-T215 PolarHBondContact CD2-O 3.46Å; H140-C216 CarbonylContact O-C 3.57Å; H140-C216 WeakPolarHBondContact O-CA 3.32Å; H140-T217 PolarHBondContact O-N 3.46Å
141	S	93.7	Very high	95	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.			trans	-101.1	-37.1	-164.7	-61.6	0	0	0	0	113.7	P139 D145 R219 W243 W252	P139-S141 PolarHBondContact O-N 3.27Å; P139-S141 PolarHBondContact O-OG 2.72Å; S141-D145 PolarHBondContact N-OD2 2.97Å; S141-R219 VanDerWaalsContact OG-CD 3.22Å; S141-R219 WeakPolarHBondContact OG-CD 3.38Å; S141-R219 WeakPolarHBondContact OG-CG 3.32Å; S141-W243 PolarHBondContact OG-NE1 3.19Å; S141-W252 PolarHBondContact O-N 2.96Å
142	S	92.1	Very high	95	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.067	C	C	.	.			trans	-176.4	-177.3	177.9	61.4	0	0	0	0	113	L144 D145 V250	S142-L144 PolarHBondContact O-N 3.24Å; S142-L144 VanDerWaalsContact O-N 3.11Å; S142-L144 WeakPolarHBondContact OG-CB 3.42Å; S142-L144 PolarHBondContact OG-N 3.27Å; S142-D145 PolarHBondContact N-OD2 2.89Å; S142-D145 VanDerWaalsContact O-CB 3.25Å; S142-D145 WeakPolarHBondContact O-CB 3.41Å; S142-D145 VanDerWaalsContact O-CG 3.26Å; S142-D145 PolarHBondContact O-N 2.87Å; S142-V250 WeakPolarHBondContact CB-O 3.35Å; S142-V250 WeakPolarHBondContact OG-CG1 3.37Å; S142-V250 PolarHBondContact OG-O 3.09Å
143	F	89.9	Confident	94.8	Very high	67 Å²	67	12.1 Å²	12.1	29%	0.294	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-55.7	-20.8	167.7	70.1	-90.8	0	0	0	114	D145 A146 W252 V259 L262 L263	F143-D145 PolarHBondContact O-N 3.23Å; F143-A146 WeakPolarHBondContact O-CB 3.37Å; F143-A146 PolarHBondContact O-N 3.35Å; F143-W252 HydrophobicContact CB-CE3 4.11Å; F143-W252 HydrophobicContact CB-CZ3 4.12Å; F143-W252 HydrophobicContact CD1-CB 4.38Å; F143-W252 HydrophobicContact CD1-CD2 4.05Å; F143-W252 AromaticContact CD1-CE3 3.91Å; F143-W252 HydrophobicContact CD1-CE3 3.91Å; F143-W252 HydrophobicContact CD1-CG 4.28Å; F143-V259 HydrophobicContact CE1-CG1 4.02Å; F143-V259 HydrophobicContact CE1-CG2 4.42Å; F143-V259 HydrophobicContact CZ-CG1 4.07Å; F143-L262 HydrophobicContact CE1-CD1 4.34Å; F143-L263 HydrophobicContact CE2-CD2 3.99Å; F143-L263 HydrophobicContact CZ-CD2 3.92Å; F143-L263 HydrophobicContact CZ-CG 4.2Å
144	L	93	Very high	94.6	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.042	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-73.5	-11.7	177.6	-64.7	168.2	0	0	0	112.9	F112 F117 S142 A146 L147 W243 V250 L266	F112-L144 HydrophobicContact CE1-CD2 4.13Å; F117-L144 HydrophobicContact CE2-CD2 4.38Å; F117-L144 HydrophobicContact CZ-CD1 4.26Å; S142-L144 PolarHBondContact O-N 3.24Å; S142-L144 VanDerWaalsContact O-N 3.11Å; S142-L144 WeakPolarHBondContact OG-CB 3.42Å; S142-L144 PolarHBondContact OG-N 3.27Å; L144-A146 PolarHBondContact O-N 3.04Å; L144-L147 WeakPolarHBondContact O-CB 3.37Å; L144-L147 PolarHBondContact O-N 2.79Å; L144-W243 HydrophobicContact CB-CH2 4.46Å; L144-V250 HydrophobicContact CB-CG1 4.36Å; L144-V250 HydrophobicContact CD1-CB 4.36Å; L144-V250 HydrophobicContact CD1-CG1 4.13Å; L144-V250 HydrophobicContact CD1-CG2 4.13Å; L144-L266 HydrophobicContact CD1-CD1 4.2Å; L144-L266 HydrophobicContact CD1-CD2 3.81Å; L144-L266 HydrophobicContact CD2-CD2 3.82Å; L144-L266 HydrophobicContact CG-CD2 4.49Å
145	D	93.5	Very high	94.4	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.016	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-60	-13.8	170.9	-69	-13.9	0	0	0	112.4	H140 S141 S142 F143 L147 I148 F211 W243	H140-D145 WeakPolarHBondContact CA-OD2 3.45Å; H140-D145 IonicContact CE1-OD2 2.62Å; H140-D145 IonicContact CG-OD2 2.71Å; H140-D145 IonicContact ND1-OD2 3.7Å; H140-D145 PolarHBondContact ND1-OD2 2.92Å; S141-D145 PolarHBondContact N-OD2 2.97Å; S142-D145 PolarHBondContact N-OD2 2.89Å; S142-D145 VanDerWaalsContact O-CB 3.25Å; S142-D145 WeakPolarHBondContact O-CB 3.41Å; S142-D145 VanDerWaalsContact O-CG 3.26Å; S142-D145 PolarHBondContact O-N 2.87Å; F143-D145 PolarHBondContact O-N 3.23Å; D145-L147 PolarHBondContact O-N 2.74Å; D145-I148 HydrophobicContact CB-CD1 3.8Å; D145-I148 VanDerWaalsContact O-CB 3.25Å; D145-I148 WeakPolarHBondContact O-CB 3.35Å; D145-I148 PolarHBondContact O-N 3.38Å; D145-F211 HydrophobicContact CB-CE1 4.08Å; D145-F211 HydrophobicContact CB-CE2 4.5Å; D145-F211 HydrophobicContact CB-CZ 3.73Å; D145-W243 WeakPolarHBondContact OD1-CZ2 3.29Å
146	A	92.5	Very high	94.3	Very high	47 Å²	47	12.5 Å²	12.5	39%	0.388	8%	0.079	S	C	.	.	H	α-helix	trans	-54.2	-28.8	165.2	0	0	0	0	0	113.3	F112 F143 L144 I148 V149 V150	F112-A146 HydrophobicContact CZ-CB 4.29Å; F143-A146 WeakPolarHBondContact O-CB 3.37Å; F143-A146 PolarHBondContact O-N 3.35Å; L144-A146 PolarHBondContact O-N 3.04Å; A146-I148 PolarHBondContact O-N 3.22Å; A146-V149 WeakPolarHBondContact O-CB 3.41Å; A146-V149 PolarHBondContact O-N 3.27Å; A146-V150 WeakPolarHBondContact O-CG2 3.43Å; A146-V150 PolarHBondContact O-N 2.84Å; A146-V150 VanDerWaalsContact O-N 3.1Å
147	L	94.8	Very high	94.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.9	-33.2	173.2	179.1	52.7	0	0	0	112	F112 F117 I120 L144 D145 V149 V150 A151 W243 L274	F112-L147 HydrophobicContact CB-CD1 3.74Å; F112-L147 HydrophobicContact CB-CD2 4.46Å; F112-L147 HydrophobicContact CD1-CB 3.98Å; F112-L147 HydrophobicContact CD1-CD1 4.11Å; F112-L147 HydrophobicContact CD1-CD2 4.06Å; F112-L147 HydrophobicContact CD1-CG 4.27Å; F112-L147 HydrophobicContact CD2-CB 4.27Å; F112-L147 HydrophobicContact CD2-CD1 3.67Å; F112-L147 HydrophobicContact CD2-CG 4.49Å; F112-L147 HydrophobicContact CE1-CB 3.75Å; F112-L147 HydrophobicContact CE2-CB 4.06Å; F112-L147 HydrophobicContact CE2-CD1 4.25Å; F112-L147 HydrophobicContact CG-CB 4.24Å; F112-L147 HydrophobicContact CG-CD1 3.59Å; F112-L147 HydrophobicContact CG-CD2 4.31Å; F112-L147 HydrophobicContact CG-CG 4.25Å; F112-L147 HydrophobicContact CZ-CB 3.79Å; F117-L147 HydrophobicContact CB-CD2 3.77Å; F117-L147 HydrophobicContact CD1-CD2 3.7Å; F117-L147 HydrophobicContact CD2-CD2 4.14Å; F117-L147 HydrophobicContact CE1-CD2 4.28Å; F117-L147 HydrophobicContact CG-CD2 3.61Å; I120-L147 HydrophobicContact CD1-CD1 3.87Å; I120-L147 HydrophobicContact CD1-CD2 4.42Å; I120-L147 HydrophobicContact CD1-CG 4.22Å; L144-L147 WeakPolarHBondContact O-CB 3.37Å; L144-L147 PolarHBondContact O-N 2.79Å; D145-L147 PolarHBondContact O-N 2.74Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V150 PolarHBondContact O-N 2.77Å; L147-A151 WeakPolarHBondContact O-CB 3.19Å; L147-A151 PolarHBondContact O-N 2.82Å; L147-W243 HydrophobicContact CD2-CH2 4.38Å; L147-W243 HydrophobicContact CD2-CZ3 4.5Å; L147-L274 HydrophobicContact CB-CD2 4.36Å; L147-L274 HydrophobicContact CD2-CD2 3.78Å; L147-L274 HydrophobicContact CG-CD2 3.73Å
148	I	96	Very high	93.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-43.8	176.7	-57.2	152.9	0	0	0	109.1	I137 D145 A146 V150 A151 L152 F211 V241 L274 I276	I137-I148 HydrophobicContact CD1-CG2 3.76Å; I137-I148 HydrophobicContact CG2-CD1 4.43Å; D145-I148 HydrophobicContact CB-CD1 3.8Å; D145-I148 VanDerWaalsContact O-CB 3.25Å; D145-I148 WeakPolarHBondContact O-CB 3.35Å; D145-I148 PolarHBondContact O-N 3.38Å; A146-I148 PolarHBondContact O-N 3.22Å; I148-V150 VanDerWaalsContact C-N 3.28Å; I148-V150 PolarHBondContact O-N 2.66Å; I148-A151 PolarHBondContact O-N 2.82Å; I148-A151 VanDerWaalsContact O-N 3.14Å; I148-L152 HydrophobicContact CG2-CD1 3.83Å; I148-L152 HydrophobicContact CG2-CG 4.15Å; I148-L152 WeakPolarHBondContact O-CB 3.19Å; I148-L152 WeakPolarHBondContact O-CG 3.02Å; I148-L152 PolarHBondContact O-N 3.15Å; I148-F211 HydrophobicContact CD1-CE1 4.48Å; I148-F211 HydrophobicContact CD1-CZ 4.25Å; I148-V241 HydrophobicContact CD1-CB 4.3Å; I148-V241 HydrophobicContact CD1-CG1 3.88Å; I148-V241 HydrophobicContact CD1-CG2 3.49Å; I148-V241 VanDerWaalsContact CD1-CG2 3.49Å; I148-V241 HydrophobicContact CG1-CG2 4.19Å; I148-L274 HydrophobicContact CG1-CD1 4.34Å; I148-L274 HydrophobicContact CG1-CD2 4.13Å; I148-I276 HydrophobicContact CG1-CD1 4.47Å; I148-I276 HydrophobicContact CG2-CD1 4.07Å
149	V	95	Very high	93	Very high	13 Å²	13	16.8 Å²	16.8	8%	0.079	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-42.5	175.1	-177.9	0	0	0	0	110.9	A146 L147 L152 G153 M154 P155 I157 L175	A146-V149 WeakPolarHBondContact O-CB 3.41Å; A146-V149 PolarHBondContact O-N 3.27Å; L147-V149 VanDerWaalsContact C-N 3.34Å; V149-L152 PolarHBondContact O-N 2.81Å; V149-G153 PolarHBondContact O-N 3.17Å; V149-M154 HydrophobicContact CG1-SD 4.48Å; V149-M154 PolarHBondContact O-N 2.94Å; V149-P155 HydrophobicContact CG1-CG 4.3Å; V149-P155 WeakPolarHBondContact O-CD 3.39Å; V149-I157 HydrophobicContact CG1-CG2 4.18Å; V149-I157 HydrophobicContact CG2-CG2 4.05Å; V149-L175 HydrophobicContact CG1-CD1 4.18Å; V149-L175 HydrophobicContact CG1-CD2 4.21Å
150	V	94.3	Very high	92.3	Very high	10 Å²	10	19.4 Å²	19.4	6%	0.061	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-44.2	175.6	175.9	0	0	0	0	111.8	R105 A108 R109 F112 A146 L147 I148 L152 G153 M154	R105-V150 HydrophobicContact CG-CG1 4.35Å; R105-V150 PolarHBondContact NE-O 3.45Å; A108-V150 HydrophobicContact CB-CG1 4.18Å; A108-V150 HydrophobicContact CB-CG2 3.75Å; R109-V150 HydrophobicContact CB-CG1 4.01Å; F112-V150 HydrophobicContact CE2-CG2 4.19Å; A146-V150 WeakPolarHBondContact O-CG2 3.43Å; A146-V150 PolarHBondContact O-N 2.84Å; A146-V150 VanDerWaalsContact O-N 3.1Å; L147-V150 PolarHBondContact O-N 2.77Å; I148-V150 VanDerWaalsContact C-N 3.28Å; I148-V150 PolarHBondContact O-N 2.66Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.34Å; V150-G153 PolarHBondContact O-N 2.95Å; V150-M154 HydrophobicContact CB-SD 4.5Å; V150-M154 HydrophobicContact CG2-SD 4Å
151	A	94.4	Very high	91.7	Very high	29 Å²	29	18.3 Å²	18.3	24%	0.24	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-41.5	178.5	0	0	0	0	0	111.4	R105 I120 L147 I148 G153 I276	R105-A151 PolarHBondContact NH2-O 2.97Å; R105-A151 VanDerWaalsContact NH2-O 3.16Å; I120-A151 HydrophobicContact CD1-CB 4.21Å; I120-A151 HydrophobicContact CG2-CB 4.46Å; L147-A151 WeakPolarHBondContact O-CB 3.19Å; L147-A151 PolarHBondContact O-N 2.82Å; I148-A151 PolarHBondContact O-N 2.82Å; I148-A151 VanDerWaalsContact O-N 3.14Å; A151-G153 PolarHBondContact O-N 2.81Å; A151-G153 VanDerWaalsContact O-N 3.16Å; A151-I276 HydrophobicContact CB-CD1 3.75Å
152	L	94.7	Very high	91	Very high	7 Å²	7	22.4 Å²	22.4	4%	0.037	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	5.5	174.1	-62.4	178.9	0	0	0	113.5	R126 M135 I137 I148 V149 V150 P155 V209 F278	R126-L152 PolarHBondContact NH1-O 3.02Å; M135-L152 HydrophobicContact CE-CD1 3.95Å; M135-L152 HydrophobicContact SD-CD1 4.37Å; I137-L152 HydrophobicContact CD1-CD1 3.9Å; I148-L152 HydrophobicContact CG2-CD1 3.83Å; I148-L152 HydrophobicContact CG2-CG 4.15Å; I148-L152 WeakPolarHBondContact O-CB 3.19Å; I148-L152 WeakPolarHBondContact O-CG 3.02Å; I148-L152 PolarHBondContact O-N 3.15Å; V149-L152 PolarHBondContact O-N 2.81Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.34Å; L152-P155 HydrophobicContact CB-CG 3.97Å; L152-P155 HydrophobicContact CD1-CG 4.42Å; L152-V209 HydrophobicContact CD1-CG2 3.92Å; L152-F278 HydrophobicContact CD2-CE1 3.62Å; L152-F278 HydrophobicContact CD2-CZ 3.32Å
153	G	92.7	Very high	90.5	Very high	22 Å²	22	24.1 Å²	24.1	23%	0.227	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	37.3	175.8	0	0	0	0	0	114.1	V149 V150 A151	V149-G153 PolarHBondContact O-N 3.17Å; V150-G153 PolarHBondContact O-N 2.95Å; A151-G153 PolarHBondContact O-N 2.81Å; A151-G153 VanDerWaalsContact O-N 3.16Å
154	M	92.3	Very high	90	Very high	12 Å²	12	21 Å²	21	6%	0.059	13%	0.132	C	C	.	.	S	Bend	trans	65.3	54	168.3	-54.9	-64.6	-83	0	0	113.8	L101 V104 R105 V149 V150 L175	L101-M154 HydrophobicContact CD1-CB 3.68Å; L101-M154 HydrophobicContact CD1-CG 4.15Å; L101-M154 HydrophobicContact CG-CB 4.47Å; V104-M154 HydrophobicContact CG1-CE 4.16Å; R105-M154 HydrophobicContact CB-CG 4.04Å; R105-M154 HydrophobicContact CG-CG 4.22Å; V149-M154 HydrophobicContact CG1-SD 4.48Å; V149-M154 PolarHBondContact O-N 2.94Å; V150-M154 HydrophobicContact CB-SD 4.5Å; V150-M154 HydrophobicContact CG2-SD 4Å; M154-L175 HydrophobicContact CB-CD2 3.55Å; M154-L175 HydrophobicContact CE-CD2 3.57Å; M154-L175 HydrophobicContact CE-CG 4.43Å; M154-L175 HydrophobicContact CG-CD2 4.31Å; M154-L175 HydrophobicContact SD-CD2 4.03Å
155	P	94.5	Very high	89.5	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.019	16%	0.157	C	C	.	.			trans	-65.1	169.7	173	30.2	-35.7	0	0	0	112.4	M135 V149 L152 Q207 V209	M135-P155 HydrophobicContact CE-CB 4.48Å; V149-P155 HydrophobicContact CG1-CG 4.3Å; V149-P155 WeakPolarHBondContact O-CD 3.39Å; L152-P155 HydrophobicContact CB-CG 3.97Å; L152-P155 HydrophobicContact CD1-CG 4.42Å; P155-Q207 WeakPolarHBondContact CB-O 3.4Å; P155-V209 HydrophobicContact CB-CG2 3.89Å; P155-V209 HydrophobicContact CG-CB 4.26Å; P155-V209 HydrophobicContact CG-CG2 3.43Å; P155-V209 VanDerWaalsContact CG-CG2 3.43Å
156	S	94.3	Very high	89.1	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	145.8	170.8	-179.6	0	0	0	0	110.7	L175 Q176 Q207 I208 V209	S156-L175 WeakPolarHBondContact CA-O 3.25Å; S156-Q176 WeakPolarHBondContact CB-O 3.41Å; S156-Q176 PolarHBondContact OG-O 3.11Å; S156-Q207 PolarHBondContact N-O 3.21Å; S156-I208 CarbonylContact O-C 3.41Å; S156-I208 WeakPolarHBondContact O-CA 3.5Å; S156-V209 PolarHBondContact O-N 2.62Å
157	I	93.1	Very high	88.6	Confident	25 Å²	25	33.1 Å²	33.1	13%	0.128	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.6	179.6	60.3	168.1	0	0	0	110	V149 F172 L175 P177 I178 V209	V149-I157 HydrophobicContact CG1-CG2 4.18Å; V149-I157 HydrophobicContact CG2-CG2 4.05Å; I157-F172 HydrophobicContact CD1-CD1 3.83Å; I157-F172 HydrophobicContact CD1-CE1 3.55Å; I157-F172 HydrophobicContact CD1-CZ 4.48Å; I157-L175 HydrophobicContact CD1-CD1 3.7Å; I157-L175 HydrophobicContact CG1-CD1 3.95Å; I157-L175 HydrophobicContact CG2-CD1 4.39Å; I157-P177 HydrophobicContact CG1-CB 4.15Å; I157-P177 CarbonylContact O-C 3.56Å; I157-P177 VanDerWaalsContact O-CA 3.24Å; I157-P177 WeakPolarHBondContact O-CA 3.4Å; I157-P177 WeakPolarHBondContact O-CB 3.22Å; I157-I178 PolarHBondContact O-N 3.2Å; I157-V209 HydrophobicContact CG2-CB 4.45Å
158	V	88.6	Confident	88.1	Confident	50 Å²	50	34.4 Å²	34.4	30%	0.303	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.7	166.4	-178.5	0	0	0	0	108.2	I178 V180 T191 I208 I210	V158-I178 WeakPolarHBondContact CA-O 3.42Å; V158-I178 HydrophobicContact CG2-CB 4.23Å; V158-V180 HydrophobicContact CG1-CG2 3.69Å; V158-T191 HydrophobicContact CG1-CG2 4.21Å; V158-I208 HydrophobicContact CG2-CG2 4.34Å; V158-I210 HydrophobicContact CG2-CD1 3.9Å; V158-I210 HydrophobicContact CG2-CG1 3.75Å
159	G	83.9	Confident	87.5	Confident	14 Å²	14	34.4 Å²	34.4	14%	0.144	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	166.9	-172	0	0	0	0	0	113.9	I178 L179 V180	G159-I178 PolarHBondContact N-O 3.29Å; G159-L179 WeakPolarHBondContact O-CA 3.25Å; G159-V180 PolarHBondContact O-N 3.45Å
160	K	81.6	Confident	87.1	Confident	57 Å²	57	33.8 Å²	33.8	25%	0.248	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	143.8	175.9	-70	-172.5	175.1	-168.3	0	110.8	E162 S163 V180 R182	K160-E162 VanDerWaalsContact C-N 3.3Å; K160-E162 PolarHBondContact O-N 2.92Å; K160-S163 WeakPolarHBondContact O-CB 3.5Å; K160-S163 PolarHBondContact O-N 3.11Å; K160-S163 VanDerWaalsContact O-N 3.12Å; K160-V180 WeakPolarHBondContact CA-O 3.45Å; K160-R182 VanDerWaalsContact CE-CZ 3.49Å
161	T	80.3	Confident	86.8	Confident	17 Å²	17	35 Å²	35	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-57.7	-43.7	174.5	-57.8	0	0	0	0	111.5	K86 S163 A164 E165 L179 V180	K86-T161 VanDerWaalsContact CE-CG2 3.49Å; T161-S163 PolarHBondContact O-N 2.78Å; T161-A164 PolarHBondContact O-N 3.35Å; T161-E165 PolarHBondContact O-N 3.46Å; T161-L179 HydrophobicContact CG2-CD1 4.36Å; T161-V180 PolarHBondContact N-O 2.74Å; T161-V180 VanDerWaalsContact OG1-C 3.32Å; T161-V180 PolarHBondContact OG1-O 3.29Å
162	E	80.2	Confident	86.5	Confident	86 Å²	86	35.6 Å²	35.6	40%	0.402	19%	0.189	S	C	.	.	H	α-helix	trans	-53.2	-37.6	175	-67	149.5	-132.5	0	0	112.9	K160 A164 E165 S166	K160-E162 VanDerWaalsContact C-N 3.3Å; K160-E162 PolarHBondContact O-N 2.92Å; E162-A164 VanDerWaalsContact C-N 3.3Å; E162-A164 PolarHBondContact O-N 3.06Å; E162-E165 CarbonylContact O-C 3.58Å; E162-E165 PolarHBondContact O-N 3.03Å; E162-E165 VanDerWaalsContact O-N 3.15Å; E162-S166 VanDerWaalsContact O-CB 3.29Å; E162-S166 WeakPolarHBondContact O-CB 3.38Å; E162-S166 PolarHBondContact O-N 3.48Å
163	S	81.1	Confident	86.1	Confident	35 Å²	35	37.3 Å²	37.3	25%	0.245	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-35.9	-179.8	-54.5	0	0	0	0	111.8	K160 T161 E165 S166	K160-S163 WeakPolarHBondContact O-CB 3.5Å; K160-S163 PolarHBondContact O-N 3.11Å; K160-S163 VanDerWaalsContact O-N 3.12Å; T161-S163 PolarHBondContact O-N 2.78Å; S163-E165 VanDerWaalsContact C-N 3.35Å; S163-S166 PolarHBondContact O-OG 3.35Å
164	A	79.8	Confident	85.9	Confident	3 Å²	3	36.3 Å²	36.3	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-76.1	-22.3	175.7	0	0	0	0	0	113.7	T161 E162 G169 F172 R173 L179	T161-A164 PolarHBondContact O-N 3.35Å; E162-A164 VanDerWaalsContact C-N 3.3Å; E162-A164 PolarHBondContact O-N 3.06Å; A164-G169 VanDerWaalsContact O-CA 3.23Å; A164-G169 WeakPolarHBondContact O-CA 3.15Å; A164-F172 HydrophobicContact CB-CB 4.15Å; A164-R173 PolarHBondContact O-NH1 3.36Å; A164-L179 HydrophobicContact CB-CD1 4.09Å; A164-L179 HydrophobicContact CB-CD2 3.71Å
165	E	82.3	Confident	85.9	Confident	123 Å²	123	36.2 Å²	36.2	58%	0.575	18%	0.184	S	C	*	.	H	α-helix	trans	-94.1	-12.4	177.4	-66.6	178.9	171.2	0	0	113	K86 T161 E162 S163	K86-E165 WeakPolarHBondContact CE-OE1 3.45Å; K86-E165 IonicContact NZ-OE1 2.72Å; K86-E165 PolarHBondContact NZ-OE1 2.85Å; T161-E165 PolarHBondContact O-N 3.46Å; E162-E165 CarbonylContact O-C 3.58Å; E162-E165 PolarHBondContact O-N 3.03Å; E162-E165 VanDerWaalsContact O-N 3.15Å; S163-E165 VanDerWaalsContact C-N 3.35Å
166	S	84.5	Confident	85.7	Confident	44 Å²	44	36.1 Å²	36.1	31%	0.308	18%	0.183	S	C	.	.	S	Bend	trans	-73.1	177.4	178.3	74.3	0	0	0	0	113.7	E162 S163 V168 G169	E162-S166 VanDerWaalsContact O-CB 3.29Å; E162-S166 WeakPolarHBondContact O-CB 3.38Å; E162-S166 PolarHBondContact O-N 3.48Å; S163-S166 PolarHBondContact O-OG 3.35Å; S166-V168 PolarHBondContact O-N 3.21Å; S166-V168 VanDerWaalsContact O-N 3.16Å; S166-V168 WeakPolarHBondContact OG-CG2 3.41Å; S166-V168 PolarHBondContact OG-N 3.37Å; S166-G169 WeakPolarHBondContact O-CA 3.34Å; S166-G169 PolarHBondContact O-N 3.45Å
167	F	81.2	Confident	85.6	Confident	144 Å²	144	36.1 Å²	36.1	63%	0.632	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.6	175.6	75.4	-85.9	0	0	0	113.8	F69 L73 N77 G169	F69-F167 HydrophobicContact CE1-CE2 4.08Å; F69-F167 HydrophobicContact CZ-CE2 4.07Å; L73-F167 HydrophobicContact CD1-CD2 3.96Å; L73-F167 HydrophobicContact CD1-CE2 4.03Å; N77-F167 PolarHBondContact ND2-O 3.22Å; F167-G169 VanDerWaalsContact C-N 3.29Å
168	V	84.4	Confident	85.5	Confident	27 Å²	27	35 Å²	35	16%	0.164	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.6	173.9	-57.5	0	0	0	0	113.4	F69 L73 S166 G170 F171 F172	F69-V168 HydrophobicContact CZ-CG1 3.89Å; L73-V168 HydrophobicContact CD2-CB 4.15Å; L73-V168 HydrophobicContact CD2-CG1 3.98Å; S166-V168 PolarHBondContact O-N 3.21Å; S166-V168 VanDerWaalsContact O-N 3.16Å; S166-V168 WeakPolarHBondContact OG-CG2 3.41Å; S166-V168 PolarHBondContact OG-N 3.37Å; V168-G170 PolarHBondContact O-N 2.54Å; V168-F171 HydrophobicContact CB-CD2 4.33Å; V168-F171 PolarHBondContact O-N 3.4Å; V168-F172 HydrophobicContact CG2-CD2 3.96Å; V168-F172 HydrophobicContact CG2-CE2 3.69Å
169	G	85.3	Confident	85.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.8	-27.5	-174.2	0	0	0	0	0	114.1	A164 S166 F167 F171 F172 R173	A164-G169 VanDerWaalsContact O-CA 3.23Å; A164-G169 WeakPolarHBondContact O-CA 3.15Å; S166-G169 WeakPolarHBondContact O-CA 3.34Å; S166-G169 PolarHBondContact O-N 3.45Å; F167-G169 VanDerWaalsContact C-N 3.29Å; G169-F171 VanDerWaalsContact C-N 3.33Å; G169-F171 PolarHBondContact O-N 3.22Å; G169-F172 PolarHBondContact O-N 2.78Å; G169-R173 VanDerWaalsContact C-NH1 3.32Å; G169-R173 WeakPolarHBondContact O-CG 3.32Å; G169-R173 PolarHBondContact O-N 3.12Å; G169-R173 PolarHBondContact O-NH1 3.09Å
170	G	86.3	Confident	85.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.1	-44.5	173.2	0	0	0	0	0	113.1	S76 N77 T80 V168 R173 L174	S76-G170 PolarHBondContact OG-O 3.31Å; N77-G170 VanDerWaalsContact OD1-CA 3.3Å; N77-G170 WeakPolarHBondContact OD1-CA 3.47Å; N77-G170 PolarHBondContact OD1-N 2.89Å; N77-G170 VanDerWaalsContact OD1-N 3.08Å; T80-G170 WeakPolarHBondContact OG1-CA 3.37Å; V168-G170 PolarHBondContact O-N 2.54Å; G170-R173 VanDerWaalsContact CA-NH2 3.34Å; G170-L174 PolarHBondContact O-N 3.41Å
171	F	88.2	Confident	85.5	Confident	35 Å²	35	34.6 Å²	34.6	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-45	177.5	-62.4	-42.8	0	0	0	111	F69 S72 L73 S76 V104 V168 G169 R173 L174 L175	F69-F171 HydrophobicContact CD2-CE2 4.16Å; F69-F171 AromaticContact CE2-CE2 3.79Å; F69-F171 HydrophobicContact CE2-CE2 3.79Å; S72-F171 WeakPolarHBondContact O-CE1 2.92Å; L73-F171 HydrophobicContact CB-CZ 4.31Å; L73-F171 HydrophobicContact CD2-CD2 3.68Å; L73-F171 HydrophobicContact CD2-CE2 3.16Å; L73-F171 HydrophobicContact CD2-CZ 3.68Å; L73-F171 HydrophobicContact CG-CE2 3.59Å; L73-F171 HydrophobicContact CG-CZ 3.77Å; S76-F171 PolarHBondContact OG-N 2.78Å; V104-F171 HydrophobicContact CG1-CD1 3.72Å; V104-F171 HydrophobicContact CG1-CE1 3.85Å; V168-F171 HydrophobicContact CB-CD2 4.33Å; V168-F171 PolarHBondContact O-N 3.4Å; G169-F171 VanDerWaalsContact C-N 3.33Å; G169-F171 PolarHBondContact O-N 3.22Å; F171-R173 PolarHBondContact O-N 3.05Å; F171-L174 WeakPolarHBondContact O-CB 3.44Å; F171-L174 PolarHBondContact O-N 3Å; F171-L175 WeakPolarHBondContact O-CG 3.13Å; F171-L175 PolarHBondContact O-N 3.44Å
172	F	86.5	Confident	85.2	Confident	42 Å²	42	39.6 Å²	39.6	18%	0.184	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-48.4	179.2	-81.6	-93.5	0	0	0	111.3	I157 A164 V168 G169 L174 L175 P177	I157-F172 HydrophobicContact CD1-CD1 3.83Å; I157-F172 HydrophobicContact CD1-CE1 3.55Å; I157-F172 HydrophobicContact CD1-CZ 4.48Å; A164-F172 HydrophobicContact CB-CB 4.15Å; V168-F172 HydrophobicContact CG2-CD2 3.96Å; V168-F172 HydrophobicContact CG2-CE2 3.69Å; G169-F172 PolarHBondContact O-N 2.78Å; F172-L174 PolarHBondContact O-N 3.06Å; F172-L175 WeakPolarHBondContact O-CB 3.38Å; F172-L175 PolarHBondContact O-N 3.07Å; F172-P177 WeakPolarHBondContact O-CD 3.49Å
173	R	87.3	Confident	84.9	Confident	43 Å²	43	42.7 Å²	42.7	16%	0.162	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-35.8	179.3	-73.9	-174.4	-64.6	-89.3	6.5	113.2	N77 T80 Y83 A164 G169 G170 F171 L175 Q176	N77-R173 PolarHBondContact OD1-NH2 3.11Å; N77-R173 VanDerWaalsContact OD1-NH2 3.13Å; T80-R173 HydrophobicContact CG2-CB 4.42Å; T80-R173 PolarHBondContact OG1-NE 3.2Å; T80-R173 PolarHBondContact OG1-NH2 3.25Å; Y83-R173 WeakPolarHBondContact O-CD 3.3Å; A164-R173 PolarHBondContact O-NH1 3.36Å; G169-R173 VanDerWaalsContact C-NH1 3.32Å; G169-R173 WeakPolarHBondContact O-CG 3.32Å; G169-R173 PolarHBondContact O-N 3.12Å; G169-R173 PolarHBondContact O-NH1 3.09Å; G170-R173 VanDerWaalsContact CA-NH2 3.34Å; F171-R173 PolarHBondContact O-N 3.05Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.13Å; R173-Q176 PolarHBondContact O-N 3.17Å
174	L	88.7	Confident	84.6	Confident	1 Å²	1	43 Å²	43	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-31.4	178.7	-172.4	66.7	0	0	0	112.8	T80 R97 I100 L101 V104 G170 F171 F172 Q176	T80-L174 HydrophobicContact CG2-CB 4.4Å; R97-L174 HydrophobicContact CG-CD1 3.93Å; I100-L174 HydrophobicContact CG2-CD1 4.49Å; I100-L174 HydrophobicContact CG2-CD2 4.32Å; L101-L174 HydrophobicContact CB-CD1 4.45Å; L101-L174 HydrophobicContact CD1-CD1 4.19Å; L101-L174 HydrophobicContact CD1-CD2 3.8Å; L101-L174 HydrophobicContact CD1-CG 3.66Å; V104-L174 HydrophobicContact CB-CD2 3.85Å; V104-L174 HydrophobicContact CG1-CD2 3.97Å; V104-L174 HydrophobicContact CG2-CD2 3.96Å; G170-L174 PolarHBondContact O-N 3.41Å; F171-L174 WeakPolarHBondContact O-CB 3.44Å; F171-L174 PolarHBondContact O-N 3Å; F172-L174 PolarHBondContact O-N 3.06Å; L174-Q176 VanDerWaalsContact C-N 3.25Å; L174-Q176 PolarHBondContact O-N 3.08Å
175	L	91.3	Very high	84.1	Confident	11 Å²	11	47.3 Å²	47.3	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-74.2	-12.3	175.6	-59.9	-179.4	0	0	0	113.2	V149 M154 S156 I157 F171 F172 R173	V149-L175 HydrophobicContact CG1-CD1 4.18Å; V149-L175 HydrophobicContact CG1-CD2 4.21Å; M154-L175 HydrophobicContact CB-CD2 3.55Å; M154-L175 HydrophobicContact CE-CD2 3.57Å; M154-L175 HydrophobicContact CE-CG 4.43Å; M154-L175 HydrophobicContact CG-CD2 4.31Å; M154-L175 HydrophobicContact SD-CD2 4.03Å; S156-L175 WeakPolarHBondContact CA-O 3.25Å; I157-L175 HydrophobicContact CD1-CD1 3.7Å; I157-L175 HydrophobicContact CG1-CD1 3.95Å; I157-L175 HydrophobicContact CG2-CD1 4.39Å; F171-L175 WeakPolarHBondContact O-CG 3.13Å; F171-L175 PolarHBondContact O-N 3.44Å; F172-L175 WeakPolarHBondContact O-CB 3.38Å; F172-L175 PolarHBondContact O-N 3.07Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.13Å
176	Q	91.8	Very high	84.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.			trans	53.7	63.9	-172.1	-60.3	176.9	-4.1	0	0	111.6	Q88 I92 S156 R173 L174 R198 P206	Q88-Q176 VanDerWaalsContact OE1-CA 3.3Å; I92-Q176 HydrophobicContact CD1-CG 4.14Å; I92-Q176 HydrophobicContact CG1-CG 4.43Å; I92-Q176 PolarHBondContact O-NE2 3.45Å; S156-Q176 WeakPolarHBondContact CB-O 3.41Å; S156-Q176 PolarHBondContact OG-O 3.11Å; R173-Q176 PolarHBondContact O-N 3.17Å; L174-Q176 VanDerWaalsContact C-N 3.25Å; L174-Q176 PolarHBondContact O-N 3.08Å; Q176-R198 PolarHBondContact O-NH1 3.07Å; Q176-P206 HydrophobicContact CB-CG 4.34Å
177	P	91.7	Very high	84	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	22%	0.215	C	C	.	.			trans	-74.4	155.1	-169.6	33.1	-29.7	0	0	0	110.5	I157 F172 L179	I157-P177 HydrophobicContact CG1-CB 4.15Å; I157-P177 CarbonylContact O-C 3.56Å; I157-P177 VanDerWaalsContact O-CA 3.24Å; I157-P177 WeakPolarHBondContact O-CA 3.4Å; I157-P177 WeakPolarHBondContact O-CB 3.22Å; F172-P177 WeakPolarHBondContact O-CD 3.49Å; P177-L179 HydrophobicContact CB-CD2 3.99Å; P177-L179 HydrophobicContact CG-CD2 3.67Å; P177-L179 HydrophobicContact CG-CG 4.28Å
178	I	91.2	Very high	83.9	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.6	162.4	-57.1	176.1	0	0	0	106.2	I157 V158 G159 T191 E194 L195 I208	I157-I178 PolarHBondContact O-N 3.2Å; V158-I178 WeakPolarHBondContact CA-O 3.42Å; V158-I178 HydrophobicContact CG2-CB 4.23Å; G159-I178 PolarHBondContact N-O 3.29Å; I178-T191 HydrophobicContact CG2-CG2 3.76Å; I178-E194 HydrophobicContact CG1-CG 4.4Å; I178-E194 HydrophobicContact CG2-CB 4.26Å; I178-E194 HydrophobicContact CG2-CG 4.09Å; I178-L195 HydrophobicContact CD1-CB 4.15Å; I178-L195 HydrophobicContact CD1-CD1 3.72Å; I178-I208 HydrophobicContact CD1-CD1 4.27Å; I178-I208 HydrophobicContact CD1-CG1 4.38Å; I178-I208 HydrophobicContact CD1-CG2 4.27Å
179	L	87.7	Confident	84.1	Confident	27 Å²	27	47.7 Å²	47.7	14%	0.141	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.2	-172.5	-62.4	-178	0	0	0	112.1	S85 K86 G159 T161 A164 P177	S85-L179 WeakPolarHBondContact OG-CD1 3.43Å; K86-L179 HydrophobicContact CG-CD1 4.08Å; G159-L179 WeakPolarHBondContact O-CA 3.25Å; T161-L179 HydrophobicContact CG2-CD1 4.36Å; A164-L179 HydrophobicContact CB-CD1 4.09Å; A164-L179 HydrophobicContact CB-CD2 3.71Å; P177-L179 HydrophobicContact CB-CD2 3.99Å; P177-L179 HydrophobicContact CG-CD2 3.67Å; P177-L179 HydrophobicContact CG-CG 4.28Å
180	V	84.9	Confident	84.2	Confident	34 Å²	34	53 Å²	53	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.3	172.6	-169.4	0	0	0	0	108.8	V158 G159 K160 T161 T191	V158-V180 HydrophobicContact CG1-CG2 3.69Å; G159-V180 PolarHBondContact O-N 3.45Å; K160-V180 WeakPolarHBondContact CA-O 3.45Å; T161-V180 PolarHBondContact N-O 2.74Å; T161-V180 VanDerWaalsContact OG1-C 3.32Å; T161-V180 PolarHBondContact OG1-O 3.29Å; V180-T191 HydrophobicContact CG2-CG2 3.64Å
181	N	81.8	Confident	84.4	Confident	51 Å²	51	53.8 Å²	53.8	27%	0.273	25%	0.253	S	S	.	.			trans	-105.4	114.9	166	-177	-3.8	0	0	0	107.8	E183 D184 S187	N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact O-N 2.95Å; N181-E183 WeakPolarHBondContact OD1-CB 3.46Å; N181-E183 PolarHBondContact OD1-N 2.83Å; N181-D184 HydrophobicContact CB-CB 4.39Å; N181-S187 PolarHBondContact N-OG 3.25Å; N181-S187 WeakPolarHBondContact O-CB 3.43Å; N181-S187 PolarHBondContact O-OG 3.03Å
182	R	73.6	Confident	84.5	Confident	122 Å²	122	53.7 Å²	53.7	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-21.1	-177.6	-65.8	-177.5	179.2	-171.5	-2.3	112.7	K160	K160-R182 VanDerWaalsContact CE-CZ 3.49Å
183	E	73	Confident	84.8	Confident	151 Å²	151	57.9 Å²	57.9	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-21.6	-179.9	-56.4	178.2	158.6	0	0	113.1	N181 P185	N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact O-N 2.95Å; N181-E183 WeakPolarHBondContact OD1-CB 3.46Å; N181-E183 PolarHBondContact OD1-N 2.83Å; E183-P185 WeakPolarHBondContact O-CD 3.49Å
184	D	75.9	Confident	85	Confident	43 Å²	43	58 Å²	58	23%	0.23	28%	0.277	C	S	.	.			trans	-92.4	113	176.5	171.9	15.6	0	0	0	109.7	N181 N186 S187 K190	N181-D184 HydrophobicContact CB-CB 4.39Å; D184-N186 PolarHBondContact O-N 3.16Å; D184-N186 VanDerWaalsContact O-N 3.08Å; D184-N186 WeakPolarHBondContact OD1-CB 3.31Å; D184-N186 PolarHBondContact OD1-N 3.4Å; D184-S187 WeakPolarHBondContact O-CB 3.32Å; D184-S187 PolarHBondContact O-N 3.03Å; D184-K190 IonicContact OD2-NZ 2.78Å; D184-K190 PolarHBondContact OD2-NZ 2.95Å
185	P	69.2	Low	85.2	Confident	93 Å²	93	58.2 Å²	58.2	60%	0.604	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-30	177.8	-24.3	33.7	0	0	0	113	E183	E183-P185 WeakPolarHBondContact O-CD 3.49Å
186	N	82.6	Confident	85.3	Confident	87 Å²	87	60.2 Å²	60.2	47%	0.465	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-11	178.9	-63	-60.8	0	0	0	113.3	D184 R188 K189 K190	D184-N186 PolarHBondContact O-N 3.16Å; D184-N186 VanDerWaalsContact O-N 3.08Å; D184-N186 WeakPolarHBondContact OD1-CB 3.31Å; D184-N186 PolarHBondContact OD1-N 3.4Å; N186-R188 VanDerWaalsContact C-N 3.3Å; N186-R188 PolarHBondContact O-N 3.42Å; N186-K189 PolarHBondContact O-N 3.17Å; N186-K189 VanDerWaalsContact O-N 3.17Å; N186-K190 WeakPolarHBondContact O-CG 3.4Å; N186-K190 PolarHBondContact O-N 3.13Å
187	S	81.5	Confident	85.4	Confident	8 Å²	8	64.2 Å²	64.2	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-36.2	-175.5	-176.5	0	0	0	0	112.5	N181 D184 K189 K190 T191	N181-S187 PolarHBondContact N-OG 3.25Å; N181-S187 WeakPolarHBondContact O-CB 3.43Å; N181-S187 PolarHBondContact O-OG 3.03Å; D184-S187 WeakPolarHBondContact O-CB 3.32Å; D184-S187 PolarHBondContact O-N 3.03Å; S187-K189 VanDerWaalsContact C-N 3.32Å; S187-K189 PolarHBondContact O-N 3.32Å; S187-K190 PolarHBondContact O-N 3.46Å; S187-T191 WeakPolarHBondContact O-CB 3.45Å; S187-T191 PolarHBondContact O-N 3.44Å; S187-T191 PolarHBondContact O-OG1 2.81Å
188	R	80.1	Confident	85.5	Confident	139 Å²	139	64.6 Å²	64.6	53%	0.525	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-44.3	176.1	-167.7	-179.9	-66	178	-0	111	N186 T191 I192 C600	N186-R188 VanDerWaalsContact C-N 3.3Å; N186-R188 PolarHBondContact O-N 3.42Å; R188-T191 WeakPolarHBondContact O-CB 3.29Å; R188-T191 PolarHBondContact O-N 2.97Å; R188-I192 HydrophobicContact CG-CD1 4.29Å; R188-I192 WeakPolarHBondContact O-CD1 3.35Å; R188-I192 WeakPolarHBondContact O-CG1 3.27Å; R188-I192 PolarHBondContact O-N 3.16Å; R188-C600 PolarHBondContact NH2-O 2.79Å
189	K	86.9	Confident	85.7	Confident	111 Å²	111	65 Å²	65	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-45.5	176	-66.7	-179.5	-179.5	175	0	111.6	N186 S187 T191 I192 Q193	N186-K189 PolarHBondContact O-N 3.17Å; N186-K189 VanDerWaalsContact O-N 3.17Å; S187-K189 VanDerWaalsContact C-N 3.32Å; S187-K189 PolarHBondContact O-N 3.32Å; K189-T191 VanDerWaalsContact C-N 3.33Å; K189-T191 PolarHBondContact O-N 2.85Å; K189-I192 PolarHBondContact O-N 3.45Å; K189-Q193 WeakPolarHBondContact O-CG 2.96Å; K189-Q193 PolarHBondContact O-N 3.33Å
190	K	88.7	Confident	86	Confident	111 Å²	111	70 Å²	70	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-41.4	176	-67.2	170.8	-172.8	163.6	0	112.1	D184 N186 S187 Q193 E194	D184-K190 IonicContact OD2-NZ 2.78Å; D184-K190 PolarHBondContact OD2-NZ 2.95Å; N186-K190 WeakPolarHBondContact O-CG 3.4Å; N186-K190 PolarHBondContact O-N 3.13Å; S187-K190 PolarHBondContact O-N 3.46Å; K190-Q193 PolarHBondContact O-N 2.96Å; K190-E194 WeakPolarHBondContact O-CB 3.3Å; K190-E194 PolarHBondContact O-N 3.05Å
191	T	89.8	Confident	86.3	Confident	18 Å²	18	69.5 Å²	69.5	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-46.5	176.9	-57.8	0	0	0	0	110.7	V158 I178 V180 S187 R188 K189 E194 L195	V158-T191 HydrophobicContact CG1-CG2 4.21Å; I178-T191 HydrophobicContact CG2-CG2 3.76Å; V180-T191 HydrophobicContact CG2-CG2 3.64Å; S187-T191 WeakPolarHBondContact O-CB 3.45Å; S187-T191 PolarHBondContact O-N 3.44Å; S187-T191 PolarHBondContact O-OG1 2.81Å; R188-T191 WeakPolarHBondContact O-CB 3.29Å; R188-T191 PolarHBondContact O-N 2.97Å; K189-T191 VanDerWaalsContact C-N 3.33Å; K189-T191 PolarHBondContact O-N 2.85Å; T191-E194 PolarHBondContact O-N 2.79Å; T191-L195 WeakPolarHBondContact O-CB 3.48Å; T191-L195 PolarHBondContact O-N 2.73Å
192	I	90.4	Very high	86.7	Confident	33 Å²	33	75.8 Å²	75.8	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-62.5	-45	177	-69	158	0	0	0	110.4	R188 K189 E194 L195 I196 N231	R188-I192 HydrophobicContact CG-CD1 4.29Å; R188-I192 WeakPolarHBondContact O-CD1 3.35Å; R188-I192 WeakPolarHBondContact O-CG1 3.27Å; R188-I192 PolarHBondContact O-N 3.16Å; K189-I192 PolarHBondContact O-N 3.45Å; I192-E194 VanDerWaalsContact C-N 3.35Å; I192-E194 PolarHBondContact O-N 3Å; I192-L195 WeakPolarHBondContact O-CB 3.36Å; I192-L195 PolarHBondContact O-N 2.93Å; I192-I196 HydrophobicContact CG2-CD1 3.77Å; I192-I196 HydrophobicContact CG2-CG1 4.4Å; I192-I196 VanDerWaalsContact O-CG1 3.22Å; I192-I196 WeakPolarHBondContact O-CG1 3.24Å; I192-I196 PolarHBondContact O-N 2.99Å; I192-N231 VanDerWaalsContact CD1-ND2 3.34Å; I192-N231 WeakPolarHBondContact CD1-ND2 2.95Å; I192-N231 HydrophobicContact CG2-CB 3.79Å
193	Q	92.4	Very high	87.4	Confident	130 Å²	130	74.1 Å²	74.1	61%	0.607	35%	0.352	S	S	*	.	H	α-helix	trans	-60.7	-43.5	177.3	-73.1	173.8	-13.7	0	0	112.1	K189 K190 I196 R197	K189-Q193 WeakPolarHBondContact O-CG 2.96Å; K189-Q193 PolarHBondContact O-N 3.33Å; K190-Q193 PolarHBondContact O-N 2.96Å; Q193-I196 PolarHBondContact O-N 2.97Å; Q193-R197 WeakPolarHBondContact O-CB 3.35Å; Q193-R197 PolarHBondContact O-N 3.17Å
194	E	91.8	Very high	88.1	Confident	46 Å²	46	72.9 Å²	72.9	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-67.5	-37.8	177.8	-178.2	60.8	-172.6	0	0	112	I178 K190 T191 I192 R197 R198	I178-E194 HydrophobicContact CG1-CG 4.4Å; I178-E194 HydrophobicContact CG2-CB 4.26Å; I178-E194 HydrophobicContact CG2-CG 4.09Å; K190-E194 WeakPolarHBondContact O-CB 3.3Å; K190-E194 PolarHBondContact O-N 3.05Å; T191-E194 PolarHBondContact O-N 2.79Å; I192-E194 VanDerWaalsContact C-N 3.35Å; I192-E194 PolarHBondContact O-N 3Å; E194-R197 PolarHBondContact O-N 3.35Å; E194-R197 IonicContact OE1-CZ 3.75Å; E194-R197 IonicContact OE1-NE 3.04Å; E194-R197 IonicContact OE1-NH2 2.72Å; E194-R197 PolarHBondContact OE1-NH2 2.99Å; E194-R197 IonicContact OE2-CZ 2.71Å; E194-R197 IonicContact OE2-NE 3.3Å; E194-R197 PolarHBondContact OE2-NE 3.13Å; E194-R197 IonicContact OE2-NH2 3.45Å; E194-R197 PolarHBondContact OE2-NH2 3.14Å; E194-R198 WeakPolarHBondContact O-CG 3.41Å; E194-R198 PolarHBondContact O-N 2.8Å; E194-R198 IonicContact OE1-CZ 3.86Å; E194-R198 VanDerWaalsContact OE1-CZ 3.3Å; E194-R198 IonicContact OE1-NE 3.5Å; E194-R198 PolarHBondContact OE1-NE 2.76Å; E194-R198 IonicContact OE1-NH2 3.75Å; E194-R198 PolarHBondContact OE1-NH2 2.77Å
195	L	93.5	Very high	88.9	Confident	5 Å²	5	71 Å²	71	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-50.7	172.2	-178.1	74.9	0	0	0	111	I134 I178 T191 I192 R197 R198 A199 I208 I210 G228	I134-L195 HydrophobicContact CD1-CD1 4.06Å; I134-L195 HydrophobicContact CD1-CD2 4.23Å; I134-L195 HydrophobicContact CD1-CG 4.17Å; I178-L195 HydrophobicContact CD1-CB 4.15Å; I178-L195 HydrophobicContact CD1-CD1 3.72Å; T191-L195 WeakPolarHBondContact O-CB 3.48Å; T191-L195 PolarHBondContact O-N 2.73Å; I192-L195 WeakPolarHBondContact O-CB 3.36Å; I192-L195 PolarHBondContact O-N 2.93Å; L195-R197 VanDerWaalsContact C-N 3.33Å; L195-R197 PolarHBondContact O-N 3.21Å; L195-R198 PolarHBondContact O-N 2.89Å; L195-A199 WeakPolarHBondContact O-CB 3.43Å; L195-A199 PolarHBondContact O-N 2.97Å; L195-I208 HydrophobicContact CD1-CD1 4.02Å; L195-I208 HydrophobicContact CD1-CG2 3.8Å; L195-I210 HydrophobicContact CD1-CD1 3.82Å; L195-I210 HydrophobicContact CD2-CD1 4.14Å; L195-G228 WeakPolarHBondContact CD2-O 3.47Å
196	I	93.5	Very high	90.1	Very high	52 Å²	52	67.7 Å²	67.7	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-58.7	-47.5	178	-67.9	168.2	0	0	0	110.2	I192 Q193 R198 A199 K200 A232	I192-I196 HydrophobicContact CG2-CD1 3.77Å; I192-I196 HydrophobicContact CG2-CG1 4.4Å; I192-I196 VanDerWaalsContact O-CG1 3.22Å; I192-I196 WeakPolarHBondContact O-CG1 3.24Å; I192-I196 PolarHBondContact O-N 2.99Å; Q193-I196 PolarHBondContact O-N 2.97Å; I196-R198 PolarHBondContact O-N 2.84Å; I196-A199 PolarHBondContact O-N 2.89Å; I196-K200 HydrophobicContact CG2-CD 4.06Å; I196-K200 WeakPolarHBondContact O-CB 3.49Å; I196-K200 PolarHBondContact O-N 3.45Å; I196-A232 HydrophobicContact CG1-CB 3.89Å
197	R	94.1	Very high	90.7	Very high	84 Å²	84	64.1 Å²	64.1	32%	0.317	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-49.2	179.7	-170.7	-170.7	71.9	84.9	-2.4	111.1	Q88 V89 Q193 E194 L195 S201	Q88-R197 PolarHBondContact O-NH2 3.34Å; V89-R197 PolarHBondContact O-NH1 2.92Å; Q193-R197 WeakPolarHBondContact O-CB 3.35Å; Q193-R197 PolarHBondContact O-N 3.17Å; E194-R197 PolarHBondContact O-N 3.35Å; E194-R197 IonicContact OE1-CZ 3.75Å; E194-R197 IonicContact OE1-NE 3.04Å; E194-R197 IonicContact OE1-NH2 2.72Å; E194-R197 PolarHBondContact OE1-NH2 2.99Å; E194-R197 IonicContact OE2-CZ 2.71Å; E194-R197 IonicContact OE2-NE 3.3Å; E194-R197 PolarHBondContact OE2-NE 3.13Å; E194-R197 IonicContact OE2-NH2 3.45Å; E194-R197 PolarHBondContact OE2-NH2 3.14Å; L195-R197 VanDerWaalsContact C-N 3.33Å; L195-R197 PolarHBondContact O-N 3.21Å; R197-S201 WeakPolarHBondContact O-CB 3.42Å; R197-S201 PolarHBondContact O-N 3.34Å; R197-S201 VanDerWaalsContact O-N 3.09Å
198	R	93.9	Very high	91.4	Very high	9 Å²	9	63.9 Å²	63.9	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-72	-35.8	-179.4	-69.1	-171.1	-168.6	-174.2	5.5	113.2	R129 Q176 E194 L195 I196 W205 I208	R129-R198 PolarHBondContact NH2-O 3.35Å; Q176-R198 PolarHBondContact O-NH1 3.07Å; E194-R198 WeakPolarHBondContact O-CG 3.41Å; E194-R198 PolarHBondContact O-N 2.8Å; E194-R198 IonicContact OE1-CZ 3.86Å; E194-R198 VanDerWaalsContact OE1-CZ 3.3Å; E194-R198 IonicContact OE1-NE 3.5Å; E194-R198 PolarHBondContact OE1-NE 2.76Å; E194-R198 IonicContact OE1-NH2 3.75Å; E194-R198 PolarHBondContact OE1-NH2 2.77Å; L195-R198 PolarHBondContact O-N 2.89Å; I196-R198 PolarHBondContact O-N 2.84Å; R198-W205 HydrophobicContact CB-CG 4.48Å; R198-W205 HydrophobicContact CG-CD2 4.11Å; R198-W205 HydrophobicContact CG-CE3 4.46Å; R198-W205 HydrophobicContact CG-CG 4.41Å; R198-W205 HydrophobicContact CG-CZ2 4.49Å; R198-I208 HydrophobicContact CB-CD1 3.99Å
199	A	93.9	Very high	92.2	Very high	11 Å²	11	57.4 Å²	57.4	9%	0.091	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-36	179.7	0	0	0	0	0	112.3	P133 I134 L195 I196 V234	P133-A199 HydrophobicContact CB-CB 4.14Å; P133-A199 HydrophobicContact CG-CB 4.17Å; I134-A199 HydrophobicContact CD1-CB 4.27Å; I134-A199 HydrophobicContact CG1-CB 4.42Å; L195-A199 WeakPolarHBondContact O-CB 3.43Å; L195-A199 PolarHBondContact O-N 2.97Å; I196-A199 PolarHBondContact O-N 2.89Å; A199-V234 HydrophobicContact CB-CG1 4.38Å; A199-V234 HydrophobicContact CB-CG2 4.13Å
200	K	93.7	Very high	92.6	Very high	131 Å²	131	53.1 Å²	53.1	57%	0.57	26%	0.255	S	S	*	.	S	Bend	trans	-95.2	2.6	179.2	-61	-174.2	179.1	-176.6	0	114	I196 A232 V234	I196-K200 HydrophobicContact CG2-CD 4.06Å; I196-K200 WeakPolarHBondContact O-CB 3.49Å; I196-K200 PolarHBondContact O-N 3.45Å; K200-A232 WeakPolarHBondContact CE-O 3.21Å; K200-A232 PolarHBondContact NZ-O 3.45Å; K200-V234 HydrophobicContact CG-CG1 3.97Å
201	S	92.6	Very high	92.9	Very high	24 Å²	24	49.7 Å²	49.7	17%	0.168	24%	0.24	C	C	.	.			trans	-78.7	135.5	-179.5	-179.9	0	0	0	0	111.3	R129 R197 E203	R129-S201 PolarHBondContact NH1-O 2.99Å; R129-S201 PolarHBondContact NH2-O 3.41Å; R197-S201 WeakPolarHBondContact O-CB 3.42Å; R197-S201 PolarHBondContact O-N 3.34Å; R197-S201 VanDerWaalsContact O-N 3.09Å; S201-E203 PolarHBondContact O-N 3.38Å; S201-E203 VanDerWaalsContact OG-CB 3.3Å; S201-E203 WeakPolarHBondContact OG-CB 3.26Å; S201-E203 WeakPolarHBondContact OG-CG 3.27Å; S201-E203 PolarHBondContact OG-N 2.89Å; S201-E203 VanDerWaalsContact OG-N 3.17Å
202	E	89.2	Confident	93.1	Very high	184 Å²	184	49 Å²	49	86%	0.86	24%	0.235	S	C	*	.	S	Bend	trans	-69.2	-14.2	170.1	-62.9	-56.5	142.3	0	0	113.4
203	E	89	Confident	93.1	Very high	87 Å²	87	47.6 Å²	47.6	41%	0.407	23%	0.229	S	C	.	.	S	Bend	trans	-68.5	150.4	177.1	-58.5	-75.9	-180	0	0	111.2	P91 R129 S201 W205	P91-E203 HydrophobicContact CG-CB 4.17Å; R129-E203 PolarHBondContact NH1-O 3.49Å; R129-E203 PolarHBondContact NH2-O 2.86Å; S201-E203 PolarHBondContact O-N 3.38Å; S201-E203 VanDerWaalsContact OG-CB 3.3Å; S201-E203 WeakPolarHBondContact OG-CB 3.26Å; S201-E203 WeakPolarHBondContact OG-CG 3.27Å; S201-E203 PolarHBondContact OG-N 2.89Å; S201-E203 VanDerWaalsContact OG-N 3.17Å; E203-W205 PolarHBondContact O-N 2.64Å
204	D	88.1	Confident	92.7	Very high	125 Å²	125	42.8 Å²	42.8	67%	0.668	21%	0.213	S	C	*	.			trans	-79.4	62	-177.3	-166.4	36.2	0	0	0	113
205	W	93	Very high	92.3	Very high	4 Å²	4	42 Å²	42	2%	0.015	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-67.7	148	171.3	-70.6	95.3	0	0	0	111.2	Q88 V89 K90 P91 R129 R198 E203	Q88-W205 HydrophobicContact CB-CH2 4Å; Q88-W205 HydrophobicContact CB-CZ3 4.33Å; Q88-W205 WeakPolarHBondContact O-CH2 3.27Å; V89-W205 WeakPolarHBondContact O-CZ2 3.35Å; K90-W205 VanDerWaalsContact CA-CZ2 3.47Å; K90-W205 WeakPolarHBondContact O-CH2 3.43Å; P91-W205 HydrophobicContact CB-CD2 3.99Å; P91-W205 HydrophobicContact CB-CE3 3.98Å; P91-W205 HydrophobicContact CB-CG 4.39Å; P91-W205 HydrophobicContact CB-CZ3 4.36Å; P91-W205 HydrophobicContact CG-CD2 4.41Å; R129-W205 WeakPolarHBondContact CD-O 3.41Å; R129-W205 PolarHBondContact NE-O 2.75Å; R198-W205 HydrophobicContact CB-CG 4.48Å; R198-W205 HydrophobicContact CG-CD2 4.11Å; R198-W205 HydrophobicContact CG-CE3 4.46Å; R198-W205 HydrophobicContact CG-CG 4.41Å; R198-W205 HydrophobicContact CG-CZ2 4.49Å; E203-W205 PolarHBondContact O-N 2.64Å
206	P	93.3	Very high	92.2	Very high	22 Å²	22	42.5 Å²	42.5	14%	0.143	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-58.2	145.8	165.3	26.7	-35.5	0	0	0	111.1	Q176	Q176-P206 HydrophobicContact CB-CG 4.34Å
207	Q	95.9	Very high	92	Very high	13 Å²	13	40 Å²	40	6%	0.061	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-52.9	147.7	168.3	-86.2	177.2	-39.6	0	0	110.6	A127 S128 R129 A132 M135 P155 S156	A127-Q207 PolarHBondContact O-NE2 3.09Å; S128-Q207 PolarHBondContact O-NE2 2.95Å; S128-Q207 VanDerWaalsContact O-NE2 3.17Å; R129-Q207 HydrophobicContact CB-CG 3.78Å; R129-Q207 HydrophobicContact CG-CG 4.17Å; A132-Q207 PolarHBondContact O-NE2 3.02Å; M135-Q207 HydrophobicContact CE-CB 4.12Å; P155-Q207 WeakPolarHBondContact CB-O 3.4Å; S156-Q207 PolarHBondContact N-O 3.21Å
208	I	96.5	Very high	91.9	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.6	-175.9	-61.2	146.8	0	0	0	108.9	P133 I134 M135 S156 V158 I178 L195 R198 I210	P133-I208 PolarHBondContact O-N 3.41Å; I134-I208 CarbonylContact C-O 3.55Å; I134-I208 WeakPolarHBondContact CA-O 3.21Å; I134-I208 HydrophobicContact CG1-CB 4.43Å; M135-I208 PolarHBondContact N-O 3.23Å; S156-I208 CarbonylContact O-C 3.41Å; S156-I208 WeakPolarHBondContact O-CA 3.5Å; V158-I208 HydrophobicContact CG2-CG2 4.34Å; I178-I208 HydrophobicContact CD1-CD1 4.27Å; I178-I208 HydrophobicContact CD1-CG1 4.38Å; I178-I208 HydrophobicContact CD1-CG2 4.27Å; L195-I208 HydrophobicContact CD1-CD1 4.02Å; L195-I208 HydrophobicContact CD1-CG2 3.8Å; R198-I208 HydrophobicContact CB-CD1 3.99Å; I208-I210 HydrophobicContact CG2-CD1 4.14Å; I208-I210 HydrophobicContact CG2-CG1 3.92Å
209	V	96.1	Very high	91.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.9	174.4	164.3	0	0	0	0	109.5	M135 I137 L152 P155 S156 I157 F211	M135-V209 HydrophobicContact CB-CG2 4.19Å; M135-V209 HydrophobicContact CE-CG2 3.67Å; M135-V209 WeakPolarHBondContact O-CA 3.24Å; I137-V209 HydrophobicContact CD1-CB 4.4Å; I137-V209 HydrophobicContact CD1-CG1 3.37Å; I137-V209 HydrophobicContact CD1-CG2 4.15Å; I137-V209 HydrophobicContact CG1-CG1 3.88Å; L152-V209 HydrophobicContact CD1-CG2 3.92Å; P155-V209 HydrophobicContact CB-CG2 3.89Å; P155-V209 HydrophobicContact CG-CB 4.26Å; P155-V209 HydrophobicContact CG-CG2 3.43Å; P155-V209 VanDerWaalsContact CG-CG2 3.43Å; S156-V209 PolarHBondContact O-N 2.62Å; I157-V209 HydrophobicContact CG2-CB 4.45Å; V209-F211 HydrophobicContact CG1-CE2 4.17Å
210	I	95.5	Very high	91.6	Very high	21 Å²	21	40 Å²	40	11%	0.108	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.8	176.5	-51.8	-178.7	0	0	0	109.6	I134 M135 V136 I137 V158 L195 I208 P212 A229	I134-I210 HydrophobicContact CG2-CD1 4.08Å; I134-I210 HydrophobicContact CG2-CG1 4.33Å; M135-I210 PolarHBondContact O-N 3.03Å; V136-I210 WeakPolarHBondContact CA-O 3.39Å; I137-I210 PolarHBondContact N-O 3.45Å; V158-I210 HydrophobicContact CG2-CD1 3.9Å; V158-I210 HydrophobicContact CG2-CG1 3.75Å; L195-I210 HydrophobicContact CD1-CD1 3.82Å; L195-I210 HydrophobicContact CD2-CD1 4.14Å; I208-I210 HydrophobicContact CG2-CD1 4.14Å; I208-I210 HydrophobicContact CG2-CG1 3.92Å; I210-P212 VanDerWaalsContact O-CD 3.27Å; I210-P212 WeakPolarHBondContact O-CD 3.45Å; I210-A229 HydrophobicContact CB-CB 4.29Å; I210-A229 HydrophobicContact CD1-CB 3.68Å; I210-A229 HydrophobicContact CG2-CB 3.95Å
211	F	94.7	Very high	91.5	Very high	38 Å²	38	33.9 Å²	33.9	17%	0.167	18%	0.18	C	C	.	.			trans	-95	97.6	165.1	-69.8	-89.3	0	0	0	108.2	I137 H140 D145 I148 V209 E213 G214	I137-F211 HydrophobicContact CB-CD1 3.9Å; I137-F211 HydrophobicContact CB-CE1 3.63Å; I137-F211 HydrophobicContact CB-CZ 4Å; I137-F211 HydrophobicContact CD1-CZ 4.24Å; I137-F211 HydrophobicContact CG2-CD1 4.14Å; I137-F211 HydrophobicContact CG2-CE1 3.46Å; I137-F211 VanDerWaalsContact CG2-CE1 3.46Å; I137-F211 HydrophobicContact CG2-CZ 3.94Å; I137-F211 VanDerWaalsContact O-CD1 3.27Å; I137-F211 WeakPolarHBondContact O-CD1 3.2Å; H140-F211 HydrophobicContact CB-CB 4.02Å; H140-F211 HydrophobicContact CB-CD1 3.58Å; H140-F211 HydrophobicContact CB-CE1 4.41Å; H140-F211 HydrophobicContact CB-CG 4.08Å; H140-F211 AromaticContact CG-CD1 3.58Å; H140-F211 AromaticContact CG-CG 3.75Å; H140-F211 AromaticContact ND1-CD1 3.41Å; H140-F211 WeakPolarHBondContact ND1-CD1 3.16Å; H140-F211 AromaticContact ND1-CE1 3.67Å; H140-F211 AromaticContact ND1-CG 3.67Å; D145-F211 HydrophobicContact CB-CE1 4.08Å; D145-F211 HydrophobicContact CB-CE2 4.5Å; D145-F211 HydrophobicContact CB-CZ 3.73Å; I148-F211 HydrophobicContact CD1-CE1 4.48Å; I148-F211 HydrophobicContact CD1-CZ 4.25Å; V209-F211 HydrophobicContact CG1-CE2 4.17Å; F211-E213 VanDerWaalsContact C-N 3.26Å; F211-E213 PolarHBondContact O-N 2.72Å; F211-G214 PolarHBondContact O-N 3.3Å
212	P	93.6	Very high	91.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.019	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.2	-169.4	29.3	-36.8	0	0	0	113.5	V136 I137 I210 G214 F225 K226 F230	V136-P212 HydrophobicContact CB-CG 4.35Å; I137-P212 WeakPolarHBondContact O-CD 3.48Å; I210-P212 VanDerWaalsContact O-CD 3.27Å; I210-P212 WeakPolarHBondContact O-CD 3.45Å; P212-G214 PolarHBondContact O-N 2.79Å; P212-F225 HydrophobicContact CB-CB 3.93Å; P212-F225 HydrophobicContact CB-CD1 4.01Å; P212-F225 HydrophobicContact CB-CD2 3.76Å; P212-F225 HydrophobicContact CB-CE1 4.47Å; P212-F225 HydrophobicContact CB-CE2 4.24Å; P212-F225 HydrophobicContact CB-CG 3.63Å; P212-F225 HydrophobicContact CG-CD1 3.76Å; P212-F225 HydrophobicContact CG-CD2 3.51Å; P212-F225 HydrophobicContact CG-CE1 3.72Å; P212-F225 HydrophobicContact CG-CE2 3.46Å; P212-F225 VanDerWaalsContact CG-CE2 3.46Å; P212-F225 HydrophobicContact CG-CG 3.67Å; P212-F225 HydrophobicContact CG-CZ 3.58Å; P212-K226 PolarHBondContact O-N 3.04Å; P212-F230 HydrophobicContact CB-CE2 3.91Å; P212-F230 HydrophobicContact CB-CZ 4.2Å
213	E	90	Very high	91.5	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.023	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.7	169.2	-67	179.6	-159.1	0	0	111.2	P139 H140 F211 T215 T217 A223 F225	P139-E213 VanDerWaalsContact CA-OE1 3.26Å; P139-E213 WeakPolarHBondContact CA-OE1 3.2Å; H140-E213 PolarHBondContact N-OE2 2.84Å; F211-E213 VanDerWaalsContact C-N 3.26Å; F211-E213 PolarHBondContact O-N 2.72Å; E213-T215 PolarHBondContact O-N 3.41Å; E213-T215 VanDerWaalsContact O-N 3.15Å; E213-T217 WeakPolarHBondContact OE2-CG2 3.42Å; E213-T217 PolarHBondContact OE2-OG1 2.71Å; E213-A223 HydrophobicContact CG-CB 4.34Å; E213-F225 HydrophobicContact CG-CD1 4.01Å; E213-F225 HydrophobicContact CG-CE1 3.72Å
214	G	84.9	Confident	91.4	Very high	28 Å²	28	22.4 Å²	22.4	29%	0.289	13%	0.129	S	C	.	.			trans	65.2	12.1	179.4	0	0	0	0	0	114.9	F211 P212 K226	F211-G214 PolarHBondContact O-N 3.3Å; P212-G214 PolarHBondContact O-N 2.79Å; G214-K226 PolarHBondContact O-NZ 3.38Å
215	T	84.1	Confident	91.6	Very high	31 Å²	31	16.5 Å²	16.5	19%	0.19	10%	0.097	C	C	.	.	S	Bend	trans	-152.5	163.1	173.1	-172.7	0	0	0	0	108.9	F36 H140 E213	F36-T215 HydrophobicContact CE1-CG2 3.67Å; F36-T215 HydrophobicContact CZ-CG2 4.48Å; H140-T215 WeakPolarHBondContact CB-O 3.15Å; H140-T215 PolarHBondContact CD2-O 3.46Å; E213-T215 PolarHBondContact O-N 3.41Å; E213-T215 VanDerWaalsContact O-N 3.15Å
216	C	90.4	Very high	91.3	Very high	15 Å²	15	21.3 Å²	21.3	10%	0.101	12%	0.118	C	C	.	.			trans	-89	141.3	177.1	-64.6	0	0	0	0	111.6	H140 W252	H140-C216 CarbonylContact O-C 3.57Å; H140-C216 WeakPolarHBondContact O-CA 3.32Å; C216-W252 WeakPolarHBondContact CB-O 3.32Å
217	T	90.4	Very high	91.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.			trans	-129	160.4	-177.7	64.2	0	0	0	0	112	P35 F36 H140 E213 R219 A223	P35-T217 HydrophobicContact CB-CG2 3.91Å; P35-T217 CarbonylContact O-C 3.55Å; P35-T217 VanDerWaalsContact O-CA 3.24Å; P35-T217 WeakPolarHBondContact O-CA 3.26Å; F36-T217 HydrophobicContact CE1-CG2 4.16Å; H140-T217 PolarHBondContact O-N 3.46Å; E213-T217 WeakPolarHBondContact OE2-CG2 3.42Å; E213-T217 PolarHBondContact OE2-OG1 2.71Å; T217-R219 PolarHBondContact O-N 3.21Å; T217-A223 HydrophobicContact CG2-CB 4.09Å
218	N	90.8	Very high	90.7	Very high	29 Å²	29	23.1 Å²	23.1	16%	0.155	14%	0.135	C	C	.	.			trans	-79.1	5.8	176.9	70.5	9	0	0	0	114	T34 P35 T37 S220 T251 V253	T34-N218 PolarHBondContact O-ND2 3.4Å; P35-N218 WeakPolarHBondContact CA-OD1 3.21Å; P35-N218 PolarHBondContact O-N 2.76Å; T37-N218 WeakPolarHBondContact O-CB 3.45Å; T37-N218 PolarHBondContact O-ND2 2.9Å; N218-S220 PolarHBondContact O-N 2.89Å; N218-S220 VanDerWaalsContact OD1-CB 3.26Å; N218-S220 WeakPolarHBondContact OD1-CB 3.2Å; N218-S220 PolarHBondContact OD1-N 3Å; N218-S220 PolarHBondContact OD1-OG 3.38Å; N218-T251 HydrophobicContact CB-CG2 3.72Å; N218-V253 HydrophobicContact CB-CG1 4.24Å
219	R	92.3	Very high	90.3	Very high	47 Å²	47	23.2 Å²	23.2	18%	0.177	14%	0.137	C	C	.	.	S	Bend	trans	65.6	10.7	178.7	-45.2	179.8	-77	-67.2	-6.8	115.9	P139 S141 T217 C221 D248 T251	P139-R219 HydrophobicContact CB-CB 4.32Å; P139-R219 HydrophobicContact CB-CG 3.96Å; P139-R219 HydrophobicContact CG-CB 3.79Å; P139-R219 HydrophobicContact CG-CG 3.42Å; P139-R219 VanDerWaalsContact CG-CG 3.42Å; S141-R219 VanDerWaalsContact OG-CD 3.22Å; S141-R219 WeakPolarHBondContact OG-CD 3.38Å; S141-R219 WeakPolarHBondContact OG-CG 3.32Å; T217-R219 PolarHBondContact O-N 3.21Å; R219-C221 VanDerWaalsContact C-N 3.26Å; R219-D248 IonicContact CZ-OD2 3.18Å; R219-D248 IonicContact NH2-OD1 2.77Å; R219-D248 PolarHBondContact NH2-OD1 3.45Å; R219-D248 VanDerWaalsContact NH2-OD1 3.11Å; R219-D248 IonicContact NH2-OD2 2.66Å; R219-D248 PolarHBondContact NH2-OD2 2.72Å; R219-T251 PolarHBondContact NH1-OG1 3Å; R219-T251 PolarHBondContact NH2-OG1 2.82Å
220	S	90.1	Very high	90.2	Very high	28 Å²	28	23.2 Å²	23.2	20%	0.196	14%	0.136	C	C	.	.	S	Bend	trans	-74.1	-20.7	176.4	63.9	0	0	0	0	113.2	F33 N218 P310	F33-S220 VanDerWaalsContact CD1-CB 3.45Å; N218-S220 PolarHBondContact O-N 2.89Å; N218-S220 VanDerWaalsContact OD1-CB 3.26Å; N218-S220 WeakPolarHBondContact OD1-CB 3.2Å; N218-S220 PolarHBondContact OD1-N 3Å; N218-S220 PolarHBondContact OD1-OG 3.38Å; S220-P310 WeakPolarHBondContact O-CD 3.39Å
221	C	90.9	Very high	90.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	15%	0.147	C	C	.	.	S	Bend	trans	-153.4	166.4	174.6	61.1	0	0	0	0	109.6	F33 R219 P310 C312	F33-C221 HydrophobicContact CB-CB 4.23Å; R219-C221 VanDerWaalsContact C-N 3.26Å; C221-P310 CarbonylContact C-O 3.25Å; C221-P310 WeakPolarHBondContact CA-O 3.48Å; C221-P310 HydrophobicContact CB-CG 4.05Å; C221-P310 WeakPolarHBondContact CB-O 3.44Å; C221-C312 HydrophobicContact CB-CB 4Å; C221-C312 WeakPolarHBondContact SG-CB 3.4Å
222	I	92.5	Very high	90	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114	171.3	-58.5	-65.4	0	0	0	109.8	A138 P139 F225 R300 A304 L307 V309 P310 L311 C312	A138-I222 HydrophobicContact CB-CD1 4.28Å; P139-I222 HydrophobicContact CB-CD1 3.98Å; I222-F225 HydrophobicContact CG2-CD1 4.24Å; I222-F225 HydrophobicContact CG2-CE1 3.38Å; I222-F225 HydrophobicContact CG2-CZ 3.83Å; I222-R300 HydrophobicContact CB-CG 4.36Å; I222-R300 HydrophobicContact CG2-CG 3.5Å; I222-R300 VanDerWaalsContact CG2-CG 3.5Å; I222-A304 HydrophobicContact CB-CB 4.41Å; I222-A304 HydrophobicContact CG1-CB 4.08Å; I222-L307 HydrophobicContact CD1-CD1 3.57Å; I222-L307 HydrophobicContact CG1-CD1 4.19Å; I222-V309 HydrophobicContact CD1-CG2 4.35Å; I222-V309 HydrophobicContact CG1-CG2 3.77Å; I222-P310 PolarHBondContact N-O 3.43Å; I222-L311 HydrophobicContact CB-CD2 4.4Å; I222-C312 PolarHBondContact O-N 3.43Å
223	A	88.7	Confident	90	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	160.7	176	0	0	0	0	0	111.7	E213 T217 F225 R300	E213-A223 HydrophobicContact CG-CB 4.34Å; T217-A223 HydrophobicContact CG2-CB 4.09Å; A223-F225 WeakPolarHBondContact O-CD1 3.42Å; A223-F225 PolarHBondContact O-N 3.23Å; A223-R300 VanDerWaalsContact O-CD 3.25Å; A223-R300 WeakPolarHBondContact O-CD 3.44Å
224	T	87.4	Confident	90.3	Very high	49 Å²	49	24.6 Å²	24.6	30%	0.301	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-53.8	131.4	177.6	-54.9	0	0	0	0	112.2	C312 D313	T224-C312 PolarHBondContact N-O 3.17Å; T224-C312 PolarHBondContact OG1-O 3.38Å; T224-D313 WeakPolarHBondContact OG1-CA 3.33Å
225	F	91.7	Very high	90.9	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-80.9	135.5	175.7	-76	5.6	0	0	0	111	A138 P212 E213 I222 A223 F230 A296 I299 R300 M303	A138-F225 HydrophobicContact CB-CE1 4.13Å; A138-F225 HydrophobicContact CB-CZ 3.76Å; P212-F225 HydrophobicContact CB-CB 3.93Å; P212-F225 HydrophobicContact CB-CD1 4.01Å; P212-F225 HydrophobicContact CB-CD2 3.76Å; P212-F225 HydrophobicContact CB-CE1 4.47Å; P212-F225 HydrophobicContact CB-CE2 4.24Å; P212-F225 HydrophobicContact CB-CG 3.63Å; P212-F225 HydrophobicContact CG-CD1 3.76Å; P212-F225 HydrophobicContact CG-CD2 3.51Å; P212-F225 HydrophobicContact CG-CE1 3.72Å; P212-F225 HydrophobicContact CG-CE2 3.46Å; P212-F225 VanDerWaalsContact CG-CE2 3.46Å; P212-F225 HydrophobicContact CG-CG 3.67Å; P212-F225 HydrophobicContact CG-CZ 3.58Å; E213-F225 HydrophobicContact CG-CD1 4.01Å; E213-F225 HydrophobicContact CG-CE1 3.72Å; I222-F225 HydrophobicContact CG2-CD1 4.24Å; I222-F225 HydrophobicContact CG2-CE1 3.38Å; I222-F225 HydrophobicContact CG2-CZ 3.83Å; A223-F225 WeakPolarHBondContact O-CD1 3.42Å; A223-F225 PolarHBondContact O-N 3.23Å; F225-F230 HydrophobicContact CB-CE2 4.27Å; F225-F230 HydrophobicContact CD2-CE2 4.17Å; F225-F230 AromaticContact CD2-CZ 3.95Å; F225-F230 HydrophobicContact CD2-CZ 3.95Å; F225-A296 HydrophobicContact CB-CB 4.03Å; F225-I299 HydrophobicContact CE2-CG2 4.19Å; F225-R300 HydrophobicContact CD1-CB 4.37Å; F225-R300 HydrophobicContact CD1-CG 3.98Å; F225-R300 HydrophobicContact CD2-CB 3.67Å; F225-R300 HydrophobicContact CD2-CG 4.17Å; F225-R300 HydrophobicContact CE1-CB 4.45Å; F225-R300 HydrophobicContact CE1-CG 3.96Å; F225-R300 HydrophobicContact CE2-CB 3.77Å; F225-R300 HydrophobicContact CE2-CG 4.15Å; F225-R300 HydrophobicContact CG-CB 3.98Å; F225-R300 HydrophobicContact CG-CG 4.09Å; F225-R300 HydrophobicContact CZ-CB 4.17Å; F225-R300 HydrophobicContact CZ-CG 4.03Å; F225-M303 HydrophobicContact CE2-SD 3.78Å; F225-M303 HydrophobicContact CZ-SD 3.79Å
226	K	87.9	Confident	91.6	Very high	105 Å²	105	23 Å²	23	46%	0.457	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-73.5	132.9	171.9	-62.1	-178.6	-178.3	177.2	0	109.1	P212 G214 G228	P212-K226 PolarHBondContact O-N 3.04Å; G214-K226 PolarHBondContact O-NZ 3.38Å; K226-G228 PolarHBondContact O-N 2.75Å; K226-G228 VanDerWaalsContact O-N 3.16Å
227	P	89	Confident	91.9	Very high	47 Å²	47	22.5 Å²	22.5	31%	0.305	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-70.7	-14.5	-173.3	27.2	-35	0	0	0	113.8	A229 F230 N231 A292	P227-A229 PolarHBondContact O-N 2.85Å; P227-A229 VanDerWaalsContact O-N 3.08Å; P227-F230 WeakPolarHBondContact O-CA 3.33Å; P227-F230 PolarHBondContact O-N 3.49Å; P227-N231 PolarHBondContact O-N 2.81Å; P227-N231 VanDerWaalsContact O-N 3.16Å; P227-N231 PolarHBondContact O-OD1 3.15Å; P227-A292 HydrophobicContact CB-CB 4.12Å
228	G	87.8	Confident	92.3	Very high	25 Å²	25	22.6 Å²	22.6	26%	0.258	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-56.5	-31	-173.1	0	0	0	0	0	115	L195 K226 F230	L195-G228 WeakPolarHBondContact CD2-O 3.47Å; K226-G228 PolarHBondContact O-N 2.75Å; K226-G228 VanDerWaalsContact O-N 3.16Å; G228-F230 VanDerWaalsContact C-N 3.28Å; G228-F230 PolarHBondContact O-N 3.21Å
229	A	86.6	Confident	92.6	Very high	6 Å²	6	21.2 Å²	21.2	5%	0.05	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-70	-25.3	175.7	0	0	0	0	0	113.4	I210 P227	I210-A229 HydrophobicContact CB-CB 4.29Å; I210-A229 HydrophobicContact CD1-CB 3.68Å; I210-A229 HydrophobicContact CG2-CB 3.95Å; P227-A229 PolarHBondContact O-N 2.85Å; P227-A229 VanDerWaalsContact O-N 3.08Å
230	F	95.3	Very high	92.9	Very high	2 Å²	2	19 Å²	19	1%	0.009	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-16.5	-169.1	-57.4	-80.8	0	0	0	112.6	V136 P212 F225 P227 G228 A232 G233 V236 A292 Y295 A296 I299	V136-F230 HydrophobicContact CG1-CE1 4.09Å; V136-F230 HydrophobicContact CG1-CZ 4.03Å; P212-F230 HydrophobicContact CB-CE2 3.91Å; P212-F230 HydrophobicContact CB-CZ 4.2Å; F225-F230 HydrophobicContact CB-CE2 4.27Å; F225-F230 HydrophobicContact CD2-CE2 4.17Å; F225-F230 AromaticContact CD2-CZ 3.95Å; F225-F230 HydrophobicContact CD2-CZ 3.95Å; P227-F230 WeakPolarHBondContact O-CA 3.33Å; P227-F230 PolarHBondContact O-N 3.49Å; G228-F230 VanDerWaalsContact C-N 3.28Å; G228-F230 PolarHBondContact O-N 3.21Å; F230-A232 PolarHBondContact O-N 3.41Å; F230-G233 PolarHBondContact O-N 3.35Å; F230-V236 HydrophobicContact CE1-CG2 4.38Å; F230-A292 HydrophobicContact CB-CB 4.14Å; F230-Y295 HydrophobicContact CB-CD1 3.66Å; F230-Y295 HydrophobicContact CB-CE1 4.33Å; F230-Y295 HydrophobicContact CB-CG 4.13Å; F230-Y295 AromaticContact CD1-CD1 3.75Å; F230-Y295 HydrophobicContact CD1-CD1 3.75Å; F230-Y295 HydrophobicContact CD1-CD2 4.18Å; F230-Y295 AromaticContact CD1-CE1 3.9Å; F230-Y295 HydrophobicContact CD1-CE1 3.9Å; F230-Y295 HydrophobicContact CD1-CE2 4.28Å; F230-Y295 AromaticContact CD1-CG 3.89Å; F230-Y295 HydrophobicContact CD1-CG 3.89Å; F230-Y295 HydrophobicContact CG-CD1 4.16Å; F230-Y295 HydrophobicContact CG-CG 4.36Å; F230-A296 HydrophobicContact CD2-CB 3.36Å; F230-A296 HydrophobicContact CE2-CB 3.52Å; F230-A296 HydrophobicContact CG-CB 3.97Å; F230-A296 HydrophobicContact CZ-CB 4.25Å; F230-I299 HydrophobicContact CE1-CB 4.11Å; F230-I299 HydrophobicContact CE1-CG1 3.9Å; F230-I299 HydrophobicContact CE1-CG2 4.28Å; F230-I299 HydrophobicContact CZ-CB 4.42Å; F230-I299 HydrophobicContact CZ-CG2 4.41Å
231	N	93.1	Very high	93.2	Very high	64 Å²	64	17.7 Å²	17.7	34%	0.342	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-17.6	176.1	-77.9	-2.6	0	0	0	115	I192 P227 G233 A292	I192-N231 VanDerWaalsContact CD1-ND2 3.34Å; I192-N231 WeakPolarHBondContact CD1-ND2 2.95Å; I192-N231 HydrophobicContact CG2-CB 3.79Å; P227-N231 PolarHBondContact O-N 2.81Å; P227-N231 VanDerWaalsContact O-N 3.16Å; P227-N231 PolarHBondContact O-OD1 3.15Å; N231-G233 VanDerWaalsContact C-N 3.29Å; N231-A292 WeakPolarHBondContact OD1-CB 3.5Å
232	A	92.4	Very high	93.5	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.025	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.3	176.7	0	0	0	0	0	113.9	I134 I196 K200 F230 V234	I134-A232 HydrophobicContact CD1-CB 4.42Å; I196-A232 HydrophobicContact CG1-CB 3.89Å; K200-A232 WeakPolarHBondContact CE-O 3.21Å; K200-A232 PolarHBondContact NZ-O 3.45Å; F230-A232 PolarHBondContact O-N 3.41Å; A232-V234 HydrophobicContact CB-CG1 4.17Å; A232-V234 HydrophobicContact CB-CG2 3.84Å; A232-V234 PolarHBondContact O-N 2.98Å
233	G	94.3	Very high	93.6	Very high	15 Å²	15	21.3 Å²	21.3	16%	0.155	12%	0.121	C	C	.	.			trans	60.3	24.2	-176.7	0	0	0	0	0	113	F230 N231	F230-G233 PolarHBondContact O-N 3.35Å; N231-G233 VanDerWaalsContact C-N 3.29Å
234	V	95.9	Very high	93.7	Very high	15 Å²	15	23.1 Å²	23.1	9%	0.091	13%	0.132	C	C	.	.			trans	-99.6	160.4	-179.8	-62.1	0	0	0	0	110.6	P133 I134 A199 K200 A232 V236 Y295	P133-V234 HydrophobicContact CG-CB 4Å; P133-V234 HydrophobicContact CG-CG2 3.76Å; I134-V234 HydrophobicContact CD1-CG2 3.71Å; I134-V234 HydrophobicContact CG1-CG2 4.24Å; A199-V234 HydrophobicContact CB-CG1 4.38Å; A199-V234 HydrophobicContact CB-CG2 4.13Å; K200-V234 HydrophobicContact CG-CG1 3.97Å; A232-V234 HydrophobicContact CB-CG1 4.17Å; A232-V234 HydrophobicContact CB-CG2 3.84Å; A232-V234 PolarHBondContact O-N 2.98Å; V234-V236 PolarHBondContact O-N 3.16Å; V234-Y295 PolarHBondContact O-OH 3.29Å
235	P	97.6	Very high	93.8	Very high	25 Å²	25	22.1 Å²	22.1	16%	0.162	13%	0.125	C	C	.	.			trans	-60.3	139.5	174.6	-20.2	33.3	0	0	0	111	E131 P133 V281 Y282	E131-P235 VanDerWaalsContact O-CB 3.31Å; E131-P235 WeakPolarHBondContact O-CB 3.11Å; P133-P235 WeakPolarHBondContact CD-O 3.18Å; P235-V281 HydrophobicContact CB-CG1 3.87Å; P235-Y282 WeakPolarHBondContact CA-O 3.42Å
236	V	97.8	Very high	93.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.2	175.5	-53.4	0	0	0	0	110.1	I134 V136 F230 V234 P238 Y282 Y295 I299	I134-V236 HydrophobicContact CB-CG1 4.07Å; I134-V236 HydrophobicContact CG2-CG1 4.3Å; I134-V236 CarbonylContact O-C 3.52Å; I134-V236 VanDerWaalsContact O-CA 3.27Å; I134-V236 WeakPolarHBondContact O-CA 3.22Å; V136-V236 HydrophobicContact CG1-CB 4.35Å; V136-V236 HydrophobicContact CG2-CB 4.43Å; V136-V236 HydrophobicContact CG2-CG2 4.04Å; F230-V236 HydrophobicContact CE1-CG2 4.38Å; V234-V236 PolarHBondContact O-N 3.16Å; V236-P238 WeakPolarHBondContact O-CD 3.42Å; V236-Y282 PolarHBondContact N-O 2.73Å; V236-Y282 VanDerWaalsContact N-O 3.16Å; V236-Y282 PolarHBondContact O-N 3.17Å; V236-Y295 HydrophobicContact CG1-CE1 4.39Å; V236-Y295 WeakPolarHBondContact CG1-OH 2.98Å; V236-Y295 HydrophobicContact CG2-CE2 4.28Å; V236-Y295 WeakPolarHBondContact CG2-OH 2.85Å; V236-Y295 PolarHBondContact N-OH 2.7Å; V236-I299 HydrophobicContact CG2-CD1 3.95Å; V236-I299 HydrophobicContact CG2-CG1 4.19Å
237	Q	98.1	Very high	93.3	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.7	168.5	-175.3	170.2	38.1	0	0	109.7	V125 A132 I134 M135 V136 L279 V281	V125-Q237 PolarHBondContact O-NE2 3.1Å; A132-Q237 HydrophobicContact CB-CB 3.87Å; I134-Q237 PolarHBondContact O-N 3.5Å; M135-Q237 VanDerWaalsContact CA-O 3.29Å; M135-Q237 WeakPolarHBondContact CA-O 3.23Å; M135-Q237 HydrophobicContact CG-CB 4.23Å; V136-Q237 PolarHBondContact N-O 3.37Å; Q237-L279 WeakPolarHBondContact CG-O 3.21Å; Q237-L279 PolarHBondContact NE2-O 3.45Å; Q237-V281 HydrophobicContact CB-CG2 4.45Å
238	P	98.3	Very high	93.3	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.013	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	136.3	171.4	-15.8	31.2	0	0	0	110.9	V136 V236 L279 P280 I299 M303	V136-P238 HydrophobicContact CG2-CB 4.09Å; V136-P238 HydrophobicContact CG2-CG 4.3Å; V136-P238 CarbonylContact O-C 3.59Å; V136-P238 WeakPolarHBondContact O-CA 3.4Å; V236-P238 WeakPolarHBondContact O-CD 3.42Å; P238-L279 HydrophobicContact CB-CB 4.11Å; P238-L279 HydrophobicContact CB-CD1 4.08Å; P238-L279 HydrophobicContact CB-CG 4.41Å; P238-L279 HydrophobicContact CG-CB 4.47Å; P238-L279 WeakPolarHBondContact O-CB 3.25Å; P238-L279 PolarHBondContact O-N 2.93Å; P238-P280 WeakPolarHBondContact CD-O 3.33Å; P238-I299 HydrophobicContact CB-CG2 4.4Å; P238-I299 HydrophobicContact CG-CD1 4.13Å; P238-I299 HydrophobicContact CG-CG2 4.1Å; P238-M303 HydrophobicContact CB-CE 4.18Å; P238-M303 HydrophobicContact CB-CG 3.87Å; P238-M303 HydrophobicContact CB-SD 4Å
239	V	98.3	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.9	178.6	-173.2	0	0	0	0	108.9	M135 V136 I137 A138 I276 E277 F278 M303	M135-V239 HydrophobicContact CB-CG2 4.2Å; M135-V239 HydrophobicContact CG-CG2 4.34Å; M135-V239 HydrophobicContact SD-CG2 4.27Å; V136-V239 PolarHBondContact O-N 3.38Å; I137-V239 WeakPolarHBondContact CA-O 3.22Å; I137-V239 HydrophobicContact CG1-CB 4.12Å; A138-V239 PolarHBondContact N-O 2.95Å; A138-V239 VanDerWaalsContact N-O 3.14Å; V239-I276 HydrophobicContact CG1-CG2 3.48Å; V239-I276 VanDerWaalsContact CG1-CG2 3.48Å; V239-E277 CarbonylContact C-O 3.56Å; V239-E277 WeakPolarHBondContact CA-O 3.43Å; V239-F278 HydrophobicContact CG1-CD1 4.21Å; V239-F278 HydrophobicContact CG1-CE1 4.27Å; V239-F278 HydrophobicContact CG2-CD1 3.73Å; V239-F278 HydrophobicContact CG2-CE1 4.01Å; V239-M303 VanDerWaalsContact O-CE 3.24Å; V239-M303 WeakPolarHBondContact O-CE 2.92Å
240	I	97.9	Very high	93.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.4	179.8	-72.3	172.7	0	0	0	110	A138 R242 I276 E277 L279 M303 H306 L307	A138-I240 WeakPolarHBondContact O-CA 3.46Å; I240-R242 HydrophobicContact CG2-CG 4.32Å; I240-I276 WeakPolarHBondContact O-CA 3.49Å; I240-E277 HydrophobicContact CB-CB 4.26Å; I240-E277 PolarHBondContact N-O 3.42Å; I240-E277 PolarHBondContact O-N 3.47Å; I240-L279 HydrophobicContact CD1-CD1 3.63Å; I240-L279 HydrophobicContact CD1-CD2 4.13Å; I240-L279 HydrophobicContact CD1-CG 4.02Å; I240-L279 HydrophobicContact CG1-CD1 4.24Å; I240-L279 HydrophobicContact CG1-CG 4.41Å; I240-M303 HydrophobicContact CG1-CE 4.13Å; I240-H306 HydrophobicContact CD1-CB 3.21Å; I240-L307 HydrophobicContact CD1-CG 4.17Å; I240-L307 HydrophobicContact CG1-CD1 4.44Å; I240-L307 HydrophobicContact CG1-CG 4.28Å; I240-L307 HydrophobicContact CG2-CD1 4.18Å; I240-L307 HydrophobicContact CG2-CD2 3.33Å; I240-L307 HydrophobicContact CG2-CG 3.57Å
241	V	97.1	Very high	93.3	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.3	178.8	176.8	0	0	0	0	109.8	I137 A138 P139 I148 W243 L274 E275	I137-V241 HydrophobicContact CG2-CG2 3.41Å; I137-V241 VanDerWaalsContact CG2-CG2 3.41Å; A138-V241 PolarHBondContact O-N 3.11Å; A138-V241 VanDerWaalsContact O-N 3.15Å; P139-V241 WeakPolarHBondContact CD-O 3.31Å; I148-V241 HydrophobicContact CD1-CB 4.3Å; I148-V241 HydrophobicContact CD1-CG1 3.88Å; I148-V241 HydrophobicContact CD1-CG2 3.49Å; I148-V241 VanDerWaalsContact CD1-CG2 3.49Å; I148-V241 HydrophobicContact CG1-CG2 4.19Å; V241-W243 HydrophobicContact CG1-CZ2 4.47Å; V241-L274 HydrophobicContact CG1-CD1 3.67Å; V241-E275 WeakPolarHBondContact CA-O 3.16Å
242	R	96.2	Very high	93.2	Very high	63 Å²	63	26.8 Å²	26.8	24%	0.238	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.4	170.6	-56.9	-175.4	-173.1	79.4	-3.5	110.5	I240 P244 E275 E277 H306 L307	I240-R242 HydrophobicContact CG2-CG 4.32Å; R242-P244 VanDerWaalsContact C-CD 3.4Å; R242-P244 WeakPolarHBondContact O-CD 3.42Å; R242-E275 HydrophobicContact CB-CB 4.27Å; R242-E275 PolarHBondContact N-O 3.21Å; R242-E275 PolarHBondContact O-N 3.22Å; R242-E277 IonicContact CZ-OE2 3.88Å; R242-E277 IonicContact NH1-OE2 2.82Å; R242-E277 PolarHBondContact NH1-OE2 2.95Å; R242-E277 IonicContact NH2-OE2 3.9Å; R242-E277 PolarHBondContact NH2-OE2 2.97Å; R242-H306 PolarHBondContact NH2-O 3.15Å; R242-L307 HydrophobicContact CG-CD2 4.06Å
243	W	93.7	Very high	92.9	Very high	16 Å²	16	27 Å²	27	6%	0.061	13%	0.13	C	C	.	.			trans	-113.9	74.5	175.1	-63.6	104.6	0	0	0	109.9	F117 S141 L144 D145 L147 V241 N245 V250 L274	F117-W243 HydrophobicContact CD1-CZ3 4.05Å; F117-W243 HydrophobicContact CE1-CE3 4.13Å; F117-W243 HydrophobicContact CE1-CH2 4.23Å; F117-W243 AromaticContact CE1-CZ3 3.4Å; F117-W243 HydrophobicContact CE1-CZ3 3.4Å; F117-W243 HydrophobicContact CZ-CZ3 4.13Å; S141-W243 PolarHBondContact OG-NE1 3.19Å; L144-W243 HydrophobicContact CB-CH2 4.46Å; D145-W243 WeakPolarHBondContact OD1-CZ2 3.29Å; L147-W243 HydrophobicContact CD2-CH2 4.38Å; L147-W243 HydrophobicContact CD2-CZ3 4.5Å; V241-W243 HydrophobicContact CG1-CZ2 4.47Å; W243-N245 PolarHBondContact O-N 3.33Å; W243-V250 HydrophobicContact CB-CG2 4.48Å; W243-V250 HydrophobicContact CD2-CB 4.31Å; W243-V250 HydrophobicContact CD2-CG1 3.76Å; W243-V250 HydrophobicContact CD2-CG2 4.03Å; W243-V250 HydrophobicContact CE3-CG1 4.34Å; W243-V250 HydrophobicContact CE3-CG2 3.94Å; W243-V250 HydrophobicContact CG-CB 4.27Å; W243-V250 HydrophobicContact CG-CG1 3.94Å; W243-V250 HydrophobicContact CG-CG2 4.3Å; W243-V250 HydrophobicContact CZ2-CG1 4.07Å; W243-V250 HydrophobicContact CZ3-CG2 4.47Å; W243-L274 HydrophobicContact CD2-CD1 4.07Å; W243-L274 HydrophobicContact CE3-CB 4.04Å; W243-L274 HydrophobicContact CE3-CD1 3.96Å; W243-L274 HydrophobicContact CH2-CB 4.31Å; W243-L274 HydrophobicContact CH2-CD1 3.79Å; W243-L274 HydrophobicContact CH2-CD2 4.05Å; W243-L274 HydrophobicContact CH2-CG 4.26Å; W243-L274 HydrophobicContact CZ2-CD1 3.87Å; W243-L274 HydrophobicContact CZ3-CB 3.68Å; W243-L274 HydrophobicContact CZ3-CD1 3.8Å; W243-L274 HydrophobicContact CZ3-CD2 4.25Å; W243-L274 HydrophobicContact CZ3-CG 4.1Å
244	P	92.1	Very high	92	Very high	43 Å²	43	29.4 Å²	29.4	28%	0.279	14%	0.144	S	C	.	.			trans	-78.1	63.7	-172.4	34.9	-39.2	0	0	0	112.1	R242 R273 E275	R242-P244 VanDerWaalsContact C-CD 3.4Å; R242-P244 WeakPolarHBondContact O-CD 3.42Å; P244-R273 HydrophobicContact CG-CB 4.01Å; P244-R273 PolarHBondContact O-NE 3.29Å; P244-R273 VanDerWaalsContact O-NE 3.16Å; P244-R273 PolarHBondContact O-NH2 2.98Å; P244-E275 HydrophobicContact CG-CG 3.81Å
245	N	89.6	Confident	91.1	Very high	27 Å²	27	32.1 Å²	32.1	14%	0.144	16%	0.155	C	C	.	.			trans	-103.3	139	-179	-62	-51.7	0	0	0	110.2	W243 V247 N272 R273	W243-N245 PolarHBondContact O-N 3.33Å; N245-V247 VanDerWaalsContact C-N 3.25Å; N245-V247 WeakPolarHBondContact CB-O 3.34Å; N245-V247 PolarHBondContact O-N 2.96Å; N245-N272 WeakPolarHBondContact OD1-CA 3.47Å; N245-R273 PolarHBondContact ND2-O 3.11Å; N245-R273 PolarHBondContact OD1-N 3.23Å
246	K	84	Confident	90.4	Very high	200 Å²	200	32.4 Å²	32.4	87%	0.87	16%	0.163	S	C	*	.	S	Bend	trans	-62.1	-35.4	179.4	-69.5	-173.2	176.9	-174.7	0	112.6
247	V	85.6	Confident	89.8	Confident	13 Å²	13	33 Å²	33	8%	0.079	17%	0.167	C	C	.	.	S	Bend	trans	-113.8	123.8	170.4	-178.6	0	0	0	0	105.9	I42 Q46 N245 C249	I42-V247 HydrophobicContact CD1-CG1 4.15Å; I42-V247 HydrophobicContact CG1-CG1 4.03Å; Q46-V247 HydrophobicContact CB-CG2 4.39Å; Q46-V247 HydrophobicContact CG-CG2 4.11Å; N245-V247 VanDerWaalsContact C-N 3.25Å; N245-V247 WeakPolarHBondContact CB-O 3.34Å; N245-V247 PolarHBondContact O-N 2.96Å; V247-C249 PolarHBondContact O-N 3.36Å; V247-C249 VanDerWaalsContact O-N 3.09Å
248	D	88	Confident	89.3	Confident	33 Å²	33	35 Å²	35	18%	0.176	19%	0.189	C	C	.	.			trans	-78	96.5	175.8	175.4	15.8	0	0	0	109.9	Y38 R219 V250 T251	Y38-D248 HydrophobicContact CE2-CB 4.36Å; Y38-D248 VanDerWaalsContact OH-CB 3.32Å; Y38-D248 WeakPolarHBondContact OH-CB 3.37Å; Y38-D248 PolarHBondContact OH-O 2.93Å; R219-D248 IonicContact CZ-OD2 3.18Å; R219-D248 IonicContact NH2-OD1 2.77Å; R219-D248 PolarHBondContact NH2-OD1 3.45Å; R219-D248 VanDerWaalsContact NH2-OD1 3.11Å; R219-D248 IonicContact NH2-OD2 2.66Å; R219-D248 PolarHBondContact NH2-OD2 2.72Å; D248-V250 PolarHBondContact OD1-N 3.38Å; D248-T251 VanDerWaalsContact CG-OG1 3.25Å; D248-T251 PolarHBondContact OD1-N 3.38Å; D248-T251 PolarHBondContact OD1-OG1 2.85Å; D248-T251 WeakPolarHBondContact OD2-CB 3.4Å; D248-T251 PolarHBondContact OD2-OG1 3.5Å
249	C	87.6	Confident	88.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.007	21%	0.205	C	C	.	.			trans	-97.2	4.8	174.6	-54.2	0	0	0	0	112.3	V247 L265 L266	V247-C249 PolarHBondContact O-N 3.36Å; V247-C249 VanDerWaalsContact O-N 3.09Å; C249-L265 HydrophobicContact CB-CB 4Å; C249-L265 VanDerWaalsContact SG-C 3.57Å; C249-L265 PolarHBondContact SG-O 3.05Å; C249-L265 VanDerWaalsContact SG-O 3.41Å; C249-L266 HydrophobicContact CB-CB 4.11Å; C249-L266 HydrophobicContact CB-CD1 4.37Å
250	V	90.2	Very high	88.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.			trans	-104	-35.7	-168.6	178.4	0	0	0	0	111.5	S142 L144 W243 D248 W252	S142-V250 WeakPolarHBondContact CB-O 3.35Å; S142-V250 WeakPolarHBondContact OG-CG1 3.37Å; S142-V250 PolarHBondContact OG-O 3.09Å; L144-V250 HydrophobicContact CB-CG1 4.36Å; L144-V250 HydrophobicContact CD1-CB 4.36Å; L144-V250 HydrophobicContact CD1-CG1 4.13Å; L144-V250 HydrophobicContact CD1-CG2 4.13Å; W243-V250 HydrophobicContact CB-CG2 4.48Å; W243-V250 HydrophobicContact CD2-CB 4.31Å; W243-V250 HydrophobicContact CD2-CG1 3.76Å; W243-V250 HydrophobicContact CD2-CG2 4.03Å; W243-V250 HydrophobicContact CE3-CG1 4.34Å; W243-V250 HydrophobicContact CE3-CG2 3.94Å; W243-V250 HydrophobicContact CG-CB 4.27Å; W243-V250 HydrophobicContact CG-CG1 3.94Å; W243-V250 HydrophobicContact CG-CG2 4.3Å; W243-V250 HydrophobicContact CZ2-CG1 4.07Å; W243-V250 HydrophobicContact CZ3-CG2 4.47Å; D248-V250 PolarHBondContact OD1-N 3.38Å; V250-W252 PolarHBondContact O-N 2.99Å; V250-W252 VanDerWaalsContact O-N 3.12Å
251	T	92.4	Very high	88.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.			trans	-58.1	115.3	-177	-64	0	0	0	0	112.6	Y38 N218 R219 D248 V253 L262	Y38-T251 HydrophobicContact CD1-CG2 3.77Å; Y38-T251 HydrophobicContact CD2-CG2 4.12Å; Y38-T251 HydrophobicContact CG-CG2 3.53Å; N218-T251 HydrophobicContact CB-CG2 3.72Å; R219-T251 PolarHBondContact NH1-OG1 3Å; R219-T251 PolarHBondContact NH2-OG1 2.82Å; D248-T251 VanDerWaalsContact CG-OG1 3.25Å; D248-T251 PolarHBondContact OD1-N 3.38Å; D248-T251 PolarHBondContact OD1-OG1 2.85Å; D248-T251 WeakPolarHBondContact OD2-CB 3.4Å; D248-T251 PolarHBondContact OD2-OG1 3.5Å; T251-V253 HydrophobicContact CG2-CG1 3.74Å; T251-V253 HydrophobicContact CG2-CG2 4.3Å; T251-L262 WeakPolarHBondContact O-CD1 3.45Å
252	W	90.6	Very high	88.1	Confident	101 Å²	101	49.3 Å²	49.3	38%	0.383	26%	0.262	S	S	.	.			trans	-120	104.6	172.4	-177.9	43.5	0	0	0	108.8	S141 F143 C216 V250 V259 L262	S141-W252 PolarHBondContact O-N 2.96Å; F143-W252 HydrophobicContact CB-CE3 4.11Å; F143-W252 HydrophobicContact CB-CZ3 4.12Å; F143-W252 HydrophobicContact CD1-CB 4.38Å; F143-W252 HydrophobicContact CD1-CD2 4.05Å; F143-W252 AromaticContact CD1-CE3 3.91Å; F143-W252 HydrophobicContact CD1-CE3 3.91Å; F143-W252 HydrophobicContact CD1-CG 4.28Å; C216-W252 WeakPolarHBondContact CB-O 3.32Å; V250-W252 PolarHBondContact O-N 2.99Å; V250-W252 VanDerWaalsContact O-N 3.12Å; W252-V259 HydrophobicContact CZ2-CG2 4.03Å; W252-L262 HydrophobicContact CB-CD1 3.64Å; W252-L262 HydrophobicContact CG-CD1 3.96Å
253	V	86.1	Confident	87.9	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.042	27%	0.266	C	S	.	.			trans	-123.3	166.3	-179.7	-65.8	0	0	0	0	109.1	F36 N218 T251 E255 G256	F36-V253 WeakPolarHBondContact O-CB 3.2Å; F36-V253 VanDerWaalsContact O-CG2 3.31Å; F36-V253 WeakPolarHBondContact O-CG2 3.33Å; N218-V253 HydrophobicContact CB-CG1 4.24Å; T251-V253 HydrophobicContact CG2-CG1 3.74Å; T251-V253 HydrophobicContact CG2-CG2 4.3Å; V253-E255 PolarHBondContact O-N 2.95Å; V253-G256 PolarHBondContact O-N 2.71Å
254	C	75.5	Confident	87.8	Confident	67 Å²	67	51.4 Å²	51.4	45%	0.453	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-37.7	179.9	-65.5	0	0	0	0	112.2	Y316	C254-Y316 HydrophobicContact CB-CE2 3.84Å; C254-Y316 WeakPolarHBondContact SG-CE2 3.17Å; C254-Y316 PolarHBondContact SG-OH 3.35Å
255	E	76.2	Confident	87.8	Confident	71 Å²	71	49.4 Å²	49.4	33%	0.332	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-111.4	76	176.2	-58.2	-156.5	156	0	0	111.4	F36 T37 Y38 V253 F319 R323	F36-E255 PolarHBondContact O-N 3.34Å; F36-E255 VanDerWaalsContact O-N 3.16Å; T37-E255 CarbonylContact C-O 3.48Å; T37-E255 WeakPolarHBondContact CA-O 3.38Å; T37-E255 HydrophobicContact CG2-CB 4.2Å; Y38-E255 PolarHBondContact N-O 3.29Å; V253-E255 PolarHBondContact O-N 2.95Å; E255-F319 HydrophobicContact CG-CE1 4.06Å; E255-F319 HydrophobicContact CG-CZ 4.2Å; E255-R323 WeakPolarHBondContact OE1-CD 3.44Å; E255-R323 IonicContact OE1-CZ 3.16Å; E255-R323 IonicContact OE1-NE 2.73Å; E255-R323 IonicContact OE1-NH1 2.71Å; E255-R323 PolarHBondContact OE1-NH1 2.9Å
256	G	83	Confident	87.9	Confident	32 Å²	32	48.4 Å²	48.4	33%	0.33	26%	0.256	S	S	.	.	S	Bend	trans	-152.8	-175	179.2	0	0	0	0	0	112.7	V253 G258	V253-G256 PolarHBondContact O-N 2.71Å; G256-G258 PolarHBondContact O-N 3.05Å
257	P	85.4	Confident	88.3	Confident	13 Å²	13	39.6 Å²	39.6	8%	0.084	22%	0.218	C	C	.	.			trans	-56.5	135.2	172.6	-21	33.3	0	0	0	110.8	Y38 C40 K261 L262	Y38-P257 HydrophobicContact CD1-CG 4.27Å; Y38-P257 HydrophobicContact CE1-CG 4.4Å; C40-P257 HydrophobicContact CB-CG 4.18Å; P257-K261 HydrophobicContact CB-CB 4.09Å; P257-K261 HydrophobicContact CB-CD 3.89Å; P257-K261 HydrophobicContact CB-CG 3.95Å; P257-L262 HydrophobicContact CB-CD2 3.8Å; P257-L262 HydrophobicContact CB-CG 4.01Å; P257-L262 HydrophobicContact CG-CD2 4.02Å
258	G	87.6	Confident	88.6	Confident	46 Å²	46	39 Å²	39	47%	0.474	21%	0.214	S	C	.	.			trans	-60.6	160.6	172.3	0	0	0	0	0	112.1	G256 L260 K261 L262	G256-G258 PolarHBondContact O-N 3.05Å; G258-L260 VanDerWaalsContact C-N 3.28Å; G258-L260 PolarHBondContact O-N 2.91Å; G258-L260 VanDerWaalsContact O-N 3.17Å; G258-K261 WeakPolarHBondContact O-CB 3.42Å; G258-K261 PolarHBondContact O-N 2.97Å; G258-L262 PolarHBondContact O-N 3.04Å
259	V	90.2	Very high	88.7	Confident	57 Å²	57	38 Å²	38	35%	0.345	21%	0.208	S	C	.	.	H	α-helix	trans	-52.5	-42.6	-174.9	176.4	0	0	0	0	112.6	F143 W252 K261 L262 L263	F143-V259 HydrophobicContact CE1-CG1 4.02Å; F143-V259 HydrophobicContact CE1-CG2 4.42Å; F143-V259 HydrophobicContact CZ-CG1 4.07Å; W252-V259 HydrophobicContact CZ2-CG2 4.03Å; V259-K261 VanDerWaalsContact C-N 3.34Å; V259-K261 PolarHBondContact O-N 3.27Å; V259-L262 PolarHBondContact O-N 2.72Å; V259-L263 HydrophobicContact CG1-CD1 3.91Å; V259-L263 HydrophobicContact CG1-CG 4.2Å; V259-L263 WeakPolarHBondContact O-CB 3.37Å; V259-L263 WeakPolarHBondContact O-CG 3.34Å; V259-L263 PolarHBondContact O-N 3.04Å
260	L	91.7	Very high	88.9	Confident	148 Å²	148	43.6 Å²	43.6	78%	0.775	23%	0.233	S	C	*	.	H	α-helix	trans	-62.5	-39.8	178.8	-65.5	179.7	0	0	0	112.8	G258 W264	G258-L260 VanDerWaalsContact C-N 3.28Å; G258-L260 PolarHBondContact O-N 2.91Å; G258-L260 VanDerWaalsContact O-N 3.17Å; L260-W264 WeakPolarHBondContact O-CB 3.18Å; L260-W264 PolarHBondContact O-N 2.96Å
261	K	91.2	Very high	88.9	Confident	97 Å²	97	45.9 Å²	45.9	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-67	-45.3	175.9	-178.4	167.3	168.4	-175.4	0	109.9	P257 G258 V259 L263 W264 L265	P257-K261 HydrophobicContact CB-CB 4.09Å; P257-K261 HydrophobicContact CB-CD 3.89Å; P257-K261 HydrophobicContact CB-CG 3.95Å; G258-K261 WeakPolarHBondContact O-CB 3.42Å; G258-K261 PolarHBondContact O-N 2.97Å; V259-K261 VanDerWaalsContact C-N 3.34Å; V259-K261 PolarHBondContact O-N 3.27Å; K261-L263 PolarHBondContact O-N 2.85Å; K261-W264 HydrophobicContact CG-CE3 4.48Å; K261-W264 PolarHBondContact O-N 3.03Å; K261-L265 HydrophobicContact CG-CD1 4.17Å; K261-L265 HydrophobicContact CG-CG 4.3Å; K261-L265 WeakPolarHBondContact O-CG 3.17Å; K261-L265 PolarHBondContact O-N 3.15Å
262	L	92.4	Very high	89	Confident	1 Å²	1	46 Å²	46	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-45.3	175.9	-66	176.7	0	0	0	112.2	F143 T251 W252 P257 G258 V259 W264 L265 L266	F143-L262 HydrophobicContact CE1-CD1 4.34Å; T251-L262 WeakPolarHBondContact O-CD1 3.45Å; W252-L262 HydrophobicContact CB-CD1 3.64Å; W252-L262 HydrophobicContact CG-CD1 3.96Å; P257-L262 HydrophobicContact CB-CD2 3.8Å; P257-L262 HydrophobicContact CB-CG 4.01Å; P257-L262 HydrophobicContact CG-CD2 4.02Å; G258-L262 PolarHBondContact O-N 3.04Å; V259-L262 PolarHBondContact O-N 2.72Å; L262-W264 PolarHBondContact O-N 3.02Å; L262-L265 PolarHBondContact O-N 3.26Å; L262-L266 WeakPolarHBondContact O-CB 3.39Å; L262-L266 PolarHBondContact O-N 2.86Å
263	L	92.5	Very high	89.2	Confident	64 Å²	64	46.7 Å²	46.7	34%	0.335	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-44.5	175.2	-73.1	174.1	0	0	0	111.6	F143 V259 K261 L266 M267	F143-L263 HydrophobicContact CE2-CD2 3.99Å; F143-L263 HydrophobicContact CZ-CD2 3.92Å; F143-L263 HydrophobicContact CZ-CG 4.2Å; V259-L263 HydrophobicContact CG1-CD1 3.91Å; V259-L263 HydrophobicContact CG1-CG 4.2Å; V259-L263 WeakPolarHBondContact O-CB 3.37Å; V259-L263 WeakPolarHBondContact O-CG 3.34Å; V259-L263 PolarHBondContact O-N 3.04Å; K261-L263 PolarHBondContact O-N 2.85Å; L263-L266 PolarHBondContact O-N 3.4Å; L263-M267 WeakPolarHBondContact O-CB 3.38Å; L263-M267 WeakPolarHBondContact O-CG 2.99Å; L263-M267 PolarHBondContact O-N 2.75Å
264	W	92.5	Very high	89.7	Confident	59 Å²	59	46.4 Å²	46.4	22%	0.223	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-48.8	174.5	170.6	62.2	0	0	0	112.4	T54 F58 L260 K261 L262 L266 M267 S268	T54-W264 PolarHBondContact OG1-NE1 2.88Å; F58-W264 HydrophobicContact CE2-CB 4.45Å; L260-W264 WeakPolarHBondContact O-CB 3.18Å; L260-W264 PolarHBondContact O-N 2.96Å; K261-W264 HydrophobicContact CG-CE3 4.48Å; K261-W264 PolarHBondContact O-N 3.03Å; L262-W264 PolarHBondContact O-N 3.02Å; W264-L266 VanDerWaalsContact C-N 3.31Å; W264-L266 PolarHBondContact O-N 3.47Å; W264-M267 PolarHBondContact O-N 2.76Å; W264-S268 PolarHBondContact NE1-OG 3.12Å; W264-S268 WeakPolarHBondContact O-CB 3.14Å; W264-S268 PolarHBondContact O-N 3.22Å; W264-S268 PolarHBondContact O-OG 2.89Å
265	L	91.4	Very high	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-42.6	179.3	-64.9	173.8	0	0	0	111.4	I42 M50 C249 K261 L262 Q269	I42-L265 HydrophobicContact CD1-CD2 3.65Å; M50-L265 HydrophobicContact CE-CB 3.87Å; M50-L265 HydrophobicContact CE-CD2 3.22Å; M50-L265 HydrophobicContact CE-CG 4.11Å; M50-L265 HydrophobicContact SD-CD2 4.4Å; C249-L265 HydrophobicContact CB-CB 4Å; C249-L265 VanDerWaalsContact SG-C 3.57Å; C249-L265 PolarHBondContact SG-O 3.05Å; C249-L265 VanDerWaalsContact SG-O 3.41Å; K261-L265 HydrophobicContact CG-CD1 4.17Å; K261-L265 HydrophobicContact CG-CG 4.3Å; K261-L265 WeakPolarHBondContact O-CG 3.17Å; K261-L265 PolarHBondContact O-N 3.15Å; L262-L265 PolarHBondContact O-N 3.26Å; L265-Q269 WeakPolarHBondContact O-CG 3.42Å; L265-Q269 PolarHBondContact O-NE2 3.16Å
266	L	92.2	Very high	91.8	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-50.3	-179.9	177.6	74.1	0	0	0	112.2	F117 L144 C249 L262 L263 W264 S268 Q269 N272	F117-L266 HydrophobicContact CE1-CD1 4.24Å; F117-L266 HydrophobicContact CE2-CD1 3.8Å; F117-L266 HydrophobicContact CE2-CD2 3.92Å; F117-L266 HydrophobicContact CE2-CG 4.26Å; F117-L266 HydrophobicContact CZ-CD1 3.42Å; F117-L266 VanDerWaalsContact CZ-CD1 3.42Å; F117-L266 HydrophobicContact CZ-CD2 4.21Å; F117-L266 HydrophobicContact CZ-CG 4.33Å; L144-L266 HydrophobicContact CD1-CD1 4.2Å; L144-L266 HydrophobicContact CD1-CD2 3.81Å; L144-L266 HydrophobicContact CD2-CD2 3.82Å; L144-L266 HydrophobicContact CG-CD2 4.49Å; C249-L266 HydrophobicContact CB-CB 4.11Å; C249-L266 HydrophobicContact CB-CD1 4.37Å; L262-L266 WeakPolarHBondContact O-CB 3.39Å; L262-L266 PolarHBondContact O-N 2.86Å; L263-L266 PolarHBondContact O-N 3.4Å; W264-L266 VanDerWaalsContact C-N 3.31Å; W264-L266 PolarHBondContact O-N 3.47Å; L266-S268 PolarHBondContact O-N 2.92Å; L266-Q269 PolarHBondContact O-N 3.42Å; L266-N272 HydrophobicContact CD1-CB 4.26Å; L266-N272 VanDerWaalsContact CD1-ND2 3.28Å; L266-N272 WeakPolarHBondContact CD1-ND2 3.32Å; L266-N272 PolarHBondContact O-ND2 3.49Å; L266-N272 VanDerWaalsContact O-ND2 3.13Å
267	M	91.9	Very high	92.5	Very high	15 Å²	15	42 Å²	42	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-70.5	-20.3	-177.5	-66.2	-73.2	-84.3	0	0	111.9	F58 R61 A62 V65 L263 W264	F58-M267 HydrophobicContact CD2-CB 3.36Å; F58-M267 HydrophobicContact CD2-CG 4.37Å; F58-M267 HydrophobicContact CE2-CB 3.53Å; F58-M267 HydrophobicContact CE2-CG 4.12Å; F58-M267 HydrophobicContact CG-CB 4.5Å; R61-M267 HydrophobicContact CB-CE 3.37Å; R61-M267 HydrophobicContact CB-SD 4.26Å; R61-M267 PolarHBondContact NH1-O 3.49Å; A62-M267 HydrophobicContact CB-CE 4.29Å; A62-M267 VanDerWaalsContact N-CE 3.33Å; V65-M267 HydrophobicContact CB-CE 4.32Å; V65-M267 HydrophobicContact CG2-CE 3.92Å; V65-M267 HydrophobicContact CG2-SD 4.39Å; L263-M267 WeakPolarHBondContact O-CB 3.38Å; L263-M267 WeakPolarHBondContact O-CG 2.99Å; L263-M267 PolarHBondContact O-N 2.75Å; W264-M267 PolarHBondContact O-N 2.76Å
268	S	92.2	Very high	93.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	15.6	174.8	-52.6	0	0	0	0	113.7	L53 T54 W264 L266	L53-S268 WeakPolarHBondContact CD1-O 3.24Å; T54-S268 PolarHBondContact OG1-OG 3.37Å; W264-S268 PolarHBondContact NE1-OG 3.12Å; W264-S268 WeakPolarHBondContact O-CB 3.14Å; W264-S268 PolarHBondContact O-N 3.22Å; W264-S268 PolarHBondContact O-OG 2.89Å; L266-S268 PolarHBondContact O-N 2.92Å
269	Q	90.6	Very high	93.6	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.056	19%	0.189	C	C	.	.	S	Bend	trans	-101.1	142.4	168.6	-64.1	-49.3	-47.7	0	0	111.7	M50 R61 L265 L266 N271 N272	M50-Q269 PolarHBondContact SD-NE2 3.08Å; M50-Q269 VanDerWaalsContact SD-NE2 3.45Å; R61-Q269 PolarHBondContact NH1-O 3.21Å; R61-Q269 PolarHBondContact NH2-O 3.2Å; L265-Q269 WeakPolarHBondContact O-CG 3.42Å; L265-Q269 PolarHBondContact O-NE2 3.16Å; L266-Q269 PolarHBondContact O-N 3.42Å; Q269-N271 VanDerWaalsContact C-N 3.31Å; Q269-N271 PolarHBondContact O-N 3.01Å; Q269-N272 WeakPolarHBondContact CB-OD1 3.46Å
270	F	90.9	Very high	94	Very high	119 Å²	119	42.7 Å²	42.7	52%	0.522	21%	0.206	S	C	.	.	S	Bend	trans	-57.8	-45	173.6	-72.8	-66.7	0	0	0	112.6	K49 L53 I57 R61 H118	K49-F270 HydrophobicContact CD-CE2 4.13Å; K49-F270 HydrophobicContact CG-CE2 4.33Å; L53-F270 HydrophobicContact CD1-CD1 4.22Å; L53-F270 HydrophobicContact CD1-CD2 4.02Å; L53-F270 HydrophobicContact CD1-CE1 4.11Å; L53-F270 HydrophobicContact CD1-CE2 3.89Å; L53-F270 HydrophobicContact CD1-CG 4.18Å; L53-F270 HydrophobicContact CD1-CZ 3.94Å; L53-F270 HydrophobicContact CD2-CD1 4.2Å; L53-F270 HydrophobicContact CD2-CE1 3.5Å; L53-F270 HydrophobicContact CD2-CE2 4.42Å; L53-F270 HydrophobicContact CD2-CZ 3.64Å; L53-F270 HydrophobicContact CG-CE1 4.43Å; L53-F270 HydrophobicContact CG-CZ 4.27Å; I57-F270 HydrophobicContact CD1-CD1 4.15Å; I57-F270 HydrophobicContact CD1-CE1 4.12Å; R61-F270 PolarHBondContact NH2-O 3.5Å; H118-F270 PolarHBondContact CE1-O 2.91Å
271	N	91.6	Very high	94.3	Very high	49 Å²	49	38.3 Å²	38.3	26%	0.262	19%	0.185	S	C	.	.			trans	-151.9	137.5	-179	177.2	77.1	0	0	0	110.4	G116 H118 Q269 R273	G116-N271 CarbonylContact O-C 3.55Å; G116-N271 WeakPolarHBondContact O-CA 3.24Å; G116-N271 PolarHBondContact O-OD1 3.02Å; H118-N271 WeakPolarHBondContact CB-OD1 3.49Å; H118-N271 PolarHBondContact ND1-OD1 2.73Å; Q269-N271 VanDerWaalsContact C-N 3.31Å; Q269-N271 PolarHBondContact O-N 3.01Å; N271-R273 WeakPolarHBondContact ND2-CG 3.39Å
272	N	93.9	Very high	94.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.011	17%	0.174	C	C	.	.			trans	-111	134.6	172	-59.5	-62.7	0	0	0	108.5	G116 F117 N245 L266 Q269	G116-N272 PolarHBondContact O-N 2.61Å; F117-N272 HydrophobicContact CD1-CB 3.47Å; F117-N272 VanDerWaalsContact CD1-CB 3.47Å; F117-N272 HydrophobicContact CE1-CB 3.38Å; F117-N272 HydrophobicContact CG-CB 4.14Å; F117-N272 HydrophobicContact CZ-CB 4.05Å; N245-N272 WeakPolarHBondContact OD1-CA 3.47Å; L266-N272 HydrophobicContact CD1-CB 4.26Å; L266-N272 VanDerWaalsContact CD1-ND2 3.28Å; L266-N272 WeakPolarHBondContact CD1-ND2 3.32Å; L266-N272 PolarHBondContact O-ND2 3.49Å; L266-N272 VanDerWaalsContact O-ND2 3.13Å; Q269-N272 WeakPolarHBondContact CB-OD1 3.46Å
273	R	95.2	Very high	94.8	Very high	116 Å²	116	42 Å²	42	44%	0.438	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.1	-179.1	-64.9	-174.3	-68.6	-171.4	2.2	110.2	P244 N245 N271	P244-R273 HydrophobicContact CG-CB 4.01Å; P244-R273 PolarHBondContact O-NE 3.29Å; P244-R273 VanDerWaalsContact O-NE 3.16Å; P244-R273 PolarHBondContact O-NH2 2.98Å; N245-R273 PolarHBondContact ND2-O 3.11Å; N245-R273 PolarHBondContact OD1-N 3.23Å; N271-R273 WeakPolarHBondContact ND2-CG 3.39Å
274	L	95.9	Very high	95	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.1	171.5	170.4	58.7	0	0	0	108	W119 I120 K121 L147 I148 V241 W243 I276	W119-L274 PolarHBondContact O-N 3.32Å; I120-L274 CarbonylContact C-O 3.54Å; I120-L274 WeakPolarHBondContact CA-O 3.29Å; I120-L274 HydrophobicContact CG1-CD2 4.46Å; I120-L274 HydrophobicContact CG2-CB 4.5Å; I120-L274 HydrophobicContact CG2-CD2 4.12Å; I120-L274 HydrophobicContact CG2-CG 4.19Å; K121-L274 PolarHBondContact N-O 3.25Å; L147-L274 HydrophobicContact CB-CD2 4.36Å; L147-L274 HydrophobicContact CD2-CD2 3.78Å; L147-L274 HydrophobicContact CG-CD2 3.73Å; I148-L274 HydrophobicContact CG1-CD1 4.34Å; I148-L274 HydrophobicContact CG1-CD2 4.13Å; V241-L274 HydrophobicContact CG1-CD1 3.67Å; W243-L274 HydrophobicContact CD2-CD1 4.07Å; W243-L274 HydrophobicContact CE3-CB 4.04Å; W243-L274 HydrophobicContact CE3-CD1 3.96Å; W243-L274 HydrophobicContact CH2-CB 4.31Å; W243-L274 HydrophobicContact CH2-CD1 3.79Å; W243-L274 HydrophobicContact CH2-CD2 4.05Å; W243-L274 HydrophobicContact CH2-CG 4.26Å; W243-L274 HydrophobicContact CZ2-CD1 3.87Å; W243-L274 HydrophobicContact CZ3-CB 3.68Å; W243-L274 HydrophobicContact CZ3-CD1 3.8Å; W243-L274 HydrophobicContact CZ3-CD2 4.25Å; W243-L274 HydrophobicContact CZ3-CG 4.1Å; L274-I276 HydrophobicContact CD1-CG1 4.2Å; L274-I276 HydrophobicContact CD2-CD1 4.09Å; L274-I276 HydrophobicContact CD2-CG1 4.23Å; L274-I276 HydrophobicContact CG-CD1 4.43Å; L274-I276 HydrophobicContact CG-CG1 4.06Å
275	E	97	Very high	95.2	Very high	38 Å²	38	40 Å²	40	18%	0.178	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.5	167.2	-46.7	-165.1	173.1	0	0	109.6	K121 Q123 V241 R242 P244	K121-E275 HydrophobicContact CB-CB 4.26Å; K121-E275 HydrophobicContact CB-CG 3.96Å; K121-E275 HydrophobicContact CD-CG 4.17Å; K121-E275 IonicContact NZ-OE2 3.86Å; K121-E275 CarbonylContact O-C 3.59Å; K121-E275 VanDerWaalsContact O-CA 3.31Å; K121-E275 WeakPolarHBondContact O-CA 3.22Å; Q123-E275 PolarHBondContact NE2-OE2 2.95Å; V241-E275 WeakPolarHBondContact CA-O 3.16Å; R242-E275 HydrophobicContact CB-CB 4.27Å; R242-E275 PolarHBondContact N-O 3.21Å; R242-E275 PolarHBondContact O-N 3.22Å; P244-E275 HydrophobicContact CG-CG 3.81Å
276	I	97.9	Very high	95.4	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124	174.9	-59.6	169.9	0	0	0	106.4	I120 K121 V122 Q123 I148 A151 V239 I240 L274 F278	I120-I276 HydrophobicContact CG2-CD1 3.99Å; I120-I276 HydrophobicContact CG2-CG1 4.48Å; K121-I276 PolarHBondContact O-N 2.88Å; V122-I276 CarbonylContact C-O 3.45Å; V122-I276 WeakPolarHBondContact CA-O 3.37Å; Q123-I276 PolarHBondContact N-O 3.19Å; I148-I276 HydrophobicContact CG1-CD1 4.47Å; I148-I276 HydrophobicContact CG2-CD1 4.07Å; A151-I276 HydrophobicContact CB-CD1 3.75Å; V239-I276 HydrophobicContact CG1-CG2 3.48Å; V239-I276 VanDerWaalsContact CG1-CG2 3.48Å; I240-I276 WeakPolarHBondContact O-CA 3.49Å; L274-I276 HydrophobicContact CD1-CG1 4.2Å; L274-I276 HydrophobicContact CD2-CD1 4.09Å; L274-I276 HydrophobicContact CD2-CG1 4.23Å; L274-I276 HydrophobicContact CG-CD1 4.43Å; L274-I276 HydrophobicContact CG-CG1 4.06Å; I276-F278 HydrophobicContact CG2-CE2 4.24Å; I276-F278 HydrophobicContact CG2-CZ 4.2Å
277	E	98	Very high	95.5	Very high	36 Å²	36	52.2 Å²	52.2	17%	0.168	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.1	176.3	179.4	-177.8	-174.4	0	0	109.4	Q123 V239 I240 R242 L279	Q123-E277 HydrophobicContact CB-CB 4.23Å; Q123-E277 HydrophobicContact CB-CG 4.18Å; Q123-E277 WeakPolarHBondContact O-CA 3.49Å; V239-E277 CarbonylContact C-O 3.56Å; V239-E277 WeakPolarHBondContact CA-O 3.43Å; I240-E277 HydrophobicContact CB-CB 4.26Å; I240-E277 PolarHBondContact N-O 3.42Å; I240-E277 PolarHBondContact O-N 3.47Å; R242-E277 IonicContact CZ-OE2 3.88Å; R242-E277 IonicContact NH1-OE2 2.82Å; R242-E277 PolarHBondContact NH1-OE2 2.95Å; R242-E277 IonicContact NH2-OE2 3.9Å; R242-E277 PolarHBondContact NH2-OE2 2.97Å; E277-L279 HydrophobicContact CG-CD2 4.14Å
278	F	98.4	Very high	95.7	Very high	19 Å²	19	51.6 Å²	51.6	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.2	171.5	-64.4	-78.4	0	0	0	109.3	V122 Q123 R126 M135 L152 V239 I276	V122-F278 HydrophobicContact CG1-CD2 3.94Å; V122-F278 HydrophobicContact CG1-CE2 3.5Å; V122-F278 VanDerWaalsContact CG1-CE2 3.5Å; Q123-F278 WeakPolarHBondContact O-CD2 3.46Å; Q123-F278 PolarHBondContact O-N 3.03Å; R126-F278 HydrophobicContact CB-CD1 4.03Å; R126-F278 HydrophobicContact CB-CD2 4.36Å; R126-F278 HydrophobicContact CB-CE1 3.71Å; R126-F278 HydrophobicContact CB-CE2 4.03Å; R126-F278 HydrophobicContact CB-CG 4.35Å; R126-F278 HydrophobicContact CB-CZ 3.7Å; R126-F278 HydrophobicContact CG-CD1 4.3Å; R126-F278 HydrophobicContact CG-CE1 3.78Å; R126-F278 HydrophobicContact CG-CZ 4.1Å; M135-F278 HydrophobicContact SD-CE1 4.11Å; L152-F278 HydrophobicContact CD2-CE1 3.62Å; L152-F278 HydrophobicContact CD2-CZ 3.32Å; V239-F278 HydrophobicContact CG1-CD1 4.21Å; V239-F278 HydrophobicContact CG1-CE1 4.27Å; V239-F278 HydrophobicContact CG2-CD1 3.73Å; V239-F278 HydrophobicContact CG2-CE1 4.01Å; I276-F278 HydrophobicContact CG2-CE2 4.24Å; I276-F278 HydrophobicContact CG2-CZ 4.2Å
279	L	98.2	Very high	95.7	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.031	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-78.1	162.6	169.5	-61.6	-167.8	0	0	0	110.5	Q237 P238 I240 E277 I302 H306	Q237-L279 WeakPolarHBondContact CG-O 3.21Å; Q237-L279 PolarHBondContact NE2-O 3.45Å; P238-L279 HydrophobicContact CB-CB 4.11Å; P238-L279 HydrophobicContact CB-CD1 4.08Å; P238-L279 HydrophobicContact CB-CG 4.41Å; P238-L279 HydrophobicContact CG-CB 4.47Å; P238-L279 WeakPolarHBondContact O-CB 3.25Å; P238-L279 PolarHBondContact O-N 2.93Å; I240-L279 HydrophobicContact CD1-CD1 3.63Å; I240-L279 HydrophobicContact CD1-CD2 4.13Å; I240-L279 HydrophobicContact CD1-CG 4.02Å; I240-L279 HydrophobicContact CG1-CD1 4.24Å; I240-L279 HydrophobicContact CG1-CG 4.41Å; E277-L279 HydrophobicContact CG-CD2 4.14Å; L279-I302 HydrophobicContact CD1-CG2 4.07Å; L279-H306 HydrophobicContact CD1-CB 4.27Å; L279-H306 HydrophobicContact CD2-CB 4.4Å; L279-H306 VanDerWaalsContact CD2-CD2 3.41Å; L279-H306 WeakPolarHBondContact CD2-CD2 3.41Å
280	P	97.9	Very high	95.8	Very high	107 Å²	107	63.2 Å²	63.2	70%	0.695	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-54	148.8	171.7	-26	35.8	0	0	0	111.9	P238 Y282	P238-P280 WeakPolarHBondContact CD-O 3.33Å; P280-Y282 PolarHBondContact O-N 2.71Å
281	V	98.3	Very high	95.9	Very high	55 Å²	55	61.2 Å²	61.2	33%	0.333	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-60.2	129.5	174	178.5	0	0	0	0	108.9	A127 A132 P235 Q237	A127-V281 HydrophobicContact CB-CG2 3.35Å; A132-V281 HydrophobicContact CB-CG1 3.96Å; A132-V281 HydrophobicContact CB-CG2 4.03Å; P235-V281 HydrophobicContact CB-CG1 3.87Å; Q237-V281 HydrophobicContact CB-CG2 4.45Å
282	Y	97.8	Very high	95.9	Very high	51 Å²	51	59.5 Å²	59.5	20%	0.2	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-96.1	122.4	176.1	-168.6	-81.5	0	0	0	109.8	P235 V236 P280 E288 Y295 I299 I302	P235-Y282 WeakPolarHBondContact CA-O 3.42Å; V236-Y282 PolarHBondContact N-O 2.73Å; V236-Y282 VanDerWaalsContact N-O 3.16Å; V236-Y282 PolarHBondContact O-N 3.17Å; P280-Y282 PolarHBondContact O-N 2.71Å; Y282-E288 WeakPolarHBondContact CE1-OE2 3.33Å; Y282-E288 PolarHBondContact OH-OE1 2.87Å; Y282-E288 PolarHBondContact OH-OE2 3.45Å; Y282-Y295 HydrophobicContact CD1-CD2 4.27Å; Y282-Y295 AromaticContact CD1-CE2 3.42Å; Y282-Y295 HydrophobicContact CD1-CE2 3.42Å; Y282-Y295 VanDerWaalsContact CD1-CE2 3.42Å; Y282-Y295 AromaticContact CE1-CD2 3.96Å; Y282-Y295 HydrophobicContact CE1-CD2 3.96Å; Y282-Y295 AromaticContact CE1-CE2 3.57Å; Y282-Y295 HydrophobicContact CE1-CE2 3.57Å; Y282-Y295 HydrophobicContact CG-CE2 4.47Å; Y282-I299 VanDerWaalsContact CB-CD1 3.46Å; Y282-I299 HydrophobicContact CD1-CD1 3.49Å; Y282-I299 VanDerWaalsContact CD1-CD1 3.49Å; Y282-I299 HydrophobicContact CD1-CG1 4.45Å; Y282-I299 HydrophobicContact CD2-CD1 3.59Å; Y282-I299 HydrophobicContact CE1-CD1 4Å; Y282-I299 HydrophobicContact CE2-CD1 4.13Å; Y282-I299 HydrophobicContact CG-CD1 3.21Å; Y282-I302 HydrophobicContact CD2-CD1 3.64Å; Y282-I302 HydrophobicContact CE2-CD1 3.33Å
283	Q	97.1	Very high	95.8	Very high	124 Å²	124	62.5 Å²	62.5	58%	0.579	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-95.3	117.8	176.6	-175.9	64.4	46.6	0	0	109.1
284	P	96.7	Very high	95.6	Very high	4 Å²	4	59.9 Å²	59.9	3%	0.026	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-71	136.6	178.9	28.2	-33.9	0	0	0	111.3	E288 Q289 Y295	P284-E288 VanDerWaalsContact CA-OE2 3.29Å; P284-E288 WeakPolarHBondContact CA-OE2 3.03Å; P284-E288 HydrophobicContact CB-CB 3.96Å; P284-Q289 HydrophobicContact CB-CG 4.03Å; P284-Q289 HydrophobicContact CG-CG 4.03Å; P284-Q289 PolarHBondContact O-NE2 3.49Å; P284-Y295 HydrophobicContact CB-CD1 4.08Å; P284-Y295 HydrophobicContact CB-CD2 4.35Å; P284-Y295 HydrophobicContact CB-CE1 3.73Å; P284-Y295 HydrophobicContact CB-CE2 4.05Å; P284-Y295 HydrophobicContact CB-CG 4.39Å; P284-Y295 HydrophobicContact CG-CE1 3.96Å
285	N	96	Very high	95.6	Very high	77 Å²	77	59.9 Å²	59.9	41%	0.412	31%	0.307	S	S	.	.			trans	-76	175.6	171.2	70.7	15.7	0	0	0	111.7	D287 E288 Q289	N285-D287 VanDerWaalsContact C-N 3.31Å; N285-D287 PolarHBondContact O-N 3.45Å; N285-D287 PolarHBondContact OD1-N 3.29Å; N285-E288 PolarHBondContact N-OE2 2.85Å; N285-E288 PolarHBondContact O-N 2.88Å; N285-E288 WeakPolarHBondContact OD1-CB 3.36Å; N285-E288 WeakPolarHBondContact OD1-CG 3.46Å; N285-E288 PolarHBondContact OD1-N 3.08Å; N285-E288 PolarHBondContact OD1-OE2 2.91Å; N285-Q289 VanDerWaalsContact O-CG 3.27Å; N285-Q289 WeakPolarHBondContact O-CG 3.35Å; N285-Q289 PolarHBondContact O-N 2.9Å
286	E	95.6	Very high	95.5	Very high	159 Å²	159	58 Å²	58	74%	0.743	30%	0.299	S	S	*	.	H	α-helix	trans	-59.8	-40.2	-177.9	-65	-177.1	177.9	0	0	112.4	Q289 L290	E286-Q289 PolarHBondContact O-N 3.37Å; E286-L290 WeakPolarHBondContact O-CG 3.36Å; E286-L290 PolarHBondContact O-N 3.38Å; E286-L290 VanDerWaalsContact O-N 3.17Å
287	D	95	Very high	95.2	Very high	104 Å²	104	59.7 Å²	59.7	56%	0.556	31%	0.308	S	S	*	.	H	α-helix	trans	-65.4	-41.7	178.6	-62.7	-36.8	0	0	0	112	N285 Q289 L290 D291 L294	N285-D287 VanDerWaalsContact C-N 3.31Å; N285-D287 PolarHBondContact O-N 3.45Å; N285-D287 PolarHBondContact OD1-N 3.29Å; D287-Q289 VanDerWaalsContact C-N 3.34Å; D287-L290 PolarHBondContact O-N 3.45Å; D287-D291 PolarHBondContact O-N 3.41Å; D287-L294 HydrophobicContact CB-CD2 4.11Å
288	E	94.9	Very high	95.1	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-70.2	-29.1	177	-73.9	172.5	145	0	0	112.8	Y282 P284 N285 L290 D291 L294 Y295 N298	Y282-E288 WeakPolarHBondContact CE1-OE2 3.33Å; Y282-E288 PolarHBondContact OH-OE1 2.87Å; Y282-E288 PolarHBondContact OH-OE2 3.45Å; P284-E288 VanDerWaalsContact CA-OE2 3.29Å; P284-E288 WeakPolarHBondContact CA-OE2 3.03Å; P284-E288 HydrophobicContact CB-CB 3.96Å; N285-E288 PolarHBondContact N-OE2 2.85Å; N285-E288 PolarHBondContact O-N 2.88Å; N285-E288 WeakPolarHBondContact OD1-CB 3.36Å; N285-E288 WeakPolarHBondContact OD1-CG 3.46Å; N285-E288 PolarHBondContact OD1-N 3.08Å; N285-E288 PolarHBondContact OD1-OE2 2.91Å; E288-L290 VanDerWaalsContact C-N 3.31Å; E288-D291 CarbonylContact O-C 3.57Å; E288-L294 HydrophobicContact CG-CD2 4.33Å; E288-L294 HydrophobicContact CG-CG 4.22Å; E288-Y295 HydrophobicContact CB-CD2 4.36Å; E288-Y295 HydrophobicContact CB-CG 4.07Å; E288-N298 WeakPolarHBondContact OE1-CB 3.42Å; E288-N298 PolarHBondContact OE1-ND2 3.26Å
289	Q	92.8	Very high	95.1	Very high	99 Å²	99	58.2 Å²	58.2	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-70.4	-31.3	172.6	-72	174.7	40.2	0	0	111.7	P284 N285 E286 D287	P284-Q289 HydrophobicContact CB-CG 4.03Å; P284-Q289 HydrophobicContact CG-CG 4.03Å; P284-Q289 PolarHBondContact O-NE2 3.49Å; N285-Q289 VanDerWaalsContact O-CG 3.27Å; N285-Q289 WeakPolarHBondContact O-CG 3.35Å; N285-Q289 PolarHBondContact O-N 2.9Å; E286-Q289 PolarHBondContact O-N 3.37Å; D287-Q289 VanDerWaalsContact C-N 3.34Å
290	L	93.3	Very high	95	Very high	158 Å²	158	58.4 Å²	58.4	83%	0.827	30%	0.302	S	S	*	.	H	α-helix	trans	-83.7	-35.2	175.9	-66.1	172.8	0	0	0	112.4	E286 D287 E288	E286-L290 WeakPolarHBondContact O-CG 3.36Å; E286-L290 PolarHBondContact O-N 3.38Å; E286-L290 VanDerWaalsContact O-N 3.17Å; D287-L290 PolarHBondContact O-N 3.45Å; E288-L290 VanDerWaalsContact C-N 3.31Å
291	D	92.2	Very high	94.9	Very high	77 Å²	77	59 Å²	59	41%	0.412	29%	0.291	S	S	.	.			trans	-117.1	95.7	179.6	-173.5	-11.9	0	0	0	111.6	D287 E288 Q293 L294 Y295	D287-D291 PolarHBondContact O-N 3.41Å; E288-D291 CarbonylContact O-C 3.57Å; D291-Q293 PolarHBondContact O-N 2.78Å; D291-Q293 WeakPolarHBondContact OD1-CA 3.03Å; D291-Q293 WeakPolarHBondContact OD1-CB 3.31Å; D291-Q293 PolarHBondContact OD1-N 2.98Å; D291-L294 HydrophobicContact CB-CB 3.84Å; D291-L294 WeakPolarHBondContact O-CB 3.09Å; D291-L294 PolarHBondContact O-N 3.42Å; D291-L294 PolarHBondContact OD1-N 3.35Å; D291-Y295 PolarHBondContact O-N 2.82Å
292	A	92.8	Very high	94.9	Very high	12 Å²	12	58.2 Å²	58.2	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-24.5	177.5	0	0	0	0	0	113.9	P227 F230 N231 A296	P227-A292 HydrophobicContact CB-CB 4.12Å; F230-A292 HydrophobicContact CB-CB 4.14Å; N231-A292 WeakPolarHBondContact OD1-CB 3.5Å; A292-A296 VanDerWaalsContact O-CB 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.47Å; A292-A296 PolarHBondContact O-N 3.18Å
293	Q	90.1	Very high	94.9	Very high	66 Å²	66	55.8 Å²	55.8	31%	0.308	27%	0.274	S	S	.	.	H	α-helix	trans	-76.2	-39.7	177.1	-171.6	63.2	41.4	0	0	110.5	D291 Y295 A296 N297	D291-Q293 PolarHBondContact O-N 2.78Å; D291-Q293 WeakPolarHBondContact OD1-CA 3.03Å; D291-Q293 WeakPolarHBondContact OD1-CB 3.31Å; D291-Q293 PolarHBondContact OD1-N 2.98Å; Q293-Y295 VanDerWaalsContact C-N 3.33Å; Q293-A296 PolarHBondContact O-N 3.41Å; Q293-N297 WeakPolarHBondContact O-CB 3.13Å; Q293-N297 VanDerWaalsContact O-CG 3.29Å; Q293-N297 PolarHBondContact O-N 2.53Å; Q293-N297 PolarHBondContact O-ND2 3.21Å
294	L	91.8	Very high	94.8	Very high	61 Å²	61	50.1 Å²	50.1	32%	0.319	25%	0.249	S	C	.	.	H	α-helix	trans	-58.2	-48	170.5	178.4	61.9	0	0	0	110.5	D287 E288 D291 A296 N297 N298	D287-L294 HydrophobicContact CB-CD2 4.11Å; E288-L294 HydrophobicContact CG-CD2 4.33Å; E288-L294 HydrophobicContact CG-CG 4.22Å; D291-L294 HydrophobicContact CB-CB 3.84Å; D291-L294 WeakPolarHBondContact O-CB 3.09Å; D291-L294 PolarHBondContact O-N 3.42Å; D291-L294 PolarHBondContact OD1-N 3.35Å; L294-A296 PolarHBondContact O-N 2.73Å; L294-N297 PolarHBondContact O-N 3Å; L294-N298 PolarHBondContact O-N 3.19Å
295	Y	96.1	Very high	94.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-49.2	177.2	-171.7	-168.3	0	0	0	111.9	F230 V234 V236 Y282 P284 E288 D291 Q293 N297 N298 I299	F230-Y295 HydrophobicContact CB-CD1 3.66Å; F230-Y295 HydrophobicContact CB-CE1 4.33Å; F230-Y295 HydrophobicContact CB-CG 4.13Å; F230-Y295 AromaticContact CD1-CD1 3.75Å; F230-Y295 HydrophobicContact CD1-CD1 3.75Å; F230-Y295 HydrophobicContact CD1-CD2 4.18Å; F230-Y295 AromaticContact CD1-CE1 3.9Å; F230-Y295 HydrophobicContact CD1-CE1 3.9Å; F230-Y295 HydrophobicContact CD1-CE2 4.28Å; F230-Y295 AromaticContact CD1-CG 3.89Å; F230-Y295 HydrophobicContact CD1-CG 3.89Å; F230-Y295 HydrophobicContact CG-CD1 4.16Å; F230-Y295 HydrophobicContact CG-CG 4.36Å; V234-Y295 PolarHBondContact O-OH 3.29Å; V236-Y295 HydrophobicContact CG1-CE1 4.39Å; V236-Y295 WeakPolarHBondContact CG1-OH 2.98Å; V236-Y295 HydrophobicContact CG2-CE2 4.28Å; V236-Y295 WeakPolarHBondContact CG2-OH 2.85Å; V236-Y295 PolarHBondContact N-OH 2.7Å; Y282-Y295 HydrophobicContact CD1-CD2 4.27Å; Y282-Y295 AromaticContact CD1-CE2 3.42Å; Y282-Y295 HydrophobicContact CD1-CE2 3.42Å; Y282-Y295 VanDerWaalsContact CD1-CE2 3.42Å; Y282-Y295 AromaticContact CE1-CD2 3.96Å; Y282-Y295 HydrophobicContact CE1-CD2 3.96Å; Y282-Y295 AromaticContact CE1-CE2 3.57Å; Y282-Y295 HydrophobicContact CE1-CE2 3.57Å; Y282-Y295 HydrophobicContact CG-CE2 4.47Å; P284-Y295 HydrophobicContact CB-CD1 4.08Å; P284-Y295 HydrophobicContact CB-CD2 4.35Å; P284-Y295 HydrophobicContact CB-CE1 3.73Å; P284-Y295 HydrophobicContact CB-CE2 4.05Å; P284-Y295 HydrophobicContact CB-CG 4.39Å; P284-Y295 HydrophobicContact CG-CE1 3.96Å; E288-Y295 HydrophobicContact CB-CD2 4.36Å; E288-Y295 HydrophobicContact CB-CG 4.07Å; D291-Y295 PolarHBondContact O-N 2.82Å; Q293-Y295 VanDerWaalsContact C-N 3.33Å; Y295-N297 VanDerWaalsContact C-N 3.29Å; Y295-N297 PolarHBondContact O-N 2.64Å; Y295-N298 PolarHBondContact O-N 2.87Å; Y295-I299 HydrophobicContact CD2-CD1 4.44Å; Y295-I299 HydrophobicContact CD2-CG1 3.82Å; Y295-I299 HydrophobicContact CE2-CD1 3.84Å; Y295-I299 HydrophobicContact CE2-CG1 3.58Å; Y295-I299 WeakPolarHBondContact O-CG1 3.27Å; Y295-I299 PolarHBondContact O-N 3.37Å; Y295-I299 VanDerWaalsContact O-N 3.11Å
296	A	94.6	Very high	94.9	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-42.9	176.9	0	0	0	0	0	112.2	F225 F230 A292 Q293 L294 R300	F225-A296 HydrophobicContact CB-CB 4.03Å; F230-A296 HydrophobicContact CD2-CB 3.36Å; F230-A296 HydrophobicContact CE2-CB 3.52Å; F230-A296 HydrophobicContact CG-CB 3.97Å; F230-A296 HydrophobicContact CZ-CB 4.25Å; A292-A296 VanDerWaalsContact O-CB 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.47Å; A292-A296 PolarHBondContact O-N 3.18Å; Q293-A296 PolarHBondContact O-N 3.41Å; L294-A296 PolarHBondContact O-N 2.73Å; A296-R300 WeakPolarHBondContact O-CB 3.37Å; A296-R300 PolarHBondContact O-N 2.79Å
297	N	92.6	Very high	94.9	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-40.4	-179.5	-79.1	-33.6	0	0	0	112.9	Q293 L294 Y295 R300 R301	Q293-N297 WeakPolarHBondContact O-CB 3.13Å; Q293-N297 VanDerWaalsContact O-CG 3.29Å; Q293-N297 PolarHBondContact O-N 2.53Å; Q293-N297 PolarHBondContact O-ND2 3.21Å; L294-N297 PolarHBondContact O-N 3Å; Y295-N297 VanDerWaalsContact C-N 3.29Å; Y295-N297 PolarHBondContact O-N 2.64Å; N297-R300 WeakPolarHBondContact O-CB 3.22Å; N297-R300 PolarHBondContact O-N 3.37Å; N297-R300 PolarHBondContact OD1-NH2 2.8Å; N297-R301 PolarHBondContact O-N 3.17Å
298	N	95.9	Very high	94.9	Very high	25 Å²	25	51.9 Å²	51.9	13%	0.134	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-44.7	177.7	-76.7	-25.2	0	0	0	111.5	E288 L294 Y295 R300 R301 I302	E288-N298 WeakPolarHBondContact OE1-CB 3.42Å; E288-N298 PolarHBondContact OE1-ND2 3.26Å; L294-N298 PolarHBondContact O-N 3.19Å; Y295-N298 PolarHBondContact O-N 2.87Å; N298-R300 PolarHBondContact O-N 3.33Å; N298-R301 PolarHBondContact O-N 3.29Å; N298-R301 PolarHBondContact OD1-NH2 3.23Å; N298-I302 WeakPolarHBondContact O-CG1 3.29Å; N298-I302 PolarHBondContact O-N 3.18Å; N298-I302 VanDerWaalsContact O-N 3.11Å
299	I	97.1	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-45.2	173.9	-64.3	-62.4	0	0	0	111.1	V136 F225 F230 V236 P238 Y282 Y295 R301 I302 M303	V136-I299 HydrophobicContact CG2-CG2 3.85Å; F225-I299 HydrophobicContact CE2-CG2 4.19Å; F230-I299 HydrophobicContact CE1-CB 4.11Å; F230-I299 HydrophobicContact CE1-CG1 3.9Å; F230-I299 HydrophobicContact CE1-CG2 4.28Å; F230-I299 HydrophobicContact CZ-CB 4.42Å; F230-I299 HydrophobicContact CZ-CG2 4.41Å; V236-I299 HydrophobicContact CG2-CD1 3.95Å; V236-I299 HydrophobicContact CG2-CG1 4.19Å; P238-I299 HydrophobicContact CB-CG2 4.4Å; P238-I299 HydrophobicContact CG-CD1 4.13Å; P238-I299 HydrophobicContact CG-CG2 4.1Å; Y282-I299 VanDerWaalsContact CB-CD1 3.46Å; Y282-I299 HydrophobicContact CD1-CD1 3.49Å; Y282-I299 VanDerWaalsContact CD1-CD1 3.49Å; Y282-I299 HydrophobicContact CD1-CG1 4.45Å; Y282-I299 HydrophobicContact CD2-CD1 3.59Å; Y282-I299 HydrophobicContact CE1-CD1 4Å; Y282-I299 HydrophobicContact CE2-CD1 4.13Å; Y282-I299 HydrophobicContact CG-CD1 3.21Å; Y295-I299 HydrophobicContact CD2-CD1 4.44Å; Y295-I299 HydrophobicContact CD2-CG1 3.82Å; Y295-I299 HydrophobicContact CE2-CD1 3.84Å; Y295-I299 HydrophobicContact CE2-CG1 3.58Å; Y295-I299 WeakPolarHBondContact O-CG1 3.27Å; Y295-I299 PolarHBondContact O-N 3.37Å; Y295-I299 VanDerWaalsContact O-N 3.11Å; I299-R301 VanDerWaalsContact C-N 3.3Å; I299-R301 PolarHBondContact O-N 3.04Å; I299-I302 PolarHBondContact O-N 3.26Å; I299-M303 HydrophobicContact CG2-CG 4.25Å; I299-M303 HydrophobicContact CG2-SD 3.89Å; I299-M303 VanDerWaalsContact O-CG 3.32Å; I299-M303 WeakPolarHBondContact O-CG 3.39Å; I299-M303 PolarHBondContact O-N 2.86Å
300	R	96.1	Very high	94.7	Very high	10 Å²	10	51.5 Å²	51.5	4%	0.038	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-45.1	177.5	-171.3	179.3	57	134.2	-7.5	111.9	I222 A223 F225 A296 N297 N298 M303 A304 L311 C312 D313	I222-R300 HydrophobicContact CB-CG 4.36Å; I222-R300 HydrophobicContact CG2-CG 3.5Å; I222-R300 VanDerWaalsContact CG2-CG 3.5Å; A223-R300 VanDerWaalsContact O-CD 3.25Å; A223-R300 WeakPolarHBondContact O-CD 3.44Å; F225-R300 HydrophobicContact CD1-CB 4.37Å; F225-R300 HydrophobicContact CD1-CG 3.98Å; F225-R300 HydrophobicContact CD2-CB 3.67Å; F225-R300 HydrophobicContact CD2-CG 4.17Å; F225-R300 HydrophobicContact CE1-CB 4.45Å; F225-R300 HydrophobicContact CE1-CG 3.96Å; F225-R300 HydrophobicContact CE2-CB 3.77Å; F225-R300 HydrophobicContact CE2-CG 4.15Å; F225-R300 HydrophobicContact CG-CB 3.98Å; F225-R300 HydrophobicContact CG-CG 4.09Å; F225-R300 HydrophobicContact CZ-CB 4.17Å; F225-R300 HydrophobicContact CZ-CG 4.03Å; A296-R300 WeakPolarHBondContact O-CB 3.37Å; A296-R300 PolarHBondContact O-N 2.79Å; N297-R300 WeakPolarHBondContact O-CB 3.22Å; N297-R300 PolarHBondContact O-N 3.37Å; N297-R300 PolarHBondContact OD1-NH2 2.8Å; N298-R300 PolarHBondContact O-N 3.33Å; R300-M303 PolarHBondContact O-N 3.41Å; R300-A304 WeakPolarHBondContact O-CB 3.22Å; R300-A304 PolarHBondContact O-N 3.16Å; R300-L311 HydrophobicContact CG-CD2 3.79Å; R300-C312 PolarHBondContact NH1-O 2.97Å; R300-D313 IonicContact CZ-OD1 3.59Å; R300-D313 IonicContact NH1-OD1 2.71Å; R300-D313 PolarHBondContact NH1-OD1 3.3Å; R300-D313 IonicContact NH2-OD1 3.34Å; R300-D313 PolarHBondContact NH2-OD1 3.25Å
301	R	96	Very high	94.6	Very high	120 Å²	120	46.9 Å²	46.9	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-49	176.9	-178.6	178.7	62.8	-143.8	-11.1	111.5	N297 N298 I299 M303 A304 E305	N297-R301 PolarHBondContact O-N 3.17Å; N298-R301 PolarHBondContact O-N 3.29Å; N298-R301 PolarHBondContact OD1-NH2 3.23Å; I299-R301 VanDerWaalsContact C-N 3.3Å; I299-R301 PolarHBondContact O-N 3.04Å; R301-M303 VanDerWaalsContact C-N 3.3Å; R301-M303 PolarHBondContact O-N 3.34Å; R301-A304 PolarHBondContact O-N 3.02Å; R301-E305 WeakPolarHBondContact CG-OE1 3.39Å; R301-E305 WeakPolarHBondContact O-CG 3.34Å; R301-E305 PolarHBondContact O-N 3.31Å
302	I	97.5	Very high	94.3	Very high	37 Å²	37	43.3 Å²	43.3	19%	0.19	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-43	178.7	-69	166.4	0	0	0	111.1	L279 Y282 N298 I299 E305 H306	L279-I302 HydrophobicContact CD1-CG2 4.07Å; Y282-I302 HydrophobicContact CD2-CD1 3.64Å; Y282-I302 HydrophobicContact CE2-CD1 3.33Å; N298-I302 WeakPolarHBondContact O-CG1 3.29Å; N298-I302 PolarHBondContact O-N 3.18Å; N298-I302 VanDerWaalsContact O-N 3.11Å; I299-I302 PolarHBondContact O-N 3.26Å; I302-E305 PolarHBondContact O-N 2.94Å; I302-H306 PolarHBondContact O-N 3.15Å; I302-H306 VanDerWaalsContact O-N 3.16Å; I302-H306 PolarHBondContact O-ND1 3.23Å
303	M	98	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-40.2	178.5	-66.3	-177.8	87.5	0	0	112	V136 A138 F225 P238 V239 I240 I299 R300 R301 H306 L307	V136-M303 HydrophobicContact CG2-SD 4.41Å; A138-M303 HydrophobicContact CB-CE 3.51Å; A138-M303 HydrophobicContact CB-SD 4.05Å; F225-M303 HydrophobicContact CE2-SD 3.78Å; F225-M303 HydrophobicContact CZ-SD 3.79Å; P238-M303 HydrophobicContact CB-CE 4.18Å; P238-M303 HydrophobicContact CB-CG 3.87Å; P238-M303 HydrophobicContact CB-SD 4Å; V239-M303 VanDerWaalsContact O-CE 3.24Å; V239-M303 WeakPolarHBondContact O-CE 2.92Å; I240-M303 HydrophobicContact CG1-CE 4.13Å; I299-M303 HydrophobicContact CG2-CG 4.25Å; I299-M303 HydrophobicContact CG2-SD 3.89Å; I299-M303 VanDerWaalsContact O-CG 3.32Å; I299-M303 WeakPolarHBondContact O-CG 3.39Å; I299-M303 PolarHBondContact O-N 2.86Å; R300-M303 PolarHBondContact O-N 3.41Å; R301-M303 VanDerWaalsContact C-N 3.3Å; R301-M303 PolarHBondContact O-N 3.34Å; M303-H306 PolarHBondContact O-N 3.07Å; M303-L307 WeakPolarHBondContact O-CB 3.44Å; M303-L307 WeakPolarHBondContact O-CG 3.48Å; M303-L307 PolarHBondContact O-N 3.48Å
304	A	96.4	Very high	93.2	Very high	5 Å²	5	41 Å²	41	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-41.1	176.5	0	0	0	0	0	112.2	I222 R300 R301 L307 N308 V309 L311	I222-A304 HydrophobicContact CB-CB 4.41Å; I222-A304 HydrophobicContact CG1-CB 4.08Å; R300-A304 WeakPolarHBondContact O-CB 3.22Å; R300-A304 PolarHBondContact O-N 3.16Å; R301-A304 PolarHBondContact O-N 3.02Å; A304-L307 PolarHBondContact O-N 3.16Å; A304-N308 PolarHBondContact O-N 3.27Å; A304-V309 PolarHBondContact O-N 3.05Å; A304-V309 VanDerWaalsContact O-N 3.13Å; A304-L311 HydrophobicContact CB-CD2 3.5Å; A304-L311 VanDerWaalsContact CB-CD2 3.5Å; A304-L311 HydrophobicContact CB-CG 4.19Å
305	E	97.1	Very high	92.4	Very high	121 Å²	121	39.7 Å²	39.7	57%	0.565	20%	0.202	S	C	*	.	H	α-helix	trans	-60.3	-47.3	175.3	-73.2	168	-172.5	0	0	111.9	R301 I302 L307 N308	R301-E305 WeakPolarHBondContact CG-OE1 3.39Å; R301-E305 WeakPolarHBondContact O-CG 3.34Å; R301-E305 PolarHBondContact O-N 3.31Å; I302-E305 PolarHBondContact O-N 2.94Å; E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 PolarHBondContact O-N 2.94Å; E305-N308 PolarHBondContact O-N 3.45Å; E305-N308 VanDerWaalsContact O-N 3.13Å
306	H	96.8	Very high	91.2	Very high	85 Å²	85	41.4 Å²	41.4	39%	0.394	21%	0.209	S	C	.	.	H	α-helix	trans	-71.6	-26.6	179.1	-74	79.2	0	0	0	113.3	I240 R242 L279 I302 M303 N308	I240-H306 HydrophobicContact CD1-CB 3.21Å; R242-H306 PolarHBondContact NH2-O 3.15Å; L279-H306 HydrophobicContact CD1-CB 4.27Å; L279-H306 HydrophobicContact CD2-CB 4.4Å; L279-H306 VanDerWaalsContact CD2-CD2 3.41Å; L279-H306 WeakPolarHBondContact CD2-CD2 3.41Å; I302-H306 PolarHBondContact O-N 3.15Å; I302-H306 VanDerWaalsContact O-N 3.16Å; I302-H306 PolarHBondContact O-ND1 3.23Å; M303-H306 PolarHBondContact O-N 3.07Å; H306-N308 VanDerWaalsContact C-N 3.32Å
307	L	95.8	Very high	90.4	Very high	27 Å²	27	42.8 Å²	42.8	14%	0.141	22%	0.217	C	C	.	.	H	α-helix	trans	-79.8	-16	171.3	-82.4	165	0	0	0	113	I222 I240 R242 M303 A304 E305 V309	I222-L307 HydrophobicContact CD1-CD1 3.57Å; I222-L307 HydrophobicContact CG1-CD1 4.19Å; I240-L307 HydrophobicContact CD1-CG 4.17Å; I240-L307 HydrophobicContact CG1-CD1 4.44Å; I240-L307 HydrophobicContact CG1-CG 4.28Å; I240-L307 HydrophobicContact CG2-CD1 4.18Å; I240-L307 HydrophobicContact CG2-CD2 3.33Å; I240-L307 HydrophobicContact CG2-CG 3.57Å; R242-L307 HydrophobicContact CG-CD2 4.06Å; M303-L307 WeakPolarHBondContact O-CB 3.44Å; M303-L307 WeakPolarHBondContact O-CG 3.48Å; M303-L307 PolarHBondContact O-N 3.48Å; A304-L307 PolarHBondContact O-N 3.16Å; E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 PolarHBondContact O-N 2.94Å; L307-V309 VanDerWaalsContact C-N 3.32Å; L307-V309 HydrophobicContact CB-CG1 4.32Å; L307-V309 HydrophobicContact CB-CG2 3.72Å; L307-V309 HydrophobicContact CD1-CG2 4.49Å
308	N	95.1	Very high	89.9	Confident	149 Å²	149	41.2 Å²	41.2	80%	0.797	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	47.2	-171.1	-167.6	47	0	0	0	112.3	A304 E305 H306	A304-N308 PolarHBondContact O-N 3.27Å; E305-N308 PolarHBondContact O-N 3.45Å; E305-N308 VanDerWaalsContact O-N 3.13Å; H306-N308 VanDerWaalsContact C-N 3.32Å
309	V	93.2	Very high	89	Confident	34 Å²	34	40.7 Å²	40.7	21%	0.206	21%	0.205	C	C	.	.			trans	-129	151	177.7	-60.6	0	0	0	0	110.5	I222 A304 L307	I222-V309 HydrophobicContact CD1-CG2 4.35Å; I222-V309 HydrophobicContact CG1-CG2 3.77Å; A304-V309 PolarHBondContact O-N 3.05Å; A304-V309 VanDerWaalsContact O-N 3.13Å; L307-V309 VanDerWaalsContact C-N 3.32Å; L307-V309 HydrophobicContact CB-CG1 4.32Å; L307-V309 HydrophobicContact CB-CG2 3.72Å; L307-V309 HydrophobicContact CD1-CG2 4.49Å
310	P	91.3	Very high	88.2	Confident	59 Å²	59	40.9 Å²	40.9	38%	0.383	21%	0.206	S	C	.	.			trans	-70.3	164.3	178.3	27.2	-34	0	0	0	113.1	F33 S220 C221 I222	F33-P310 HydrophobicContact CD2-CG 3.52Å; F33-P310 HydrophobicContact CE2-CG 3.52Å; F33-P310 HydrophobicContact CG-CG 4.41Å; F33-P310 HydrophobicContact CZ-CG 4.4Å; S220-P310 WeakPolarHBondContact O-CD 3.39Å; C221-P310 CarbonylContact C-O 3.25Å; C221-P310 WeakPolarHBondContact CA-O 3.48Å; C221-P310 HydrophobicContact CB-CG 4.05Å; C221-P310 WeakPolarHBondContact CB-O 3.44Å; I222-P310 PolarHBondContact N-O 3.43Å
311	L	89.5	Confident	87.8	Confident	61 Å²	61	40.6 Å²	40.6	32%	0.319	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	144.8	169.5	-63.7	175.3	0	0	0	110.4	I222 R300 A304	I222-L311 HydrophobicContact CB-CD2 4.4Å; R300-L311 HydrophobicContact CG-CD2 3.79Å; A304-L311 HydrophobicContact CB-CD2 3.5Å; A304-L311 VanDerWaalsContact CB-CD2 3.5Å; A304-L311 HydrophobicContact CB-CG 4.19Å
312	C	86.2	Confident	87.3	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.7	172	-178.1	0	0	0	0	110.1	C221 I222 T224 R300 L314	C221-C312 HydrophobicContact CB-CB 4Å; C221-C312 WeakPolarHBondContact SG-CB 3.4Å; I222-C312 PolarHBondContact O-N 3.43Å; T224-C312 PolarHBondContact N-O 3.17Å; T224-C312 PolarHBondContact OG1-O 3.38Å; R300-C312 PolarHBondContact NH1-O 2.97Å; C312-L314 VanDerWaalsContact C-N 3.31Å
313	D	82.7	Confident	86.6	Confident	20 Å²	20	38 Å²	38	11%	0.107	19%	0.194	C	C	.	.			trans	-91.1	8.8	177.4	-67	-30.4	0	0	0	113.2	T224 R300 K401 Y404	T224-D313 WeakPolarHBondContact OG1-CA 3.33Å; R300-D313 IonicContact CZ-OD1 3.59Å; R300-D313 IonicContact NH1-OD1 2.71Å; R300-D313 PolarHBondContact NH1-OD1 3.3Å; R300-D313 IonicContact NH2-OD1 3.34Å; R300-D313 PolarHBondContact NH2-OD1 3.25Å; D313-K401 HydrophobicContact CB-CG 4.37Å; D313-K401 WeakPolarHBondContact O-CE 3.26Å; D313-Y404 HydrophobicContact CB-CD1 3.66Å; D313-Y404 HydrophobicContact CB-CD2 4.4Å; D313-Y404 HydrophobicContact CB-CE1 4.04Å; D313-Y404 HydrophobicContact CB-CG 3.85Å
314	L	77.2	Confident	86.1	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.047	20%	0.195	C	C	.	.			trans	-77.5	133.9	174.1	-58.7	176.8	0	0	0	110.5	C312 D318 Y338 Y404 L405 L408	C312-L314 VanDerWaalsContact C-N 3.31Å; L314-D318 HydrophobicContact CB-CB 4.32Å; L314-D318 HydrophobicContact CD2-CB 4.28Å; L314-Y338 HydrophobicContact CD1-CE1 3.59Å; L314-Y338 HydrophobicContact CD2-CD1 3.76Å; L314-Y338 HydrophobicContact CD2-CE1 3.47Å; L314-Y338 VanDerWaalsContact CD2-CE1 3.47Å; L314-Y338 HydrophobicContact CG-CE1 4.18Å; L314-Y404 HydrophobicContact CD2-CE1 4.09Å; L314-Y404 HydrophobicContact CG-CE1 4.02Å; L314-L405 HydrophobicContact CD2-CD2 3.83Å; L314-L408 HydrophobicContact CD2-CD1 4.19Å
315	S	75.3	Confident	85.8	Confident	33 Å²	33	38 Å²	38	23%	0.231	19%	0.193	C	C	.	.			trans	-81.4	167.5	171.3	66.9	0	0	0	0	111.4	D317 D318 F319	S315-D317 PolarHBondContact O-N 3.29Å; S315-D317 PolarHBondContact OG-N 2.81Å; S315-D318 WeakPolarHBondContact CB-OD2 3.21Å; S315-D318 PolarHBondContact N-OD2 3.34Å; S315-D318 PolarHBondContact O-N 3.13Å; S315-D318 PolarHBondContact OG-N 3Å; S315-D318 VanDerWaalsContact OG-N 3.13Å; S315-D318 PolarHBondContact OG-OD2 3.21Å; S315-F319 PolarHBondContact O-N 2.82Å
316	Y	71.3	Confident	85.3	Confident	36 Å²	36	38.3 Å²	38.3	14%	0.141	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-33.8	169.5	-180	-108.9	0	0	0	112.1	F36 C254 F319 C320 D602	F36-Y316 HydrophobicContact CD1-CD2 4.27Å; F36-Y316 HydrophobicContact CG-CD2 4.28Å; C254-Y316 HydrophobicContact CB-CE2 3.84Å; C254-Y316 WeakPolarHBondContact SG-CE2 3.17Å; C254-Y316 PolarHBondContact SG-OH 3.35Å; Y316-F319 HydrophobicContact CE2-CD1 4.47Å; Y316-F319 WeakPolarHBondContact O-CB 2.92Å; Y316-F319 PolarHBondContact O-N 2.87Å; Y316-C320 VanDerWaalsContact CE1-SG 3.55Å; Y316-C320 VanDerWaalsContact CZ-SG 3.54Å; Y316-C320 PolarHBondContact O-N 3.28Å; Y316-D602 WeakPolarHBondContact CD1-OD1 3.49Å; Y316-D602 WeakPolarHBondContact CE1-OD1 3.35Å
317	D	77.3	Confident	84.9	Confident	29 Å²	29	40.3 Å²	40.3	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-39.9	176.9	-58.4	-19.8	0	0	0	111.6	S315 F319 C320 Q321 F542	S315-D317 PolarHBondContact O-N 3.29Å; S315-D317 PolarHBondContact OG-N 2.81Å; D317-F319 VanDerWaalsContact C-N 3.31Å; D317-F319 PolarHBondContact O-N 2.78Å; D317-C320 PolarHBondContact O-N 3.22Å; D317-Q321 WeakPolarHBondContact O-CG 3.18Å; D317-Q321 PolarHBondContact O-N 2.63Å; D317-Q321 VanDerWaalsContact O-N 3.07Å; D317-Q321 PolarHBondContact O-NE2 2.86Å; D317-F542 HydrophobicContact CB-CE1 3.87Å; D317-F542 HydrophobicContact CB-CZ 4.15Å
318	D	81.7	Confident	84.6	Confident	4 Å²	4	41 Å²	41	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-43.8	173.5	-63	-56.7	0	0	0	110	L314 S315 Q321 I322 S341 K401	L314-D318 HydrophobicContact CB-CB 4.32Å; L314-D318 HydrophobicContact CD2-CB 4.28Å; S315-D318 WeakPolarHBondContact CB-OD2 3.21Å; S315-D318 PolarHBondContact N-OD2 3.34Å; S315-D318 PolarHBondContact O-N 3.13Å; S315-D318 PolarHBondContact OG-N 3Å; S315-D318 VanDerWaalsContact OG-N 3.13Å; S315-D318 PolarHBondContact OG-OD2 3.21Å; D318-Q321 WeakPolarHBondContact O-CB 3.39Å; D318-Q321 PolarHBondContact O-N 3.44Å; D318-I322 WeakPolarHBondContact O-CG1 3.32Å; D318-I322 PolarHBondContact O-N 3.33Å; D318-S341 PolarHBondContact OD1-OG 3.43Å; D318-K401 IonicContact OD2-NZ 3.96Å
319	F	77.3	Confident	84.3	Confident	13 Å²	13	41.3 Å²	41.3	6%	0.057	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-44.3	177.6	176.6	-97	0	0	0	113.2	T34 F36 T37 E255 S315 Y316 D317 Q321 I322 R323	T34-F319 HydrophobicContact CG2-CD2 4.38Å; T34-F319 HydrophobicContact CG2-CE2 4.13Å; F36-F319 HydrophobicContact CB-CD1 3.81Å; F36-F319 HydrophobicContact CB-CD2 4.25Å; F36-F319 HydrophobicContact CB-CE1 3.88Å; F36-F319 HydrophobicContact CB-CE2 4.31Å; F36-F319 HydrophobicContact CB-CG 4.02Å; F36-F319 HydrophobicContact CB-CZ 4.15Å; F36-F319 HydrophobicContact CD2-CB 3.49Å; F36-F319 VanDerWaalsContact CD2-CB 3.49Å; F36-F319 HydrophobicContact CD2-CD1 4.03Å; F36-F319 AromaticContact CD2-CD2 3.94Å; F36-F319 HydrophobicContact CD2-CD2 3.94Å; F36-F319 AromaticContact CD2-CG 3.52Å; F36-F319 HydrophobicContact CD2-CG 3.52Å; F36-F319 HydrophobicContact CE2-CB 3.94Å; F36-F319 HydrophobicContact CE2-CG 4.44Å; F36-F319 HydrophobicContact CG-CB 4.48Å; F36-F319 HydrophobicContact CG-CD1 4.26Å; F36-F319 HydrophobicContact CG-CG 4.18Å; T37-F319 HydrophobicContact CG2-CE2 3.53Å; T37-F319 HydrophobicContact CG2-CZ 3.36Å; E255-F319 HydrophobicContact CG-CE1 4.06Å; E255-F319 HydrophobicContact CG-CZ 4.2Å; S315-F319 PolarHBondContact O-N 2.82Å; Y316-F319 HydrophobicContact CE2-CD1 4.47Å; Y316-F319 WeakPolarHBondContact O-CB 2.92Å; Y316-F319 PolarHBondContact O-N 2.87Å; D317-F319 VanDerWaalsContact C-N 3.31Å; D317-F319 PolarHBondContact O-N 2.78Å; F319-Q321 PolarHBondContact O-N 2.94Å; F319-I322 WeakPolarHBondContact O-CB 3.46Å; F319-I322 PolarHBondContact O-N 3.18Å; F319-R323 PolarHBondContact O-N 3.07Å; F319-R323 VanDerWaalsContact O-N 3.1Å
320	C	81.5	Confident	84.2	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.027	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-38.5	175	-81	0	0	0	0	111.8	Y316 D317 R323 I324 F542	Y316-C320 VanDerWaalsContact CE1-SG 3.55Å; Y316-C320 VanDerWaalsContact CZ-SG 3.54Å; Y316-C320 PolarHBondContact O-N 3.28Å; D317-C320 PolarHBondContact O-N 3.22Å; C320-R323 PolarHBondContact O-N 3.43Å; C320-I324 WeakPolarHBondContact O-CG1 3.43Å; C320-I324 PolarHBondContact O-N 3Å; C320-I324 VanDerWaalsContact O-N 3.15Å; C320-F542 HydrophobicContact CB-CE1 4.47Å; C320-F542 HydrophobicContact CB-CE2 4.38Å; C320-F542 HydrophobicContact CB-CZ 3.63Å
321	Q	86.5	Confident	84	Confident	5 Å²	5	37.9 Å²	37.9	2%	0.023	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-45.1	174.5	-72.1	173.5	76.2	0	0	112.1	D317 D318 F319 R323 I324 A325 V337 N340 I538 F542 R546	D317-Q321 WeakPolarHBondContact O-CG 3.18Å; D317-Q321 PolarHBondContact O-N 2.63Å; D317-Q321 VanDerWaalsContact O-N 3.07Å; D317-Q321 PolarHBondContact O-NE2 2.86Å; D318-Q321 WeakPolarHBondContact O-CB 3.39Å; D318-Q321 PolarHBondContact O-N 3.44Å; F319-Q321 PolarHBondContact O-N 2.94Å; Q321-R323 PolarHBondContact O-N 3.41Å; Q321-I324 PolarHBondContact O-N 3.27Å; Q321-I324 VanDerWaalsContact O-N 3.1Å; Q321-A325 WeakPolarHBondContact O-CB 3.34Å; Q321-A325 PolarHBondContact O-N 3.5Å; Q321-V337 HydrophobicContact CB-CB 4.47Å; Q321-V337 HydrophobicContact CB-CG1 3.7Å; Q321-V337 HydrophobicContact CB-CG2 3.86Å; Q321-N340 PolarHBondContact OE1-ND2 3.23Å; Q321-I538 HydrophobicContact CB-CD1 4.43Å; Q321-I538 HydrophobicContact CG-CD1 3.82Å; Q321-I538 HydrophobicContact CG-CG1 4.34Å; Q321-F542 HydrophobicContact CG-CE2 4.08Å; Q321-F542 HydrophobicContact CG-CZ 4.45Å; Q321-R546 VanDerWaalsContact OE1-CZ 3.32Å; Q321-R546 VanDerWaalsContact OE1-NH2 3.09Å
322	I	85.5	Confident	83.8	Confident	9 Å²	9	36.7 Å²	36.7	5%	0.046	18%	0.178	C	C	.	.	H	α-helix	trans	-53.7	-42.5	177.1	-70.9	170.9	0	0	0	110.3	D318 F319 A325 F326 Y333 E334 V337 Y338	D318-I322 WeakPolarHBondContact O-CG1 3.32Å; D318-I322 PolarHBondContact O-N 3.33Å; F319-I322 WeakPolarHBondContact O-CB 3.46Å; F319-I322 PolarHBondContact O-N 3.18Å; I322-A325 PolarHBondContact O-N 3.3Å; I322-F326 WeakPolarHBondContact O-CB 3.34Å; I322-F326 PolarHBondContact O-N 3.22Å; I322-Y333 HydrophobicContact CG2-CD2 3.8Å; I322-Y333 HydrophobicContact CG2-CE2 4Å; I322-E334 HydrophobicContact CD1-CG 4.42Å; I322-E334 HydrophobicContact CG2-CG 3.72Å; I322-V337 HydrophobicContact CG1-CB 3.85Å; I322-V337 HydrophobicContact CG1-CG1 3.9Å; I322-V337 HydrophobicContact CG1-CG2 4.11Å; I322-Y338 HydrophobicContact CD1-CE1 3.76Å
323	R	83.3	Confident	83.9	Confident	92 Å²	92	40.2 Å²	40.2	35%	0.347	19%	0.191	S	C	.	.	H	α-helix	trans	-65.5	-45.7	177.2	179.2	-178.5	72.5	-172.7	-5.1	113.4	E255 F319 C320 Q321 A325 F326 K327	E255-R323 WeakPolarHBondContact OE1-CD 3.44Å; E255-R323 IonicContact OE1-CZ 3.16Å; E255-R323 IonicContact OE1-NE 2.73Å; E255-R323 IonicContact OE1-NH1 2.71Å; E255-R323 PolarHBondContact OE1-NH1 2.9Å; F319-R323 PolarHBondContact O-N 3.07Å; F319-R323 VanDerWaalsContact O-N 3.1Å; C320-R323 PolarHBondContact O-N 3.43Å; Q321-R323 PolarHBondContact O-N 3.41Å; R323-A325 VanDerWaalsContact C-N 3.25Å; R323-A325 PolarHBondContact O-N 3.43Å; R323-F326 PolarHBondContact O-N 3.24Å; R323-K327 WeakPolarHBondContact O-CB 3.4Å; R323-K327 PolarHBondContact O-N 2.88Å
324	I	87.7	Confident	84	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-40.1	178.5	-63.4	166.9	0	0	0	109	C320 Q321 K327 H328 F534 E537 I538 V541	C320-I324 WeakPolarHBondContact O-CG1 3.43Å; C320-I324 PolarHBondContact O-N 3Å; C320-I324 VanDerWaalsContact O-N 3.15Å; Q321-I324 PolarHBondContact O-N 3.27Å; Q321-I324 VanDerWaalsContact O-N 3.1Å; I324-K327 PolarHBondContact O-N 3.4Å; I324-H328 PolarHBondContact O-CD2 2.98Å; I324-H328 PolarHBondContact O-N 3.1Å; I324-F534 HydrophobicContact CB-CD2 4.14Å; I324-F534 HydrophobicContact CB-CE2 4.28Å; I324-F534 HydrophobicContact CG2-CD2 3.68Å; I324-F534 HydrophobicContact CG2-CE2 4.25Å; I324-F534 HydrophobicContact CG2-CG 4.5Å; I324-E537 HydrophobicContact CD1-CG 4.24Å; I324-E537 HydrophobicContact CG1-CG 4.25Å; I324-E537 HydrophobicContact CG2-CB 3.79Å; I324-E537 HydrophobicContact CG2-CG 3.93Å; I324-I538 HydrophobicContact CD1-CG1 3.86Å; I324-I538 HydrophobicContact CG2-CG1 4.38Å; I324-V541 HydrophobicContact CD1-CG2 4.14Å
325	A	89.6	Confident	84.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-43.8	175.1	0	0	0	0	0	112.3	Q321 I322 R323 H328 K329 I330 V337 F534	Q321-A325 WeakPolarHBondContact O-CB 3.34Å; Q321-A325 PolarHBondContact O-N 3.5Å; I322-A325 PolarHBondContact O-N 3.3Å; R323-A325 VanDerWaalsContact C-N 3.25Å; R323-A325 PolarHBondContact O-N 3.43Å; A325-H328 CarbonylContact O-C 3.57Å; A325-H328 PolarHBondContact O-N 3.47Å; A325-K329 PolarHBondContact O-N 2.87Å; A325-K329 VanDerWaalsContact O-N 3.15Å; A325-I330 HydrophobicContact CB-CB 4.3Å; A325-I330 HydrophobicContact CB-CD1 4.07Å; A325-I330 PolarHBondContact O-N 3.24Å; A325-I330 VanDerWaalsContact O-N 3.09Å; A325-V337 HydrophobicContact CB-CG2 4.17Å; A325-F534 HydrophobicContact CB-CD2 3.93Å; A325-F534 HydrophobicContact CB-CE2 3.59Å; A325-F534 HydrophobicContact CB-CZ 4.41Å
326	F	87	Confident	85.3	Confident	128 Å²	128	38.6 Å²	38.6	56%	0.561	18%	0.179	S	C	*	.	H	α-helix	trans	-60.7	-46.3	174	177.4	-103.2	0	0	0	112	I322 R323 H328 K329 Y333	I322-F326 WeakPolarHBondContact O-CB 3.34Å; I322-F326 PolarHBondContact O-N 3.22Å; R323-F326 PolarHBondContact O-N 3.24Å; F326-H328 PolarHBondContact O-N 3.17Å; F326-K329 PolarHBondContact O-N 3.1Å; F326-Y333 HydrophobicContact CB-CD1 4.45Å; F326-Y333 HydrophobicContact CB-CD2 3.85Å; F326-Y333 HydrophobicContact CB-CE2 4.13Å; F326-Y333 HydrophobicContact CB-CG 4.06Å; F326-Y333 AromaticContact CD2-CD1 3.98Å; F326-Y333 HydrophobicContact CD2-CD1 3.98Å; F326-Y333 HydrophobicContact CD2-CD2 4.4Å; F326-Y333 AromaticContact CD2-CE1 3.6Å; F326-Y333 HydrophobicContact CD2-CE1 3.6Å; F326-Y333 HydrophobicContact CD2-CE2 4.06Å; F326-Y333 HydrophobicContact CD2-CG 4.39Å; F326-Y333 AromaticContact CD2-CZ 3.67Å; F326-Y333 HydrophobicContact CE2-CE1 4.27Å; F326-Y333 HydrophobicContact CG-CE2 4.47Å
327	K	87.5	Confident	86.2	Confident	127 Å²	127	36.9 Å²	36.9	55%	0.552	17%	0.172	S	C	*	.	H	α-helix	trans	-56.8	-38.6	176.8	177	-176.4	171.3	-175.8	0	111.9	R323 I324 K329 E537	R323-K327 WeakPolarHBondContact O-CB 3.4Å; R323-K327 PolarHBondContact O-N 2.88Å; I324-K327 PolarHBondContact O-N 3.4Å; K327-K329 VanDerWaalsContact C-N 3.31Å; K327-E537 IonicContact NZ-OE1 3.64Å; K327-E537 PolarHBondContact NZ-OE1 3.23Å
328	H	90.3	Very high	86.8	Confident	42 Å²	42	35.5 Å²	35.5	19%	0.194	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	13	177.9	-68.8	-65.9	0	0	0	113.9	I324 A325 F326 I330 C530 H533	I324-H328 PolarHBondContact O-CD2 2.98Å; I324-H328 PolarHBondContact O-N 3.1Å; A325-H328 CarbonylContact O-C 3.57Å; A325-H328 PolarHBondContact O-N 3.47Å; F326-H328 PolarHBondContact O-N 3.17Å; H328-I330 PolarHBondContact O-N 3.32Å; H328-I330 VanDerWaalsContact O-N 3.17Å; H328-C530 WeakPolarHBondContact O-CB 3.45Å; H328-H533 VanDerWaalsContact CE1-CB 3.49Å; H328-H533 WeakPolarHBondContact CE1-CB 3.46Å; H328-H533 WeakPolarHBondContact ND1-CB 3.48Å
329	K	88.3	Confident	87.3	Confident	155 Å²	155	35.4 Å²	35.4	67%	0.674	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	32.1	174.9	-56.6	-177.1	178.7	-177.8	0	114.4	A325 F326 K327 T481	A325-K329 PolarHBondContact O-N 2.87Å; A325-K329 VanDerWaalsContact O-N 3.15Å; F326-K329 PolarHBondContact O-N 3.1Å; K327-K329 VanDerWaalsContact C-N 3.31Å; K329-T481 PolarHBondContact O-OG1 3.48Å
330	I	91.2	Very high	87.9	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.166	C	C	.	.			trans	-63.7	128.6	174.7	-65.8	-178.1	0	0	0	108.5	A325 H328 G332 Y333 V336 Y531 F534	A325-I330 HydrophobicContact CB-CB 4.3Å; A325-I330 HydrophobicContact CB-CD1 4.07Å; A325-I330 PolarHBondContact O-N 3.24Å; A325-I330 VanDerWaalsContact O-N 3.09Å; H328-I330 PolarHBondContact O-N 3.32Å; H328-I330 VanDerWaalsContact O-N 3.17Å; I330-G332 PolarHBondContact O-N 3.15Å; I330-Y333 WeakPolarHBondContact O-CB 3.28Å; I330-Y333 PolarHBondContact O-N 3.29Å; I330-V336 HydrophobicContact CG2-CB 4.11Å; I330-V336 HydrophobicContact CG2-CG1 4.08Å; I330-V336 HydrophobicContact CG2-CG2 3.77Å; I330-Y531 HydrophobicContact CD1-CD1 4.03Å; I330-Y531 HydrophobicContact CD1-CE1 4.1Å; I330-Y531 HydrophobicContact CG2-CE1 4.03Å; I330-F534 HydrophobicContact CD1-CB 3.77Å; I330-F534 HydrophobicContact CD1-CD1 4.08Å; I330-F534 HydrophobicContact CD1-CD2 3.83Å; I330-F534 HydrophobicContact CD1-CE2 4.44Å; I330-F534 HydrophobicContact CD1-CG 3.63Å
331	P	87.8	Confident	88.2	Confident	20 Å²	20	35.5 Å²	35.5	13%	0.13	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	137.4	177.8	26.9	-35.1	0	0	0	110.3	Y333 V336 F478 A479	P331-Y333 PolarHBondContact O-N 3.29Å; P331-V336 WeakPolarHBondContact O-CG2 3.06Å; P331-F478 WeakPolarHBondContact CG-O 3.32Å; P331-A479 WeakPolarHBondContact CD-O 3.41Å; P331-A479 VanDerWaalsContact CG-C 3.49Å; P331-A479 WeakPolarHBondContact CG-O 3.3Å
332	G	85.5	Confident	88.4	Confident	36 Å²	36	35.4 Å²	35.4	37%	0.371	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.8	-175.9	0	0	0	0	0	112.8	I330 E334 A335 V336	I330-G332 PolarHBondContact O-N 3.15Å; G332-E334 CarbonylContact O-C 3.51Å; G332-E334 PolarHBondContact O-N 3.05Å; G332-A335 WeakPolarHBondContact O-CA 3.35Å; G332-A335 WeakPolarHBondContact O-CB 3.34Å; G332-A335 PolarHBondContact O-N 2.98Å; G332-V336 PolarHBondContact O-N 3.15Å
333	Y	87.2	Confident	88.5	Confident	75 Å²	75	35.3 Å²	35.3	29%	0.294	17%	0.165	S	C	.	.	H	α-helix	trans	-44.3	-35.2	-173.1	54.5	-89	0	0	0	114.9	I322 F326 I330 P331 V337	I322-Y333 HydrophobicContact CG2-CD2 3.8Å; I322-Y333 HydrophobicContact CG2-CE2 4Å; F326-Y333 HydrophobicContact CB-CD1 4.45Å; F326-Y333 HydrophobicContact CB-CD2 3.85Å; F326-Y333 HydrophobicContact CB-CE2 4.13Å; F326-Y333 HydrophobicContact CB-CG 4.06Å; F326-Y333 AromaticContact CD2-CD1 3.98Å; F326-Y333 HydrophobicContact CD2-CD1 3.98Å; F326-Y333 HydrophobicContact CD2-CD2 4.4Å; F326-Y333 AromaticContact CD2-CE1 3.6Å; F326-Y333 HydrophobicContact CD2-CE1 3.6Å; F326-Y333 HydrophobicContact CD2-CE2 4.06Å; F326-Y333 HydrophobicContact CD2-CG 4.39Å; F326-Y333 AromaticContact CD2-CZ 3.67Å; F326-Y333 HydrophobicContact CE2-CE1 4.27Å; F326-Y333 HydrophobicContact CG-CE2 4.47Å; I330-Y333 WeakPolarHBondContact O-CB 3.28Å; I330-Y333 PolarHBondContact O-N 3.29Å; P331-Y333 PolarHBondContact O-N 3.29Å; Y333-V337 WeakPolarHBondContact O-CG2 3.2Å; Y333-V337 PolarHBondContact O-N 3.29Å
334	E	85.5	Confident	88.6	Confident	28 Å²	28	33.6 Å²	33.6	13%	0.131	16%	0.161	C	C	.	.	H	α-helix	trans	-66.5	-52.7	173.1	-68.8	174	154	0	0	112.3	I322 G332 V336 V337 Y338 Y412	I322-E334 HydrophobicContact CD1-CG 4.42Å; I322-E334 HydrophobicContact CG2-CG 3.72Å; G332-E334 CarbonylContact O-C 3.51Å; G332-E334 PolarHBondContact O-N 3.05Å; E334-V336 VanDerWaalsContact C-N 3.29Å; E334-V336 PolarHBondContact O-N 3.34Å; E334-V337 PolarHBondContact O-N 3.09Å; E334-V337 VanDerWaalsContact O-N 3.1Å; E334-Y338 HydrophobicContact CB-CD2 4.49Å; E334-Y338 HydrophobicContact CB-CE2 3.7Å; E334-Y338 WeakPolarHBondContact O-CD2 3.29Å; E334-Y338 WeakPolarHBondContact O-CE2 3.45Å; E334-Y338 VanDerWaalsContact O-CG 3.23Å; E334-Y338 PolarHBondContact O-N 3.19Å; E334-Y412 HydrophobicContact CB-CE1 4.23Å; E334-Y412 WeakPolarHBondContact OE2-CE1 3.43Å; E334-Y412 VanDerWaalsContact OE2-CZ 3.27Å; E334-Y412 PolarHBondContact OE2-OH 3.46Å
335	A	89	Confident	88.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-37.5	-180	0	0	0	0	0	112.3	G332 V337 Y338 L339 Y412 Y413	G332-A335 WeakPolarHBondContact O-CA 3.35Å; G332-A335 WeakPolarHBondContact O-CB 3.34Å; G332-A335 PolarHBondContact O-N 2.98Å; A335-V337 VanDerWaalsContact C-N 3.34Å; A335-Y338 PolarHBondContact O-N 2.73Å; A335-L339 VanDerWaalsContact O-CB 3.23Å; A335-L339 WeakPolarHBondContact O-CB 3.28Å; A335-L339 PolarHBondContact O-N 3.03Å; A335-Y412 VanDerWaalsContact CB-CB 3.48Å; A335-Y412 HydrophobicContact CB-CD1 3.87Å; A335-Y412 HydrophobicContact CB-CG 3.69Å; A335-Y413 VanDerWaalsContact C-OH 3.31Å; A335-Y413 HydrophobicContact CB-CD1 4.49Å; A335-Y413 HydrophobicContact CB-CE1 3.73Å; A335-Y413 HydrophobicContact CB-CE2 3.99Å; A335-Y413 VanDerWaalsContact CB-CZ 3.43Å; A335-Y413 WeakPolarHBondContact CB-OH 3.2Å
336	V	91.2	Very high	88.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-42.1	174.9	174.7	0	0	0	0	110.9	I330 P331 G332 E334 L339 N340 Y413 H429 L433 Y531	I330-V336 HydrophobicContact CG2-CB 4.11Å; I330-V336 HydrophobicContact CG2-CG1 4.08Å; I330-V336 HydrophobicContact CG2-CG2 3.77Å; P331-V336 WeakPolarHBondContact O-CG2 3.06Å; G332-V336 PolarHBondContact O-N 3.15Å; E334-V336 VanDerWaalsContact C-N 3.29Å; E334-V336 PolarHBondContact O-N 3.34Å; V336-L339 PolarHBondContact O-N 2.91Å; V336-N340 WeakPolarHBondContact O-CB 3.49Å; V336-N340 PolarHBondContact O-N 2.87Å; V336-Y413 PolarHBondContact N-OH 3.45Å; V336-H429 HydrophobicContact CG2-CB 4.37Å; V336-L433 HydrophobicContact CG1-CD1 3.82Å; V336-L433 HydrophobicContact CG1-CD2 3.79Å; V336-L433 HydrophobicContact CG1-CG 3.99Å; V336-Y531 HydrophobicContact CG1-CE1 4.24Å
337	V	88.6	Confident	88.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.3	-40.7	177	174	0	0	0	0	111.7	Q321 I322 A325 Y333 E334 A335 L339 N340 S341 F534	Q321-V337 HydrophobicContact CB-CB 4.47Å; Q321-V337 HydrophobicContact CB-CG1 3.7Å; Q321-V337 HydrophobicContact CB-CG2 3.86Å; I322-V337 HydrophobicContact CG1-CB 3.85Å; I322-V337 HydrophobicContact CG1-CG1 3.9Å; I322-V337 HydrophobicContact CG1-CG2 4.11Å; A325-V337 HydrophobicContact CB-CG2 4.17Å; Y333-V337 WeakPolarHBondContact O-CG2 3.2Å; Y333-V337 PolarHBondContact O-N 3.29Å; E334-V337 PolarHBondContact O-N 3.09Å; E334-V337 VanDerWaalsContact O-N 3.1Å; A335-V337 VanDerWaalsContact C-N 3.34Å; V337-L339 VanDerWaalsContact C-N 3.28Å; V337-L339 PolarHBondContact O-N 2.95Å; V337-N340 WeakPolarHBondContact O-CB 3.18Å; V337-N340 PolarHBondContact O-N 3.46Å; V337-S341 PolarHBondContact O-N 3.42Å; V337-S341 PolarHBondContact O-OG 3.27Å; V337-F534 HydrophobicContact CG2-CZ 4.35Å
338	Y	90.5	Very high	87.7	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-40.5	174	-56.2	-33.6	0	0	0	111.8	I32 L314 I322 E334 A335 S341 L342 L405 L408	I32-Y338 HydrophobicContact CD1-CE2 3.41Å; I32-Y338 VanDerWaalsContact CD1-CE2 3.41Å; I32-Y338 WeakPolarHBondContact CD1-OH 3.42Å; L314-Y338 HydrophobicContact CD1-CE1 3.59Å; L314-Y338 HydrophobicContact CD2-CD1 3.76Å; L314-Y338 HydrophobicContact CD2-CE1 3.47Å; L314-Y338 VanDerWaalsContact CD2-CE1 3.47Å; L314-Y338 HydrophobicContact CG-CE1 4.18Å; I322-Y338 HydrophobicContact CD1-CE1 3.76Å; E334-Y338 HydrophobicContact CB-CD2 4.49Å; E334-Y338 HydrophobicContact CB-CE2 3.7Å; E334-Y338 WeakPolarHBondContact O-CD2 3.29Å; E334-Y338 WeakPolarHBondContact O-CE2 3.45Å; E334-Y338 VanDerWaalsContact O-CG 3.23Å; E334-Y338 PolarHBondContact O-N 3.19Å; A335-Y338 PolarHBondContact O-N 2.73Å; Y338-S341 PolarHBondContact O-N 3.3Å; Y338-L342 WeakPolarHBondContact O-CB 3.45Å; Y338-L342 PolarHBondContact O-N 2.89Å; Y338-L405 HydrophobicContact CD1-CD2 4.01Å; Y338-L405 HydrophobicContact CG-CD2 4.41Å; Y338-L408 HydrophobicContact CD1-CD1 3.96Å; Y338-L408 HydrophobicContact CD2-CB 3.57Å; Y338-L408 HydrophobicContact CD2-CD1 4Å; Y338-L408 HydrophobicContact CD2-CG 4.39Å; Y338-L408 HydrophobicContact CE1-CD1 3.89Å; Y338-L408 HydrophobicContact CE2-CB 4Å; Y338-L408 HydrophobicContact CE2-CD1 3.91Å; Y338-L408 HydrophobicContact CE2-CG 4.42Å; Y338-L408 HydrophobicContact CG-CB 4.03Å; Y338-L408 HydrophobicContact CG-CD1 4.05Å
339	L	92	Very high	87.2	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-42.4	175.9	-173.1	61.7	0	0	0	111.5	A335 V336 V337 L342 L343 V409 Y413 C426 H429 I430	A335-L339 VanDerWaalsContact O-CB 3.23Å; A335-L339 WeakPolarHBondContact O-CB 3.28Å; A335-L339 PolarHBondContact O-N 3.03Å; V336-L339 PolarHBondContact O-N 2.91Å; V337-L339 VanDerWaalsContact C-N 3.28Å; V337-L339 PolarHBondContact O-N 2.95Å; L339-L342 PolarHBondContact O-N 3.14Å; L339-L343 WeakPolarHBondContact O-CB 3.16Å; L339-L343 PolarHBondContact O-N 2.87Å; L339-V409 HydrophobicContact CB-CG2 4.35Å; L339-V409 HydrophobicContact CD1-CG1 4.32Å; L339-Y413 HydrophobicContact CD2-CE2 4.15Å; L339-C426 HydrophobicContact CD1-CB 4.43Å; L339-C426 HydrophobicContact CD2-CB 4.22Å; L339-C426 WeakPolarHBondContact CD2-O 3.33Å; L339-H429 HydrophobicContact CD2-CB 3.8Å; L339-I430 HydrophobicContact CD1-CD1 4.2Å; L339-I430 HydrophobicContact CD1-CG1 4.31Å; L339-I430 HydrophobicContact CD2-CD1 4.35Å; L339-I430 HydrophobicContact CD2-CG1 3.79Å; L339-I430 HydrophobicContact CG-CD1 4.42Å; L339-I430 HydrophobicContact CG-CG1 3.98Å
340	N	90.5	Very high	86.7	Confident	14 Å²	14	18.6 Å²	18.6	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-49	175.7	-167.9	23.4	0	0	0	111.7	Q321 V336 V337 L342 L343 Q344 L433 R546	Q321-N340 PolarHBondContact OE1-ND2 3.23Å; V336-N340 WeakPolarHBondContact O-CB 3.49Å; V336-N340 PolarHBondContact O-N 2.87Å; V337-N340 WeakPolarHBondContact O-CB 3.18Å; V337-N340 PolarHBondContact O-N 3.46Å; N340-L342 VanDerWaalsContact C-N 3.29Å; N340-L342 PolarHBondContact O-N 2.92Å; N340-L343 PolarHBondContact O-N 2.98Å; N340-Q344 WeakPolarHBondContact O-CG 3.35Å; N340-Q344 PolarHBondContact O-N 3.39Å; N340-L433 HydrophobicContact CB-CD1 3.85Å; N340-L433 HydrophobicContact CB-CD2 4.45Å; N340-R546 PolarHBondContact ND2-NH1 3.04Å
341	S	87.3	Confident	85.7	Confident	5 Å²	5	19.5 Å²	19.5	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-31.7	177.7	-66.4	0	0	0	0	112.3	D318 V337 Y338 M345	D318-S341 PolarHBondContact OD1-OG 3.43Å; V337-S341 PolarHBondContact O-N 3.42Å; V337-S341 PolarHBondContact O-OG 3.27Å; Y338-S341 PolarHBondContact O-N 3.3Å; S341-M345 PolarHBondContact O-N 2.97Å
342	L	90.1	Very high	84.3	Confident	2 Å²	2	24 Å²	24	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-68.3	-43.2	172.5	178.7	59.8	0	0	0	111.7	Y338 L339 N340 Q344 M345 M346 F388 L392 F393 A402 L405 I406 V409	Y338-L342 WeakPolarHBondContact O-CB 3.45Å; Y338-L342 PolarHBondContact O-N 2.89Å; L339-L342 PolarHBondContact O-N 3.14Å; N340-L342 VanDerWaalsContact C-N 3.29Å; N340-L342 PolarHBondContact O-N 2.92Å; L342-Q344 VanDerWaalsContact C-N 3.31Å; L342-Q344 PolarHBondContact O-N 3.3Å; L342-M345 PolarHBondContact O-N 3.36Å; L342-M346 WeakPolarHBondContact O-CB 3.38Å; L342-M346 PolarHBondContact O-N 3.29Å; L342-F388 HydrophobicContact CD2-CE1 4.2Å; L342-F388 HydrophobicContact CD2-CZ 4.3Å; L342-L392 HydrophobicContact CD2-CD1 3.67Å; L342-L392 HydrophobicContact CG-CD1 4.16Å; L342-F393 HydrophobicContact CD1-CE2 4.12Å; L342-F393 HydrophobicContact CD1-CZ 4.05Å; L342-A402 HydrophobicContact CD1-CB 4.26Å; L342-L405 HydrophobicContact CB-CB 4.24Å; L342-L405 HydrophobicContact CB-CD1 4.13Å; L342-L405 HydrophobicContact CD1-CB 4.46Å; L342-I406 HydrophobicContact CD1-CD1 4.25Å; L342-I406 HydrophobicContact CD1-CG1 3.78Å; L342-I406 HydrophobicContact CD2-CG1 3.74Å; L342-I406 HydrophobicContact CG-CG1 4.43Å; L342-V409 HydrophobicContact CD2-CG2 4.34Å
343	L	89.2	Confident	82.6	Confident	7 Å²	7	26.8 Å²	26.8	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-40.2	178	-173.4	68.2	0	0	0	111.5	L339 N340 M346 F347 F366 I430 L434 L549	L339-L343 WeakPolarHBondContact O-CB 3.16Å; L339-L343 PolarHBondContact O-N 2.87Å; N340-L343 PolarHBondContact O-N 2.98Å; L343-M346 HydrophobicContact CD1-CE 3.57Å; L343-M346 HydrophobicContact CD1-SD 4.34Å; L343-M346 PolarHBondContact O-N 2.79Å; L343-F347 WeakPolarHBondContact O-CB 3.2Å; L343-F347 PolarHBondContact O-N 3.48Å; L343-F366 HydrophobicContact CD1-CE2 4.12Å; L343-F366 HydrophobicContact CD1-CZ 4.12Å; L343-F366 HydrophobicContact CD2-CZ 4.19Å; L343-F366 HydrophobicContact CG-CE2 4.41Å; L343-F366 HydrophobicContact CG-CZ 4.4Å; L343-I430 HydrophobicContact CD2-CG2 4.17Å; L343-L434 HydrophobicContact CD2-CD2 3.97Å; L343-L434 HydrophobicContact CD2-CG 4.37Å; L343-L549 HydrophobicContact CD2-CD1 3.62Å; L343-L549 HydrophobicContact CG-CD1 3.7Å
344	Q	84.8	Confident	80.7	Confident	56 Å²	56	30.7 Å²	30.7	26%	0.262	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-40.1	174.4	-69.6	-174.8	-12.5	0	0	112.6	N340 L342 A348 R546 L549	N340-Q344 WeakPolarHBondContact O-CG 3.35Å; N340-Q344 PolarHBondContact O-N 3.39Å; L342-Q344 VanDerWaalsContact C-N 3.31Å; L342-Q344 PolarHBondContact O-N 3.3Å; Q344-A348 WeakPolarHBondContact O-CB 3.43Å; Q344-A348 PolarHBondContact O-N 3.06Å; Q344-R546 VanDerWaalsContact NE2-NH2 3.16Å; Q344-L549 HydrophobicContact CG-CD1 4.49Å
345	M	82.9	Confident	78.8	Confident	23 Å²	23	36.8 Å²	36.8	11%	0.113	20%	0.201	C	C	.	.	H	α-helix	trans	-69.5	-39.6	174.5	-78.4	-170.2	-72.2	0	0	112.6	S341 L342 F347 A348 L349 K401 A402 L405	S341-M345 PolarHBondContact O-N 2.97Å; L342-M345 PolarHBondContact O-N 3.36Å; M345-F347 VanDerWaalsContact C-N 3.32Å; M345-F347 PolarHBondContact O-N 3.24Å; M345-A348 PolarHBondContact O-N 2.98Å; M345-L349 VanDerWaalsContact O-CB 3.31Å; M345-L349 WeakPolarHBondContact O-CB 3.43Å; M345-L349 VanDerWaalsContact O-CG 3.28Å; M345-L349 WeakPolarHBondContact O-CG 3.23Å; M345-L349 PolarHBondContact O-N 2.79Å; M345-K401 HydrophobicContact CE-CB 4.37Å; M345-K401 HydrophobicContact CE-CD 4.14Å; M345-K401 HydrophobicContact CE-CG 3.86Å; M345-K401 HydrophobicContact SD-CB 3.85Å; M345-K401 HydrophobicContact SD-CD 3.75Å; M345-K401 HydrophobicContact SD-CG 3.76Å; M345-A402 HydrophobicContact CE-CB 4.31Å; M345-A402 HydrophobicContact SD-CB 4.32Å; M345-L405 HydrophobicContact CE-CB 4.39Å; M345-L405 HydrophobicContact CE-CD1 3.1Å; M345-L405 HydrophobicContact CE-CG 3.8Å
346	M	86.9	Confident	76.9	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-49.4	173.8	-178.8	-161	79.6	0	0	110.2	L342 L343 A348 L349 E350 F366 M373 L392 F393	L342-M346 WeakPolarHBondContact O-CB 3.38Å; L342-M346 PolarHBondContact O-N 3.29Å; L343-M346 HydrophobicContact CD1-CE 3.57Å; L343-M346 HydrophobicContact CD1-SD 4.34Å; L343-M346 PolarHBondContact O-N 2.79Å; M346-A348 PolarHBondContact O-N 3.19Å; M346-L349 PolarHBondContact O-N 3.31Å; M346-E350 HydrophobicContact CG-CG 4.28Å; M346-E350 WeakPolarHBondContact O-CB 3.36Å; M346-E350 WeakPolarHBondContact O-CG 3.39Å; M346-E350 PolarHBondContact O-N 2.59Å; M346-F366 HydrophobicContact CE-CE2 4.34Å; M346-M373 HydrophobicContact SD-SD 4.44Å; M346-L392 HydrophobicContact CG-CB 4.47Å; M346-L392 WeakPolarHBondContact CG-O 3.45Å; M346-L392 HydrophobicContact SD-CB 4.18Å; M346-L392 HydrophobicContact SD-CD2 3.76Å; M346-F393 HydrophobicContact CB-CE1 4.15Å; M346-F393 HydrophobicContact CB-CZ 4.17Å; M346-F393 HydrophobicContact CG-CE1 4.41Å
347	F	83.4	Confident	75.3	Confident	28 Å²	28	47.3 Å²	47.3	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-49.5	176.9	-174.2	-104.8	0	0	0	111.8	L343 M345 L349 Q351 W365 F366 L549	L343-F347 WeakPolarHBondContact O-CB 3.2Å; L343-F347 PolarHBondContact O-N 3.48Å; M345-F347 VanDerWaalsContact C-N 3.32Å; M345-F347 PolarHBondContact O-N 3.24Å; F347-L349 VanDerWaalsContact C-N 3.33Å; F347-L349 PolarHBondContact O-N 2.57Å; F347-Q351 VanDerWaalsContact CE1-OE1 3.27Å; F347-Q351 VanDerWaalsContact CE2-OE1 3.27Å; F347-Q351 WeakPolarHBondContact O-CB 3.48Å; F347-Q351 PolarHBondContact O-N 3.25Å; F347-W365 HydrophobicContact CD2-CE3 4.33Å; F347-W365 AromaticContact CD2-CZ3 3.92Å; F347-W365 HydrophobicContact CD2-CZ3 3.92Å; F347-W365 HydrophobicContact CE2-CE3 4.26Å; F347-W365 HydrophobicContact CE2-CZ3 4.3Å; F347-F366 AromaticContact CD2-CD2 3.75Å; F347-F366 HydrophobicContact CD2-CD2 3.75Å; F347-F366 HydrophobicContact CD2-CE2 4.42Å; F347-F366 HydrophobicContact CE2-CB 4.35Å; F347-F366 HydrophobicContact CE2-CD2 4.07Å; F347-L549 HydrophobicContact CB-CD2 3.67Å; F347-L549 HydrophobicContact CD1-CD2 3.44Å; F347-L549 VanDerWaalsContact CD1-CD2 3.44Å; F347-L549 HydrophobicContact CD2-CD2 3.93Å; F347-L549 HydrophobicContact CE1-CD2 3.95Å; F347-L549 HydrophobicContact CE2-CD2 4.39Å; F347-L549 HydrophobicContact CG-CD2 3.4Å; F347-L549 HydrophobicContact CZ-CD2 4.37Å
348	A	79.8	Confident	74.3	Confident	29 Å²	29	50.5 Å²	50.5	24%	0.24	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-34.2	-179.9	0	0	0	0	0	113.8	Q344 M345 M346 F598	Q344-A348 WeakPolarHBondContact O-CB 3.43Å; Q344-A348 PolarHBondContact O-N 3.06Å; M345-A348 PolarHBondContact O-N 2.98Å; M346-A348 PolarHBondContact O-N 3.19Å; A348-F598 HydrophobicContact CB-CZ 4.11Å
349	L	80	Confident	73.3	Confident	46 Å²	46	56.5 Å²	56.5	24%	0.241	31%	0.308	C	S	.	.	H	α-helix	trans	-86.5	-36.1	-176.9	-71.6	173.4	0	0	0	113.7	M345 M346 F347 F393 S396	M345-L349 VanDerWaalsContact O-CB 3.31Å; M345-L349 WeakPolarHBondContact O-CB 3.43Å; M345-L349 VanDerWaalsContact O-CG 3.28Å; M345-L349 WeakPolarHBondContact O-CG 3.23Å; M345-L349 PolarHBondContact O-N 2.79Å; M346-L349 PolarHBondContact O-N 3.31Å; F347-L349 VanDerWaalsContact C-N 3.33Å; F347-L349 PolarHBondContact O-N 2.57Å; L349-F393 HydrophobicContact CB-CE1 4.32Å; L349-F393 HydrophobicContact CD1-CE1 3.83Å; L349-S396 PolarHBondContact O-OG 3.18Å
350	E	78.5	Confident	72.4	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.075	33%	0.334	C	S	.	.	H	α-helix	trans	-80.3	-31.8	178.7	-69.9	-71.4	137.2	0	0	111.6	M346 N352 W365 F393 Q394 T395 S396	M346-E350 HydrophobicContact CG-CG 4.28Å; M346-E350 WeakPolarHBondContact O-CB 3.36Å; M346-E350 WeakPolarHBondContact O-CG 3.39Å; M346-E350 PolarHBondContact O-N 2.59Å; E350-N352 PolarHBondContact O-N 2.93Å; E350-W365 HydrophobicContact CB-CH2 3.78Å; E350-W365 HydrophobicContact CB-CZ2 3.93Å; E350-F393 WeakPolarHBondContact OE1-CA 3.18Å; E350-Q394 PolarHBondContact OE1-N 3.32Å; E350-Q394 PolarHBondContact OE2-N 3.43Å; E350-T395 VanDerWaalsContact CD-OG1 3.24Å; E350-T395 PolarHBondContact OE1-N 3.05Å; E350-T395 WeakPolarHBondContact OE2-CB 3.39Å; E350-T395 PolarHBondContact OE2-N 3.24Å; E350-T395 PolarHBondContact OE2-OG1 3.18Å; E350-S396 PolarHBondContact OE1-N 3.4Å
351	Q	69.6	Low	71.6	Confident	21 Å²	21	66.1 Å²	66.1	10%	0.098	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	15.3	-172	-148.4	-163.9	20.9	0	0	114.9	F347 C353 W365	F347-Q351 VanDerWaalsContact CE1-OE1 3.27Å; F347-Q351 VanDerWaalsContact CE2-OE1 3.27Å; F347-Q351 WeakPolarHBondContact O-CB 3.48Å; F347-Q351 PolarHBondContact O-N 3.25Å; Q351-C353 PolarHBondContact O-N 3.41Å; Q351-W365 HydrophobicContact CG-CD2 4.45Å; Q351-W365 HydrophobicContact CG-CE3 4.45Å
352	N	57.2	Low	70.9	Confident	115 Å²	115	68.5 Å²	68.5	62%	0.615	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	20	78.1	174.5	-87	-25.2	0	0	0	112.5	E350 D354	E350-N352 PolarHBondContact O-N 2.93Å; N352-D354 PolarHBondContact O-N 2.83Å
353	C	51.1	Low	70.3	Confident	94 Å²	94	70.8 Å²	70.8	64%	0.635	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	6.3	-163.2	-65.6	0	0	0	0	117.1	Q351	Q351-C353 PolarHBondContact O-N 3.41Å
354	D	46.5	Very low	70	Confident	157 Å²	157	75.1 Å²	75.1	84%	0.84	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.7	-176	-69.4	-28.9	0	0	0	115.1	N352	N352-D354 PolarHBondContact O-N 2.83Å
355	L	46	Very low	69.8	Low	155 Å²	155	76.1 Å²	76.1	81%	0.812	40%	0.4	S	S	*	.	S	Bend	trans	-127.5	-3.3	-168.9	-71	168.9	0	0	0	117.7
356	I	49.6	Very low	69.9	Low	74 Å²	74	75.2 Å²	75.2	38%	0.379	40%	0.395	S	S	.	.			trans	-135.2	97.2	-179	-52.9	177.8	0	0	0	111.1	D358 K361 Q362	I356-D358 HydrophobicContact CG2-CB 4.25Å; I356-D358 PolarHBondContact O-N 3.47Å; I356-K361 HydrophobicContact CG2-CB 3.75Å; I356-K361 HydrophobicContact CG2-CD 4.08Å; I356-Q362 PolarHBondContact O-NE2 2.97Å
357	T	57.5	Low	69.8	Low	147 Å²	147	77.6 Å²	77.6	90%	0.902	41%	0.406	S	S	*	.			trans	-78.2	-3.9	176	-23.9	0	0	0	0	113.7
358	D	67.7	Low	69.9	Low	67 Å²	67	80.8 Å²	80.8	36%	0.358	42%	0.424	S	S	.	.			trans	-97.6	109.3	-169.5	-167.9	-8.4	0	0	0	111.1	I356 D360 K361 Q362	I356-D358 HydrophobicContact CG2-CB 4.25Å; I356-D358 PolarHBondContact O-N 3.47Å; D358-D360 PolarHBondContact O-N 3.38Å; D358-D360 PolarHBondContact OD1-N 2.81Å; D358-K361 HydrophobicContact CB-CB 4.27Å; D358-K361 HydrophobicContact CB-CD 4.01Å; D358-K361 HydrophobicContact CB-CG 4.09Å; D358-K361 PolarHBondContact O-N 2.84Å; D358-K361 WeakPolarHBondContact OD2-CE 3.38Å; D358-K361 IonicContact OD2-NZ 3.94Å; D358-Q362 WeakPolarHBondContact O-CG 3.39Å; D358-Q362 PolarHBondContact O-N 3.27Å
359	E	69.1	Low	70.3	Confident	126 Å²	126	80 Å²	80	59%	0.589	41%	0.414	S	S	*	.	H	α-helix	trans	-58.8	-32.9	-177.1	-66.7	-176.6	163.3	0	0	112.6	Q362 T363 R547	E359-Q362 PolarHBondContact O-N 2.94Å; E359-T363 PolarHBondContact O-N 3.42Å; E359-T363 VanDerWaalsContact O-N 3.09Å; E359-T363 PolarHBondContact O-OG1 3.41Å; E359-T363 VanDerWaalsContact O-OG1 3.08Å; E359-R547 IonicContact OE1-NH1 2.78Å
360	D	72.9	Confident	70.9	Confident	106 Å²	106	78.1 Å²	78.1	57%	0.567	40%	0.404	S	S	*	.	H	α-helix	trans	-65.9	-43.4	178.9	-72.7	-26.3	0	0	0	110.9	D358 Q362 T363 E364	D358-D360 PolarHBondContact O-N 3.38Å; D358-D360 PolarHBondContact OD1-N 2.81Å; D360-Q362 VanDerWaalsContact C-N 3.28Å; D360-Q362 PolarHBondContact O-N 2.84Å; D360-T363 PolarHBondContact O-N 2.85Å; D360-E364 PolarHBondContact O-N 2.85Å
361	K	73.8	Confident	71.5	Confident	114 Å²	114	79.8 Å²	79.8	50%	0.496	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-32.1	176.7	-67.5	-177.6	-173.8	169.6	0	112.4	I356 D358 W365	I356-K361 HydrophobicContact CG2-CB 3.75Å; I356-K361 HydrophobicContact CG2-CD 4.08Å; D358-K361 HydrophobicContact CB-CB 4.27Å; D358-K361 HydrophobicContact CB-CD 4.01Å; D358-K361 HydrophobicContact CB-CG 4.09Å; D358-K361 PolarHBondContact O-N 2.84Å; D358-K361 WeakPolarHBondContact OD2-CE 3.38Å; D358-K361 IonicContact OD2-NZ 3.94Å; K361-W365 WeakPolarHBondContact O-CB 3.21Å; K361-W365 PolarHBondContact O-N 3.4Å
362	Q	72.2	Confident	72.6	Confident	55 Å²	55	81.3 Å²	81.3	26%	0.257	43%	0.425	S	S	.	.	H	α-helix	trans	-66.9	-44.5	176.5	-62.1	-178.2	1.3	0	0	110.9	I356 D358 E359 D360 F366	I356-Q362 PolarHBondContact O-NE2 2.97Å; D358-Q362 WeakPolarHBondContact O-CG 3.39Å; D358-Q362 PolarHBondContact O-N 3.27Å; E359-Q362 PolarHBondContact O-N 2.94Å; D360-Q362 VanDerWaalsContact C-N 3.28Å; D360-Q362 PolarHBondContact O-N 2.84Å; Q362-F366 WeakPolarHBondContact O-CB 3.4Å; Q362-F366 PolarHBondContact O-N 3.11Å
363	T	78.6	Confident	74.3	Confident	49 Å²	49	76 Å²	76	30%	0.301	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-44.5	177.7	-55.4	0	0	0	0	111.3	E359 D360 F366 Q367 I550	E359-T363 PolarHBondContact O-N 3.42Å; E359-T363 VanDerWaalsContact O-N 3.09Å; E359-T363 PolarHBondContact O-OG1 3.41Å; E359-T363 VanDerWaalsContact O-OG1 3.08Å; D360-T363 PolarHBondContact O-N 2.85Å; T363-F366 PolarHBondContact O-N 3.2Å; T363-Q367 WeakPolarHBondContact O-CB 3.42Å; T363-Q367 PolarHBondContact O-N 2.9Å; T363-I550 HydrophobicContact CG2-CG2 4.34Å
364	E	81	Confident	76.3	Confident	98 Å²	98	71.5 Å²	71.5	46%	0.458	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-47.6	177.5	-174.6	-178.7	-169.1	0	0	111.9	D360 F366 Q367 I368	D360-E364 PolarHBondContact O-N 2.85Å; E364-F366 VanDerWaalsContact C-N 3.31Å; E364-F366 PolarHBondContact O-N 3.08Å; E364-Q367 PolarHBondContact O-N 3.48Å; E364-I368 HydrophobicContact CG-CD1 3.97Å; E364-I368 WeakPolarHBondContact O-CG1 3.4Å; E364-I368 PolarHBondContact O-N 3.32Å
365	W	82.4	Confident	78.5	Confident	78 Å²	78	65.2 Å²	65.2	30%	0.295	34%	0.338	S	S	.	.	H	α-helix	trans	-57.3	-46.7	176.8	179.8	91.7	0	0	0	111.3	F347 E350 Q351 K361 Q367 I368 R369	F347-W365 HydrophobicContact CD2-CE3 4.33Å; F347-W365 AromaticContact CD2-CZ3 3.92Å; F347-W365 HydrophobicContact CD2-CZ3 3.92Å; F347-W365 HydrophobicContact CE2-CE3 4.26Å; F347-W365 HydrophobicContact CE2-CZ3 4.3Å; E350-W365 HydrophobicContact CB-CH2 3.78Å; E350-W365 HydrophobicContact CB-CZ2 3.93Å; Q351-W365 HydrophobicContact CG-CD2 4.45Å; Q351-W365 HydrophobicContact CG-CE3 4.45Å; K361-W365 WeakPolarHBondContact O-CB 3.21Å; K361-W365 PolarHBondContact O-N 3.4Å; W365-Q367 VanDerWaalsContact C-N 3.34Å; W365-Q367 PolarHBondContact O-N 2.64Å; W365-I368 PolarHBondContact O-N 3Å; W365-R369 HydrophobicContact CE3-CB 4.45Å; W365-R369 HydrophobicContact CH2-CB 4.4Å; W365-R369 HydrophobicContact CH2-CG 4.05Å; W365-R369 HydrophobicContact CZ2-CG 4.44Å; W365-R369 HydrophobicContact CZ3-CB 4.29Å; W365-R369 HydrophobicContact CZ3-CG 4.29Å; W365-R369 VanDerWaalsContact O-CB 3.27Å; W365-R369 WeakPolarHBondContact O-CB 3.48Å; W365-R369 PolarHBondContact O-N 2.82Å
366	F	83.1	Confident	80.7	Confident	3 Å²	3	60 Å²	60	1%	0.013	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-40.2	-179.3	-172.6	-89	0	0	0	111.6	L343 M346 F347 Q362 T363 E364 R369 F370 L434 L549 I550	L343-F366 HydrophobicContact CD1-CE2 4.12Å; L343-F366 HydrophobicContact CD1-CZ 4.12Å; L343-F366 HydrophobicContact CD2-CZ 4.19Å; L343-F366 HydrophobicContact CG-CE2 4.41Å; L343-F366 HydrophobicContact CG-CZ 4.4Å; M346-F366 HydrophobicContact CE-CE2 4.34Å; F347-F366 AromaticContact CD2-CD2 3.75Å; F347-F366 HydrophobicContact CD2-CD2 3.75Å; F347-F366 HydrophobicContact CD2-CE2 4.42Å; F347-F366 HydrophobicContact CE2-CB 4.35Å; F347-F366 HydrophobicContact CE2-CD2 4.07Å; Q362-F366 WeakPolarHBondContact O-CB 3.4Å; Q362-F366 PolarHBondContact O-N 3.11Å; T363-F366 PolarHBondContact O-N 3.2Å; E364-F366 VanDerWaalsContact C-N 3.31Å; E364-F366 PolarHBondContact O-N 3.08Å; F366-R369 WeakPolarHBondContact O-CB 3.5Å; F366-R369 PolarHBondContact O-N 3.39Å; F366-F370 HydrophobicContact CE1-CB 4.33Å; F366-F370 VanDerWaalsContact O-CB 3.29Å; F366-F370 WeakPolarHBondContact O-CB 3.35Å; F366-F370 PolarHBondContact O-N 3.1Å; F366-L434 HydrophobicContact CE1-CD1 3.5Å; F366-L434 HydrophobicContact CE1-CD2 3.43Å; F366-L434 VanDerWaalsContact CE1-CD2 3.43Å; F366-L434 HydrophobicContact CE1-CG 4.08Å; F366-L434 HydrophobicContact CZ-CD1 3.84Å; F366-L434 HydrophobicContact CZ-CD2 3.48Å; F366-L434 VanDerWaalsContact CZ-CD2 3.48Å; F366-L434 HydrophobicContact CZ-CG 4.25Å; F366-L549 HydrophobicContact CE2-CD1 4.17Å; F366-L549 HydrophobicContact CZ-CD1 4.34Å; F366-I550 HydrophobicContact CD1-CD1 3.88Å; F366-I550 HydrophobicContact CD1-CG1 4.29Å; F366-I550 HydrophobicContact CE1-CD1 4.16Å
367	Q	85	Confident	82.8	Confident	52 Å²	52	56.5 Å²	56.5	24%	0.243	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-46.6	177.3	-172.9	176	0.4	0	0	112	T363 E364 W365 R369 F370 E371 Y445	T363-Q367 WeakPolarHBondContact O-CB 3.42Å; T363-Q367 PolarHBondContact O-N 2.9Å; E364-Q367 PolarHBondContact O-N 3.48Å; W365-Q367 VanDerWaalsContact C-N 3.34Å; W365-Q367 PolarHBondContact O-N 2.64Å; Q367-R369 VanDerWaalsContact C-N 3.25Å; Q367-R369 PolarHBondContact O-N 2.91Å; Q367-F370 PolarHBondContact O-N 3.31Å; Q367-E371 WeakPolarHBondContact O-CB 3.3Å; Q367-E371 WeakPolarHBondContact O-CG 3.37Å; Q367-E371 PolarHBondContact O-N 3.37Å; Q367-Y445 PolarHBondContact NE2-OH 3.09Å
368	I	86.8	Confident	84.5	Confident	94 Å²	94	52.4 Å²	52.4	48%	0.482	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-43	174.8	-67.9	168.2	0	0	0	110.1	E364 W365 E371 S372	E364-I368 HydrophobicContact CG-CD1 3.97Å; E364-I368 WeakPolarHBondContact O-CG1 3.4Å; E364-I368 PolarHBondContact O-N 3.32Å; W365-I368 PolarHBondContact O-N 3Å; I368-E371 PolarHBondContact O-N 3.22Å; I368-S372 WeakPolarHBondContact O-CB 3.5Å; I368-S372 PolarHBondContact O-N 3.49Å
369	R	88.4	Confident	85.6	Confident	13 Å²	13	54 Å²	54	5%	0.049	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-45.8	179.6	-172.9	63.4	176	126.8	-3.7	111.9	W365 F366 Q367 S372 M373 T391 L392 Q394	W365-R369 HydrophobicContact CE3-CB 4.45Å; W365-R369 HydrophobicContact CH2-CB 4.4Å; W365-R369 HydrophobicContact CH2-CG 4.05Å; W365-R369 HydrophobicContact CZ2-CG 4.44Å; W365-R369 HydrophobicContact CZ3-CB 4.29Å; W365-R369 HydrophobicContact CZ3-CG 4.29Å; W365-R369 VanDerWaalsContact O-CB 3.27Å; W365-R369 WeakPolarHBondContact O-CB 3.48Å; W365-R369 PolarHBondContact O-N 2.82Å; F366-R369 WeakPolarHBondContact O-CB 3.5Å; F366-R369 PolarHBondContact O-N 3.39Å; Q367-R369 VanDerWaalsContact C-N 3.25Å; Q367-R369 PolarHBondContact O-N 2.91Å; R369-S372 WeakPolarHBondContact O-CB 3.44Å; R369-S372 PolarHBondContact O-N 3.16Å; R369-M373 WeakPolarHBondContact O-CG 3.37Å; R369-M373 PolarHBondContact O-N 3.17Å; R369-T391 VanDerWaalsContact CZ-O 3.27Å; R369-T391 PolarHBondContact NH1-O 2.86Å; R369-T391 PolarHBondContact NH2-O 3.33Å; R369-L392 VanDerWaalsContact NH2-C 3.3Å; R369-L392 PolarHBondContact NH2-O 3.34Å; R369-Q394 VanDerWaalsContact NH1-CD 3.26Å
370	F	91.4	Very high	86.7	Confident	6 Å²	6	52 Å²	52	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-42.9	179.3	-177.6	-129.3	0	0	0	112	F366 Q367 S372 M373 L374 M427 I430 S431 L434 F435 Y445	F366-F370 HydrophobicContact CE1-CB 4.33Å; F366-F370 VanDerWaalsContact O-CB 3.29Å; F366-F370 WeakPolarHBondContact O-CB 3.35Å; F366-F370 PolarHBondContact O-N 3.1Å; Q367-F370 PolarHBondContact O-N 3.31Å; F370-S372 VanDerWaalsContact C-N 3.34Å; F370-S372 PolarHBondContact O-N 2.92Å; F370-M373 WeakPolarHBondContact O-CB 3.23Å; F370-M373 PolarHBondContact O-N 3.42Å; F370-L374 HydrophobicContact CD1-CD1 4.16Å; F370-L374 HydrophobicContact CE1-CD1 3.92Å; F370-L374 HydrophobicContact CE2-CD1 4.45Å; F370-L374 HydrophobicContact CE2-CG 4.37Å; F370-L374 HydrophobicContact CZ-CD1 4.06Å; F370-L374 HydrophobicContact CZ-CD2 4.48Å; F370-L374 HydrophobicContact CZ-CG 4.39Å; F370-L374 WeakPolarHBondContact O-CG 3.35Å; F370-L374 PolarHBondContact O-N 3.36Å; F370-M427 HydrophobicContact CD2-CE 3.67Å; F370-M427 HydrophobicContact CE2-CE 3.33Å; F370-M427 HydrophobicContact CZ-CE 4.3Å; F370-I430 HydrophobicContact CD2-CG2 3.92Å; F370-I430 HydrophobicContact CE2-CB 4.19Å; F370-I430 HydrophobicContact CE2-CG2 3.41Å; F370-I430 VanDerWaalsContact CE2-CG2 3.41Å; F370-I430 HydrophobicContact CZ-CG2 4.18Å; F370-S431 WeakPolarHBondContact CZ-OG 3.46Å; F370-L434 HydrophobicContact CD1-CD1 4.2Å; F370-L434 HydrophobicContact CD2-CD1 4.1Å; F370-L434 HydrophobicContact CE1-CD1 4.08Å; F370-L434 HydrophobicContact CE2-CD1 4.01Å; F370-L434 HydrophobicContact CG-CD1 4.2Å; F370-L434 HydrophobicContact CZ-CD1 3.99Å; F370-F435 HydrophobicContact CE1-CE2 4.25Å; F370-Y445 HydrophobicContact CD1-CD1 4.07Å; F370-Y445 HydrophobicContact CD1-CE1 4.35Å; F370-Y445 AromaticContact CE1-CD1 3.6Å; F370-Y445 HydrophobicContact CE1-CD1 3.6Å; F370-Y445 HydrophobicContact CE1-CD2 4.46Å; F370-Y445 HydrophobicContact CE1-CE1 4.29Å; F370-Y445 AromaticContact CE1-CG 3.7Å; F370-Y445 HydrophobicContact CE1-CG 3.7Å
371	E	91.7	Very high	87.5	Confident	52 Å²	52	48.4 Å²	48.4	24%	0.243	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-38	174.2	-76.7	-72.4	-175.6	0	0	112.5	Q367 I368 L374 G375 Y445 K448	Q367-E371 WeakPolarHBondContact O-CB 3.3Å; Q367-E371 WeakPolarHBondContact O-CG 3.37Å; Q367-E371 PolarHBondContact O-N 3.37Å; I368-E371 PolarHBondContact O-N 3.22Å; E371-L374 PolarHBondContact O-N 2.91Å; E371-G375 PolarHBondContact O-N 2.96Å; E371-Y445 WeakPolarHBondContact OE1-CE1 3.49Å; E371-K448 IonicContact OE1-NZ 2.65Å; E371-K448 PolarHBondContact OE1-NZ 3.45Å; E371-K448 IonicContact OE2-NZ 3.98Å
372	S	91.7	Very high	88.5	Confident	53 Å²	53	47 Å²	47	37%	0.371	24%	0.243	S	C	.	.	H	α-helix	trans	-60.4	-45	172.8	179	0	0	0	0	111.5	I368 R369 F370 G375 V376	I368-S372 WeakPolarHBondContact O-CB 3.5Å; I368-S372 PolarHBondContact O-N 3.49Å; R369-S372 WeakPolarHBondContact O-CB 3.44Å; R369-S372 PolarHBondContact O-N 3.16Å; F370-S372 VanDerWaalsContact C-N 3.34Å; F370-S372 PolarHBondContact O-N 2.92Å; S372-G375 WeakPolarHBondContact O-CA 3.44Å; S372-G375 PolarHBondContact O-N 2.9Å; S372-G375 VanDerWaalsContact O-N 3.15Å; S372-V376 PolarHBondContact O-N 2.86Å
373	M	93.6	Very high	89.4	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-41.5	176.1	-70.6	173.1	59.9	0	0	112.3	M346 R369 F370 G375 V376 C377 T391 L392 F423 M427 I430	M346-M373 HydrophobicContact SD-SD 4.44Å; R369-M373 WeakPolarHBondContact O-CG 3.37Å; R369-M373 PolarHBondContact O-N 3.17Å; F370-M373 WeakPolarHBondContact O-CB 3.23Å; F370-M373 PolarHBondContact O-N 3.42Å; M373-G375 VanDerWaalsContact C-N 3.26Å; M373-G375 PolarHBondContact O-N 2.97Å; M373-V376 PolarHBondContact O-N 3.15Å; M373-C377 PolarHBondContact O-N 3.46Å; M373-T391 HydrophobicContact CG-CG2 4.22Å; M373-L392 HydrophobicContact CE-CD2 3.49Å; M373-L392 VanDerWaalsContact CE-CD2 3.49Å; M373-L392 HydrophobicContact SD-CD2 4.32Å; M373-F423 HydrophobicContact CB-CZ 4.15Å; M373-F423 HydrophobicContact CE-CE2 4.14Å; M373-F423 HydrophobicContact CE-CZ 3.93Å; M373-F423 WeakPolarHBondContact O-CE1 3.34Å; M373-M427 HydrophobicContact CB-CE 3.72Å; M373-M427 HydrophobicContact CB-SD 4.03Å; M373-M427 HydrophobicContact CE-CE 4.46Å; M373-M427 HydrophobicContact CE-SD 3.83Å; M373-I430 HydrophobicContact CE-CD1 4.12Å
374	L	93.4	Very high	90	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-38.7	172.9	-71.2	168	0	0	0	111.1	F370 E371 C377 R378 M427 Y445 K448 A449	F370-L374 HydrophobicContact CD1-CD1 4.16Å; F370-L374 HydrophobicContact CE1-CD1 3.92Å; F370-L374 HydrophobicContact CE2-CD1 4.45Å; F370-L374 HydrophobicContact CE2-CG 4.37Å; F370-L374 HydrophobicContact CZ-CD1 4.06Å; F370-L374 HydrophobicContact CZ-CD2 4.48Å; F370-L374 HydrophobicContact CZ-CG 4.39Å; F370-L374 WeakPolarHBondContact O-CG 3.35Å; F370-L374 PolarHBondContact O-N 3.36Å; E371-L374 PolarHBondContact O-N 2.91Å; L374-C377 WeakPolarHBondContact O-CB 3.27Å; L374-C377 PolarHBondContact O-N 3.21Å; L374-R378 WeakPolarHBondContact O-CG 3.49Å; L374-R378 PolarHBondContact O-N 3.44Å; L374-R378 PolarHBondContact O-NH1 3.25Å; L374-M427 HydrophobicContact CB-CE 4.38Å; L374-M427 HydrophobicContact CD2-CB 4.17Å; L374-M427 HydrophobicContact CD2-CE 3.46Å; L374-M427 VanDerWaalsContact CD2-CE 3.46Å; L374-M427 HydrophobicContact CD2-CG 4.45Å; L374-M427 HydrophobicContact CG-CE 3.54Å; L374-Y445 HydrophobicContact CD1-CD1 3.97Å; L374-K448 HydrophobicContact CD1-CB 4.01Å; L374-K448 HydrophobicContact CD1-CD 4.4Å; L374-K448 HydrophobicContact CD2-CB 4.42Å; L374-A449 HydrophobicContact CD2-CB 3.97Å
375	G	92.1	Very high	90.4	Very high	24 Å²	24	44.7 Å²	44.7	25%	0.247	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-45.2	173.1	0	0	0	0	0	113.8	E371 S372 M373 R378 S379	E371-G375 PolarHBondContact O-N 2.96Å; S372-G375 WeakPolarHBondContact O-CA 3.44Å; S372-G375 PolarHBondContact O-N 2.9Å; S372-G375 VanDerWaalsContact O-N 3.15Å; M373-G375 VanDerWaalsContact C-N 3.26Å; M373-G375 PolarHBondContact O-N 2.97Å; G375-R378 PolarHBondContact O-N 3Å; G375-S379 PolarHBondContact O-N 3.05Å
376	V	92.5	Very high	90.8	Very high	46 Å²	46	46.7 Å²	46.7	28%	0.279	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-42.4	174.6	176.5	0	0	0	0	111.1	S372 M373 R378 S379 K380 L383 T391 F423	S372-V376 PolarHBondContact O-N 2.86Å; M373-V376 PolarHBondContact O-N 3.15Å; V376-R378 VanDerWaalsContact C-N 3.3Å; V376-R378 PolarHBondContact O-N 3.28Å; V376-S379 PolarHBondContact O-N 3.01Å; V376-S379 PolarHBondContact O-OG 3.02Å; V376-K380 PolarHBondContact O-N 3.38Å; V376-L383 HydrophobicContact CG1-CD1 4.45Å; V376-L383 HydrophobicContact CG1-CD2 4.35Å; V376-T391 HydrophobicContact CB-CG2 4.39Å; V376-T391 HydrophobicContact CG1-CG2 4.2Å; V376-T391 HydrophobicContact CG2-CG2 4.5Å; V376-F423 HydrophobicContact CB-CE1 4.45Å; V376-F423 HydrophobicContact CG1-CE1 4.41Å
377	C	94.3	Very high	91.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-37.6	178.8	-177.5	0	0	0	0	112.9	M373 L374 K380 P381 F423 R424 M427	M373-C377 PolarHBondContact O-N 3.46Å; L374-C377 WeakPolarHBondContact O-CB 3.27Å; L374-C377 PolarHBondContact O-N 3.21Å; C377-K380 CarbonylContact O-C 3.37Å; C377-P381 WeakPolarHBondContact O-CA 3.32Å; C377-F423 HydrophobicContact CB-CD1 3.64Å; C377-F423 HydrophobicContact CB-CE1 3.78Å; C377-R424 VanDerWaalsContact SG-CA 3.57Å; C377-M427 HydrophobicContact CB-CG 3.88Å
378	R	92.1	Very high	91.5	Very high	62 Å²	62	47 Å²	47	23%	0.234	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-40.5	177.9	-72.5	-171.1	-59.8	-90.2	4.6	113.1	L374 G375 V376 K448 Y450 W465	L374-R378 WeakPolarHBondContact O-CG 3.49Å; L374-R378 PolarHBondContact O-N 3.44Å; L374-R378 PolarHBondContact O-NH1 3.25Å; G375-R378 PolarHBondContact O-N 3Å; V376-R378 VanDerWaalsContact C-N 3.3Å; V376-R378 PolarHBondContact O-N 3.28Å; R378-K448 WeakPolarHBondContact CD-O 3.15Å; R378-K448 WeakPolarHBondContact CG-O 3.43Å; R378-K448 PolarHBondContact NH1-O 3.37Å; R378-Y450 WeakPolarHBondContact CD-O 3.47Å; R378-W465 VanDerWaalsContact CD-CZ2 3.48Å
379	S	90.9	Very high	91.7	Very high	101 Å²	101	43.5 Å²	43.5	71%	0.706	23%	0.228	S	C	*	.	H	α-helix	trans	-76.9	-35.8	178.9	62.2	0	0	0	0	112.1	G375 V376	G375-S379 PolarHBondContact O-N 3.05Å; V376-S379 PolarHBondContact O-N 3.01Å; V376-S379 PolarHBondContact O-OG 3.02Å
380	K	92	Very high	91.8	Very high	83 Å²	83	48.9 Å²	48.9	36%	0.361	25%	0.253	S	S	.	.			trans	-142.4	93.9	-177.8	-166.5	174.7	178.7	173.6	0	111.2	V376 C377 Y382 L383 E387	V376-K380 PolarHBondContact O-N 3.38Å; C377-K380 CarbonylContact O-C 3.37Å; K380-Y382 VanDerWaalsContact C-N 3.3Å; K380-Y382 WeakPolarHBondContact CE-O 3.37Å; K380-Y382 WeakPolarHBondContact CG-O 3.44Å; K380-Y382 PolarHBondContact O-N 3.41Å; K380-L383 HydrophobicContact CB-CD2 4.05Å; K380-L383 HydrophobicContact CD-CD2 3.75Å; K380-L383 HydrophobicContact CG-CD2 3.82Å; K380-E387 IonicContact NZ-OE1 3.71Å; K380-E387 PolarHBondContact NZ-OE1 2.97Å; K380-E387 IonicContact NZ-OE2 2.64Å; K380-E387 PolarHBondContact NZ-OE2 2.75Å
381	P	91.3	Very high	91.8	Very high	30 Å²	30	49.3 Å²	49.3	20%	0.195	26%	0.257	C	S	.	.	S	Bend	trans	-72.8	-20.4	-178.4	26.3	-33.2	0	0	0	114	C377 F423 R424	C377-P381 WeakPolarHBondContact O-CA 3.32Å; P381-F423 WeakPolarHBondContact O-CB 3.31Å; P381-F423 PolarHBondContact O-N 2.8Å; P381-R424 HydrophobicContact CB-CB 4.44Å
382	Y	93	Very high	91.7	Very high	84 Å²	84	47 Å²	47	33%	0.329	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.6	177.8	-63.8	-84.3	0	0	0	110	K380 D415 L421 N422	K380-Y382 VanDerWaalsContact C-N 3.3Å; K380-Y382 WeakPolarHBondContact CE-O 3.37Å; K380-Y382 WeakPolarHBondContact CG-O 3.44Å; K380-Y382 PolarHBondContact O-N 3.41Å; Y382-D415 HydrophobicContact CE1-CB 4.49Å; Y382-L421 CarbonylContact C-O 3.53Å; Y382-L421 WeakPolarHBondContact CA-O 3.33Å; Y382-N422 HydrophobicContact CD1-CB 4.16Å; Y382-N422 HydrophobicContact CE1-CB 3.9Å
383	L	92.7	Very high	91.5	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.2	-178.1	-61.7	-176.6	0	0	0	110.8	V376 K380 E387 F388 L421 F423	V376-L383 HydrophobicContact CG1-CD1 4.45Å; V376-L383 HydrophobicContact CG1-CD2 4.35Å; K380-L383 HydrophobicContact CB-CD2 4.05Å; K380-L383 HydrophobicContact CD-CD2 3.75Å; K380-L383 HydrophobicContact CG-CD2 3.82Å; L383-E387 HydrophobicContact CB-CB 4.21Å; L383-E387 HydrophobicContact CD2-CB 4.29Å; L383-F388 HydrophobicContact CB-CB 4.34Å; L383-F388 HydrophobicContact CD1-CB 4.5Å; L383-F388 HydrophobicContact CD1-CD2 4.5Å; L383-L421 PolarHBondContact N-O 3.35Å; L383-L421 PolarHBondContact O-N 2.8Å; L383-F423 HydrophobicContact CD1-CB 3.87Å; L383-F423 HydrophobicContact CD1-CD1 3.55Å; L383-F423 HydrophobicContact CD1-CD2 4.02Å; L383-F423 HydrophobicContact CD1-CE1 4.03Å; L383-F423 HydrophobicContact CD1-CE2 4.46Å; L383-F423 HydrophobicContact CD1-CG 3.55Å; L383-F423 HydrophobicContact CD1-CZ 4.46Å; L383-F423 HydrophobicContact CG-CB 3.85Å; L383-F423 HydrophobicContact CG-CD1 4.17Å; L383-F423 HydrophobicContact CG-CG 4.09Å
384	S	91	Very high	91.1	Very high	37 Å²	37	50.6 Å²	50.6	26%	0.259	26%	0.257	S	S	.	.			trans	-66.8	160	163.1	67.1	0	0	0	0	110.1	L386 E387 F388	S384-L386 PolarHBondContact O-N 3.12Å; S384-E387 WeakPolarHBondContact CB-OE2 3.33Å; S384-E387 PolarHBondContact N-OE2 2.9Å; S384-E387 PolarHBondContact O-N 3.22Å; S384-E387 VanDerWaalsContact O-N 3.12Å; S384-E387 VanDerWaalsContact OG-CD 3.23Å; S384-E387 VanDerWaalsContact OG-CG 3.23Å; S384-E387 WeakPolarHBondContact OG-CG 3.36Å; S384-E387 PolarHBondContact OG-N 3.07Å; S384-E387 PolarHBondContact OG-OE2 3.5Å; S384-F388 PolarHBondContact O-N 2.91Å
385	R	89	Confident	90.6	Very high	115 Å²	115	55.6 Å²	55.6	43%	0.434	29%	0.288	S	S	.	.	H	α-helix	trans	-53.9	-40.9	178.6	-176.9	175.7	179.2	-92.2	-2.9	112.9	F388 I389 N407	R385-F388 PolarHBondContact O-N 3.4Å; R385-I389 HydrophobicContact CG-CD1 4.11Å; R385-I389 WeakPolarHBondContact O-CD1 3.48Å; R385-I389 VanDerWaalsContact O-CG1 3.27Å; R385-I389 WeakPolarHBondContact O-CG1 3.4Å; R385-I389 PolarHBondContact O-N 3.18Å; R385-N407 PolarHBondContact NE-OD1 3.04Å; R385-N407 VanDerWaalsContact NE-OD1 3.14Å; R385-N407 PolarHBondContact NH2-OD1 3.26Å
386	L	89.8	Confident	90.1	Very high	120 Å²	120	55.9 Å²	55.9	63%	0.628	29%	0.286	S	S	*	.	H	α-helix	trans	-66.8	-43.7	179.1	-70.9	173.5	0	0	0	111.7	S384 F388 I389 Q390	S384-L386 PolarHBondContact O-N 3.12Å; L386-F388 VanDerWaalsContact C-N 3.34Å; L386-F388 PolarHBondContact O-N 2.88Å; L386-I389 PolarHBondContact O-N 3.43Å; L386-Q390 WeakPolarHBondContact O-CB 3.34Å; L386-Q390 VanDerWaalsContact O-CG 3.31Å; L386-Q390 WeakPolarHBondContact O-CG 3.27Å; L386-Q390 PolarHBondContact O-N 2.94Å
387	E	91.5	Very high	89.7	Confident	58 Å²	58	61.6 Å²	61.6	27%	0.271	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-37.8	177.9	-69.2	167.4	135.9	0	0	111.6	K380 L383 S384 Q390 T391	K380-E387 IonicContact NZ-OE1 3.71Å; K380-E387 PolarHBondContact NZ-OE1 2.97Å; K380-E387 IonicContact NZ-OE2 2.64Å; K380-E387 PolarHBondContact NZ-OE2 2.75Å; L383-E387 HydrophobicContact CB-CB 4.21Å; L383-E387 HydrophobicContact CD2-CB 4.29Å; S384-E387 WeakPolarHBondContact CB-OE2 3.33Å; S384-E387 PolarHBondContact N-OE2 2.9Å; S384-E387 PolarHBondContact O-N 3.22Å; S384-E387 VanDerWaalsContact O-N 3.12Å; S384-E387 VanDerWaalsContact OG-CD 3.23Å; S384-E387 VanDerWaalsContact OG-CG 3.23Å; S384-E387 WeakPolarHBondContact OG-CG 3.36Å; S384-E387 PolarHBondContact OG-N 3.07Å; S384-E387 PolarHBondContact OG-OE2 3.5Å; E387-Q390 PolarHBondContact O-N 2.84Å; E387-T391 WeakPolarHBondContact O-CB 3.36Å; E387-T391 PolarHBondContact O-N 2.98Å; E387-T391 PolarHBondContact O-OG1 2.93Å
388	F	92.6	Very high	89.2	Confident	3 Å²	3	62.4 Å²	62.4	1%	0.013	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-44.9	174	-180	-116	0	0	0	111.7	L342 L383 S384 R385 L386 T391 L392 I406 V409 L421 F423	L342-F388 HydrophobicContact CD2-CE1 4.2Å; L342-F388 HydrophobicContact CD2-CZ 4.3Å; L383-F388 HydrophobicContact CB-CB 4.34Å; L383-F388 HydrophobicContact CD1-CB 4.5Å; L383-F388 HydrophobicContact CD1-CD2 4.5Å; S384-F388 PolarHBondContact O-N 2.91Å; R385-F388 PolarHBondContact O-N 3.4Å; L386-F388 VanDerWaalsContact C-N 3.34Å; L386-F388 PolarHBondContact O-N 2.88Å; F388-T391 PolarHBondContact O-N 3.21Å; F388-L392 HydrophobicContact CD1-CD1 4.11Å; F388-L392 HydrophobicContact CD2-CD1 4.36Å; F388-L392 HydrophobicContact CD2-CG 4.38Å; F388-L392 HydrophobicContact CE1-CD1 3.51Å; F388-L392 HydrophobicContact CE1-CG 4.48Å; F388-L392 HydrophobicContact CE2-CD1 3.81Å; F388-L392 HydrophobicContact CE2-CD2 4.39Å; F388-L392 HydrophobicContact CE2-CG 4.05Å; F388-L392 HydrophobicContact CZ-CD1 3.37Å; F388-L392 HydrophobicContact CZ-CG 4.13Å; F388-L392 WeakPolarHBondContact O-CG 3.47Å; F388-L392 PolarHBondContact O-N 3.08Å; F388-I406 HydrophobicContact CD1-CG2 4.14Å; F388-I406 HydrophobicContact CE1-CG1 4.4Å; F388-I406 HydrophobicContact CE1-CG2 4.27Å; F388-V409 HydrophobicContact CE1-CG1 4.37Å; F388-V409 HydrophobicContact CZ-CG1 4.18Å; F388-L421 HydrophobicContact CB-CD2 4.01Å; F388-L421 HydrophobicContact CD1-CD2 3.79Å; F388-L421 HydrophobicContact CD2-CD2 3.19Å; F388-L421 HydrophobicContact CE1-CD2 3.96Å; F388-L421 HydrophobicContact CE2-CD2 3.38Å; F388-L421 HydrophobicContact CG-CD2 3.39Å; F388-L421 HydrophobicContact CZ-CD2 3.74Å; F388-F423 AromaticContact CD2-CD2 3.81Å; F388-F423 HydrophobicContact CD2-CD2 3.81Å; F388-F423 AromaticContact CD2-CE2 4Å; F388-F423 HydrophobicContact CD2-CE2 4Å; F388-F423 AromaticContact CE2-CD2 3.77Å; F388-F423 HydrophobicContact CE2-CD2 3.77Å; F388-F423 AromaticContact CE2-CE2 3.83Å; F388-F423 HydrophobicContact CE2-CE2 3.83Å
389	I	90.7	Very high	88.7	Confident	21 Å²	21	62.6 Å²	62.6	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-48.9	175.8	-68.2	164.5	0	0	0	110.5	R385 L386 T391 L392 F393 P398 I406	R385-I389 HydrophobicContact CG-CD1 4.11Å; R385-I389 WeakPolarHBondContact O-CD1 3.48Å; R385-I389 VanDerWaalsContact O-CG1 3.27Å; R385-I389 WeakPolarHBondContact O-CG1 3.4Å; R385-I389 PolarHBondContact O-N 3.18Å; L386-I389 PolarHBondContact O-N 3.43Å; I389-T391 VanDerWaalsContact C-N 3.25Å; I389-T391 PolarHBondContact O-N 3.3Å; I389-L392 PolarHBondContact O-N 2.92Å; I389-F393 PolarHBondContact O-N 2.84Å; I389-P398 HydrophobicContact CG2-CG 4.06Å; I389-I406 HydrophobicContact CD1-CG2 4.49Å; I389-I406 HydrophobicContact CG1-CD1 3.99Å; I389-I406 HydrophobicContact CG1-CG2 4.17Å
390	Q	91.2	Very high	88.1	Confident	126 Å²	126	61.6 Å²	61.6	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-63.7	-31.6	177.8	-71.2	172	-17.2	0	0	112.7	L386 E387 Q394	L386-Q390 WeakPolarHBondContact O-CB 3.34Å; L386-Q390 VanDerWaalsContact O-CG 3.31Å; L386-Q390 WeakPolarHBondContact O-CG 3.27Å; L386-Q390 PolarHBondContact O-N 2.94Å; E387-Q390 PolarHBondContact O-N 2.84Å; Q390-Q394 WeakPolarHBondContact O-CG 3.32Å
391	T	90.9	Very high	87.6	Confident	16 Å²	16	60.7 Å²	60.7	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-72.6	-34.7	177.4	-60.4	0	0	0	0	111.3	R369 M373 V376 E387 F388 I389 F423	R369-T391 VanDerWaalsContact CZ-O 3.27Å; R369-T391 PolarHBondContact NH1-O 2.86Å; R369-T391 PolarHBondContact NH2-O 3.33Å; M373-T391 HydrophobicContact CG-CG2 4.22Å; V376-T391 HydrophobicContact CB-CG2 4.39Å; V376-T391 HydrophobicContact CG1-CG2 4.2Å; V376-T391 HydrophobicContact CG2-CG2 4.5Å; E387-T391 WeakPolarHBondContact O-CB 3.36Å; E387-T391 PolarHBondContact O-N 2.98Å; E387-T391 PolarHBondContact O-OG1 2.93Å; F388-T391 PolarHBondContact O-N 3.21Å; I389-T391 VanDerWaalsContact C-N 3.25Å; I389-T391 PolarHBondContact O-N 3.3Å; T391-F423 HydrophobicContact CG2-CE1 4.1Å; T391-F423 HydrophobicContact CG2-CZ 3.77Å
392	L	89.2	Confident	87.4	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-82.7	-47.9	176.3	-69.5	-179.6	0	0	0	112.6	L342 M346 R369 M373 F388 I389	L342-L392 HydrophobicContact CD2-CD1 3.67Å; L342-L392 HydrophobicContact CG-CD1 4.16Å; M346-L392 HydrophobicContact CG-CB 4.47Å; M346-L392 WeakPolarHBondContact CG-O 3.45Å; M346-L392 HydrophobicContact SD-CB 4.18Å; M346-L392 HydrophobicContact SD-CD2 3.76Å; R369-L392 VanDerWaalsContact NH2-C 3.3Å; R369-L392 PolarHBondContact NH2-O 3.34Å; M373-L392 HydrophobicContact CE-CD2 3.49Å; M373-L392 VanDerWaalsContact CE-CD2 3.49Å; M373-L392 HydrophobicContact SD-CD2 4.32Å; F388-L392 HydrophobicContact CD1-CD1 4.11Å; F388-L392 HydrophobicContact CD2-CD1 4.36Å; F388-L392 HydrophobicContact CD2-CG 4.38Å; F388-L392 HydrophobicContact CE1-CD1 3.51Å; F388-L392 HydrophobicContact CE1-CG 4.48Å; F388-L392 HydrophobicContact CE2-CD1 3.81Å; F388-L392 HydrophobicContact CE2-CD2 4.39Å; F388-L392 HydrophobicContact CE2-CG 4.05Å; F388-L392 HydrophobicContact CZ-CD1 3.37Å; F388-L392 HydrophobicContact CZ-CG 4.13Å; F388-L392 WeakPolarHBondContact O-CG 3.47Å; F388-L392 PolarHBondContact O-N 3.08Å; I389-L392 PolarHBondContact O-N 2.92Å
393	F	88.6	Confident	87.1	Confident	9 Å²	9	57.5 Å²	57.5	4%	0.039	30%	0.296	C	S	.	.			trans	-112.8	102.7	-174.9	-60.3	-85	0	0	0	110.2	L342 M346 L349 E350 I389 S396 P398 A402 I406	L342-F393 HydrophobicContact CD1-CE2 4.12Å; L342-F393 HydrophobicContact CD1-CZ 4.05Å; M346-F393 HydrophobicContact CB-CE1 4.15Å; M346-F393 HydrophobicContact CB-CZ 4.17Å; M346-F393 HydrophobicContact CG-CE1 4.41Å; L349-F393 HydrophobicContact CB-CE1 4.32Å; L349-F393 HydrophobicContact CD1-CE1 3.83Å; E350-F393 WeakPolarHBondContact OE1-CA 3.18Å; I389-F393 PolarHBondContact O-N 2.84Å; F393-S396 WeakPolarHBondContact CB-O 3.16Å; F393-P398 HydrophobicContact CD2-CB 4.1Å; F393-P398 HydrophobicContact CE2-CB 3.99Å; F393-P398 HydrophobicContact CG-CB 4.45Å; F393-P398 HydrophobicContact CZ-CB 4.21Å; F393-A402 HydrophobicContact CZ-CB 4Å; F393-I406 HydrophobicContact CD2-CD1 4.46Å; F393-I406 HydrophobicContact CE2-CD1 3.85Å
394	Q	84.4	Confident	86.7	Confident	121 Å²	121	59.8 Å²	59.8	57%	0.565	31%	0.305	S	S	*	.	S	Bend	trans	-98.4	-37.9	-177.3	-79.9	178.6	-10.7	0	0	112	E350 R369 Q390	E350-Q394 PolarHBondContact OE1-N 3.32Å; E350-Q394 PolarHBondContact OE2-N 3.43Å; R369-Q394 VanDerWaalsContact NH1-CD 3.26Å; Q390-Q394 WeakPolarHBondContact O-CG 3.32Å
395	T	81.7	Confident	86.5	Confident	106 Å²	106	58 Å²	58	65%	0.65	29%	0.293	S	S	*	.	S	Bend	trans	-106.3	-28	-174.3	64	0	0	0	0	112.5	E350	E350-T395 VanDerWaalsContact CD-OG1 3.24Å; E350-T395 PolarHBondContact OE1-N 3.05Å; E350-T395 WeakPolarHBondContact OE2-CB 3.39Å; E350-T395 PolarHBondContact OE2-N 3.24Å; E350-T395 PolarHBondContact OE2-OG1 3.18Å
396	S	82	Confident	86.6	Confident	30 Å²	30	52.6 Å²	52.6	21%	0.21	27%	0.272	C	S	.	.	S	Bend	trans	-113.9	160.5	-175.1	-72.3	0	0	0	0	111.8	L349 E350 F393	L349-S396 PolarHBondContact O-OG 3.18Å; E350-S396 PolarHBondContact OE1-N 3.4Å; F393-S396 WeakPolarHBondContact CB-O 3.16Å
397	Q	83.8	Confident	86.5	Confident	166 Å²	166	50.5 Å²	50.5	78%	0.776	26%	0.262	S	S	*	.			trans	-93	139.3	170.8	-69.4	-66.2	-26.4	0	0	110.2	N399	Q397-N399 PolarHBondContact O-N 3.21Å
398	P	84.3	Confident	86.3	Confident	16 Å²	16	48.6 Å²	48.6	10%	0.104	25%	0.253	C	S	.	.			trans	-64.8	131.9	176	26.6	-33.2	0	0	0	110.3	I389 F393 A402 N403 I406	I389-P398 HydrophobicContact CG2-CG 4.06Å; F393-P398 HydrophobicContact CD2-CB 4.1Å; F393-P398 HydrophobicContact CE2-CB 3.99Å; F393-P398 HydrophobicContact CG-CB 4.45Å; F393-P398 HydrophobicContact CZ-CB 4.21Å; P398-A402 HydrophobicContact CB-CB 3.82Å; P398-N403 PolarHBondContact O-ND2 2.9Å; P398-I406 HydrophobicContact CB-CD1 4.26Å
399	N	82.3	Confident	86.2	Confident	66 Å²	66	48.4 Å²	48.4	35%	0.353	25%	0.253	S	S	.	.			trans	-71.5	178.3	173.1	68	18.9	0	0	0	111.7	Q397 K401 A402 N403	Q397-N399 PolarHBondContact O-N 3.21Å; N399-K401 PolarHBondContact O-N 3.32Å; N399-K401 PolarHBondContact OD1-N 3.4Å; N399-A402 PolarHBondContact O-N 3.47Å; N399-A402 VanDerWaalsContact OD1-CB 3.28Å; N399-A402 WeakPolarHBondContact OD1-CB 3.45Å; N399-A402 PolarHBondContact OD1-N 3.04Å; N399-N403 PolarHBondContact O-N 3.03Å; N399-N403 PolarHBondContact O-ND2 2.89Å
400	S	78.3	Confident	86.1	Confident	80 Å²	80	48.3 Å²	48.3	56%	0.559	26%	0.255	S	S	*	.	H	α-helix	trans	-57.8	-44.1	-179.1	52.2	0	0	0	0	112.9	N403 Y404	S400-N403 PolarHBondContact O-N 3.41Å; S400-Y404 PolarHBondContact O-N 3.4Å
401	K	81.3	Confident	85.9	Confident	65 Å²	65	47.8 Å²	47.8	28%	0.283	25%	0.25	S	S	.	.	H	α-helix	trans	-65.1	-42.1	178.1	-170.3	-179.3	179.3	-177.7	0	112	D313 D318 M345 N399 Y404 L405	D313-K401 HydrophobicContact CB-CG 4.37Å; D313-K401 WeakPolarHBondContact O-CE 3.26Å; D318-K401 IonicContact OD2-NZ 3.96Å; M345-K401 HydrophobicContact CE-CB 4.37Å; M345-K401 HydrophobicContact CE-CD 4.14Å; M345-K401 HydrophobicContact CE-CG 3.86Å; M345-K401 HydrophobicContact SD-CB 3.85Å; M345-K401 HydrophobicContact SD-CD 3.75Å; M345-K401 HydrophobicContact SD-CG 3.76Å; N399-K401 PolarHBondContact O-N 3.32Å; N399-K401 PolarHBondContact OD1-N 3.4Å; K401-Y404 WeakPolarHBondContact O-CB 3.28Å; K401-Y404 PolarHBondContact O-N 3.11Å; K401-L405 PolarHBondContact O-N 3.23Å
402	A	86.4	Confident	85.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-44.9	176.3	0	0	0	0	0	110.8	L342 M345 F393 P398 N399 Y404 L405 I406	L342-A402 HydrophobicContact CD1-CB 4.26Å; M345-A402 HydrophobicContact CE-CB 4.31Å; M345-A402 HydrophobicContact SD-CB 4.32Å; F393-A402 HydrophobicContact CZ-CB 4Å; P398-A402 HydrophobicContact CB-CB 3.82Å; N399-A402 PolarHBondContact O-N 3.47Å; N399-A402 VanDerWaalsContact OD1-CB 3.28Å; N399-A402 WeakPolarHBondContact OD1-CB 3.45Å; N399-A402 PolarHBondContact OD1-N 3.04Å; A402-Y404 VanDerWaalsContact C-N 3.33Å; A402-Y404 PolarHBondContact O-N 3.3Å; A402-L405 PolarHBondContact O-N 2.88Å; A402-I406 WeakPolarHBondContact O-CB 3.39Å; A402-I406 WeakPolarHBondContact O-CD1 3.47Å; A402-I406 WeakPolarHBondContact O-CG1 3.39Å; A402-I406 PolarHBondContact O-N 3.08Å
403	N	86.9	Confident	85.8	Confident	47 Å²	47	51.2 Å²	51.2	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-40.5	174.7	-79.1	-66.1	0	0	0	112.7	P398 N399 S400 I406 N407	P398-N403 PolarHBondContact O-ND2 2.9Å; N399-N403 PolarHBondContact O-N 3.03Å; N399-N403 PolarHBondContact O-ND2 2.89Å; S400-N403 PolarHBondContact O-N 3.41Å; N403-I406 PolarHBondContact O-N 3.23Å; N403-N407 VanDerWaalsContact O-CG 3.24Å; N403-N407 PolarHBondContact O-N 2.94Å; N403-N407 PolarHBondContact O-ND2 3.23Å
404	Y	84.1	Confident	85.8	Confident	50 Å²	50	52.2 Å²	52.2	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-47.9	174.7	177.5	-94.3	0	0	0	111.6	D313 L314 S400 K401 A402 I406 N407 L408	D313-Y404 HydrophobicContact CB-CD1 3.66Å; D313-Y404 HydrophobicContact CB-CD2 4.4Å; D313-Y404 HydrophobicContact CB-CE1 4.04Å; D313-Y404 HydrophobicContact CB-CG 3.85Å; L314-Y404 HydrophobicContact CD2-CE1 4.09Å; L314-Y404 HydrophobicContact CG-CE1 4.02Å; S400-Y404 PolarHBondContact O-N 3.4Å; K401-Y404 WeakPolarHBondContact O-CB 3.28Å; K401-Y404 PolarHBondContact O-N 3.11Å; A402-Y404 VanDerWaalsContact C-N 3.33Å; A402-Y404 PolarHBondContact O-N 3.3Å; Y404-I406 PolarHBondContact O-N 3.47Å; Y404-N407 PolarHBondContact O-N 2.99Å; Y404-L408 HydrophobicContact CD1-CD1 3.92Å; Y404-L408 HydrophobicContact CD1-CG 4.45Å; Y404-L408 HydrophobicContact CE1-CD1 3.32Å; Y404-L408 HydrophobicContact CE1-CG 4.1Å; Y404-L408 PolarHBondContact O-N 3.43Å; Y404-L408 VanDerWaalsContact O-N 3.07Å
405	L	87.9	Confident	85.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-38.8	176.6	-68.1	-168.1	0	0	0	112.7	L314 Y338 L342 M345 K401 A402 N407 L408 V409	L314-L405 HydrophobicContact CD2-CD2 3.83Å; Y338-L405 HydrophobicContact CD1-CD2 4.01Å; Y338-L405 HydrophobicContact CG-CD2 4.41Å; L342-L405 HydrophobicContact CB-CB 4.24Å; L342-L405 HydrophobicContact CB-CD1 4.13Å; L342-L405 HydrophobicContact CD1-CB 4.46Å; M345-L405 HydrophobicContact CE-CB 4.39Å; M345-L405 HydrophobicContact CE-CD1 3.1Å; M345-L405 HydrophobicContact CE-CG 3.8Å; K401-L405 PolarHBondContact O-N 3.23Å; A402-L405 PolarHBondContact O-N 2.88Å; L405-N407 VanDerWaalsContact C-N 3.26Å; L405-N407 PolarHBondContact O-N 3.02Å; L405-L408 HydrophobicContact CD2-CD1 4.28Å; L405-L408 PolarHBondContact O-N 2.94Å; L405-L408 VanDerWaalsContact O-N 3.15Å; L405-V409 WeakPolarHBondContact O-CB 3.45Å; L405-V409 VanDerWaalsContact O-CG2 3.29Å; L405-V409 WeakPolarHBondContact O-CG2 3.35Å; L405-V409 PolarHBondContact O-N 3.15Å
406	I	90.4	Very high	85.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-41.7	175	-71.2	163.2	0	0	0	110.4	L342 F388 I389 F393 P398 A402 N403 Y404 V409 A410	L342-I406 HydrophobicContact CD1-CD1 4.25Å; L342-I406 HydrophobicContact CD1-CG1 3.78Å; L342-I406 HydrophobicContact CD2-CG1 3.74Å; L342-I406 HydrophobicContact CG-CG1 4.43Å; F388-I406 HydrophobicContact CD1-CG2 4.14Å; F388-I406 HydrophobicContact CE1-CG1 4.4Å; F388-I406 HydrophobicContact CE1-CG2 4.27Å; I389-I406 HydrophobicContact CD1-CG2 4.49Å; I389-I406 HydrophobicContact CG1-CD1 3.99Å; I389-I406 HydrophobicContact CG1-CG2 4.17Å; F393-I406 HydrophobicContact CD2-CD1 4.46Å; F393-I406 HydrophobicContact CE2-CD1 3.85Å; P398-I406 HydrophobicContact CB-CD1 4.26Å; A402-I406 WeakPolarHBondContact O-CB 3.39Å; A402-I406 WeakPolarHBondContact O-CD1 3.47Å; A402-I406 WeakPolarHBondContact O-CG1 3.39Å; A402-I406 PolarHBondContact O-N 3.08Å; N403-I406 PolarHBondContact O-N 3.23Å; Y404-I406 PolarHBondContact O-N 3.47Å; I406-V409 PolarHBondContact O-N 3.32Å; I406-A410 WeakPolarHBondContact O-CB 3.48Å; I406-A410 PolarHBondContact O-N 2.95Å
407	N	88.5	Confident	85.2	Confident	76 Å²	76	53.9 Å²	53.9	41%	0.406	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-37.4	177.1	-67.7	-18.3	0	0	0	112.1	R385 N403 Y404 L405 K411	R385-N407 PolarHBondContact NE-OD1 3.04Å; R385-N407 VanDerWaalsContact NE-OD1 3.14Å; R385-N407 PolarHBondContact NH2-OD1 3.26Å; N403-N407 VanDerWaalsContact O-CG 3.24Å; N403-N407 PolarHBondContact O-N 2.94Å; N403-N407 PolarHBondContact O-ND2 3.23Å; Y404-N407 PolarHBondContact O-N 2.99Å; L405-N407 VanDerWaalsContact C-N 3.26Å; L405-N407 PolarHBondContact O-N 3.02Å; N407-K411 WeakPolarHBondContact O-CB 3.49Å; N407-K411 PolarHBondContact O-N 2.98Å
408	L	87.1	Confident	84.9	Confident	18 Å²	18	48.2 Å²	48.2	9%	0.094	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-47.3	174.3	-67.8	-179.8	0	0	0	111.8	I32 L314 Y338 Y404 L405 A410 K411 Y412	I32-L408 HydrophobicContact CD1-CD2 4.24Å; L314-L408 HydrophobicContact CD2-CD1 4.19Å; Y338-L408 HydrophobicContact CD1-CD1 3.96Å; Y338-L408 HydrophobicContact CD2-CB 3.57Å; Y338-L408 HydrophobicContact CD2-CD1 4Å; Y338-L408 HydrophobicContact CD2-CG 4.39Å; Y338-L408 HydrophobicContact CE1-CD1 3.89Å; Y338-L408 HydrophobicContact CE2-CB 4Å; Y338-L408 HydrophobicContact CE2-CD1 3.91Å; Y338-L408 HydrophobicContact CE2-CG 4.42Å; Y338-L408 HydrophobicContact CG-CB 4.03Å; Y338-L408 HydrophobicContact CG-CD1 4.05Å; Y404-L408 HydrophobicContact CD1-CD1 3.92Å; Y404-L408 HydrophobicContact CD1-CG 4.45Å; Y404-L408 HydrophobicContact CE1-CD1 3.32Å; Y404-L408 HydrophobicContact CE1-CG 4.1Å; Y404-L408 PolarHBondContact O-N 3.43Å; Y404-L408 VanDerWaalsContact O-N 3.07Å; L405-L408 HydrophobicContact CD2-CD1 4.28Å; L405-L408 PolarHBondContact O-N 2.94Å; L405-L408 VanDerWaalsContact O-N 3.15Å; L408-A410 VanDerWaalsContact C-N 3.3Å; L408-A410 PolarHBondContact O-N 3.42Å; L408-K411 WeakPolarHBondContact O-CB 3.31Å; L408-K411 PolarHBondContact O-N 3.03Å; L408-K411 VanDerWaalsContact O-N 3.15Å; L408-Y412 VanDerWaalsContact O-CD2 3.26Å; L408-Y412 WeakPolarHBondContact O-CD2 3.41Å; L408-Y412 PolarHBondContact O-N 2.96Å
409	V	90.3	Very high	84.7	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-44.6	175.7	170.8	0	0	0	0	110.4	L339 L342 F388 L405 I406 K411 Y412 Y413 L421	L339-V409 HydrophobicContact CB-CG2 4.35Å; L339-V409 HydrophobicContact CD1-CG1 4.32Å; L342-V409 HydrophobicContact CD2-CG2 4.34Å; F388-V409 HydrophobicContact CE1-CG1 4.37Å; F388-V409 HydrophobicContact CZ-CG1 4.18Å; L405-V409 WeakPolarHBondContact O-CB 3.45Å; L405-V409 VanDerWaalsContact O-CG2 3.29Å; L405-V409 WeakPolarHBondContact O-CG2 3.35Å; L405-V409 PolarHBondContact O-N 3.15Å; I406-V409 PolarHBondContact O-N 3.32Å; V409-K411 VanDerWaalsContact C-N 3.34Å; V409-K411 PolarHBondContact O-N 2.91Å; V409-Y412 PolarHBondContact O-N 3.41Å; V409-Y413 HydrophobicContact CG1-CD2 3.55Å; V409-Y413 HydrophobicContact CG1-CE2 3.89Å; V409-Y413 PolarHBondContact O-N 3.01Å; V409-L421 HydrophobicContact CG1-CD1 4.39Å
410	A	89.3	Confident	85.1	Confident	19 Å²	19	53.4 Å²	53.4	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-40.4	175.8	0	0	0	0	0	112.4	I406 L408 Y412 S414 L421	I406-A410 WeakPolarHBondContact O-CB 3.48Å; I406-A410 PolarHBondContact O-N 2.95Å; L408-A410 VanDerWaalsContact C-N 3.3Å; L408-A410 PolarHBondContact O-N 3.42Å; A410-Y412 PolarHBondContact O-N 3.45Å; A410-S414 WeakPolarHBondContact O-CB 3.19Å; A410-S414 PolarHBondContact O-N 3.25Å; A410-S414 PolarHBondContact O-OG 3.02Å; A410-L421 HydrophobicContact CB-CD1 4.2Å
411	K	86.9	Confident	85.8	Confident	114 Å²	114	49.9 Å²	49.9	50%	0.496	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-33.9	177.1	-177.3	-178.9	172.8	-171.6	0	112.9	G30 N407 L408 V409	G30-K411 PolarHBondContact O-NZ 3.44Å; N407-K411 WeakPolarHBondContact O-CB 3.49Å; N407-K411 PolarHBondContact O-N 2.98Å; L408-K411 WeakPolarHBondContact O-CB 3.31Å; L408-K411 PolarHBondContact O-N 3.03Å; L408-K411 VanDerWaalsContact O-N 3.15Å; V409-K411 VanDerWaalsContact C-N 3.34Å; V409-K411 PolarHBondContact O-N 2.91Å
412	Y	86.3	Confident	86.4	Confident	80 Å²	80	47.3 Å²	47.3	31%	0.314	26%	0.262	S	S	.	.	H	α-helix	trans	-91.6	-35.9	-176.1	-79.1	-108.3	0	0	0	113.6	I32 E334 A335 L408 V409 A410	I32-Y412 HydrophobicContact CD1-CE2 3.6Å; I32-Y412 WeakPolarHBondContact CD1-OH 3.47Å; I32-Y412 HydrophobicContact CG1-CE2 4.29Å; I32-Y412 VanDerWaalsContact CG1-OH 3.31Å; I32-Y412 WeakPolarHBondContact CG1-OH 3.19Å; E334-Y412 HydrophobicContact CB-CE1 4.23Å; E334-Y412 WeakPolarHBondContact OE2-CE1 3.43Å; E334-Y412 VanDerWaalsContact OE2-CZ 3.27Å; E334-Y412 PolarHBondContact OE2-OH 3.46Å; A335-Y412 VanDerWaalsContact CB-CB 3.48Å; A335-Y412 HydrophobicContact CB-CD1 3.87Å; A335-Y412 HydrophobicContact CB-CG 3.69Å; L408-Y412 VanDerWaalsContact O-CD2 3.26Å; L408-Y412 WeakPolarHBondContact O-CD2 3.41Å; L408-Y412 PolarHBondContact O-N 2.96Å; V409-Y412 PolarHBondContact O-N 3.41Å; A410-Y412 PolarHBondContact O-N 3.45Å
413	Y	90.6	Very high	86.7	Confident	12 Å²	12	47.3 Å²	47.3	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-103.1	0.8	-176.3	-56.5	-42.6	0	0	0	113.8	A335 V336 L339 V409 N422 I425 C426 H429	A335-Y413 VanDerWaalsContact C-OH 3.31Å; A335-Y413 HydrophobicContact CB-CD1 4.49Å; A335-Y413 HydrophobicContact CB-CE1 3.73Å; A335-Y413 HydrophobicContact CB-CE2 3.99Å; A335-Y413 VanDerWaalsContact CB-CZ 3.43Å; A335-Y413 WeakPolarHBondContact CB-OH 3.2Å; V336-Y413 PolarHBondContact N-OH 3.45Å; L339-Y413 HydrophobicContact CD2-CE2 4.15Å; V409-Y413 HydrophobicContact CG1-CD2 3.55Å; V409-Y413 HydrophobicContact CG1-CE2 3.89Å; V409-Y413 PolarHBondContact O-N 3.01Å; Y413-N422 WeakPolarHBondContact O-CB 3.06Å; Y413-N422 PolarHBondContact O-N 3.29Å; Y413-I425 HydrophobicContact CD1-CB 4.23Å; Y413-I425 HydrophobicContact CD1-CG2 3.43Å; Y413-I425 VanDerWaalsContact CD1-CG2 3.43Å; Y413-I425 HydrophobicContact CE1-CG2 3.44Å; Y413-I425 VanDerWaalsContact CE1-CG2 3.44Å; Y413-I425 HydrophobicContact CG-CG2 4.13Å; Y413-C426 WeakPolarHBondContact CD2-SG 3.49Å; Y413-H429 AromaticContact CE1-CD2 3.8Å; Y413-H429 AromaticContact CE1-NE2 3.87Å; Y413-H429 AromaticContact CZ-CD2 3.56Å; Y413-H429 PolarHBondContact OH-CD2 3.31Å
414	S	88.3	Confident	87.1	Confident	30 Å²	30	46.6 Å²	46.6	21%	0.21	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-75.9	134.3	171.3	-60.7	0	0	0	0	110.4	A410 N420	A410-S414 WeakPolarHBondContact O-CB 3.19Å; A410-S414 PolarHBondContact O-N 3.25Å; A410-S414 PolarHBondContact O-OG 3.02Å; S414-N420 WeakPolarHBondContact CA-O 3.31Å
415	D	81.3	Confident	87.6	Confident	49 Å²	49	45.4 Å²	45.4	26%	0.262	25%	0.253	S	S	.	.			trans	-72.9	127.2	172.6	162.9	41.7	0	0	0	109.8	Y382 S417 S418 N419 N420	Y382-D415 HydrophobicContact CE1-CB 4.49Å; D415-S417 PolarHBondContact O-N 3.3Å; D415-S417 PolarHBondContact OD1-N 3.47Å; D415-S417 PolarHBondContact OD1-OG 2.94Å; D415-S417 PolarHBondContact OD2-OG 3.17Å; D415-S418 PolarHBondContact O-N 3.18Å; D415-S418 WeakPolarHBondContact OD2-CB 3.28Å; D415-S418 PolarHBondContact OD2-N 3.23Å; D415-S418 PolarHBondContact OD2-OG 3.22Å; D415-N419 PolarHBondContact O-N 2.98Å; D415-N420 PolarHBondContact N-O 3.2Å; D415-N420 VanDerWaalsContact N-O 3.08Å
416	P	74.6	Confident	87.9	Confident	135 Å²	135	45.4 Å²	45.4	88%	0.877	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.6	179.4	-26.6	34	0	0	0	114.1
417	S	79.7	Confident	88.1	Confident	108 Å²	108	45.4 Å²	45.4	76%	0.755	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-35.6	-175.4	86	0	0	0	0	113.7	D415	D415-S417 PolarHBondContact O-N 3.3Å; D415-S417 PolarHBondContact OD1-N 3.47Å; D415-S417 PolarHBondContact OD1-OG 2.94Å; D415-S417 PolarHBondContact OD2-OG 3.17Å
418	S	78.1	Confident	88.4	Confident	47 Å²	47	41.8 Å²	41.8	33%	0.329	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-11.5	-172.9	59.3	0	0	0	0	114.2	D415 N420	D415-S418 PolarHBondContact O-N 3.18Å; D415-S418 WeakPolarHBondContact OD2-CB 3.28Å; D415-S418 PolarHBondContact OD2-N 3.23Å; D415-S418 PolarHBondContact OD2-OG 3.22Å; S418-N420 PolarHBondContact O-N 3.13Å
419	N	81.3	Confident	88.8	Confident	137 Å²	137	41.1 Å²	41.1	73%	0.733	23%	0.23	S	C	*	.			trans	52.3	15	-171.4	-162.7	45.6	0	0	0	113.5	D415	D415-N419 PolarHBondContact O-N 2.98Å
420	N	90.5	Very high	89	Confident	55 Å²	55	41.3 Å²	41.3	29%	0.294	23%	0.231	S	C	.	.			trans	-96.1	144.2	175.6	-71.6	-35.8	0	0	0	108.8	S414 D415 S418 N422	S414-N420 WeakPolarHBondContact CA-O 3.31Å; D415-N420 PolarHBondContact N-O 3.2Å; D415-N420 VanDerWaalsContact N-O 3.08Å; S418-N420 PolarHBondContact O-N 3.13Å; N420-N422 PolarHBondContact O-N 2.94Å
421	L	91.7	Very high	89.2	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.9	176.3	-173.7	87.1	0	0	0	109.3	Y382 L383 F388 V409 A410 F423	Y382-L421 CarbonylContact C-O 3.53Å; Y382-L421 WeakPolarHBondContact CA-O 3.33Å; L383-L421 PolarHBondContact N-O 3.35Å; L383-L421 PolarHBondContact O-N 2.8Å; F388-L421 HydrophobicContact CB-CD2 4.01Å; F388-L421 HydrophobicContact CD1-CD2 3.79Å; F388-L421 HydrophobicContact CD2-CD2 3.19Å; F388-L421 HydrophobicContact CE1-CD2 3.96Å; F388-L421 HydrophobicContact CE2-CD2 3.38Å; F388-L421 HydrophobicContact CG-CD2 3.39Å; F388-L421 HydrophobicContact CZ-CD2 3.74Å; V409-L421 HydrophobicContact CG1-CD1 4.39Å; A410-L421 HydrophobicContact CB-CD1 4.2Å; L421-F423 VanDerWaalsContact C-N 3.32Å; L421-F423 PolarHBondContact O-N 2.91Å
422	N	93.4	Very high	89.5	Confident	11 Å²	11	35.2 Å²	35.2	6%	0.059	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	90.9	166.9	-171.5	-23.9	0	0	0	109.1	Y382 Y413 N420 R424 I425	Y382-N422 HydrophobicContact CD1-CB 4.16Å; Y382-N422 HydrophobicContact CE1-CB 3.9Å; Y413-N422 WeakPolarHBondContact O-CB 3.06Å; Y413-N422 PolarHBondContact O-N 3.29Å; N420-N422 PolarHBondContact O-N 2.94Å; N422-R424 PolarHBondContact O-N 2.99Å; N422-R424 VanDerWaalsContact OD1-CB 3.31Å; N422-R424 WeakPolarHBondContact OD1-CB 3.34Å; N422-R424 PolarHBondContact OD1-N 2.82Å; N422-I425 HydrophobicContact CB-CD1 3.89Å; N422-I425 HydrophobicContact CB-CG1 4.18Å; N422-I425 WeakPolarHBondContact ND2-CD1 3.49Å; N422-I425 PolarHBondContact O-N 3.1Å; N422-I425 PolarHBondContact OD1-N 2.62Å
423	F	94.6	Very high	89.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.4	-23.6	-177.6	-174.4	-131.4	0	0	0	112.1	M373 V376 C377 P381 L383 F388 T391 L421 C426 M427	M373-F423 HydrophobicContact CB-CZ 4.15Å; M373-F423 HydrophobicContact CE-CE2 4.14Å; M373-F423 HydrophobicContact CE-CZ 3.93Å; M373-F423 WeakPolarHBondContact O-CE1 3.34Å; V376-F423 HydrophobicContact CB-CE1 4.45Å; V376-F423 HydrophobicContact CG1-CE1 4.41Å; C377-F423 HydrophobicContact CB-CD1 3.64Å; C377-F423 HydrophobicContact CB-CE1 3.78Å; P381-F423 WeakPolarHBondContact O-CB 3.31Å; P381-F423 PolarHBondContact O-N 2.8Å; L383-F423 HydrophobicContact CD1-CB 3.87Å; L383-F423 HydrophobicContact CD1-CD1 3.55Å; L383-F423 HydrophobicContact CD1-CD2 4.02Å; L383-F423 HydrophobicContact CD1-CE1 4.03Å; L383-F423 HydrophobicContact CD1-CE2 4.46Å; L383-F423 HydrophobicContact CD1-CG 3.55Å; L383-F423 HydrophobicContact CD1-CZ 4.46Å; L383-F423 HydrophobicContact CG-CB 3.85Å; L383-F423 HydrophobicContact CG-CD1 4.17Å; L383-F423 HydrophobicContact CG-CG 4.09Å; F388-F423 AromaticContact CD2-CD2 3.81Å; F388-F423 HydrophobicContact CD2-CD2 3.81Å; F388-F423 AromaticContact CD2-CE2 4Å; F388-F423 HydrophobicContact CD2-CE2 4Å; F388-F423 AromaticContact CE2-CD2 3.77Å; F388-F423 HydrophobicContact CE2-CD2 3.77Å; F388-F423 AromaticContact CE2-CE2 3.83Å; F388-F423 HydrophobicContact CE2-CE2 3.83Å; T391-F423 HydrophobicContact CG2-CE1 4.1Å; T391-F423 HydrophobicContact CG2-CZ 3.77Å; L421-F423 VanDerWaalsContact C-N 3.32Å; L421-F423 PolarHBondContact O-N 2.91Å; F423-C426 HydrophobicContact CD2-CB 4.05Å; F423-C426 WeakPolarHBondContact O-CB 3.45Å; F423-C426 PolarHBondContact O-N 3.24Å; F423-M427 HydrophobicContact CD1-CG 4.27Å; F423-M427 HydrophobicContact CD2-CG 4.46Å; F423-M427 HydrophobicContact CE1-CG 4.01Å; F423-M427 HydrophobicContact CE1-SD 4.02Å; F423-M427 HydrophobicContact CE2-CG 4.2Å; F423-M427 HydrophobicContact CE2-SD 3.74Å; F423-M427 HydrophobicContact CG-CG 4.49Å; F423-M427 HydrophobicContact CZ-CG 3.97Å; F423-M427 HydrophobicContact CZ-SD 3.44Å; F423-M427 WeakPolarHBondContact CZ-SD 3.44Å; F423-M427 WeakPolarHBondContact O-CG 3.43Å; F423-M427 PolarHBondContact O-N 3.36Å
424	R	94.5	Very high	89.7	Confident	33 Å²	33	32.6 Å²	32.6	13%	0.125	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-42.2	175.3	-177.7	-175.5	-73.7	170	3.4	112	C377 P381 N422 C426 M427 V428 Y450 E474 F478	C377-R424 VanDerWaalsContact SG-CA 3.57Å; P381-R424 HydrophobicContact CB-CB 4.44Å; N422-R424 PolarHBondContact O-N 2.99Å; N422-R424 VanDerWaalsContact OD1-CB 3.31Å; N422-R424 WeakPolarHBondContact OD1-CB 3.34Å; N422-R424 PolarHBondContact OD1-N 2.82Å; R424-C426 VanDerWaalsContact C-N 3.32Å; R424-C426 PolarHBondContact O-N 2.78Å; R424-M427 PolarHBondContact O-N 3.42Å; R424-V428 WeakPolarHBondContact O-CG2 3.46Å; R424-V428 PolarHBondContact O-N 2.92Å; R424-Y450 VanDerWaalsContact CD-CE1 3.42Å; R424-Y450 HydrophobicContact CG-CE1 4.23Å; R424-Y450 HydrophobicContact CG-CE2 4.21Å; R424-E474 WeakPolarHBondContact CD-OE2 3.44Å; R424-E474 IonicContact CZ-OE2 2.67Å; R424-E474 IonicContact NE-OE2 2.9Å; R424-E474 IonicContact NH1-OE1 3.95Å; R424-E474 IonicContact NH1-OE2 3.89Å; R424-E474 PolarHBondContact NH1-OE2 2.89Å; R424-F478 HydrophobicContact CG-CE2 4.4Å
425	I	94.3	Very high	89.8	Confident	25 Å²	25	31.9 Å²	31.9	13%	0.128	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-45.8	173.5	-63.8	173.8	0	0	0	110.3	Y413 N422 M427 V428 H429 F478	Y413-I425 HydrophobicContact CD1-CB 4.23Å; Y413-I425 HydrophobicContact CD1-CG2 3.43Å; Y413-I425 VanDerWaalsContact CD1-CG2 3.43Å; Y413-I425 HydrophobicContact CE1-CG2 3.44Å; Y413-I425 VanDerWaalsContact CE1-CG2 3.44Å; Y413-I425 HydrophobicContact CG-CG2 4.13Å; N422-I425 HydrophobicContact CB-CD1 3.89Å; N422-I425 HydrophobicContact CB-CG1 4.18Å; N422-I425 WeakPolarHBondContact ND2-CD1 3.49Å; N422-I425 PolarHBondContact O-N 3.1Å; N422-I425 PolarHBondContact OD1-N 2.62Å; I425-M427 VanDerWaalsContact C-N 3.35Å; I425-M427 PolarHBondContact O-N 3.3Å; I425-V428 PolarHBondContact O-N 3.49Å; I425-H429 WeakPolarHBondContact CG2-NE2 3.4Å; I425-H429 PolarHBondContact O-CD2 2.91Å; I425-H429 PolarHBondContact O-N 2.66Å; I425-F478 HydrophobicContact CB-CD2 4.45Å; I425-F478 HydrophobicContact CD1-CD1 3.99Å; I425-F478 HydrophobicContact CD1-CE1 3.73Å; I425-F478 HydrophobicContact CD1-CE2 4.28Å; I425-F478 HydrophobicContact CD1-CG 4.39Å; I425-F478 HydrophobicContact CD1-CZ 3.89Å; I425-F478 HydrophobicContact CG1-CB 4.41Å; I425-F478 HydrophobicContact CG1-CD1 3.76Å; I425-F478 HydrophobicContact CG1-CD2 3.52Å; I425-F478 HydrophobicContact CG1-CE1 3.76Å; I425-F478 HydrophobicContact CG1-CE2 3.49Å; I425-F478 VanDerWaalsContact CG1-CE2 3.49Å; I425-F478 HydrophobicContact CG1-CG 3.65Å; I425-F478 HydrophobicContact CG1-CZ 3.64Å
426	C	94.4	Very high	90.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-48.1	176.1	-60.5	0	0	0	0	111.7	L339 Y413 F423 R424 V428 H429 I430	L339-C426 HydrophobicContact CD1-CB 4.43Å; L339-C426 HydrophobicContact CD2-CB 4.22Å; L339-C426 WeakPolarHBondContact CD2-O 3.33Å; Y413-C426 WeakPolarHBondContact CD2-SG 3.49Å; F423-C426 HydrophobicContact CD2-CB 4.05Å; F423-C426 WeakPolarHBondContact O-CB 3.45Å; F423-C426 PolarHBondContact O-N 3.24Å; R424-C426 VanDerWaalsContact C-N 3.32Å; R424-C426 PolarHBondContact O-N 2.78Å; C426-V428 PolarHBondContact O-N 2.82Å; C426-H429 PolarHBondContact O-N 3.5Å; C426-I430 WeakPolarHBondContact O-CB 3.44Å; C426-I430 WeakPolarHBondContact O-CD1 3.42Å; C426-I430 WeakPolarHBondContact O-CG1 3.39Å; C426-I430 PolarHBondContact O-N 3.22Å
427	M	94.8	Very high	90.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-40.5	-178.3	-67.5	-48.9	-66.7	0	0	112.2	F370 M373 L374 C377 F423 R424 I425 I430 S431 A449	F370-M427 HydrophobicContact CD2-CE 3.67Å; F370-M427 HydrophobicContact CE2-CE 3.33Å; F370-M427 HydrophobicContact CZ-CE 4.3Å; M373-M427 HydrophobicContact CB-CE 3.72Å; M373-M427 HydrophobicContact CB-SD 4.03Å; M373-M427 HydrophobicContact CE-CE 4.46Å; M373-M427 HydrophobicContact CE-SD 3.83Å; L374-M427 HydrophobicContact CB-CE 4.38Å; L374-M427 HydrophobicContact CD2-CB 4.17Å; L374-M427 HydrophobicContact CD2-CE 3.46Å; L374-M427 VanDerWaalsContact CD2-CE 3.46Å; L374-M427 HydrophobicContact CD2-CG 4.45Å; L374-M427 HydrophobicContact CG-CE 3.54Å; C377-M427 HydrophobicContact CB-CG 3.88Å; F423-M427 HydrophobicContact CD1-CG 4.27Å; F423-M427 HydrophobicContact CD2-CG 4.46Å; F423-M427 HydrophobicContact CE1-CG 4.01Å; F423-M427 HydrophobicContact CE1-SD 4.02Å; F423-M427 HydrophobicContact CE2-CG 4.2Å; F423-M427 HydrophobicContact CE2-SD 3.74Å; F423-M427 HydrophobicContact CG-CG 4.49Å; F423-M427 HydrophobicContact CZ-CG 3.97Å; F423-M427 HydrophobicContact CZ-SD 3.44Å; F423-M427 WeakPolarHBondContact CZ-SD 3.44Å; F423-M427 WeakPolarHBondContact O-CG 3.43Å; F423-M427 PolarHBondContact O-N 3.36Å; R424-M427 PolarHBondContact O-N 3.42Å; I425-M427 VanDerWaalsContact C-N 3.35Å; I425-M427 PolarHBondContact O-N 3.3Å; M427-I430 PolarHBondContact O-N 2.8Å; M427-I430 HydrophobicContact SD-CD1 4.05Å; M427-S431 PolarHBondContact O-N 3.4Å; M427-S431 PolarHBondContact O-OG 2.96Å; M427-A449 HydrophobicContact CB-CB 4.01Å
428	V	95	Very high	91.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60	-48.6	175	171.4	0	0	0	0	110.7	R424 I425 C426 I430 S431 M432 A446 Y450 L475 F478 A479	R424-V428 WeakPolarHBondContact O-CG2 3.46Å; R424-V428 PolarHBondContact O-N 2.92Å; I425-V428 PolarHBondContact O-N 3.49Å; C426-V428 PolarHBondContact O-N 2.82Å; V428-I430 PolarHBondContact O-N 3.34Å; V428-S431 WeakPolarHBondContact O-CB 3.43Å; V428-S431 PolarHBondContact O-N 2.9Å; V428-M432 WeakPolarHBondContact O-CG 3.39Å; V428-M432 PolarHBondContact O-N 2.93Å; V428-M432 VanDerWaalsContact O-N 3.13Å; V428-A446 HydrophobicContact CG2-CB 4.49Å; V428-Y450 HydrophobicContact CG2-CE2 4.2Å; V428-L475 HydrophobicContact CG2-CG 4.41Å; V428-F478 HydrophobicContact CG1-CB 4.42Å; V428-A479 HydrophobicContact CG1-CB 3.72Å
429	H	95.2	Very high	91.8	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.019	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-38.8	177.2	-69.9	-52.2	0	0	0	113	V336 L339 Y413 I425 C426 S431 M432 L433 F478 Y531	V336-H429 HydrophobicContact CG2-CB 4.37Å; L339-H429 HydrophobicContact CD2-CB 3.8Å; Y413-H429 AromaticContact CE1-CD2 3.8Å; Y413-H429 AromaticContact CE1-NE2 3.87Å; Y413-H429 AromaticContact CZ-CD2 3.56Å; Y413-H429 PolarHBondContact OH-CD2 3.31Å; I425-H429 WeakPolarHBondContact CG2-NE2 3.4Å; I425-H429 PolarHBondContact O-CD2 2.91Å; I425-H429 PolarHBondContact O-N 2.66Å; C426-H429 PolarHBondContact O-N 3.5Å; H429-S431 VanDerWaalsContact C-N 3.34Å; H429-S431 PolarHBondContact O-N 3.36Å; H429-M432 PolarHBondContact O-N 3.34Å; H429-L433 WeakPolarHBondContact O-CB 3.36Å; H429-L433 VanDerWaalsContact O-CG 3.27Å; H429-L433 WeakPolarHBondContact O-CG 3.45Å; H429-L433 PolarHBondContact O-N 2.99Å; H429-F478 PolarHBondContact CE1-O 3.07Å; H429-Y531 PolarHBondContact ND1-OH 3.26Å
430	I	94	Very high	92.2	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-45.7	174.8	-70.3	162.6	0	0	0	109.9	L339 L343 F370 M373 C426 M427 V428 M432 L433 L434	L339-I430 HydrophobicContact CD1-CD1 4.2Å; L339-I430 HydrophobicContact CD1-CG1 4.31Å; L339-I430 HydrophobicContact CD2-CD1 4.35Å; L339-I430 HydrophobicContact CD2-CG1 3.79Å; L339-I430 HydrophobicContact CG-CD1 4.42Å; L339-I430 HydrophobicContact CG-CG1 3.98Å; L343-I430 HydrophobicContact CD2-CG2 4.17Å; F370-I430 HydrophobicContact CD2-CG2 3.92Å; F370-I430 HydrophobicContact CE2-CB 4.19Å; F370-I430 HydrophobicContact CE2-CG2 3.41Å; F370-I430 VanDerWaalsContact CE2-CG2 3.41Å; F370-I430 HydrophobicContact CZ-CG2 4.18Å; M373-I430 HydrophobicContact CE-CD1 4.12Å; C426-I430 WeakPolarHBondContact O-CB 3.44Å; C426-I430 WeakPolarHBondContact O-CD1 3.42Å; C426-I430 WeakPolarHBondContact O-CG1 3.39Å; C426-I430 PolarHBondContact O-N 3.22Å; M427-I430 PolarHBondContact O-N 2.8Å; M427-I430 HydrophobicContact SD-CD1 4.05Å; V428-I430 PolarHBondContact O-N 3.34Å; I430-M432 VanDerWaalsContact C-N 3.3Å; I430-M432 PolarHBondContact O-N 3.5Å; I430-L433 PolarHBondContact O-N 3.37Å; I430-L434 HydrophobicContact CG2-CD1 3.46Å; I430-L434 VanDerWaalsContact CG2-CD1 3.46Å; I430-L434 HydrophobicContact CG2-CG 4.01Å; I430-L434 WeakPolarHBondContact O-CB 3.49Å; I430-L434 WeakPolarHBondContact O-CG 3.37Å; I430-L434 PolarHBondContact O-N 2.8Å
431	S	94	Very high	92.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.3	-43.8	175.8	-57.4	0	0	0	0	112.3	F370 M427 V428 H429 F435 A442 A446	F370-S431 WeakPolarHBondContact CZ-OG 3.46Å; M427-S431 PolarHBondContact O-N 3.4Å; M427-S431 PolarHBondContact O-OG 2.96Å; V428-S431 WeakPolarHBondContact O-CB 3.43Å; V428-S431 PolarHBondContact O-N 2.9Å; H429-S431 VanDerWaalsContact C-N 3.34Å; H429-S431 PolarHBondContact O-N 3.36Å; S431-F435 WeakPolarHBondContact O-CD2 3.28Å; S431-F435 PolarHBondContact O-N 2.95Å; S431-A442 WeakPolarHBondContact CB-O 3.37Å; S431-A446 PolarHBondContact OG-N 3.49Å
432	M	94	Very high	92.3	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.03	11%	0.113	C	C	.	.	H	α-helix	trans	-69.4	-38.2	179.1	-61.8	-60.6	164.6	0	0	112.8	V428 H429 I430 A442 F443 A446 A479 F480 Y531	V428-M432 WeakPolarHBondContact O-CG 3.39Å; V428-M432 PolarHBondContact O-N 2.93Å; V428-M432 VanDerWaalsContact O-N 3.13Å; H429-M432 PolarHBondContact O-N 3.34Å; I430-M432 VanDerWaalsContact C-N 3.3Å; I430-M432 PolarHBondContact O-N 3.5Å; M432-A442 HydrophobicContact SD-CB 3.68Å; M432-F443 HydrophobicContact CE-CD2 3.76Å; M432-F443 HydrophobicContact CE-CE2 3.82Å; M432-F443 HydrophobicContact CE-CG 4.2Å; M432-F443 HydrophobicContact CE-CZ 4.31Å; M432-F443 HydrophobicContact SD-CD2 4.32Å; M432-F443 HydrophobicContact SD-CE2 4.32Å; M432-A446 HydrophobicContact CE-CB 4.04Å; M432-A479 HydrophobicContact CE-CB 4.06Å; M432-F480 HydrophobicContact CE-CZ 4.48Å; M432-F480 HydrophobicContact SD-CZ 4.45Å; M432-Y531 HydrophobicContact CB-CD1 3.69Å; M432-Y531 HydrophobicContact CB-CD2 3.84Å; M432-Y531 HydrophobicContact CB-CE1 3.61Å; M432-Y531 HydrophobicContact CB-CE2 3.78Å; M432-Y531 HydrophobicContact CB-CG 3.8Å; M432-Y531 HydrophobicContact CG-CD2 4.21Å; M432-Y531 HydrophobicContact CG-CE2 3.93Å
433	L	91.3	Very high	92.3	Very high	22 Å²	22	22.9 Å²	22.9	12%	0.115	11%	0.11	C	C	.	.	H	α-helix	trans	-72.5	-29.2	178.9	-75	170.6	0	0	0	113.5	V336 N340 H429 I430 P436 Y531 F534	V336-L433 HydrophobicContact CG1-CD1 3.82Å; V336-L433 HydrophobicContact CG1-CD2 3.79Å; V336-L433 HydrophobicContact CG1-CG 3.99Å; N340-L433 HydrophobicContact CB-CD1 3.85Å; N340-L433 HydrophobicContact CB-CD2 4.45Å; H429-L433 WeakPolarHBondContact O-CB 3.36Å; H429-L433 VanDerWaalsContact O-CG 3.27Å; H429-L433 WeakPolarHBondContact O-CG 3.45Å; H429-L433 PolarHBondContact O-N 2.99Å; I430-L433 PolarHBondContact O-N 3.37Å; L433-P436 WeakPolarHBondContact O-CD 3.21Å; L433-Y531 HydrophobicContact CD2-CD1 4.42Å; L433-F534 HydrophobicContact CD2-CE1 3.96Å
434	L	89.2	Confident	92.2	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.073	12%	0.123	C	C	.	.	H	α-helix	trans	-80.1	-34.4	180	-73.7	172.2	0	0	0	113.2	L343 F366 F370 I430 P436 L549 I550	L343-L434 HydrophobicContact CD2-CD2 3.97Å; L343-L434 HydrophobicContact CD2-CG 4.37Å; F366-L434 HydrophobicContact CE1-CD1 3.5Å; F366-L434 HydrophobicContact CE1-CD2 3.43Å; F366-L434 VanDerWaalsContact CE1-CD2 3.43Å; F366-L434 HydrophobicContact CE1-CG 4.08Å; F366-L434 HydrophobicContact CZ-CD1 3.84Å; F366-L434 HydrophobicContact CZ-CD2 3.48Å; F366-L434 VanDerWaalsContact CZ-CD2 3.48Å; F366-L434 HydrophobicContact CZ-CG 4.25Å; F370-L434 HydrophobicContact CD1-CD1 4.2Å; F370-L434 HydrophobicContact CD2-CD1 4.1Å; F370-L434 HydrophobicContact CE1-CD1 4.08Å; F370-L434 HydrophobicContact CE2-CD1 4.01Å; F370-L434 HydrophobicContact CG-CD1 4.2Å; F370-L434 HydrophobicContact CZ-CD1 3.99Å; I430-L434 HydrophobicContact CG2-CD1 3.46Å; I430-L434 VanDerWaalsContact CG2-CD1 3.46Å; I430-L434 HydrophobicContact CG2-CG 4.01Å; I430-L434 WeakPolarHBondContact O-CB 3.49Å; I430-L434 WeakPolarHBondContact O-CG 3.37Å; I430-L434 PolarHBondContact O-N 2.8Å; L434-P436 VanDerWaalsContact O-CD 3.31Å; L434-P436 WeakPolarHBondContact O-CD 3.2Å; L434-L549 HydrophobicContact CD2-CB 4.4Å; L434-L549 HydrophobicContact CD2-CD1 4.22Å; L434-I550 HydrophobicContact CD2-CD1 4.46Å
435	F	90.3	Very high	92.1	Very high	15 Å²	15	25.1 Å²	25.1	7%	0.066	12%	0.119	C	C	.	.			trans	-119.5	50.5	-177	-54.9	-77.8	0	0	0	112.6	F370 S431 K437 L438 Q441 A442 Y445 I550	F370-F435 HydrophobicContact CE1-CE2 4.25Å; S431-F435 WeakPolarHBondContact O-CD2 3.28Å; S431-F435 PolarHBondContact O-N 2.95Å; F435-K437 VanDerWaalsContact C-N 3.26Å; F435-K437 PolarHBondContact O-N 3.23Å; F435-L438 CarbonylContact O-C 3.57Å; F435-L438 PolarHBondContact O-N 2.71Å; F435-L438 VanDerWaalsContact O-N 3.11Å; F435-Q441 HydrophobicContact CB-CB 4.4Å; F435-Q441 HydrophobicContact CD1-CB 4.33Å; F435-Q441 HydrophobicContact CG-CB 4.29Å; F435-A442 HydrophobicContact CB-CB 3.93Å; F435-Y445 AromaticContact CD2-CD2 3.88Å; F435-Y445 HydrophobicContact CD2-CD2 3.88Å; F435-Y445 HydrophobicContact CD2-CE2 4.42Å; F435-Y445 HydrophobicContact CE1-CE2 4.25Å; F435-Y445 AromaticContact CE2-CD2 3.32Å; F435-Y445 HydrophobicContact CE2-CD2 3.32Å; F435-Y445 AromaticContact CE2-CE2 3.61Å; F435-Y445 HydrophobicContact CE2-CE2 3.61Å; F435-Y445 HydrophobicContact CE2-CG 4.05Å; F435-Y445 AromaticContact CZ-CD2 3.76Å; F435-Y445 HydrophobicContact CZ-CD2 3.76Å; F435-Y445 AromaticContact CZ-CE2 3.5Å; F435-Y445 HydrophobicContact CZ-CE2 3.5Å; F435-I550 HydrophobicContact CE1-CD1 4.27Å; F435-I550 HydrophobicContact CZ-CD1 4.23Å
436	P	88.5	Confident	92.1	Very high	17 Å²	17	24 Å²	24	11%	0.11	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.4	-175	27.8	-34.7	0	0	0	112.2	L433 L434 A532 D535	L433-P436 WeakPolarHBondContact O-CD 3.21Å; L434-P436 VanDerWaalsContact O-CD 3.31Å; L434-P436 WeakPolarHBondContact O-CD 3.2Å; P436-A532 WeakPolarHBondContact O-CA 3.45Å; P436-A532 WeakPolarHBondContact O-CB 3.4Å; P436-D535 HydrophobicContact CB-CB 3.62Å; P436-D535 HydrophobicContact CG-CB 3.72Å
437	K	87.4	Confident	92.1	Very high	109 Å²	109	24 Å²	24	47%	0.474	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-15.2	177.5	-64.6	178.1	-176.1	169.3	0	113.7	F435 D535	F435-K437 VanDerWaalsContact C-N 3.26Å; F435-K437 PolarHBondContact O-N 3.23Å; K437-D535 WeakPolarHBondContact CE-OD2 3.26Å
438	L	90.4	Very high	92	Very high	67 Å²	67	25 Å²	25	35%	0.351	12%	0.118	S	C	.	.			trans	-128.8	73.4	-176.8	-65.5	172.3	0	0	0	110.1	F435 H440 Q441 A442	F435-L438 CarbonylContact O-C 3.57Å; F435-L438 PolarHBondContact O-N 2.71Å; F435-L438 VanDerWaalsContact O-N 3.11Å; L438-H440 VanDerWaalsContact C-N 3.26Å; L438-H440 PolarHBondContact O-N 3.01Å; L438-Q441 HydrophobicContact CB-CB 4.14Å; L438-Q441 HydrophobicContact CB-CG 4.2Å; L438-Q441 WeakPolarHBondContact O-CB 3.29Å; L438-Q441 PolarHBondContact O-N 3.48Å; L438-A442 PolarHBondContact O-N 2.97Å
439	P	89.2	Confident	91.8	Very high	19 Å²	19	25 Å²	25	12%	0.123	12%	0.118	C	C	.	.	H	α-helix	trans	-56.6	-35.5	-175.8	-27	35.6	0	0	0	113.9	Q441 A442 F443 Y517	P439-Q441 VanDerWaalsContact C-N 3.31Å; P439-Q441 PolarHBondContact O-N 3.25Å; P439-A442 WeakPolarHBondContact O-CB 3.29Å; P439-A442 PolarHBondContact O-N 3.32Å; P439-A442 VanDerWaalsContact O-N 3.16Å; P439-F443 VanDerWaalsContact O-CD2 3.32Å; P439-F443 WeakPolarHBondContact O-CD2 3.43Å; P439-F443 PolarHBondContact O-N 2.91Å; P439-Y517 HydrophobicContact CB-CD2 3.8Å; P439-Y517 HydrophobicContact CB-CE1 4.31Å; P439-Y517 HydrophobicContact CB-CE2 3.27Å; P439-Y517 HydrophobicContact CB-CG 4.49Å; P439-Y517 HydrophobicContact CG-CE2 4.08Å
440	H	89.6	Confident	91.7	Very high	74 Å²	74	24.8 Å²	24.8	34%	0.343	12%	0.117	S	C	.	.	H	α-helix	trans	-58.3	-42.3	175.6	-65	-87.7	0	0	0	112.3	L438 Y444 Y517	L438-H440 VanDerWaalsContact C-N 3.26Å; L438-H440 PolarHBondContact O-N 3.01Å; H440-Y444 WeakPolarHBondContact O-CB 3.37Å; H440-Y444 PolarHBondContact O-N 2.85Å; H440-Y517 AromaticContact CD2-CD1 3.99Å; H440-Y517 AromaticContact CD2-CE1 3.75Å; H440-Y517 AromaticContact CE1-CD1 3.25Å; H440-Y517 WeakPolarHBondContact CE1-CD1 3.38Å; H440-Y517 AromaticContact CE1-CE1 3.43Å; H440-Y517 VanDerWaalsContact CE1-CE1 3.43Å; H440-Y517 WeakPolarHBondContact CE1-CE1 3.47Å; H440-Y517 AromaticContact CG-CD1 3.85Å; H440-Y517 AromaticContact ND1-CD1 3.38Å; H440-Y517 WeakPolarHBondContact ND1-CD1 3.42Å; H440-Y517 AromaticContact ND1-CE1 3.89Å; H440-Y517 AromaticContact NE2-CD1 3.63Å; H440-Y517 AromaticContact NE2-CE1 3.3Å; H440-Y517 VanDerWaalsContact NE2-CE1 3.3Å; H440-Y517 WeakPolarHBondContact NE2-CE1 3.46Å
441	Q	90.5	Very high	91.5	Very high	71 Å²	71	29 Å²	29	33%	0.332	14%	0.14	S	C	.	.	H	α-helix	trans	-70	-39.8	175.9	-67.9	-175.4	-9.8	0	0	111.3	F435 L438 P439 F443 Y444 Y445	F435-Q441 HydrophobicContact CB-CB 4.4Å; F435-Q441 HydrophobicContact CD1-CB 4.33Å; F435-Q441 HydrophobicContact CG-CB 4.29Å; L438-Q441 HydrophobicContact CB-CB 4.14Å; L438-Q441 HydrophobicContact CB-CG 4.2Å; L438-Q441 WeakPolarHBondContact O-CB 3.29Å; L438-Q441 PolarHBondContact O-N 3.48Å; P439-Q441 VanDerWaalsContact C-N 3.31Å; P439-Q441 PolarHBondContact O-N 3.25Å; Q441-F443 VanDerWaalsContact C-N 3.31Å; Q441-F443 PolarHBondContact O-N 3.33Å; Q441-Y444 WeakPolarHBondContact O-CB 3.46Å; Q441-Y444 PolarHBondContact O-N 3.49Å; Q441-Y445 VanDerWaalsContact O-CD2 3.27Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.22Å; Q441-Y445 PolarHBondContact O-N 3.3Å
442	A	92.7	Very high	91.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-55.8	-47.9	174.7	0	0	0	0	0	111.3	S431 M432 F435 L438 P439 Y445 A446	S431-A442 WeakPolarHBondContact CB-O 3.37Å; M432-A442 HydrophobicContact SD-CB 3.68Å; F435-A442 HydrophobicContact CB-CB 3.93Å; L438-A442 PolarHBondContact O-N 2.97Å; P439-A442 WeakPolarHBondContact O-CB 3.29Å; P439-A442 PolarHBondContact O-N 3.32Å; P439-A442 VanDerWaalsContact O-N 3.16Å; A442-Y445 PolarHBondContact O-N 2.93Å; A442-A446 VanDerWaalsContact O-CB 3.31Å; A442-A446 WeakPolarHBondContact O-CB 3.33Å; A442-A446 PolarHBondContact O-N 3.19Å
443	F	93.5	Very high	90.4	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-40.9	176.6	-89.8	-103.4	0	0	0	112.5	M432 P439 Q441 Y445 A446 T447 L475 L476 F480 G513 L516 Y517 L520	M432-F443 HydrophobicContact CE-CD2 3.76Å; M432-F443 HydrophobicContact CE-CE2 3.82Å; M432-F443 HydrophobicContact CE-CG 4.2Å; M432-F443 HydrophobicContact CE-CZ 4.31Å; M432-F443 HydrophobicContact SD-CD2 4.32Å; M432-F443 HydrophobicContact SD-CE2 4.32Å; P439-F443 VanDerWaalsContact O-CD2 3.32Å; P439-F443 WeakPolarHBondContact O-CD2 3.43Å; P439-F443 PolarHBondContact O-N 2.91Å; Q441-F443 VanDerWaalsContact C-N 3.31Å; Q441-F443 PolarHBondContact O-N 3.33Å; F443-Y445 VanDerWaalsContact C-N 3.34Å; F443-Y445 PolarHBondContact O-N 3.24Å; F443-A446 PolarHBondContact O-N 3.28Å; F443-T447 WeakPolarHBondContact O-CG2 3.38Å; F443-T447 PolarHBondContact O-N 3.01Å; F443-T447 PolarHBondContact O-OG1 2.89Å; F443-L475 HydrophobicContact CD1-CD2 4.35Å; F443-L475 HydrophobicContact CE1-CD2 4.21Å; F443-L476 HydrophobicContact CE1-CD2 4.27Å; F443-F480 HydrophobicContact CE1-CE2 4.31Å; F443-F480 AromaticContact CE2-CE2 3.9Å; F443-F480 HydrophobicContact CE2-CE2 3.9Å; F443-F480 AromaticContact CE2-CZ 3.76Å; F443-F480 HydrophobicContact CE2-CZ 3.76Å; F443-F480 AromaticContact CZ-CE2 3.39Å; F443-F480 HydrophobicContact CZ-CE2 3.39Å; F443-F480 AromaticContact CZ-CZ 3.73Å; F443-F480 HydrophobicContact CZ-CZ 3.73Å; F443-G513 WeakPolarHBondContact CB-O 3.45Å; F443-L516 HydrophobicContact CD1-CB 4.23Å; F443-L516 HydrophobicContact CD1-CD2 4.01Å; F443-L516 HydrophobicContact CD1-CG 4.15Å; F443-L516 HydrophobicContact CE1-CB 4.43Å; F443-L516 HydrophobicContact CE1-CD2 3.99Å; F443-L516 HydrophobicContact CE1-CG 3.95Å; F443-Y517 AromaticContact CD2-CD2 3.87Å; F443-Y517 HydrophobicContact CD2-CD2 3.87Å; F443-Y517 HydrophobicContact CD2-CG 4.22Å; F443-Y517 AromaticContact CE2-CD2 3.59Å; F443-Y517 HydrophobicContact CE2-CD2 3.59Å; F443-Y517 HydrophobicContact CE2-CG 4.29Å; F443-Y517 HydrophobicContact CZ-CD2 4.19Å; F443-L520 HydrophobicContact CZ-CD2 3.79Å
444	Y	92.7	Very high	89.1	Confident	67 Å²	67	36.7 Å²	36.7	26%	0.263	19%	0.194	S	C	.	.	H	α-helix	trans	-58.8	-43.1	175.5	174	-100.5	0	0	0	112.6	H440 Q441 T447 K448 W465	H440-Y444 WeakPolarHBondContact O-CB 3.37Å; H440-Y444 PolarHBondContact O-N 2.85Å; Q441-Y444 WeakPolarHBondContact O-CB 3.46Å; Q441-Y444 PolarHBondContact O-N 3.49Å; Y444-T447 PolarHBondContact O-OG1 3.27Å; Y444-K448 HydrophobicContact CE1-CD 4.2Å; Y444-K448 VanDerWaalsContact CE1-CE 3.42Å; Y444-K448 VanDerWaalsContact CZ-CE 3.43Å; Y444-K448 PolarHBondContact O-N 3.49Å; Y444-K448 VanDerWaalsContact OH-CE 3.26Å; Y444-K448 WeakPolarHBondContact OH-CE 3.33Å; Y444-K448 PolarHBondContact OH-NZ 2.94Å; Y444-W465 HydrophobicContact CE2-CB 4.36Å
445	Y	93.1	Very high	87.7	Confident	13 Å²	13	38 Å²	38	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-74.1	-32.6	175.2	-77	-72.9	0	0	0	112.7	Q367 F370 E371 L374 F435 Q441 A442 F443 T447 K448	Q367-Y445 PolarHBondContact NE2-OH 3.09Å; F370-Y445 HydrophobicContact CD1-CD1 4.07Å; F370-Y445 HydrophobicContact CD1-CE1 4.35Å; F370-Y445 AromaticContact CE1-CD1 3.6Å; F370-Y445 HydrophobicContact CE1-CD1 3.6Å; F370-Y445 HydrophobicContact CE1-CD2 4.46Å; F370-Y445 HydrophobicContact CE1-CE1 4.29Å; F370-Y445 AromaticContact CE1-CG 3.7Å; F370-Y445 HydrophobicContact CE1-CG 3.7Å; E371-Y445 WeakPolarHBondContact OE1-CE1 3.49Å; L374-Y445 HydrophobicContact CD1-CD1 3.97Å; F435-Y445 AromaticContact CD2-CD2 3.88Å; F435-Y445 HydrophobicContact CD2-CD2 3.88Å; F435-Y445 HydrophobicContact CD2-CE2 4.42Å; F435-Y445 HydrophobicContact CE1-CE2 4.25Å; F435-Y445 AromaticContact CE2-CD2 3.32Å; F435-Y445 HydrophobicContact CE2-CD2 3.32Å; F435-Y445 AromaticContact CE2-CE2 3.61Å; F435-Y445 HydrophobicContact CE2-CE2 3.61Å; F435-Y445 HydrophobicContact CE2-CG 4.05Å; F435-Y445 AromaticContact CZ-CD2 3.76Å; F435-Y445 HydrophobicContact CZ-CD2 3.76Å; F435-Y445 AromaticContact CZ-CE2 3.5Å; F435-Y445 HydrophobicContact CZ-CE2 3.5Å; Q441-Y445 VanDerWaalsContact O-CD2 3.27Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.22Å; Q441-Y445 PolarHBondContact O-N 3.3Å; A442-Y445 PolarHBondContact O-N 2.93Å; F443-Y445 VanDerWaalsContact C-N 3.34Å; F443-Y445 PolarHBondContact O-N 3.24Å; Y445-T447 VanDerWaalsContact C-N 3.35Å; Y445-K448 HydrophobicContact CD1-CD 4.1Å; Y445-K448 WeakPolarHBondContact O-CB 3.32Å; Y445-K448 PolarHBondContact O-N 3.35Å
446	A	94.4	Very high	85.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-38.3	175.8	0	0	0	0	0	111.7	V428 S431 M432 A442 F443 K448 A449 Y450 L475	V428-A446 HydrophobicContact CG2-CB 4.49Å; S431-A446 PolarHBondContact OG-N 3.49Å; M432-A446 HydrophobicContact CE-CB 4.04Å; A442-A446 VanDerWaalsContact O-CB 3.31Å; A442-A446 WeakPolarHBondContact O-CB 3.33Å; A442-A446 PolarHBondContact O-N 3.19Å; F443-A446 PolarHBondContact O-N 3.28Å; A446-K448 VanDerWaalsContact C-N 3.29Å; A446-K448 PolarHBondContact O-N 3.24Å; A446-A449 VanDerWaalsContact O-CB 3.31Å; A446-A449 WeakPolarHBondContact O-CB 3.47Å; A446-A449 PolarHBondContact O-N 3.48Å; A446-Y450 WeakPolarHBondContact O-CD2 3.48Å; A446-L475 HydrophobicContact CB-CD1 3.99Å; A446-L475 HydrophobicContact CB-CG 4.41Å
447	T	93.6	Very high	83.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-29.1	175.6	58.7	0	0	0	0	112.6	F443 Y444 Y445 A449 Y450 W465 I467 L475	F443-T447 WeakPolarHBondContact O-CG2 3.38Å; F443-T447 PolarHBondContact O-N 3.01Å; F443-T447 PolarHBondContact O-OG1 2.89Å; Y444-T447 PolarHBondContact O-OG1 3.27Å; Y445-T447 VanDerWaalsContact C-N 3.35Å; T447-A449 PolarHBondContact O-N 3.13Å; T447-Y450 WeakPolarHBondContact O-CB 3.33Å; T447-Y450 PolarHBondContact O-N 3.3Å; T447-W465 PolarHBondContact O-NE1 3.44Å; T447-W465 VanDerWaalsContact O-NE1 3.13Å; T447-I467 HydrophobicContact CG2-CD1 3.85Å; T447-I467 HydrophobicContact CG2-CG1 4.21Å; T447-I467 HydrophobicContact CG2-CG2 4.4Å; T447-I467 WeakPolarHBondContact O-CG2 3.49Å; T447-L475 HydrophobicContact CG2-CD1 3.87Å
448	K	92.5	Very high	82	Confident	21 Å²	21	48.7 Å²	48.7	9%	0.091	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.1	174	-76.2	-179.7	168.6	179.6	0	114.7	E371 L374 R378 Y444 Y445 A446 Y450 W465	E371-K448 IonicContact OE1-NZ 2.65Å; E371-K448 PolarHBondContact OE1-NZ 3.45Å; E371-K448 IonicContact OE2-NZ 3.98Å; L374-K448 HydrophobicContact CD1-CB 4.01Å; L374-K448 HydrophobicContact CD1-CD 4.4Å; L374-K448 HydrophobicContact CD2-CB 4.42Å; R378-K448 WeakPolarHBondContact CD-O 3.15Å; R378-K448 WeakPolarHBondContact CG-O 3.43Å; R378-K448 PolarHBondContact NH1-O 3.37Å; Y444-K448 HydrophobicContact CE1-CD 4.2Å; Y444-K448 VanDerWaalsContact CE1-CE 3.42Å; Y444-K448 VanDerWaalsContact CZ-CE 3.43Å; Y444-K448 PolarHBondContact O-N 3.49Å; Y444-K448 VanDerWaalsContact OH-CE 3.26Å; Y444-K448 WeakPolarHBondContact OH-CE 3.33Å; Y444-K448 PolarHBondContact OH-NZ 2.94Å; Y445-K448 HydrophobicContact CD1-CD 4.1Å; Y445-K448 WeakPolarHBondContact O-CB 3.32Å; Y445-K448 PolarHBondContact O-N 3.35Å; A446-K448 VanDerWaalsContact C-N 3.29Å; A446-K448 PolarHBondContact O-N 3.24Å; K448-Y450 PolarHBondContact O-N 2.89Å; K448-W465 HydrophobicContact CG-CB 4.48Å; K448-W465 HydrophobicContact CG-CD2 3.82Å; K448-W465 HydrophobicContact CG-CE3 3.94Å; K448-W465 HydrophobicContact CG-CG 4.06Å; K448-W465 HydrophobicContact CG-CZ3 4.49Å
449	A	92	Very high	80	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.7	171.4	0	0	0	0	0	112.6	L374 M427 A446 T447	L374-A449 HydrophobicContact CD2-CB 3.97Å; M427-A449 HydrophobicContact CB-CB 4.01Å; A446-A449 VanDerWaalsContact O-CB 3.31Å; A446-A449 WeakPolarHBondContact O-CB 3.47Å; A446-A449 PolarHBondContact O-N 3.48Å; T447-A449 PolarHBondContact O-N 3.13Å
450	Y	93.4	Very high	77.8	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	32%	0.318	C	S	.	.	S	Bend	trans	-108.5	163	-179.2	-61.6	-100.5	0	0	0	111.3	R378 R424 V428 A446 T447 K448 W465 I467 D471 E474 L475	R378-Y450 WeakPolarHBondContact CD-O 3.47Å; R424-Y450 VanDerWaalsContact CD-CE1 3.42Å; R424-Y450 HydrophobicContact CG-CE1 4.23Å; R424-Y450 HydrophobicContact CG-CE2 4.21Å; V428-Y450 HydrophobicContact CG2-CE2 4.2Å; A446-Y450 WeakPolarHBondContact O-CD2 3.48Å; T447-Y450 WeakPolarHBondContact O-CB 3.33Å; T447-Y450 PolarHBondContact O-N 3.3Å; K448-Y450 PolarHBondContact O-N 2.89Å; Y450-W465 WeakPolarHBondContact O-CZ2 3.35Å; Y450-W465 PolarHBondContact O-NE1 3.25Å; Y450-I467 HydrophobicContact CG-CG2 4.4Å; Y450-D471 HydrophobicContact CD1-CB 3.49Å; Y450-D471 VanDerWaalsContact CD1-CB 3.49Å; Y450-D471 HydrophobicContact CE1-CB 3.9Å; Y450-D471 HydrophobicContact CG-CB 4.16Å; Y450-E474 HydrophobicContact CE1-CB 4.49Å; Y450-E474 VanDerWaalsContact CE1-OE2 3.28Å; Y450-E474 WeakPolarHBondContact CE1-OE2 3.48Å; Y450-L475 HydrophobicContact CD2-CD1 4.27Å; Y450-L475 HydrophobicContact CE2-CB 3.89Å; Y450-L475 HydrophobicContact CE2-CD1 3.79Å; Y450-L475 HydrophobicContact CE2-CG 4.04Å; Y450-L475 VanDerWaalsContact OH-CA 3.29Å; Y450-L475 WeakPolarHBondContact OH-CA 3.43Å; Y450-L475 PolarHBondContact OH-N 3Å
451	N	89.4	Confident	75.6	Confident	92 Å²	92	60 Å²	60	49%	0.492	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-74.8	149.6	176.1	-71.3	-44.2	0	0	0	111.5
452	L	86	Confident	73.6	Confident	81 Å²	81	62 Å²	62	42%	0.424	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-67.3	136.9	177.8	-165.7	66.8	0	0	0	110.6	A454 Q456 W465	L452-A454 PolarHBondContact O-N 3.13Å; L452-Q456 VanDerWaalsContact CD1-OE1 3.3Å; L452-W465 HydrophobicContact CD1-CD2 4.21Å; L452-W465 HydrophobicContact CD1-CG 4.23Å
453	C	78.8	Confident	72.1	Confident	16 Å²	16	68.6 Å²	68.6	11%	0.108	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-64.6	122.9	177.9	-170.4	0	0	0	0	111.4	S455 Q456 E466 S509	C453-S455 PolarHBondContact O-N 3.32Å; C453-S455 PolarHBondContact SG-OG 3.11Å; C453-Q456 PolarHBondContact O-N 3.45Å; C453-Q456 VanDerWaalsContact O-N 3.14Å; C453-E466 PolarHBondContact N-O 3.11Å; C453-S509 PolarHBondContact SG-OG 3.27Å; C453-S509 VanDerWaalsContact SG-OG 3.36Å
454	A	64.3	Low	71.2	Confident	92 Å²	92	71.1 Å²	71.1	76%	0.76	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.2	-173.2	0	0	0	0	0	115.4	L452 Q456	L452-A454 PolarHBondContact O-N 3.13Å; A454-Q456 PolarHBondContact O-N 2.86Å
455	S	59	Low	70.8	Confident	41 Å²	41	70.7 Å²	70.7	29%	0.287	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.8	176.4	55	0	0	0	0	114.5	C453 T457 S509	C453-S455 PolarHBondContact O-N 3.32Å; C453-S455 PolarHBondContact SG-OG 3.11Å; S455-T457 VanDerWaalsContact C-N 3.32Å; S455-T457 PolarHBondContact O-N 3Å; S455-S509 PolarHBondContact OG-N 3.18Å; S455-S509 VanDerWaalsContact OG-N 3.11Å; S455-S509 PolarHBondContact OG-OG 3.48Å; S455-S509 VanDerWaalsContact OG-OG 3.08Å
456	Q	53.2	Low	70.7	Confident	70 Å²	70	70.7 Å²	70.7	33%	0.327	40%	0.404	S	S	.	.			trans	-84.6	65.3	172.7	-64.6	-166.7	-9.4	0	0	111.7	L452 C453 A454 V464 E466	L452-Q456 VanDerWaalsContact CD1-OE1 3.3Å; C453-Q456 PolarHBondContact O-N 3.45Å; C453-Q456 VanDerWaalsContact O-N 3.14Å; A454-Q456 PolarHBondContact O-N 2.86Å; Q456-V464 PolarHBondContact NE2-O 3.35Å; Q456-E466 VanDerWaalsContact NE2-CB 3.32Å; Q456-E466 VanDerWaalsContact NE2-CD 3.34Å; Q456-E466 PolarHBondContact NE2-OE2 2.8Å
457	T	46.7	Very low	70.5	Confident	117 Å²	117	70.7 Å²	70.7	72%	0.718	40%	0.404	S	S	*	.			trans	-101.4	2.3	175.6	44.8	0	0	0	0	114.4	S455	S455-T457 VanDerWaalsContact C-N 3.32Å; S455-T457 PolarHBondContact O-N 3Å
458	H	46.4	Very low	70.4	Confident	179 Å²	179	72.1 Å²	72.1	83%	0.829	41%	0.414	S	S	*	.	S	Bend	trans	-100.4	122	175.8	-92.6	-90.3	0	0	0	113.2	N460	H458-N460 PolarHBondContact O-N 2.67Å
459	V	48.7	Very low	70.4	Confident	136 Å²	136	75.2 Å²	75.2	82%	0.824	43%	0.425	S	S	*	.	S	Bend	trans	-63	90	178.4	-177.6	0	0	0	0	110.8
460	N	43.3	Very low	70.4	Confident	153 Å²	153	79.2 Å²	79.2	82%	0.818	45%	0.453	S	S	*	.	S	Bend	trans	-179.7	141.2	144.9	-102.1	-34.1	0	0	0	110.1	H458	H458-N460 PolarHBondContact O-N 2.67Å
461	V	42.9	Very low	70.4	Confident	107 Å²	107	81 Å²	81	65%	0.648	46%	0.463	S	S	*	.			trans	80.8	70.1	-173.5	-161.9	0	0	0	0	113.4	K463 V464	V461-K463 HydrophobicContact CG1-CB 3.86Å; V461-K463 PolarHBondContact O-N 3.49Å; V461-V464 HydrophobicContact CG1-CG2 4.39Å
462	A	49.3	Very low	70.6	Confident	115 Å²	115	76.7 Å²	76.7	95%	0.95	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	22.9	164.6	0	0	0	0	0	114.6
463	K	60.3	Low	71	Confident	139 Å²	139	74.1 Å²	74.1	60%	0.604	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-24.9	-168.9	-69.7	-167.5	172.9	-165.9	0	115.3	V461	V461-K463 HydrophobicContact CG1-CB 3.86Å; V461-K463 PolarHBondContact O-N 3.49Å
464	V	75.2	Confident	71.7	Confident	53 Å²	53	75.8 Å²	75.8	32%	0.321	44%	0.436	S	S	.	.			trans	-117.9	113	-168	-171.2	0	0	0	0	112.2	Q456 V461 E466	Q456-V464 PolarHBondContact NE2-O 3.35Å; V461-V464 HydrophobicContact CG1-CG2 4.39Å; V464-E466 HydrophobicContact CG1-CG 4.27Å
465	W	85.4	Confident	73.1	Confident	58 Å²	58	71.4 Å²	71.4	22%	0.22	40%	0.4	C	S	.	.			trans	-80	116.7	176.7	-163.6	-75.3	0	0	0	110.4	R378 Y444 T447 K448 Y450 L452	R378-W465 VanDerWaalsContact CD-CZ2 3.48Å; Y444-W465 HydrophobicContact CE2-CB 4.36Å; T447-W465 PolarHBondContact O-NE1 3.44Å; T447-W465 VanDerWaalsContact O-NE1 3.13Å; K448-W465 HydrophobicContact CG-CB 4.48Å; K448-W465 HydrophobicContact CG-CD2 3.82Å; K448-W465 HydrophobicContact CG-CE3 3.94Å; K448-W465 HydrophobicContact CG-CG 4.06Å; K448-W465 HydrophobicContact CG-CZ3 4.49Å; Y450-W465 WeakPolarHBondContact O-CZ2 3.35Å; Y450-W465 PolarHBondContact O-NE1 3.25Å; L452-W465 HydrophobicContact CD1-CD2 4.21Å; L452-W465 HydrophobicContact CD1-CG 4.23Å
466	E	89.3	Confident	74.8	Confident	14 Å²	14	69.5 Å²	69.5	7%	0.065	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.6	179.8	-58.7	-177.4	137	0	0	112.5	C453 Q456 V464 K499 S508 I511	C453-E466 PolarHBondContact N-O 3.11Å; Q456-E466 VanDerWaalsContact NE2-CB 3.32Å; Q456-E466 VanDerWaalsContact NE2-CD 3.34Å; Q456-E466 PolarHBondContact NE2-OE2 2.8Å; V464-E466 HydrophobicContact CG1-CG 4.27Å; E466-K499 IonicContact OE1-NZ 2.73Å; E466-K499 PolarHBondContact OE1-NZ 3.4Å; E466-K499 IonicContact OE2-NZ 3.57Å; E466-S508 PolarHBondContact OE1-OG 3.4Å; E466-S508 VanDerWaalsContact OE2-CB 3.23Å; E466-S508 WeakPolarHBondContact OE2-CB 3.38Å; E466-S508 PolarHBondContact OE2-OG 3.01Å; E466-I511 VanDerWaalsContact CA-O 3.29Å; E466-I511 WeakPolarHBondContact CA-O 3.48Å
467	I	91.4	Very high	76.7	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	160.3	-177.7	61	171	0	0	0	110.8	T447 Y450 D471 A472 L475 G510 I511	T447-I467 HydrophobicContact CG2-CD1 3.85Å; T447-I467 HydrophobicContact CG2-CG1 4.21Å; T447-I467 HydrophobicContact CG2-CG2 4.4Å; T447-I467 WeakPolarHBondContact O-CG2 3.49Å; Y450-I467 HydrophobicContact CG-CG2 4.4Å; I467-D471 HydrophobicContact CB-CB 4.08Å; I467-D471 HydrophobicContact CD1-CB 4.2Å; I467-D471 HydrophobicContact CG1-CB 4.48Å; I467-A472 HydrophobicContact CD1-CB 3.81Å; I467-A472 HydrophobicContact CG1-CB 4.11Å; I467-L475 HydrophobicContact CD1-CD1 4.01Å; I467-G510 CarbonylContact O-C 3.49Å; I467-G510 WeakPolarHBondContact O-CA 3.3Å; I467-I511 HydrophobicContact CG1-CG2 4.11Å; I467-I511 PolarHBondContact N-O 3.11Å; I467-I511 PolarHBondContact O-N 3.4Å
468	S	91.9	Very high	78.9	Confident	29 Å²	29	65.2 Å²	65.2	20%	0.203	36%	0.364	C	S	.	.			trans	-66.3	162.1	177.6	76	0	0	0	0	111.6	S470 D471 A472	S468-S470 VanDerWaalsContact C-N 3.27Å; S468-S470 PolarHBondContact O-N 2.96Å; S468-S470 PolarHBondContact OG-OG 3.17Å; S468-D471 WeakPolarHBondContact CB-OD2 3.13Å; S468-D471 PolarHBondContact O-N 3.28Å; S468-D471 WeakPolarHBondContact OG-CB 3.46Å; S468-D471 PolarHBondContact OG-N 3.07Å; S468-D471 PolarHBondContact OG-OD2 3.44Å; S468-A472 WeakPolarHBondContact O-CB 3.48Å; S468-A472 PolarHBondContact O-N 3.04Å
469	R	91.5	Very high	81.1	Confident	87 Å²	87	56.7 Å²	56.7	33%	0.328	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-35.7	177.4	-172.5	168.7	173.8	120.2	1.3	113	A473 L492 D493 Y496	R469-A473 PolarHBondContact O-N 3.08Å; R469-A473 VanDerWaalsContact O-N 3.13Å; R469-L492 HydrophobicContact CG-CD1 4.21Å; R469-D493 IonicContact CZ-OD1 2.87Å; R469-D493 VanDerWaalsContact CZ-OD1 3.24Å; R469-D493 IonicContact NH1-OD1 2.73Å; R469-D493 PolarHBondContact NH1-OD1 3.46Å; R469-D493 IonicContact NH2-OD1 3.57Å; R469-D493 PolarHBondContact NH2-OD1 3.32Å; R469-D493 IonicContact NH2-OD2 3.72Å; R469-Y496 HydrophobicContact CB-CE2 4.25Å; R469-Y496 WeakPolarHBondContact CB-OH 3.48Å; R469-Y496 HydrophobicContact CG-CE2 3.96Å
470	S	91.8	Very high	83.2	Confident	84 Å²	84	50.4 Å²	50.4	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-69.9	-42.7	177	47.3	0	0	0	0	111.8	S468 A472 A473 E474	S468-S470 VanDerWaalsContact C-N 3.27Å; S468-S470 PolarHBondContact O-N 2.96Å; S468-S470 PolarHBondContact OG-OG 3.17Å; S470-A472 VanDerWaalsContact C-N 3.29Å; S470-A472 PolarHBondContact O-N 3.37Å; S470-A473 WeakPolarHBondContact O-CB 3.41Å; S470-A473 PolarHBondContact O-N 3.44Å; S470-E474 PolarHBondContact O-N 2.91Å
471	D	93.5	Very high	85.4	Confident	39 Å²	39	47 Å²	47	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-37.4	176.6	-65.1	-34.6	0	0	0	111.2	Y450 I467 S468 E474 L475	Y450-D471 HydrophobicContact CD1-CB 3.49Å; Y450-D471 VanDerWaalsContact CD1-CB 3.49Å; Y450-D471 HydrophobicContact CE1-CB 3.9Å; Y450-D471 HydrophobicContact CG-CB 4.16Å; I467-D471 HydrophobicContact CB-CB 4.08Å; I467-D471 HydrophobicContact CD1-CB 4.2Å; I467-D471 HydrophobicContact CG1-CB 4.48Å; S468-D471 WeakPolarHBondContact CB-OD2 3.13Å; S468-D471 PolarHBondContact O-N 3.28Å; S468-D471 WeakPolarHBondContact OG-CB 3.46Å; S468-D471 PolarHBondContact OG-N 3.07Å; S468-D471 PolarHBondContact OG-OD2 3.44Å; D471-E474 PolarHBondContact O-N 2.64Å; D471-L475 WeakPolarHBondContact O-CB 3.42Å; D471-L475 PolarHBondContact O-N 3.34Å
472	A	93.8	Very high	87.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-37.8	176.2	0	0	0	0	0	112.5	I467 S468 S470 L476 L492 I511 L516	I467-A472 HydrophobicContact CD1-CB 3.81Å; I467-A472 HydrophobicContact CG1-CB 4.11Å; S468-A472 WeakPolarHBondContact O-CB 3.48Å; S468-A472 PolarHBondContact O-N 3.04Å; S470-A472 VanDerWaalsContact C-N 3.29Å; S470-A472 PolarHBondContact O-N 3.37Å; A472-L476 WeakPolarHBondContact O-CG 3.47Å; A472-L476 PolarHBondContact O-N 3.3Å; A472-L476 VanDerWaalsContact O-N 3.11Å; A472-L492 HydrophobicContact CB-CD2 3.59Å; A472-I511 HydrophobicContact CB-CG2 3.58Å; A472-L516 HydrophobicContact CB-CD1 4.31Å; A472-L516 HydrophobicContact CB-CD2 4.32Å
473	A	93.9	Very high	89	Confident	27 Å²	27	46 Å²	46	22%	0.223	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-46.6	173	0	0	0	0	0	111.1	R469 S470 L475 L476 S477 V488 L492	R469-A473 PolarHBondContact O-N 3.08Å; R469-A473 VanDerWaalsContact O-N 3.13Å; S470-A473 WeakPolarHBondContact O-CB 3.41Å; S470-A473 PolarHBondContact O-N 3.44Å; A473-L475 PolarHBondContact O-N 3.29Å; A473-L476 PolarHBondContact O-N 2.98Å; A473-S477 PolarHBondContact O-N 3.05Å; A473-S477 VanDerWaalsContact O-N 3.08Å; A473-S477 PolarHBondContact O-OG 3.06Å; A473-V488 HydrophobicContact CB-CG1 3.88Å; A473-L492 HydrophobicContact CB-CD1 3.86Å
474	E	93.4	Very high	90.3	Very high	52 Å²	52	44 Å²	44	24%	0.243	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-45.9	177.1	-175.5	-179.7	-128	0	0	111.5	R424 Y450 S470 D471 L476 S477 F478	R424-E474 WeakPolarHBondContact CD-OE2 3.44Å; R424-E474 IonicContact CZ-OE2 2.67Å; R424-E474 IonicContact NE-OE2 2.9Å; R424-E474 IonicContact NH1-OE1 3.95Å; R424-E474 IonicContact NH1-OE2 3.89Å; R424-E474 PolarHBondContact NH1-OE2 2.89Å; Y450-E474 HydrophobicContact CE1-CB 4.49Å; Y450-E474 VanDerWaalsContact CE1-OE2 3.28Å; Y450-E474 WeakPolarHBondContact CE1-OE2 3.48Å; S470-E474 PolarHBondContact O-N 2.91Å; D471-E474 PolarHBondContact O-N 2.64Å; E474-L476 PolarHBondContact O-N 3.03Å; E474-S477 PolarHBondContact O-N 3.19Å; E474-F478 VanDerWaalsContact CD-CE2 3.46Å; E474-F478 HydrophobicContact CG-CD2 3.86Å; E474-F478 HydrophobicContact CG-CE1 4.01Å; E474-F478 HydrophobicContact CG-CE2 3.28Å; E474-F478 HydrophobicContact CG-CG 4.45Å; E474-F478 HydrophobicContact CG-CZ 3.35Å; E474-F478 WeakPolarHBondContact O-CG 3.5Å; E474-F478 PolarHBondContact O-N 3.49Å; E474-F478 WeakPolarHBondContact OE1-CZ 3.31Å
475	L	95	Very high	90.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-47.9	176.7	-173	163.4	0	0	0	111.7	V428 F443 A446 T447 Y450 I467 D471 A473 S477 F478 A479 L516	V428-L475 HydrophobicContact CG2-CG 4.41Å; F443-L475 HydrophobicContact CD1-CD2 4.35Å; F443-L475 HydrophobicContact CE1-CD2 4.21Å; A446-L475 HydrophobicContact CB-CD1 3.99Å; A446-L475 HydrophobicContact CB-CG 4.41Å; T447-L475 HydrophobicContact CG2-CD1 3.87Å; Y450-L475 HydrophobicContact CD2-CD1 4.27Å; Y450-L475 HydrophobicContact CE2-CB 3.89Å; Y450-L475 HydrophobicContact CE2-CD1 3.79Å; Y450-L475 HydrophobicContact CE2-CG 4.04Å; Y450-L475 VanDerWaalsContact OH-CA 3.29Å; Y450-L475 WeakPolarHBondContact OH-CA 3.43Å; Y450-L475 PolarHBondContact OH-N 3Å; I467-L475 HydrophobicContact CD1-CD1 4.01Å; D471-L475 WeakPolarHBondContact O-CB 3.42Å; D471-L475 PolarHBondContact O-N 3.34Å; A473-L475 PolarHBondContact O-N 3.29Å; L475-S477 VanDerWaalsContact C-N 3.34Å; L475-S477 PolarHBondContact O-N 2.64Å; L475-F478 PolarHBondContact O-N 2.66Å; L475-A479 HydrophobicContact CD2-CB 4.41Å; L475-A479 VanDerWaalsContact O-CB 3.29Å; L475-A479 WeakPolarHBondContact O-CB 3.45Å; L475-A479 PolarHBondContact O-N 3.44Å; L475-L516 HydrophobicContact CD1-CD2 4.45Å; L475-L516 HydrophobicContact CD2-CD2 4.04Å
476	L	94.4	Very high	91.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-44.7	178.6	-76	175.5	0	0	0	111.7	F443 A472 A473 E474 F478 A479 F480 L482 V488 I491 L492 L516 L520	F443-L476 HydrophobicContact CE1-CD2 4.27Å; A472-L476 WeakPolarHBondContact O-CG 3.47Å; A472-L476 PolarHBondContact O-N 3.3Å; A472-L476 VanDerWaalsContact O-N 3.11Å; A473-L476 PolarHBondContact O-N 2.98Å; E474-L476 PolarHBondContact O-N 3.03Å; L476-F478 VanDerWaalsContact C-N 3.33Å; L476-F478 PolarHBondContact O-N 3.41Å; L476-A479 PolarHBondContact O-N 3.29Å; L476-F480 HydrophobicContact CD2-CD2 4.44Å; L476-F480 PolarHBondContact O-N 2.93Å; L476-L482 HydrophobicContact CB-CD1 3.96Å; L476-V488 HydrophobicContact CB-CG1 4.45Å; L476-V488 HydrophobicContact CD1-CG1 4.06Å; L476-I491 HydrophobicContact CD1-CB 4.24Å; L476-I491 HydrophobicContact CD1-CG2 3.7Å; L476-I491 HydrophobicContact CD2-CG2 4.4Å; L476-L492 HydrophobicContact CD1-CD2 4.19Å; L476-L492 HydrophobicContact CD1-CG 4.24Å; L476-L516 HydrophobicContact CD1-CD1 3.83Å; L476-L516 HydrophobicContact CD2-CD1 4.22Å; L476-L516 HydrophobicContact CD2-CD2 4.38Å; L476-L516 HydrophobicContact CD2-CG 4.17Å; L476-L516 HydrophobicContact CG-CD1 4.05Å; L476-L516 HydrophobicContact CG-CD2 4.33Å; L476-L516 HydrophobicContact CG-CG 4.37Å; L476-L520 HydrophobicContact CD2-CD2 4.46Å
477	S	92.4	Very high	91.4	Very high	57 Å²	57	53.8 Å²	53.8	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-67.3	-30.9	179.3	-60	0	0	0	0	113.2	A473 E474 L475	A473-S477 PolarHBondContact O-N 3.05Å; A473-S477 VanDerWaalsContact O-N 3.08Å; A473-S477 PolarHBondContact O-OG 3.06Å; E474-S477 PolarHBondContact O-N 3.19Å; L475-S477 VanDerWaalsContact C-N 3.34Å; L475-S477 PolarHBondContact O-N 2.64Å
478	F	93	Very high	91.5	Very high	41 Å²	41	54.1 Å²	54.1	18%	0.18	29%	0.29	C	S	.	.	H	α-helix	trans	-76.4	-42.7	173.6	-66.6	-17.4	0	0	0	112.2	P331 R424 I425 V428 H429 E474 L475 L476	P331-F478 WeakPolarHBondContact CG-O 3.32Å; R424-F478 HydrophobicContact CG-CE2 4.4Å; I425-F478 HydrophobicContact CB-CD2 4.45Å; I425-F478 HydrophobicContact CD1-CD1 3.99Å; I425-F478 HydrophobicContact CD1-CE1 3.73Å; I425-F478 HydrophobicContact CD1-CE2 4.28Å; I425-F478 HydrophobicContact CD1-CG 4.39Å; I425-F478 HydrophobicContact CD1-CZ 3.89Å; I425-F478 HydrophobicContact CG1-CB 4.41Å; I425-F478 HydrophobicContact CG1-CD1 3.76Å; I425-F478 HydrophobicContact CG1-CD2 3.52Å; I425-F478 HydrophobicContact CG1-CE1 3.76Å; I425-F478 HydrophobicContact CG1-CE2 3.49Å; I425-F478 VanDerWaalsContact CG1-CE2 3.49Å; I425-F478 HydrophobicContact CG1-CG 3.65Å; I425-F478 HydrophobicContact CG1-CZ 3.64Å; V428-F478 HydrophobicContact CG1-CB 4.42Å; H429-F478 PolarHBondContact CE1-O 3.07Å; E474-F478 VanDerWaalsContact CD-CE2 3.46Å; E474-F478 HydrophobicContact CG-CD2 3.86Å; E474-F478 HydrophobicContact CG-CE1 4.01Å; E474-F478 HydrophobicContact CG-CE2 3.28Å; E474-F478 HydrophobicContact CG-CG 4.45Å; E474-F478 HydrophobicContact CG-CZ 3.35Å; E474-F478 WeakPolarHBondContact O-CG 3.5Å; E474-F478 PolarHBondContact O-N 3.49Å; E474-F478 WeakPolarHBondContact OE1-CZ 3.31Å; L475-F478 PolarHBondContact O-N 2.66Å; L476-F478 VanDerWaalsContact C-N 3.33Å; L476-F478 PolarHBondContact O-N 3.41Å
479	A	92.4	Very high	91.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-74.8	-32.4	-173.7	0	0	0	0	0	113.3	P331 V428 M432 L475 L476 Y531	P331-A479 WeakPolarHBondContact CD-O 3.41Å; P331-A479 VanDerWaalsContact CG-C 3.49Å; P331-A479 WeakPolarHBondContact CG-O 3.3Å; V428-A479 HydrophobicContact CG1-CB 3.72Å; M432-A479 HydrophobicContact CE-CB 4.06Å; L475-A479 HydrophobicContact CD2-CB 4.41Å; L475-A479 VanDerWaalsContact O-CB 3.29Å; L475-A479 WeakPolarHBondContact O-CB 3.45Å; L475-A479 PolarHBondContact O-N 3.44Å; L476-A479 PolarHBondContact O-N 3.29Å; A479-Y531 WeakPolarHBondContact O-CE2 3.47Å; A479-Y531 PolarHBondContact O-OH 2.97Å
480	F	93.7	Very high	91.6	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	31%	0.314	C	S	.	.	S	Bend	trans	-135	148.9	-171.7	-55.6	-77.4	0	0	0	113.8	M432 F443 L476 L482 L520 V527 Y531	M432-F480 HydrophobicContact CE-CZ 4.48Å; M432-F480 HydrophobicContact SD-CZ 4.45Å; F443-F480 HydrophobicContact CE1-CE2 4.31Å; F443-F480 AromaticContact CE2-CE2 3.9Å; F443-F480 HydrophobicContact CE2-CE2 3.9Å; F443-F480 AromaticContact CE2-CZ 3.76Å; F443-F480 HydrophobicContact CE2-CZ 3.76Å; F443-F480 AromaticContact CZ-CE2 3.39Å; F443-F480 HydrophobicContact CZ-CE2 3.39Å; F443-F480 AromaticContact CZ-CZ 3.73Å; F443-F480 HydrophobicContact CZ-CZ 3.73Å; L476-F480 HydrophobicContact CD2-CD2 4.44Å; L476-F480 PolarHBondContact O-N 2.93Å; F480-L482 HydrophobicContact CB-CD2 4.17Å; F480-L482 HydrophobicContact CB-CG 4.16Å; F480-L482 PolarHBondContact O-N 2.92Å; F480-L482 VanDerWaalsContact O-N 3.16Å; F480-L520 HydrophobicContact CD1-CD2 4.46Å; F480-L520 HydrophobicContact CD2-CD2 3.76Å; F480-L520 HydrophobicContact CE1-CD2 4.2Å; F480-L520 HydrophobicContact CE2-CD2 3.5Å; F480-L520 HydrophobicContact CG-CD2 4.25Å; F480-L520 HydrophobicContact CZ-CD2 3.73Å; F480-V527 HydrophobicContact CB-CG1 3.66Å; F480-V527 HydrophobicContact CD1-CG1 3.55Å; F480-V527 WeakPolarHBondContact CD1-O 3.43Å; F480-V527 HydrophobicContact CE1-CG1 4.49Å; F480-V527 WeakPolarHBondContact CE1-O 3.45Å; F480-V527 HydrophobicContact CG-CG1 3.78Å; F480-Y531 HydrophobicContact CE1-CD2 4.18Å; F480-Y531 HydrophobicContact CE1-CE2 4.14Å
481	T	88.1	Confident	91.8	Very high	82 Å²	82	55.1 Å²	55.1	50%	0.503	29%	0.286	S	S	.	.			trans	-78.5	96.7	169.9	-49.2	0	0	0	0	109.1	K329	K329-T481 PolarHBondContact O-OG1 3.48Å
482	L	88.4	Confident	91.8	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.157	28%	0.278	C	S	.	.			trans	-101.8	137.2	178	-59.1	175.9	0	0	0	109.9	L476 F480 V488 I491 L520 L524 V527	L476-L482 HydrophobicContact CB-CD1 3.96Å; F480-L482 HydrophobicContact CB-CD2 4.17Å; F480-L482 HydrophobicContact CB-CG 4.16Å; F480-L482 PolarHBondContact O-N 2.92Å; F480-L482 VanDerWaalsContact O-N 3.16Å; L482-V488 HydrophobicContact CB-CG2 4.37Å; L482-V488 HydrophobicContact CD1-CG2 3.68Å; L482-I491 HydrophobicContact CD1-CD1 4.3Å; L482-I491 HydrophobicContact CD2-CD1 4.27Å; L482-L520 HydrophobicContact CD2-CD1 4.5Å; L482-L524 HydrophobicContact CD2-CD1 3.78Å; L482-V527 HydrophobicContact CD2-CG1 4.32Å
483	E	81.2	Confident	91.8	Very high	170 Å²	170	56.4 Å²	56.4	79%	0.794	29%	0.294	S	S	*	.	S	Bend	trans	-69.1	-42.1	-170.8	-64.7	-179.3	172.7	0	0	112.7
484	N	87.2	Confident	91.8	Very high	96 Å²	96	58.9 Å²	58.9	51%	0.513	30%	0.297	S	S	.	.			trans	-143.3	153.4	-173.2	-63.8	-36.3	0	0	0	112.1	E486 T487 V488	N484-E486 PolarHBondContact O-N 3.21Å; N484-T487 VanDerWaalsContact O-CB 3.3Å; N484-T487 WeakPolarHBondContact O-CB 3.43Å; N484-T487 PolarHBondContact O-N 3.05Å; N484-V488 PolarHBondContact O-N 3.35Å
485	D	88.4	Confident	91.8	Very high	139 Å²	139	56.4 Å²	56.4	74%	0.743	29%	0.286	S	S	*	.	H	α-helix	trans	-59.3	-28.4	172.3	-70.4	-22.4	0	0	0	112.8	T487 V488 K489	D485-T487 VanDerWaalsContact C-N 3.31Å; D485-T487 PolarHBondContact O-N 3.46Å; D485-V488 WeakPolarHBondContact O-CB 3.47Å; D485-V488 PolarHBondContact O-N 3.4Å; D485-K489 PolarHBondContact O-N 3.14Å
486	E	91.7	Very high	91.6	Very high	158 Å²	158	58.9 Å²	58.9	74%	0.738	30%	0.295	S	S	*	.	H	α-helix	trans	-63	-37.8	174.5	-64.1	-173.6	170.6	0	0	112.2	N484 K489 L490	N484-E486 PolarHBondContact O-N 3.21Å; E486-K489 PolarHBondContact O-N 3.27Å; E486-L490 WeakPolarHBondContact O-CB 3.41Å; E486-L490 PolarHBondContact O-N 2.93Å
487	T	92.2	Very high	91.5	Very high	34 Å²	34	63.9 Å²	63.9	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-43	176.6	-51.7	0	0	0	0	110.5	N484 D485 K489 L490 I491 L524	N484-T487 VanDerWaalsContact O-CB 3.3Å; N484-T487 WeakPolarHBondContact O-CB 3.43Å; N484-T487 PolarHBondContact O-N 3.05Å; D485-T487 VanDerWaalsContact C-N 3.31Å; D485-T487 PolarHBondContact O-N 3.46Å; T487-K489 VanDerWaalsContact C-N 3.32Å; T487-K489 PolarHBondContact O-N 2.61Å; T487-L490 PolarHBondContact O-N 3.46Å; T487-I491 HydrophobicContact CG2-CD1 4.07Å; T487-I491 WeakPolarHBondContact O-CD1 3.48Å; T487-I491 VanDerWaalsContact O-CG1 3.28Å; T487-I491 WeakPolarHBondContact O-CG1 3.31Å; T487-I491 PolarHBondContact O-N 3.44Å; T487-L524 HydrophobicContact CG2-CD1 3.84Å
488	V	93.2	Very high	91.3	Very high	8 Å²	8	62.3 Å²	62.3	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-46.6	174.4	-176	0	0	0	0	110.2	A473 L476 L482 N484 D485 L490 I491 L492	A473-V488 HydrophobicContact CB-CG1 3.88Å; L476-V488 HydrophobicContact CB-CG1 4.45Å; L476-V488 HydrophobicContact CD1-CG1 4.06Å; L482-V488 HydrophobicContact CB-CG2 4.37Å; L482-V488 HydrophobicContact CD1-CG2 3.68Å; N484-V488 PolarHBondContact O-N 3.35Å; D485-V488 WeakPolarHBondContact O-CB 3.47Å; D485-V488 PolarHBondContact O-N 3.4Å; V488-L490 PolarHBondContact O-N 3.03Å; V488-I491 PolarHBondContact O-N 3.19Å; V488-L492 HydrophobicContact CG1-CD1 4.07Å; V488-L492 WeakPolarHBondContact O-CG 3.38Å; V488-L492 PolarHBondContact O-N 3.22Å
489	K	93.5	Very high	91.1	Very high	129 Å²	129	61.1 Å²	61.1	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-61.5	-42.9	179.2	-172.5	-179	177.4	-176.4	0	112.1	D485 E486 T487 L492 D493	D485-K489 PolarHBondContact O-N 3.14Å; E486-K489 PolarHBondContact O-N 3.27Å; T487-K489 VanDerWaalsContact C-N 3.32Å; T487-K489 PolarHBondContact O-N 2.61Å; K489-L492 PolarHBondContact O-N 3Å; K489-D493 WeakPolarHBondContact O-CB 3.47Å; K489-D493 VanDerWaalsContact O-CG 3.27Å; K489-D493 PolarHBondContact O-N 3.13Å
490	L	93.8	Very high	90.8	Very high	91 Å²	91	67.7 Å²	67.7	48%	0.476	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-43.9	178.6	-175.2	65.9	0	0	0	111.8	E486 T487 V488 L492 D493 R494 H523	E486-L490 WeakPolarHBondContact O-CB 3.41Å; E486-L490 PolarHBondContact O-N 2.93Å; T487-L490 PolarHBondContact O-N 3.46Å; V488-L490 PolarHBondContact O-N 3.03Å; L490-L492 VanDerWaalsContact C-N 3.35Å; L490-L492 PolarHBondContact O-N 2.88Å; L490-D493 PolarHBondContact O-N 3.39Å; L490-R494 WeakPolarHBondContact O-CB 3.47Å; L490-R494 PolarHBondContact O-N 3.44Å; L490-H523 VanDerWaalsContact CD2-CE1 3.49Å; L490-H523 WeakPolarHBondContact CD2-CE1 3.41Å; L490-H523 VanDerWaalsContact CG-CE1 3.47Å; L490-H523 WeakPolarHBondContact CG-CE1 3.31Å
491	I	94	Very high	90.3	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-46.9	175.1	-68.6	159.6	0	0	0	110.6	L476 L482 T487 V488 R494 A495 L520 H523 L524	L476-I491 HydrophobicContact CD1-CB 4.24Å; L476-I491 HydrophobicContact CD1-CG2 3.7Å; L476-I491 HydrophobicContact CD2-CG2 4.4Å; L482-I491 HydrophobicContact CD1-CD1 4.3Å; L482-I491 HydrophobicContact CD2-CD1 4.27Å; T487-I491 HydrophobicContact CG2-CD1 4.07Å; T487-I491 WeakPolarHBondContact O-CD1 3.48Å; T487-I491 VanDerWaalsContact O-CG1 3.28Å; T487-I491 WeakPolarHBondContact O-CG1 3.31Å; T487-I491 PolarHBondContact O-N 3.44Å; V488-I491 PolarHBondContact O-N 3.19Å; I491-R494 PolarHBondContact O-N 3.14Å; I491-A495 WeakPolarHBondContact O-CB 3.49Å; I491-A495 PolarHBondContact O-N 3.41Å; I491-L520 HydrophobicContact CD1-CD1 3.61Å; I491-L520 HydrophobicContact CG1-CD1 4.32Å; I491-L520 HydrophobicContact CG2-CB 4.11Å; I491-H523 HydrophobicContact CG1-CB 4.28Å; I491-L524 HydrophobicContact CD1-CD1 4.35Å
492	L	94.2	Very high	89.9	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-47.5	178	-70.2	170.3	0	0	0	111.4	R469 A472 A473 L476 V488 K489 L490 R494 A495 Y496 L516	R469-L492 HydrophobicContact CG-CD1 4.21Å; A472-L492 HydrophobicContact CB-CD2 3.59Å; A473-L492 HydrophobicContact CB-CD1 3.86Å; L476-L492 HydrophobicContact CD1-CD2 4.19Å; L476-L492 HydrophobicContact CD1-CG 4.24Å; V488-L492 HydrophobicContact CG1-CD1 4.07Å; V488-L492 WeakPolarHBondContact O-CG 3.38Å; V488-L492 PolarHBondContact O-N 3.22Å; K489-L492 PolarHBondContact O-N 3Å; L490-L492 VanDerWaalsContact C-N 3.35Å; L490-L492 PolarHBondContact O-N 2.88Å; L492-R494 PolarHBondContact O-N 3.34Å; L492-A495 WeakPolarHBondContact O-CB 3.45Å; L492-A495 PolarHBondContact O-N 3.22Å; L492-A495 VanDerWaalsContact O-N 3.1Å; L492-Y496 VanDerWaalsContact O-CD2 3.25Å; L492-Y496 WeakPolarHBondContact O-CD2 3.25Å; L492-Y496 PolarHBondContact O-N 3.27Å; L492-L516 HydrophobicContact CD2-CD1 3.7Å
493	D	94.2	Very high	88.9	Confident	62 Å²	62	75.2 Å²	75.2	33%	0.332	38%	0.376	S	S	.	.	H	α-helix	trans	-57.7	-40.4	177.9	-72.4	-20.8	0	0	0	111.2	R469 K489 L490 Y496 L497	R469-D493 IonicContact CZ-OD1 2.87Å; R469-D493 VanDerWaalsContact CZ-OD1 3.24Å; R469-D493 IonicContact NH1-OD1 2.73Å; R469-D493 PolarHBondContact NH1-OD1 3.46Å; R469-D493 IonicContact NH2-OD1 3.57Å; R469-D493 PolarHBondContact NH2-OD1 3.32Å; R469-D493 IonicContact NH2-OD2 3.72Å; K489-D493 WeakPolarHBondContact O-CB 3.47Å; K489-D493 VanDerWaalsContact O-CG 3.27Å; K489-D493 PolarHBondContact O-N 3.13Å; L490-D493 PolarHBondContact O-N 3.39Å; D493-Y496 PolarHBondContact O-N 2.97Å; D493-L497 VanDerWaalsContact O-CG 3.24Å; D493-L497 WeakPolarHBondContact O-CG 3.5Å; D493-L497 PolarHBondContact O-N 3.41Å
494	R	93.9	Very high	87.9	Confident	79 Å²	79	72.3 Å²	72.3	30%	0.298	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-45.7	174	-171.6	63.3	178.9	174.5	3.8	112.5	L490 I491 L492 Y496 L497 I498 Y522 H523	L490-R494 WeakPolarHBondContact O-CB 3.47Å; L490-R494 PolarHBondContact O-N 3.44Å; I491-R494 PolarHBondContact O-N 3.14Å; L492-R494 PolarHBondContact O-N 3.34Å; R494-Y496 VanDerWaalsContact C-N 3.32Å; R494-Y496 PolarHBondContact O-N 3.2Å; R494-L497 WeakPolarHBondContact O-CB 3.35Å; R494-L497 PolarHBondContact O-N 2.89Å; R494-I498 HydrophobicContact CG-CD1 4.1Å; R494-I498 VanDerWaalsContact O-CG1 3.3Å; R494-I498 WeakPolarHBondContact O-CG1 3.47Å; R494-I498 PolarHBondContact O-N 3.14Å; R494-Y522 HydrophobicContact CG-CD1 3.87Å; R494-Y522 HydrophobicContact CG-CG 4.16Å; R494-Y522 VanDerWaalsContact NH2-CE2 3.3Å; R494-H523 WeakPolarHBondContact CB-NE2 3.29Å
495	A	92.8	Very high	86.4	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-59.1	-42.4	177.5	0	0	0	0	0	112	I491 L492 I498 K499 I511 H515	I491-A495 WeakPolarHBondContact O-CB 3.49Å; I491-A495 PolarHBondContact O-N 3.41Å; L492-A495 WeakPolarHBondContact O-CB 3.45Å; L492-A495 PolarHBondContact O-N 3.22Å; L492-A495 VanDerWaalsContact O-N 3.1Å; A495-I498 PolarHBondContact O-N 2.77Å; A495-K499 WeakPolarHBondContact O-CB 3.43Å; A495-K499 PolarHBondContact O-N 3.34Å; A495-I511 HydrophobicContact CB-CD1 4.04Å; A495-I511 HydrophobicContact CB-CG1 4.17Å; A495-H515 VanDerWaalsContact CB-O 3.29Å; A495-H515 WeakPolarHBondContact CB-O 3.45Å
496	Y	91.6	Very high	85	Confident	52 Å²	52	73 Å²	73	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-66.9	-37.2	175.4	-85.2	-79.7	0	0	0	112.8	R469 L492 D493 R494 K500 S509 I511	R469-Y496 HydrophobicContact CB-CE2 4.25Å; R469-Y496 WeakPolarHBondContact CB-OH 3.48Å; R469-Y496 HydrophobicContact CG-CE2 3.96Å; L492-Y496 VanDerWaalsContact O-CD2 3.25Å; L492-Y496 WeakPolarHBondContact O-CD2 3.25Å; L492-Y496 PolarHBondContact O-N 3.27Å; D493-Y496 PolarHBondContact O-N 2.97Å; R494-Y496 VanDerWaalsContact C-N 3.32Å; R494-Y496 PolarHBondContact O-N 3.2Å; Y496-K500 WeakPolarHBondContact O-CB 3.25Å; Y496-K500 PolarHBondContact O-N 3.24Å; Y496-S509 WeakPolarHBondContact CE1-O 3.24Å; Y496-S509 PolarHBondContact OH-O 2.99Å; Y496-I511 HydrophobicContact CE2-CB 4.38Å
497	L	91.1	Very high	83.5	Confident	104 Å²	104	69.9 Å²	69.9	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-42.2	173.8	-73.9	171.6	0	0	0	111.9	D493 R494 K500 S501	D493-L497 VanDerWaalsContact O-CG 3.24Å; D493-L497 WeakPolarHBondContact O-CG 3.5Å; D493-L497 PolarHBondContact O-N 3.41Å; R494-L497 WeakPolarHBondContact O-CB 3.35Å; R494-L497 PolarHBondContact O-N 2.89Å; L497-K500 PolarHBondContact O-N 2.67Å; L497-S501 PolarHBondContact O-N 2.91Å; L497-S501 VanDerWaalsContact O-N 3.13Å
498	I	89.7	Confident	82.5	Confident	24 Å²	24	69.4 Å²	69.4	12%	0.123	37%	0.372	C	S	.	.	H	α-helix	trans	-64.7	-48.1	177.2	-63.8	166.6	0	0	0	109.9	R494 A495 K500 S501 T502 E518	R494-I498 HydrophobicContact CG-CD1 4.1Å; R494-I498 VanDerWaalsContact O-CG1 3.3Å; R494-I498 WeakPolarHBondContact O-CG1 3.47Å; R494-I498 PolarHBondContact O-N 3.14Å; A495-I498 PolarHBondContact O-N 2.77Å; I498-K500 VanDerWaalsContact C-N 3.27Å; I498-K500 PolarHBondContact O-N 3.3Å; I498-S501 WeakPolarHBondContact O-CA 3.49Å; I498-S501 WeakPolarHBondContact O-CB 3.29Å; I498-S501 PolarHBondContact O-N 3.16Å; I498-S501 PolarHBondContact O-OG 3.36Å; I498-T502 HydrophobicContact CG2-CG2 4.41Å; I498-T502 PolarHBondContact O-N 3.06Å; I498-T502 PolarHBondContact O-OG1 2.99Å; I498-E518 HydrophobicContact CD1-CB 3.93Å; I498-E518 VanDerWaalsContact CG2-OE2 3.28Å; I498-E518 WeakPolarHBondContact CG2-OE2 3.27Å
499	K	87.5	Confident	81.9	Confident	16 Å²	16	72.6 Å²	72.6	7%	0.07	39%	0.394	C	S	.	.	H	α-helix	trans	-53.8	-43.4	174.8	175.1	175.2	167.2	170.1	0	112.4	E466 A495 S501 T502 H503 S508 G510 I511	E466-K499 IonicContact OE1-NZ 2.73Å; E466-K499 PolarHBondContact OE1-NZ 3.4Å; E466-K499 IonicContact OE2-NZ 3.57Å; A495-K499 WeakPolarHBondContact O-CB 3.43Å; A495-K499 PolarHBondContact O-N 3.34Å; K499-S501 PolarHBondContact O-N 3.18Å; K499-T502 WeakPolarHBondContact CA-OG1 3.3Å; K499-T502 PolarHBondContact O-N 3.1Å; K499-T502 PolarHBondContact O-OG1 2.9Å; K499-T502 VanDerWaalsContact O-OG1 3.05Å; K499-H503 PolarHBondContact O-N 3.45Å; K499-S508 PolarHBondContact NZ-O 3.39Å; K499-S508 VanDerWaalsContact NZ-O 3.11Å; K499-S508 PolarHBondContact NZ-OG 2.99Å; K499-G510 PolarHBondContact NZ-O 2.95Å; K499-I511 HydrophobicContact CB-CD1 4.09Å; K499-I511 HydrophobicContact CD-CD1 4.07Å
500	K	86	Confident	81.6	Confident	139 Å²	139	66.4 Å²	66.4	60%	0.604	37%	0.367	S	S	*	.	H	α-helix	trans	-64.8	-27.2	177.1	-173.7	177.1	179.8	-179.5	0	112.8	Y496 L497 I498	Y496-K500 WeakPolarHBondContact O-CB 3.25Å; Y496-K500 PolarHBondContact O-N 3.24Å; L497-K500 PolarHBondContact O-N 2.67Å; I498-K500 VanDerWaalsContact C-N 3.27Å; I498-K500 PolarHBondContact O-N 3.3Å
501	S	84.3	Confident	81.4	Confident	95 Å²	95	62.1 Å²	62.1	66%	0.664	35%	0.345	S	S	*	.	H	α-helix	trans	-81.7	-30.4	176.8	73.7	0	0	0	0	113.3	L497 I498 K499	L497-S501 PolarHBondContact O-N 2.91Å; L497-S501 VanDerWaalsContact O-N 3.13Å; I498-S501 WeakPolarHBondContact O-CA 3.49Å; I498-S501 WeakPolarHBondContact O-CB 3.29Å; I498-S501 PolarHBondContact O-N 3.16Å; I498-S501 PolarHBondContact O-OG 3.36Å; K499-S501 PolarHBondContact O-N 3.18Å
502	T	79.1	Confident	81.3	Confident	76 Å²	76	62.2 Å²	62.2	47%	0.466	35%	0.345	S	S	.	.	H	α-helix	trans	-87.5	-34.7	-178.6	49.4	0	0	0	0	112.8	I498 K499 H515	I498-T502 HydrophobicContact CG2-CG2 4.41Å; I498-T502 PolarHBondContact O-N 3.06Å; I498-T502 PolarHBondContact O-OG1 2.99Å; K499-T502 WeakPolarHBondContact CA-OG1 3.3Å; K499-T502 PolarHBondContact O-N 3.1Å; K499-T502 PolarHBondContact O-OG1 2.9Å; K499-T502 VanDerWaalsContact O-OG1 3.05Å; T502-H515 PolarHBondContact OG1-NE2 2.87Å
503	H	68.1	Low	81.1	Confident	102 Å²	102	62 Å²	62	47%	0.472	35%	0.345	S	S	.	.			trans	-119.7	120.9	177.8	-68.4	-72.5	0	0	0	110.9	K499 D505	K499-H503 PolarHBondContact O-N 3.45Å; H503-D505 PolarHBondContact O-N 2.99Å
504	S	59.2	Low	80.9	Confident	109 Å²	109	63.8 Å²	63.8	76%	0.762	35%	0.351	S	S	*	.			trans	-66.6	-17.2	173.5	53.4	0	0	0	0	113.5	N506	S504-N506 PolarHBondContact O-N 3.26Å
505	D	56.8	Low	80.8	Confident	115 Å²	115	60.7 Å²	60.7	62%	0.615	34%	0.34	S	S	*	.			trans	-86.6	100.7	-172.3	-67.7	-6.1	0	0	0	110.7	H503 S507	H503-D505 PolarHBondContact O-N 2.99Å; D505-S507 PolarHBondContact O-N 2.97Å
506	N	57.9	Low	80.9	Confident	134 Å²	134	60.7 Å²	60.7	72%	0.717	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	16.4	175.6	-73.3	-37.4	0	0	0	114	S504	S504-N506 PolarHBondContact O-N 3.26Å
507	S	61.1	Low	81	Confident	93 Å²	93	58.8 Å²	58.8	65%	0.65	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-30.6	-166.8	59	0	0	0	0	114.1	D505	D505-S507 PolarHBondContact O-N 2.97Å
508	S	70.1	Confident	81.1	Confident	25 Å²	25	57.3 Å²	57.3	18%	0.175	32%	0.323	C	S	.	.			trans	-103.9	125.7	-178.4	76.6	0	0	0	0	113	E466 K499 G510	E466-S508 PolarHBondContact OE1-OG 3.4Å; E466-S508 VanDerWaalsContact OE2-CB 3.23Å; E466-S508 WeakPolarHBondContact OE2-CB 3.38Å; E466-S508 PolarHBondContact OE2-OG 3.01Å; K499-S508 PolarHBondContact NZ-O 3.39Å; K499-S508 VanDerWaalsContact NZ-O 3.11Å; K499-S508 PolarHBondContact NZ-OG 2.99Å; S508-G510 PolarHBondContact O-N 3.41Å
509	S	81	Confident	81.2	Confident	74 Å²	74	56.2 Å²	56.2	52%	0.517	32%	0.317	S	S	.	.			trans	-76.6	-8.5	177.1	64.8	0	0	0	0	113.8	C453 S455 Y496	C453-S509 PolarHBondContact SG-OG 3.27Å; C453-S509 VanDerWaalsContact SG-OG 3.36Å; S455-S509 PolarHBondContact OG-N 3.18Å; S455-S509 VanDerWaalsContact OG-N 3.11Å; S455-S509 PolarHBondContact OG-OG 3.48Å; S455-S509 VanDerWaalsContact OG-OG 3.08Å; Y496-S509 WeakPolarHBondContact CE1-O 3.24Å; Y496-S509 PolarHBondContact OH-O 2.99Å
510	G	87.4	Confident	81.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.314	C	S	.	.			trans	-79.2	172.5	-178.7	0	0	0	0	0	113.8	I467 K499 S508	I467-G510 CarbonylContact O-C 3.49Å; I467-G510 WeakPolarHBondContact O-CA 3.3Å; K499-G510 PolarHBondContact NZ-O 2.95Å; S508-G510 PolarHBondContact O-N 3.41Å
511	I	90.3	Very high	81.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.5	173.8	-170.3	64.1	0	0	0	109.6	E466 I467 A472 A495 Y496 K499 H515	E466-I511 VanDerWaalsContact CA-O 3.29Å; E466-I511 WeakPolarHBondContact CA-O 3.48Å; I467-I511 HydrophobicContact CG1-CG2 4.11Å; I467-I511 PolarHBondContact N-O 3.11Å; I467-I511 PolarHBondContact O-N 3.4Å; A472-I511 HydrophobicContact CB-CG2 3.58Å; A495-I511 HydrophobicContact CB-CD1 4.04Å; A495-I511 HydrophobicContact CB-CG1 4.17Å; Y496-I511 HydrophobicContact CE2-CB 4.38Å; K499-I511 HydrophobicContact CB-CD1 4.09Å; K499-I511 HydrophobicContact CD-CD1 4.07Å; I511-H515 HydrophobicContact CD1-CB 3.5Å; I511-H515 VanDerWaalsContact CD1-CB 3.5Å; I511-H515 HydrophobicContact CG1-CB 4.22Å
512	S	90.6	Very high	82.4	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	159.4	176.2	79.6	0	0	0	0	111.6	E514 H515 L516	S512-E514 VanDerWaalsContact C-N 3.27Å; S512-E514 PolarHBondContact O-N 3.37Å; S512-H515 PolarHBondContact O-N 2.94Å; S512-H515 PolarHBondContact OG-ND1 2.84Å; S512-L516 WeakPolarHBondContact O-CB 3.44Å; S512-L516 PolarHBondContact O-N 3.18Å
513	G	90	Very high	83	Confident	1 Å²	1	53 Å²	53	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-36.8	178.2	0	0	0	0	0	113.3	F443 L516 Y517	F443-G513 WeakPolarHBondContact CB-O 3.45Å; G513-L516 PolarHBondContact O-N 2.94Å; G513-Y517 PolarHBondContact O-N 3.15Å
514	E	90.8	Very high	84.1	Confident	100 Å²	100	50.7 Å²	50.7	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-51.3	178.6	-65.8	178.8	164.7	0	0	111.9	S512 L516 Y517 E518	S512-E514 VanDerWaalsContact C-N 3.27Å; S512-E514 PolarHBondContact O-N 3.37Å; E514-L516 VanDerWaalsContact C-N 3.29Å; E514-L516 PolarHBondContact O-N 2.93Å; E514-Y517 PolarHBondContact O-N 3.49Å; E514-E518 WeakPolarHBondContact O-CG 3.46Å; E514-E518 PolarHBondContact O-N 3.49Å
515	H	91.8	Very high	85.6	Confident	14 Å²	14	48.5 Å²	48.5	7%	0.065	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-34.6	178	-63.8	105.1	0	0	0	112.1	A495 T502 I511 S512 E518 G519	A495-H515 VanDerWaalsContact CB-O 3.29Å; A495-H515 WeakPolarHBondContact CB-O 3.45Å; T502-H515 PolarHBondContact OG1-NE2 2.87Å; I511-H515 HydrophobicContact CD1-CB 3.5Å; I511-H515 VanDerWaalsContact CD1-CB 3.5Å; I511-H515 HydrophobicContact CG1-CB 4.22Å; S512-H515 PolarHBondContact O-N 2.94Å; S512-H515 PolarHBondContact OG-ND1 2.84Å; H515-E518 PolarHBondContact O-N 2.92Å; H515-G519 PolarHBondContact O-N 3.01Å
516	L	93.5	Very high	87.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-44.2	175.7	-173.5	63.3	0	0	0	111.5	F443 A472 L475 L476 L492 S512 G513 E514 G519 L520	F443-L516 HydrophobicContact CD1-CB 4.23Å; F443-L516 HydrophobicContact CD1-CD2 4.01Å; F443-L516 HydrophobicContact CD1-CG 4.15Å; F443-L516 HydrophobicContact CE1-CB 4.43Å; F443-L516 HydrophobicContact CE1-CD2 3.99Å; F443-L516 HydrophobicContact CE1-CG 3.95Å; A472-L516 HydrophobicContact CB-CD1 4.31Å; A472-L516 HydrophobicContact CB-CD2 4.32Å; L475-L516 HydrophobicContact CD1-CD2 4.45Å; L475-L516 HydrophobicContact CD2-CD2 4.04Å; L476-L516 HydrophobicContact CD1-CD1 3.83Å; L476-L516 HydrophobicContact CD2-CD1 4.22Å; L476-L516 HydrophobicContact CD2-CD2 4.38Å; L476-L516 HydrophobicContact CD2-CG 4.17Å; L476-L516 HydrophobicContact CG-CD1 4.05Å; L476-L516 HydrophobicContact CG-CD2 4.33Å; L476-L516 HydrophobicContact CG-CG 4.37Å; L492-L516 HydrophobicContact CD2-CD1 3.7Å; S512-L516 WeakPolarHBondContact O-CB 3.44Å; S512-L516 PolarHBondContact O-N 3.18Å; G513-L516 PolarHBondContact O-N 2.94Å; E514-L516 VanDerWaalsContact C-N 3.29Å; E514-L516 PolarHBondContact O-N 2.93Å; L516-G519 PolarHBondContact O-N 3.22Å; L516-L520 PolarHBondContact O-N 3.04Å; L516-L520 VanDerWaalsContact O-N 3.08Å
517	Y	94.2	Very high	88.8	Confident	11 Å²	11	44.6 Å²	44.6	4%	0.043	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-43.7	174.8	171.3	-102.7	0	0	0	112	P439 H440 F443 G513 E514 G519 L520 L521 A528 N529	P439-Y517 HydrophobicContact CB-CD2 3.8Å; P439-Y517 HydrophobicContact CB-CE1 4.31Å; P439-Y517 HydrophobicContact CB-CE2 3.27Å; P439-Y517 HydrophobicContact CB-CG 4.49Å; P439-Y517 HydrophobicContact CG-CE2 4.08Å; H440-Y517 AromaticContact CD2-CD1 3.99Å; H440-Y517 AromaticContact CD2-CE1 3.75Å; H440-Y517 AromaticContact CE1-CD1 3.25Å; H440-Y517 WeakPolarHBondContact CE1-CD1 3.38Å; H440-Y517 AromaticContact CE1-CE1 3.43Å; H440-Y517 VanDerWaalsContact CE1-CE1 3.43Å; H440-Y517 WeakPolarHBondContact CE1-CE1 3.47Å; H440-Y517 AromaticContact CG-CD1 3.85Å; H440-Y517 AromaticContact ND1-CD1 3.38Å; H440-Y517 WeakPolarHBondContact ND1-CD1 3.42Å; H440-Y517 AromaticContact ND1-CE1 3.89Å; H440-Y517 AromaticContact NE2-CD1 3.63Å; H440-Y517 AromaticContact NE2-CE1 3.3Å; H440-Y517 VanDerWaalsContact NE2-CE1 3.3Å; H440-Y517 WeakPolarHBondContact NE2-CE1 3.46Å; F443-Y517 AromaticContact CD2-CD2 3.87Å; F443-Y517 HydrophobicContact CD2-CD2 3.87Å; F443-Y517 HydrophobicContact CD2-CG 4.22Å; F443-Y517 AromaticContact CE2-CD2 3.59Å; F443-Y517 HydrophobicContact CE2-CD2 3.59Å; F443-Y517 HydrophobicContact CE2-CG 4.29Å; F443-Y517 HydrophobicContact CZ-CD2 4.19Å; G513-Y517 PolarHBondContact O-N 3.15Å; E514-Y517 PolarHBondContact O-N 3.49Å; Y517-G519 VanDerWaalsContact C-N 3.3Å; Y517-G519 PolarHBondContact O-N 2.91Å; Y517-L520 PolarHBondContact O-N 3.32Å; Y517-L520 VanDerWaalsContact O-N 3.11Å; Y517-L521 HydrophobicContact CE1-CB 4.45Å; Y517-L521 HydrophobicContact CE1-CD2 3.95Å; Y517-L521 WeakPolarHBondContact O-CB 3.41Å; Y517-L521 PolarHBondContact O-N 2.96Å; Y517-A528 HydrophobicContact CD2-CB 4.49Å; Y517-A528 HydrophobicContact CE2-CB 3.89Å; Y517-N529 PolarHBondContact OH-OD1 3.25Å
518	E	93.5	Very high	90.2	Very high	74 Å²	74	40.4 Å²	40.4	35%	0.346	21%	0.211	S	C	.	.	H	α-helix	trans	-62.4	-37.7	177.3	-71.2	-177.9	170	0	0	112.5	I498 E514 H515 Y522	I498-E518 HydrophobicContact CD1-CB 3.93Å; I498-E518 VanDerWaalsContact CG2-OE2 3.28Å; I498-E518 WeakPolarHBondContact CG2-OE2 3.27Å; E514-E518 WeakPolarHBondContact O-CG 3.46Å; E514-E518 PolarHBondContact O-N 3.49Å; H515-E518 PolarHBondContact O-N 2.92Å; E518-Y522 WeakPolarHBondContact O-CB 3.46Å; E518-Y522 PolarHBondContact O-N 3.3Å
519	G	93.1	Very high	91.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-43.5	171.7	0	0	0	0	0	112.4	H515 L516 Y517 H523	H515-G519 PolarHBondContact O-N 3.01Å; L516-G519 PolarHBondContact O-N 3.22Å; Y517-G519 VanDerWaalsContact C-N 3.3Å; Y517-G519 PolarHBondContact O-N 2.91Å; G519-H523 PolarHBondContact O-CD2 3.3Å
520	L	94.1	Very high	91.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-46.6	177.6	179	66.1	0	0	0	111.4	F443 L476 F480 L482 I491 L516 Y517 Y522 H523 L524 A528	F443-L520 HydrophobicContact CZ-CD2 3.79Å; L476-L520 HydrophobicContact CD2-CD2 4.46Å; F480-L520 HydrophobicContact CD1-CD2 4.46Å; F480-L520 HydrophobicContact CD2-CD2 3.76Å; F480-L520 HydrophobicContact CE1-CD2 4.2Å; F480-L520 HydrophobicContact CE2-CD2 3.5Å; F480-L520 HydrophobicContact CG-CD2 4.25Å; F480-L520 HydrophobicContact CZ-CD2 3.73Å; L482-L520 HydrophobicContact CD2-CD1 4.5Å; I491-L520 HydrophobicContact CD1-CD1 3.61Å; I491-L520 HydrophobicContact CG1-CD1 4.32Å; I491-L520 HydrophobicContact CG2-CB 4.11Å; L516-L520 PolarHBondContact O-N 3.04Å; L516-L520 VanDerWaalsContact O-N 3.08Å; Y517-L520 PolarHBondContact O-N 3.32Å; Y517-L520 VanDerWaalsContact O-N 3.11Å; L520-Y522 PolarHBondContact O-N 2.83Å; L520-H523 PolarHBondContact O-N 3.38Å; L520-H523 VanDerWaalsContact O-N 3.17Å; L520-L524 HydrophobicContact CD1-CB 4.21Å; L520-L524 HydrophobicContact CD1-CD1 4.42Å; L520-L524 CarbonylContact O-C 3.32Å; L520-L524 PolarHBondContact O-N 2.92Å; L520-A528 HydrophobicContact CD2-CB 3.96Å; L520-A528 HydrophobicContact CG-CB 3.91Å
521	L	93.9	Very high	92.1	Very high	61 Å²	61	38.2 Å²	38.2	32%	0.319	19%	0.191	S	C	.	.	H	α-helix	trans	-58.7	-35.8	179.9	-176.7	66.1	0	0	0	111.9	Y517 P525 A528	Y517-L521 HydrophobicContact CE1-CB 4.45Å; Y517-L521 HydrophobicContact CE1-CD2 3.95Å; Y517-L521 WeakPolarHBondContact O-CB 3.41Å; Y517-L521 PolarHBondContact O-N 2.96Å; L521-P525 HydrophobicContact CD1-CB 4.11Å; L521-A528 HydrophobicContact CB-CB 4.34Å; L521-A528 HydrophobicContact CD1-CB 4.11Å
522	Y	93	Very high	92.2	Very high	140 Å²	140	39.4 Å²	39.4	55%	0.549	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-40.4	177.8	-176.2	-95.9	0	0	0	113	R494 E518 L520	R494-Y522 HydrophobicContact CG-CD1 3.87Å; R494-Y522 HydrophobicContact CG-CG 4.16Å; R494-Y522 VanDerWaalsContact NH2-CE2 3.3Å; E518-Y522 WeakPolarHBondContact O-CB 3.46Å; E518-Y522 PolarHBondContact O-N 3.3Å; L520-Y522 PolarHBondContact O-N 2.83Å
523	H	91.7	Very high	92.3	Very high	58 Å²	58	43.3 Å²	43.3	27%	0.269	22%	0.219	S	C	.	.	H	α-helix	trans	-91.7	-40.2	-176.5	-75.1	-67.5	0	0	0	113.2	L490 I491 R494 G519 L520	L490-H523 VanDerWaalsContact CD2-CE1 3.49Å; L490-H523 WeakPolarHBondContact CD2-CE1 3.41Å; L490-H523 VanDerWaalsContact CG-CE1 3.47Å; L490-H523 WeakPolarHBondContact CG-CE1 3.31Å; I491-H523 HydrophobicContact CG1-CB 4.28Å; R494-H523 WeakPolarHBondContact CB-NE2 3.29Å; G519-H523 PolarHBondContact O-CD2 3.3Å; L520-H523 PolarHBondContact O-N 3.38Å; L520-H523 VanDerWaalsContact O-N 3.17Å
524	L	92.4	Very high	92.4	Very high	54 Å²	54	43.6 Å²	43.6	28%	0.283	22%	0.22	S	C	.	.			trans	-138.9	73.2	-171	-62.4	175.6	0	0	0	110.7	L482 T487 I491 L520 D526 V527 A528	L482-L524 HydrophobicContact CD2-CD1 3.78Å; T487-L524 HydrophobicContact CG2-CD1 3.84Å; I491-L524 HydrophobicContact CD1-CD1 4.35Å; L520-L524 HydrophobicContact CD1-CB 4.21Å; L520-L524 HydrophobicContact CD1-CD1 4.42Å; L520-L524 CarbonylContact O-C 3.32Å; L520-L524 PolarHBondContact O-N 2.92Å; L524-D526 VanDerWaalsContact C-N 3.33Å; L524-D526 PolarHBondContact O-N 3.43Å; L524-V527 HydrophobicContact CB-CB 3.88Å; L524-V527 HydrophobicContact CB-CG2 3.99Å; L524-V527 HydrophobicContact CD1-CG2 4.27Å; L524-V527 PolarHBondContact O-N 3.38Å; L524-A528 WeakPolarHBondContact O-CB 3.47Å; L524-A528 PolarHBondContact O-N 3.47Å
525	P	91.5	Very high	92.3	Very high	63 Å²	63	40.1 Å²	40.1	41%	0.409	20%	0.204	S	C	.	.	H	α-helix	trans	-63.2	-35.2	-176	24.1	-34.2	0	0	0	113.9	L521 A528 N529	L521-P525 HydrophobicContact CD1-CB 4.11Å; P525-A528 PolarHBondContact O-N 3.01Å; P525-N529 PolarHBondContact O-N 3.39Å; P525-N529 PolarHBondContact O-ND2 2.95Å
526	D	90	Very high	92.2	Very high	128 Å²	128	42.2 Å²	42.2	68%	0.684	22%	0.224	S	C	*	.	H	α-helix	trans	-68.1	-37.4	178	-66.4	-24.1	0	0	0	111.9	L524 C530	L524-D526 VanDerWaalsContact C-N 3.33Å; L524-D526 PolarHBondContact O-N 3.43Å; D526-C530 PolarHBondContact O-N 3.05Å
527	V	91	Very high	92	Very high	38 Å²	38	44.4 Å²	44.4	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-71.2	-43.4	176.9	179.6	0	0	0	0	109.8	F480 L482 L524 N529 C530	F480-V527 HydrophobicContact CB-CG1 3.66Å; F480-V527 HydrophobicContact CD1-CG1 3.55Å; F480-V527 WeakPolarHBondContact CD1-O 3.43Å; F480-V527 HydrophobicContact CE1-CG1 4.49Å; F480-V527 WeakPolarHBondContact CE1-O 3.45Å; F480-V527 HydrophobicContact CG-CG1 3.78Å; L482-V527 HydrophobicContact CD2-CG1 4.32Å; L524-V527 HydrophobicContact CB-CB 3.88Å; L524-V527 HydrophobicContact CB-CG2 3.99Å; L524-V527 HydrophobicContact CD1-CG2 4.27Å; L524-V527 PolarHBondContact O-N 3.38Å; V527-N529 PolarHBondContact O-N 3.33Å; V527-C530 WeakPolarHBondContact O-CB 3.36Å; V527-C530 PolarHBondContact O-N 3.05Å; V527-C530 PolarHBondContact O-SG 3.43Å
528	A	90.9	Very high	91.6	Very high	5 Å²	5	44 Å²	44	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-56.2	-34.4	177.3	0	0	0	0	0	112.8	Y517 L520 L521 L524 P525	Y517-A528 HydrophobicContact CD2-CB 4.49Å; Y517-A528 HydrophobicContact CE2-CB 3.89Å; L520-A528 HydrophobicContact CD2-CB 3.96Å; L520-A528 HydrophobicContact CG-CB 3.91Å; L521-A528 HydrophobicContact CB-CB 4.34Å; L521-A528 HydrophobicContact CD1-CB 4.11Å; L524-A528 WeakPolarHBondContact O-CB 3.47Å; L524-A528 PolarHBondContact O-N 3.47Å; P525-A528 PolarHBondContact O-N 3.01Å
529	N	92.5	Very high	91.2	Very high	39 Å²	39	42.7 Å²	42.7	21%	0.209	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12	-177.3	-66.5	-65.7	0	0	0	113.9	Y517 P525 V527 Y531 A532 H533	Y517-N529 PolarHBondContact OH-OD1 3.25Å; P525-N529 PolarHBondContact O-N 3.39Å; P525-N529 PolarHBondContact O-ND2 2.95Å; V527-N529 PolarHBondContact O-N 3.33Å; N529-Y531 VanDerWaalsContact C-N 3.31Å; N529-Y531 PolarHBondContact O-N 3.29Å; N529-A532 HydrophobicContact CB-CB 4.44Å; N529-A532 WeakPolarHBondContact O-CB 3.33Å; N529-A532 PolarHBondContact O-N 2.65Å; N529-H533 PolarHBondContact O-CD2 2.95Å; N529-H533 PolarHBondContact O-N 3.28Å
530	C	92.8	Very high	90.7	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.047	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-38.6	-173.5	69.5	0	0	0	0	113.3	H328 D526 V527 H533 F534	H328-C530 WeakPolarHBondContact O-CB 3.45Å; D526-C530 PolarHBondContact O-N 3.05Å; V527-C530 WeakPolarHBondContact O-CB 3.36Å; V527-C530 PolarHBondContact O-N 3.05Å; V527-C530 PolarHBondContact O-SG 3.43Å; C530-H533 PolarHBondContact O-N 3.21Å; C530-F534 WeakPolarHBondContact O-CB 3.43Å; C530-F534 PolarHBondContact O-N 3.29Å
531	Y	93.2	Very high	89.9	Confident	8 Å²	8	51.2 Å²	51.2	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-69.4	-34	175.7	-72.2	-91.3	0	0	0	112.5	I330 V336 H429 M432 L433 A479 F480 N529 F534 D535	I330-Y531 HydrophobicContact CD1-CD1 4.03Å; I330-Y531 HydrophobicContact CD1-CE1 4.1Å; I330-Y531 HydrophobicContact CG2-CE1 4.03Å; V336-Y531 HydrophobicContact CG1-CE1 4.24Å; H429-Y531 PolarHBondContact ND1-OH 3.26Å; M432-Y531 HydrophobicContact CB-CD1 3.69Å; M432-Y531 HydrophobicContact CB-CD2 3.84Å; M432-Y531 HydrophobicContact CB-CE1 3.61Å; M432-Y531 HydrophobicContact CB-CE2 3.78Å; M432-Y531 HydrophobicContact CB-CG 3.8Å; M432-Y531 HydrophobicContact CG-CD2 4.21Å; M432-Y531 HydrophobicContact CG-CE2 3.93Å; L433-Y531 HydrophobicContact CD2-CD1 4.42Å; A479-Y531 WeakPolarHBondContact O-CE2 3.47Å; A479-Y531 PolarHBondContact O-OH 2.97Å; F480-Y531 HydrophobicContact CE1-CD2 4.18Å; F480-Y531 HydrophobicContact CE1-CE2 4.14Å; N529-Y531 VanDerWaalsContact C-N 3.31Å; N529-Y531 PolarHBondContact O-N 3.29Å; Y531-F534 PolarHBondContact O-N 3.08Å; Y531-D535 PolarHBondContact O-N 3.47Å
532	A	91.9	Very high	89	Confident	25 Å²	25	49.8 Å²	49.8	21%	0.207	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-43.9	174.2	0	0	0	0	0	111.1	P436 N529 D535 A536	P436-A532 WeakPolarHBondContact O-CA 3.45Å; P436-A532 WeakPolarHBondContact O-CB 3.4Å; N529-A532 HydrophobicContact CB-CB 4.44Å; N529-A532 WeakPolarHBondContact O-CB 3.33Å; N529-A532 PolarHBondContact O-N 2.65Å; A532-D535 PolarHBondContact O-N 3.36Å; A532-A536 WeakPolarHBondContact O-CB 3.34Å; A532-A536 PolarHBondContact O-N 2.98Å
533	H	92.4	Very high	87.5	Confident	83 Å²	83	44.5 Å²	44.5	38%	0.384	25%	0.247	S	C	.	.	H	α-helix	trans	-65.3	-40.6	175.9	-65.4	-51	0	0	0	112.3	H328 N529 C530 A536 E537	H328-H533 VanDerWaalsContact CE1-CB 3.49Å; H328-H533 WeakPolarHBondContact CE1-CB 3.46Å; H328-H533 WeakPolarHBondContact ND1-CB 3.48Å; N529-H533 PolarHBondContact O-CD2 2.95Å; N529-H533 PolarHBondContact O-N 3.28Å; C530-H533 PolarHBondContact O-N 3.21Å; H533-A536 PolarHBondContact O-N 3.47Å; H533-E537 PolarHBondContact O-N 2.91Å
534	F	91.5	Very high	85.4	Confident	7 Å²	7	53.5 Å²	53.5	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-49.5	173.1	168.3	-101.5	0	0	0	112.1	I324 A325 I330 V337 L433 C530 Y531 E537 I538	I324-F534 HydrophobicContact CB-CD2 4.14Å; I324-F534 HydrophobicContact CB-CE2 4.28Å; I324-F534 HydrophobicContact CG2-CD2 3.68Å; I324-F534 HydrophobicContact CG2-CE2 4.25Å; I324-F534 HydrophobicContact CG2-CG 4.5Å; A325-F534 HydrophobicContact CB-CD2 3.93Å; A325-F534 HydrophobicContact CB-CE2 3.59Å; A325-F534 HydrophobicContact CB-CZ 4.41Å; I330-F534 HydrophobicContact CD1-CB 3.77Å; I330-F534 HydrophobicContact CD1-CD1 4.08Å; I330-F534 HydrophobicContact CD1-CD2 3.83Å; I330-F534 HydrophobicContact CD1-CE2 4.44Å; I330-F534 HydrophobicContact CD1-CG 3.63Å; V337-F534 HydrophobicContact CG2-CZ 4.35Å; L433-F534 HydrophobicContact CD2-CE1 3.96Å; C530-F534 WeakPolarHBondContact O-CB 3.43Å; C530-F534 PolarHBondContact O-N 3.29Å; Y531-F534 PolarHBondContact O-N 3.08Å; F534-E537 PolarHBondContact O-N 3.28Å; F534-I538 HydrophobicContact CD1-CD1 4.02Å; F534-I538 HydrophobicContact CD2-CD1 4.06Å; F534-I538 HydrophobicContact CE1-CD1 3.44Å; F534-I538 VanDerWaalsContact CE1-CD1 3.44Å; F534-I538 HydrophobicContact CE2-CD1 3.44Å; F534-I538 VanDerWaalsContact CE2-CD1 3.44Å; F534-I538 HydrophobicContact CE2-CG1 4.25Å; F534-I538 HydrophobicContact CG-CD1 4.3Å; F534-I538 HydrophobicContact CZ-CD1 3.13Å; F534-I538 HydrophobicContact CZ-CG1 4.35Å; F534-I538 WeakPolarHBondContact O-CB 3.35Å; F534-I538 WeakPolarHBondContact O-CG1 3.12Å; F534-I538 PolarHBondContact O-N 3.09Å
535	D	90.2	Very high	83.2	Confident	27 Å²	27	58.8 Å²	58.8	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-42.9	177.4	-178.9	62.8	0	0	0	112	P436 K437 Y531 A532 E537 I538 N539	P436-D535 HydrophobicContact CB-CB 3.62Å; P436-D535 HydrophobicContact CG-CB 3.72Å; K437-D535 WeakPolarHBondContact CE-OD2 3.26Å; Y531-D535 PolarHBondContact O-N 3.47Å; A532-D535 PolarHBondContact O-N 3.36Å; D535-E537 PolarHBondContact O-N 3Å; D535-I538 PolarHBondContact O-N 3.35Å; D535-N539 VanDerWaalsContact CG-ND2 3.31Å; D535-N539 WeakPolarHBondContact O-CB 3.42Å; D535-N539 VanDerWaalsContact O-CG 3.28Å; D535-N539 PolarHBondContact O-N 2.9Å; D535-N539 PolarHBondContact O-ND2 3.08Å; D535-N539 PolarHBondContact OD1-ND2 2.69Å; D535-N539 PolarHBondContact OD2-ND2 3.4Å
536	A	90	Very high	81	Confident	58 Å²	58	58.4 Å²	58.4	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-61.4	-43.7	178.1	0	0	0	0	0	112.6	A532 H533 N539 K540	A532-A536 WeakPolarHBondContact O-CB 3.34Å; A532-A536 PolarHBondContact O-N 2.98Å; H533-A536 PolarHBondContact O-N 3.47Å; A536-N539 PolarHBondContact O-N 3.3Å; A536-K540 WeakPolarHBondContact O-CB 3.29Å; A536-K540 PolarHBondContact O-N 2.93Å
537	E	88.5	Confident	78.7	Confident	46 Å²	46	61.5 Å²	61.5	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-70.9	-37.4	178.5	-169.4	87.3	141.7	0	0	111.5	I324 K327 H533 F534 D535 K540 V541	I324-E537 HydrophobicContact CD1-CG 4.24Å; I324-E537 HydrophobicContact CG1-CG 4.25Å; I324-E537 HydrophobicContact CG2-CB 3.79Å; I324-E537 HydrophobicContact CG2-CG 3.93Å; K327-E537 IonicContact NZ-OE1 3.64Å; K327-E537 PolarHBondContact NZ-OE1 3.23Å; H533-E537 PolarHBondContact O-N 2.91Å; F534-E537 PolarHBondContact O-N 3.28Å; D535-E537 PolarHBondContact O-N 3Å; E537-K540 WeakPolarHBondContact O-CB 3.27Å; E537-K540 PolarHBondContact O-N 3.44Å; E537-K540 IonicContact OE2-NZ 3.24Å; E537-V541 WeakPolarHBondContact O-CG2 3.45Å; E537-V541 PolarHBondContact O-N 2.91Å
538	I	86.1	Confident	76.4	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-49.6	171.4	-78.9	179.3	0	0	0	110.7	Q321 I324 F534 D535 K540 V541 F542	Q321-I538 HydrophobicContact CB-CD1 4.43Å; Q321-I538 HydrophobicContact CG-CD1 3.82Å; Q321-I538 HydrophobicContact CG-CG1 4.34Å; I324-I538 HydrophobicContact CD1-CG1 3.86Å; I324-I538 HydrophobicContact CG2-CG1 4.38Å; F534-I538 HydrophobicContact CD1-CD1 4.02Å; F534-I538 HydrophobicContact CD2-CD1 4.06Å; F534-I538 HydrophobicContact CE1-CD1 3.44Å; F534-I538 VanDerWaalsContact CE1-CD1 3.44Å; F534-I538 HydrophobicContact CE2-CD1 3.44Å; F534-I538 VanDerWaalsContact CE2-CD1 3.44Å; F534-I538 HydrophobicContact CE2-CG1 4.25Å; F534-I538 HydrophobicContact CG-CD1 4.3Å; F534-I538 HydrophobicContact CZ-CD1 3.13Å; F534-I538 HydrophobicContact CZ-CG1 4.35Å; F534-I538 WeakPolarHBondContact O-CB 3.35Å; F534-I538 WeakPolarHBondContact O-CG1 3.12Å; F534-I538 PolarHBondContact O-N 3.09Å; D535-I538 PolarHBondContact O-N 3.35Å; I538-K540 PolarHBondContact O-N 3.4Å; I538-V541 PolarHBondContact O-N 3.34Å; I538-V541 VanDerWaalsContact O-N 3.15Å; I538-F542 HydrophobicContact CB-CD2 4.46Å; I538-F542 HydrophobicContact CG2-CD2 3.9Å; I538-F542 HydrophobicContact CG2-CE2 4.46Å; I538-F542 WeakPolarHBondContact O-CD2 3.49Å; I538-F542 PolarHBondContact O-N 3.04Å
539	N	84.8	Confident	74.1	Confident	45 Å²	45	63.7 Å²	63.7	24%	0.241	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-30.7	179.6	-73.7	-41.9	0	0	0	112.1	D535 A536 G543	D535-N539 VanDerWaalsContact CG-ND2 3.31Å; D535-N539 WeakPolarHBondContact O-CB 3.42Å; D535-N539 VanDerWaalsContact O-CG 3.28Å; D535-N539 PolarHBondContact O-N 2.9Å; D535-N539 PolarHBondContact O-ND2 3.08Å; D535-N539 PolarHBondContact OD1-ND2 2.69Å; D535-N539 PolarHBondContact OD2-ND2 3.4Å; A536-N539 PolarHBondContact O-N 3.3Å; N539-G543 WeakPolarHBondContact O-CA 3.41Å; N539-G543 PolarHBondContact O-N 2.86Å
540	K	83.1	Confident	71.3	Confident	148 Å²	148	63.3 Å²	63.3	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-71.4	-41.6	173.4	-178	-176.8	174.4	-173	0	112.9	A536 E537 I538	A536-K540 WeakPolarHBondContact O-CB 3.29Å; A536-K540 PolarHBondContact O-N 2.93Å; E537-K540 WeakPolarHBondContact O-CB 3.27Å; E537-K540 PolarHBondContact O-N 3.44Å; E537-K540 IonicContact OE2-NZ 3.24Å; I538-K540 PolarHBondContact O-N 3.4Å
541	V	75.7	Confident	68.7	Low	32 Å²	32	66.9 Å²	66.9	19%	0.194	32%	0.323	C	S	.	.	H	α-helix	trans	-73.4	-48	-179	172.1	0	0	0	0	110.9	I324 E537 I538 V603	I324-V541 HydrophobicContact CD1-CG2 4.14Å; E537-V541 WeakPolarHBondContact O-CG2 3.45Å; E537-V541 PolarHBondContact O-N 2.91Å; I538-V541 PolarHBondContact O-N 3.34Å; I538-V541 VanDerWaalsContact O-N 3.15Å; V541-V603 HydrophobicContact CG1-CG1 4.41Å; V541-V603 VanDerWaalsContact O-CG1 3.28Å; V541-V603 WeakPolarHBondContact O-CG1 3.36Å; V541-V603 VanDerWaalsContact O-CG2 3.3Å; V541-V603 WeakPolarHBondContact O-CG2 3.23Å
542	F	74.8	Confident	65.8	Low	30 Å²	30	68.6 Å²	68.6	13%	0.132	34%	0.337	C	S	.	.	H	α-helix	trans	-96.7	-10.9	-172.9	-60.3	-76.8	0	0	0	114.3	D317 C320 Q321 I538 V603	D317-F542 HydrophobicContact CB-CE1 3.87Å; D317-F542 HydrophobicContact CB-CZ 4.15Å; C320-F542 HydrophobicContact CB-CE1 4.47Å; C320-F542 HydrophobicContact CB-CE2 4.38Å; C320-F542 HydrophobicContact CB-CZ 3.63Å; Q321-F542 HydrophobicContact CG-CE2 4.08Å; Q321-F542 HydrophobicContact CG-CZ 4.45Å; I538-F542 HydrophobicContact CB-CD2 4.46Å; I538-F542 HydrophobicContact CG2-CD2 3.9Å; I538-F542 HydrophobicContact CG2-CE2 4.46Å; I538-F542 WeakPolarHBondContact O-CD2 3.49Å; I538-F542 PolarHBondContact O-N 3.04Å; F542-V603 HydrophobicContact CD1-CG2 4.01Å
543	G	63.2	Low	62.8	Low	29 Å²	29	71.1 Å²	71.1	30%	0.299	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	66.3	-169.6	-176.4	0	0	0	0	0	113.8	N539 H545	N539-G543 WeakPolarHBondContact O-CA 3.41Å; N539-G543 PolarHBondContact O-N 2.86Å; G543-H545 PolarHBondContact O-N 2.83Å
544	R	46.4	Very low	59.7	Low	248 Å²	248	71 Å²	71	94%	0.936	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-64	10	176.9	-73.2	-172.7	179.7	178.5	-1.3	114.8	R546	R544-R546 VanDerWaalsContact C-N 3.33Å
545	H	46.2	Very low	56.6	Low	165 Å²	165	76.9 Å²	76.9	76%	0.764	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-77.8	-16.5	-179.9	-70.1	88.2	0	0	0	113.3	G543	G543-H545 PolarHBondContact O-N 2.83Å
546	R	44.9	Very low	53.5	Low	54 Å²	54	79.1 Å²	79.1	20%	0.204	42%	0.416	C	S	.	.	S	Bend	trans	-93.2	112.3	161.2	-118.8	-175.4	-176.3	-167.9	4.2	107.8	Q321 N340 Q344 R544 P548	Q321-R546 VanDerWaalsContact OE1-CZ 3.32Å; Q321-R546 VanDerWaalsContact OE1-NH2 3.09Å; N340-R546 PolarHBondContact ND2-NH1 3.04Å; Q344-R546 VanDerWaalsContact NE2-NH2 3.16Å; R544-R546 VanDerWaalsContact C-N 3.33Å; R546-P548 WeakPolarHBondContact O-CD 3.4Å
547	R	42	Very low	50.5	Low	193 Å²	193	86.1 Å²	86.1	73%	0.728	44%	0.435	S	S	*	.			trans	-68.2	122	155.4	-68.6	-174	-175.4	-161.1	-1.3	106	E359	E359-R547 IonicContact OE1-NH1 2.78Å
548	P	42.3	Very low	47.5	Very low	55 Å²	55	90.4 Å²	90.4	36%	0.357	46%	0.459	S	S	.	.			trans	-50.5	147.6	161.6	-23.5	35	0	0	0	108.9	R546 I550	R546-P548 WeakPolarHBondContact O-CD 3.4Å; P548-I550 WeakPolarHBondContact CB-O 3.42Å; P548-I550 PolarHBondContact O-N 3.17Å; P548-I550 VanDerWaalsContact O-N 3.14Å
549	L	43.6	Very low	44.6	Very low	35 Å²	35	96.6 Å²	96.6	18%	0.183	49%	0.493	C	S	.	.	S	Bend	trans	-57.9	-25.6	171.8	-73.3	167.5	0	0	0	111.3	L343 Q344 F347 F366 L434	L343-L549 HydrophobicContact CD2-CD1 3.62Å; L343-L549 HydrophobicContact CG-CD1 3.7Å; Q344-L549 HydrophobicContact CG-CD1 4.49Å; F347-L549 HydrophobicContact CB-CD2 3.67Å; F347-L549 HydrophobicContact CD1-CD2 3.44Å; F347-L549 VanDerWaalsContact CD1-CD2 3.44Å; F347-L549 HydrophobicContact CD2-CD2 3.93Å; F347-L549 HydrophobicContact CE1-CD2 3.95Å; F347-L549 HydrophobicContact CE2-CD2 4.39Å; F347-L549 HydrophobicContact CG-CD2 3.4Å; F347-L549 HydrophobicContact CZ-CD2 4.37Å; F366-L549 HydrophobicContact CE2-CD1 4.17Å; F366-L549 HydrophobicContact CZ-CD1 4.34Å; L434-L549 HydrophobicContact CD2-CB 4.4Å; L434-L549 HydrophobicContact CD2-CD1 4.22Å
550	I	34.4	Very low	42.1	Very low	30 Å²	30	99.7 Å²	99.7	15%	0.154	51%	0.509	C	S	.	.	S	Bend	trans	-137.1	115.8	174.8	-56.1	173.3	0	0	0	107.6	T363 F366 L434 F435 P548 S552	T363-I550 HydrophobicContact CG2-CG2 4.34Å; F366-I550 HydrophobicContact CD1-CD1 3.88Å; F366-I550 HydrophobicContact CD1-CG1 4.29Å; F366-I550 HydrophobicContact CE1-CD1 4.16Å; L434-I550 HydrophobicContact CD2-CD1 4.46Å; F435-I550 HydrophobicContact CE1-CD1 4.27Å; F435-I550 HydrophobicContact CZ-CD1 4.23Å; P548-I550 WeakPolarHBondContact CB-O 3.42Å; P548-I550 PolarHBondContact O-N 3.17Å; P548-I550 VanDerWaalsContact O-N 3.14Å; I550-S552 PolarHBondContact O-N 2.95Å; I550-S552 VanDerWaalsContact O-N 3.14Å
551	D	36.5	Very low	39.4	Very low	82 Å²	82	96 Å²	96	44%	0.439	50%	0.501	S	S	.	.			trans	-79.1	93.4	169.6	-164.5	-13.5	0	0	0	109	S553 S554	D551-S553 PolarHBondContact O-N 2.78Å; D551-S553 WeakPolarHBondContact OD1-CB 3.43Å; D551-S553 PolarHBondContact OD1-N 3.18Å; D551-S553 PolarHBondContact OD1-OG 2.99Å; D551-S554 PolarHBondContact O-N 3.08Å; D551-S554 PolarHBondContact O-OG 3.27Å
552	S	32.6	Very low	36.9	Very low	45 Å²	45	100.4 Å²	100.4	32%	0.315	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	6	-179.1	73.7	0	0	0	0	114.1	I550	I550-S552 PolarHBondContact O-N 2.95Å; I550-S552 VanDerWaalsContact O-N 3.14Å
553	S	29.9	Very low	34.4	Very low	77 Å²	77	105.5 Å²	105.5	54%	0.538	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	-9.9	176	71	0	0	0	0	114.3	D551 T555	D551-S553 PolarHBondContact O-N 2.78Å; D551-S553 WeakPolarHBondContact OD1-CB 3.43Å; D551-S553 PolarHBondContact OD1-N 3.18Å; D551-S553 PolarHBondContact OD1-OG 2.99Å; S553-T555 VanDerWaalsContact C-N 3.26Å; S553-T555 PolarHBondContact O-N 3.17Å
554	S	27.8	Very low	32.5	Very low	80 Å²	80	112.8 Å²	112.8	56%	0.559	58%	0.575	S	S	*	*			trans	-72.8	85.2	170.1	65	0	0	0	0	109.7	D551 S556	D551-S554 PolarHBondContact O-N 3.08Å; D551-S554 PolarHBondContact O-OG 3.27Å; S554-S556 PolarHBondContact O-N 3.36Å
555	T	24.7	Very low	31.5	Very low	132 Å²	132	107.4 Å²	107.4	81%	0.81	57%	0.572	S	S	*	*			trans	-66.8	68	161.6	45.7	0	0	0	0	109.4	S553	S553-T555 VanDerWaalsContact C-N 3.26Å; S553-T555 PolarHBondContact O-N 3.17Å
556	S	26.8	Very low	30.5	Very low	74 Å²	74	105 Å²	105	52%	0.517	57%	0.57	S	S	.	*			trans	-78	117.2	149.9	63.7	0	0	0	0	105.6	S554 N558	S554-S556 PolarHBondContact O-N 3.36Å; S556-N558 PolarHBondContact O-N 3.01Å
557	K	25.6	Very low	29.5	Very low	204 Å²	204	110.5 Å²	110.5	89%	0.887	60%	0.597	S	S	*	*			trans	-70.4	53.7	-179.1	-72	178.5	170.2	177.2	0	111.9
558	N	25.2	Very low	28.6	Very low	136 Å²	136	106.8 Å²	106.8	73%	0.727	60%	0.601	S	S	*	*			trans	-99.3	102.4	160.5	-77.4	-6	0	0	0	106.1	S556 L560	S556-N558 PolarHBondContact O-N 3.01Å; N558-L560 PolarHBondContact O-N 2.63Å
559	D	25	Very low	27.7	Very low	134 Å²	134	111 Å²	111	72%	0.717	62%	0.619	S	S	*	*			trans	-45.4	111	168.9	-77.3	-45.2	0	0	0	108.8	S561 D562	D559-S561 PolarHBondContact O-N 2.91Å; D559-D562 PolarHBondContact O-N 3.13Å
560	L	32.3	Very low	26.6	Very low	110 Å²	110	114.3 Å²	114.3	58%	0.576	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	14.5	-170.9	-149.2	78.9	0	0	0	113.2	N558	N558-L560 PolarHBondContact O-N 2.63Å
561	S	27.2	Very low	26	Very low	70 Å²	70	118.9 Å²	118.9	49%	0.49	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.7	-6.8	176.7	65.5	0	0	0	0	114.4	D559	D559-S561 PolarHBondContact O-N 2.91Å
562	D	24.2	Very low	25.3	Very low	126 Å²	126	120.8 Å²	120.8	67%	0.674	69%	0.686	S	S	*	*			trans	-108	55.5	-168.2	-72.9	1.7	0	0	0	113.5	D559	D559-D562 PolarHBondContact O-N 3.13Å
563	L	22.5	Very low	24.9	Very low	137 Å²	137	125.4 Å²	125.4	72%	0.717	71%	0.707	S	S	*	*			trans	-131.3	105.9	160.3	-88.1	161.1	0	0	0	109.4
564	K	23.2	Very low	24.6	Very low	181 Å²	181	127.1 Å²	127.1	79%	0.787	72%	0.719	S	S	*	*			trans	-59.8	148.6	171.1	-78.6	178.3	177.4	174.3	0	109.7	T566	K564-T566 PolarHBondContact O-N 3.29Å
565	P	24.9	Very low	24.4	Very low	135 Å²	135	130.7 Å²	130.7	88%	0.877	73%	0.731	S	S	*	*			trans	-65.6	95.6	178	26.5	-31.9	0	0	0	109.8
566	T	23.9	Very low	24.3	Very low	115 Å²	115	132.1 Å²	132.1	71%	0.706	73%	0.733	S	S	*	*			trans	-84.5	116	170.8	35.4	0	0	0	0	109	K564	K564-T566 PolarHBondContact O-N 3.29Å
567	H	24.2	Very low	24.2	Very low	170 Å²	170	133 Å²	133	79%	0.787	75%	0.746	S	S	*	*			trans	37.8	104.3	161.8	-72.3	-77.7	0	0	0	117.5	I569	H567-I569 PolarHBondContact O-N 3Å
568	S	24	Very low	24.1	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	74%	0.743	S	S	*	*			trans	-35.3	108.1	154.6	20.8	0	0	0	0	111.4	P570	S568-P570 WeakPolarHBondContact O-CD 3.44Å
569	I	22.6	Very low	24.1	Very low	143 Å²	143	128.8 Å²	128.8	73%	0.733	75%	0.747	S	S	*	*			trans	-60.6	121	166.1	-61.9	173.1	0	0	0	106.3	H567 V571	H567-I569 PolarHBondContact O-N 3Å; I569-V571 PolarHBondContact O-N 3.24Å
570	P	21.2	Very low	24	Very low	105 Å²	105	128.2 Å²	128.2	68%	0.682	75%	0.752	S	S	*	*			trans	-63.5	128.5	178.2	-16.1	28.6	0	0	0	109.2	S568 V572	S568-P570 WeakPolarHBondContact O-CD 3.44Å; P570-V572 PolarHBondContact O-N 3.33Å
571	V	22.6	Very low	23.7	Very low	126 Å²	126	128.4 Å²	128.4	76%	0.764	76%	0.76	S	S	*	*			trans	-56.8	104.4	164.9	177.6	0	0	0	0	106.7	I569 N573	I569-V571 PolarHBondContact O-N 3.24Å; V571-N573 VanDerWaalsContact C-N 3.34Å; V571-N573 PolarHBondContact O-N 3.42Å
572	V	22.1	Very low	23.5	Very low	122 Å²	122	132 Å²	132	74%	0.739	77%	0.773	S	S	*	*			trans	-67.3	100.2	172	177.3	0	0	0	0	106.3	P570 S574	P570-V572 PolarHBondContact O-N 3.33Å; V572-S574 PolarHBondContact O-N 2.96Å
573	N	22.8	Very low	23.6	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	78%	0.78	S	S	*	*			trans	-61.7	90.1	160.4	-79.8	-17.7	0	0	0	107.1	V571 L575	V571-N573 VanDerWaalsContact C-N 3.34Å; V571-N573 PolarHBondContact O-N 3.42Å; N573-L575 PolarHBondContact O-N 3.23Å
574	S	24.8	Very low	23.9	Very low	112 Å²	112	132.2 Å²	132.2	78%	0.783	78%	0.778	S	S	*	*			trans	-75.4	61	173	50.7	0	0	0	0	110.6	V572	V572-S574 PolarHBondContact O-N 2.96Å
575	L	22.7	Very low	24.1	Very low	155 Å²	155	129.7 Å²	129.7	81%	0.812	78%	0.778	S	S	*	*			trans	-119.5	76.8	155.6	-84	160.3	0	0	0	105.8	N573	N573-L575 PolarHBondContact O-N 3.23Å
576	N	23.1	Very low	24.2	Very low	162 Å²	162	130 Å²	130	87%	0.866	77%	0.771	S	S	*	*			trans	-176.8	103.2	149.2	-89.4	-18.7	0	0	0	109
577	A	23.3	Very low	24.4	Very low	94 Å²	94	128.3 Å²	128.3	78%	0.777	76%	0.763	S	S	*	*			trans	-61.1	131.4	163.3	0	0	0	0	0	110
578	T	23.7	Very low	24.6	Very low	136 Å²	136	127.4 Å²	127.4	83%	0.834	77%	0.765	S	S	*	*				161.7	93.7	129	28.7	0	0	0	0	110.1
579	S	25	Very low	24.7	Very low	114 Å²	114	130.8 Å²	130.8	80%	0.797	77%	0.765	S	S	*	*			trans	175.9	85.8	140.9	34.9	0	0	0	0	107.4	P581	S579-P581 WeakPolarHBondContact O-CD 3.28Å
580	C	22.9	Very low	24.8	Very low	122 Å²	122	132.9 Å²	132.9	82%	0.824	77%	0.769	S	S	*	*			trans	-64.9	122.2	163.4	-65.8	0	0	0	0	107.7
581	P	26	Very low	25.1	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	77%	0.773	S	S	*	*			trans	-72	136.5	165.1	-5.9	23.3	0	0	0	108.5	S579 I583	S579-P581 WeakPolarHBondContact O-CD 3.28Å; P581-I583 PolarHBondContact O-N 3.14Å
582	D	22.9	Very low	25.2	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	78%	0.775	S	S	*	*			trans	-45.2	113.9	-177.4	-71.5	-54.8	0	0	0	113.8	T584	D582-T584 PolarHBondContact O-N 3.34Å
583	I	27.4	Very low	25.3	Very low	157 Å²	157	136.1 Å²	136.1	81%	0.805	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	60.2	174.1	-55.9	167.3	0	0	0	109	P581	P581-I583 PolarHBondContact O-N 3.14Å
584	T	27.8	Very low	25.4	Very low	110 Å²	110	135.9 Å²	135.9	68%	0.675	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-1.4	171.6	35.4	0	0	0	0	114.3	D582	D582-T584 PolarHBondContact O-N 3.34Å
585	T	28.1	Very low	25.4	Very low	129 Å²	129	135 Å²	135	79%	0.791	77%	0.767	S	S	*	*	S	Bend	trans	-113	5.1	-178.4	-19.9	0	0	0	0	115.6
586	I	27.4	Very low	25.5	Very low	141 Å²	141	134.6 Å²	134.6	72%	0.723	77%	0.766	S	S	*	*	S	Bend	trans	-119.4	32.1	174.3	-40	-179.9	0	0	0	111.5
587	S	28.4	Very low	25.5	Very low	79 Å²	79	132.4 Å²	132.4	55%	0.552	75%	0.75	S	S	*	*	S	Bend	trans	-84.8	-7.6	170.7	51.7	0	0	0	0	113.8
588	N	27.1	Very low	25.6	Very low	152 Å²	152	135.5 Å²	135.5	81%	0.813	75%	0.746	S	S	*	*	S	Bend	trans	-107.8	17.2	-174.5	-79.9	-11	0	0	0	116.5
589	K	26.7	Very low	25.5	Very low	184 Å²	184	134.9 Å²	134.9	80%	0.8	73%	0.734	S	S	*	*			trans	-126.4	22.6	168.2	-78.9	-169.9	176.5	-177.6	0	114.7	A591	K589-A591 PolarHBondContact O-N 3.11Å
590	K	25.7	Very low	25.4	Very low	188 Å²	188	132.9 Å²	132.9	82%	0.817	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	9.6	170.6	-96	-173.7	175.4	-176.4	0	115.2
591	A	26.7	Very low	25.5	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	5.1	-173.2	0	0	0	0	0	115.8	K589	K589-A591 PolarHBondContact O-N 3.11Å
592	Q	24.7	Very low	25.4	Very low	171 Å²	171	128.5 Å²	128.5	80%	0.799	68%	0.68	S	S	*	*			trans	-137.7	62.9	174.3	-73.8	-177.5	-8.6	0	0	111.4	L594	Q592-L594 PolarHBondContact O-N 2.74Å; Q592-L594 VanDerWaalsContact O-N 3.1Å
593	I	24.8	Very low	25.5	Very low	156 Å²	156	123.8 Å²	123.8	80%	0.8	66%	0.657	S	S	*	*			trans	-76.3	84.9	156.4	-58.4	172.4	0	0	0	105.4	P595	I593-P595 WeakPolarHBondContact O-CD 3.34Å
594	L	23.7	Very low	25.5	Very low	137 Å²	137	120 Å²	120	72%	0.717	64%	0.641	S	S	*	*			trans	-80.9	116.4	165.6	-123.5	91.2	0	0	0	106.6	Q592 N596	Q592-L594 PolarHBondContact O-N 2.74Å; Q592-L594 VanDerWaalsContact O-N 3.1Å; L594-N596 PolarHBondContact O-N 2.9Å
595	P	25.8	Very low	25.4	Very low	93 Å²	93	121.5 Å²	121.5	60%	0.604	64%	0.64	S	S	*	*			trans	-66.3	121.1	-177.2	24.4	-31.9	0	0	0	110.1	I593 H597	I593-P595 WeakPolarHBondContact O-CD 3.34Å; P595-H597 PolarHBondContact O-N 2.65Å; P595-H597 PolarHBondContact O-ND1 3.37Å
596	N	24.9	Very low	25.2	Very low	148 Å²	148	121.2 Å²	121.2	79%	0.791	63%	0.633	S	S	*	*			trans	-26.6	96	172.1	-72.4	-16.2	0	0	0	112	L594 F598	L594-N596 PolarHBondContact O-N 2.9Å; N596-F598 VanDerWaalsContact C-N 3.3Å; N596-F598 PolarHBondContact O-N 2.73Å
597	H	22.7	Very low	25.2	Very low	116 Å²	116	119.2 Å²	119.2	54%	0.537	63%	0.629	S	S	.	*			trans	-76	84.1	174.1	-85.5	24.3	0	0	0	108.6	P595 E599	P595-H597 PolarHBondContact O-N 2.65Å; P595-H597 PolarHBondContact O-ND1 3.37Å; H597-E599 VanDerWaalsContact C-N 3.34Å; H597-E599 PolarHBondContact O-N 3.44Å
598	F	24.9	Very low	25.1	Very low	158 Å²	158	121 Å²	121	69%	0.693	64%	0.638	S	S	*	*			trans	-74.3	94.6	153	-83.9	-85.3	0	0	0	107.5	A348 N596 C600	A348-F598 HydrophobicContact CB-CZ 4.11Å; N596-F598 VanDerWaalsContact C-N 3.3Å; N596-F598 PolarHBondContact O-N 2.73Å; F598-C600 PolarHBondContact O-N 2.94Å; F598-C600 VanDerWaalsContact O-N 3.11Å
599	E	22.5	Very low	25.1	Very low	124 Å²	124	120.8 Å²	120.8	58%	0.579	64%	0.636	S	S	*	*			trans	-73.1	91	170.6	-81.1	-174.5	153.2	0	0	110.1	H597	H597-E599 VanDerWaalsContact C-N 3.34Å; H597-E599 PolarHBondContact O-N 3.44Å
600	C	22.8	Very low	25.2	Very low	71 Å²	71	117.3 Å²	117.3	48%	0.48	63%	0.63	S	S	.	*			trans	-80.7	114.5	155.4	-68.2	0	0	0	0	108.2	R188 F598	R188-C600 PolarHBondContact NH2-O 2.79Å; F598-C600 PolarHBondContact O-N 2.94Å; F598-C600 VanDerWaalsContact O-N 3.11Å
601	I	23.8	Very low	25.3	Very low	95 Å²	95	114.5 Å²	114.5	49%	0.487	63%	0.628	S	S	.	*			trans	-109.4	121.6	164.1	-61.4	178.7	0	0	0	107.1
602	D	25.4	Very low	25.5	Very low	50 Å²	50	117.2 Å²	117.2	27%	0.267	63%	0.625	S	S	.	*			trans	-78	129.2	-169.7	-154	-16.1	0	0	0	111.2	Y316 T604	Y316-D602 WeakPolarHBondContact CD1-OD1 3.49Å; Y316-D602 WeakPolarHBondContact CE1-OD1 3.35Å; D602-T604 PolarHBondContact O-N 3Å
603	V	25.4	Very low	25.7	Very low	46 Å²	46	116.1 Å²	116.1	28%	0.279	63%	0.625	S	S	.	*			trans	-84.7	88.5	-175.2	-175.7	0	0	0	0	109.6	V541 F542	V541-V603 HydrophobicContact CG1-CG1 4.41Å; V541-V603 VanDerWaalsContact O-CG1 3.28Å; V541-V603 WeakPolarHBondContact O-CG1 3.36Å; V541-V603 VanDerWaalsContact O-CG2 3.3Å; V541-V603 WeakPolarHBondContact O-CG2 3.23Å; F542-V603 HydrophobicContact CD1-CG2 4.01Å
604	T	26	Very low	25.8	Very low	77 Å²	77	119.8 Å²	119.8	47%	0.472	63%	0.63	S	S	.	*			trans	-136.4	77.2	158.2	60.4	0	0	0	0	109.1	D602	D602-T604 PolarHBondContact O-N 3Å
605	E	25.1	Very low	26.1	Very low	142 Å²	142	118 Å²	118	66%	0.664	63%	0.629	S	S	*	*			trans	-179.7	86.1	148.8	-99.9	161	-141.3	0	0	107.4	P607	E605-P607 WeakPolarHBondContact O-CD 3.38Å
606	I	25.4	Very low	26.2	Very low	123 Å²	123	122.1 Å²	122.1	63%	0.631	64%	0.64	S	S	*	*			trans	-80.4	106.6	153.6	-60.5	173.6	0	0	0	103.8
607	P	26.5	Very low	26.4	Very low	100 Å²	100	124.9 Å²	124.9	65%	0.649	65%	0.645	S	S	*	*			trans	-60.3	143.5	172.9	24.4	-30.9	0	0	0	108.6	E605 I609	E605-P607 WeakPolarHBondContact O-CD 3.38Å; P607-I609 PolarHBondContact O-N 3.11Å
608	P	26.7	Very low	26.6	Very low	115 Å²	115	128.2 Å²	128.2	75%	0.747	67%	0.666	S	S	*	*			trans	-57.1	133.3	-178.4	22.9	-31.4	0	0	0	109.6	V610	P608-V610 PolarHBondContact O-N 3.28Å
609	I	27.8	Very low	26.7	Very low	149 Å²	149	125.3 Å²	125.3	76%	0.764	67%	0.665	S	S	*	*			trans	-57.2	104.3	172	-63.5	168.4	0	0	0	106.6	P607 T611	P607-I609 PolarHBondContact O-N 3.11Å; I609-T611 VanDerWaalsContact C-N 3.35Å; I609-T611 HydrophobicContact CG2-CG2 4.33Å; I609-T611 PolarHBondContact O-N 3.3Å
610	V	28.6	Very low	27	Very low	111 Å²	111	127.3 Å²	127.3	67%	0.673	68%	0.68	S	S	*	*			trans	-68.7	102	164.8	-179.5	0	0	0	0	105.4	P608 E612	P608-V610 PolarHBondContact O-N 3.28Å; V610-E612 HydrophobicContact CG1-CB 4.46Å; V610-E612 HydrophobicContact CG1-CG 3.93Å; V610-E612 PolarHBondContact O-N 2.94Å
611	T	27.8	Very low	27.2	Very low	128 Å²	128	129 Å²	129	79%	0.785	69%	0.693	S	S	*	*			trans	-67.9	81	167.7	43	0	0	0	0	108.4	I609	I609-T611 VanDerWaalsContact C-N 3.35Å; I609-T611 HydrophobicContact CG2-CG2 4.33Å; I609-T611 PolarHBondContact O-N 3.3Å
612	E	29.6	Very low	27.7	Very low	152 Å²	152	129.2 Å²	129.2	71%	0.71	70%	0.7	S	S	*	*			trans	-97.8	124.4	161.6	-88.2	179.9	-170.2	0	0	109.3	V610 Y614	V610-E612 HydrophobicContact CG1-CB 4.46Å; V610-E612 HydrophobicContact CG1-CG 3.93Å; V610-E612 PolarHBondContact O-N 2.94Å; E612-Y614 PolarHBondContact O-N 3.31Å
613	N	28.6	Very low	27.8	Very low	148 Å²	148	135 Å²	135	79%	0.791	73%	0.725	S	S	*	*			trans	-55.4	102.4	-174.5	-68.7	-40.1	0	0	0	112.1	S615	N613-S615 VanDerWaalsContact C-N 3.28Å; N613-S615 PolarHBondContact O-N 3.05Å
614	Y	27.6	Very low	27.8	Very low	232 Å²	232	141.2 Å²	141.2	91%	0.91	75%	0.749	S	S	*	*			trans	-92.5	54.7	163.9	-88.6	-86.3	0	0	0	111	E612	E612-Y614 PolarHBondContact O-N 3.31Å
615	S	29.6	Very low	27.9	Very low	99 Å²	99	144.6 Å²	144.6	69%	0.692	76%	0.764	S	S	*	*			trans	-108.9	9	171.8	30.9	0	0	0	0	113.8	N613	N613-S615 VanDerWaalsContact C-N 3.28Å; N613-S615 PolarHBondContact O-N 3.05Å
616	E	28.9	Very low	28.1	Very low	180 Å²	180	145.3 Å²	145.3	84%	0.841	77%	0.772	S	S	*	*	S	Bend	trans	-132.1	84.4	173.7	-74.8	-172.4	166.9	0	0	111.4
617	K	28.7	Very low	28.1	Very low	206 Å²	206	149.1 Å²	149.1	90%	0.896	79%	0.787	S	S	*	*			trans	177.5	63.1	145.5	-97.1	163.9	-172.8	-178.4	0	109.4
618	L	26.1	Very low	28	Very low	186 Å²	186	148.8 Å²	148.8	97%	0.974	79%	0.788	S	S	*	*			trans	-122.5	60.2	164.9	-129.9	121	0	0	0	108.5
619	S	27.7	Very low	28	Very low	97 Å²	97	151 Å²	151	68%	0.678	79%	0.792	S	S	*	*			trans	-156.7	86.7	169.4	63.7	0	0	0	0	109.2
620	N	29.3	Very low	27.7	Very low	166 Å²	166	151.1 Å²	151.1	89%	0.888	79%	0.794	S	S	*	*			trans	166.7	107.7	140.4	-81.6	-14.2	0	0	0	110.1
621	S	26.1	Very low	27.5	Very low	107 Å²	107	155.7 Å²	155.7	75%	0.748	81%	0.806	S	S	*	*			trans	-53.2	165.7	151.2	152.9	0	0	0	0	111
622	P	34.3	Very low	27.2	Very low	99 Å²	99	161.3 Å²	161.3	64%	0.643	81%	0.812	S	S	*	*			cis	-138.6	172.3	15	14.7	13.2	0	0	0	117.7
623	H	27.8	Very low	27.1	Very low	171 Å²	171	157.2 Å²	157.2	79%	0.792	81%	0.811	S	S	*	*			trans	71.2	122.8	143.3	-76.4	-58	0	0	0	123.4
624	K	26.6	Very low	26.8	Very low	178 Å²	178	161.5 Å²	161.5	77%	0.774	82%	0.816	S	S	*	*			trans	77.7	108.6	140.6	-75	-174.2	172.4	-175.2	0	120.2
625	D	26.3	Very low	26.7	Very low	147 Å²	147	161 Å²	161	79%	0.786	81%	0.814	S	S	*	*				31.1	101.1	124.5	-55.6	-31.6	0	0	0	118
626	D	30.1	Very low	26.7	Very low	157 Å²	157	161.8 Å²	161.8	84%	0.84	82%	0.82	S	S	*	*				-170.1	90.7	124.9	-99.1	-22.1	0	0	0	109.1	S628	D626-S628 PolarHBondContact O-N 3.34Å; D626-S628 VanDerWaalsContact O-N 3.08Å
627	Q	26.2	Very low	26.4	Very low	203 Å²	203	161.7 Å²	161.7	95%	0.949	82%	0.819	S	S	*	*			trans	-74.7	89.4	169.4	-71.3	-178.5	-1.9	0	0	109.3
628	S	24.4	Very low	26.3	Very low	94 Å²	94	163.5 Å²	163.5	66%	0.657	82%	0.82	S	S	*	*			trans	-118.1	68.9	162.1	58.5	0	0	0	0	110.4	D626 N630	D626-S628 PolarHBondContact O-N 3.34Å; D626-S628 VanDerWaalsContact O-N 3.08Å; S628-N630 PolarHBondContact O-N 2.83Å
629	L	25.8	Very low	26.4	Very low	161 Å²	161	158.3 Å²	158.3	84%	0.843	81%	0.812	S	S	*	*			trans	-83.4	88.5	167.3	-97.1	147.7	0	0	0	109.1	F631	L629-F631 PolarHBondContact O-N 3.18Å
630	N	21.9	Very low	26.5	Very low	151 Å²	151	166.6 Å²	166.6	81%	0.807	84%	0.843	S	S	*	*			trans	-50.9	110	171	-79.6	-48.4	0	0	0	111.9	S628	S628-N630 PolarHBondContact O-N 2.83Å
631	F	23.7	Very low	26.3	Very low	208 Å²	208	166.6 Å²	166.6	91%	0.912	84%	0.841	S	S	*	*			trans	-84.1	113.5	164.9	-99.4	-87.8	0	0	0	110.6	L629 G633	L629-F631 PolarHBondContact O-N 3.18Å; F631-G633 PolarHBondContact O-N 2.79Å; F631-G633 VanDerWaalsContact O-N 3.14Å
632	R	22.4	Very low	26.3	Very low	245 Å²	245	169.7 Å²	169.7	93%	0.925	85%	0.846	S	S	*	*			trans	-80.2	81.8	-175.2	-158.2	-178.3	-164.9	-177.1	5.5	110.4
633	G	26.2	Very low	25.9	Very low	67 Å²	67	173.7 Å²	173.7	69%	0.691	86%	0.857	S	S	*	*			trans	-100.9	106.5	168	0	0	0	0	0	110.5	F631 Y635	F631-G633 PolarHBondContact O-N 2.79Å; F631-G633 VanDerWaalsContact O-N 3.14Å; G633-Y635 PolarHBondContact O-N 3.39Å
634	R	23.5	Very low	25.8	Very low	237 Å²	237	173.8 Å²	173.8	89%	0.894	86%	0.861	S	S	*	*			trans	-59.9	119	-177.3	-66.6	178.2	-167.1	170.4	3.8	111.5	S636	R634-S636 PolarHBondContact O-N 2.83Å
635	Y	25.4	Very low	25.7	Very low	223 Å²	223	173.6 Å²	173.6	88%	0.875	87%	0.867	S	S	*	*			trans	-67.6	118.9	147.2	-87.2	-93.8	0	0	0	108.1	G633	G633-Y635 PolarHBondContact O-N 3.39Å
636	S	28.8	Very low	25.7	Very low	115 Å²	115	175.3 Å²	175.3	80%	0.804	87%	0.872	S	S	*	*			trans	-100.2	77.6	165.6	176.7	0	0	0	0	108.2	R634 R638	R634-S636 PolarHBondContact O-N 2.83Å; S636-R638 PolarHBondContact O-N 3.01Å
637	E	22.8	Very low	25.4	Very low	177 Å²	177	176.6 Å²	176.6	83%	0.827	87%	0.874	S	S	*	*			trans	-76.7	111.1	153.6	-76.6	-174.3	164.2	0	0	107.9
638	R	26.6	Very low	25.3	Very low	244 Å²	244	174.6 Å²	174.6	92%	0.921	87%	0.868	S	S	*	*			trans	-162.3	104.3	150.7	-111	-179.6	-162	-161.4	4.3	110.7	S636	S636-R638 PolarHBondContact O-N 3.01Å
639	G	27.9	Very low	25.4	Very low	78 Å²	78	181.3 Å²	181.3	80%	0.804	89%	0.886	S	S	*	*				98.1	77.7	127.8	0	0	0	0	0	117.6
640	M	29.7	Very low	25.3	Very low	270 Å²	270	183.2 Å²	183.2	100%	1.33	89%	0.89	S	S	*	*				-146.9	0	108.9	-111.3	-178.6	168.5	0	0	109.8

Retrieved 640 of 640 residues in 271.8 ms (Link to these results)

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